NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
524460 | 2l4z | 17265 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H SER 641 1H SER 641 55.161 3.672 -8.927 2 HA SER 641 HA SER 641 53.960 4.252 -6.589 3 HB2 SER 641 2HB SER 641 52.097 4.627 -8.724 4 HB3 SER 641 1HB SER 641 53.169 5.819 -7.985 5 HG SER 641 HG SER 641 53.296 4.897 -10.424 6 H LEU 642 H LEU 642 51.801 3.971 -5.783 7 HA LEU 642 HA LEU 642 50.394 1.567 -6.707 8 HB2 LEU 642 2HB LEU 642 51.860 1.745 -4.278 9 HB3 LEU 642 1HB LEU 642 50.157 1.713 -3.867 10 HG LEU 642 HG LEU 642 51.107 -0.307 -5.825 11 HD11 LEU 642 1HD1 LEU 642 52.019 -1.759 -4.188 12 HD12 LEU 642 2HD1 LEU 642 52.845 -0.209 -4.008 13 HD13 LEU 642 3HD1 LEU 642 51.572 -0.667 -2.875 14 HD21 LEU 642 3HD2 LEU 642 48.756 -0.165 -5.171 15 HD22 LEU 642 1HD2 LEU 642 49.476 -1.689 -4.647 16 HD23 LEU 642 2HD2 LEU 642 49.210 -0.393 -3.480 17 H GLN 643 H GLN 643 49.924 4.378 -7.075 18 HA GLN 643 HA GLN 643 47.585 4.926 -5.421 19 HB2 GLN 643 2HB GLN 643 49.019 6.581 -7.511 20 HB3 GLN 643 1HB GLN 643 47.572 7.107 -6.662 21 HG2 GLN 643 2HG GLN 643 49.052 8.076 -5.285 22 HG3 GLN 643 1HG GLN 643 49.130 6.469 -4.565 23 HE21 GLN 643 1HE2 GLN 643 51.017 8.896 -5.282 24 HE22 GLN 643 2HE2 GLN 643 52.461 8.079 -5.796 25 H ASN 644 H ASN 644 46.731 2.902 -6.504 26 HA ASN 644 HA ASN 644 45.335 3.623 -8.989 27 HB2 ASN 644 2HB ASN 644 47.400 1.844 -8.931 28 HB3 ASN 644 1HB ASN 644 46.028 0.774 -8.656 29 HD21 ASN 644 1HD2 ASN 644 47.892 2.304 -10.948 30 HD22 ASN 644 2HD2 ASN 644 46.849 2.090 -12.318 31 H ASN 645 H ASN 645 43.874 4.128 -6.977 32 HA ASN 645 HA ASN 645 41.756 2.269 -7.031 33 HB2 ASN 645 2HB ASN 645 43.351 1.077 -5.450 34 HB3 ASN 645 1HB ASN 645 43.087 2.404 -4.320 35 HD21 ASN 645 1HD2 ASN 645 42.059 1.209 -2.763 36 HD22 ASN 645 2HD2 ASN 645 40.502 0.487 -2.988 37 H GLN 646 H GLN 646 40.429 3.953 -7.407 38 HA GLN 646 HA GLN 646 39.920 5.692 -5.101 39 HB2 GLN 646 2HB GLN 646 40.876 6.570 -7.602 40 HB3 GLN 646 1HB GLN 646 39.169 6.994 -7.564 41 HG2 GLN 646 2HG GLN 646 40.663 7.635 -5.116 42 HG3 GLN 646 1HG GLN 646 41.162 8.523 -6.553 43 HE21 GLN 646 1HE2 GLN 646 40.181 10.003 -4.603 44 HE22 GLN 646 2HE2 GLN 646 38.572 10.545 -4.952 45 H ASP 647 H ASP 647 37.648 6.776 -5.484 46 HA ASP 647 HA ASP 647 35.801 4.595 -5.792 47 HB2 ASP 647 2HB ASP 647 35.577 6.398 -4.044 48 HB3 ASP 647 1HB ASP 647 35.128 7.504 -5.341 49 H VAL 648 H VAL 648 34.761 4.052 -7.575 50 HA VAL 648 HA VAL 648 34.501 6.053 -9.703 51 HB VAL 648 HB VAL 648 36.533 4.534 -9.988 52 HG11 VAL 648 1HG1 VAL 648 35.390 2.417 -11.360 53 HG12 VAL 648 2HG1 VAL 648 36.194 2.347 -9.790 54 HG13 VAL 648 3HG1 VAL 648 34.442 2.540 -9.877 55 HG21 VAL 648 3HG2 VAL 648 34.536 5.370 -11.921 56 HG22 VAL 648 1HG2 VAL 648 36.295 5.491 -11.982 57 HG23 VAL 648 2HG2 VAL 648 35.495 4.000 -12.480 58 H SER 649 H SER 649 32.995 3.794 -7.793 59 HA SER 649 HA SER 649 30.653 3.834 -9.511 60 HB2 SER 649 2HB SER 649 31.711 1.203 -8.453 61 HB3 SER 649 1HB SER 649 30.311 1.445 -9.498 62 HG SER 649 HG SER 649 32.267 2.591 -10.754 63 H PHE 650 H PHE 650 30.925 5.277 -7.216 64 HA PHE 650 HA PHE 650 28.729 4.230 -5.708 65 HB2 PHE 650 2HB PHE 650 30.953 3.192 -4.765 66 HB3 PHE 650 1HB PHE 650 31.103 4.761 -3.977 67 HD1 PHE 650 1HD PHE 650 28.339 2.333 -4.618 68 HD2 PHE 650 2HD PHE 650 30.398 4.765 -1.795 69 HE1 PHE 650 1HE PHE 650 26.792 1.591 -2.851 70 HE2 PHE 650 2HE PHE 650 28.858 4.025 -0.030 71 HZ PHE 650 HZ PHE 650 27.054 2.437 -0.552 72 H GLU 651 H GLU 651 31.093 6.315 -4.161 73 HA GLU 651 HA GLU 651 28.902 8.093 -3.614 74 HB2 GLU 651 2HB GLU 651 30.627 9.318 -2.228 75 HB3 GLU 651 1HB GLU 651 30.282 7.661 -1.761 76 HG2 GLU 651 2HG GLU 651 32.331 6.893 -2.479 77 HG3 GLU 651 1HG GLU 651 32.576 8.251 -3.575 78 H ASN 652 H ASN 652 31.527 8.105 -5.865 79 HA ASN 652 HA ASN 652 31.721 10.890 -6.278 80 HB2 ASN 652 2HB ASN 652 33.384 9.434 -7.259 81 HB3 ASN 652 1HB ASN 652 32.159 8.606 -8.216 82 HD21 ASN 652 1HD2 ASN 652 32.366 9.125 -10.282 83 HD22 ASN 652 2HD2 ASN 652 32.682 10.713 -10.895 84 H ILE 653 H ILE 653 29.383 8.524 -7.305 85 HA ILE 653 HA ILE 653 27.916 10.645 -8.736 86 HB ILE 653 HB ILE 653 27.140 7.831 -9.235 87 HG12 ILE 653 2HG1 ILE 653 29.192 8.492 -11.121 88 HG13 ILE 653 1HG1 ILE 653 29.865 8.589 -9.495 89 HG21 ILE 653 1HG2 ILE 653 25.990 9.694 -10.296 90 HG22 ILE 653 2HG2 ILE 653 27.505 10.239 -11.016 91 HG23 ILE 653 3HG2 ILE 653 26.803 8.695 -11.501 92 HD11 ILE 653 3HD1 ILE 653 28.653 6.272 -9.224 93 HD12 ILE 653 1HD1 ILE 653 28.810 6.251 -10.980 94 HD13 ILE 653 2HD1 ILE 653 30.247 6.397 -9.970 95 H GLN 654 H GLN 654 27.551 10.812 -6.166 96 HA GLN 654 HA GLN 654 25.493 9.037 -5.195 97 HB2 GLN 654 2HB GLN 654 27.156 11.206 -4.084 98 HB3 GLN 654 1HB GLN 654 25.549 11.063 -3.385 99 HG2 GLN 654 2HG GLN 654 26.273 8.495 -3.315 100 HG3 GLN 654 1HG GLN 654 27.863 9.245 -3.213 101 HE21 GLN 654 1HE2 GLN 654 24.896 8.609 -1.612 102 HE22 GLN 654 2HE2 GLN 654 25.323 9.296 -0.078 103 H TRP 655 H TRP 655 24.053 9.540 -7.030 104 HA TRP 655 HA TRP 655 22.592 12.054 -6.656 105 HB2 TRP 655 2HB TRP 655 21.623 11.720 -8.812 106 HB3 TRP 655 1HB TRP 655 23.341 11.390 -8.967 107 HD1 TRP 655 HD TRP 655 23.778 8.487 -8.533 108 HE1 TRP 655 1HE TRP 655 22.576 6.631 -9.858 109 HE3 TRP 655 3HE TRP 655 19.716 11.148 -10.123 110 HZ2 TRP 655 2HZ TRP 655 20.204 6.349 -11.379 111 HZ3 TRP 655 3HZ TRP 655 18.027 10.019 -11.506 112 HH2 TRP 655 HH TRP 655 18.265 7.668 -12.122 113 H SER 656 H SER 656 20.309 12.047 -6.394 114 HA SER 656 HA SER 656 19.427 9.967 -4.636 115 HB2 SER 656 2HB SER 656 17.330 11.782 -5.409 116 HB3 SER 656 1HB SER 656 18.138 11.619 -3.849 117 HG SER 656 HG SER 656 18.749 13.593 -4.401 118 H ILE 657 H ILE 657 18.053 8.319 -5.045 119 HA ILE 657 HA ILE 657 17.078 8.072 -7.817 120 HB ILE 657 HB ILE 657 16.915 5.576 -7.201 121 HG12 ILE 657 2HG1 ILE 657 19.193 5.933 -5.373 122 HG13 ILE 657 1HG1 ILE 657 17.646 6.457 -4.715 123 HG21 ILE 657 1HG2 ILE 657 18.571 5.594 -8.671 124 HG22 ILE 657 2HG2 ILE 657 19.074 7.206 -8.158 125 HG23 ILE 657 3HG2 ILE 657 19.704 5.780 -7.331 126 HD11 ILE 657 3HD1 ILE 657 18.541 3.735 -5.520 127 HD12 ILE 657 1HD1 ILE 657 17.725 4.267 -4.049 128 HD13 ILE 657 2HD1 ILE 657 16.823 4.138 -5.559 129 H ASP 658 H ASP 658 15.082 6.751 -8.059 130 HA ASP 658 HA ASP 658 12.967 7.797 -6.477 131 HB2 ASP 658 2HB ASP 658 13.250 6.078 -8.827 132 HB3 ASP 658 1HB ASP 658 11.917 5.584 -7.789 133 HA PRO 659 HA PRO 659 12.898 4.927 -3.143 134 HB2 PRO 659 2HB PRO 659 10.007 5.243 -2.905 135 HB3 PRO 659 1HB PRO 659 11.284 5.821 -1.833 136 HG2 PRO 659 2HG PRO 659 9.785 7.481 -3.360 137 HG3 PRO 659 1HG PRO 659 11.466 7.832 -2.923 138 HD2 PRO 659 2HD PRO 659 10.357 6.748 -5.486 139 HD3 PRO 659 1HD PRO 659 11.636 7.955 -5.233 140 H GLY 660 H GLY 660 13.175 3.311 -5.120 141 HA2 GLY 660 1HA GLY 660 12.738 0.936 -5.117 142 HA3 GLY 660 2HA GLY 660 11.061 1.291 -4.732 143 H ALA 661 H ALA 661 13.285 2.480 -7.228 144 HA ALA 661 HA ALA 661 11.190 2.160 -9.225 145 HB1 ALA 661 1HB ALA 661 13.776 3.609 -9.080 146 HB2 ALA 661 2HB ALA 661 13.198 3.116 -10.672 147 HB3 ALA 661 3HB ALA 661 12.201 4.156 -9.655 148 H ASP 662 H ASP 662 14.226 0.752 -8.254 149 HA ASP 662 HA ASP 662 14.327 -0.972 -10.593 150 HB2 ASP 662 2HB ASP 662 16.498 -1.466 -10.008 151 HB3 ASP 662 1HB ASP 662 16.335 0.124 -9.275 152 H LEU 663 H LEU 663 12.859 -0.958 -7.594 153 HA LEU 663 HA LEU 663 12.764 -3.867 -7.359 154 HB2 LEU 663 2HB LEU 663 11.546 -1.722 -5.610 155 HB3 LEU 663 1HB LEU 663 11.533 -3.441 -5.269 156 HG LEU 663 HG LEU 663 14.099 -1.896 -5.544 157 HD11 LEU 663 1HD1 LEU 663 12.843 -2.538 -2.906 158 HD12 LEU 663 2HD1 LEU 663 14.113 -1.374 -3.288 159 HD13 LEU 663 3HD1 LEU 663 12.443 -1.041 -3.749 160 HD21 LEU 663 3HD2 LEU 663 14.416 -4.242 -5.708 161 HD22 LEU 663 1HD2 LEU 663 14.885 -3.778 -4.074 162 HD23 LEU 663 2HD2 LEU 663 13.328 -4.550 -4.357 163 H SER 664 H SER 664 11.579 -2.588 -9.637 164 HA SER 664 HA SER 664 8.836 -2.063 -9.359 165 HB2 SER 664 2HB SER 664 9.436 -3.047 -11.981 166 HB3 SER 664 1HB SER 664 9.175 -1.379 -11.463 167 HG SER 664 HG SER 664 11.292 -1.071 -11.287 168 H GLN 665 H GLN 665 10.596 -5.038 -9.737 169 HA GLN 665 HA GLN 665 8.393 -6.615 -10.631 170 HB2 GLN 665 2HB GLN 665 10.955 -7.505 -9.294 171 HB3 GLN 665 1HB GLN 665 9.840 -8.535 -10.181 172 HG2 GLN 665 2HG GLN 665 11.310 -8.185 -11.846 173 HG3 GLN 665 1HG GLN 665 10.352 -6.723 -12.079 174 HE21 GLN 665 1HE2 GLN 665 11.850 -5.336 -12.802 175 HE22 GLN 665 2HE2 GLN 665 13.278 -4.888 -11.926 176 H TYR 666 H TYR 666 9.527 -5.552 -7.539 177 HA TYR 666 HA TYR 666 7.811 -7.460 -6.126 178 HB2 TYR 666 2HB TYR 666 9.684 -5.387 -4.968 179 HB3 TYR 666 1HB TYR 666 8.895 -6.702 -4.102 180 HD1 TYR 666 2HD TYR 666 9.452 -9.116 -5.011 181 HD2 TYR 666 1HD TYR 666 11.856 -5.671 -5.682 182 HE1 TYR 666 2HE TYR 666 11.394 -10.563 -5.438 183 HE2 TYR 666 1HE TYR 666 13.803 -7.105 -6.116 184 HH TYR 666 HH TYR 666 13.935 -9.813 -6.999 185 H LYS 667 H LYS 667 7.606 -4.502 -7.529 186 HA LYS 667 HA LYS 667 6.166 -3.068 -5.504 187 HB2 LYS 667 2HB LYS 667 7.577 -2.240 -7.615 188 HB3 LYS 667 1HB LYS 667 5.987 -2.278 -8.363 189 HG2 LYS 667 2HG LYS 667 5.131 -0.668 -6.886 190 HG3 LYS 667 1HG LYS 667 6.497 -0.836 -5.783 191 HD2 LYS 667 2HD LYS 667 7.976 0.069 -7.545 192 HD3 LYS 667 1HD LYS 667 6.560 0.320 -8.567 193 HE2 LYS 667 2HE LYS 667 6.074 2.234 -7.540 194 HE3 LYS 667 1HE LYS 667 6.153 1.464 -5.955 195 HZ1 LYS 667 3HZ LYS 667 7.756 3.301 -6.261 196 HZ2 LYS 667 1HZ LYS 667 8.524 2.398 -7.475 197 HZ3 LYS 667 2HZ LYS 667 8.494 1.821 -5.879 198 H MET 668 H MET 668 3.996 -2.560 -5.477 199 HA MET 668 HA MET 668 2.275 -4.064 -7.330 200 HB2 MET 668 2HB MET 668 0.681 -4.456 -5.612 201 HB3 MET 668 1HB MET 668 2.239 -4.885 -4.922 202 HG2 MET 668 2HG MET 668 1.553 -3.654 -3.191 203 HG3 MET 668 1HG MET 668 2.053 -2.288 -4.188 204 HE1 MET 668 3HE MET 668 0.403 -2.247 -1.842 205 HE2 MET 668 1HE MET 668 -0.989 -1.228 -2.204 206 HE3 MET 668 2HE MET 668 -1.209 -2.959 -1.939 207 H ASP 669 H ASP 669 0.301 -2.986 -7.929 208 HA ASP 669 HA ASP 669 0.617 -0.074 -7.839 209 HB2 ASP 669 2HB ASP 669 0.412 -1.134 -10.076 210 HB3 ASP 669 1HB ASP 669 -1.190 -1.714 -9.624 211 H VAL 670 H VAL 670 -0.529 0.972 -6.387 212 HA VAL 670 HA VAL 670 -2.842 -0.273 -5.178 213 HB VAL 670 HB VAL 670 -2.190 2.553 -4.543 214 HG11 VAL 670 1HG1 VAL 670 -3.663 0.466 -3.403 215 HG12 VAL 670 2HG1 VAL 670 -2.284 0.716 -2.331 216 HG13 VAL 670 3HG1 VAL 670 -3.357 2.062 -2.717 217 HG21 VAL 670 3HG2 VAL 670 -0.170 0.461 -4.486 218 HG22 VAL 670 1HG2 VAL 670 -0.003 2.203 -4.267 219 HG23 VAL 670 2HG2 VAL 670 -0.446 1.181 -2.900 220 H THR 671 H THR 671 -4.400 -0.325 -6.742 221 HA THR 671 HA THR 671 -5.163 2.116 -8.112 222 HB THR 671 HB THR 671 -6.672 -0.497 -8.244 223 HG1 THR 671 1HG THR 671 -4.119 0.114 -9.213 224 HG21 THR 671 3HG2 THR 671 -7.745 0.431 -9.981 225 HG22 THR 671 1HG2 THR 671 -6.247 1.042 -10.681 226 HG23 THR 671 2HG2 THR 671 -7.077 1.965 -9.430 227 H VAL 672 H VAL 672 -6.400 3.537 -7.091 228 HA VAL 672 HA VAL 672 -8.152 2.659 -4.933 229 HB VAL 672 HB VAL 672 -8.136 5.514 -5.732 230 HG11 VAL 672 1HG1 VAL 672 -9.328 4.536 -3.742 231 HG12 VAL 672 2HG1 VAL 672 -7.741 4.233 -3.033 232 HG13 VAL 672 3HG1 VAL 672 -8.249 5.885 -3.384 233 HG21 VAL 672 3HG2 VAL 672 -5.785 4.573 -4.151 234 HG22 VAL 672 1HG2 VAL 672 -5.719 4.508 -5.913 235 HG23 VAL 672 2HG2 VAL 672 -5.986 6.049 -5.095 236 H ILE 673 H ILE 673 -10.056 1.880 -5.599 237 HA ILE 673 HA ILE 673 -11.293 2.879 -8.022 238 HB ILE 673 HB ILE 673 -11.906 0.623 -6.139 239 HG12 ILE 673 2HG1 ILE 673 -12.028 -0.392 -8.632 240 HG13 ILE 673 1HG1 ILE 673 -10.968 0.979 -8.933 241 HG21 ILE 673 1HG2 ILE 673 -13.738 0.970 -8.420 242 HG22 ILE 673 2HG2 ILE 673 -14.050 0.364 -6.793 243 HG23 ILE 673 3HG2 ILE 673 -13.953 2.102 -7.085 244 HD11 ILE 673 3HD1 ILE 673 -9.376 0.171 -7.337 245 HD12 ILE 673 1HD1 ILE 673 -10.470 -1.119 -6.837 246 HD13 ILE 673 2HD1 ILE 673 -9.776 -1.131 -8.458 247 H ASP 674 H ASP 674 -12.733 4.454 -8.075 248 HA ASP 674 HA ASP 674 -13.740 5.507 -5.570 249 HB2 ASP 674 2HB ASP 674 -13.999 7.504 -6.629 250 HB3 ASP 674 1HB ASP 674 -12.827 6.795 -7.731 251 H THR 675 H THR 675 -15.786 5.472 -4.895 252 HA THR 675 HA THR 675 -17.672 3.802 -6.358 253 HB THR 675 HB THR 675 -18.915 4.640 -4.018 254 HG1 THR 675 1HG THR 675 -16.627 3.776 -2.864 255 HG21 THR 675 3HG2 THR 675 -17.218 2.182 -4.459 256 HG22 THR 675 1HG2 THR 675 -18.904 2.371 -4.936 257 HG23 THR 675 2HG2 THR 675 -18.468 2.369 -3.227 258 H LYS 676 H LYS 676 -18.921 4.834 -7.800 259 HA LYS 676 HA LYS 676 -19.349 7.669 -7.652 260 HB2 LYS 676 2HB LYS 676 -20.670 7.350 -9.722 261 HB3 LYS 676 1HB LYS 676 -19.065 6.640 -9.822 262 HG2 LYS 676 2HG LYS 676 -20.057 4.794 -10.544 263 HG3 LYS 676 1HG LYS 676 -20.643 4.570 -8.894 264 HD2 LYS 676 2HD LYS 676 -22.356 6.439 -10.153 265 HD3 LYS 676 1HD LYS 676 -22.135 5.091 -11.272 266 HE2 LYS 676 2HE LYS 676 -23.230 3.636 -9.942 267 HE3 LYS 676 1HE LYS 676 -22.592 4.348 -8.461 268 HZ1 LYS 676 3HZ LYS 676 -25.023 4.986 -9.940 269 HZ2 LYS 676 1HZ LYS 676 -24.207 6.292 -9.224 270 HZ3 LYS 676 2HZ LYS 676 -24.736 4.994 -8.265 271 H ASP 677 H ASP 677 -20.765 5.174 -6.062 272 HA ASP 677 HA ASP 677 -23.414 6.426 -5.997 273 HB2 ASP 677 2HB ASP 677 -22.713 3.767 -6.077 274 HB3 ASP 677 1HB ASP 677 -23.027 4.021 -4.364 275 H GLY 678 H GLY 678 -23.320 8.133 -4.634 276 HA2 GLY 678 1HA GLY 678 -23.834 8.447 -2.217 277 HA3 GLY 678 2HA GLY 678 -22.358 7.550 -1.900 278 H SER 679 H SER 679 -21.272 9.139 -4.362 279 HA SER 679 HA SER 679 -20.080 11.209 -2.759 280 HB2 SER 679 2HB SER 679 -19.742 10.977 -5.735 281 HB3 SER 679 1HB SER 679 -18.571 11.503 -4.525 282 HG SER 679 HG SER 679 -18.355 9.284 -5.468 283 H GLN 680 H GLN 680 -22.878 10.947 -4.558 284 HA GLN 680 HA GLN 680 -23.077 13.866 -4.855 285 HB2 GLN 680 2HB GLN 680 -24.982 11.876 -6.077 286 HB3 GLN 680 1HB GLN 680 -24.707 13.551 -6.536 287 HG2 GLN 680 2HG GLN 680 -23.581 12.554 -8.219 288 HG3 GLN 680 1HG GLN 680 -22.275 12.604 -7.036 289 HE21 GLN 680 1HE2 GLN 680 -22.197 10.807 -9.085 290 HE22 GLN 680 2HE2 GLN 680 -22.428 9.206 -8.465 291 H SER 681 H SER 681 -23.846 14.600 -2.956 292 HA SER 681 HA SER 681 -25.473 13.133 -1.197 293 HB2 SER 681 2HB SER 681 -25.730 16.019 -0.907 294 HB3 SER 681 1HB SER 681 -25.011 14.842 0.191 295 HG SER 681 HG SER 681 -23.726 16.617 -1.165 296 H LYS 682 H LYS 682 -26.212 15.016 -3.976 297 HA LYS 682 HA LYS 682 -28.980 15.471 -3.251 298 HB2 LYS 682 2HB LYS 682 -27.294 16.889 -4.772 299 HB3 LYS 682 1HB LYS 682 -28.026 15.903 -6.030 300 HG2 LYS 682 2HG LYS 682 -30.095 16.857 -5.767 301 HG3 LYS 682 1HG LYS 682 -29.789 17.313 -4.089 302 HD2 LYS 682 2HD LYS 682 -29.736 19.338 -5.249 303 HD3 LYS 682 1HD LYS 682 -28.034 18.916 -5.047 304 HE2 LYS 682 2HE LYS 682 -27.973 18.033 -7.317 305 HE3 LYS 682 1HE LYS 682 -29.685 18.403 -7.520 306 HZ1 LYS 682 3HZ LYS 682 -27.407 20.128 -7.734 307 HZ2 LYS 682 1HZ LYS 682 -28.613 20.768 -6.726 308 HZ3 LYS 682 2HZ LYS 682 -28.983 20.340 -8.323 309 H LEU 683 H LEU 683 -27.390 12.798 -4.201 310 HA LEU 683 HA LEU 683 -28.899 11.807 -6.363 311 HB2 LEU 683 2HB LEU 683 -26.762 10.923 -4.836 312 HB3 LEU 683 1HB LEU 683 -28.026 9.760 -4.485 313 HG LEU 683 HG LEU 683 -26.396 9.252 -6.404 314 HD11 LEU 683 1HD1 LEU 683 -29.294 8.883 -6.222 315 HD12 LEU 683 2HD1 LEU 683 -28.621 8.634 -7.831 316 HD13 LEU 683 3HD1 LEU 683 -28.009 7.704 -6.465 317 HD21 LEU 683 3HD2 LEU 683 -26.927 10.175 -8.560 318 HD22 LEU 683 1HD2 LEU 683 -28.238 11.135 -7.873 319 HD23 LEU 683 2HD2 LEU 683 -26.566 11.492 -7.445 320 H GLY 684 H GLY 684 -29.271 11.386 -2.865 321 HA2 GLY 684 1HA GLY 684 -32.038 11.394 -2.808 322 HA3 GLY 684 2HA GLY 684 -31.558 9.717 -3.035 323 H GLY 685 H GLY 685 -32.775 9.710 -0.869 324 HA2 GLY 685 1HA GLY 685 -31.231 10.705 1.381 325 HA3 GLY 685 2HA GLY 685 -32.767 9.855 1.461 326 H GLY 901 H GLY 901 -29.495 9.127 0.259 327 HA2 GLY 901 1HA GLY 901 -28.122 7.321 0.613 328 HA3 GLY 901 2HA GLY 901 -28.903 7.165 2.180 329 H GLY 902 H GLY 902 -29.479 5.110 2.428 330 HA2 GLY 902 1HA GLY 902 -30.582 3.662 0.120 331 HA3 GLY 902 2HA GLY 902 -29.997 2.935 1.609 332 H SER 903 H SER 903 -31.811 5.641 2.312 333 HA SER 903 HA SER 903 -34.136 3.960 2.942 334 HB2 SER 903 2HB SER 903 -34.076 6.612 4.166 335 HB3 SER 903 1HB SER 903 -34.263 5.029 4.922 336 HG SER 903 HG SER 903 -32.251 5.126 5.487 337 H GLY 904 H GLY 904 -33.346 7.277 1.898 338 HA2 GLY 904 1HA GLY 904 -36.027 7.765 0.955 339 HA3 GLY 904 2HA GLY 904 -34.642 8.835 0.779 340 H GLY 905 H GLY 905 -36.076 5.861 -0.456 341 HA2 GLY 905 1HA GLY 905 -36.321 5.994 -3.005 342 HA3 GLY 905 2HA GLY 905 -34.574 6.217 -2.969 343 H HIS 906 H HIS 906 -36.794 3.983 -3.629 344 HA HIS 906 HA HIS 906 -35.587 1.786 -2.130 345 HB2 HIS 906 2HB HIS 906 -38.017 1.915 -3.925 346 HB3 HIS 906 1HB HIS 906 -37.427 0.428 -3.189 347 HD1 HIS 906 1HD HIS 906 -36.794 1.828 -0.341 348 HD2 HIS 906 2HD HIS 906 -40.355 1.988 -2.491 349 HE1 HIS 906 1HE HIS 906 -38.620 2.333 1.335 350 H MET 907 H MET 907 -33.563 1.933 -3.233 351 HA MET 907 HA MET 907 -33.565 1.177 -6.052 352 HB2 MET 907 2HB MET 907 -31.527 2.328 -4.186 353 HB3 MET 907 1HB MET 907 -30.990 1.486 -5.633 354 HG2 MET 907 2HG MET 907 -33.027 3.279 -6.414 355 HG3 MET 907 1HG MET 907 -31.929 4.159 -5.352 356 HE1 MET 907 3HE MET 907 -31.432 5.764 -7.620 357 HE2 MET 907 1HE MET 907 -30.273 5.526 -6.313 358 HE3 MET 907 2HE MET 907 -29.733 5.475 -7.991 359 H GLY 908 H GLY 908 -34.384 -0.967 -5.510 360 HA2 GLY 908 1HA GLY 908 -32.903 -2.824 -3.982 361 HA3 GLY 908 2HA GLY 908 -34.087 -3.225 -5.221 362 H SER 909 H SER 909 -30.931 -3.532 -4.356 363 HA SER 909 HA SER 909 -29.938 -3.548 -7.114 364 HB2 SER 909 2HB SER 909 -28.263 -3.898 -4.631 365 HB3 SER 909 1HB SER 909 -27.752 -3.353 -6.229 366 HG SER 909 HG SER 909 -29.705 -1.834 -4.939 367 H GLY 910 H GLY 910 -29.339 -5.395 -8.127 368 HA2 GLY 910 1HA GLY 910 -30.133 -7.890 -6.909 369 HA3 GLY 910 2HA GLY 910 -29.515 -7.671 -8.540 370 H GLY 911 H GLY 911 -27.196 -6.139 -7.271 371 HA2 GLY 911 1HA GLY 911 -25.443 -8.403 -6.986 372 HA3 GLY 911 2HA GLY 911 -24.991 -6.708 -6.865 373 H LEU 18 H LEU 18 -25.293 -9.532 -5.172 374 HA LEU 18 HA LEU 18 -25.663 -8.098 -2.626 375 HB2 LEU 18 2HB LEU 18 -26.407 -10.857 -3.505 376 HB3 LEU 18 1HB LEU 18 -26.095 -10.548 -1.807 377 HG LEU 18 HG LEU 18 -28.211 -9.222 -3.504 378 HD11 LEU 18 1HD1 LEU 18 -28.511 -11.629 -2.694 379 HD12 LEU 18 2HD1 LEU 18 -28.626 -10.933 -1.078 380 HD13 LEU 18 3HD1 LEU 18 -29.788 -10.473 -2.321 381 HD21 LEU 18 3HD2 LEU 18 -27.184 -7.708 -1.809 382 HD22 LEU 18 1HD2 LEU 18 -28.895 -8.034 -1.537 383 HD23 LEU 18 2HD2 LEU 18 -27.675 -8.850 -0.559 384 H SER 19 H SER 19 -23.396 -9.587 -4.566 385 HA SER 19 HA SER 19 -21.696 -10.365 -2.306 386 HB2 SER 19 2HB SER 19 -20.486 -10.810 -4.888 387 HB3 SER 19 1HB SER 19 -20.920 -11.985 -3.647 388 HG SER 19 HG SER 19 -22.698 -12.450 -4.685 389 H TRP 20 H TRP 20 -21.918 -8.166 -5.024 390 HA TRP 20 HA TRP 20 -20.747 -6.337 -5.667 391 HB2 TRP 20 2HB TRP 20 -19.561 -6.073 -2.924 392 HB3 TRP 20 1HB TRP 20 -20.105 -4.811 -4.023 393 HD1 TRP 20 HD TRP 20 -23.057 -5.441 -4.515 394 HE1 TRP 20 1HE TRP 20 -24.797 -5.441 -2.618 395 HE3 TRP 20 3HE TRP 20 -19.909 -6.093 -0.536 396 HZ2 TRP 20 2HZ TRP 20 -24.825 -5.687 0.195 397 HZ3 TRP 20 3HZ TRP 20 -20.873 -6.198 1.724 398 HH2 TRP 20 HH TRP 20 -23.280 -5.997 2.080 399 H LYS 21 H LYS 21 -18.181 -6.262 -3.540 400 HA LYS 21 HA LYS 21 -16.481 -7.858 -5.343 401 HB2 LYS 21 2HB LYS 21 -15.575 -5.431 -3.786 402 HB3 LYS 21 1HB LYS 21 -14.682 -6.301 -5.025 403 HG2 LYS 21 2HG LYS 21 -17.282 -5.094 -5.795 404 HG3 LYS 21 1HG LYS 21 -15.918 -4.011 -5.512 405 HD2 LYS 21 2HD LYS 21 -14.834 -6.028 -7.060 406 HD3 LYS 21 1HD LYS 21 -16.449 -5.812 -7.738 407 HE2 LYS 21 2HE LYS 21 -15.995 -3.378 -7.912 408 HE3 LYS 21 1HE LYS 21 -14.350 -3.676 -7.351 409 HZ1 LYS 21 3HZ LYS 21 -14.224 -3.583 -9.678 410 HZ2 LYS 21 1HZ LYS 21 -15.602 -4.550 -9.895 411 HZ3 LYS 21 2HZ LYS 21 -14.163 -5.234 -9.316 412 H ARG 22 H ARG 22 -15.471 -9.510 -4.381 413 HA ARG 22 HA ARG 22 -15.801 -9.892 -1.544 414 HB2 ARG 22 2HB ARG 22 -16.103 -11.788 -3.022 415 HB3 ARG 22 1HB ARG 22 -14.482 -11.584 -3.673 416 HG2 ARG 22 2HG ARG 22 -13.779 -13.041 -2.163 417 HG3 ARG 22 1HG ARG 22 -14.133 -11.840 -0.920 418 HD2 ARG 22 2HD ARG 22 -16.466 -12.711 -0.839 419 HD3 ARG 22 1HD ARG 22 -15.980 -13.988 -1.953 420 HE ARG 22 HE ARG 22 -15.039 -13.660 0.821 421 HH11 ARG 22 2HH1 ARG 22 -15.387 -15.605 -2.074 422 HH12 ARG 22 1HH1 ARG 22 -14.855 -17.071 -1.305 423 HH21 ARG 22 2HH2 ARG 22 -14.323 -15.589 1.828 424 HH22 ARG 22 1HH2 ARG 22 -14.228 -17.054 0.900 425 H CYS 23 H CYS 23 -14.318 -9.584 0.005 426 HA CYS 23 HA CYS 23 -11.811 -8.333 -0.733 427 HB2 CYS 23 2HB CYS 23 -13.133 -7.365 1.084 428 HB3 CYS 23 1HB CYS 23 -13.052 -8.882 1.974 429 H ALA 24 H ALA 24 -9.797 -9.098 -0.221 430 HA ALA 24 HA ALA 24 -9.635 -11.971 0.369 431 HB1 ALA 24 1HB ALA 24 -7.157 -10.580 -0.350 432 HB2 ALA 24 2HB ALA 24 -7.845 -12.076 -0.983 433 HB3 ALA 24 3HB ALA 24 -8.411 -10.519 -1.589 434 H GLY 25 H GLY 25 -9.696 -9.193 2.006 435 HA2 GLY 25 1HA GLY 25 -7.454 -9.771 3.798 436 HA3 GLY 25 2HA GLY 25 -8.449 -8.323 3.810 437 H CYS 26 H CYS 26 -10.975 -9.150 4.125 438 HA CYS 26 HA CYS 26 -10.799 -10.390 6.761 439 HB2 CYS 26 2HB CYS 26 -13.298 -9.635 6.863 440 HB3 CYS 26 1HB CYS 26 -12.018 -8.460 7.096 441 H GLY 27 H GLY 27 -11.783 -11.041 3.575 442 HA2 GLY 27 1HA GLY 27 -12.146 -13.238 2.801 443 HA3 GLY 27 2HA GLY 27 -12.630 -13.708 4.424 444 H GLY 28 H GLY 28 -14.195 -10.933 4.037 445 HA2 GLY 28 1HA GLY 28 -16.619 -12.303 3.105 446 HA3 GLY 28 2HA GLY 28 -16.574 -10.828 4.065 447 H LYS 29 H LYS 29 -17.739 -9.506 2.780 448 HA LYS 29 HA LYS 29 -16.694 -9.013 0.075 449 HB2 LYS 29 2HB LYS 29 -19.422 -8.155 0.981 450 HB3 LYS 29 1HB LYS 29 -18.841 -8.439 -0.653 451 HG2 LYS 29 2HG LYS 29 -19.790 -10.440 -0.565 452 HG3 LYS 29 1HG LYS 29 -18.598 -10.896 0.649 453 HD2 LYS 29 2HD LYS 29 -20.765 -11.365 1.538 454 HD3 LYS 29 1HD LYS 29 -20.122 -9.958 2.389 455 HE2 LYS 29 2HE LYS 29 -21.880 -8.750 1.782 456 HE3 LYS 29 1HE LYS 29 -21.549 -9.075 0.082 457 HZ1 LYS 29 3HZ LYS 29 -22.681 -11.384 1.053 458 HZ2 LYS 29 1HZ LYS 29 -23.428 -10.222 0.068 459 HZ3 LYS 29 2HZ LYS 29 -23.593 -10.134 1.752 460 H ILE 30 H ILE 30 -16.409 -6.852 -0.566 461 HA ILE 30 HA ILE 30 -15.718 -5.085 1.585 462 HB ILE 30 HB ILE 30 -15.712 -4.612 -1.399 463 HG12 ILE 30 2HG1 ILE 30 -13.301 -5.001 0.355 464 HG13 ILE 30 1HG1 ILE 30 -14.165 -6.386 -0.304 465 HG21 ILE 30 1HG2 ILE 30 -14.593 -2.595 -1.052 466 HG22 ILE 30 2HG2 ILE 30 -15.864 -2.580 0.169 467 HG23 ILE 30 3HG2 ILE 30 -14.210 -2.984 0.622 468 HD11 ILE 30 3HD1 ILE 30 -12.279 -5.823 -1.695 469 HD12 ILE 30 1HD1 ILE 30 -13.782 -5.526 -2.568 470 HD13 ILE 30 2HD1 ILE 30 -12.877 -4.174 -1.884 471 H ALA 31 H ALA 31 -17.277 -4.131 2.664 472 HA ALA 31 HA ALA 31 -19.460 -2.838 1.170 473 HB1 ALA 31 1HB ALA 31 -19.723 -4.546 3.240 474 HB2 ALA 31 2HB ALA 31 -19.632 -3.017 4.113 475 HB3 ALA 31 3HB ALA 31 -20.878 -3.262 2.888 476 H ASP 32 H ASP 32 -16.561 -2.113 1.917 477 HA ASP 32 HA ASP 32 -16.853 0.278 3.491 478 HB2 ASP 32 2HB ASP 32 -14.742 -1.335 2.914 479 HB3 ASP 32 1HB ASP 32 -14.456 -0.009 1.790 480 H ARG 33 H ARG 33 -15.777 2.334 2.453 481 HA ARG 33 HA ARG 33 -17.526 3.094 0.303 482 HB2 ARG 33 2HB ARG 33 -16.933 4.643 2.154 483 HB3 ARG 33 1HB ARG 33 -15.270 4.654 1.578 484 HG2 ARG 33 2HG ARG 33 -16.508 6.641 0.875 485 HG3 ARG 33 1HG ARG 33 -15.945 5.684 -0.494 486 HD2 ARG 33 2HD ARG 33 -18.045 5.114 -1.136 487 HD3 ARG 33 1HD ARG 33 -18.659 5.079 0.516 488 HE ARG 33 HE ARG 33 -19.109 7.355 0.393 489 HH11 ARG 33 2HH1 ARG 33 -17.594 6.205 -2.560 490 HH12 ARG 33 1HH1 ARG 33 -17.942 7.660 -3.444 491 HH21 ARG 33 2HH2 ARG 33 -19.530 9.262 -0.764 492 HH22 ARG 33 1HH2 ARG 33 -19.017 9.406 -2.416 493 H PHE 34 H PHE 34 -13.999 3.448 0.613 494 HA PHE 34 HA PHE 34 -13.789 3.113 -2.293 495 HB2 PHE 34 2HB PHE 34 -12.290 4.662 -0.273 496 HB3 PHE 34 1HB PHE 34 -11.307 3.904 -1.524 497 HD1 PHE 34 2HD PHE 34 -14.546 5.739 -1.331 498 HD2 PHE 34 1HD PHE 34 -10.816 5.233 -3.312 499 HE1 PHE 34 2HE PHE 34 -15.134 7.549 -2.883 500 HE2 PHE 34 1HE PHE 34 -11.397 7.040 -4.873 501 HZ PHE 34 HZ PHE 34 -13.558 8.194 -4.667 502 H LEU 35 H LEU 35 -13.069 1.249 -3.056 503 HA LEU 35 HA LEU 35 -11.583 -0.516 -1.261 504 HB2 LEU 35 2HB LEU 35 -12.100 -2.317 -2.743 505 HB3 LEU 35 1HB LEU 35 -13.576 -1.435 -2.413 506 HG LEU 35 HG LEU 35 -12.570 -0.295 -4.759 507 HD11 LEU 35 1HD1 LEU 35 -12.734 -3.173 -5.382 508 HD12 LEU 35 2HD1 LEU 35 -11.758 -1.902 -6.120 509 HD13 LEU 35 3HD1 LEU 35 -11.251 -2.630 -4.596 510 HD21 LEU 35 3HD2 LEU 35 -14.524 -1.763 -5.712 511 HD22 LEU 35 1HD2 LEU 35 -14.811 -2.114 -4.007 512 HD23 LEU 35 2HD2 LEU 35 -14.862 -0.449 -4.585 513 H LEU 36 H LEU 36 -9.614 -1.442 -1.909 514 HA LEU 36 HA LEU 36 -8.189 0.209 -3.888 515 HB2 LEU 36 2HB LEU 36 -7.281 -0.752 -1.180 516 HB3 LEU 36 1HB LEU 36 -6.169 -0.148 -2.394 517 HG LEU 36 HG LEU 36 -8.047 1.866 -2.242 518 HD11 LEU 36 1HD1 LEU 36 -8.759 0.476 -0.114 519 HD12 LEU 36 2HD1 LEU 36 -7.397 1.332 0.607 520 HD13 LEU 36 3HD1 LEU 36 -8.734 2.240 -0.100 521 HD21 LEU 36 3HD2 LEU 36 -5.584 2.048 -2.392 522 HD22 LEU 36 1HD2 LEU 36 -6.290 3.140 -1.202 523 HD23 LEU 36 2HD2 LEU 36 -5.482 1.666 -0.673 524 H TYR 37 H TYR 37 -6.259 -0.801 -4.773 525 HA TYR 37 HA TYR 37 -6.627 -3.700 -5.081 526 HB2 TYR 37 2HB TYR 37 -6.369 -1.607 -6.980 527 HB3 TYR 37 1HB TYR 37 -4.918 -2.599 -7.090 528 HD1 TYR 37 2HD TYR 37 -5.536 -5.251 -6.932 529 HD2 TYR 37 1HD TYR 37 -8.048 -2.161 -8.413 530 HE1 TYR 37 2HE TYR 37 -6.774 -6.903 -8.258 531 HE2 TYR 37 1HE TYR 37 -9.290 -3.798 -9.744 532 HH TYR 37 HH TYR 37 -8.150 -6.940 -10.313 533 H ALA 38 H ALA 38 -4.971 -5.054 -4.758 534 HA ALA 38 HA ALA 38 -2.243 -4.097 -4.618 535 HB1 ALA 38 1HB ALA 38 -3.396 -5.571 -2.254 536 HB2 ALA 38 2HB ALA 38 -1.769 -4.912 -2.423 537 HB3 ALA 38 3HB ALA 38 -3.152 -3.826 -2.298 538 H MET 39 H MET 39 -1.064 -5.496 -5.679 539 HA MET 39 HA MET 39 -0.220 -7.392 -6.568 540 HB2 MET 39 2HB MET 39 -1.611 -8.399 -4.190 541 HB3 MET 39 1HB MET 39 -1.461 -9.586 -5.480 542 HG2 MET 39 2HG MET 39 0.429 -9.882 -4.125 543 HG3 MET 39 1HG MET 39 0.996 -9.011 -5.548 544 HE1 MET 39 3HE MET 39 1.170 -7.997 -1.244 545 HE2 MET 39 1HE MET 39 -0.460 -7.565 -1.766 546 HE3 MET 39 2HE MET 39 0.150 -9.197 -2.039 547 H ASP 40 H ASP 40 -3.554 -8.427 -5.855 548 HA ASP 40 HA ASP 40 -4.429 -8.122 -8.555 549 HB2 ASP 40 2HB ASP 40 -2.919 -10.161 -8.660 550 HB3 ASP 40 1HB ASP 40 -4.092 -10.978 -7.633 551 H SER 41 H SER 41 -5.048 -8.369 -5.333 552 HA SER 41 HA SER 41 -7.718 -9.539 -5.704 553 HB2 SER 41 2HB SER 41 -6.669 -9.072 -2.972 554 HB3 SER 41 1HB SER 41 -7.573 -10.442 -3.619 555 HG SER 41 HG SER 41 -5.462 -10.744 -4.875 556 H TYR 42 H TYR 42 -9.400 -8.623 -4.170 557 HA TYR 42 HA TYR 42 -9.375 -5.708 -4.388 558 HB2 TYR 42 2HB TYR 42 -11.522 -7.729 -3.769 559 HB3 TYR 42 1HB TYR 42 -11.782 -6.004 -3.570 560 HD1 TYR 42 1HD TYR 42 -10.405 -4.932 -5.966 561 HD2 TYR 42 2HD TYR 42 -12.914 -8.332 -5.503 562 HE1 TYR 42 1HE TYR 42 -11.076 -4.754 -8.324 563 HE2 TYR 42 2HE TYR 42 -13.586 -8.166 -7.858 564 HH TYR 42 HH TYR 42 -12.859 -7.235 -9.921 565 H TRP 43 H TRP 43 -9.252 -4.362 -2.664 566 HA TRP 43 HA TRP 43 -9.529 -5.502 0.030 567 HB2 TRP 43 2HB TRP 43 -7.340 -3.523 -0.537 568 HB3 TRP 43 1HB TRP 43 -7.513 -4.611 0.832 569 HD1 TRP 43 HD TRP 43 -6.567 -4.708 -2.911 570 HE1 TRP 43 1HE TRP 43 -5.003 -6.715 -3.287 571 HE3 TRP 43 3HE TRP 43 -6.719 -6.742 1.771 572 HZ2 TRP 43 2HZ TRP 43 -3.966 -8.862 -1.804 573 HZ3 TRP 43 3HZ TRP 43 -5.411 -8.781 2.213 574 HH2 TRP 43 HH TRP 43 -4.060 -9.815 0.453 575 H HIS 44 H HIS 44 -9.321 -3.596 1.661 576 HA HIS 44 HA HIS 44 -10.240 -1.028 0.696 577 HB2 HIS 44 2HB HIS 44 -12.045 -0.946 2.526 578 HB3 HIS 44 1HB HIS 44 -12.423 -1.898 1.100 579 HD1 HIS 44 1HD HIS 44 -13.486 -2.225 4.258 580 HD2 HIS 44 2HD HIS 44 -10.922 -4.627 2.049 581 HE1 HIS 44 1HE HIS 44 -13.470 -4.520 5.388 582 H SER 45 H SER 45 -10.609 0.278 3.039 583 HA SER 45 HA SER 45 -8.052 0.990 3.632 584 HB2 SER 45 2HB SER 45 -9.933 1.410 5.848 585 HB3 SER 45 1HB SER 45 -9.027 2.580 4.888 586 HG SER 45 HG SER 45 -11.499 2.337 4.689 587 H ARG 46 H ARG 46 -10.060 -1.097 5.754 588 HA ARG 46 HA ARG 46 -7.960 -1.207 7.711 589 HB2 ARG 46 2HB ARG 46 -9.479 -2.246 9.111 590 HB3 ARG 46 1HB ARG 46 -10.512 -1.265 8.084 591 HG2 ARG 46 2HG ARG 46 -11.695 -3.083 7.638 592 HG3 ARG 46 1HG ARG 46 -10.292 -3.738 6.788 593 HD2 ARG 46 2HD ARG 46 -9.796 -4.125 9.522 594 HD3 ARG 46 1HD ARG 46 -11.482 -4.571 9.273 595 HE ARG 46 HE ARG 46 -9.748 -5.712 7.297 596 HH11 ARG 46 2HH1 ARG 46 -11.044 -6.124 10.536 597 HH12 ARG 46 1HH1 ARG 46 -10.723 -7.837 10.573 598 HH21 ARG 46 2HH2 ARG 46 -9.348 -7.939 7.345 599 HH22 ARG 46 1HH2 ARG 46 -9.735 -8.862 8.770 600 H CYS 47 H CYS 47 -8.728 -3.208 4.990 601 HA CYS 47 HA CYS 47 -7.288 -5.467 6.170 602 HB2 CYS 47 2HB CYS 47 -9.049 -5.155 3.772 603 HB3 CYS 47 1HB CYS 47 -7.941 -6.517 3.881 604 H LEU 48 H LEU 48 -7.058 -3.139 3.541 605 HA LEU 48 HA LEU 48 -4.610 -4.279 2.547 606 HB2 LEU 48 2HB LEU 48 -6.472 -2.761 1.375 607 HB3 LEU 48 1HB LEU 48 -5.403 -1.482 1.913 608 HG LEU 48 HG LEU 48 -5.214 -2.889 -0.459 609 HD11 LEU 48 1HD1 LEU 48 -2.788 -1.770 -0.269 610 HD12 LEU 48 2HD1 LEU 48 -4.263 -0.854 -0.571 611 HD13 LEU 48 3HD1 LEU 48 -3.606 -0.950 1.061 612 HD21 LEU 48 3HD2 LEU 48 -3.093 -4.082 -0.351 613 HD22 LEU 48 1HD2 LEU 48 -3.015 -3.808 1.391 614 HD23 LEU 48 2HD2 LEU 48 -4.289 -4.826 0.713 615 H LYS 49 H LYS 49 -3.291 -4.308 4.372 616 HA LYS 49 HA LYS 49 -2.096 -1.729 5.045 617 HB2 LYS 49 2HB LYS 49 -2.080 -2.845 7.509 618 HB3 LYS 49 1HB LYS 49 -3.306 -1.708 6.972 619 HG2 LYS 49 2HG LYS 49 -4.624 -3.342 7.845 620 HG3 LYS 49 1HG LYS 49 -4.523 -3.889 6.171 621 HD2 LYS 49 2HD LYS 49 -2.612 -5.356 6.856 622 HD3 LYS 49 1HD LYS 49 -2.948 -4.913 8.531 623 HE2 LYS 49 2HE LYS 49 -5.097 -5.916 8.457 624 HE3 LYS 49 1HE LYS 49 -5.020 -6.106 6.706 625 HZ1 LYS 49 3HZ LYS 49 -4.457 -8.050 8.437 626 HZ2 LYS 49 1HZ LYS 49 -2.905 -7.412 8.204 627 HZ3 LYS 49 2HZ LYS 49 -3.795 -7.969 6.874 628 H CYS 50 H CYS 50 -0.165 -2.158 6.575 629 HA CYS 50 HA CYS 50 1.578 -4.071 5.378 630 HB2 CYS 50 2HB CYS 50 2.354 -1.902 6.347 631 HB3 CYS 50 1HB CYS 50 1.929 -2.493 7.947 632 H SER 51 H SER 51 2.127 -6.088 6.084 633 HA SER 51 HA SER 51 0.486 -7.290 8.131 634 HB2 SER 51 2HB SER 51 2.853 -8.641 6.852 635 HB3 SER 51 1HB SER 51 1.359 -9.361 7.447 636 HG SER 51 HG SER 51 1.161 -7.508 5.371 637 H SER 52 H SER 52 3.205 -5.442 8.188 638 HA SER 52 HA SER 52 4.237 -6.724 10.626 639 HB2 SER 52 2HB SER 52 5.916 -4.604 9.591 640 HB3 SER 52 1HB SER 52 6.302 -6.305 9.855 641 HG SER 52 HG SER 52 5.085 -5.132 7.568 642 H CYS 53 H CYS 53 3.155 -3.667 9.216 643 HA CYS 53 HA CYS 53 3.371 -2.314 11.788 644 HB2 CYS 53 2HB CYS 53 2.470 -1.388 9.057 645 HB3 CYS 53 1HB CYS 53 2.417 -0.364 10.487 646 H GLN 54 H GLN 54 0.973 -3.723 9.702 647 HA GLN 54 HA GLN 54 -1.262 -3.961 9.765 648 HB2 GLN 54 2HB GLN 54 -0.549 -3.761 12.602 649 HB3 GLN 54 1HB GLN 54 -2.210 -3.298 12.245 650 HG2 GLN 54 2HG GLN 54 -1.192 -5.790 11.022 651 HG3 GLN 54 1HG GLN 54 -1.500 -5.790 12.756 652 HE21 GLN 54 1HE2 GLN 54 -3.436 -3.645 10.899 653 HE22 GLN 54 2HE2 GLN 54 -4.876 -4.613 10.872 654 H ALA 55 H ALA 55 0.252 -1.224 9.730 655 HA ALA 55 HA ALA 55 -1.775 0.689 10.361 656 HB1 ALA 55 1HB ALA 55 0.931 0.816 9.862 657 HB2 ALA 55 2HB ALA 55 0.227 1.542 8.417 658 HB3 ALA 55 3HB ALA 55 -0.155 2.200 10.008 659 H GLN 56 H GLN 56 -3.494 1.156 9.171 660 HA GLN 56 HA GLN 56 -4.228 -0.261 6.912 661 HB2 GLN 56 2HB GLN 56 -5.201 2.390 7.970 662 HB3 GLN 56 1HB GLN 56 -5.987 1.524 6.659 663 HG2 GLN 56 2HG GLN 56 -6.336 -0.393 8.164 664 HG3 GLN 56 1HG GLN 56 -5.616 0.535 9.478 665 HE21 GLN 56 1HE2 GLN 56 -7.189 2.744 7.697 666 HE22 GLN 56 2HE2 GLN 56 -8.716 2.748 8.497 667 H LEU 57 H LEU 57 -3.026 -0.277 5.135 668 HA LEU 57 HA LEU 57 -1.492 1.922 4.198 669 HB2 LEU 57 2HB LEU 57 -2.010 -0.854 3.434 670 HB3 LEU 57 1HB LEU 57 -1.769 0.199 2.057 671 HG LEU 57 HG LEU 57 0.437 0.603 2.580 672 HD11 LEU 57 1HD1 LEU 57 0.010 -0.368 5.392 673 HD12 LEU 57 2HD1 LEU 57 1.479 0.339 4.719 674 HD13 LEU 57 3HD1 LEU 57 0.032 1.328 4.907 675 HD21 LEU 57 3HD2 LEU 57 0.229 -1.684 1.921 676 HD22 LEU 57 1HD2 LEU 57 1.454 -1.577 3.187 677 HD23 LEU 57 2HD2 LEU 57 -0.164 -2.168 3.571 678 H GLY 58 H GLY 58 -4.731 0.839 3.698 679 HA2 GLY 58 1HA GLY 58 -5.189 2.364 1.296 680 HA3 GLY 58 2HA GLY 58 -6.408 1.562 2.279 681 H ASP 59 H ASP 59 -4.896 3.139 4.554 682 HA ASP 59 HA ASP 59 -6.583 5.521 4.312 683 HB2 ASP 59 2HB ASP 59 -6.242 3.771 6.419 684 HB3 ASP 59 1HB ASP 59 -5.199 5.118 6.865 685 H ILE 60 H ILE 60 -3.659 4.678 3.483 686 HA ILE 60 HA ILE 60 -2.462 7.274 4.140 687 HB ILE 60 HB ILE 60 -0.986 4.649 3.970 688 HG12 ILE 60 2HG1 ILE 60 -1.455 6.401 6.392 689 HG13 ILE 60 1HG1 ILE 60 -2.382 4.952 6.031 690 HG21 ILE 60 1HG2 ILE 60 0.345 6.510 3.159 691 HG22 ILE 60 2HG2 ILE 60 0.011 7.416 4.637 692 HG23 ILE 60 3HG2 ILE 60 0.963 5.932 4.708 693 HD11 ILE 60 3HD1 ILE 60 -0.369 4.874 7.686 694 HD12 ILE 60 1HD1 ILE 60 -0.648 3.549 6.555 695 HD13 ILE 60 2HD1 ILE 60 0.584 4.762 6.206 696 H GLY 61 H GLY 61 -2.385 4.517 1.989 697 HA2 GLY 61 1HA GLY 61 -2.508 4.601 -0.363 698 HA3 GLY 61 2HA GLY 61 -2.075 6.304 -0.299 699 H THR 62 H THR 62 -0.274 4.080 1.587 700 HA THR 62 HA THR 62 2.172 4.799 0.359 701 HB THR 62 HB THR 62 2.591 2.470 1.877 702 HG1 THR 62 1HG THR 62 1.158 2.515 3.459 703 HG21 THR 62 3HG2 THR 62 3.541 5.037 1.777 704 HG22 THR 62 1HG2 THR 62 4.005 3.832 2.979 705 HG23 THR 62 2HG2 THR 62 2.738 5.002 3.348 706 H SER 63 H SER 63 3.140 3.933 -1.355 707 HA SER 63 HA SER 63 2.137 1.640 -2.705 708 HB2 SER 63 2HB SER 63 4.875 2.452 -3.381 709 HB3 SER 63 1HB SER 63 3.434 2.398 -4.399 710 HG SER 63 HG SER 63 3.247 4.475 -4.150 711 H SER 64 H SER 64 2.199 -0.057 -1.235 712 HA SER 64 HA SER 64 4.552 -0.760 0.218 713 HB2 SER 64 2HB SER 64 2.822 -2.961 0.178 714 HB3 SER 64 1HB SER 64 2.907 -1.704 1.420 715 HG SER 64 HG SER 64 0.903 -1.408 0.792 716 H TYR 65 H TYR 65 5.315 -3.128 0.101 717 HA TYR 65 HA TYR 65 5.582 -3.996 -2.699 718 HB2 TYR 65 2HB TYR 65 7.809 -3.686 -0.668 719 HB3 TYR 65 1HB TYR 65 7.979 -4.582 -2.174 720 HD1 TYR 65 1HD TYR 65 7.476 -1.234 -0.715 721 HD2 TYR 65 2HD TYR 65 8.291 -3.450 -4.251 722 HE1 TYR 65 1HE TYR 65 8.084 0.848 -1.869 723 HE2 TYR 65 2HE TYR 65 8.906 -1.377 -5.416 724 HH TYR 65 HH TYR 65 9.385 1.594 -3.782 725 H THR 66 H THR 66 6.567 -6.271 -2.758 726 HA THR 66 HA THR 66 5.976 -7.840 -0.384 727 HB THR 66 HB THR 66 3.877 -7.726 -1.808 728 HG1 THR 66 1HG THR 66 4.112 -9.397 -0.324 729 HG21 THR 66 3HG2 THR 66 3.793 -9.184 -3.779 730 HG22 THR 66 1HG2 THR 66 5.525 -9.481 -3.633 731 HG23 THR 66 2HG2 THR 66 4.938 -7.861 -4.010 732 H LYS 67 H LYS 67 6.374 -10.277 -1.077 733 HA LYS 67 HA LYS 67 8.390 -10.746 -3.025 734 HB2 LYS 67 2HB LYS 67 9.555 -9.544 -1.010 735 HB3 LYS 67 1HB LYS 67 9.398 -11.109 -0.222 736 HG2 LYS 67 2HG LYS 67 10.530 -12.040 -2.339 737 HG3 LYS 67 1HG LYS 67 11.003 -10.366 -2.631 738 HD2 LYS 67 2HD LYS 67 11.984 -10.325 -0.338 739 HD3 LYS 67 1HD LYS 67 11.656 -12.054 -0.222 740 HE2 LYS 67 2HE LYS 67 13.977 -11.587 -0.888 741 HE3 LYS 67 1HE LYS 67 13.092 -12.486 -2.119 742 HZ1 LYS 67 3HZ LYS 67 12.648 -10.155 -3.089 743 HZ2 LYS 67 1HZ LYS 67 14.158 -10.875 -3.339 744 HZ3 LYS 67 2HZ LYS 67 13.970 -9.673 -2.152 745 H SER 68 H SER 68 7.621 -11.956 0.225 746 HA SER 68 HA SER 68 7.237 -14.621 -0.928 747 HB2 SER 68 2HB SER 68 7.258 -14.337 2.004 748 HB3 SER 68 1HB SER 68 8.144 -15.463 0.970 749 HG SER 68 HG SER 68 9.667 -13.883 0.566 750 H GLY 69 H GLY 69 5.187 -12.644 -1.222 751 HA2 GLY 69 1HA GLY 69 2.869 -12.918 -1.290 752 HA3 GLY 69 2HA GLY 69 3.004 -14.171 -0.068 753 H MET 70 H MET 70 4.657 -12.285 1.606 754 HA MET 70 HA MET 70 2.477 -11.221 3.111 755 HB2 MET 70 2HB MET 70 4.985 -12.022 3.759 756 HB3 MET 70 1HB MET 70 5.212 -10.280 3.721 757 HG2 MET 70 2HG MET 70 4.428 -10.198 5.783 758 HG3 MET 70 1HG MET 70 2.854 -10.684 5.156 759 HE1 MET 70 3HE MET 70 6.128 -13.056 7.102 760 HE2 MET 70 1HE MET 70 5.990 -13.628 5.439 761 HE3 MET 70 2HE MET 70 6.283 -11.918 5.765 762 H ILE 71 H ILE 71 1.777 -9.145 3.311 763 HA ILE 71 HA ILE 71 2.739 -7.245 1.302 764 HB ILE 71 HB ILE 71 0.444 -6.644 3.123 765 HG12 ILE 71 2HG1 ILE 71 -0.428 -7.963 0.686 766 HG13 ILE 71 1HG1 ILE 71 0.529 -9.046 1.693 767 HG21 ILE 71 1HG2 ILE 71 -0.406 -5.704 0.890 768 HG22 ILE 71 2HG2 ILE 71 0.937 -4.880 1.683 769 HG23 ILE 71 3HG2 ILE 71 1.242 -5.956 0.317 770 HD11 ILE 71 3HD1 ILE 71 -1.217 -9.387 3.000 771 HD12 ILE 71 1HD1 ILE 71 -1.319 -7.660 3.349 772 HD13 ILE 71 2HD1 ILE 71 -2.182 -8.331 1.965 773 H LEU 72 H LEU 72 4.381 -5.995 1.967 774 HA LEU 72 HA LEU 72 4.290 -4.990 4.737 775 HB2 LEU 72 2HB LEU 72 6.881 -5.098 3.293 776 HB3 LEU 72 1HB LEU 72 6.543 -5.285 5.003 777 HG LEU 72 HG LEU 72 5.484 -7.464 3.359 778 HD11 LEU 72 1HD1 LEU 72 8.471 -7.179 3.596 779 HD12 LEU 72 2HD1 LEU 72 7.575 -8.493 2.834 780 HD13 LEU 72 3HD1 LEU 72 7.556 -6.882 2.117 781 HD21 LEU 72 3HD2 LEU 72 7.345 -8.281 5.339 782 HD22 LEU 72 1HD2 LEU 72 6.368 -6.974 6.010 783 HD23 LEU 72 2HD2 LEU 72 5.585 -8.414 5.358 784 H CYS 73 H CYS 73 4.924 -2.834 5.086 785 HA CYS 73 HA CYS 73 4.225 -1.044 3.033 786 HB2 CYS 73 2HB CYS 73 4.895 0.736 4.573 787 HB3 CYS 73 1HB CYS 73 3.932 -0.481 5.400 788 H ARG 74 H ARG 74 5.692 0.853 2.484 789 HA ARG 74 HA ARG 74 7.588 0.060 0.677 790 HB2 ARG 74 2HB ARG 74 6.439 2.430 1.409 791 HB3 ARG 74 1HB ARG 74 8.110 2.691 1.879 792 HG2 ARG 74 2HG ARG 74 8.868 2.283 -0.355 793 HG3 ARG 74 1HG ARG 74 7.245 1.810 -0.864 794 HD2 ARG 74 2HD ARG 74 7.417 4.009 -1.606 795 HD3 ARG 74 1HD ARG 74 6.549 4.168 -0.079 796 HE ARG 74 HE ARG 74 9.264 4.411 0.488 797 HH11 ARG 74 2HH1 ARG 74 6.785 6.146 -1.274 798 HH12 ARG 74 1HH1 ARG 74 7.589 7.685 -1.142 799 HH21 ARG 74 2HH2 ARG 74 10.307 6.409 0.696 800 HH22 ARG 74 1HH2 ARG 74 9.611 7.840 -0.009 801 H ASN 75 H ASN 75 8.147 1.270 3.958 802 HA ASN 75 HA ASN 75 11.002 1.008 3.723 803 HB2 ASN 75 2HB ASN 75 10.257 2.803 5.077 804 HB3 ASN 75 1HB ASN 75 9.145 1.774 5.970 805 HD21 ASN 75 1HD2 ASN 75 9.771 1.087 7.877 806 HD22 ASN 75 2HD2 ASN 75 11.401 1.073 8.467 807 H ASP 76 H ASP 76 8.378 -0.902 5.044 808 HA ASP 76 HA ASP 76 9.961 -2.461 6.804 809 HB2 ASP 76 2HB ASP 76 7.220 -2.268 6.186 810 HB3 ASP 76 1HB ASP 76 7.678 -3.949 5.917 811 H TYR 77 H TYR 77 8.978 -2.929 3.436 812 HA TYR 77 HA TYR 77 9.771 -5.600 3.201 813 HB2 TYR 77 2HB TYR 77 8.503 -4.641 1.409 814 HB3 TYR 77 1HB TYR 77 9.723 -3.398 1.133 815 HD1 TYR 77 2HD TYR 77 9.811 -7.124 1.461 816 HD2 TYR 77 1HD TYR 77 10.824 -3.712 -0.875 817 HE1 TYR 77 2HE TYR 77 10.945 -8.579 -0.163 818 HE2 TYR 77 1HE TYR 77 11.967 -5.156 -2.503 819 HH TYR 77 HH TYR 77 13.116 -7.814 -2.105 820 H ILE 78 H ILE 78 11.645 -2.625 2.798 821 HA ILE 78 HA ILE 78 14.028 -3.909 1.938 822 HB ILE 78 HB ILE 78 14.065 -1.282 3.387 823 HG12 ILE 78 2HG1 ILE 78 13.406 -1.402 0.464 824 HG13 ILE 78 1HG1 ILE 78 12.112 -1.529 1.653 825 HG21 ILE 78 1HG2 ILE 78 16.183 -1.520 2.700 826 HG22 ILE 78 2HG2 ILE 78 15.760 -2.752 1.511 827 HG23 ILE 78 3HG2 ILE 78 15.558 -1.044 1.121 828 HD11 ILE 78 3HD1 ILE 78 12.243 0.739 1.031 829 HD12 ILE 78 1HD1 ILE 78 12.966 0.626 2.635 830 HD13 ILE 78 2HD1 ILE 78 13.996 0.765 1.210 831 H ARG 79 H ARG 79 12.733 -3.009 5.062 832 HA ARG 79 HA ARG 79 15.117 -3.589 6.533 833 HB2 ARG 79 2HB ARG 79 12.977 -2.111 7.113 834 HB3 ARG 79 1HB ARG 79 12.436 -3.620 7.836 835 HG2 ARG 79 2HG ARG 79 15.155 -2.986 8.589 836 HG3 ARG 79 1HG ARG 79 14.029 -1.694 9.010 837 HD2 ARG 79 2HD ARG 79 14.138 -3.190 10.865 838 HD3 ARG 79 1HD ARG 79 12.576 -3.425 10.081 839 HE ARG 79 HE ARG 79 14.438 -5.251 9.021 840 HH11 ARG 79 2HH1 ARG 79 12.676 -4.633 11.994 841 HH12 ARG 79 1HH1 ARG 79 12.631 -6.314 12.445 842 HH21 ARG 79 2HH2 ARG 79 14.351 -7.436 9.618 843 HH22 ARG 79 1HH2 ARG 79 13.568 -7.895 11.102 844 H LEU 80 H LEU 80 12.216 -5.345 5.649 845 HA LEU 80 HA LEU 80 12.774 -7.523 7.454 846 HB2 LEU 80 2HB LEU 80 10.518 -6.530 6.146 847 HB3 LEU 80 1HB LEU 80 10.794 -8.105 5.423 848 HG LEU 80 HG LEU 80 10.945 -8.071 8.363 849 HD11 LEU 80 1HD1 LEU 80 8.557 -7.932 8.714 850 HD12 LEU 80 2HD1 LEU 80 9.158 -6.430 8.012 851 HD13 LEU 80 3HD1 LEU 80 8.300 -7.596 7.003 852 HD21 LEU 80 3HD2 LEU 80 10.384 -9.886 6.235 853 HD22 LEU 80 1HD2 LEU 80 10.658 -10.225 7.944 854 HD23 LEU 80 2HD2 LEU 80 9.031 -9.877 7.365 855 H PHE 81 H PHE 81 12.444 -7.327 3.887 856 HA PHE 81 HA PHE 81 13.955 -9.846 3.770 857 HB2 PHE 81 2HB PHE 81 11.955 -8.656 1.848 858 HB3 PHE 81 1HB PHE 81 12.928 -10.077 1.482 859 HD1 PHE 81 2HD PHE 81 12.623 -12.153 2.823 860 HD2 PHE 81 1HD PHE 81 10.049 -8.785 3.211 861 HE1 PHE 81 2HE PHE 81 10.936 -13.575 3.917 862 HE2 PHE 81 1HE PHE 81 8.354 -10.200 4.302 863 HZ PHE 81 HZ PHE 81 8.798 -12.596 4.657 864 H GLY 82 H GLY 82 13.422 -7.686 1.061 865 HA2 GLY 82 1HA GLY 82 15.076 -6.220 0.124 866 HA3 GLY 82 2HA GLY 82 16.309 -7.146 0.971 Start of MODEL 2 1 H SER 641 1H SER 641 22.561 -33.708 -2.619 2 HA SER 641 HA SER 641 22.626 -36.389 -3.842 3 HB2 SER 641 2HB SER 641 20.173 -35.255 -2.645 4 HB3 SER 641 1HB SER 641 20.854 -36.877 -2.504 5 HG SER 641 HG SER 641 21.064 -35.930 -0.519 6 H LEU 642 H LEU 642 20.769 -33.341 -3.805 7 HA LEU 642 HA LEU 642 20.245 -33.777 -6.669 8 HB2 LEU 642 2HB LEU 642 18.161 -34.091 -5.597 9 HB3 LEU 642 1HB LEU 642 18.414 -32.728 -4.524 10 HG LEU 642 HG LEU 642 18.470 -31.500 -6.961 11 HD11 LEU 642 1HD1 LEU 642 16.620 -32.362 -8.280 12 HD12 LEU 642 2HD1 LEU 642 17.882 -33.581 -8.116 13 HD13 LEU 642 3HD1 LEU 642 16.415 -33.698 -7.148 14 HD21 LEU 642 3HD2 LEU 642 16.966 -30.324 -5.830 15 HD22 LEU 642 1HD2 LEU 642 15.763 -31.576 -6.144 16 HD23 LEU 642 2HD2 LEU 642 16.757 -31.653 -4.690 17 H GLN 643 H GLN 643 20.991 -32.249 -7.942 18 HA GLN 643 HA GLN 643 21.421 -29.554 -6.819 19 HB2 GLN 643 2HB GLN 643 23.475 -31.133 -7.415 20 HB3 GLN 643 1HB GLN 643 23.145 -30.550 -9.042 21 HG2 GLN 643 2HG GLN 643 23.125 -28.222 -7.687 22 HG3 GLN 643 1HG GLN 643 24.280 -29.147 -6.725 23 HE21 GLN 643 1HE2 GLN 643 25.536 -27.220 -7.683 24 HE22 GLN 643 2HE2 GLN 643 26.389 -27.557 -9.155 25 H ASN 644 H ASN 644 19.127 -29.636 -7.714 26 HA ASN 644 HA ASN 644 18.833 -29.563 -10.570 27 HB2 ASN 644 2HB ASN 644 17.111 -30.139 -8.570 28 HB3 ASN 644 1HB ASN 644 16.687 -28.455 -8.854 29 HD21 ASN 644 1HD2 ASN 644 14.703 -29.960 -9.317 30 HD22 ASN 644 2HD2 ASN 644 14.459 -30.306 -10.998 31 H ASN 645 H ASN 645 20.371 -27.907 -11.019 32 HA ASN 645 HA ASN 645 20.197 -25.262 -10.106 33 HB2 ASN 645 2HB ASN 645 22.089 -26.360 -11.440 34 HB3 ASN 645 1HB ASN 645 21.115 -26.047 -12.873 35 HD21 ASN 645 1HD2 ASN 645 21.137 -24.071 -13.754 36 HD22 ASN 645 2HD2 ASN 645 21.998 -22.712 -13.114 37 H GLN 646 H GLN 646 18.325 -24.193 -10.163 38 HA GLN 646 HA GLN 646 16.321 -24.602 -12.119 39 HB2 GLN 646 2HB GLN 646 16.717 -22.524 -9.980 40 HB3 GLN 646 1HB GLN 646 15.343 -22.483 -11.076 41 HG2 GLN 646 2HG GLN 646 15.000 -24.944 -10.312 42 HG3 GLN 646 1HG GLN 646 15.998 -24.460 -8.942 43 HE21 GLN 646 1HE2 GLN 646 13.394 -22.913 -10.811 44 HE22 GLN 646 2HE2 GLN 646 12.431 -22.508 -9.424 45 H ASP 647 H ASP 647 15.750 -23.439 -13.892 46 HA ASP 647 HA ASP 647 17.908 -22.015 -15.152 47 HB2 ASP 647 2HB ASP 647 16.288 -23.673 -16.272 48 HB3 ASP 647 1HB ASP 647 15.135 -22.340 -16.282 49 H VAL 648 H VAL 648 18.245 -19.951 -14.729 50 HA VAL 648 HA VAL 648 15.978 -18.227 -14.059 51 HB VAL 648 HB VAL 648 17.942 -16.539 -13.660 52 HG11 VAL 648 1HG1 VAL 648 16.592 -17.235 -11.853 53 HG12 VAL 648 2HG1 VAL 648 17.236 -18.876 -11.904 54 HG13 VAL 648 3HG1 VAL 648 18.255 -17.545 -11.353 55 HG21 VAL 648 3HG2 VAL 648 19.419 -19.146 -13.324 56 HG22 VAL 648 1HG2 VAL 648 19.634 -18.063 -14.699 57 HG23 VAL 648 2HG2 VAL 648 20.045 -17.518 -13.074 58 H SER 649 H SER 649 17.484 -19.176 -16.772 59 HA SER 649 HA SER 649 17.907 -16.677 -18.090 60 HB2 SER 649 2HB SER 649 17.442 -19.153 -19.674 61 HB3 SER 649 1HB SER 649 18.698 -17.924 -19.843 62 HG SER 649 HG SER 649 18.615 -20.203 -18.224 63 H PHE 650 H PHE 650 16.392 -15.383 -18.841 64 HA PHE 650 HA PHE 650 13.797 -16.536 -19.621 65 HB2 PHE 650 2HB PHE 650 14.377 -14.497 -17.745 66 HB3 PHE 650 1HB PHE 650 13.644 -13.703 -19.135 67 HD1 PHE 650 2HD PHE 650 11.447 -14.760 -20.028 68 HD2 PHE 650 1HD PHE 650 13.033 -15.468 -16.139 69 HE1 PHE 650 2HE PHE 650 9.218 -15.452 -19.246 70 HE2 PHE 650 1HE PHE 650 10.807 -16.162 -15.353 71 HZ PHE 650 HZ PHE 650 8.897 -16.153 -16.906 72 H GLU 651 H GLU 651 13.024 -16.053 -21.640 73 HA GLU 651 HA GLU 651 14.825 -14.902 -23.532 74 HB2 GLU 651 2HB GLU 651 11.913 -15.282 -24.114 75 HB3 GLU 651 1HB GLU 651 13.294 -15.502 -25.175 76 HG2 GLU 651 2HG GLU 651 13.892 -17.545 -24.050 77 HG3 GLU 651 1HG GLU 651 12.609 -17.299 -22.864 78 H ASN 652 H ASN 652 11.877 -13.819 -21.938 79 HA ASN 652 HA ASN 652 11.523 -11.389 -23.289 80 HB2 ASN 652 2HB ASN 652 9.768 -12.273 -21.881 81 HB3 ASN 652 1HB ASN 652 10.804 -12.190 -20.459 82 HD21 ASN 652 1HD2 ASN 652 9.507 -10.856 -19.277 83 HD22 ASN 652 2HD2 ASN 652 9.191 -9.207 -19.706 84 H ILE 653 H ILE 653 13.223 -12.072 -20.245 85 HA ILE 653 HA ILE 653 14.695 -9.550 -20.609 86 HB ILE 653 HB ILE 653 15.052 -10.278 -17.946 87 HG12 ILE 653 2HG1 ILE 653 12.113 -10.142 -18.109 88 HG13 ILE 653 1HG1 ILE 653 12.800 -11.650 -18.707 89 HG21 ILE 653 1HG2 ILE 653 14.643 -8.031 -19.182 90 HG22 ILE 653 2HG2 ILE 653 12.955 -8.309 -18.759 91 HG23 ILE 653 3HG2 ILE 653 14.174 -8.191 -17.490 92 HD11 ILE 653 3HD1 ILE 653 13.862 -10.711 -16.135 93 HD12 ILE 653 1HD1 ILE 653 12.166 -11.197 -16.138 94 HD13 ILE 653 2HD1 ILE 653 13.412 -12.332 -16.660 95 H GLN 654 H GLN 654 16.259 -10.597 -21.875 96 HA GLN 654 HA GLN 654 17.719 -12.811 -20.629 97 HB2 GLN 654 2HB GLN 654 18.799 -12.997 -22.901 98 HB3 GLN 654 1HB GLN 654 17.073 -13.316 -22.853 99 HG2 GLN 654 2HG GLN 654 16.543 -11.412 -24.004 100 HG3 GLN 654 1HG GLN 654 18.004 -10.569 -23.493 101 HE21 GLN 654 1HE2 GLN 654 16.492 -12.119 -25.998 102 HE22 GLN 654 2HE2 GLN 654 17.862 -12.399 -27.022 103 H TRP 655 H TRP 655 17.907 -9.516 -20.827 104 HA TRP 655 HA TRP 655 20.788 -9.340 -21.040 105 HB2 TRP 655 2HB TRP 655 20.529 -7.059 -21.194 106 HB3 TRP 655 1HB TRP 655 18.954 -7.579 -21.773 107 HD1 TRP 655 HD TRP 655 16.926 -7.485 -19.817 108 HE1 TRP 655 1HE TRP 655 16.563 -5.698 -17.994 109 HE3 TRP 655 3HE TRP 655 21.620 -5.457 -19.721 110 HZ2 TRP 655 2HZ TRP 655 18.071 -3.708 -16.688 111 HZ3 TRP 655 3HZ TRP 655 22.076 -3.611 -18.157 112 HH2 TRP 655 HH TRP 655 20.333 -2.756 -16.673 113 H SER 656 H SER 656 22.023 -8.196 -19.286 114 HA SER 656 HA SER 656 21.773 -9.643 -16.878 115 HB2 SER 656 2HB SER 656 23.425 -7.271 -16.648 116 HB3 SER 656 1HB SER 656 23.894 -8.972 -16.612 117 HG SER 656 HG SER 656 24.357 -8.917 -18.689 118 H ILE 657 H ILE 657 19.683 -9.183 -16.106 119 HA ILE 657 HA ILE 657 18.743 -6.593 -15.507 120 HB ILE 657 HB ILE 657 17.097 -7.763 -14.032 121 HG12 ILE 657 2HG1 ILE 657 17.740 -10.431 -15.002 122 HG13 ILE 657 1HG1 ILE 657 19.025 -9.773 -13.994 123 HG21 ILE 657 1HG2 ILE 657 16.787 -9.400 -16.374 124 HG22 ILE 657 2HG2 ILE 657 15.869 -7.981 -15.868 125 HG23 ILE 657 3HG2 ILE 657 17.343 -7.786 -16.819 126 HD11 ILE 657 3HD1 ILE 657 17.859 -10.414 -12.230 127 HD12 ILE 657 1HD1 ILE 657 16.663 -9.186 -12.640 128 HD13 ILE 657 2HD1 ILE 657 16.472 -10.834 -13.234 129 H ASP 658 H ASP 658 18.226 -5.831 -13.303 130 HA ASP 658 HA ASP 658 20.600 -5.761 -11.709 131 HB2 ASP 658 2HB ASP 658 18.908 -3.854 -12.101 132 HB3 ASP 658 1HB ASP 658 17.922 -4.656 -10.883 133 HA PRO 659 HA PRO 659 19.698 -9.234 -9.073 134 HB2 PRO 659 2HB PRO 659 21.225 -8.317 -6.944 135 HB3 PRO 659 1HB PRO 659 21.828 -9.286 -8.291 136 HG2 PRO 659 2HG PRO 659 21.965 -6.339 -7.859 137 HG3 PRO 659 1HG PRO 659 23.168 -7.428 -8.572 138 HD2 PRO 659 2HD PRO 659 21.649 -5.826 -10.093 139 HD3 PRO 659 1HD PRO 659 22.107 -7.456 -10.633 140 H GLY 660 H GLY 660 19.399 -5.872 -7.962 141 HA2 GLY 660 1HA GLY 660 16.864 -5.882 -7.109 142 HA3 GLY 660 2HA GLY 660 17.653 -6.714 -5.783 143 H ALA 661 H ALA 661 19.189 -4.088 -7.562 144 HA ALA 661 HA ALA 661 19.439 -2.544 -5.143 145 HB1 ALA 661 1HB ALA 661 21.283 -2.122 -6.392 146 HB2 ALA 661 2HB ALA 661 20.430 -2.328 -7.921 147 HB3 ALA 661 3HB ALA 661 20.269 -0.822 -7.018 148 H ASP 662 H ASP 662 17.102 -2.885 -7.536 149 HA ASP 662 HA ASP 662 15.660 -0.572 -6.465 150 HB2 ASP 662 2HB ASP 662 16.613 0.010 -8.707 151 HB3 ASP 662 1HB ASP 662 15.677 -1.315 -9.397 152 H LEU 663 H LEU 663 13.642 -1.071 -5.858 153 HA LEU 663 HA LEU 663 12.740 -3.803 -6.302 154 HB2 LEU 663 2HB LEU 663 11.337 -1.754 -4.616 155 HB3 LEU 663 1HB LEU 663 11.293 -3.500 -4.474 156 HG LEU 663 HG LEU 663 13.824 -1.959 -3.957 157 HD11 LEU 663 1HD1 LEU 663 13.211 -1.355 -1.878 158 HD12 LEU 663 2HD1 LEU 663 11.580 -1.432 -2.543 159 HD13 LEU 663 3HD1 LEU 663 12.226 -2.798 -1.636 160 HD21 LEU 663 3HD2 LEU 663 13.666 -4.513 -4.301 161 HD22 LEU 663 1HD2 LEU 663 14.569 -3.897 -2.917 162 HD23 LEU 663 2HD2 LEU 663 12.937 -4.524 -2.696 163 H SER 664 H SER 664 12.511 -2.812 -8.660 164 HA SER 664 HA SER 664 10.063 -1.392 -9.156 165 HB2 SER 664 2HB SER 664 10.978 -2.722 -11.497 166 HB3 SER 664 1HB SER 664 11.145 -1.014 -11.083 167 HG SER 664 HG SER 664 13.129 -1.370 -10.278 168 H GLN 665 H GLN 665 11.187 -4.709 -9.428 169 HA GLN 665 HA GLN 665 8.752 -5.745 -10.514 170 HB2 GLN 665 2HB GLN 665 10.363 -7.755 -9.203 171 HB3 GLN 665 1HB GLN 665 10.017 -7.556 -10.913 172 HG2 GLN 665 2HG GLN 665 12.310 -7.427 -10.873 173 HG3 GLN 665 1HG GLN 665 11.853 -5.728 -10.818 174 HE21 GLN 665 1HE2 GLN 665 14.167 -7.488 -9.760 175 HE22 GLN 665 2HE2 GLN 665 14.370 -6.921 -8.142 176 H TYR 666 H TYR 666 10.150 -5.363 -7.345 177 HA TYR 666 HA TYR 666 8.206 -7.024 -6.016 178 HB2 TYR 666 2HB TYR 666 10.292 -5.129 -4.914 179 HB3 TYR 666 1HB TYR 666 9.304 -6.213 -3.942 180 HD1 TYR 666 2HD TYR 666 9.364 -8.729 -5.356 181 HD2 TYR 666 1HD TYR 666 12.463 -5.858 -4.859 182 HE1 TYR 666 2HE TYR 666 11.047 -10.502 -5.638 183 HE2 TYR 666 1HE TYR 666 14.149 -7.620 -5.133 184 HH TYR 666 HH TYR 666 13.762 -10.343 -6.491 185 H LYS 667 H LYS 667 8.004 -4.030 -7.346 186 HA LYS 667 HA LYS 667 6.640 -2.671 -5.201 187 HB2 LYS 667 2HB LYS 667 8.039 -1.723 -7.248 188 HB3 LYS 667 1HB LYS 667 6.457 -1.709 -8.005 189 HG2 LYS 667 2HG LYS 667 5.935 -0.535 -5.602 190 HG3 LYS 667 1HG LYS 667 7.569 0.036 -5.947 191 HD2 LYS 667 2HD LYS 667 6.247 0.285 -8.372 192 HD3 LYS 667 1HD LYS 667 5.041 0.768 -7.177 193 HE2 LYS 667 2HE LYS 667 7.243 2.062 -6.257 194 HE3 LYS 667 1HE LYS 667 7.530 2.094 -7.996 195 HZ1 LYS 667 3HZ LYS 667 6.261 4.025 -7.088 196 HZ2 LYS 667 1HZ LYS 667 4.980 2.966 -6.758 197 HZ3 LYS 667 2HZ LYS 667 5.489 3.206 -8.357 198 H MET 668 H MET 668 4.509 -2.183 -5.076 199 HA MET 668 HA MET 668 2.704 -3.235 -7.118 200 HB2 MET 668 2HB MET 668 1.511 -4.574 -5.713 201 HB3 MET 668 1HB MET 668 3.059 -4.667 -4.890 202 HG2 MET 668 2HG MET 668 2.349 -3.003 -3.289 203 HG3 MET 668 1HG MET 668 0.829 -2.784 -4.150 204 HE1 MET 668 3HE MET 668 1.136 -3.092 -1.281 205 HE2 MET 668 1HE MET 668 -0.562 -3.532 -1.478 206 HE3 MET 668 2HE MET 668 0.520 -4.579 -0.562 207 H ASP 669 H ASP 669 1.260 -1.749 -7.719 208 HA ASP 669 HA ASP 669 1.226 0.727 -6.155 209 HB2 ASP 669 2HB ASP 669 1.255 0.154 -8.985 210 HB3 ASP 669 1HB ASP 669 -0.106 1.194 -8.573 211 H VAL 670 H VAL 670 -0.667 1.780 -5.620 212 HA VAL 670 HA VAL 670 -2.881 -0.054 -5.167 213 HB VAL 670 HB VAL 670 -2.729 2.746 -4.081 214 HG11 VAL 670 1HG1 VAL 670 -3.791 1.350 -2.118 215 HG12 VAL 670 2HG1 VAL 670 -4.767 1.892 -3.482 216 HG13 VAL 670 3HG1 VAL 670 -4.178 0.231 -3.425 217 HG21 VAL 670 3HG2 VAL 670 -1.714 0.686 -2.287 218 HG22 VAL 670 1HG2 VAL 670 -0.684 0.942 -3.695 219 HG23 VAL 670 2HG2 VAL 670 -1.082 2.294 -2.635 220 H THR 671 H THR 671 -4.266 -0.135 -6.827 221 HA THR 671 HA THR 671 -5.081 2.300 -8.191 222 HB THR 671 HB THR 671 -6.406 -0.349 -8.685 223 HG1 THR 671 1HG THR 671 -3.707 0.318 -9.136 224 HG21 THR 671 3HG2 THR 671 -6.720 2.056 -9.841 225 HG22 THR 671 1HG2 THR 671 -6.922 0.536 -10.717 226 HG23 THR 671 2HG2 THR 671 -5.406 1.430 -10.837 227 H VAL 672 H VAL 672 -6.521 3.547 -7.208 228 HA VAL 672 HA VAL 672 -8.214 2.439 -5.134 229 HB VAL 672 HB VAL 672 -8.280 5.302 -6.046 230 HG11 VAL 672 1HG1 VAL 672 -9.020 3.777 -3.590 231 HG12 VAL 672 2HG1 VAL 672 -8.551 5.473 -3.446 232 HG13 VAL 672 3HG1 VAL 672 -9.923 5.021 -4.458 233 HG21 VAL 672 3HG2 VAL 672 -6.413 4.423 -3.888 234 HG22 VAL 672 1HG2 VAL 672 -5.904 4.307 -5.573 235 HG23 VAL 672 2HG2 VAL 672 -6.366 5.869 -4.897 236 H ILE 673 H ILE 673 -10.173 1.672 -5.515 237 HA ILE 673 HA ILE 673 -11.557 2.385 -7.975 238 HB ILE 673 HB ILE 673 -12.122 0.328 -5.844 239 HG12 ILE 673 2HG1 ILE 673 -12.068 -0.803 -8.411 240 HG13 ILE 673 1HG1 ILE 673 -10.748 0.363 -8.397 241 HG21 ILE 673 1HG2 ILE 673 -14.174 -0.175 -6.726 242 HG22 ILE 673 2HG2 ILE 673 -14.153 1.574 -6.965 243 HG23 ILE 673 3HG2 ILE 673 -13.782 0.495 -8.311 244 HD11 ILE 673 3HD1 ILE 673 -10.081 -0.740 -6.177 245 HD12 ILE 673 1HD1 ILE 673 -11.145 -2.053 -6.683 246 HD13 ILE 673 2HD1 ILE 673 -9.760 -1.604 -7.680 247 H ASP 674 H ASP 674 -13.108 3.854 -8.072 248 HA ASP 674 HA ASP 674 -14.061 5.056 -5.605 249 HB2 ASP 674 2HB ASP 674 -15.136 6.721 -7.211 250 HB3 ASP 674 1HB ASP 674 -13.382 6.701 -7.145 251 H THR 675 H THR 675 -15.845 4.419 -4.699 252 HA THR 675 HA THR 675 -17.696 2.675 -6.038 253 HB THR 675 HB THR 675 -18.864 3.286 -3.635 254 HG1 THR 675 1HG THR 675 -16.648 3.071 -2.364 255 HG21 THR 675 3HG2 THR 675 -18.562 1.040 -4.190 256 HG22 THR 675 1HG2 THR 675 -17.494 1.258 -2.804 257 HG23 THR 675 2HG2 THR 675 -16.827 1.234 -4.438 258 H LYS 676 H LYS 676 -18.248 4.338 -7.682 259 HA LYS 676 HA LYS 676 -19.781 6.625 -6.899 260 HB2 LYS 676 2HB LYS 676 -20.256 5.882 -9.634 261 HB3 LYS 676 1HB LYS 676 -19.381 7.268 -9.001 262 HG2 LYS 676 2HG LYS 676 -17.412 6.388 -9.548 263 HG3 LYS 676 1HG LYS 676 -17.818 4.834 -8.817 264 HD2 LYS 676 2HD LYS 676 -17.398 4.510 -11.168 265 HD3 LYS 676 1HD LYS 676 -19.119 4.269 -10.851 266 HE2 LYS 676 2HE LYS 676 -18.613 7.027 -11.449 267 HE3 LYS 676 1HE LYS 676 -17.936 6.005 -12.718 268 HZ1 LYS 676 3HZ LYS 676 -20.566 5.191 -11.894 269 HZ2 LYS 676 1HZ LYS 676 -19.957 5.474 -13.450 270 HZ3 LYS 676 2HZ LYS 676 -20.533 6.769 -12.516 271 H ASP 677 H ASP 677 -20.713 3.832 -8.899 272 HA ASP 677 HA ASP 677 -23.502 4.269 -8.284 273 HB2 ASP 677 2HB ASP 677 -22.297 1.987 -9.863 274 HB3 ASP 677 1HB ASP 677 -23.962 2.554 -9.903 275 H GLY 678 H GLY 678 -23.103 3.902 -5.959 276 HA2 GLY 678 1HA GLY 678 -23.416 2.594 -4.093 277 HA3 GLY 678 2HA GLY 678 -23.867 1.275 -5.167 278 H SER 679 H SER 679 -22.431 -0.314 -5.586 279 HA SER 679 HA SER 679 -19.817 -0.115 -4.281 280 HB2 SER 679 2HB SER 679 -20.607 -2.713 -5.424 281 HB3 SER 679 1HB SER 679 -19.988 -2.327 -3.817 282 HG SER 679 HG SER 679 -22.076 -1.594 -3.262 283 H GLN 680 H GLN 680 -21.374 -0.654 -7.375 284 HA GLN 680 HA GLN 680 -19.142 0.130 -8.897 285 HB2 GLN 680 2HB GLN 680 -18.717 -2.375 -8.010 286 HB3 GLN 680 1HB GLN 680 -19.659 -2.742 -9.449 287 HG2 GLN 680 2HG GLN 680 -17.781 -2.604 -10.607 288 HG3 GLN 680 1HG GLN 680 -17.791 -0.869 -10.294 289 HE21 GLN 680 1HE2 GLN 680 -15.609 -0.620 -10.185 290 HE22 GLN 680 2HE2 GLN 680 -14.639 -1.290 -8.915 291 H SER 681 H SER 681 -19.757 0.573 -10.985 292 HA SER 681 HA SER 681 -22.502 0.534 -11.643 293 HB2 SER 681 2HB SER 681 -20.650 0.762 -13.907 294 HB3 SER 681 1HB SER 681 -21.855 1.909 -13.316 295 HG SER 681 HG SER 681 -20.412 2.811 -12.012 296 H LYS 682 H LYS 682 -19.890 -1.678 -12.183 297 HA LYS 682 HA LYS 682 -21.417 -3.239 -14.114 298 HB2 LYS 682 2HB LYS 682 -18.576 -3.260 -13.160 299 HB3 LYS 682 1HB LYS 682 -19.243 -4.687 -13.942 300 HG2 LYS 682 2HG LYS 682 -18.438 -3.681 -15.791 301 HG3 LYS 682 1HG LYS 682 -19.989 -2.842 -15.728 302 HD2 LYS 682 2HD LYS 682 -18.885 -1.021 -14.440 303 HD3 LYS 682 1HD LYS 682 -17.344 -1.844 -14.678 304 HE2 LYS 682 2HE LYS 682 -18.839 -1.463 -17.151 305 HE3 LYS 682 1HE LYS 682 -18.435 0.052 -16.343 306 HZ1 LYS 682 3HZ LYS 682 -16.766 -0.905 -17.989 307 HZ2 LYS 682 1HZ LYS 682 -16.396 -2.043 -16.784 308 HZ3 LYS 682 2HZ LYS 682 -16.169 -0.387 -16.487 309 H LEU 683 H LEU 683 -21.784 -2.937 -11.024 310 HA LEU 683 HA LEU 683 -21.559 -5.701 -10.183 311 HB2 LEU 683 2HB LEU 683 -21.229 -3.531 -8.770 312 HB3 LEU 683 1HB LEU 683 -22.977 -3.554 -8.649 313 HG LEU 683 HG LEU 683 -22.341 -6.114 -7.922 314 HD11 LEU 683 1HD1 LEU 683 -20.502 -5.992 -6.351 315 HD12 LEU 683 2HD1 LEU 683 -19.941 -5.560 -7.967 316 HD13 LEU 683 3HD1 LEU 683 -20.228 -4.300 -6.766 317 HD21 LEU 683 3HD2 LEU 683 -22.895 -3.581 -6.453 318 HD22 LEU 683 1HD2 LEU 683 -23.911 -5.006 -6.659 319 HD23 LEU 683 2HD2 LEU 683 -22.545 -5.052 -5.542 320 H GLY 684 H GLY 684 -24.005 -3.436 -11.264 321 HA2 GLY 684 1HA GLY 684 -26.041 -3.996 -12.256 322 HA3 GLY 684 2HA GLY 684 -25.837 -5.646 -11.690 323 H GLY 685 H GLY 685 -26.066 -5.958 -9.301 324 HA2 GLY 685 1HA GLY 685 -27.029 -5.354 -7.227 325 HA3 GLY 685 2HA GLY 685 -27.790 -3.975 -8.007 326 H GLY 901 H GLY 901 -28.044 -6.927 -9.703 327 HA2 GLY 901 1HA GLY 901 -29.744 -8.631 -9.263 328 HA3 GLY 901 2HA GLY 901 -30.754 -7.352 -8.608 329 H GLY 902 H GLY 902 -32.406 -8.011 -10.045 330 HA2 GLY 902 1HA GLY 902 -32.299 -6.603 -12.564 331 HA3 GLY 902 2HA GLY 902 -32.413 -8.351 -12.736 332 H SER 903 H SER 903 -34.129 -9.261 -11.047 333 HA SER 903 HA SER 903 -36.588 -7.709 -11.489 334 HB2 SER 903 2HB SER 903 -36.824 -10.494 -10.539 335 HB3 SER 903 1HB SER 903 -37.700 -9.667 -11.828 336 HG SER 903 HG SER 903 -36.124 -10.146 -13.245 337 H GLY 904 H GLY 904 -36.491 -6.350 -9.720 338 HA2 GLY 904 1HA GLY 904 -36.544 -7.680 -7.078 339 HA3 GLY 904 2HA GLY 904 -35.906 -6.062 -7.346 340 H GLY 905 H GLY 905 -37.196 -4.429 -6.929 341 HA2 GLY 905 1HA GLY 905 -39.911 -4.257 -7.628 342 HA3 GLY 905 2HA GLY 905 -39.813 -4.765 -5.946 343 H HIS 906 H HIS 906 -38.201 -3.432 -4.632 344 HA HIS 906 HA HIS 906 -38.543 -0.588 -5.335 345 HB2 HIS 906 2HB HIS 906 -39.629 -1.560 -3.198 346 HB3 HIS 906 1HB HIS 906 -37.990 -1.611 -2.556 347 HD1 HIS 906 1HD HIS 906 -37.928 0.298 -0.913 348 HD2 HIS 906 2HD HIS 906 -39.680 1.348 -4.540 349 HE1 HIS 906 1HE HIS 906 -38.337 2.792 -0.813 350 H MET 907 H MET 907 -36.780 0.704 -5.440 351 HA MET 907 HA MET 907 -34.192 -0.556 -5.498 352 HB2 MET 907 2HB MET 907 -34.944 1.234 -7.100 353 HB3 MET 907 1HB MET 907 -34.826 2.382 -5.775 354 HG2 MET 907 2HG MET 907 -32.870 2.240 -7.391 355 HG3 MET 907 1HG MET 907 -32.504 2.207 -5.669 356 HE1 MET 907 3HE MET 907 -30.930 1.258 -8.452 357 HE2 MET 907 1HE MET 907 -29.999 1.260 -6.955 358 HE3 MET 907 2HE MET 907 -30.063 -0.193 -7.950 359 H GLY 908 H GLY 908 -34.191 -1.204 -3.260 360 HA2 GLY 908 1HA GLY 908 -33.018 0.926 -1.592 361 HA3 GLY 908 2HA GLY 908 -34.179 -0.209 -0.913 362 H SER 909 H SER 909 -31.016 0.044 -2.435 363 HA SER 909 HA SER 909 -30.313 -2.689 -1.949 364 HB2 SER 909 2HB SER 909 -28.004 -1.130 -2.497 365 HB3 SER 909 1HB SER 909 -28.887 -2.183 -3.600 366 HG SER 909 HG SER 909 -28.714 0.468 -3.652 367 H GLY 910 H GLY 910 -30.996 -2.018 0.478 368 HA2 GLY 910 1HA GLY 910 -28.696 -1.051 1.990 369 HA3 GLY 910 2HA GLY 910 -30.277 -1.459 2.640 370 H GLY 911 H GLY 911 -28.980 -3.768 0.524 371 HA2 GLY 911 1HA GLY 911 -27.345 -5.220 2.350 372 HA3 GLY 911 2HA GLY 911 -28.968 -5.894 2.270 373 H LEU 18 H LEU 18 -25.950 -6.152 1.011 374 HA LEU 18 HA LEU 18 -26.832 -7.732 -1.212 375 HB2 LEU 18 2HB LEU 18 -26.452 -5.027 -1.682 376 HB3 LEU 18 1HB LEU 18 -24.948 -5.753 -2.209 377 HG LEU 18 HG LEU 18 -27.099 -7.302 -3.262 378 HD11 LEU 18 1HD1 LEU 18 -28.691 -5.719 -3.438 379 HD12 LEU 18 2HD1 LEU 18 -27.545 -4.393 -3.240 380 HD13 LEU 18 3HD1 LEU 18 -27.719 -5.181 -4.807 381 HD21 LEU 18 3HD2 LEU 18 -25.041 -7.337 -4.348 382 HD22 LEU 18 1HD2 LEU 18 -26.057 -6.364 -5.413 383 HD23 LEU 18 2HD2 LEU 18 -24.899 -5.582 -4.338 384 H SER 19 H SER 19 -24.626 -8.112 -2.624 385 HA SER 19 HA SER 19 -22.788 -9.266 -0.691 386 HB2 SER 19 2HB SER 19 -21.890 -9.985 -3.194 387 HB3 SER 19 1HB SER 19 -23.042 -10.910 -2.227 388 HG SER 19 HG SER 19 -24.113 -10.600 -4.097 389 H TRP 20 H TRP 20 -22.888 -6.837 -3.191 390 HA TRP 20 HA TRP 20 -21.431 -5.290 -3.969 391 HB2 TRP 20 2HB TRP 20 -19.925 -5.384 -1.373 392 HB3 TRP 20 1HB TRP 20 -20.303 -3.997 -2.386 393 HD1 TRP 20 HD TRP 20 -23.262 -3.743 -2.514 394 HE1 TRP 20 1HE TRP 20 -24.767 -3.549 -0.437 395 HE3 TRP 20 3HE TRP 20 -20.114 -5.760 0.969 396 HZ2 TRP 20 2HZ TRP 20 -24.641 -4.163 2.301 397 HZ3 TRP 20 3HZ TRP 20 -20.882 -5.914 3.302 398 HH2 TRP 20 HH TRP 20 -23.101 -5.129 3.956 399 H LYS 21 H LYS 21 -18.647 -5.587 -2.300 400 HA LYS 21 HA LYS 21 -17.442 -7.284 -4.381 401 HB2 LYS 21 2HB LYS 21 -16.809 -4.667 -3.449 402 HB3 LYS 21 1HB LYS 21 -15.493 -5.732 -2.981 403 HG2 LYS 21 2HG LYS 21 -15.161 -4.627 -5.170 404 HG3 LYS 21 1HG LYS 21 -15.127 -6.388 -5.252 405 HD2 LYS 21 2HD LYS 21 -17.646 -6.169 -5.819 406 HD3 LYS 21 1HD LYS 21 -17.245 -4.493 -6.197 407 HE2 LYS 21 2HE LYS 21 -16.993 -5.533 -8.249 408 HE3 LYS 21 1HE LYS 21 -15.346 -5.529 -7.622 409 HZ1 LYS 21 3HZ LYS 21 -16.292 -7.684 -8.624 410 HZ2 LYS 21 1HZ LYS 21 -17.115 -7.843 -7.147 411 HZ3 LYS 21 2HZ LYS 21 -15.422 -7.779 -7.168 412 H ARG 22 H ARG 22 -15.934 -8.856 -3.759 413 HA ARG 22 HA ARG 22 -16.124 -9.609 -0.936 414 HB2 ARG 22 2HB ARG 22 -16.466 -11.122 -3.188 415 HB3 ARG 22 1HB ARG 22 -14.791 -11.473 -2.779 416 HG2 ARG 22 2HG ARG 22 -16.907 -11.634 -0.676 417 HG3 ARG 22 1HG ARG 22 -16.686 -12.956 -1.823 418 HD2 ARG 22 2HD ARG 22 -14.116 -12.376 -1.003 419 HD3 ARG 22 1HD ARG 22 -15.068 -12.181 0.468 420 HE ARG 22 HE ARG 22 -15.446 -14.440 0.505 421 HH11 ARG 22 2HH1 ARG 22 -14.007 -13.542 -2.559 422 HH12 ARG 22 1HH1 ARG 22 -13.848 -15.180 -3.120 423 HH21 ARG 22 2HH2 ARG 22 -15.203 -16.616 -0.216 424 HH22 ARG 22 1HH2 ARG 22 -14.504 -16.919 -1.775 425 H CYS 23 H CYS 23 -14.375 -9.882 0.355 426 HA CYS 23 HA CYS 23 -11.957 -8.525 -0.553 427 HB2 CYS 23 2HB CYS 23 -13.027 -7.696 1.475 428 HB3 CYS 23 1HB CYS 23 -12.904 -9.288 2.214 429 H ALA 24 H ALA 24 -9.879 -9.312 -0.065 430 HA ALA 24 HA ALA 24 -9.705 -12.243 0.143 431 HB1 ALA 24 1HB ALA 24 -7.685 -10.276 -0.934 432 HB2 ALA 24 2HB ALA 24 -7.501 -12.028 -0.891 433 HB3 ALA 24 3HB ALA 24 -8.749 -11.300 -1.900 434 H GLY 25 H GLY 25 -9.489 -9.545 1.993 435 HA2 GLY 25 1HA GLY 25 -7.142 -10.388 3.532 436 HA3 GLY 25 2HA GLY 25 -8.010 -8.872 3.708 437 H CYS 26 H CYS 26 -10.623 -9.748 4.089 438 HA CYS 26 HA CYS 26 -10.285 -11.057 6.683 439 HB2 CYS 26 2HB CYS 26 -12.720 -10.241 7.046 440 HB3 CYS 26 1HB CYS 26 -11.404 -9.088 7.167 441 H GLY 27 H GLY 27 -12.402 -11.112 3.826 442 HA2 GLY 27 1HA GLY 27 -12.452 -13.428 2.842 443 HA3 GLY 27 2HA GLY 27 -12.895 -13.958 4.456 444 H GLY 28 H GLY 28 -14.544 -11.400 4.670 445 HA2 GLY 28 1HA GLY 28 -16.925 -12.579 3.464 446 HA3 GLY 28 2HA GLY 28 -16.895 -11.319 4.690 447 H LYS 29 H LYS 29 -18.256 -9.934 3.623 448 HA LYS 29 HA LYS 29 -17.524 -9.061 0.939 449 HB2 LYS 29 2HB LYS 29 -19.800 -7.808 2.384 450 HB3 LYS 29 1HB LYS 29 -19.673 -8.292 0.699 451 HG2 LYS 29 2HG LYS 29 -19.863 -10.662 1.446 452 HG3 LYS 29 1HG LYS 29 -20.185 -10.062 3.073 453 HD2 LYS 29 2HD LYS 29 -21.812 -9.046 0.785 454 HD3 LYS 29 1HD LYS 29 -22.166 -10.638 1.464 455 HE2 LYS 29 2HE LYS 29 -21.873 -8.966 3.670 456 HE3 LYS 29 1HE LYS 29 -22.772 -8.004 2.496 457 HZ1 LYS 29 3HZ LYS 29 -23.569 -10.389 3.943 458 HZ2 LYS 29 1HZ LYS 29 -24.060 -10.324 2.321 459 HZ3 LYS 29 2HZ LYS 29 -24.506 -9.088 3.393 460 H ILE 30 H ILE 30 -16.936 -6.977 0.438 461 HA ILE 30 HA ILE 30 -15.636 -5.488 2.524 462 HB ILE 30 HB ILE 30 -16.074 -4.847 -0.403 463 HG12 ILE 30 2HG1 ILE 30 -13.530 -5.640 1.019 464 HG13 ILE 30 1HG1 ILE 30 -14.582 -6.800 0.213 465 HG21 ILE 30 1HG2 ILE 30 -13.971 -3.445 1.131 466 HG22 ILE 30 2HG2 ILE 30 -14.981 -2.872 -0.195 467 HG23 ILE 30 3HG2 ILE 30 -15.634 -2.951 1.442 468 HD11 ILE 30 3HD1 ILE 30 -13.283 -6.443 -1.560 469 HD12 ILE 30 1HD1 ILE 30 -14.175 -4.933 -1.738 470 HD13 ILE 30 2HD1 ILE 30 -12.625 -4.947 -0.894 471 H ALA 31 H ALA 31 -16.864 -4.406 3.918 472 HA ALA 31 HA ALA 31 -19.183 -2.931 2.906 473 HB1 ALA 31 1HB ALA 31 -20.208 -3.729 4.706 474 HB2 ALA 31 2HB ALA 31 -18.701 -4.432 5.297 475 HB3 ALA 31 3HB ALA 31 -19.118 -2.770 5.710 476 H ASP 32 H ASP 32 -16.166 -2.338 2.987 477 HA ASP 32 HA ASP 32 -16.053 0.159 4.431 478 HB2 ASP 32 2HB ASP 32 -14.135 -1.569 3.583 479 HB3 ASP 32 1HB ASP 32 -14.078 -0.373 2.293 480 H ARG 33 H ARG 33 -15.192 2.101 2.991 481 HA ARG 33 HA ARG 33 -17.347 2.575 1.122 482 HB2 ARG 33 2HB ARG 33 -15.724 4.191 2.798 483 HB3 ARG 33 1HB ARG 33 -15.475 4.731 1.141 484 HG2 ARG 33 2HG ARG 33 -18.254 4.309 1.518 485 HG3 ARG 33 1HG ARG 33 -17.653 5.273 2.869 486 HD2 ARG 33 2HD ARG 33 -16.961 7.002 1.492 487 HD3 ARG 33 1HD ARG 33 -16.870 5.965 0.068 488 HE ARG 33 HE ARG 33 -19.067 6.419 -0.364 489 HH11 ARG 33 2HH1 ARG 33 -18.390 7.283 2.972 490 HH12 ARG 33 1HH1 ARG 33 -19.956 7.981 3.240 491 HH21 ARG 33 2HH2 ARG 33 -21.141 7.349 0.001 492 HH22 ARG 33 1HH2 ARG 33 -21.509 8.017 1.566 493 H PHE 34 H PHE 34 -13.825 3.074 0.931 494 HA PHE 34 HA PHE 34 -14.047 2.660 -1.966 495 HB2 PHE 34 2HB PHE 34 -12.312 4.317 -0.251 496 HB3 PHE 34 1HB PHE 34 -11.504 3.547 -1.615 497 HD1 PHE 34 2HD PHE 34 -14.947 4.910 -1.303 498 HD2 PHE 34 1HD PHE 34 -11.143 5.210 -3.177 499 HE1 PHE 34 2HE PHE 34 -15.834 6.633 -2.811 500 HE2 PHE 34 1HE PHE 34 -12.020 6.937 -4.691 501 HZ PHE 34 HZ PHE 34 -14.372 7.641 -4.514 502 H LEU 35 H LEU 35 -13.342 0.840 -2.850 503 HA LEU 35 HA LEU 35 -11.604 -0.910 -1.292 504 HB2 LEU 35 2HB LEU 35 -11.986 -2.391 -3.447 505 HB3 LEU 35 1HB LEU 35 -13.167 -2.320 -2.156 506 HG LEU 35 HG LEU 35 -13.577 -0.323 -4.273 507 HD11 LEU 35 1HD1 LEU 35 -14.325 -3.121 -4.973 508 HD12 LEU 35 2HD1 LEU 35 -14.117 -1.715 -6.017 509 HD13 LEU 35 3HD1 LEU 35 -12.705 -2.539 -5.355 510 HD21 LEU 35 3HD2 LEU 35 -15.898 -1.232 -4.057 511 HD22 LEU 35 1HD2 LEU 35 -15.287 -2.338 -2.827 512 HD23 LEU 35 2HD2 LEU 35 -15.217 -0.596 -2.559 513 H LEU 36 H LEU 36 -9.648 -1.738 -2.163 514 HA LEU 36 HA LEU 36 -8.460 0.057 -4.170 515 HB2 LEU 36 2HB LEU 36 -6.979 -0.864 -1.720 516 HB3 LEU 36 1HB LEU 36 -6.512 0.380 -2.865 517 HG LEU 36 HG LEU 36 -9.004 1.150 -1.740 518 HD11 LEU 36 1HD1 LEU 36 -7.640 -0.480 0.059 519 HD12 LEU 36 2HD1 LEU 36 -7.280 1.171 0.568 520 HD13 LEU 36 3HD1 LEU 36 -8.955 0.641 0.416 521 HD21 LEU 36 3HD2 LEU 36 -6.509 2.239 -2.394 522 HD22 LEU 36 1HD2 LEU 36 -7.953 3.102 -1.866 523 HD23 LEU 36 2HD2 LEU 36 -6.753 2.585 -0.681 524 H TYR 37 H TYR 37 -6.970 -0.799 -5.514 525 HA TYR 37 HA TYR 37 -6.608 -3.697 -5.536 526 HB2 TYR 37 2HB TYR 37 -6.437 -1.498 -7.469 527 HB3 TYR 37 1HB TYR 37 -5.102 -2.634 -7.600 528 HD1 TYR 37 1HD TYR 37 -6.468 -5.181 -6.952 529 HD2 TYR 37 2HD TYR 37 -7.710 -1.898 -9.343 530 HE1 TYR 37 1HE TYR 37 -7.881 -6.695 -8.271 531 HE2 TYR 37 2HE TYR 37 -9.128 -3.383 -10.669 532 HH TYR 37 HH TYR 37 -8.915 -6.251 -11.097 533 H ALA 38 H ALA 38 -4.770 -4.648 -4.854 534 HA ALA 38 HA ALA 38 -2.433 -2.917 -4.394 535 HB1 ALA 38 1HB ALA 38 -1.831 -4.249 -2.504 536 HB2 ALA 38 2HB ALA 38 -3.521 -3.776 -2.321 537 HB3 ALA 38 3HB ALA 38 -3.113 -5.410 -2.848 538 H MET 39 H MET 39 -2.668 -6.412 -4.175 539 HA MET 39 HA MET 39 -0.422 -6.671 -5.970 540 HB2 MET 39 2HB MET 39 -1.943 -8.523 -4.173 541 HB3 MET 39 1HB MET 39 -0.899 -9.188 -5.419 542 HG2 MET 39 2HG MET 39 1.002 -7.971 -4.479 543 HG3 MET 39 1HG MET 39 -0.051 -7.309 -3.227 544 HE1 MET 39 3HE MET 39 0.636 -9.596 -0.481 545 HE2 MET 39 1HE MET 39 1.477 -8.231 -1.217 546 HE3 MET 39 2HE MET 39 -0.281 -8.204 -1.062 547 H ASP 40 H ASP 40 -3.819 -7.681 -5.878 548 HA ASP 40 HA ASP 40 -4.229 -7.726 -8.637 549 HB2 ASP 40 2HB ASP 40 -4.071 -10.013 -9.245 550 HB3 ASP 40 1HB ASP 40 -2.572 -9.660 -8.396 551 H SER 41 H SER 41 -5.092 -8.415 -5.440 552 HA SER 41 HA SER 41 -7.779 -9.300 -6.166 553 HB2 SER 41 2HB SER 41 -7.325 -9.295 -3.343 554 HB3 SER 41 1HB SER 41 -7.541 -10.678 -4.415 555 HG SER 41 HG SER 41 -5.238 -10.450 -4.911 556 H TYR 42 H TYR 42 -9.523 -8.430 -4.634 557 HA TYR 42 HA TYR 42 -9.308 -5.526 -4.542 558 HB2 TYR 42 2HB TYR 42 -11.658 -7.378 -4.084 559 HB3 TYR 42 1HB TYR 42 -11.744 -5.624 -3.998 560 HD1 TYR 42 2HD TYR 42 -10.954 -8.429 -6.303 561 HD2 TYR 42 1HD TYR 42 -12.125 -4.355 -5.935 562 HE1 TYR 42 2HE TYR 42 -11.397 -8.346 -8.719 563 HE2 TYR 42 1HE TYR 42 -12.562 -4.258 -8.353 564 HH TYR 42 HH TYR 42 -11.417 -6.403 -10.508 565 H TRP 43 H TRP 43 -9.079 -4.394 -2.718 566 HA TRP 43 HA TRP 43 -9.482 -5.766 -0.147 567 HB2 TRP 43 2HB TRP 43 -7.271 -3.759 -0.546 568 HB3 TRP 43 1HB TRP 43 -7.475 -4.915 0.761 569 HD1 TRP 43 HD TRP 43 -6.577 -4.910 -3.012 570 HE1 TRP 43 1HE TRP 43 -5.002 -6.894 -3.442 571 HE3 TRP 43 3HE TRP 43 -6.577 -6.977 1.658 572 HZ2 TRP 43 2HZ TRP 43 -3.884 -9.039 -1.996 573 HZ3 TRP 43 3HZ TRP 43 -5.223 -8.996 2.057 574 HH2 TRP 43 HH TRP 43 -3.903 -10.003 0.260 575 H HIS 44 H HIS 44 -9.437 -4.068 1.664 576 HA HIS 44 HA HIS 44 -10.409 -1.440 0.830 577 HB2 HIS 44 2HB HIS 44 -12.095 -1.499 2.742 578 HB3 HIS 44 1HB HIS 44 -12.496 -2.495 1.349 579 HD1 HIS 44 1HD HIS 44 -13.256 -2.827 4.621 580 HD2 HIS 44 2HD HIS 44 -10.811 -5.130 2.173 581 HE1 HIS 44 1HE HIS 44 -13.063 -5.121 5.724 582 H SER 45 H SER 45 -10.496 -0.013 2.946 583 HA SER 45 HA SER 45 -7.882 0.489 3.548 584 HB2 SER 45 2HB SER 45 -9.628 1.312 5.722 585 HB3 SER 45 1HB SER 45 -8.755 2.292 4.545 586 HG SER 45 HG SER 45 -11.334 1.140 4.349 587 H ARG 46 H ARG 46 -10.073 -1.584 5.399 588 HA ARG 46 HA ARG 46 -8.395 -1.684 7.694 589 HB2 ARG 46 2HB ARG 46 -11.013 -2.262 7.209 590 HB3 ARG 46 1HB ARG 46 -10.321 -3.873 7.365 591 HG2 ARG 46 2HG ARG 46 -9.351 -2.098 9.414 592 HG3 ARG 46 1HG ARG 46 -11.112 -2.194 9.418 593 HD2 ARG 46 2HD ARG 46 -9.604 -4.735 9.152 594 HD3 ARG 46 1HD ARG 46 -9.589 -3.945 10.729 595 HE ARG 46 HE ARG 46 -11.992 -4.107 10.764 596 HH11 ARG 46 2HH1 ARG 46 -10.326 -6.074 8.388 597 HH12 ARG 46 1HH1 ARG 46 -11.710 -7.074 8.068 598 HH21 ARG 46 2HH2 ARG 46 -13.809 -5.427 10.356 599 HH22 ARG 46 1HH2 ARG 46 -13.699 -6.692 9.159 600 H CYS 47 H CYS 47 -8.736 -3.779 4.868 601 HA CYS 47 HA CYS 47 -6.985 -5.750 6.139 602 HB2 CYS 47 2HB CYS 47 -8.711 -5.841 3.683 603 HB3 CYS 47 1HB CYS 47 -7.498 -7.072 4.011 604 H LEU 48 H LEU 48 -7.081 -3.470 3.476 605 HA LEU 48 HA LEU 48 -4.622 -4.360 2.328 606 HB2 LEU 48 2HB LEU 48 -6.647 -2.861 1.390 607 HB3 LEU 48 1HB LEU 48 -5.553 -1.582 1.878 608 HG LEU 48 HG LEU 48 -5.539 -3.057 -0.522 609 HD11 LEU 48 1HD1 LEU 48 -3.958 -1.474 -1.185 610 HD12 LEU 48 2HD1 LEU 48 -4.965 -0.656 0.012 611 HD13 LEU 48 3HD1 LEU 48 -3.368 -1.251 0.462 612 HD21 LEU 48 3HD2 LEU 48 -3.450 -3.928 1.388 613 HD22 LEU 48 1HD2 LEU 48 -4.174 -4.786 0.027 614 HD23 LEU 48 2HD2 LEU 48 -2.928 -3.569 -0.258 615 H LYS 49 H LYS 49 -3.533 -4.434 4.404 616 HA LYS 49 HA LYS 49 -2.072 -1.949 4.888 617 HB2 LYS 49 2HB LYS 49 -3.051 -3.638 7.193 618 HB3 LYS 49 1HB LYS 49 -2.330 -2.037 7.249 619 HG2 LYS 49 2HG LYS 49 -4.553 -1.576 5.754 620 HG3 LYS 49 1HG LYS 49 -5.117 -2.840 6.849 621 HD2 LYS 49 2HD LYS 49 -3.553 -0.873 8.260 622 HD3 LYS 49 1HD LYS 49 -4.887 -0.113 7.392 623 HE2 LYS 49 2HE LYS 49 -6.448 -1.054 8.715 624 HE3 LYS 49 1HE LYS 49 -5.578 -2.583 8.818 625 HZ1 LYS 49 3HZ LYS 49 -5.445 -1.788 10.950 626 HZ2 LYS 49 1HZ LYS 49 -5.282 -0.168 10.476 627 HZ3 LYS 49 2HZ LYS 49 -3.978 -1.238 10.305 628 H CYS 50 H CYS 50 -0.295 -2.510 6.557 629 HA CYS 50 HA CYS 50 1.358 -4.573 5.549 630 HB2 CYS 50 2HB CYS 50 2.029 -2.400 6.644 631 HB3 CYS 50 1HB CYS 50 1.557 -3.105 8.177 632 H SER 51 H SER 51 1.681 -6.636 6.306 633 HA SER 51 HA SER 51 -0.131 -7.677 8.295 634 HB2 SER 51 2HB SER 51 1.530 -9.744 7.883 635 HB3 SER 51 1HB SER 51 0.222 -9.347 6.772 636 HG SER 51 HG SER 51 1.718 -8.231 5.484 637 H SER 52 H SER 52 2.806 -6.075 8.372 638 HA SER 52 HA SER 52 3.768 -7.487 10.744 639 HB2 SER 52 2HB SER 52 5.431 -5.275 9.860 640 HB3 SER 52 1HB SER 52 5.829 -6.986 10.024 641 HG SER 52 HG SER 52 4.658 -5.660 7.806 642 H CYS 53 H CYS 53 3.109 -4.102 9.725 643 HA CYS 53 HA CYS 53 2.885 -3.479 12.590 644 HB2 CYS 53 2HB CYS 53 3.519 -1.204 12.116 645 HB3 CYS 53 1HB CYS 53 4.718 -2.290 11.434 646 H GLN 54 H GLN 54 1.184 -3.770 9.723 647 HA GLN 54 HA GLN 54 -0.977 -3.510 9.149 648 HB2 GLN 54 2HB GLN 54 -0.966 -3.981 11.972 649 HB3 GLN 54 1HB GLN 54 -2.282 -2.884 11.572 650 HG2 GLN 54 2HG GLN 54 -2.006 -5.201 9.793 651 HG3 GLN 54 1HG GLN 54 -2.440 -5.576 11.460 652 HE21 GLN 54 1HE2 GLN 54 -3.806 -5.370 8.658 653 HE22 GLN 54 2HE2 GLN 54 -5.319 -4.619 9.054 654 H ALA 55 H ALA 55 0.744 -1.122 9.247 655 HA ALA 55 HA ALA 55 -0.838 1.125 9.937 656 HB1 ALA 55 1HB ALA 55 0.674 2.362 8.402 657 HB2 ALA 55 2HB ALA 55 1.535 1.375 9.584 658 HB3 ALA 55 3HB ALA 55 1.382 0.823 7.916 659 H GLN 56 H GLN 56 -2.122 2.462 8.601 660 HA GLN 56 HA GLN 56 -3.847 1.065 6.865 661 HB2 GLN 56 2HB GLN 56 -3.461 3.994 7.441 662 HB3 GLN 56 1HB GLN 56 -4.675 3.417 6.313 663 HG2 GLN 56 2HG GLN 56 -4.625 2.240 9.034 664 HG3 GLN 56 1HG GLN 56 -5.231 3.882 8.842 665 HE21 GLN 56 1HE2 GLN 56 -6.824 4.090 6.949 666 HE22 GLN 56 2HE2 GLN 56 -8.031 2.855 6.861 667 H LEU 57 H LEU 57 -2.608 0.137 5.204 668 HA LEU 57 HA LEU 57 -0.871 1.664 3.539 669 HB2 LEU 57 2HB LEU 57 -1.706 -1.089 3.823 670 HB3 LEU 57 1HB LEU 57 -1.665 -0.629 2.134 671 HG LEU 57 HG LEU 57 0.677 0.050 2.376 672 HD11 LEU 57 1HD1 LEU 57 0.522 0.621 4.808 673 HD12 LEU 57 2HD1 LEU 57 0.567 -1.111 5.150 674 HD13 LEU 57 3HD1 LEU 57 1.937 -0.332 4.356 675 HD21 LEU 57 3HD2 LEU 57 0.599 -2.688 3.513 676 HD22 LEU 57 1HD2 LEU 57 -0.217 -2.395 1.979 677 HD23 LEU 57 2HD2 LEU 57 1.507 -2.062 2.136 678 H GLY 58 H GLY 58 -4.258 1.051 3.569 679 HA2 GLY 58 1HA GLY 58 -4.606 1.824 0.791 680 HA3 GLY 58 2HA GLY 58 -5.872 1.343 1.909 681 H ASP 59 H ASP 59 -4.016 3.522 3.531 682 HA ASP 59 HA ASP 59 -5.875 5.683 2.843 683 HB2 ASP 59 2HB ASP 59 -4.837 4.703 5.340 684 HB3 ASP 59 1HB ASP 59 -4.421 6.406 5.145 685 H ILE 60 H ILE 60 -3.165 4.786 1.693 686 HA ILE 60 HA ILE 60 -2.227 7.521 1.287 687 HB ILE 60 HB ILE 60 0.131 6.035 1.221 688 HG12 ILE 60 2HG1 ILE 60 -0.606 5.583 3.992 689 HG13 ILE 60 1HG1 ILE 60 -1.607 4.636 2.897 690 HG21 ILE 60 1HG2 ILE 60 0.906 7.625 2.671 691 HG22 ILE 60 2HG2 ILE 60 -0.546 8.421 2.064 692 HG23 ILE 60 3HG2 ILE 60 -0.569 7.624 3.637 693 HD11 ILE 60 3HD1 ILE 60 0.325 3.594 1.943 694 HD12 ILE 60 1HD1 ILE 60 1.402 4.650 2.854 695 HD13 ILE 60 2HD1 ILE 60 0.416 3.456 3.699 696 H GLY 61 H GLY 61 -1.563 7.916 -0.769 697 HA2 GLY 61 1HA GLY 61 -2.085 5.841 -2.728 698 HA3 GLY 61 2HA GLY 61 -1.705 7.526 -3.064 699 H THR 62 H THR 62 0.262 5.573 -0.954 700 HA THR 62 HA THR 62 2.469 5.800 -2.864 701 HB THR 62 HB THR 62 3.271 4.740 -0.311 702 HG1 THR 62 1HG THR 62 1.854 7.228 -0.239 703 HG21 THR 62 3HG2 THR 62 3.791 7.401 -1.636 704 HG22 THR 62 1HG2 THR 62 4.716 5.926 -1.905 705 HG23 THR 62 2HG2 THR 62 4.730 6.697 -0.319 706 H SER 63 H SER 63 3.301 4.049 -3.833 707 HA SER 63 HA SER 63 1.988 1.557 -3.686 708 HB2 SER 63 2HB SER 63 4.690 1.537 -4.829 709 HB3 SER 63 1HB SER 63 3.145 1.110 -5.566 710 HG SER 63 HG SER 63 2.846 3.137 -6.215 711 H SER 64 H SER 64 2.447 -0.278 -2.632 712 HA SER 64 HA SER 64 4.583 -0.221 -0.634 713 HB2 SER 64 2HB SER 64 2.843 -2.577 -0.671 714 HB3 SER 64 1HB SER 64 3.185 -1.460 0.654 715 HG SER 64 HG SER 64 1.709 0.016 -0.469 716 H TYR 65 H TYR 65 5.295 -2.772 -0.286 717 HA TYR 65 HA TYR 65 6.132 -3.752 -2.930 718 HB2 TYR 65 2HB TYR 65 7.934 -3.665 -0.503 719 HB3 TYR 65 1HB TYR 65 8.365 -4.209 -2.119 720 HD1 TYR 65 2HD TYR 65 8.220 -2.437 -4.014 721 HD2 TYR 65 1HD TYR 65 8.321 -1.471 0.127 722 HE1 TYR 65 2HE TYR 65 8.969 -0.161 -4.568 723 HE2 TYR 65 1HE TYR 65 9.078 0.800 -0.415 724 HH TYR 65 HH TYR 65 9.942 1.736 -3.680 725 H THR 66 H THR 66 6.840 -6.004 -2.908 726 HA THR 66 HA THR 66 6.070 -7.575 -0.596 727 HB THR 66 HB THR 66 4.023 -7.316 -2.087 728 HG1 THR 66 1HG THR 66 3.912 -8.989 -0.699 729 HG21 THR 66 3HG2 THR 66 4.716 -7.486 -4.287 730 HG22 THR 66 1HG2 THR 66 4.110 -9.113 -3.983 731 HG23 THR 66 2HG2 THR 66 5.846 -8.797 -3.941 732 H LYS 67 H LYS 67 6.465 -9.981 -1.175 733 HA LYS 67 HA LYS 67 8.507 -10.491 -3.129 734 HB2 LYS 67 2HB LYS 67 9.490 -9.502 -0.818 735 HB3 LYS 67 1HB LYS 67 9.398 -11.203 -0.389 736 HG2 LYS 67 2HG LYS 67 10.764 -11.752 -2.364 737 HG3 LYS 67 1HG LYS 67 10.898 -10.031 -2.723 738 HD2 LYS 67 2HD LYS 67 12.041 -9.646 -0.625 739 HD3 LYS 67 1HD LYS 67 11.819 -11.332 -0.160 740 HE2 LYS 67 2HE LYS 67 13.972 -11.390 -0.945 741 HE3 LYS 67 1HE LYS 67 13.080 -11.791 -2.412 742 HZ1 LYS 67 3HZ LYS 67 13.288 -9.559 -3.173 743 HZ2 LYS 67 1HZ LYS 67 14.832 -10.087 -2.724 744 HZ3 LYS 67 2HZ LYS 67 13.968 -9.041 -1.710 745 H SER 68 H SER 68 7.585 -11.860 0.016 746 HA SER 68 HA SER 68 7.166 -14.451 -1.220 747 HB2 SER 68 2HB SER 68 6.623 -14.149 1.656 748 HB3 SER 68 1HB SER 68 7.671 -15.296 0.818 749 HG SER 68 HG SER 68 9.309 -14.045 1.201 750 H GLY 69 H GLY 69 5.277 -12.469 -1.967 751 HA2 GLY 69 1HA GLY 69 3.011 -12.300 -2.293 752 HA3 GLY 69 2HA GLY 69 2.880 -13.899 -1.577 753 H MET 70 H MET 70 4.232 -11.158 0.122 754 HA MET 70 HA MET 70 1.926 -11.264 1.953 755 HB2 MET 70 2HB MET 70 4.528 -11.928 2.527 756 HB3 MET 70 1HB MET 70 4.455 -10.248 3.051 757 HG2 MET 70 2HG MET 70 3.086 -10.704 4.778 758 HG3 MET 70 1HG MET 70 2.217 -11.962 3.899 759 HE1 MET 70 3HE MET 70 6.225 -12.229 5.984 760 HE2 MET 70 1HE MET 70 6.382 -12.605 4.267 761 HE3 MET 70 2HE MET 70 5.701 -11.058 4.775 762 H ILE 71 H ILE 71 0.938 -9.384 2.464 763 HA ILE 71 HA ILE 71 1.741 -6.961 1.126 764 HB ILE 71 HB ILE 71 -0.200 -6.333 3.091 765 HG12 ILE 71 2HG1 ILE 71 -1.775 -8.227 1.762 766 HG13 ILE 71 1HG1 ILE 71 -0.341 -9.105 2.286 767 HG21 ILE 71 1HG2 ILE 71 -1.508 -5.700 1.263 768 HG22 ILE 71 2HG2 ILE 71 0.153 -5.510 0.702 769 HG23 ILE 71 3HG2 ILE 71 -0.788 -6.919 0.211 770 HD11 ILE 71 3HD1 ILE 71 -2.104 -7.449 4.065 771 HD12 ILE 71 1HD1 ILE 71 -2.145 -9.206 3.924 772 HD13 ILE 71 2HD1 ILE 71 -0.711 -8.405 4.568 773 H LEU 72 H LEU 72 3.414 -5.852 1.866 774 HA LEU 72 HA LEU 72 3.596 -5.323 4.752 775 HB2 LEU 72 2HB LEU 72 5.507 -6.641 3.002 776 HB3 LEU 72 1HB LEU 72 6.201 -5.224 3.764 777 HG LEU 72 HG LEU 72 5.298 -6.248 5.967 778 HD11 LEU 72 1HD1 LEU 72 4.878 -8.522 6.057 779 HD12 LEU 72 2HD1 LEU 72 4.027 -8.020 4.597 780 HD13 LEU 72 3HD1 LEU 72 5.593 -8.823 4.474 781 HD21 LEU 72 3HD2 LEU 72 7.364 -7.386 6.310 782 HD22 LEU 72 1HD2 LEU 72 7.575 -7.654 4.580 783 HD23 LEU 72 2HD2 LEU 72 7.688 -6.021 5.241 784 H CYS 73 H CYS 73 4.440 -3.252 5.302 785 HA CYS 73 HA CYS 73 4.039 -1.242 3.318 786 HB2 CYS 73 2HB CYS 73 4.604 0.360 5.032 787 HB3 CYS 73 1HB CYS 73 3.575 -0.877 5.740 788 H ARG 74 H ARG 74 5.717 0.439 2.891 789 HA ARG 74 HA ARG 74 7.885 -0.699 1.539 790 HB2 ARG 74 2HB ARG 74 8.409 2.058 2.255 791 HB3 ARG 74 1HB ARG 74 8.108 1.355 0.675 792 HG2 ARG 74 2HG ARG 74 5.883 1.852 0.719 793 HG3 ARG 74 1HG ARG 74 5.790 1.792 2.480 794 HD2 ARG 74 2HD ARG 74 6.961 3.980 0.770 795 HD3 ARG 74 1HD ARG 74 5.539 4.069 1.812 796 HE ARG 74 HE ARG 74 7.005 3.937 3.725 797 HH11 ARG 74 2HH1 ARG 74 8.564 4.502 0.648 798 HH12 ARG 74 1HH1 ARG 74 9.999 5.191 1.340 799 HH21 ARG 74 2HH2 ARG 74 8.880 4.873 4.664 800 HH22 ARG 74 1HH2 ARG 74 10.195 5.376 3.635 801 H ASN 75 H ASN 75 7.620 0.697 4.738 802 HA ASN 75 HA ASN 75 10.421 0.797 5.253 803 HB2 ASN 75 2HB ASN 75 8.457 2.089 6.387 804 HB3 ASN 75 1HB ASN 75 8.338 0.663 7.411 805 HD21 ASN 75 1HD2 ASN 75 8.837 2.148 9.132 806 HD22 ASN 75 2HD2 ASN 75 10.489 2.558 9.450 807 H ASP 76 H ASP 76 7.831 -1.479 6.041 808 HA ASP 76 HA ASP 76 9.457 -3.054 7.788 809 HB2 ASP 76 2HB ASP 76 6.688 -3.041 6.907 810 HB3 ASP 76 1HB ASP 76 7.340 -4.674 7.013 811 H TYR 77 H TYR 77 8.513 -3.279 4.402 812 HA TYR 77 HA TYR 77 9.271 -5.925 3.939 813 HB2 TYR 77 2HB TYR 77 8.042 -4.846 2.217 814 HB3 TYR 77 1HB TYR 77 9.217 -3.537 2.097 815 HD1 TYR 77 1HD TYR 77 9.319 -7.274 1.948 816 HD2 TYR 77 2HD TYR 77 10.481 -3.592 0.164 817 HE1 TYR 77 1HE TYR 77 10.530 -8.506 0.201 818 HE2 TYR 77 2HE TYR 77 11.696 -4.816 -1.587 819 HH TYR 77 HH TYR 77 12.837 -7.331 -1.600 820 H ILE 78 H ILE 78 11.191 -2.955 3.689 821 HA ILE 78 HA ILE 78 13.538 -4.291 2.787 822 HB ILE 78 HB ILE 78 13.435 -1.595 4.145 823 HG12 ILE 78 2HG1 ILE 78 13.140 -2.173 1.190 824 HG13 ILE 78 1HG1 ILE 78 11.784 -1.827 2.258 825 HG21 ILE 78 1HG2 ILE 78 15.637 -2.875 3.605 826 HG22 ILE 78 2HG2 ILE 78 15.298 -2.386 1.945 827 HG23 ILE 78 3HG2 ILE 78 15.501 -1.164 3.201 828 HD11 ILE 78 3HD1 ILE 78 12.677 0.377 2.716 829 HD12 ILE 78 1HD1 ILE 78 14.085 0.033 1.712 830 HD13 ILE 78 2HD1 ILE 78 12.483 0.135 0.981 831 H ARG 79 H ARG 79 12.207 -3.556 5.915 832 HA ARG 79 HA ARG 79 14.593 -4.080 7.405 833 HB2 ARG 79 2HB ARG 79 11.703 -3.679 8.068 834 HB3 ARG 79 1HB ARG 79 12.766 -4.376 9.284 835 HG2 ARG 79 2HG ARG 79 13.955 -2.439 9.554 836 HG3 ARG 79 1HG ARG 79 13.601 -1.864 7.921 837 HD2 ARG 79 2HD ARG 79 11.565 -1.012 8.520 838 HD3 ARG 79 1HD ARG 79 11.336 -2.180 9.820 839 HE ARG 79 HE ARG 79 12.918 0.297 9.952 840 HH11 ARG 79 2HH1 ARG 79 11.496 -2.491 11.541 841 HH12 ARG 79 1HH1 ARG 79 11.770 -1.874 13.141 842 HH21 ARG 79 2HH2 ARG 79 13.255 1.120 12.066 843 HH22 ARG 79 1HH2 ARG 79 12.739 0.187 13.443 844 H LEU 80 H LEU 80 11.911 -5.973 6.220 845 HA LEU 80 HA LEU 80 12.625 -8.278 7.838 846 HB2 LEU 80 2HB LEU 80 10.250 -7.335 6.868 847 HB3 LEU 80 1HB LEU 80 10.607 -8.621 5.730 848 HG LEU 80 HG LEU 80 10.717 -9.124 8.691 849 HD11 LEU 80 1HD1 LEU 80 8.322 -8.773 6.967 850 HD12 LEU 80 2HD1 LEU 80 8.313 -10.070 8.164 851 HD13 LEU 80 3HD1 LEU 80 8.553 -8.398 8.676 852 HD21 LEU 80 3HD2 LEU 80 9.932 -11.402 7.758 853 HD22 LEU 80 1HD2 LEU 80 10.462 -10.770 6.202 854 HD23 LEU 80 2HD2 LEU 80 11.614 -10.928 7.527 855 H PHE 81 H PHE 81 12.426 -7.451 4.382 856 HA PHE 81 HA PHE 81 14.013 -9.874 3.822 857 HB2 PHE 81 2HB PHE 81 12.080 -8.452 1.975 858 HB3 PHE 81 1HB PHE 81 12.985 -9.910 1.598 859 HD1 PHE 81 1HD PHE 81 12.401 -12.041 2.674 860 HD2 PHE 81 2HD PHE 81 10.093 -8.519 3.283 861 HE1 PHE 81 1HE PHE 81 10.536 -13.408 3.527 862 HE2 PHE 81 2HE PHE 81 8.232 -9.880 4.138 863 HZ PHE 81 HZ PHE 81 8.454 -12.325 4.263 864 H GLY 82 H GLY 82 13.334 -7.427 1.457 865 HA2 GLY 82 1HA GLY 82 14.874 -5.608 0.932 866 HA3 GLY 82 2HA GLY 82 16.177 -6.651 1.492 Start of MODEL 3 1 H SER 641 1H SER 641 -3.352 1.939 -25.160 2 HA SER 641 HA SER 641 -1.279 2.611 -25.197 3 HB2 SER 641 2HB SER 641 -0.532 2.368 -22.411 4 HB3 SER 641 1HB SER 641 -0.820 3.826 -23.363 5 HG SER 641 HG SER 641 -2.397 3.898 -21.876 6 H LEU 642 H LEU 642 -0.877 0.520 -26.268 7 HA LEU 642 HA LEU 642 0.152 -1.697 -24.824 8 HB2 LEU 642 2HB LEU 642 0.658 -2.652 -26.987 9 HB3 LEU 642 1HB LEU 642 -0.946 -1.947 -26.988 10 HG LEU 642 HG LEU 642 0.822 0.053 -27.929 11 HD11 LEU 642 1HD1 LEU 642 1.131 -2.147 -29.838 12 HD12 LEU 642 2HD1 LEU 642 2.268 -0.886 -29.359 13 HD13 LEU 642 3HD1 LEU 642 2.073 -2.322 -28.355 14 HD21 LEU 642 3HD2 LEU 642 -1.635 -0.572 -28.465 15 HD22 LEU 642 1HD2 LEU 642 -0.624 0.123 -29.735 16 HD23 LEU 642 2HD2 LEU 642 -0.925 -1.615 -29.696 17 H GLN 643 H GLN 643 2.266 -2.556 -24.846 18 HA GLN 643 HA GLN 643 4.368 -0.552 -25.358 19 HB2 GLN 643 2HB GLN 643 3.853 -1.448 -22.926 20 HB3 GLN 643 1HB GLN 643 4.793 -2.831 -23.469 21 HG2 GLN 643 2HG GLN 643 6.598 -1.172 -24.108 22 HG3 GLN 643 1HG GLN 643 5.678 0.023 -23.194 23 HE21 GLN 643 1HE2 GLN 643 5.060 -0.751 -20.944 24 HE22 GLN 643 2HE2 GLN 643 6.305 -1.549 -20.044 25 H ASN 644 H ASN 644 5.276 -1.066 -27.240 26 HA ASN 644 HA ASN 644 5.438 -3.786 -28.166 27 HB2 ASN 644 2HB ASN 644 5.098 -2.002 -29.785 28 HB3 ASN 644 1HB ASN 644 6.599 -1.224 -29.289 29 HD21 ASN 644 1HD2 ASN 644 8.154 -1.503 -30.707 30 HD22 ASN 644 2HD2 ASN 644 8.426 -2.923 -31.661 31 H ASN 645 H ASN 645 6.807 -5.094 -27.171 32 HA ASN 645 HA ASN 645 9.581 -4.162 -26.813 33 HB2 ASN 645 2HB ASN 645 7.834 -4.989 -24.792 34 HB3 ASN 645 1HB ASN 645 8.870 -6.384 -25.083 35 HD21 ASN 645 1HD2 ASN 645 10.216 -6.367 -23.406 36 HD22 ASN 645 2HD2 ASN 645 11.228 -5.030 -22.958 37 H GLN 646 H GLN 646 10.909 -5.190 -28.133 38 HA GLN 646 HA GLN 646 10.107 -7.851 -29.110 39 HB2 GLN 646 2HB GLN 646 10.909 -5.521 -30.473 40 HB3 GLN 646 1HB GLN 646 12.247 -6.654 -30.624 41 HG2 GLN 646 2HG GLN 646 9.669 -7.903 -31.088 42 HG3 GLN 646 1HG GLN 646 9.999 -6.574 -32.200 43 HE21 GLN 646 1HE2 GLN 646 9.779 -9.074 -33.186 44 HE22 GLN 646 2HE2 GLN 646 11.334 -9.663 -33.693 45 H ASP 647 H ASP 647 12.948 -7.971 -30.243 46 HA ASP 647 HA ASP 647 14.063 -9.437 -28.027 47 HB2 ASP 647 2HB ASP 647 14.183 -9.829 -30.673 48 HB3 ASP 647 1HB ASP 647 15.678 -8.920 -30.466 49 H VAL 648 H VAL 648 14.175 -7.504 -26.663 50 HA VAL 648 HA VAL 648 16.052 -5.433 -27.280 51 HB VAL 648 HB VAL 648 15.732 -5.162 -24.612 52 HG11 VAL 648 1HG1 VAL 648 14.114 -4.254 -26.946 53 HG12 VAL 648 2HG1 VAL 648 13.588 -3.832 -25.315 54 HG13 VAL 648 3HG1 VAL 648 15.180 -3.334 -25.884 55 HG21 VAL 648 3HG2 VAL 648 14.045 -6.304 -23.721 56 HG22 VAL 648 1HG2 VAL 648 12.972 -5.890 -25.058 57 HG23 VAL 648 2HG2 VAL 648 14.038 -7.292 -25.182 58 H SER 649 H SER 649 18.120 -6.110 -27.520 59 HA SER 649 HA SER 649 19.404 -7.987 -25.821 60 HB2 SER 649 2HB SER 649 21.250 -6.129 -27.034 61 HB3 SER 649 1HB SER 649 20.992 -7.834 -27.403 62 HG SER 649 HG SER 649 19.724 -7.318 -29.021 63 H PHE 650 H PHE 650 19.776 -7.639 -23.723 64 HA PHE 650 HA PHE 650 20.387 -4.880 -22.860 65 HB2 PHE 650 2HB PHE 650 18.395 -6.809 -21.902 66 HB3 PHE 650 1HB PHE 650 19.374 -6.109 -20.618 67 HD1 PHE 650 1HD PHE 650 17.915 -4.731 -23.771 68 HD2 PHE 650 2HD PHE 650 18.222 -4.460 -19.534 69 HE1 PHE 650 1HE PHE 650 16.519 -2.706 -23.802 70 HE2 PHE 650 2HE PHE 650 16.828 -2.434 -19.560 71 HZ PHE 650 HZ PHE 650 15.974 -1.555 -21.693 72 H GLU 651 H GLU 651 21.515 -8.016 -23.087 73 HA GLU 651 HA GLU 651 22.901 -8.374 -20.676 74 HB2 GLU 651 2HB GLU 651 24.452 -9.790 -22.296 75 HB3 GLU 651 1HB GLU 651 22.837 -10.328 -21.857 76 HG2 GLU 651 2HG GLU 651 23.086 -8.630 -24.268 77 HG3 GLU 651 1HG GLU 651 23.711 -10.276 -24.369 78 H ASN 652 H ASN 652 23.644 -6.424 -23.445 79 HA ASN 652 HA ASN 652 26.412 -6.059 -22.682 80 HB2 ASN 652 2HB ASN 652 25.583 -6.013 -25.074 81 HB3 ASN 652 1HB ASN 652 24.848 -4.456 -24.705 82 HD21 ASN 652 1HD2 ASN 652 26.022 -2.717 -25.063 83 HD22 ASN 652 2HD2 ASN 652 27.742 -2.688 -25.255 84 H ILE 653 H ILE 653 23.412 -4.696 -21.845 85 HA ILE 653 HA ILE 653 24.670 -2.183 -20.983 86 HB ILE 653 HB ILE 653 21.740 -2.463 -20.720 87 HG12 ILE 653 2HG1 ILE 653 22.951 -2.006 -23.451 88 HG13 ILE 653 1HG1 ILE 653 22.311 -3.564 -22.936 89 HG21 ILE 653 1HG2 ILE 653 23.748 -0.404 -20.975 90 HG22 ILE 653 2HG2 ILE 653 22.418 -0.148 -22.105 91 HG23 ILE 653 3HG2 ILE 653 22.092 -0.294 -20.379 92 HD11 ILE 653 3HD1 ILE 653 20.713 -2.305 -24.288 93 HD12 ILE 653 1HD1 ILE 653 20.111 -2.583 -22.654 94 HD13 ILE 653 2HD1 ILE 653 20.744 -0.999 -23.104 95 H GLN 654 H GLN 654 25.502 -4.058 -19.406 96 HA GLN 654 HA GLN 654 23.731 -4.432 -17.146 97 HB2 GLN 654 2HB GLN 654 26.603 -5.219 -17.650 98 HB3 GLN 654 1HB GLN 654 25.778 -5.524 -16.128 99 HG2 GLN 654 2HG GLN 654 24.674 -6.502 -18.734 100 HG3 GLN 654 1HG GLN 654 25.893 -7.411 -17.844 101 HE21 GLN 654 1HE2 GLN 654 24.050 -8.983 -17.954 102 HE22 GLN 654 2HE2 GLN 654 22.912 -8.955 -16.646 103 H TRP 655 H TRP 655 23.352 -2.287 -16.560 104 HA TRP 655 HA TRP 655 25.407 -0.404 -16.063 105 HB2 TRP 655 2HB TRP 655 23.149 0.301 -14.513 106 HB3 TRP 655 1HB TRP 655 23.638 0.960 -16.067 107 HD1 TRP 655 HD TRP 655 21.973 0.649 -17.987 108 HE1 TRP 655 1HE TRP 655 19.851 -0.756 -18.377 109 HE3 TRP 655 3HE TRP 655 22.103 -2.214 -13.747 110 HZ2 TRP 655 2HZ TRP 655 18.433 -2.809 -17.065 111 HZ3 TRP 655 3HZ TRP 655 20.324 -3.874 -13.392 112 HH2 TRP 655 HH TRP 655 18.526 -4.162 -15.019 113 H SER 656 H SER 656 26.779 -0.325 -14.418 114 HA SER 656 HA SER 656 26.418 -1.935 -12.070 115 HB2 SER 656 2HB SER 656 28.540 -0.155 -11.632 116 HB3 SER 656 1HB SER 656 28.661 -1.820 -12.204 117 HG SER 656 HG SER 656 29.345 0.351 -13.500 118 H ILE 657 H ILE 657 24.261 -0.538 -11.930 119 HA ILE 657 HA ILE 657 24.708 1.966 -10.496 120 HB ILE 657 HB ILE 657 22.161 2.072 -10.534 121 HG12 ILE 657 2HG1 ILE 657 22.199 0.194 -12.840 122 HG13 ILE 657 1HG1 ILE 657 22.246 -0.528 -11.235 123 HG21 ILE 657 1HG2 ILE 657 24.115 2.668 -12.487 124 HG22 ILE 657 2HG2 ILE 657 22.666 2.128 -13.334 125 HG23 ILE 657 3HG2 ILE 657 22.573 3.475 -12.199 126 HD11 ILE 657 3HD1 ILE 657 19.977 -0.065 -12.449 127 HD12 ILE 657 1HD1 ILE 657 20.136 0.176 -10.708 128 HD13 ILE 657 2HD1 ILE 657 20.208 1.559 -11.801 129 H ASP 658 H ASP 658 22.261 1.832 -8.986 130 HA ASP 658 HA ASP 658 23.254 0.210 -6.769 131 HB2 ASP 658 2HB ASP 658 22.661 2.714 -6.583 132 HB3 ASP 658 1HB ASP 658 20.983 2.183 -6.623 133 HA PRO 659 HA PRO 659 20.013 -2.696 -7.895 134 HB2 PRO 659 2HB PRO 659 21.135 -4.361 -5.775 135 HB3 PRO 659 1HB PRO 659 21.089 -4.653 -7.515 136 HG2 PRO 659 2HG PRO 659 23.389 -4.113 -6.199 137 HG3 PRO 659 1HG PRO 659 23.110 -3.615 -7.877 138 HD2 PRO 659 2HD PRO 659 22.898 -1.995 -5.362 139 HD3 PRO 659 1HD PRO 659 23.625 -1.557 -6.926 140 H GLY 660 H GLY 660 20.484 -0.998 -5.016 141 HA2 GLY 660 1HA GLY 660 18.047 -2.174 -3.831 142 HA3 GLY 660 2HA GLY 660 19.305 -1.355 -2.915 143 H ALA 661 H ALA 661 19.003 0.381 -5.662 144 HA ALA 661 HA ALA 661 17.590 2.496 -4.329 145 HB1 ALA 661 1HB ALA 661 17.878 3.322 -6.931 146 HB2 ALA 661 2HB ALA 661 19.048 3.581 -5.635 147 HB3 ALA 661 3HB ALA 661 19.228 2.207 -6.725 148 H ASP 662 H ASP 662 16.912 0.255 -6.959 149 HA ASP 662 HA ASP 662 14.296 1.474 -7.365 150 HB2 ASP 662 2HB ASP 662 15.707 0.790 -9.331 151 HB3 ASP 662 1HB ASP 662 15.486 -0.883 -8.832 152 H LEU 663 H LEU 663 12.673 0.835 -6.159 153 HA LEU 663 HA LEU 663 12.484 -2.020 -5.441 154 HB2 LEU 663 2HB LEU 663 12.205 0.365 -3.863 155 HB3 LEU 663 1HB LEU 663 10.673 -0.488 -3.888 156 HG LEU 663 HG LEU 663 12.104 -2.569 -3.248 157 HD11 LEU 663 1HD1 LEU 663 14.025 -0.354 -3.016 158 HD12 LEU 663 2HD1 LEU 663 13.949 -1.438 -1.628 159 HD13 LEU 663 3HD1 LEU 663 14.301 -2.081 -3.233 160 HD21 LEU 663 3HD2 LEU 663 10.577 -1.951 -1.660 161 HD22 LEU 663 1HD2 LEU 663 12.082 -1.634 -0.796 162 HD23 LEU 663 2HD2 LEU 663 11.197 -0.305 -1.543 163 H SER 664 H SER 664 11.636 -0.365 -7.843 164 HA SER 664 HA SER 664 8.799 -0.114 -7.726 165 HB2 SER 664 2HB SER 664 10.251 -0.176 -10.329 166 HB3 SER 664 1HB SER 664 8.979 0.914 -9.774 167 HG SER 664 HG SER 664 11.672 1.206 -9.653 168 H GLN 665 H GLN 665 10.947 -2.699 -8.555 169 HA GLN 665 HA GLN 665 8.982 -4.127 -10.131 170 HB2 GLN 665 2HB GLN 665 11.755 -4.699 -9.167 171 HB3 GLN 665 1HB GLN 665 10.742 -6.039 -9.686 172 HG2 GLN 665 2HG GLN 665 11.907 -3.808 -11.269 173 HG3 GLN 665 1HG GLN 665 11.848 -5.534 -11.623 174 HE21 GLN 665 1HE2 GLN 665 10.599 -2.564 -12.394 175 HE22 GLN 665 2HE2 GLN 665 9.169 -3.087 -13.222 176 H TYR 666 H TYR 666 9.760 -3.737 -6.838 177 HA TYR 666 HA TYR 666 8.423 -6.185 -6.000 178 HB2 TYR 666 2HB TYR 666 9.622 -3.927 -4.379 179 HB3 TYR 666 1HB TYR 666 8.961 -5.416 -3.710 180 HD1 TYR 666 1HD TYR 666 10.006 -7.590 -5.016 181 HD2 TYR 666 2HD TYR 666 11.912 -3.832 -4.429 182 HE1 TYR 666 1HE TYR 666 12.199 -8.677 -5.226 183 HE2 TYR 666 2HE TYR 666 14.111 -4.909 -4.643 184 HH TYR 666 HH TYR 666 15.216 -6.789 -4.973 185 H LYS 667 H LYS 667 7.527 -3.203 -7.009 186 HA LYS 667 HA LYS 667 5.459 -2.661 -5.077 187 HB2 LYS 667 2HB LYS 667 6.853 -0.979 -6.485 188 HB3 LYS 667 1HB LYS 667 5.693 -1.333 -7.752 189 HG2 LYS 667 2HG LYS 667 4.233 -0.782 -5.395 190 HG3 LYS 667 1HG LYS 667 5.460 0.472 -5.578 191 HD2 LYS 667 2HD LYS 667 4.008 -0.267 -8.037 192 HD3 LYS 667 1HD LYS 667 3.051 0.546 -6.796 193 HE2 LYS 667 2HE LYS 667 5.242 2.100 -6.784 194 HE3 LYS 667 1HE LYS 667 5.269 1.560 -8.462 195 HZ1 LYS 667 3HZ LYS 667 2.756 2.578 -7.327 196 HZ2 LYS 667 1HZ LYS 667 3.305 2.611 -8.932 197 HZ3 LYS 667 2HZ LYS 667 3.955 3.682 -7.786 198 H MET 668 H MET 668 3.237 -2.594 -5.554 199 HA MET 668 HA MET 668 2.395 -4.264 -7.830 200 HB2 MET 668 2HB MET 668 0.819 -5.323 -6.533 201 HB3 MET 668 1HB MET 668 2.037 -5.004 -5.306 202 HG2 MET 668 2HG MET 668 -0.028 -2.926 -5.707 203 HG3 MET 668 1HG MET 668 -0.550 -4.447 -4.983 204 HE1 MET 668 3HE MET 668 1.156 -4.869 -1.822 205 HE2 MET 668 1HE MET 668 1.036 -5.625 -3.408 206 HE3 MET 668 2HE MET 668 2.549 -4.878 -2.902 207 H ASP 669 H ASP 669 0.567 -3.549 -9.017 208 HA ASP 669 HA ASP 669 0.233 -0.696 -8.998 209 HB2 ASP 669 2HB ASP 669 0.207 -1.937 -11.132 210 HB3 ASP 669 1HB ASP 669 -1.263 -2.767 -10.622 211 H VAL 670 H VAL 670 -0.962 0.254 -7.544 212 HA VAL 670 HA VAL 670 -3.234 -1.101 -6.350 213 HB VAL 670 HB VAL 670 -2.433 1.749 -5.786 214 HG11 VAL 670 1HG1 VAL 670 -3.184 0.531 -3.447 215 HG12 VAL 670 2HG1 VAL 670 -4.227 1.516 -4.471 216 HG13 VAL 670 3HG1 VAL 670 -4.234 -0.238 -4.638 217 HG21 VAL 670 3HG2 VAL 670 -0.840 1.064 -4.184 218 HG22 VAL 670 1HG2 VAL 670 -1.313 -0.628 -4.322 219 HG23 VAL 670 2HG2 VAL 670 -0.458 0.159 -5.648 220 H THR 671 H THR 671 -4.819 -1.207 -7.887 221 HA THR 671 HA THR 671 -5.612 1.191 -9.311 222 HB THR 671 HB THR 671 -7.208 -1.346 -9.350 223 HG1 THR 671 1HG THR 671 -4.656 -0.928 -10.551 224 HG21 THR 671 3HG2 THR 671 -7.959 -0.612 -11.372 225 HG22 THR 671 1HG2 THR 671 -6.435 0.179 -11.778 226 HG23 THR 671 2HG2 THR 671 -7.559 0.950 -10.657 227 H VAL 672 H VAL 672 -6.612 2.641 -8.027 228 HA VAL 672 HA VAL 672 -8.500 1.753 -5.997 229 HB VAL 672 HB VAL 672 -7.924 4.632 -6.655 230 HG11 VAL 672 1HG1 VAL 672 -9.235 3.134 -4.519 231 HG12 VAL 672 2HG1 VAL 672 -8.093 4.348 -3.939 232 HG13 VAL 672 3HG1 VAL 672 -9.418 4.822 -5.003 233 HG21 VAL 672 3HG2 VAL 672 -5.945 4.677 -5.454 234 HG22 VAL 672 1HG2 VAL 672 -6.289 3.157 -4.629 235 HG23 VAL 672 2HG2 VAL 672 -5.807 3.148 -6.325 236 H ILE 673 H ILE 673 -10.553 1.460 -6.491 237 HA ILE 673 HA ILE 673 -11.589 2.635 -8.960 238 HB ILE 673 HB ILE 673 -12.696 0.409 -7.242 239 HG12 ILE 673 2HG1 ILE 673 -12.176 -0.580 -9.773 240 HG13 ILE 673 1HG1 ILE 673 -10.822 0.510 -9.486 241 HG21 ILE 673 1HG2 ILE 673 -14.573 0.341 -8.481 242 HG22 ILE 673 2HG2 ILE 673 -14.195 2.034 -8.809 243 HG23 ILE 673 3HG2 ILE 673 -13.733 0.786 -9.966 244 HD11 ILE 673 3HD1 ILE 673 -9.931 -1.319 -8.545 245 HD12 ILE 673 1HD1 ILE 673 -10.873 -0.801 -7.147 246 HD13 ILE 673 2HD1 ILE 673 -11.501 -2.053 -8.219 247 H ASP 674 H ASP 674 -12.996 4.256 -8.949 248 HA ASP 674 HA ASP 674 -13.978 5.393 -6.531 249 HB2 ASP 674 2HB ASP 674 -13.591 6.889 -8.353 250 HB3 ASP 674 1HB ASP 674 -14.573 5.923 -9.446 251 H THR 675 H THR 675 -15.314 4.124 -5.378 252 HA THR 675 HA THR 675 -17.309 2.481 -6.606 253 HB THR 675 HB THR 675 -17.653 2.942 -3.755 254 HG1 THR 675 1HG THR 675 -15.647 2.351 -3.089 255 HG21 THR 675 3HG2 THR 675 -16.866 0.498 -5.353 256 HG22 THR 675 1HG2 THR 675 -18.518 0.997 -4.990 257 HG23 THR 675 2HG2 THR 675 -17.437 0.512 -3.683 258 H LYS 676 H LYS 676 -18.213 4.483 -7.711 259 HA LYS 676 HA LYS 676 -20.034 6.091 -6.161 260 HB2 LYS 676 2HB LYS 676 -20.890 6.643 -8.558 261 HB3 LYS 676 1HB LYS 676 -19.298 7.207 -8.069 262 HG2 LYS 676 2HG LYS 676 -18.198 5.708 -9.425 263 HG3 LYS 676 1HG LYS 676 -19.554 4.582 -9.465 264 HD2 LYS 676 2HD LYS 676 -19.434 7.268 -10.834 265 HD3 LYS 676 1HD LYS 676 -19.273 5.693 -11.616 266 HE2 LYS 676 2HE LYS 676 -21.590 5.235 -10.493 267 HE3 LYS 676 1HE LYS 676 -21.687 6.995 -10.432 268 HZ1 LYS 676 3HZ LYS 676 -20.871 6.463 -12.978 269 HZ2 LYS 676 1HZ LYS 676 -22.450 6.854 -12.496 270 HZ3 LYS 676 2HZ LYS 676 -21.993 5.230 -12.661 271 H ASP 677 H ASP 677 -20.023 2.969 -7.380 272 HA ASP 677 HA ASP 677 -22.821 2.698 -7.907 273 HB2 ASP 677 2HB ASP 677 -20.773 1.215 -8.694 274 HB3 ASP 677 1HB ASP 677 -21.126 0.343 -7.203 275 H GLY 678 H GLY 678 -24.113 3.135 -6.288 276 HA2 GLY 678 1HA GLY 678 -25.088 1.921 -4.291 277 HA3 GLY 678 2HA GLY 678 -23.471 2.085 -3.613 278 H SER 679 H SER 679 -23.033 4.706 -4.759 279 HA SER 679 HA SER 679 -24.391 6.316 -2.805 280 HB2 SER 679 2HB SER 679 -22.939 7.819 -4.816 281 HB3 SER 679 1HB SER 679 -22.604 7.653 -3.091 282 HG SER 679 HG SER 679 -20.910 6.618 -3.854 283 H GLN 680 H GLN 680 -24.825 5.464 -6.108 284 HA GLN 680 HA GLN 680 -26.501 7.656 -6.840 285 HB2 GLN 680 2HB GLN 680 -27.288 5.525 -8.431 286 HB3 GLN 680 1HB GLN 680 -26.081 6.735 -8.837 287 HG2 GLN 680 2HG GLN 680 -24.526 5.060 -7.474 288 HG3 GLN 680 1HG GLN 680 -25.751 3.915 -8.021 289 HE21 GLN 680 1HE2 GLN 680 -24.160 2.886 -9.327 290 HE22 GLN 680 2HE2 GLN 680 -23.656 3.597 -10.826 291 H SER 681 H SER 681 -28.249 8.047 -5.654 292 HA SER 681 HA SER 681 -29.663 6.103 -4.178 293 HB2 SER 681 2HB SER 681 -31.268 8.431 -4.631 294 HB3 SER 681 1HB SER 681 -30.391 7.959 -3.173 295 HG SER 681 HG SER 681 -28.803 9.276 -3.672 296 H LYS 682 H LYS 682 -29.884 7.054 -7.454 297 HA LYS 682 HA LYS 682 -32.615 6.205 -7.822 298 HB2 LYS 682 2HB LYS 682 -31.219 7.932 -9.214 299 HB3 LYS 682 1HB LYS 682 -30.657 6.503 -10.068 300 HG2 LYS 682 2HG LYS 682 -32.625 6.178 -11.105 301 HG3 LYS 682 1HG LYS 682 -33.571 6.718 -9.715 302 HD2 LYS 682 2HD LYS 682 -32.469 9.049 -10.377 303 HD3 LYS 682 1HD LYS 682 -32.429 8.281 -11.966 304 HE2 LYS 682 2HE LYS 682 -34.476 9.443 -11.860 305 HE3 LYS 682 1HE LYS 682 -34.877 7.745 -11.619 306 HZ1 LYS 682 3HZ LYS 682 -35.384 8.077 -9.431 307 HZ2 LYS 682 1HZ LYS 682 -35.858 9.575 -10.069 308 HZ3 LYS 682 2HZ LYS 682 -34.370 9.426 -9.268 309 H LEU 683 H LEU 683 -29.507 4.756 -7.771 310 HA LEU 683 HA LEU 683 -30.274 2.445 -9.337 311 HB2 LEU 683 2HB LEU 683 -27.984 3.234 -9.458 312 HB3 LEU 683 1HB LEU 683 -27.804 3.075 -7.723 313 HG LEU 683 HG LEU 683 -28.560 0.530 -8.728 314 HD11 LEU 683 1HD1 LEU 683 -27.375 0.144 -10.585 315 HD12 LEU 683 2HD1 LEU 683 -27.385 1.897 -10.779 316 HD13 LEU 683 3HD1 LEU 683 -26.006 1.103 -10.023 317 HD21 LEU 683 3HD2 LEU 683 -25.746 0.912 -8.068 318 HD22 LEU 683 1HD2 LEU 683 -26.846 1.605 -6.875 319 HD23 LEU 683 2HD2 LEU 683 -26.966 -0.103 -7.295 320 H GLY 684 H GLY 684 -29.567 3.210 -5.947 321 HA2 GLY 684 1HA GLY 684 -30.500 0.529 -5.183 322 HA3 GLY 684 2HA GLY 684 -29.568 1.618 -4.167 323 H GLY 685 H GLY 685 -32.083 3.155 -5.841 324 HA2 GLY 685 1HA GLY 685 -33.827 2.956 -3.466 325 HA3 GLY 685 2HA GLY 685 -33.477 4.497 -4.237 326 H GLY 901 H GLY 901 -33.945 1.610 -6.127 327 HA2 GLY 901 1HA GLY 901 -36.145 2.873 -7.512 328 HA3 GLY 901 2HA GLY 901 -35.408 1.325 -7.905 329 H GLY 902 H GLY 902 -35.796 -0.379 -6.106 330 HA2 GLY 902 1HA GLY 902 -38.631 -0.177 -5.279 331 HA3 GLY 902 2HA GLY 902 -37.957 -1.642 -5.978 332 H SER 903 H SER 903 -36.135 0.331 -3.770 333 HA SER 903 HA SER 903 -35.723 -1.853 -1.989 334 HB2 SER 903 2HB SER 903 -34.930 0.592 -0.785 335 HB3 SER 903 1HB SER 903 -33.906 -0.608 -1.576 336 HG SER 903 HG SER 903 -33.584 1.234 -2.715 337 H GLY 904 H GLY 904 -37.211 1.357 -1.523 338 HA2 GLY 904 1HA GLY 904 -39.458 1.380 -0.482 339 HA3 GLY 904 2HA GLY 904 -38.852 0.154 0.623 340 H GLY 905 H GLY 905 -39.879 2.095 1.939 341 HA2 GLY 905 1HA GLY 905 -37.853 4.152 2.445 342 HA3 GLY 905 2HA GLY 905 -39.500 4.142 3.064 343 H HIS 906 H HIS 906 -36.556 2.142 3.242 344 HA HIS 906 HA HIS 906 -37.051 1.887 6.134 345 HB2 HIS 906 2HB HIS 906 -36.864 -0.210 4.117 346 HB3 HIS 906 1HB HIS 906 -35.701 -0.432 5.422 347 HD1 HIS 906 1HD HIS 906 -36.921 -0.245 7.947 348 HD2 HIS 906 2HD HIS 906 -39.273 -1.223 4.655 349 HE1 HIS 906 1HE HIS 906 -39.028 -1.307 8.864 350 H MET 907 H MET 907 -35.228 1.731 7.448 351 HA MET 907 HA MET 907 -32.742 2.662 6.194 352 HB2 MET 907 2HB MET 907 -34.036 3.696 8.326 353 HB3 MET 907 1HB MET 907 -32.981 2.554 9.147 354 HG2 MET 907 2HG MET 907 -31.152 3.778 8.770 355 HG3 MET 907 1HG MET 907 -31.640 4.188 7.126 356 HE1 MET 907 3HE MET 907 -32.566 7.619 7.196 357 HE2 MET 907 1HE MET 907 -30.903 7.085 7.432 358 HE3 MET 907 2HE MET 907 -31.987 6.158 6.397 359 H GLY 908 H GLY 908 -32.744 0.267 5.472 360 HA2 GLY 908 1HA GLY 908 -31.375 -1.311 7.561 361 HA3 GLY 908 2HA GLY 908 -32.506 -2.038 6.433 362 H SER 909 H SER 909 -29.296 -1.413 7.066 363 HA SER 909 HA SER 909 -28.384 -1.384 4.327 364 HB2 SER 909 2HB SER 909 -26.462 -2.100 6.456 365 HB3 SER 909 1HB SER 909 -26.344 -0.869 5.198 366 HG SER 909 HG SER 909 -27.757 -0.710 7.664 367 H GLY 910 H GLY 910 -28.208 -3.129 3.093 368 HA2 GLY 910 1HA GLY 910 -27.005 -5.485 3.495 369 HA3 GLY 910 2HA GLY 910 -28.556 -5.758 4.278 370 H GLY 911 H GLY 911 -28.376 -7.469 2.462 371 HA2 GLY 911 1HA GLY 911 -29.624 -8.228 0.645 372 HA3 GLY 911 2HA GLY 911 -30.131 -6.574 0.333 373 H LEU 18 H LEU 18 -27.538 -5.431 0.206 374 HA LEU 18 HA LEU 18 -26.779 -6.252 -2.464 375 HB2 LEU 18 2HB LEU 18 -26.237 -3.934 -0.701 376 HB3 LEU 18 1HB LEU 18 -25.021 -4.321 -1.899 377 HG LEU 18 HG LEU 18 -27.740 -3.199 -2.251 378 HD11 LEU 18 1HD1 LEU 18 -26.655 -1.869 -3.891 379 HD12 LEU 18 2HD1 LEU 18 -25.582 -1.949 -2.494 380 HD13 LEU 18 3HD1 LEU 18 -25.249 -2.935 -3.915 381 HD21 LEU 18 3HD2 LEU 18 -27.477 -5.565 -3.411 382 HD22 LEU 18 1HD2 LEU 18 -28.271 -4.214 -4.220 383 HD23 LEU 18 2HD2 LEU 18 -26.596 -4.607 -4.601 384 H SER 19 H SER 19 -24.771 -7.020 -3.065 385 HA SER 19 HA SER 19 -23.320 -8.364 -0.925 386 HB2 SER 19 2HB SER 19 -22.326 -9.073 -3.501 387 HB3 SER 19 1HB SER 19 -23.280 -10.057 -2.389 388 HG SER 19 HG SER 19 -24.129 -9.501 -4.639 389 H TRP 20 H TRP 20 -22.995 -5.759 -3.127 390 HA TRP 20 HA TRP 20 -21.315 -4.351 -3.713 391 HB2 TRP 20 2HB TRP 20 -19.955 -5.096 -1.128 392 HB3 TRP 20 1HB TRP 20 -19.938 -3.545 -1.963 393 HD1 TRP 20 HD TRP 20 -22.868 -2.787 -2.275 394 HE1 TRP 20 1HE TRP 20 -24.431 -2.443 -0.258 395 HE3 TRP 20 3HE TRP 20 -20.274 -5.446 1.236 396 HZ2 TRP 20 2HZ TRP 20 -24.558 -3.197 2.442 397 HZ3 TRP 20 3HZ TRP 20 -21.186 -5.583 3.521 398 HH2 TRP 20 HH TRP 20 -23.282 -4.477 4.111 399 H LYS 21 H LYS 21 -18.712 -5.600 -2.014 400 HA LYS 21 HA LYS 21 -17.948 -7.488 -4.099 401 HB2 LYS 21 2HB LYS 21 -16.957 -4.860 -4.056 402 HB3 LYS 21 1HB LYS 21 -15.671 -5.856 -3.388 403 HG2 LYS 21 2HG LYS 21 -15.159 -5.925 -5.615 404 HG3 LYS 21 1HG LYS 21 -16.163 -7.369 -5.464 405 HD2 LYS 21 2HD LYS 21 -17.969 -5.318 -5.968 406 HD3 LYS 21 1HD LYS 21 -16.598 -4.960 -7.022 407 HE2 LYS 21 2HE LYS 21 -17.447 -6.460 -8.438 408 HE3 LYS 21 1HE LYS 21 -16.957 -7.697 -7.282 409 HZ1 LYS 21 3HZ LYS 21 -19.274 -6.962 -6.228 410 HZ2 LYS 21 1HZ LYS 21 -19.140 -8.196 -7.383 411 HZ3 LYS 21 2HZ LYS 21 -19.608 -6.636 -7.857 412 H ARG 22 H ARG 22 -16.835 -9.185 -3.308 413 HA ARG 22 HA ARG 22 -16.542 -9.344 -0.440 414 HB2 ARG 22 2HB ARG 22 -17.230 -11.412 -0.972 415 HB3 ARG 22 1HB ARG 22 -16.821 -11.198 -2.665 416 HG2 ARG 22 2HG ARG 22 -15.365 -12.845 -2.260 417 HG3 ARG 22 1HG ARG 22 -14.362 -11.550 -1.600 418 HD2 ARG 22 2HD ARG 22 -15.913 -12.166 0.545 419 HD3 ARG 22 1HD ARG 22 -15.766 -13.742 -0.239 420 HE ARG 22 HE ARG 22 -13.610 -12.140 0.911 421 HH11 ARG 22 2HH1 ARG 22 -14.624 -15.039 -0.777 422 HH12 ARG 22 1HH1 ARG 22 -13.102 -15.855 -0.558 423 HH21 ARG 22 2HH2 ARG 22 -11.614 -13.189 1.188 424 HH22 ARG 22 1HH2 ARG 22 -11.370 -14.783 0.548 425 H CYS 23 H CYS 23 -14.681 -9.208 0.689 426 HA CYS 23 HA CYS 23 -12.300 -8.522 -0.869 427 HB2 CYS 23 2HB CYS 23 -11.537 -7.346 1.122 428 HB3 CYS 23 1HB CYS 23 -13.123 -6.786 0.615 429 H ALA 24 H ALA 24 -10.211 -9.151 -0.075 430 HA ALA 24 HA ALA 24 -10.249 -11.992 0.346 431 HB1 ALA 24 1HB ALA 24 -8.618 -10.277 -1.042 432 HB2 ALA 24 2HB ALA 24 -7.617 -10.758 0.325 433 HB3 ALA 24 3HB ALA 24 -8.304 -11.985 -0.737 434 H GLY 25 H GLY 25 -9.017 -9.202 2.185 435 HA2 GLY 25 1HA GLY 25 -7.488 -10.706 4.023 436 HA3 GLY 25 2HA GLY 25 -8.034 -9.053 4.249 437 H CYS 26 H CYS 26 -10.510 -8.947 4.752 438 HA CYS 26 HA CYS 26 -10.992 -10.309 7.166 439 HB2 CYS 26 2HB CYS 26 -13.244 -9.221 5.499 440 HB3 CYS 26 1HB CYS 26 -13.066 -9.224 7.249 441 H GLY 27 H GLY 27 -12.083 -10.875 3.868 442 HA2 GLY 27 1HA GLY 27 -12.691 -12.952 2.959 443 HA3 GLY 27 2HA GLY 27 -12.830 -13.602 4.588 444 H GLY 28 H GLY 28 -14.261 -10.553 3.849 445 HA2 GLY 28 1HA GLY 28 -16.918 -11.834 3.720 446 HA3 GLY 28 2HA GLY 28 -16.613 -10.444 4.756 447 H LYS 29 H LYS 29 -17.889 -8.929 3.818 448 HA LYS 29 HA LYS 29 -17.329 -8.321 0.991 449 HB2 LYS 29 2HB LYS 29 -19.803 -7.324 2.344 450 HB3 LYS 29 1HB LYS 29 -19.526 -7.674 0.644 451 HG2 LYS 29 2HG LYS 29 -19.497 -10.097 1.217 452 HG3 LYS 29 1HG LYS 29 -19.957 -9.657 2.863 453 HD2 LYS 29 2HD LYS 29 -21.549 -8.904 0.416 454 HD3 LYS 29 1HD LYS 29 -21.866 -10.341 1.392 455 HE2 LYS 29 2HE LYS 29 -21.657 -7.813 2.890 456 HE3 LYS 29 1HE LYS 29 -23.035 -7.929 1.792 457 HZ1 LYS 29 3HZ LYS 29 -23.612 -10.048 2.866 458 HZ2 LYS 29 1HZ LYS 29 -23.648 -8.741 3.947 459 HZ3 LYS 29 2HZ LYS 29 -22.347 -9.832 3.970 460 H ILE 30 H ILE 30 -16.770 -6.257 0.453 461 HA ILE 30 HA ILE 30 -15.650 -4.623 2.477 462 HB ILE 30 HB ILE 30 -16.265 -3.932 -0.406 463 HG12 ILE 30 2HG1 ILE 30 -13.536 -4.542 0.657 464 HG13 ILE 30 1HG1 ILE 30 -14.625 -5.875 0.286 465 HG21 ILE 30 1HG2 ILE 30 -14.073 -2.447 0.479 466 HG22 ILE 30 2HG2 ILE 30 -15.695 -1.848 0.128 467 HG23 ILE 30 3HG2 ILE 30 -15.266 -2.327 1.772 468 HD11 ILE 30 3HD1 ILE 30 -13.778 -3.730 -1.645 469 HD12 ILE 30 1HD1 ILE 30 -13.118 -5.366 -1.565 470 HD13 ILE 30 2HD1 ILE 30 -14.809 -5.116 -2.004 471 H ALA 31 H ALA 31 -16.907 -3.683 3.931 472 HA ALA 31 HA ALA 31 -19.345 -2.323 3.069 473 HB1 ALA 31 1HB ALA 31 -18.938 -3.925 5.218 474 HB2 ALA 31 2HB ALA 31 -18.690 -2.332 5.935 475 HB3 ALA 31 3HB ALA 31 -20.206 -2.703 5.116 476 H ASP 32 H ASP 32 -16.398 -1.511 2.845 477 HA ASP 32 HA ASP 32 -16.523 1.066 4.227 478 HB2 ASP 32 2HB ASP 32 -14.415 -0.575 3.964 479 HB3 ASP 32 1HB ASP 32 -14.209 0.369 2.489 480 H ARG 33 H ARG 33 -15.157 2.710 2.536 481 HA ARG 33 HA ARG 33 -17.215 3.135 0.525 482 HB2 ARG 33 2HB ARG 33 -16.297 4.940 2.106 483 HB3 ARG 33 1HB ARG 33 -14.893 4.971 1.048 484 HG2 ARG 33 2HG ARG 33 -16.535 5.379 -0.851 485 HG3 ARG 33 1HG ARG 33 -17.733 5.695 0.403 486 HD2 ARG 33 2HD ARG 33 -15.139 7.166 -0.046 487 HD3 ARG 33 1HD ARG 33 -16.768 7.780 -0.325 488 HE ARG 33 HE ARG 33 -15.455 7.386 2.260 489 HH11 ARG 33 2HH1 ARG 33 -18.284 8.427 0.445 490 HH12 ARG 33 1HH1 ARG 33 -19.005 9.238 1.813 491 HH21 ARG 33 2HH2 ARG 33 -16.419 8.444 4.039 492 HH22 ARG 33 1HH2 ARG 33 -17.943 9.247 3.840 493 H PHE 34 H PHE 34 -13.659 3.488 0.434 494 HA PHE 34 HA PHE 34 -13.828 2.939 -2.439 495 HB2 PHE 34 2HB PHE 34 -12.193 4.710 -0.777 496 HB3 PHE 34 1HB PHE 34 -11.262 3.815 -1.977 497 HD1 PHE 34 1HD PHE 34 -14.590 5.519 -1.892 498 HD2 PHE 34 2HD PHE 34 -10.868 4.994 -3.890 499 HE1 PHE 34 1HE PHE 34 -15.307 7.103 -3.632 500 HE2 PHE 34 2HE PHE 34 -11.576 6.581 -5.629 501 HZ PHE 34 HZ PHE 34 -13.798 7.632 -5.505 502 H LEU 35 H LEU 35 -13.095 1.122 -3.253 503 HA LEU 35 HA LEU 35 -11.390 -0.574 -1.579 504 HB2 LEU 35 2HB LEU 35 -12.059 -2.431 -2.957 505 HB3 LEU 35 1HB LEU 35 -13.480 -1.582 -2.386 506 HG LEU 35 HG LEU 35 -12.744 -0.532 -4.945 507 HD11 LEU 35 1HD1 LEU 35 -13.517 -3.303 -5.433 508 HD12 LEU 35 2HD1 LEU 35 -12.321 -2.297 -6.251 509 HD13 LEU 35 3HD1 LEU 35 -11.896 -3.135 -4.758 510 HD21 LEU 35 3HD2 LEU 35 -15.044 -1.566 -3.510 511 HD22 LEU 35 1HD2 LEU 35 -14.955 -0.310 -4.746 512 HD23 LEU 35 2HD2 LEU 35 -15.068 -2.006 -5.219 513 H LEU 36 H LEU 36 -9.532 -1.552 -2.442 514 HA LEU 36 HA LEU 36 -8.433 -0.206 -4.816 515 HB2 LEU 36 2HB LEU 36 -6.411 -0.955 -2.866 516 HB3 LEU 36 1HB LEU 36 -6.634 0.556 -3.726 517 HG LEU 36 HG LEU 36 -8.660 0.549 -1.812 518 HD11 LEU 36 1HD1 LEU 36 -6.658 -1.234 -0.948 519 HD12 LEU 36 2HD1 LEU 36 -6.469 0.245 -0.009 520 HD13 LEU 36 3HD1 LEU 36 -8.020 -0.594 -0.028 521 HD21 LEU 36 3HD2 LEU 36 -6.715 2.231 -2.702 522 HD22 LEU 36 1HD2 LEU 36 -7.792 2.563 -1.345 523 HD23 LEU 36 2HD2 LEU 36 -6.180 1.909 -1.053 524 H TYR 37 H TYR 37 -7.012 -1.390 -6.058 525 HA TYR 37 HA TYR 37 -7.219 -4.287 -5.804 526 HB2 TYR 37 2HB TYR 37 -6.939 -2.391 -7.946 527 HB3 TYR 37 1HB TYR 37 -5.622 -3.550 -8.024 528 HD1 TYR 37 2HD TYR 37 -6.774 -6.058 -7.264 529 HD2 TYR 37 1HD TYR 37 -8.500 -2.899 -9.522 530 HE1 TYR 37 2HE TYR 37 -8.255 -7.670 -8.372 531 HE2 TYR 37 1HE TYR 37 -9.987 -4.493 -10.639 532 HH TYR 37 HH TYR 37 -9.482 -7.660 -10.785 533 H ALA 38 H ALA 38 -5.562 -5.611 -5.338 534 HA ALA 38 HA ALA 38 -2.825 -4.684 -5.536 535 HB1 ALA 38 1HB ALA 38 -2.207 -5.121 -3.282 536 HB2 ALA 38 2HB ALA 38 -3.596 -4.035 -3.239 537 HB3 ALA 38 3HB ALA 38 -3.810 -5.754 -2.903 538 H MET 39 H MET 39 -1.781 -6.222 -6.509 539 HA MET 39 HA MET 39 -0.878 -8.240 -7.001 540 HB2 MET 39 2HB MET 39 -2.345 -8.960 -4.502 541 HB3 MET 39 1HB MET 39 -1.758 -10.257 -5.531 542 HG2 MET 39 2HG MET 39 0.068 -10.059 -4.235 543 HG3 MET 39 1HG MET 39 0.469 -8.781 -5.384 544 HE1 MET 39 3HE MET 39 0.818 -8.246 -1.143 545 HE2 MET 39 1HE MET 39 0.475 -9.769 -1.961 546 HE3 MET 39 2HE MET 39 1.858 -8.793 -2.456 547 H ASP 40 H ASP 40 -4.270 -8.867 -6.068 548 HA ASP 40 HA ASP 40 -5.021 -9.624 -8.717 549 HB2 ASP 40 2HB ASP 40 -3.706 -11.584 -8.261 550 HB3 ASP 40 1HB ASP 40 -4.448 -11.782 -6.679 551 H SER 41 H SER 41 -5.712 -9.043 -5.403 552 HA SER 41 HA SER 41 -8.511 -9.870 -5.771 553 HB2 SER 41 2HB SER 41 -7.706 -9.409 -3.014 554 HB3 SER 41 1HB SER 41 -8.433 -10.841 -3.748 555 HG SER 41 HG SER 41 -6.499 -11.681 -4.095 556 H TYR 42 H TYR 42 -10.061 -8.634 -4.333 557 HA TYR 42 HA TYR 42 -9.551 -5.760 -4.595 558 HB2 TYR 42 2HB TYR 42 -12.120 -7.091 -3.723 559 HB3 TYR 42 1HB TYR 42 -11.906 -5.439 -4.279 560 HD1 TYR 42 2HD TYR 42 -11.716 -4.946 -6.666 561 HD2 TYR 42 1HD TYR 42 -12.252 -8.932 -5.282 562 HE1 TYR 42 2HE TYR 42 -12.370 -5.642 -8.930 563 HE2 TYR 42 1HE TYR 42 -12.909 -9.637 -7.541 564 HH TYR 42 HH TYR 42 -13.256 -7.288 -10.170 565 H TRP 43 H TRP 43 -9.006 -4.569 -2.865 566 HA TRP 43 HA TRP 43 -9.749 -5.596 -0.205 567 HB2 TRP 43 2HB TRP 43 -7.241 -3.996 -0.451 568 HB3 TRP 43 1HB TRP 43 -7.688 -5.193 0.739 569 HD1 TRP 43 HD TRP 43 -6.765 -5.216 -3.048 570 HE1 TRP 43 1HE TRP 43 -5.304 -7.300 -3.462 571 HE3 TRP 43 3HE TRP 43 -6.822 -7.135 1.639 572 HZ2 TRP 43 2HZ TRP 43 -4.306 -9.480 -1.971 573 HZ3 TRP 43 3HZ TRP 43 -5.593 -9.231 2.093 574 HH2 TRP 43 HH TRP 43 -4.359 -10.374 0.317 575 H HIS 44 H HIS 44 -9.550 -3.848 1.478 576 HA HIS 44 HA HIS 44 -10.120 -1.165 0.436 577 HB2 HIS 44 2HB HIS 44 -11.725 -0.884 2.423 578 HB3 HIS 44 1HB HIS 44 -12.311 -1.866 1.085 579 HD1 HIS 44 1HD HIS 44 -12.528 -1.926 4.592 580 HD2 HIS 44 2HD HIS 44 -11.338 -4.735 1.766 581 HE1 HIS 44 1HE HIS 44 -12.650 -4.210 5.726 582 H SER 45 H SER 45 -10.249 0.193 2.822 583 HA SER 45 HA SER 45 -7.587 0.668 3.332 584 HB2 SER 45 2HB SER 45 -9.258 1.364 5.598 585 HB3 SER 45 1HB SER 45 -8.449 2.415 4.431 586 HG SER 45 HG SER 45 -10.781 2.551 4.404 587 H ARG 46 H ARG 46 -9.819 -1.321 5.292 588 HA ARG 46 HA ARG 46 -7.665 -1.860 7.166 589 HB2 ARG 46 2HB ARG 46 -9.240 -2.347 8.703 590 HB3 ARG 46 1HB ARG 46 -10.297 -1.488 7.595 591 HG2 ARG 46 2HG ARG 46 -11.575 -3.284 7.464 592 HG3 ARG 46 1HG ARG 46 -10.232 -4.177 6.750 593 HD2 ARG 46 2HD ARG 46 -9.424 -4.560 9.134 594 HD3 ARG 46 1HD ARG 46 -11.007 -3.978 9.650 595 HE ARG 46 HE ARG 46 -11.204 -6.056 7.695 596 HH11 ARG 46 2HH1 ARG 46 -10.700 -5.456 11.122 597 HH12 ARG 46 1HH1 ARG 46 -11.332 -7.010 11.597 598 HH21 ARG 46 2HH2 ARG 46 -11.997 -8.060 8.307 599 HH22 ARG 46 1HH2 ARG 46 -12.034 -8.511 9.989 600 H CYS 47 H CYS 47 -8.701 -3.254 4.310 601 HA CYS 47 HA CYS 47 -7.969 -5.966 5.097 602 HB2 CYS 47 2HB CYS 47 -9.598 -4.882 3.058 603 HB3 CYS 47 1HB CYS 47 -8.236 -5.651 2.252 604 H LEU 48 H LEU 48 -6.973 -3.616 2.638 605 HA LEU 48 HA LEU 48 -4.477 -4.935 2.166 606 HB2 LEU 48 2HB LEU 48 -5.786 -3.544 0.493 607 HB3 LEU 48 1HB LEU 48 -5.246 -2.129 1.376 608 HG LEU 48 HG LEU 48 -2.945 -2.587 0.826 609 HD11 LEU 48 1HD1 LEU 48 -2.736 -4.910 0.877 610 HD12 LEU 48 2HD1 LEU 48 -4.043 -5.144 -0.284 611 HD13 LEU 48 3HD1 LEU 48 -2.496 -4.490 -0.820 612 HD21 LEU 48 3HD2 LEU 48 -4.830 -2.727 -1.512 613 HD22 LEU 48 1HD2 LEU 48 -4.064 -1.298 -0.816 614 HD23 LEU 48 2HD2 LEU 48 -3.090 -2.487 -1.681 615 H LYS 49 H LYS 49 -3.383 -5.014 4.102 616 HA LYS 49 HA LYS 49 -2.091 -2.506 4.841 617 HB2 LYS 49 2HB LYS 49 -2.332 -3.628 7.316 618 HB3 LYS 49 1HB LYS 49 -3.361 -2.341 6.717 619 HG2 LYS 49 2HG LYS 49 -5.033 -3.710 7.297 620 HG3 LYS 49 1HG LYS 49 -4.656 -4.549 5.790 621 HD2 LYS 49 2HD LYS 49 -3.354 -6.174 6.907 622 HD3 LYS 49 1HD LYS 49 -3.320 -5.232 8.398 623 HE2 LYS 49 2HE LYS 49 -4.853 -7.096 8.618 624 HE3 LYS 49 1HE LYS 49 -5.737 -5.568 8.652 625 HZ1 LYS 49 3HZ LYS 49 -5.962 -7.749 6.822 626 HZ2 LYS 49 1HZ LYS 49 -5.680 -6.288 6.009 627 HZ3 LYS 49 2HZ LYS 49 -6.997 -6.426 7.061 628 H CYS 50 H CYS 50 -0.236 -2.907 6.274 629 HA CYS 50 HA CYS 50 1.445 -4.934 5.255 630 HB2 CYS 50 2HB CYS 50 2.332 -2.830 6.025 631 HB3 CYS 50 1HB CYS 50 1.649 -3.070 7.623 632 H SER 51 H SER 51 1.718 -6.979 5.912 633 HA SER 51 HA SER 51 0.029 -7.992 8.017 634 HB2 SER 51 2HB SER 51 2.033 -9.841 6.924 635 HB3 SER 51 1HB SER 51 0.279 -9.996 7.008 636 HG SER 51 HG SER 51 0.603 -8.163 5.252 637 H SER 52 H SER 52 2.860 -6.412 8.145 638 HA SER 52 HA SER 52 4.027 -8.128 10.212 639 HB2 SER 52 2HB SER 52 5.599 -5.790 9.527 640 HB3 SER 52 1HB SER 52 6.025 -7.499 9.434 641 HG SER 52 HG SER 52 4.657 -5.936 7.493 642 H CYS 53 H CYS 53 3.208 -4.663 9.691 643 HA CYS 53 HA CYS 53 3.239 -4.401 12.626 644 HB2 CYS 53 2HB CYS 53 3.706 -2.046 12.363 645 HB3 CYS 53 1HB CYS 53 4.885 -2.977 11.447 646 H GLN 54 H GLN 54 1.196 -4.602 10.022 647 HA GLN 54 HA GLN 54 -1.054 -4.559 9.878 648 HB2 GLN 54 2HB GLN 54 -0.631 -4.264 12.750 649 HB3 GLN 54 1HB GLN 54 -2.112 -3.498 12.189 650 HG2 GLN 54 2HG GLN 54 -1.642 -6.185 11.124 651 HG3 GLN 54 1HG GLN 54 -1.878 -6.103 12.869 652 HE21 GLN 54 1HE2 GLN 54 -3.311 -3.779 10.734 653 HE22 GLN 54 2HE2 GLN 54 -4.948 -4.325 10.905 654 H ALA 55 H ALA 55 0.839 -2.105 9.669 655 HA ALA 55 HA ALA 55 -0.787 0.180 9.979 656 HB1 ALA 55 1HB ALA 55 0.857 1.354 8.848 657 HB2 ALA 55 2HB ALA 55 1.765 -0.011 9.495 658 HB3 ALA 55 3HB ALA 55 1.260 -0.010 7.804 659 H GLN 56 H GLN 56 -2.554 0.749 8.905 660 HA GLN 56 HA GLN 56 -3.649 -0.775 6.817 661 HB2 GLN 56 2HB GLN 56 -4.386 2.098 7.296 662 HB3 GLN 56 1HB GLN 56 -5.412 0.764 6.795 663 HG2 GLN 56 2HG GLN 56 -4.120 0.824 9.497 664 HG3 GLN 56 1HG GLN 56 -5.660 1.620 9.184 665 HE21 GLN 56 1HE2 GLN 56 -4.025 -1.381 9.648 666 HE22 GLN 56 2HE2 GLN 56 -5.432 -2.393 9.637 667 H LEU 57 H LEU 57 -3.183 -0.825 4.722 668 HA LEU 57 HA LEU 57 -1.278 1.132 3.698 669 HB2 LEU 57 2HB LEU 57 -1.952 -1.671 3.148 670 HB3 LEU 57 1HB LEU 57 -1.633 -0.725 1.710 671 HG LEU 57 HG LEU 57 0.580 -0.466 2.201 672 HD11 LEU 57 1HD1 LEU 57 0.368 -1.158 5.088 673 HD12 LEU 57 2HD1 LEU 57 1.569 -0.171 4.254 674 HD13 LEU 57 3HD1 LEU 57 -0.049 0.468 4.544 675 HD21 LEU 57 3HD2 LEU 57 -0.428 -3.064 3.161 676 HD22 LEU 57 1HD2 LEU 57 0.706 -2.695 1.860 677 HD23 LEU 57 2HD2 LEU 57 1.248 -2.674 3.540 678 H GLY 58 H GLY 58 -4.389 1.280 3.953 679 HA2 GLY 58 1HA GLY 58 -5.099 1.894 1.213 680 HA3 GLY 58 2HA GLY 58 -6.137 2.053 2.624 681 H ASP 59 H ASP 59 -4.704 3.679 4.252 682 HA ASP 59 HA ASP 59 -4.849 6.200 2.762 683 HB2 ASP 59 2HB ASP 59 -6.026 5.429 5.133 684 HB3 ASP 59 1HB ASP 59 -4.641 6.364 5.683 685 H ILE 60 H ILE 60 -2.620 5.632 1.942 686 HA ILE 60 HA ILE 60 -0.608 6.529 3.894 687 HB ILE 60 HB ILE 60 0.875 5.070 2.104 688 HG12 ILE 60 2HG1 ILE 60 -0.711 2.839 2.635 689 HG13 ILE 60 1HG1 ILE 60 -1.851 4.053 2.069 690 HG21 ILE 60 1HG2 ILE 60 -0.213 4.484 4.825 691 HG22 ILE 60 2HG2 ILE 60 0.839 3.333 3.999 692 HG23 ILE 60 3HG2 ILE 60 1.416 4.962 4.347 693 HD11 ILE 60 3HD1 ILE 60 -0.943 4.126 -0.029 694 HD12 ILE 60 1HD1 ILE 60 0.646 3.593 0.521 695 HD13 ILE 60 2HD1 ILE 60 -0.678 2.434 0.397 696 H GLY 61 H GLY 61 0.377 5.741 0.733 697 HA2 GLY 61 1HA GLY 61 0.053 7.889 -0.855 698 HA3 GLY 61 2HA GLY 61 1.255 8.464 0.299 699 H THR 62 H THR 62 2.901 6.477 0.734 700 HA THR 62 HA THR 62 4.144 5.864 -1.806 701 HB THR 62 HB THR 62 5.213 4.508 0.564 702 HG1 THR 62 1HG THR 62 5.346 7.357 0.525 703 HG21 THR 62 3HG2 THR 62 6.768 4.579 -1.106 704 HG22 THR 62 1HG2 THR 62 7.188 6.087 -0.296 705 HG23 THR 62 2HG2 THR 62 6.173 6.115 -1.737 706 H SER 63 H SER 63 4.050 3.929 -2.850 707 HA SER 63 HA SER 63 1.905 2.202 -2.246 708 HB2 SER 63 2HB SER 63 4.039 1.256 -4.071 709 HB3 SER 63 1HB SER 63 2.292 1.320 -4.312 710 HG SER 63 HG SER 63 2.524 3.177 -5.251 711 H SER 64 H SER 64 1.914 -0.017 -1.757 712 HA SER 64 HA SER 64 3.878 -0.841 0.156 713 HB2 SER 64 2HB SER 64 2.246 -3.025 -0.452 714 HB3 SER 64 1HB SER 64 2.009 -1.876 0.864 715 HG SER 64 HG SER 64 0.743 -2.032 -1.628 716 H TYR 65 H TYR 65 4.977 -2.939 0.009 717 HA TYR 65 HA TYR 65 5.632 -3.680 -2.764 718 HB2 TYR 65 2HB TYR 65 7.607 -3.545 -0.470 719 HB3 TYR 65 1HB TYR 65 7.969 -3.952 -2.143 720 HD1 TYR 65 1HD TYR 65 7.525 -2.125 -3.911 721 HD2 TYR 65 2HD TYR 65 7.770 -1.331 0.263 722 HE1 TYR 65 1HE TYR 65 7.978 0.241 -4.392 723 HE2 TYR 65 2HE TYR 65 8.220 1.042 -0.208 724 HH TYR 65 HH TYR 65 8.280 2.274 -3.546 725 H THR 66 H THR 66 6.456 -5.886 -2.994 726 HA THR 66 HA THR 66 5.990 -7.644 -0.721 727 HB THR 66 HB THR 66 3.858 -7.452 -2.103 728 HG1 THR 66 1HG THR 66 4.039 -9.160 -0.717 729 HG21 THR 66 3HG2 THR 66 4.719 -7.480 -4.332 730 HG22 THR 66 1HG2 THR 66 3.794 -8.964 -4.097 731 HG23 THR 66 2HG2 THR 66 5.557 -9.006 -4.049 732 H LYS 67 H LYS 67 6.806 -9.803 -1.064 733 HA LYS 67 HA LYS 67 8.527 -10.409 -3.255 734 HB2 LYS 67 2HB LYS 67 9.771 -8.688 -1.738 735 HB3 LYS 67 1HB LYS 67 9.969 -10.054 -0.646 736 HG2 LYS 67 2HG LYS 67 10.842 -11.200 -2.886 737 HG3 LYS 67 1HG LYS 67 11.226 -9.518 -3.268 738 HD2 LYS 67 2HD LYS 67 12.265 -9.489 -0.882 739 HD3 LYS 67 1HD LYS 67 12.270 -11.246 -1.054 740 HE2 LYS 67 2HE LYS 67 14.318 -10.826 -1.934 741 HE3 LYS 67 1HE LYS 67 13.359 -10.606 -3.397 742 HZ1 LYS 67 3HZ LYS 67 14.436 -8.657 -3.482 743 HZ2 LYS 67 1HZ LYS 67 14.826 -8.653 -1.834 744 HZ3 LYS 67 2HZ LYS 67 13.292 -8.148 -2.343 745 H SER 68 H SER 68 7.753 -10.980 0.143 746 HA SER 68 HA SER 68 8.269 -13.827 -0.118 747 HB2 SER 68 2HB SER 68 7.183 -13.298 2.410 748 HB3 SER 68 1HB SER 68 8.894 -13.475 2.013 749 HG SER 68 HG SER 68 8.903 -11.486 2.780 750 H GLY 69 H GLY 69 5.940 -12.317 -1.411 751 HA2 GLY 69 1HA GLY 69 3.768 -12.830 -1.951 752 HA3 GLY 69 2HA GLY 69 3.953 -14.311 -1.021 753 H MET 70 H MET 70 4.596 -11.284 0.499 754 HA MET 70 HA MET 70 1.954 -11.291 1.784 755 HB2 MET 70 2HB MET 70 4.523 -10.705 3.263 756 HB3 MET 70 1HB MET 70 2.915 -10.885 3.944 757 HG2 MET 70 2HG MET 70 2.931 -13.256 3.377 758 HG3 MET 70 1HG MET 70 4.534 -13.077 2.670 759 HE1 MET 70 3HE MET 70 6.613 -12.021 5.874 760 HE2 MET 70 1HE MET 70 6.754 -12.464 4.174 761 HE3 MET 70 2HE MET 70 5.850 -11.021 4.638 762 H ILE 71 H ILE 71 1.176 -9.232 2.362 763 HA ILE 71 HA ILE 71 2.358 -7.046 0.874 764 HB ILE 71 HB ILE 71 0.201 -6.253 2.648 765 HG12 ILE 71 2HG1 ILE 71 -1.403 -7.632 0.957 766 HG13 ILE 71 1HG1 ILE 71 -0.088 -8.789 1.149 767 HG21 ILE 71 1HG2 ILE 71 1.188 -5.725 0.048 768 HG22 ILE 71 2HG2 ILE 71 -0.510 -6.178 -0.100 769 HG23 ILE 71 3HG2 ILE 71 -0.042 -4.846 0.956 770 HD11 ILE 71 3HD1 ILE 71 -0.432 -8.253 3.697 771 HD12 ILE 71 1HD1 ILE 71 -2.046 -7.792 3.140 772 HD13 ILE 71 2HD1 ILE 71 -1.445 -9.428 2.852 773 H LEU 72 H LEU 72 3.939 -5.896 1.703 774 HA LEU 72 HA LEU 72 3.993 -5.463 4.614 775 HB2 LEU 72 2HB LEU 72 6.059 -6.471 2.766 776 HB3 LEU 72 1HB LEU 72 6.604 -5.230 3.878 777 HG LEU 72 HG LEU 72 5.619 -6.664 5.739 778 HD11 LEU 72 1HD1 LEU 72 5.892 -8.945 3.833 779 HD12 LEU 72 2HD1 LEU 72 5.061 -8.873 5.388 780 HD13 LEU 72 3HD1 LEU 72 4.358 -8.086 3.974 781 HD21 LEU 72 3HD2 LEU 72 8.075 -6.978 4.208 782 HD22 LEU 72 1HD2 LEU 72 7.833 -6.870 5.952 783 HD23 LEU 72 2HD2 LEU 72 7.640 -8.418 5.126 784 H CYS 73 H CYS 73 4.575 -3.413 5.320 785 HA CYS 73 HA CYS 73 4.156 -1.305 3.444 786 HB2 CYS 73 2HB CYS 73 4.313 0.197 5.288 787 HB3 CYS 73 1HB CYS 73 3.457 -1.229 5.858 788 H ARG 74 H ARG 74 5.610 0.537 3.251 789 HA ARG 74 HA ARG 74 8.016 -0.026 2.074 790 HB2 ARG 74 2HB ARG 74 8.383 2.532 3.104 791 HB3 ARG 74 1HB ARG 74 7.673 2.121 1.551 792 HG2 ARG 74 2HG ARG 74 6.021 3.445 2.387 793 HG3 ARG 74 1HG ARG 74 5.479 1.885 3.009 794 HD2 ARG 74 2HD ARG 74 7.380 3.260 4.756 795 HD3 ARG 74 1HD ARG 74 5.879 4.148 4.505 796 HE ARG 74 HE ARG 74 5.523 1.360 5.185 797 HH11 ARG 74 2HH1 ARG 74 5.861 4.622 6.427 798 HH12 ARG 74 1HH1 ARG 74 5.052 4.262 7.932 799 HH21 ARG 74 2HH2 ARG 74 4.500 0.873 7.164 800 HH22 ARG 74 1HH2 ARG 74 4.279 2.128 8.358 801 H ASN 75 H ASN 75 7.450 0.861 5.461 802 HA ASN 75 HA ASN 75 10.232 1.056 6.071 803 HB2 ASN 75 2HB ASN 75 9.407 2.206 7.796 804 HB3 ASN 75 1HB ASN 75 7.778 1.742 7.333 805 HD21 ASN 75 1HD2 ASN 75 6.715 0.180 8.482 806 HD22 ASN 75 2HD2 ASN 75 7.323 -0.482 9.960 807 H ASP 76 H ASP 76 7.825 -1.469 6.240 808 HA ASP 76 HA ASP 76 9.401 -3.112 8.004 809 HB2 ASP 76 2HB ASP 76 6.708 -3.158 6.933 810 HB3 ASP 76 1HB ASP 76 7.460 -4.751 6.869 811 H TYR 77 H TYR 77 8.539 -3.209 4.555 812 HA TYR 77 HA TYR 77 9.705 -5.697 4.031 813 HB2 TYR 77 2HB TYR 77 8.240 -4.815 2.380 814 HB3 TYR 77 1HB TYR 77 9.196 -3.342 2.218 815 HD1 TYR 77 1HD TYR 77 9.988 -6.993 2.130 816 HD2 TYR 77 2HD TYR 77 10.244 -3.233 0.148 817 HE1 TYR 77 1HE TYR 77 11.293 -8.034 0.328 818 HE2 TYR 77 2HE TYR 77 11.547 -4.271 -1.662 819 HH TYR 77 HH TYR 77 13.078 -6.292 -1.882 820 H ILE 78 H ILE 78 11.102 -2.444 3.642 821 HA ILE 78 HA ILE 78 13.562 -3.331 2.586 822 HB ILE 78 HB ILE 78 13.036 -0.777 4.116 823 HG12 ILE 78 2HG1 ILE 78 12.935 -1.261 1.128 824 HG13 ILE 78 1HG1 ILE 78 11.513 -1.175 2.163 825 HG21 ILE 78 1HG2 ILE 78 15.452 -1.752 3.413 826 HG22 ILE 78 2HG2 ILE 78 15.031 -0.862 1.950 827 HG23 ILE 78 3HG2 ILE 78 15.078 -0.031 3.505 828 HD11 ILE 78 3HD1 ILE 78 11.865 0.921 1.018 829 HD12 ILE 78 1HD1 ILE 78 12.103 1.128 2.753 830 HD13 ILE 78 2HD1 ILE 78 13.498 1.033 1.678 831 H ARG 79 H ARG 79 12.424 -2.878 5.865 832 HA ARG 79 HA ARG 79 14.987 -3.141 7.099 833 HB2 ARG 79 2HB ARG 79 12.856 -2.054 8.044 834 HB3 ARG 79 1HB ARG 79 12.340 -3.691 8.426 835 HG2 ARG 79 2HG ARG 79 14.733 -3.773 9.559 836 HG3 ARG 79 1HG ARG 79 14.472 -2.029 9.638 837 HD2 ARG 79 2HD ARG 79 12.873 -4.239 10.893 838 HD3 ARG 79 1HD ARG 79 13.614 -2.835 11.661 839 HE ARG 79 HE ARG 79 11.875 -1.473 10.678 840 HH11 ARG 79 2HH1 ARG 79 11.349 -4.943 10.663 841 HH12 ARG 79 1HH1 ARG 79 9.633 -4.797 10.380 842 HH21 ARG 79 2HH2 ARG 79 9.624 -1.292 10.361 843 HH22 ARG 79 1HH2 ARG 79 8.660 -2.737 10.246 844 H LEU 80 H LEU 80 12.255 -5.324 6.540 845 HA LEU 80 HA LEU 80 13.471 -7.512 7.921 846 HB2 LEU 80 2HB LEU 80 11.024 -7.205 6.204 847 HB3 LEU 80 1HB LEU 80 11.571 -8.794 6.708 848 HG LEU 80 HG LEU 80 11.178 -6.695 8.793 849 HD11 LEU 80 1HD1 LEU 80 9.154 -6.605 7.406 850 HD12 LEU 80 2HD1 LEU 80 8.948 -8.343 7.619 851 HD13 LEU 80 3HD1 LEU 80 8.840 -7.267 9.011 852 HD21 LEU 80 3HD2 LEU 80 11.219 -9.667 8.611 853 HD22 LEU 80 1HD2 LEU 80 12.030 -8.593 9.752 854 HD23 LEU 80 2HD2 LEU 80 10.299 -8.894 9.901 855 H PHE 81 H PHE 81 12.883 -6.813 4.479 856 HA PHE 81 HA PHE 81 14.695 -9.046 3.826 857 HB2 PHE 81 2HB PHE 81 12.247 -8.004 2.413 858 HB3 PHE 81 1HB PHE 81 13.435 -9.005 1.589 859 HD1 PHE 81 1HD PHE 81 11.034 -8.936 4.395 860 HD2 PHE 81 2HD PHE 81 13.443 -11.337 1.838 861 HE1 PHE 81 1HE PHE 81 9.891 -10.950 5.218 862 HE2 PHE 81 2HE PHE 81 12.304 -13.360 2.659 863 HZ PHE 81 HZ PHE 81 10.526 -13.165 4.353 864 H GLY 82 H GLY 82 13.529 -6.933 1.376 865 HA2 GLY 82 1HA GLY 82 14.801 -4.906 0.694 866 HA3 GLY 82 2HA GLY 82 16.250 -5.833 1.075 Start of MODEL 4 1 H SER 641 1H SER 641 9.646 -18.155 -17.457 2 HA SER 641 HA SER 641 8.162 -16.481 -18.647 3 HB2 SER 641 2HB SER 641 9.408 -18.407 -20.557 4 HB3 SER 641 1HB SER 641 9.566 -16.652 -20.465 5 HG SER 641 HG SER 641 11.103 -18.593 -19.351 6 H LEU 642 H LEU 642 7.429 -16.979 -21.269 7 HA LEU 642 HA LEU 642 4.801 -18.171 -20.737 8 HB2 LEU 642 2HB LEU 642 5.776 -16.099 -22.673 9 HB3 LEU 642 1HB LEU 642 4.230 -16.890 -22.900 10 HG LEU 642 HG LEU 642 4.370 -15.933 -20.215 11 HD11 LEU 642 1HD1 LEU 642 4.310 -13.451 -21.517 12 HD12 LEU 642 2HD1 LEU 642 5.509 -14.034 -20.363 13 HD13 LEU 642 3HD1 LEU 642 5.765 -14.269 -22.091 14 HD21 LEU 642 3HD2 LEU 642 2.235 -16.010 -20.914 15 HD22 LEU 642 1HD2 LEU 642 2.551 -14.372 -21.481 16 HD23 LEU 642 2HD2 LEU 642 2.666 -15.730 -22.599 17 H GLN 643 H GLN 643 7.508 -18.380 -22.970 18 HA GLN 643 HA GLN 643 6.043 -19.982 -24.852 19 HB2 GLN 643 2HB GLN 643 8.033 -20.000 -26.198 20 HB3 GLN 643 1HB GLN 643 7.751 -18.377 -25.606 21 HG2 GLN 643 2HG GLN 643 9.936 -20.295 -24.932 22 HG3 GLN 643 1HG GLN 643 10.041 -18.615 -25.441 23 HE21 GLN 643 1HE2 GLN 643 10.497 -20.636 -22.951 24 HE22 GLN 643 2HE2 GLN 643 10.349 -19.540 -21.621 25 H ASN 644 H ASN 644 5.376 -21.660 -23.542 26 HA ASN 644 HA ASN 644 7.044 -23.346 -22.031 27 HB2 ASN 644 2HB ASN 644 4.396 -23.027 -22.211 28 HB3 ASN 644 1HB ASN 644 4.555 -24.445 -23.238 29 HD21 ASN 644 1HD2 ASN 644 3.094 -24.618 -21.022 30 HD22 ASN 644 2HD2 ASN 644 3.898 -25.571 -19.819 31 H ASN 645 H ASN 645 5.808 -23.636 -25.347 32 HA ASN 645 HA ASN 645 7.052 -26.219 -25.724 33 HB2 ASN 645 2HB ASN 645 4.868 -25.402 -26.796 34 HB3 ASN 645 1HB ASN 645 5.889 -24.477 -27.892 35 HD21 ASN 645 1HD2 ASN 645 5.483 -27.774 -26.643 36 HD22 ASN 645 2HD2 ASN 645 5.861 -28.564 -28.132 37 H GLN 646 H GLN 646 8.325 -23.252 -25.524 38 HA GLN 646 HA GLN 646 10.548 -23.933 -27.300 39 HB2 GLN 646 2HB GLN 646 8.782 -21.560 -27.503 40 HB3 GLN 646 1HB GLN 646 10.507 -21.268 -27.680 41 HG2 GLN 646 2HG GLN 646 9.586 -23.536 -29.238 42 HG3 GLN 646 1HG GLN 646 8.767 -22.031 -29.659 43 HE21 GLN 646 1HE2 GLN 646 9.842 -20.492 -30.762 44 HE22 GLN 646 2HE2 GLN 646 11.482 -20.640 -31.302 45 H ASP 647 H ASP 647 10.351 -24.221 -24.536 46 HA ASP 647 HA ASP 647 11.221 -22.046 -23.008 47 HB2 ASP 647 2HB ASP 647 10.393 -24.466 -22.333 48 HB3 ASP 647 1HB ASP 647 12.121 -24.807 -22.298 49 H VAL 648 H VAL 648 13.062 -20.974 -23.007 50 HA VAL 648 HA VAL 648 15.396 -22.184 -24.311 51 HB VAL 648 HB VAL 648 16.232 -19.755 -24.312 52 HG11 VAL 648 1HG1 VAL 648 14.534 -21.223 -26.058 53 HG12 VAL 648 2HG1 VAL 648 14.090 -19.517 -26.146 54 HG13 VAL 648 3HG1 VAL 648 15.754 -20.015 -26.458 55 HG21 VAL 648 3HG2 VAL 648 14.122 -18.203 -24.490 56 HG22 VAL 648 1HG2 VAL 648 13.405 -19.404 -23.415 57 HG23 VAL 648 2HG2 VAL 648 14.858 -18.537 -22.923 58 H SER 649 H SER 649 17.526 -21.628 -23.445 59 HA SER 649 HA SER 649 17.643 -22.272 -20.676 60 HB2 SER 649 2HB SER 649 20.143 -21.365 -21.876 61 HB3 SER 649 1HB SER 649 19.723 -22.943 -21.203 62 HG SER 649 HG SER 649 18.836 -23.538 -23.142 63 H PHE 650 H PHE 650 16.737 -20.587 -19.511 64 HA PHE 650 HA PHE 650 17.700 -17.889 -19.714 65 HB2 PHE 650 2HB PHE 650 15.711 -19.357 -18.111 66 HB3 PHE 650 1HB PHE 650 16.509 -18.046 -17.250 67 HD1 PHE 650 1HD PHE 650 15.066 -18.617 -20.644 68 HD2 PHE 650 2HD PHE 650 15.408 -16.046 -17.270 69 HE1 PHE 650 1HE PHE 650 13.573 -16.995 -21.734 70 HE2 PHE 650 2HE PHE 650 13.915 -14.420 -18.354 71 HZ PHE 650 HZ PHE 650 12.994 -14.892 -20.588 72 H GLU 651 H GLU 651 18.555 -20.765 -18.035 73 HA GLU 651 HA GLU 651 20.119 -19.670 -15.954 74 HB2 GLU 651 2HB GLU 651 21.320 -22.032 -16.309 75 HB3 GLU 651 1HB GLU 651 19.756 -21.874 -15.524 76 HG2 GLU 651 2HG GLU 651 19.882 -22.300 -18.474 77 HG3 GLU 651 1HG GLU 651 20.139 -23.660 -17.384 78 H ASN 652 H ASN 652 20.636 -19.898 -19.311 79 HA ASN 652 HA ASN 652 23.491 -19.784 -19.289 80 HB2 ASN 652 2HB ASN 652 21.949 -20.456 -21.244 81 HB3 ASN 652 1HB ASN 652 21.737 -18.727 -21.502 82 HD21 ASN 652 1HD2 ASN 652 22.965 -18.007 -23.073 83 HD22 ASN 652 2HD2 ASN 652 24.573 -18.543 -23.440 84 H ILE 653 H ILE 653 20.924 -17.525 -18.881 85 HA ILE 653 HA ILE 653 22.757 -15.247 -19.144 86 HB ILE 653 HB ILE 653 19.955 -14.618 -18.584 87 HG12 ILE 653 2HG1 ILE 653 20.422 -15.581 -21.373 88 HG13 ILE 653 1HG1 ILE 653 20.034 -16.769 -20.136 89 HG21 ILE 653 1HG2 ILE 653 20.569 -12.745 -19.600 90 HG22 ILE 653 2HG2 ILE 653 22.187 -13.432 -19.754 91 HG23 ILE 653 3HG2 ILE 653 21.020 -13.623 -21.062 92 HD11 ILE 653 3HD1 ILE 653 18.019 -15.306 -19.602 93 HD12 ILE 653 1HD1 ILE 653 18.363 -14.490 -21.127 94 HD13 ILE 653 2HD1 ILE 653 17.988 -16.213 -21.113 95 H GLN 654 H GLN 654 23.270 -16.738 -16.993 96 HA GLN 654 HA GLN 654 21.888 -15.502 -14.723 97 HB2 GLN 654 2HB GLN 654 23.369 -18.041 -15.131 98 HB3 GLN 654 1HB GLN 654 23.495 -17.299 -13.542 99 HG2 GLN 654 2HG GLN 654 21.058 -17.304 -13.367 100 HG3 GLN 654 1HG GLN 654 20.960 -18.062 -14.955 101 HE21 GLN 654 1HE2 GLN 654 22.577 -20.038 -15.046 102 HE22 GLN 654 2HE2 GLN 654 22.353 -21.174 -13.754 103 H TRP 655 H TRP 655 23.330 -13.673 -15.880 104 HA TRP 655 HA TRP 655 26.015 -13.606 -14.768 105 HB2 TRP 655 2HB TRP 655 26.215 -11.452 -16.001 106 HB3 TRP 655 1HB TRP 655 25.783 -12.804 -17.040 107 HD1 TRP 655 HD TRP 655 22.938 -12.953 -17.471 108 HE1 TRP 655 1HE TRP 655 21.371 -10.999 -18.070 109 HE3 TRP 655 3HE TRP 655 25.856 -9.071 -15.866 110 HZ2 TRP 655 2HZ TRP 655 21.388 -8.188 -17.894 111 HZ3 TRP 655 3HZ TRP 655 25.006 -6.779 -16.126 112 HH2 TRP 655 HH TRP 655 22.818 -6.349 -17.120 113 H SER 656 H SER 656 26.588 -11.256 -13.893 114 HA SER 656 HA SER 656 25.065 -11.032 -11.474 115 HB2 SER 656 2HB SER 656 27.018 -8.932 -11.849 116 HB3 SER 656 1HB SER 656 27.014 -10.256 -10.682 117 HG SER 656 HG SER 656 28.278 -11.407 -11.948 118 H ILE 657 H ILE 657 23.039 -10.349 -12.334 119 HA ILE 657 HA ILE 657 22.725 -7.855 -13.697 120 HB ILE 657 HB ILE 657 20.334 -8.125 -13.286 121 HG12 ILE 657 2HG1 ILE 657 20.549 -10.758 -11.992 122 HG13 ILE 657 1HG1 ILE 657 21.060 -9.417 -10.972 123 HG21 ILE 657 1HG2 ILE 657 20.542 -9.375 -15.114 124 HG22 ILE 657 2HG2 ILE 657 22.014 -10.142 -14.520 125 HG23 ILE 657 3HG2 ILE 657 20.437 -10.774 -14.043 126 HD11 ILE 657 3HD1 ILE 657 18.957 -8.457 -10.964 127 HD12 ILE 657 1HD1 ILE 657 18.458 -9.300 -12.430 128 HD13 ILE 657 2HD1 ILE 657 18.603 -10.184 -10.912 129 H ASP 658 H ASP 658 21.048 -6.259 -12.626 130 HA ASP 658 HA ASP 658 22.277 -4.879 -10.552 131 HB2 ASP 658 2HB ASP 658 19.972 -4.566 -12.156 132 HB3 ASP 658 1HB ASP 658 19.428 -4.444 -10.486 133 HA PRO 659 HA PRO 659 21.717 -7.792 -7.255 134 HB2 PRO 659 2HB PRO 659 22.178 -5.337 -5.621 135 HB3 PRO 659 1HB PRO 659 22.955 -6.923 -5.519 136 HG2 PRO 659 2HG PRO 659 24.227 -4.878 -6.639 137 HG3 PRO 659 1HG PRO 659 24.347 -6.503 -7.335 138 HD2 PRO 659 2HD PRO 659 22.772 -4.151 -8.272 139 HD3 PRO 659 1HD PRO 659 23.598 -5.407 -9.215 140 H GLY 660 H GLY 660 20.268 -4.581 -6.838 141 HA2 GLY 660 1HA GLY 660 17.645 -5.557 -6.533 142 HA3 GLY 660 2HA GLY 660 18.350 -5.274 -4.948 143 H ALA 661 H ALA 661 18.666 -3.505 -8.005 144 HA ALA 661 HA ALA 661 18.333 -1.019 -6.563 145 HB1 ALA 661 1HB ALA 661 19.232 0.041 -8.397 146 HB2 ALA 661 2HB ALA 661 19.988 -1.549 -8.511 147 HB3 ALA 661 3HB ALA 661 18.604 -1.152 -9.532 148 H ASP 662 H ASP 662 16.412 -3.143 -8.461 149 HA ASP 662 HA ASP 662 14.384 -1.068 -8.873 150 HB2 ASP 662 2HB ASP 662 15.049 -2.418 -10.854 151 HB3 ASP 662 1HB ASP 662 14.474 -3.863 -10.026 152 H LEU 663 H LEU 663 12.954 -0.899 -7.304 153 HA LEU 663 HA LEU 663 11.988 -3.365 -6.013 154 HB2 LEU 663 2HB LEU 663 12.725 -0.862 -4.951 155 HB3 LEU 663 1HB LEU 663 10.980 -0.945 -4.815 156 HG LEU 663 HG LEU 663 11.230 -3.125 -3.628 157 HD11 LEU 663 1HD1 LEU 663 13.833 -3.011 -4.588 158 HD12 LEU 663 2HD1 LEU 663 13.983 -2.709 -2.858 159 HD13 LEU 663 3HD1 LEU 663 13.180 -4.171 -3.430 160 HD21 LEU 663 3HD2 LEU 663 10.851 -1.548 -2.062 161 HD22 LEU 663 1HD2 LEU 663 12.520 -1.908 -1.620 162 HD23 LEU 663 2HD2 LEU 663 12.157 -0.510 -2.632 163 H SER 664 H SER 664 11.314 -1.478 -8.525 164 HA SER 664 HA SER 664 8.541 -0.948 -8.263 165 HB2 SER 664 2HB SER 664 9.498 -1.338 -10.996 166 HB3 SER 664 1HB SER 664 8.841 0.112 -10.232 167 HG SER 664 HG SER 664 11.453 -0.617 -10.673 168 H GLN 665 H GLN 665 10.428 -3.693 -9.288 169 HA GLN 665 HA GLN 665 8.299 -5.197 -10.420 170 HB2 GLN 665 2HB GLN 665 10.670 -5.706 -10.834 171 HB3 GLN 665 1HB GLN 665 10.875 -6.140 -9.144 172 HG2 GLN 665 2HG GLN 665 10.678 -8.117 -10.520 173 HG3 GLN 665 1HG GLN 665 9.304 -7.987 -9.421 174 HE21 GLN 665 1HE2 GLN 665 7.268 -7.528 -10.249 175 HE22 GLN 665 2HE2 GLN 665 6.906 -7.684 -11.935 176 H TYR 666 H TYR 666 9.294 -4.514 -7.192 177 HA TYR 666 HA TYR 666 7.594 -6.630 -6.082 178 HB2 TYR 666 2HB TYR 666 9.549 -4.762 -4.721 179 HB3 TYR 666 1HB TYR 666 8.639 -6.040 -3.925 180 HD1 TYR 666 2HD TYR 666 8.924 -8.407 -5.315 181 HD2 TYR 666 1HD TYR 666 11.765 -5.249 -5.060 182 HE1 TYR 666 2HE TYR 666 10.731 -10.003 -5.785 183 HE2 TYR 666 1HE TYR 666 13.583 -6.838 -5.531 184 HH TYR 666 HH TYR 666 13.775 -9.148 -6.714 185 H LYS 667 H LYS 667 7.246 -3.590 -7.153 186 HA LYS 667 HA LYS 667 5.958 -2.305 -4.949 187 HB2 LYS 667 2HB LYS 667 6.946 -1.515 -7.453 188 HB3 LYS 667 1HB LYS 667 5.214 -1.213 -7.511 189 HG2 LYS 667 2HG LYS 667 6.593 -0.308 -5.075 190 HG3 LYS 667 1HG LYS 667 7.003 0.545 -6.567 191 HD2 LYS 667 2HD LYS 667 4.227 0.278 -6.622 192 HD3 LYS 667 1HD LYS 667 4.609 0.696 -4.951 193 HE2 LYS 667 2HE LYS 667 5.699 2.690 -5.598 194 HE3 LYS 667 1HE LYS 667 5.735 2.207 -7.294 195 HZ1 LYS 667 3HZ LYS 667 3.269 2.812 -5.747 196 HZ2 LYS 667 1HZ LYS 667 3.349 2.429 -7.400 197 HZ3 LYS 667 2HZ LYS 667 4.023 3.875 -6.833 198 H MET 668 H MET 668 3.905 -2.348 -4.368 199 HA MET 668 HA MET 668 1.983 -3.745 -6.091 200 HB2 MET 668 2HB MET 668 2.434 -3.681 -3.256 201 HB3 MET 668 1HB MET 668 0.818 -3.073 -3.593 202 HG2 MET 668 2HG MET 668 0.512 -5.156 -5.025 203 HG3 MET 668 1HG MET 668 1.977 -5.758 -4.248 204 HE1 MET 668 3HE MET 668 0.978 -6.071 -0.535 205 HE2 MET 668 1HE MET 668 2.023 -6.767 -1.773 206 HE3 MET 668 2HE MET 668 2.062 -5.034 -1.459 207 H ASP 669 H ASP 669 1.656 -2.019 -7.536 208 HA ASP 669 HA ASP 669 0.990 0.595 -6.588 209 HB2 ASP 669 2HB ASP 669 1.831 -0.413 -9.012 210 HB3 ASP 669 1HB ASP 669 0.152 0.019 -9.326 211 H VAL 670 H VAL 670 -0.865 1.261 -5.857 212 HA VAL 670 HA VAL 670 -3.116 -0.549 -5.881 213 HB VAL 670 HB VAL 670 -3.202 2.154 -4.598 214 HG11 VAL 670 1HG1 VAL 670 -5.014 1.338 -3.611 215 HG12 VAL 670 2HG1 VAL 670 -4.869 -0.080 -4.652 216 HG13 VAL 670 3HG1 VAL 670 -4.134 -0.086 -3.049 217 HG21 VAL 670 3HG2 VAL 670 -2.193 0.065 -2.843 218 HG22 VAL 670 1HG2 VAL 670 -1.069 0.468 -4.140 219 HG23 VAL 670 2HG2 VAL 670 -1.648 1.728 -3.050 220 H THR 671 H THR 671 -4.734 -0.447 -7.244 221 HA THR 671 HA THR 671 -5.250 2.035 -8.718 222 HB THR 671 HB THR 671 -6.861 -0.399 -9.314 223 HG1 THR 671 1HG THR 671 -4.117 -0.439 -9.184 224 HG21 THR 671 3HG2 THR 671 -7.237 0.953 -11.063 225 HG22 THR 671 1HG2 THR 671 -5.609 0.544 -11.605 226 HG23 THR 671 2HG2 THR 671 -5.878 1.998 -10.641 227 H VAL 672 H VAL 672 -7.202 3.159 -8.486 228 HA VAL 672 HA VAL 672 -8.717 2.392 -6.106 229 HB VAL 672 HB VAL 672 -7.787 4.761 -6.480 230 HG11 VAL 672 1HG1 VAL 672 -10.251 4.962 -8.210 231 HG12 VAL 672 2HG1 VAL 672 -9.222 6.303 -7.707 232 HG13 VAL 672 3HG1 VAL 672 -8.583 5.053 -8.779 233 HG21 VAL 672 3HG2 VAL 672 -10.525 4.031 -5.547 234 HG22 VAL 672 1HG2 VAL 672 -9.125 4.580 -4.623 235 HG23 VAL 672 2HG2 VAL 672 -10.055 5.731 -5.584 236 H ILE 673 H ILE 673 -10.892 1.979 -6.095 237 HA ILE 673 HA ILE 673 -12.112 1.589 -8.741 238 HB ILE 673 HB ILE 673 -12.534 0.184 -6.113 239 HG12 ILE 673 2HG1 ILE 673 -12.460 -1.685 -8.111 240 HG13 ILE 673 1HG1 ILE 673 -11.390 -0.443 -8.751 241 HG21 ILE 673 1HG2 ILE 673 -14.729 0.870 -7.202 242 HG22 ILE 673 2HG2 ILE 673 -14.300 -0.239 -8.506 243 HG23 ILE 673 3HG2 ILE 673 -14.508 -0.849 -6.865 244 HD11 ILE 673 3HD1 ILE 673 -9.911 -0.638 -6.950 245 HD12 ILE 673 1HD1 ILE 673 -11.081 -1.528 -5.976 246 HD13 ILE 673 2HD1 ILE 673 -10.339 -2.295 -7.381 247 H ASP 674 H ASP 674 -13.689 2.878 -9.316 248 HA ASP 674 HA ASP 674 -14.774 4.803 -7.467 249 HB2 ASP 674 2HB ASP 674 -14.460 5.850 -9.483 250 HB3 ASP 674 1HB ASP 674 -14.780 4.391 -10.412 251 H THR 675 H THR 675 -16.526 4.493 -6.300 252 HA THR 675 HA THR 675 -18.527 2.529 -7.183 253 HB THR 675 HB THR 675 -18.776 3.598 -4.453 254 HG1 THR 675 1HG THR 675 -16.960 2.197 -3.765 255 HG21 THR 675 3HG2 THR 675 -20.030 1.742 -4.482 256 HG22 THR 675 1HG2 THR 675 -18.517 0.842 -4.371 257 HG23 THR 675 2HG2 THR 675 -19.249 1.145 -5.947 258 H LYS 676 H LYS 676 -20.355 3.322 -8.007 259 HA LYS 676 HA LYS 676 -20.910 6.172 -7.616 260 HB2 LYS 676 2HB LYS 676 -20.716 4.877 -9.913 261 HB3 LYS 676 1HB LYS 676 -22.405 4.514 -9.590 262 HG2 LYS 676 2HG LYS 676 -22.598 6.428 -10.819 263 HG3 LYS 676 1HG LYS 676 -22.571 7.089 -9.182 264 HD2 LYS 676 2HD LYS 676 -20.973 8.429 -10.051 265 HD3 LYS 676 1HD LYS 676 -19.936 7.043 -9.703 266 HE2 LYS 676 2HE LYS 676 -19.620 6.580 -11.875 267 HE3 LYS 676 1HE LYS 676 -21.307 6.897 -12.282 268 HZ1 LYS 676 3HZ LYS 676 -20.158 8.550 -13.385 269 HZ2 LYS 676 1HZ LYS 676 -19.059 8.800 -12.121 270 HZ3 LYS 676 2HZ LYS 676 -20.657 9.343 -11.969 271 H ASP 677 H ASP 677 -22.399 2.997 -7.221 272 HA ASP 677 HA ASP 677 -24.952 4.140 -6.604 273 HB2 ASP 677 2HB ASP 677 -25.748 1.917 -6.354 274 HB3 ASP 677 1HB ASP 677 -24.626 1.883 -7.708 275 H GLY 678 H GLY 678 -25.835 2.742 -4.486 276 HA2 GLY 678 1HA GLY 678 -25.843 2.749 -2.170 277 HA3 GLY 678 2HA GLY 678 -24.137 3.183 -2.211 278 H SER 679 H SER 679 -23.647 5.467 -2.831 279 HA SER 679 HA SER 679 -25.269 7.192 -1.192 280 HB2 SER 679 2HB SER 679 -23.341 8.776 -2.409 281 HB3 SER 679 1HB SER 679 -23.207 7.992 -0.837 282 HG SER 679 HG SER 679 -21.458 7.321 -1.988 283 H GLN 680 H GLN 680 -24.363 7.079 -4.641 284 HA GLN 680 HA GLN 680 -26.054 9.374 -5.194 285 HB2 GLN 680 2HB GLN 680 -23.831 8.072 -6.494 286 HB3 GLN 680 1HB GLN 680 -25.162 8.280 -7.624 287 HG2 GLN 680 2HG GLN 680 -25.181 10.621 -7.321 288 HG3 GLN 680 1HG GLN 680 -24.104 10.520 -5.928 289 HE21 GLN 680 1HE2 GLN 680 -21.993 9.260 -6.535 290 HE22 GLN 680 2HE2 GLN 680 -21.215 9.838 -7.970 291 H SER 681 H SER 681 -27.630 7.469 -4.207 292 HA SER 681 HA SER 681 -28.815 5.886 -6.319 293 HB2 SER 681 2HB SER 681 -30.545 5.819 -4.159 294 HB3 SER 681 1HB SER 681 -29.229 4.679 -4.448 295 HG SER 681 HG SER 681 -28.158 5.527 -2.831 296 H LYS 682 H LYS 682 -29.086 9.028 -5.108 297 HA LYS 682 HA LYS 682 -31.868 9.466 -5.649 298 HB2 LYS 682 2HB LYS 682 -30.618 10.746 -3.940 299 HB3 LYS 682 1HB LYS 682 -29.616 11.439 -5.206 300 HG2 LYS 682 2HG LYS 682 -31.211 13.071 -4.628 301 HG3 LYS 682 1HG LYS 682 -31.714 12.412 -6.186 302 HD2 LYS 682 2HD LYS 682 -33.165 10.812 -4.753 303 HD3 LYS 682 1HD LYS 682 -32.914 12.001 -3.473 304 HE2 LYS 682 2HE LYS 682 -33.591 13.518 -5.695 305 HE3 LYS 682 1HE LYS 682 -34.652 12.112 -5.788 306 HZ1 LYS 682 3HZ LYS 682 -35.364 12.540 -3.520 307 HZ2 LYS 682 1HZ LYS 682 -35.652 13.890 -4.504 308 HZ3 LYS 682 2HZ LYS 682 -34.341 13.892 -3.429 309 H LEU 683 H LEU 683 -29.022 9.379 -7.524 310 HA LEU 683 HA LEU 683 -29.995 11.214 -9.554 311 HB2 LEU 683 2HB LEU 683 -27.472 9.626 -9.209 312 HB3 LEU 683 1HB LEU 683 -27.854 10.390 -10.739 313 HG LEU 683 HG LEU 683 -26.963 11.603 -8.190 314 HD11 LEU 683 1HD1 LEU 683 -26.406 11.760 -11.073 315 HD12 LEU 683 2HD1 LEU 683 -26.251 13.269 -10.175 316 HD13 LEU 683 3HD1 LEU 683 -25.310 11.857 -9.692 317 HD21 LEU 683 3HD2 LEU 683 -28.022 13.691 -8.514 318 HD22 LEU 683 1HD2 LEU 683 -28.693 13.192 -10.068 319 HD23 LEU 683 2HD2 LEU 683 -29.302 12.480 -8.574 320 H GLY 684 H GLY 684 -31.814 10.243 -10.398 321 HA2 GLY 684 1HA GLY 684 -32.269 9.082 -12.537 322 HA3 GLY 684 2HA GLY 684 -31.307 7.753 -11.906 323 H GLY 685 H GLY 685 -32.682 6.108 -11.659 324 HA2 GLY 685 1HA GLY 685 -34.336 5.799 -9.533 325 HA3 GLY 685 2HA GLY 685 -35.385 6.538 -10.735 326 H GLY 901 H GLY 901 -35.721 5.423 -12.746 327 HA2 GLY 901 1HA GLY 901 -35.933 3.538 -14.077 328 HA3 GLY 901 2HA GLY 901 -34.848 2.684 -12.987 329 H GLY 902 H GLY 902 -37.907 4.335 -12.309 330 HA2 GLY 902 1HA GLY 902 -39.875 3.581 -11.415 331 HA3 GLY 902 2HA GLY 902 -39.527 2.036 -12.176 332 H SER 903 H SER 903 -38.775 0.372 -10.967 333 HA SER 903 HA SER 903 -38.979 0.654 -8.094 334 HB2 SER 903 2HB SER 903 -38.153 -1.929 -9.283 335 HB3 SER 903 1HB SER 903 -39.413 -1.586 -8.094 336 HG SER 903 HG SER 903 -40.724 -0.811 -9.785 337 H GLY 904 H GLY 904 -36.548 0.729 -10.454 338 HA2 GLY 904 1HA GLY 904 -34.423 1.551 -9.187 339 HA3 GLY 904 2HA GLY 904 -34.452 -0.100 -8.579 340 H GLY 905 H GLY 905 -33.596 1.959 -11.171 341 HA2 GLY 905 1HA GLY 905 -33.285 0.072 -13.250 342 HA3 GLY 905 2HA GLY 905 -32.395 1.583 -13.101 343 H HIS 906 H HIS 906 -30.941 1.285 -10.880 344 HA HIS 906 HA HIS 906 -29.456 -1.225 -11.244 345 HB2 HIS 906 2HB HIS 906 -28.446 1.250 -11.778 346 HB3 HIS 906 1HB HIS 906 -27.994 1.065 -10.086 347 HD1 HIS 906 1HD HIS 906 -25.486 1.055 -11.198 348 HD2 HIS 906 2HD HIS 906 -27.889 -2.271 -11.869 349 HE1 HIS 906 1HE HIS 906 -23.941 -0.803 -11.950 350 H MET 907 H MET 907 -29.286 -2.456 -9.477 351 HA MET 907 HA MET 907 -30.655 -1.703 -7.097 352 HB2 MET 907 2HB MET 907 -28.778 -4.039 -7.269 353 HB3 MET 907 1HB MET 907 -30.261 -3.883 -6.338 354 HG2 MET 907 2HG MET 907 -31.108 -5.175 -7.955 355 HG3 MET 907 1HG MET 907 -31.238 -3.655 -8.837 356 HE1 MET 907 3HE MET 907 -27.747 -6.157 -8.494 357 HE2 MET 907 1HE MET 907 -29.350 -6.644 -7.943 358 HE3 MET 907 2HE MET 907 -28.716 -7.262 -9.469 359 H GLY 908 H GLY 908 -29.851 -0.314 -5.687 360 HA2 GLY 908 1HA GLY 908 -27.086 0.257 -5.396 361 HA3 GLY 908 2HA GLY 908 -28.368 0.769 -4.303 362 H SER 909 H SER 909 -25.585 -0.494 -4.000 363 HA SER 909 HA SER 909 -26.059 -3.072 -2.850 364 HB2 SER 909 2HB SER 909 -23.593 -1.433 -2.357 365 HB3 SER 909 1HB SER 909 -23.746 -3.180 -2.538 366 HG SER 909 HG SER 909 -24.025 -1.204 -4.572 367 H GLY 910 H GLY 910 -27.850 -1.848 -1.478 368 HA2 GLY 910 1HA GLY 910 -26.854 -0.626 0.952 369 HA3 GLY 910 2HA GLY 910 -28.531 -0.986 0.572 370 H GLY 911 H GLY 911 -25.860 -1.876 2.397 371 HA2 GLY 911 1HA GLY 911 -25.462 -3.581 3.883 372 HA3 GLY 911 2HA GLY 911 -27.195 -3.866 3.849 373 H LEU 18 H LEU 18 -25.129 -4.128 1.029 374 HA LEU 18 HA LEU 18 -25.998 -6.906 0.780 375 HB2 LEU 18 2HB LEU 18 -25.375 -4.731 -1.077 376 HB3 LEU 18 1HB LEU 18 -24.696 -6.273 -1.562 377 HG LEU 18 HG LEU 18 -26.683 -6.605 -2.562 378 HD11 LEU 18 1HD1 LEU 18 -28.520 -7.405 -0.998 379 HD12 LEU 18 2HD1 LEU 18 -26.973 -8.246 -0.904 380 HD13 LEU 18 3HD1 LEU 18 -27.402 -7.050 0.320 381 HD21 LEU 18 3HD2 LEU 18 -27.334 -4.295 -2.363 382 HD22 LEU 18 1HD2 LEU 18 -28.725 -5.323 -2.011 383 HD23 LEU 18 2HD2 LEU 18 -27.845 -4.547 -0.692 384 H SER 19 H SER 19 -23.969 -7.694 -1.067 385 HA SER 19 HA SER 19 -21.875 -8.357 0.818 386 HB2 SER 19 2HB SER 19 -21.398 -9.464 -1.763 387 HB3 SER 19 1HB SER 19 -21.941 -10.295 -0.304 388 HG SER 19 HG SER 19 -23.478 -10.582 -1.921 389 H TRP 20 H TRP 20 -22.415 -6.274 -1.857 390 HA TRP 20 HA TRP 20 -21.135 -4.765 -2.974 391 HB2 TRP 20 2HB TRP 20 -19.191 -4.907 -0.675 392 HB3 TRP 20 1HB TRP 20 -19.558 -3.529 -1.709 393 HD1 TRP 20 HD TRP 20 -22.546 -3.151 -1.508 394 HE1 TRP 20 1HE TRP 20 -23.741 -2.626 0.701 395 HE3 TRP 20 3HE TRP 20 -19.027 -4.908 1.738 396 HZ2 TRP 20 2HZ TRP 20 -23.277 -2.935 3.453 397 HZ3 TRP 20 3HZ TRP 20 -19.479 -4.756 4.152 398 HH2 TRP 20 HH TRP 20 -21.558 -3.785 4.992 399 H LYS 21 H LYS 21 -18.101 -5.396 -1.716 400 HA LYS 21 HA LYS 21 -17.463 -7.232 -3.914 401 HB2 LYS 21 2HB LYS 21 -16.423 -4.612 -3.425 402 HB3 LYS 21 1HB LYS 21 -15.130 -5.783 -3.195 403 HG2 LYS 21 2HG LYS 21 -14.950 -5.276 -5.433 404 HG3 LYS 21 1HG LYS 21 -15.929 -6.744 -5.462 405 HD2 LYS 21 2HD LYS 21 -17.897 -4.968 -5.305 406 HD3 LYS 21 1HD LYS 21 -16.682 -3.939 -6.064 407 HE2 LYS 21 2HE LYS 21 -16.379 -5.930 -7.695 408 HE3 LYS 21 1HE LYS 21 -17.956 -6.442 -7.095 409 HZ1 LYS 21 3HZ LYS 21 -17.376 -3.786 -8.291 410 HZ2 LYS 21 1HZ LYS 21 -18.897 -4.355 -7.791 411 HZ3 LYS 21 2HZ LYS 21 -18.110 -5.079 -9.109 412 H ARG 22 H ARG 22 -16.695 -9.100 -3.257 413 HA ARG 22 HA ARG 22 -16.185 -9.697 -0.551 414 HB2 ARG 22 2HB ARG 22 -16.696 -11.188 -2.753 415 HB3 ARG 22 1HB ARG 22 -14.965 -11.447 -2.604 416 HG2 ARG 22 2HG ARG 22 -16.658 -11.783 -0.182 417 HG3 ARG 22 1HG ARG 22 -16.690 -13.036 -1.425 418 HD2 ARG 22 2HD ARG 22 -14.048 -12.023 -0.514 419 HD3 ARG 22 1HD ARG 22 -14.946 -13.086 0.568 420 HE ARG 22 HE ARG 22 -15.007 -14.385 -1.825 421 HH11 ARG 22 2HH1 ARG 22 -12.397 -13.064 0.116 422 HH12 ARG 22 1HH1 ARG 22 -11.255 -14.288 -0.373 423 HH21 ARG 22 2HH2 ARG 22 -13.510 -15.963 -2.478 424 HH22 ARG 22 1HH2 ARG 22 -11.888 -15.934 -1.840 425 H CYS 23 H CYS 23 -14.394 -9.534 0.644 426 HA CYS 23 HA CYS 23 -12.038 -8.440 -0.664 427 HB2 CYS 23 2HB CYS 23 -11.487 -7.454 1.349 428 HB3 CYS 23 1HB CYS 23 -13.242 -7.445 1.404 429 H ALA 24 H ALA 24 -9.892 -9.196 -0.028 430 HA ALA 24 HA ALA 24 -9.939 -12.083 -0.341 431 HB1 ALA 24 1HB ALA 24 -8.695 -10.598 -1.896 432 HB2 ALA 24 2HB ALA 24 -7.572 -10.244 -0.581 433 HB3 ALA 24 3HB ALA 24 -7.727 -11.892 -1.192 434 H GLY 25 H GLY 25 -8.456 -9.717 1.861 435 HA2 GLY 25 1HA GLY 25 -6.777 -11.597 3.177 436 HA3 GLY 25 2HA GLY 25 -7.191 -9.991 3.758 437 H CYS 26 H CYS 26 -9.436 -9.798 4.721 438 HA CYS 26 HA CYS 26 -9.860 -11.682 6.751 439 HB2 CYS 26 2HB CYS 26 -12.200 -10.089 5.866 440 HB3 CYS 26 1HB CYS 26 -11.533 -10.305 7.477 441 H GLY 27 H GLY 27 -11.495 -11.182 3.654 442 HA2 GLY 27 1HA GLY 27 -12.356 -12.939 2.312 443 HA3 GLY 27 2HA GLY 27 -12.422 -13.963 3.746 444 H GLY 28 H GLY 28 -13.570 -10.657 3.491 445 HA2 GLY 28 1HA GLY 28 -16.315 -11.682 3.859 446 HA3 GLY 28 2HA GLY 28 -15.688 -10.323 4.782 447 H LYS 29 H LYS 29 -16.239 -8.403 4.066 448 HA LYS 29 HA LYS 29 -16.564 -7.971 1.198 449 HB2 LYS 29 2HB LYS 29 -18.660 -6.512 2.289 450 HB3 LYS 29 1HB LYS 29 -18.798 -7.986 1.343 451 HG2 LYS 29 2HG LYS 29 -18.635 -9.265 3.494 452 HG3 LYS 29 1HG LYS 29 -18.759 -7.722 4.338 453 HD2 LYS 29 2HD LYS 29 -20.823 -7.927 2.353 454 HD3 LYS 29 1HD LYS 29 -20.855 -9.343 3.407 455 HE2 LYS 29 2HE LYS 29 -20.943 -7.899 5.367 456 HE3 LYS 29 1HE LYS 29 -20.848 -6.471 4.337 457 HZ1 LYS 29 3HZ LYS 29 -23.071 -8.430 4.499 458 HZ2 LYS 29 1HZ LYS 29 -22.956 -7.236 3.294 459 HZ3 LYS 29 2HZ LYS 29 -23.099 -6.787 4.925 460 H ILE 30 H ILE 30 -15.929 -6.002 0.535 461 HA ILE 30 HA ILE 30 -14.498 -4.350 2.361 462 HB ILE 30 HB ILE 30 -15.233 -3.944 -0.540 463 HG12 ILE 30 2HG1 ILE 30 -12.423 -4.246 0.256 464 HG13 ILE 30 1HG1 ILE 30 -13.419 -5.657 0.605 465 HG21 ILE 30 1HG2 ILE 30 -14.776 -1.845 0.960 466 HG22 ILE 30 2HG2 ILE 30 -13.096 -2.366 0.806 467 HG23 ILE 30 3HG2 ILE 30 -14.036 -1.988 -0.638 468 HD11 ILE 30 3HD1 ILE 30 -13.349 -4.341 -2.091 469 HD12 ILE 30 1HD1 ILE 30 -12.260 -5.648 -1.620 470 HD13 ILE 30 2HD1 ILE 30 -14.001 -5.924 -1.664 471 H ALA 31 H ALA 31 -15.517 -3.166 3.798 472 HA ALA 31 HA ALA 31 -17.970 -1.752 3.024 473 HB1 ALA 31 1HB ALA 31 -18.700 -2.615 4.950 474 HB2 ALA 31 2HB ALA 31 -17.071 -3.043 5.470 475 HB3 ALA 31 3HB ALA 31 -17.681 -1.412 5.743 476 H ASP 32 H ASP 32 -15.086 -1.066 2.495 477 HA ASP 32 HA ASP 32 -14.687 1.378 4.019 478 HB2 ASP 32 2HB ASP 32 -13.055 -0.357 2.361 479 HB3 ASP 32 1HB ASP 32 -12.839 1.338 1.945 480 H ARG 33 H ARG 33 -16.729 0.673 1.678 481 HA ARG 33 HA ARG 33 -17.938 1.867 0.171 482 HB2 ARG 33 2HB ARG 33 -17.122 3.828 1.850 483 HB3 ARG 33 1HB ARG 33 -16.349 4.358 0.362 484 HG2 ARG 33 2HG ARG 33 -18.655 4.070 -0.713 485 HG3 ARG 33 1HG ARG 33 -19.265 4.020 0.943 486 HD2 ARG 33 2HD ARG 33 -17.459 6.195 0.748 487 HD3 ARG 33 1HD ARG 33 -18.558 6.284 -0.628 488 HE ARG 33 HE ARG 33 -20.397 6.327 0.947 489 HH11 ARG 33 2HH1 ARG 33 -17.205 6.923 2.268 490 HH12 ARG 33 1HH1 ARG 33 -17.811 7.712 3.689 491 HH21 ARG 33 2HH2 ARG 33 -21.182 7.395 2.810 492 HH22 ARG 33 1HH2 ARG 33 -20.051 7.998 3.994 493 H PHE 34 H PHE 34 -14.635 3.185 -0.093 494 HA PHE 34 HA PHE 34 -14.594 2.371 -2.916 495 HB2 PHE 34 2HB PHE 34 -13.222 4.496 -1.341 496 HB3 PHE 34 1HB PHE 34 -12.310 3.766 -2.658 497 HD1 PHE 34 2HD PHE 34 -15.884 4.775 -2.238 498 HD2 PHE 34 1HD PHE 34 -12.294 5.133 -4.500 499 HE1 PHE 34 2HE PHE 34 -17.046 6.228 -3.849 500 HE2 PHE 34 1HE PHE 34 -13.452 6.585 -6.112 501 HZ PHE 34 HZ PHE 34 -15.827 7.130 -5.794 502 H LEU 35 H LEU 35 -13.369 0.685 -3.535 503 HA LEU 35 HA LEU 35 -11.828 -0.637 -1.435 504 HB2 LEU 35 2HB LEU 35 -11.806 -2.447 -3.430 505 HB3 LEU 35 1HB LEU 35 -13.045 -2.360 -2.195 506 HG LEU 35 HG LEU 35 -13.506 -0.757 -4.646 507 HD11 LEU 35 1HD1 LEU 35 -12.810 -2.597 -5.839 508 HD12 LEU 35 2HD1 LEU 35 -13.318 -3.735 -4.591 509 HD13 LEU 35 3HD1 LEU 35 -14.522 -2.946 -5.610 510 HD21 LEU 35 3HD2 LEU 35 -15.219 -2.510 -2.890 511 HD22 LEU 35 1HD2 LEU 35 -15.153 -0.748 -2.889 512 HD23 LEU 35 2HD2 LEU 35 -15.803 -1.605 -4.287 513 H LEU 36 H LEU 36 -9.810 -1.699 -2.009 514 HA LEU 36 HA LEU 36 -8.223 0.047 -3.762 515 HB2 LEU 36 2HB LEU 36 -7.537 -1.518 -1.283 516 HB3 LEU 36 1HB LEU 36 -6.303 -0.875 -2.347 517 HG LEU 36 HG LEU 36 -6.408 0.749 -0.732 518 HD11 LEU 36 1HD1 LEU 36 -6.873 2.577 -1.920 519 HD12 LEU 36 2HD1 LEU 36 -7.352 1.454 -3.195 520 HD13 LEU 36 3HD1 LEU 36 -8.571 2.131 -2.112 521 HD21 LEU 36 3HD2 LEU 36 -8.015 0.882 0.786 522 HD22 LEU 36 1HD2 LEU 36 -9.224 1.275 -0.436 523 HD23 LEU 36 2HD2 LEU 36 -8.844 -0.409 -0.081 524 H TYR 37 H TYR 37 -7.114 -0.791 -5.404 525 HA TYR 37 HA TYR 37 -7.199 -3.689 -5.856 526 HB2 TYR 37 2HB TYR 37 -7.567 -1.439 -7.500 527 HB3 TYR 37 1HB TYR 37 -6.027 -2.130 -7.987 528 HD1 TYR 37 2HD TYR 37 -7.384 -4.973 -6.967 529 HD2 TYR 37 1HD TYR 37 -8.166 -1.982 -9.881 530 HE1 TYR 37 2HE TYR 37 -8.565 -6.632 -8.341 531 HE2 TYR 37 1HE TYR 37 -9.343 -3.617 -11.263 532 HH TYR 37 HH TYR 37 -9.233 -7.008 -10.617 533 H ALA 38 H ALA 38 -5.474 -4.594 -4.812 534 HA ALA 38 HA ALA 38 -2.836 -3.388 -5.305 535 HB1 ALA 38 1HB ALA 38 -3.394 -3.659 -2.944 536 HB2 ALA 38 2HB ALA 38 -3.641 -5.387 -3.192 537 HB3 ALA 38 3HB ALA 38 -2.033 -4.687 -3.397 538 H MET 39 H MET 39 -2.712 -6.603 -4.244 539 HA MET 39 HA MET 39 -1.563 -7.422 -6.743 540 HB2 MET 39 2HB MET 39 -1.362 -9.675 -5.521 541 HB3 MET 39 1HB MET 39 -0.422 -8.321 -4.929 542 HG2 MET 39 2HG MET 39 -2.625 -8.061 -3.409 543 HG3 MET 39 1HG MET 39 -2.610 -9.805 -3.659 544 HE1 MET 39 3HE MET 39 -2.044 -9.487 -0.454 545 HE2 MET 39 1HE MET 39 -2.320 -10.709 -1.697 546 HE3 MET 39 2HE MET 39 -0.852 -10.763 -0.714 547 H ASP 40 H ASP 40 -3.821 -6.890 -7.695 548 HA ASP 40 HA ASP 40 -5.263 -7.784 -9.212 549 HB2 ASP 40 2HB ASP 40 -3.625 -9.648 -9.424 550 HB3 ASP 40 1HB ASP 40 -4.476 -10.501 -8.143 551 H SER 41 H SER 41 -5.529 -8.359 -5.869 552 HA SER 41 HA SER 41 -8.262 -9.385 -6.138 553 HB2 SER 41 2HB SER 41 -7.361 -9.199 -3.414 554 HB3 SER 41 1HB SER 41 -7.772 -10.638 -4.347 555 HG SER 41 HG SER 41 -5.577 -10.363 -5.281 556 H TYR 42 H TYR 42 -9.800 -8.553 -4.403 557 HA TYR 42 HA TYR 42 -9.764 -5.640 -4.435 558 HB2 TYR 42 2HB TYR 42 -11.900 -7.551 -3.462 559 HB3 TYR 42 1HB TYR 42 -12.075 -5.810 -3.633 560 HD1 TYR 42 2HD TYR 42 -11.203 -5.087 -6.202 561 HD2 TYR 42 1HD TYR 42 -13.081 -8.717 -5.026 562 HE1 TYR 42 2HE TYR 42 -12.047 -5.390 -8.494 563 HE2 TYR 42 1HE TYR 42 -13.926 -9.029 -7.311 564 HH TYR 42 HH TYR 42 -12.816 -7.262 -9.959 565 H TRP 43 H TRP 43 -9.323 -4.424 -2.672 566 HA TRP 43 HA TRP 43 -9.299 -5.755 -0.052 567 HB2 TRP 43 2HB TRP 43 -7.191 -3.743 -0.835 568 HB3 TRP 43 1HB TRP 43 -7.202 -4.830 0.548 569 HD1 TRP 43 HD TRP 43 -6.530 -4.807 -3.222 570 HE1 TRP 43 1HE TRP 43 -5.155 -6.899 -3.811 571 HE3 TRP 43 3HE TRP 43 -6.659 -7.172 1.300 572 HZ2 TRP 43 2HZ TRP 43 -4.226 -9.226 -2.529 573 HZ3 TRP 43 3HZ TRP 43 -5.503 -9.324 1.541 574 HH2 TRP 43 HH TRP 43 -4.312 -10.333 -0.334 575 H HIS 44 H HIS 44 -9.165 -4.173 1.741 576 HA HIS 44 HA HIS 44 -10.204 -1.500 1.131 577 HB2 HIS 44 2HB HIS 44 -11.659 -1.682 3.227 578 HB3 HIS 44 1HB HIS 44 -12.223 -2.583 1.826 579 HD1 HIS 44 1HD HIS 44 -12.345 -3.081 5.240 580 HD2 HIS 44 2HD HIS 44 -10.714 -5.324 2.144 581 HE1 HIS 44 1HE HIS 44 -12.037 -5.454 6.136 582 H SER 45 H SER 45 -10.276 -0.552 3.792 583 HA SER 45 HA SER 45 -7.483 -0.077 4.083 584 HB2 SER 45 2HB SER 45 -9.794 0.718 5.867 585 HB3 SER 45 1HB SER 45 -8.150 1.345 5.993 586 HG SER 45 HG SER 45 -10.151 1.924 4.158 587 H ARG 46 H ARG 46 -9.572 -2.449 5.388 588 HA ARG 46 HA ARG 46 -7.724 -2.999 7.594 589 HB2 ARG 46 2HB ARG 46 -10.544 -3.257 7.283 590 HB3 ARG 46 1HB ARG 46 -9.872 -4.859 7.561 591 HG2 ARG 46 2HG ARG 46 -8.616 -3.771 9.518 592 HG3 ARG 46 1HG ARG 46 -9.767 -2.445 9.325 593 HD2 ARG 46 2HD ARG 46 -10.634 -5.309 9.624 594 HD3 ARG 46 1HD ARG 46 -10.371 -4.253 11.012 595 HE ARG 46 HE ARG 46 -12.388 -3.799 8.898 596 HH11 ARG 46 2HH1 ARG 46 -11.274 -3.458 12.207 597 HH12 ARG 46 1HH1 ARG 46 -12.705 -2.619 12.730 598 HH21 ARG 46 2HH2 ARG 46 -14.241 -2.677 9.576 599 HH22 ARG 46 1HH2 ARG 46 -14.370 -2.125 11.221 600 H CYS 47 H CYS 47 -8.235 -3.905 4.426 601 HA CYS 47 HA CYS 47 -7.098 -6.570 4.851 602 HB2 CYS 47 2HB CYS 47 -8.943 -5.501 2.935 603 HB3 CYS 47 1HB CYS 47 -7.519 -6.102 2.090 604 H LEU 48 H LEU 48 -6.654 -3.751 2.734 605 HA LEU 48 HA LEU 48 -3.959 -4.465 2.079 606 HB2 LEU 48 2HB LEU 48 -5.901 -2.460 1.281 607 HB3 LEU 48 1HB LEU 48 -4.310 -1.761 1.489 608 HG LEU 48 HG LEU 48 -5.306 -3.621 -0.577 609 HD11 LEU 48 1HD1 LEU 48 -4.218 -1.077 -0.451 610 HD12 LEU 48 2HD1 LEU 48 -2.934 -2.074 -1.138 611 HD13 LEU 48 3HD1 LEU 48 -4.522 -2.029 -1.905 612 HD21 LEU 48 3HD2 LEU 48 -3.764 -5.161 0.304 613 HD22 LEU 48 1HD2 LEU 48 -2.900 -4.352 -1.001 614 HD23 LEU 48 2HD2 LEU 48 -2.588 -3.902 0.675 615 H LYS 49 H LYS 49 -3.225 -4.699 4.267 616 HA LYS 49 HA LYS 49 -2.107 -2.197 5.272 617 HB2 LYS 49 2HB LYS 49 -2.635 -3.179 7.651 618 HB3 LYS 49 1HB LYS 49 -3.863 -2.256 6.797 619 HG2 LYS 49 2HG LYS 49 -5.158 -3.998 7.407 620 HG3 LYS 49 1HG LYS 49 -4.497 -4.706 5.932 621 HD2 LYS 49 2HD LYS 49 -2.795 -5.863 7.212 622 HD3 LYS 49 1HD LYS 49 -3.355 -5.093 8.697 623 HE2 LYS 49 2HE LYS 49 -4.427 -7.099 8.883 624 HE3 LYS 49 1HE LYS 49 -5.648 -6.195 7.989 625 HZ1 LYS 49 3HZ LYS 49 -3.635 -7.670 6.453 626 HZ2 LYS 49 1HZ LYS 49 -5.268 -7.375 6.097 627 HZ3 LYS 49 2HZ LYS 49 -4.849 -8.565 7.228 628 H CYS 50 H CYS 50 -0.323 -2.570 6.761 629 HA CYS 50 HA CYS 50 1.390 -4.652 5.924 630 HB2 CYS 50 2HB CYS 50 2.174 -2.472 6.810 631 HB3 CYS 50 1HB CYS 50 1.571 -2.918 8.401 632 H SER 51 H SER 51 1.656 -6.673 6.683 633 HA SER 51 HA SER 51 -0.182 -7.758 8.562 634 HB2 SER 51 2HB SER 51 2.379 -9.034 7.583 635 HB3 SER 51 1HB SER 51 0.934 -9.850 8.181 636 HG SER 51 HG SER 51 1.261 -8.407 5.757 637 H SER 52 H SER 52 2.604 -5.978 8.936 638 HA SER 52 HA SER 52 3.180 -7.109 11.585 639 HB2 SER 52 2HB SER 52 5.073 -5.113 10.700 640 HB3 SER 52 1HB SER 52 5.349 -6.810 11.094 641 HG SER 52 HG SER 52 4.597 -5.677 8.609 642 H CYS 53 H CYS 53 2.711 -4.012 9.879 643 HA CYS 53 HA CYS 53 2.634 -2.523 12.351 644 HB2 CYS 53 2HB CYS 53 2.096 -1.755 9.484 645 HB3 CYS 53 1HB CYS 53 1.980 -0.618 10.822 646 H GLN 54 H GLN 54 0.331 -3.861 10.097 647 HA GLN 54 HA GLN 54 -1.927 -3.964 10.021 648 HB2 GLN 54 2HB GLN 54 -1.744 -3.296 12.968 649 HB3 GLN 54 1HB GLN 54 -3.190 -3.867 12.144 650 HG2 GLN 54 2HG GLN 54 -0.720 -5.506 11.964 651 HG3 GLN 54 1HG GLN 54 -1.618 -5.497 13.478 652 HE21 GLN 54 1HE2 GLN 54 -4.100 -4.996 11.709 653 HE22 GLN 54 2HE2 GLN 54 -4.519 -6.594 11.192 654 H ALA 55 H ALA 55 -0.449 -1.474 9.597 655 HA ALA 55 HA ALA 55 -2.421 0.570 10.284 656 HB1 ALA 55 1HB ALA 55 -0.643 2.063 9.131 657 HB2 ALA 55 2HB ALA 55 -0.284 1.391 10.723 658 HB3 ALA 55 3HB ALA 55 0.402 0.649 9.276 659 H GLN 56 H GLN 56 -3.234 1.991 8.609 660 HA GLN 56 HA GLN 56 -4.319 0.501 6.463 661 HB2 GLN 56 2HB GLN 56 -4.439 3.321 7.391 662 HB3 GLN 56 1HB GLN 56 -4.914 3.000 5.730 663 HG2 GLN 56 2HG GLN 56 -6.845 2.980 7.174 664 HG3 GLN 56 1HG GLN 56 -6.562 1.372 6.515 665 HE21 GLN 56 1HE2 GLN 56 -6.271 -0.298 7.882 666 HE22 GLN 56 2HE2 GLN 56 -6.218 -0.154 9.607 667 H LEU 57 H LEU 57 -2.920 -0.276 5.006 668 HA LEU 57 HA LEU 57 -0.670 1.227 4.053 669 HB2 LEU 57 2HB LEU 57 -1.529 -1.492 4.070 670 HB3 LEU 57 1HB LEU 57 -1.181 -1.040 2.412 671 HG LEU 57 HG LEU 57 1.065 -0.442 2.981 672 HD11 LEU 57 1HD1 LEU 57 1.189 0.504 5.040 673 HD12 LEU 57 2HD1 LEU 57 0.072 -0.655 5.760 674 HD13 LEU 57 3HD1 LEU 57 1.743 -1.120 5.440 675 HD21 LEU 57 3HD2 LEU 57 0.245 -2.908 2.744 676 HD22 LEU 57 1HD2 LEU 57 1.909 -2.556 3.205 677 HD23 LEU 57 2HD2 LEU 57 0.730 -3.009 4.435 678 H GLY 58 H GLY 58 -3.932 0.797 3.052 679 HA2 GLY 58 1HA GLY 58 -3.467 1.550 0.306 680 HA3 GLY 58 2HA GLY 58 -5.030 1.365 1.089 681 H ASP 59 H ASP 59 -3.765 3.216 3.257 682 HA ASP 59 HA ASP 59 -4.749 5.649 1.947 683 HB2 ASP 59 2HB ASP 59 -5.560 4.539 4.279 684 HB3 ASP 59 1HB ASP 59 -4.336 5.655 4.873 685 H ILE 60 H ILE 60 -2.085 4.819 1.438 686 HA ILE 60 HA ILE 60 -0.736 7.216 2.429 687 HB ILE 60 HB ILE 60 1.382 5.479 2.262 688 HG12 ILE 60 2HG1 ILE 60 -0.615 4.031 3.977 689 HG13 ILE 60 1HG1 ILE 60 -0.474 3.649 2.262 690 HG21 ILE 60 1HG2 ILE 60 0.581 7.289 3.982 691 HG22 ILE 60 2HG2 ILE 60 0.056 5.879 4.898 692 HG23 ILE 60 3HG2 ILE 60 1.751 6.057 4.448 693 HD11 ILE 60 3HD1 ILE 60 0.950 2.112 3.149 694 HD12 ILE 60 1HD1 ILE 60 2.075 3.440 2.858 695 HD13 ILE 60 2HD1 ILE 60 1.434 3.162 4.479 696 H GLY 61 H GLY 61 0.656 8.164 1.005 697 HA2 GLY 61 1HA GLY 61 0.249 7.734 -1.739 698 HA3 GLY 61 2HA GLY 61 1.504 8.744 -1.040 699 H THR 62 H THR 62 2.891 6.706 0.380 700 HA THR 62 HA THR 62 4.331 5.461 -1.779 701 HB THR 62 HB THR 62 4.984 4.456 0.867 702 HG1 THR 62 1HG THR 62 5.125 7.284 0.457 703 HG21 THR 62 3HG2 THR 62 6.872 6.259 -0.440 704 HG22 THR 62 1HG2 THR 62 6.278 4.985 -1.507 705 HG23 THR 62 2HG2 THR 62 7.061 4.565 0.019 706 H SER 63 H SER 63 3.800 3.579 -2.657 707 HA SER 63 HA SER 63 1.618 2.062 -1.616 708 HB2 SER 63 2HB SER 63 3.395 1.104 -3.835 709 HB3 SER 63 1HB SER 63 1.648 0.928 -3.651 710 HG SER 63 HG SER 63 1.675 3.349 -3.833 711 H SER 64 H SER 64 1.695 -0.283 -1.291 712 HA SER 64 HA SER 64 3.809 -0.996 0.509 713 HB2 SER 64 2HB SER 64 2.081 -3.198 -0.161 714 HB3 SER 64 1HB SER 64 2.188 -2.293 1.354 715 HG SER 64 HG SER 64 0.608 -0.969 0.703 716 H TYR 65 H TYR 65 4.783 -3.259 0.302 717 HA TYR 65 HA TYR 65 5.435 -3.862 -2.502 718 HB2 TYR 65 2HB TYR 65 7.377 -3.712 -0.188 719 HB3 TYR 65 1HB TYR 65 7.771 -4.341 -1.782 720 HD1 TYR 65 2HD TYR 65 7.992 -2.833 -3.693 721 HD2 TYR 65 1HD TYR 65 7.129 -1.341 0.196 722 HE1 TYR 65 2HE TYR 65 8.584 -0.564 -4.435 723 HE2 TYR 65 1HE TYR 65 7.718 0.930 -0.535 724 HH TYR 65 HH TYR 65 9.473 1.668 -3.011 725 H THR 66 H THR 66 6.135 -6.050 -2.871 726 HA THR 66 HA THR 66 5.676 -7.922 -0.679 727 HB THR 66 HB THR 66 3.526 -7.580 -2.032 728 HG1 THR 66 1HG THR 66 3.506 -9.335 -0.760 729 HG21 THR 66 3HG2 THR 66 5.304 -8.406 -4.140 730 HG22 THR 66 1HG2 THR 66 3.637 -7.838 -4.246 731 HG23 THR 66 2HG2 THR 66 3.972 -9.549 -3.977 732 H LYS 67 H LYS 67 6.209 -10.191 -1.414 733 HA LYS 67 HA LYS 67 7.994 -10.570 -3.595 734 HB2 LYS 67 2HB LYS 67 9.354 -9.250 -1.847 735 HB3 LYS 67 1HB LYS 67 9.304 -10.716 -0.883 736 HG2 LYS 67 2HG LYS 67 10.578 -11.920 -2.448 737 HG3 LYS 67 1HG LYS 67 10.344 -10.698 -3.699 738 HD2 LYS 67 2HD LYS 67 11.885 -9.259 -2.772 739 HD3 LYS 67 1HD LYS 67 11.694 -9.930 -1.151 740 HE2 LYS 67 2HE LYS 67 13.503 -11.171 -1.489 741 HE3 LYS 67 1HE LYS 67 12.650 -12.015 -2.779 742 HZ1 LYS 67 3HZ LYS 67 14.559 -11.212 -3.796 743 HZ2 LYS 67 1HZ LYS 67 14.504 -9.720 -2.990 744 HZ3 LYS 67 2HZ LYS 67 13.395 -10.061 -4.228 745 H SER 68 H SER 68 7.611 -11.714 -0.259 746 HA SER 68 HA SER 68 7.524 -14.465 -1.158 747 HB2 SER 68 2HB SER 68 7.050 -13.803 1.689 748 HB3 SER 68 1HB SER 68 8.147 -14.987 0.969 749 HG SER 68 HG SER 68 9.678 -13.496 0.787 750 H GLY 69 H GLY 69 5.290 -12.445 -1.638 751 HA2 GLY 69 1HA GLY 69 3.019 -12.715 -1.956 752 HA3 GLY 69 2HA GLY 69 3.136 -14.280 -1.164 753 H MET 70 H MET 70 4.332 -11.453 0.427 754 HA MET 70 HA MET 70 2.055 -11.593 2.287 755 HB2 MET 70 2HB MET 70 4.985 -11.415 2.735 756 HB3 MET 70 1HB MET 70 3.963 -10.474 3.811 757 HG2 MET 70 2HG MET 70 2.690 -12.591 4.278 758 HG3 MET 70 1HG MET 70 3.951 -13.449 3.395 759 HE1 MET 70 3HE MET 70 6.429 -11.696 4.094 760 HE2 MET 70 1HE MET 70 7.101 -12.345 5.589 761 HE3 MET 70 2HE MET 70 6.630 -13.439 4.288 762 H ILE 71 H ILE 71 1.302 -9.641 3.191 763 HA ILE 71 HA ILE 71 1.903 -7.278 1.563 764 HB ILE 71 HB ILE 71 -0.245 -7.377 3.659 765 HG12 ILE 71 2HG1 ILE 71 -0.968 -8.033 0.853 766 HG13 ILE 71 1HG1 ILE 71 -0.209 -9.311 1.799 767 HG21 ILE 71 1HG2 ILE 71 -0.319 -5.257 2.914 768 HG22 ILE 71 2HG2 ILE 71 0.514 -5.646 1.409 769 HG23 ILE 71 3HG2 ILE 71 -1.213 -5.960 1.567 770 HD11 ILE 71 3HD1 ILE 71 -2.845 -8.899 1.727 771 HD12 ILE 71 1HD1 ILE 71 -2.008 -9.581 3.123 772 HD13 ILE 71 2HD1 ILE 71 -2.425 -7.867 3.095 773 H LEU 72 H LEU 72 3.526 -6.095 2.311 774 HA LEU 72 HA LEU 72 3.544 -5.398 5.166 775 HB2 LEU 72 2HB LEU 72 6.058 -5.832 3.558 776 HB3 LEU 72 1HB LEU 72 5.922 -5.569 5.287 777 HG LEU 72 HG LEU 72 4.650 -7.991 4.079 778 HD11 LEU 72 1HD1 LEU 72 7.215 -8.689 5.042 779 HD12 LEU 72 2HD1 LEU 72 6.569 -8.872 3.412 780 HD13 LEU 72 3HD1 LEU 72 7.421 -7.396 3.861 781 HD21 LEU 72 3HD2 LEU 72 5.294 -6.970 6.716 782 HD22 LEU 72 1HD2 LEU 72 4.183 -8.254 6.241 783 HD23 LEU 72 2HD2 LEU 72 5.893 -8.611 6.466 784 H CYS 73 H CYS 73 4.510 -3.339 5.627 785 HA CYS 73 HA CYS 73 3.872 -1.371 3.672 786 HB2 CYS 73 2HB CYS 73 4.587 0.245 5.338 787 HB3 CYS 73 1HB CYS 73 3.612 -0.999 6.108 788 H ARG 74 H ARG 74 5.513 0.447 3.220 789 HA ARG 74 HA ARG 74 7.616 -0.620 1.685 790 HB2 ARG 74 2HB ARG 74 8.210 1.611 1.151 791 HB3 ARG 74 1HB ARG 74 6.465 1.613 1.340 792 HG2 ARG 74 2HG ARG 74 6.616 3.231 2.836 793 HG3 ARG 74 1HG ARG 74 7.638 2.219 3.858 794 HD2 ARG 74 2HD ARG 74 9.163 3.212 1.644 795 HD3 ARG 74 1HD ARG 74 8.359 4.553 2.456 796 HE ARG 74 HE ARG 74 9.398 3.658 4.550 797 HH11 ARG 74 2HH1 ARG 74 10.838 3.042 1.412 798 HH12 ARG 74 1HH1 ARG 74 12.442 2.831 2.060 799 HH21 ARG 74 2HH2 ARG 74 11.481 3.351 5.400 800 HH22 ARG 74 1HH2 ARG 74 12.809 3.009 4.328 801 H ASN 75 H ASN 75 7.436 0.309 4.997 802 HA ASN 75 HA ASN 75 10.296 0.565 5.348 803 HB2 ASN 75 2HB ASN 75 7.956 0.596 7.256 804 HB3 ASN 75 1HB ASN 75 9.627 0.639 7.816 805 HD21 ASN 75 1HD2 ASN 75 7.016 2.469 6.995 806 HD22 ASN 75 2HD2 ASN 75 7.816 3.979 6.693 807 H ASP 76 H ASP 76 7.748 -1.730 6.224 808 HA ASP 76 HA ASP 76 9.423 -3.456 7.705 809 HB2 ASP 76 2HB ASP 76 6.651 -3.418 6.846 810 HB3 ASP 76 1HB ASP 76 7.333 -5.041 6.768 811 H TYR 77 H TYR 77 8.358 -3.509 4.322 812 HA TYR 77 HA TYR 77 9.408 -6.036 3.714 813 HB2 TYR 77 2HB TYR 77 7.943 -5.129 2.094 814 HB3 TYR 77 1HB TYR 77 8.871 -3.635 1.971 815 HD1 TYR 77 2HD TYR 77 9.541 -7.305 1.623 816 HD2 TYR 77 1HD TYR 77 10.089 -3.398 0.020 817 HE1 TYR 77 2HE TYR 77 10.866 -8.248 -0.222 818 HE2 TYR 77 1HE TYR 77 11.424 -4.336 -1.815 819 HH TYR 77 HH TYR 77 12.924 -6.721 -1.949 820 H ILE 78 H ILE 78 10.883 -2.814 3.447 821 HA ILE 78 HA ILE 78 13.308 -3.790 2.321 822 HB ILE 78 HB ILE 78 12.665 -1.154 3.656 823 HG12 ILE 78 2HG1 ILE 78 13.008 -1.950 0.754 824 HG13 ILE 78 1HG1 ILE 78 11.480 -1.588 1.553 825 HG21 ILE 78 1HG2 ILE 78 14.808 -0.559 3.603 826 HG22 ILE 78 2HG2 ILE 78 15.215 -2.230 3.210 827 HG23 ILE 78 3HG2 ILE 78 14.954 -1.056 1.917 828 HD11 ILE 78 3HD1 ILE 78 13.701 0.420 1.354 829 HD12 ILE 78 1HD1 ILE 78 12.475 0.228 0.101 830 HD13 ILE 78 2HD1 ILE 78 12.001 0.693 1.734 831 H ARG 79 H ARG 79 12.244 -3.035 5.584 832 HA ARG 79 HA ARG 79 14.707 -3.426 6.890 833 HB2 ARG 79 2HB ARG 79 12.204 -2.642 7.647 834 HB3 ARG 79 1HB ARG 79 12.283 -4.255 8.344 835 HG2 ARG 79 2HG ARG 79 14.515 -3.513 9.346 836 HG3 ARG 79 1HG ARG 79 14.006 -1.873 8.931 837 HD2 ARG 79 2HD ARG 79 13.463 -2.669 11.280 838 HD3 ARG 79 1HD ARG 79 12.128 -1.989 10.353 839 HE ARG 79 HE ARG 79 12.570 -4.868 10.823 840 HH11 ARG 79 2HH1 ARG 79 10.433 -2.158 10.135 841 HH12 ARG 79 1HH1 ARG 79 9.000 -3.141 10.166 842 HH21 ARG 79 2HH2 ARG 79 10.663 -6.127 10.894 843 HH22 ARG 79 1HH2 ARG 79 9.129 -5.372 10.550 844 H LEU 80 H LEU 80 12.077 -5.640 6.057 845 HA LEU 80 HA LEU 80 13.288 -7.903 7.334 846 HB2 LEU 80 2HB LEU 80 10.775 -7.276 6.367 847 HB3 LEU 80 1HB LEU 80 11.338 -8.496 5.240 848 HG LEU 80 HG LEU 80 11.270 -8.860 8.242 849 HD11 LEU 80 1HD1 LEU 80 9.303 -9.638 6.106 850 HD12 LEU 80 2HD1 LEU 80 9.345 -10.387 7.704 851 HD13 LEU 80 3HD1 LEU 80 9.015 -8.660 7.546 852 HD21 LEU 80 3HD2 LEU 80 11.181 -11.277 6.743 853 HD22 LEU 80 1HD2 LEU 80 12.554 -10.316 6.185 854 HD23 LEU 80 2HD2 LEU 80 12.402 -10.733 7.894 855 H PHE 81 H PHE 81 12.594 -7.239 3.890 856 HA PHE 81 HA PHE 81 14.772 -9.099 3.201 857 HB2 PHE 81 2HB PHE 81 12.486 -8.182 1.445 858 HB3 PHE 81 1HB PHE 81 13.659 -9.438 1.075 859 HD1 PHE 81 2HD PHE 81 13.666 -11.528 2.498 860 HD2 PHE 81 1HD PHE 81 10.502 -8.680 2.568 861 HE1 PHE 81 2HE PHE 81 12.165 -13.219 3.469 862 HE2 PHE 81 1HE PHE 81 8.996 -10.374 3.534 863 HZ PHE 81 HZ PHE 81 9.831 -12.642 3.991 864 H GLY 82 H GLY 82 13.180 -6.251 1.755 865 HA2 GLY 82 1HA GLY 82 14.119 -4.329 0.870 866 HA3 GLY 82 2HA GLY 82 15.694 -4.886 1.416 Start of MODEL 5 1 H SER 641 1H SER 641 31.423 -23.192 -10.972 2 HA SER 641 HA SER 641 33.269 -22.195 -9.943 3 HB2 SER 641 2HB SER 641 33.120 -19.561 -11.156 4 HB3 SER 641 1HB SER 641 34.508 -20.634 -10.990 5 HG SER 641 HG SER 641 34.147 -20.395 -13.159 6 H LEU 642 H LEU 642 33.167 -19.559 -9.063 7 HA LEU 642 HA LEU 642 31.132 -19.539 -7.193 8 HB2 LEU 642 2HB LEU 642 33.344 -18.038 -7.677 9 HB3 LEU 642 1HB LEU 642 32.076 -16.890 -8.062 10 HG LEU 642 HG LEU 642 31.695 -18.310 -5.514 11 HD11 LEU 642 1HD1 LEU 642 34.113 -18.085 -5.462 12 HD12 LEU 642 2HD1 LEU 642 33.976 -16.376 -5.874 13 HD13 LEU 642 3HD1 LEU 642 33.361 -16.961 -4.330 14 HD21 LEU 642 3HD2 LEU 642 31.348 -15.871 -4.833 15 HD22 LEU 642 1HD2 LEU 642 31.490 -15.503 -6.552 16 HD23 LEU 642 2HD2 LEU 642 30.205 -16.568 -5.981 17 H GLN 643 H GLN 643 29.110 -19.863 -7.960 18 HA GLN 643 HA GLN 643 27.525 -17.701 -8.712 19 HB2 GLN 643 2HB GLN 643 28.930 -18.464 -10.911 20 HB3 GLN 643 1HB GLN 643 27.527 -19.515 -11.055 21 HG2 GLN 643 2HG GLN 643 26.211 -17.849 -11.699 22 HG3 GLN 643 1HG GLN 643 26.806 -16.772 -10.437 23 HE21 GLN 643 1HE2 GLN 643 29.402 -16.458 -11.012 24 HE22 GLN 643 2HE2 GLN 643 29.602 -15.736 -12.574 25 H ASN 644 H ASN 644 27.725 -21.109 -9.699 26 HA ASN 644 HA ASN 644 25.259 -21.625 -8.163 27 HB2 ASN 644 2HB ASN 644 25.233 -21.839 -10.757 28 HB3 ASN 644 1HB ASN 644 26.147 -23.319 -10.486 29 HD21 ASN 644 1HD2 ASN 644 23.455 -21.879 -8.665 30 HD22 ASN 644 2HD2 ASN 644 22.391 -23.232 -8.860 31 H ASN 645 H ASN 645 28.438 -21.935 -8.076 32 HA ASN 645 HA ASN 645 28.303 -24.271 -6.338 33 HB2 ASN 645 2HB ASN 645 29.238 -25.443 -8.092 34 HB3 ASN 645 1HB ASN 645 29.964 -24.009 -8.803 35 HD21 ASN 645 1HD2 ASN 645 30.278 -26.400 -6.240 36 HD22 ASN 645 2HD2 ASN 645 31.987 -26.205 -6.023 37 H GLN 646 H GLN 646 29.188 -23.787 -4.440 38 HA GLN 646 HA GLN 646 30.233 -22.608 -2.793 39 HB2 GLN 646 2HB GLN 646 32.252 -22.570 -5.011 40 HB3 GLN 646 1HB GLN 646 32.581 -21.733 -3.500 41 HG2 GLN 646 2HG GLN 646 31.878 -24.061 -2.475 42 HG3 GLN 646 1HG GLN 646 32.379 -24.637 -4.065 43 HE21 GLN 646 1HE2 GLN 646 34.257 -25.608 -3.669 44 HE22 GLN 646 2HE2 GLN 646 35.623 -24.859 -2.903 45 H ASP 647 H ASP 647 28.292 -21.179 -4.123 46 HA ASP 647 HA ASP 647 29.236 -18.617 -4.964 47 HB2 ASP 647 2HB ASP 647 26.702 -18.058 -4.737 48 HB3 ASP 647 1HB ASP 647 27.225 -19.177 -5.988 49 H VAL 648 H VAL 648 30.321 -17.537 -3.462 50 HA VAL 648 HA VAL 648 28.872 -16.801 -1.003 51 HB VAL 648 HB VAL 648 31.159 -16.376 0.001 52 HG11 VAL 648 1HG1 VAL 648 30.104 -18.226 0.885 53 HG12 VAL 648 2HG1 VAL 648 30.113 -19.097 -0.647 54 HG13 VAL 648 3HG1 VAL 648 31.606 -18.921 0.274 55 HG21 VAL 648 3HG2 VAL 648 32.966 -16.555 -1.278 56 HG22 VAL 648 1HG2 VAL 648 32.636 -18.276 -1.491 57 HG23 VAL 648 2HG2 VAL 648 31.979 -17.103 -2.632 58 H SER 649 H SER 649 30.043 -14.663 -0.111 59 HA SER 649 HA SER 649 30.080 -12.789 -2.362 60 HB2 SER 649 2HB SER 649 30.110 -11.600 0.304 61 HB3 SER 649 1HB SER 649 28.983 -11.340 -1.027 62 HG SER 649 HG SER 649 28.930 -13.356 0.966 63 H PHE 650 H PHE 650 31.857 -11.565 -2.821 64 HA PHE 650 HA PHE 650 34.183 -11.779 -1.039 65 HB2 PHE 650 2HB PHE 650 33.915 -13.315 -3.360 66 HB3 PHE 650 1HB PHE 650 34.969 -11.986 -3.831 67 HD1 PHE 650 2HD PHE 650 34.684 -13.801 -0.597 68 HD2 PHE 650 1HD PHE 650 37.091 -12.868 -3.973 69 HE1 PHE 650 2HE PHE 650 36.589 -14.947 0.452 70 HE2 PHE 650 1HE PHE 650 39.007 -14.010 -2.930 71 HZ PHE 650 HZ PHE 650 38.756 -15.054 -0.714 72 H GLU 651 H GLU 651 35.506 -10.027 -1.030 73 HA GLU 651 HA GLU 651 34.469 -7.570 -2.007 74 HB2 GLU 651 2HB GLU 651 37.235 -8.141 -0.927 75 HB3 GLU 651 1HB GLU 651 36.461 -6.566 -1.034 76 HG2 GLU 651 2HG GLU 651 35.970 -6.952 1.115 77 HG3 GLU 651 1HG GLU 651 34.639 -7.887 0.434 78 H ASN 652 H ASN 652 36.389 -9.946 -3.461 79 HA ASN 652 HA ASN 652 37.895 -8.200 -5.182 80 HB2 ASN 652 2HB ASN 652 38.406 -10.670 -4.378 81 HB3 ASN 652 1HB ASN 652 37.498 -11.087 -5.829 82 HD21 ASN 652 1HD2 ASN 652 38.411 -10.807 -7.806 83 HD22 ASN 652 2HD2 ASN 652 40.043 -10.250 -8.046 84 H ILE 653 H ILE 653 34.739 -9.455 -5.182 85 HA ILE 653 HA ILE 653 34.440 -8.707 -8.012 86 HB ILE 653 HB ILE 653 32.327 -10.425 -7.533 87 HG12 ILE 653 2HG1 ILE 653 34.703 -12.035 -6.737 88 HG13 ILE 653 1HG1 ILE 653 33.921 -11.071 -5.490 89 HG21 ILE 653 1HG2 ILE 653 34.040 -12.008 -8.880 90 HG22 ILE 653 2HG2 ILE 653 33.150 -10.673 -9.610 91 HG23 ILE 653 3HG2 ILE 653 34.820 -10.440 -9.093 92 HD11 ILE 653 3HD1 ILE 653 31.753 -12.195 -6.275 93 HD12 ILE 653 1HD1 ILE 653 32.817 -13.357 -7.070 94 HD13 ILE 653 2HD1 ILE 653 32.894 -13.140 -5.321 95 H GLN 654 H GLN 654 33.767 -6.642 -7.513 96 HA GLN 654 HA GLN 654 31.309 -6.417 -5.907 97 HB2 GLN 654 2HB GLN 654 33.714 -4.762 -6.133 98 HB3 GLN 654 1HB GLN 654 32.220 -3.842 -6.270 99 HG2 GLN 654 2HG GLN 654 32.741 -5.772 -4.031 100 HG3 GLN 654 1HG GLN 654 33.196 -4.071 -3.957 101 HE21 GLN 654 1HE2 GLN 654 31.663 -4.597 -2.026 102 HE22 GLN 654 2HE2 GLN 654 30.004 -4.159 -2.290 103 H TRP 655 H TRP 655 30.899 -7.354 -8.351 104 HA TRP 655 HA TRP 655 30.227 -5.158 -10.132 105 HB2 TRP 655 2HB TRP 655 29.505 -6.971 -11.694 106 HB3 TRP 655 1HB TRP 655 31.185 -7.106 -11.198 107 HD1 TRP 655 HD TRP 655 31.450 -8.929 -8.941 108 HE1 TRP 655 1HE TRP 655 30.426 -11.283 -8.788 109 HE3 TRP 655 3HE TRP 655 27.761 -8.441 -12.447 110 HZ2 TRP 655 2HZ TRP 655 28.337 -12.743 -9.986 111 HZ3 TRP 655 3HZ TRP 655 26.296 -10.372 -12.888 112 HH2 TRP 655 HH TRP 655 26.580 -12.474 -11.685 113 H SER 656 H SER 656 27.883 -6.436 -11.256 114 HA SER 656 HA SER 656 25.908 -5.510 -9.397 115 HB2 SER 656 2HB SER 656 24.851 -7.032 -11.636 116 HB3 SER 656 1HB SER 656 24.648 -5.321 -11.251 117 HG SER 656 HG SER 656 26.242 -4.806 -12.560 118 H ILE 657 H ILE 657 26.466 -7.029 -7.659 119 HA ILE 657 HA ILE 657 25.795 -9.821 -8.117 120 HB ILE 657 HB ILE 657 26.218 -9.382 -5.345 121 HG12 ILE 657 2HG1 ILE 657 28.782 -8.611 -6.016 122 HG13 ILE 657 1HG1 ILE 657 27.789 -7.578 -7.037 123 HG21 ILE 657 1HG2 ILE 657 28.219 -10.790 -5.758 124 HG22 ILE 657 2HG2 ILE 657 26.743 -11.432 -6.476 125 HG23 ILE 657 3HG2 ILE 657 27.934 -10.620 -7.491 126 HD11 ILE 657 3HD1 ILE 657 26.539 -7.393 -4.609 127 HD12 ILE 657 1HD1 ILE 657 28.242 -7.503 -4.165 128 HD13 ILE 657 2HD1 ILE 657 27.696 -6.237 -5.264 129 H ASP 658 H ASP 658 24.225 -7.027 -7.309 130 HA ASP 658 HA ASP 658 22.241 -8.124 -5.540 131 HB2 ASP 658 2HB ASP 658 22.621 -5.523 -6.970 132 HB3 ASP 658 1HB ASP 658 21.010 -5.934 -6.394 133 HA PRO 659 HA PRO 659 19.995 -10.073 -8.880 134 HB2 PRO 659 2HB PRO 659 17.899 -10.951 -7.412 135 HB3 PRO 659 1HB PRO 659 19.489 -11.718 -7.358 136 HG2 PRO 659 2HG PRO 659 18.263 -9.772 -5.440 137 HG3 PRO 659 1HG PRO 659 19.204 -11.236 -5.104 138 HD2 PRO 659 2HD PRO 659 20.274 -8.736 -5.011 139 HD3 PRO 659 1HD PRO 659 21.214 -10.177 -5.446 140 H GLY 660 H GLY 660 19.216 -7.284 -7.250 141 HA2 GLY 660 1HA GLY 660 17.876 -5.872 -9.009 142 HA3 GLY 660 2HA GLY 660 16.589 -6.950 -8.485 143 H ALA 661 H ALA 661 18.774 -4.391 -7.503 144 HA ALA 661 HA ALA 661 17.751 -4.182 -4.833 145 HB1 ALA 661 1HB ALA 661 19.847 -2.967 -6.384 146 HB2 ALA 661 2HB ALA 661 18.927 -1.737 -5.517 147 HB3 ALA 661 3HB ALA 661 19.667 -3.074 -4.634 148 H ASP 662 H ASP 662 17.002 -2.757 -7.922 149 HA ASP 662 HA ASP 662 15.225 -0.757 -6.882 150 HB2 ASP 662 2HB ASP 662 16.208 -0.293 -9.002 151 HB3 ASP 662 1HB ASP 662 15.738 -1.864 -9.643 152 H LEU 663 H LEU 663 13.283 -1.186 -6.057 153 HA LEU 663 HA LEU 663 12.097 -3.805 -6.562 154 HB2 LEU 663 2HB LEU 663 10.936 -1.840 -4.637 155 HB3 LEU 663 1HB LEU 663 10.957 -3.590 -4.564 156 HG LEU 663 HG LEU 663 13.543 -2.119 -4.302 157 HD11 LEU 663 1HD1 LEU 663 11.290 -2.067 -2.376 158 HD12 LEU 663 2HD1 LEU 663 12.908 -2.335 -1.731 159 HD13 LEU 663 3HD1 LEU 663 12.563 -0.881 -2.669 160 HD21 LEU 663 3HD2 LEU 663 12.483 -4.589 -2.938 161 HD22 LEU 663 1HD2 LEU 663 13.415 -4.603 -4.435 162 HD23 LEU 663 2HD2 LEU 663 14.145 -4.001 -2.947 163 H SER 664 H SER 664 11.853 -2.336 -8.782 164 HA SER 664 HA SER 664 9.511 -0.748 -8.954 165 HB2 SER 664 2HB SER 664 9.827 -1.619 -11.481 166 HB3 SER 664 1HB SER 664 10.828 -0.348 -10.775 167 HG SER 664 HG SER 664 12.490 -1.624 -10.871 168 H GLN 665 H GLN 665 10.177 -4.095 -9.935 169 HA GLN 665 HA GLN 665 7.475 -4.674 -10.620 170 HB2 GLN 665 2HB GLN 665 9.351 -6.879 -9.929 171 HB3 GLN 665 1HB GLN 665 8.238 -6.734 -11.281 172 HG2 GLN 665 2HG GLN 665 10.650 -4.982 -11.134 173 HG3 GLN 665 1HG GLN 665 10.791 -6.646 -11.697 174 HE21 GLN 665 1HE2 GLN 665 10.597 -3.635 -12.772 175 HE22 GLN 665 2HE2 GLN 665 9.752 -3.875 -14.267 176 H TYR 666 H TYR 666 9.141 -4.490 -7.692 177 HA TYR 666 HA TYR 666 7.469 -6.390 -6.284 178 HB2 TYR 666 2HB TYR 666 9.777 -4.628 -5.537 179 HB3 TYR 666 1HB TYR 666 8.752 -5.295 -4.274 180 HD1 TYR 666 2HD TYR 666 8.264 -7.927 -5.971 181 HD2 TYR 666 1HD TYR 666 11.720 -5.812 -4.679 182 HE1 TYR 666 2HE TYR 666 9.552 -10.018 -6.012 183 HE2 TYR 666 1HE TYR 666 13.016 -7.900 -4.711 184 HH TYR 666 HH TYR 666 11.461 -11.007 -5.472 185 H LYS 667 H LYS 667 7.311 -3.160 -7.219 186 HA LYS 667 HA LYS 667 5.922 -2.081 -4.965 187 HB2 LYS 667 2HB LYS 667 6.576 -1.166 -7.725 188 HB3 LYS 667 1HB LYS 667 5.242 -0.374 -6.902 189 HG2 LYS 667 2HG LYS 667 6.933 -0.100 -4.957 190 HG3 LYS 667 1HG LYS 667 8.143 -0.398 -6.206 191 HD2 LYS 667 2HD LYS 667 6.364 1.461 -7.306 192 HD3 LYS 667 1HD LYS 667 6.637 1.992 -5.647 193 HE2 LYS 667 2HE LYS 667 8.774 2.556 -6.047 194 HE3 LYS 667 1HE LYS 667 9.055 1.149 -7.072 195 HZ1 LYS 667 3HZ LYS 667 9.027 3.567 -8.058 196 HZ2 LYS 667 1HZ LYS 667 7.350 3.295 -8.109 197 HZ3 LYS 667 2HZ LYS 667 8.403 2.258 -8.941 198 H MET 668 H MET 668 3.870 -2.433 -4.435 199 HA MET 668 HA MET 668 2.066 -3.600 -6.389 200 HB2 MET 668 2HB MET 668 0.432 -3.631 -4.473 201 HB3 MET 668 1HB MET 668 1.886 -4.581 -4.226 202 HG2 MET 668 2HG MET 668 2.807 -2.904 -2.781 203 HG3 MET 668 1HG MET 668 1.469 -1.812 -3.130 204 HE1 MET 668 3HE MET 668 2.873 -4.759 -1.644 205 HE2 MET 668 1HE MET 668 2.156 -4.701 -0.035 206 HE3 MET 668 2HE MET 668 1.503 -5.799 -1.250 207 H ASP 669 H ASP 669 1.275 -2.225 -7.815 208 HA ASP 669 HA ASP 669 0.931 0.542 -7.370 209 HB2 ASP 669 2HB ASP 669 1.224 -0.638 -9.609 210 HB3 ASP 669 1HB ASP 669 -0.479 -1.075 -9.493 211 H VAL 670 H VAL 670 -0.524 1.417 -6.075 212 HA VAL 670 HA VAL 670 -2.792 -0.143 -5.211 213 HB VAL 670 HB VAL 670 -2.539 2.678 -4.327 214 HG11 VAL 670 1HG1 VAL 670 -4.040 0.585 -3.528 215 HG12 VAL 670 2HG1 VAL 670 -2.674 0.430 -2.423 216 HG13 VAL 670 3HG1 VAL 670 -3.597 1.932 -2.478 217 HG21 VAL 670 3HG2 VAL 670 -0.276 0.909 -4.289 218 HG22 VAL 670 1HG2 VAL 670 -0.398 2.576 -3.729 219 HG23 VAL 670 2HG2 VAL 670 -0.806 1.249 -2.641 220 H THR 671 H THR 671 -4.211 -0.255 -6.872 221 HA THR 671 HA THR 671 -5.204 2.194 -8.107 222 HB THR 671 HB THR 671 -6.413 -0.464 -8.712 223 HG1 THR 671 1HG THR 671 -3.728 0.103 -8.868 224 HG21 THR 671 3HG2 THR 671 -6.324 0.433 -11.011 225 HG22 THR 671 1HG2 THR 671 -5.516 1.876 -10.398 226 HG23 THR 671 2HG2 THR 671 -7.171 1.517 -9.908 227 H VAL 672 H VAL 672 -6.761 3.268 -7.104 228 HA VAL 672 HA VAL 672 -8.430 1.927 -5.133 229 HB VAL 672 HB VAL 672 -8.771 4.814 -5.835 230 HG11 VAL 672 1HG1 VAL 672 -9.746 4.976 -3.809 231 HG12 VAL 672 2HG1 VAL 672 -9.915 3.227 -3.963 232 HG13 VAL 672 3HG1 VAL 672 -8.570 3.905 -3.047 233 HG21 VAL 672 3HG2 VAL 672 -6.260 4.081 -5.584 234 HG22 VAL 672 1HG2 VAL 672 -6.854 5.546 -4.801 235 HG23 VAL 672 2HG2 VAL 672 -6.663 4.062 -3.868 236 H ILE 673 H ILE 673 -10.576 1.553 -5.314 237 HA ILE 673 HA ILE 673 -11.804 2.178 -7.913 238 HB ILE 673 HB ILE 673 -12.344 -0.097 -6.021 239 HG12 ILE 673 2HG1 ILE 673 -12.001 -0.938 -8.687 240 HG13 ILE 673 1HG1 ILE 673 -10.761 0.276 -8.398 241 HG21 ILE 673 1HG2 ILE 673 -14.316 -0.582 -7.035 242 HG22 ILE 673 2HG2 ILE 673 -14.334 1.165 -7.298 243 HG23 ILE 673 3HG2 ILE 673 -13.804 0.081 -8.588 244 HD11 ILE 673 3HD1 ILE 673 -11.175 -2.349 -7.041 245 HD12 ILE 673 1HD1 ILE 673 -9.730 -1.711 -7.825 246 HD13 ILE 673 2HD1 ILE 673 -10.251 -1.060 -6.272 247 H ASP 674 H ASP 674 -13.599 3.375 -8.006 248 HA ASP 674 HA ASP 674 -14.507 4.745 -5.682 249 HB2 ASP 674 2HB ASP 674 -14.524 5.575 -8.123 250 HB3 ASP 674 1HB ASP 674 -16.010 4.645 -8.288 251 H THR 675 H THR 675 -15.274 3.293 -4.229 252 HA THR 675 HA THR 675 -16.956 2.328 -3.072 253 HB THR 675 HB THR 675 -18.788 2.407 -5.452 254 HG1 THR 675 1HG THR 675 -17.863 4.506 -5.256 255 HG21 THR 675 3HG2 THR 675 -20.035 1.473 -3.804 256 HG22 THR 675 1HG2 THR 675 -20.227 3.147 -3.287 257 HG23 THR 675 2HG2 THR 675 -19.013 2.120 -2.520 258 H LYS 676 H LYS 676 -18.060 0.300 -2.858 259 HA LYS 676 HA LYS 676 -16.595 -1.859 -3.925 260 HB2 LYS 676 2HB LYS 676 -18.502 -3.199 -2.793 261 HB3 LYS 676 1HB LYS 676 -17.435 -2.226 -1.789 262 HG2 LYS 676 2HG LYS 676 -19.062 -0.552 -1.489 263 HG3 LYS 676 1HG LYS 676 -20.059 -1.180 -2.801 264 HD2 LYS 676 2HD LYS 676 -19.583 -3.163 -0.734 265 HD3 LYS 676 1HD LYS 676 -20.365 -1.714 -0.104 266 HE2 LYS 676 2HE LYS 676 -21.314 -3.386 -2.431 267 HE3 LYS 676 1HE LYS 676 -22.019 -3.354 -0.817 268 HZ1 LYS 676 3HZ LYS 676 -22.339 -1.503 -3.012 269 HZ2 LYS 676 1HZ LYS 676 -22.077 -0.750 -1.510 270 HZ3 LYS 676 2HZ LYS 676 -23.370 -1.827 -1.703 271 H ASP 677 H ASP 677 -19.210 -0.151 -5.186 272 HA ASP 677 HA ASP 677 -20.406 -2.434 -6.545 273 HB2 ASP 677 2HB ASP 677 -21.260 0.462 -6.521 274 HB3 ASP 677 1HB ASP 677 -22.183 -0.891 -7.171 275 H GLY 678 H GLY 678 -21.389 -0.836 -8.724 276 HA2 GLY 678 1HA GLY 678 -20.570 0.332 -10.649 277 HA3 GLY 678 2HA GLY 678 -18.948 -0.199 -10.231 278 H SER 679 H SER 679 -19.204 -2.862 -9.919 279 HA SER 679 HA SER 679 -19.518 -3.749 -12.634 280 HB2 SER 679 2HB SER 679 -19.109 -5.771 -10.520 281 HB3 SER 679 1HB SER 679 -18.206 -5.496 -12.011 282 HG SER 679 HG SER 679 -17.157 -3.749 -11.006 283 H GLN 680 H GLN 680 -21.257 -4.063 -9.614 284 HA GLN 680 HA GLN 680 -23.326 -5.654 -10.929 285 HB2 GLN 680 2HB GLN 680 -23.809 -4.765 -8.162 286 HB3 GLN 680 1HB GLN 680 -23.994 -6.357 -8.878 287 HG2 GLN 680 2HG GLN 680 -22.307 -6.809 -7.445 288 HG3 GLN 680 1HG GLN 680 -21.347 -6.278 -8.826 289 HE21 GLN 680 1HE2 GLN 680 -23.041 -4.889 -6.036 290 HE22 GLN 680 2HE2 GLN 680 -21.801 -3.745 -5.630 291 H SER 681 H SER 681 -24.220 -4.171 -12.327 292 HA SER 681 HA SER 681 -24.851 -1.499 -11.531 293 HB2 SER 681 2HB SER 681 -26.227 -2.274 -13.924 294 HB3 SER 681 1HB SER 681 -24.824 -1.218 -13.751 295 HG SER 681 HG SER 681 -24.911 -3.649 -14.799 296 H LYS 682 H LYS 682 -26.115 -3.410 -9.839 297 HA LYS 682 HA LYS 682 -28.962 -3.116 -10.516 298 HB2 LYS 682 2HB LYS 682 -27.592 -5.305 -9.574 299 HB3 LYS 682 1HB LYS 682 -28.257 -4.628 -8.094 300 HG2 LYS 682 2HG LYS 682 -30.488 -4.782 -8.947 301 HG3 LYS 682 1HG LYS 682 -29.891 -5.268 -10.537 302 HD2 LYS 682 2HD LYS 682 -29.290 -6.859 -8.062 303 HD3 LYS 682 1HD LYS 682 -30.766 -7.108 -8.996 304 HE2 LYS 682 2HE LYS 682 -29.201 -7.358 -11.017 305 HE3 LYS 682 1HE LYS 682 -27.914 -7.541 -9.826 306 HZ1 LYS 682 3HZ LYS 682 -30.023 -9.223 -9.085 307 HZ2 LYS 682 1HZ LYS 682 -28.469 -9.656 -9.614 308 HZ3 LYS 682 2HZ LYS 682 -29.732 -9.471 -10.738 309 H LEU 683 H LEU 683 -26.635 -1.456 -9.047 310 HA LEU 683 HA LEU 683 -28.376 -0.463 -6.896 311 HB2 LEU 683 2HB LEU 683 -25.570 -1.164 -6.956 312 HB3 LEU 683 1HB LEU 683 -25.783 0.507 -6.470 313 HG LEU 683 HG LEU 683 -27.664 -0.857 -4.954 314 HD11 LEU 683 1HD1 LEU 683 -25.089 -2.413 -4.872 315 HD12 LEU 683 2HD1 LEU 683 -26.560 -2.712 -3.948 316 HD13 LEU 683 3HD1 LEU 683 -26.547 -2.969 -5.694 317 HD21 LEU 683 3HD2 LEU 683 -24.961 0.309 -4.460 318 HD22 LEU 683 1HD2 LEU 683 -26.546 0.879 -3.934 319 HD23 LEU 683 2HD2 LEU 683 -25.806 -0.521 -3.156 320 H GLY 684 H GLY 684 -29.276 0.640 -8.928 321 HA2 GLY 684 1HA GLY 684 -27.809 3.170 -9.368 322 HA3 GLY 684 2HA GLY 684 -28.881 2.436 -10.556 323 H GLY 685 H GLY 685 -30.956 1.695 -8.768 324 HA2 GLY 685 1HA GLY 685 -32.382 2.790 -7.118 325 HA3 GLY 685 2HA GLY 685 -31.887 4.330 -7.806 326 H GLY 901 H GLY 901 -33.423 5.259 -8.947 327 HA2 GLY 901 1HA GLY 901 -34.947 5.510 -10.678 328 HA3 GLY 901 2HA GLY 901 -34.820 3.787 -11.001 329 H GLY 902 H GLY 902 -35.551 5.070 -7.832 330 HA2 GLY 902 1HA GLY 902 -37.557 5.186 -6.668 331 HA3 GLY 902 2HA GLY 902 -38.408 4.757 -8.146 332 H SER 903 H SER 903 -38.145 2.464 -8.857 333 HA SER 903 HA SER 903 -37.898 0.656 -6.546 334 HB2 SER 903 2HB SER 903 -39.702 0.136 -8.912 335 HB3 SER 903 1HB SER 903 -39.703 -0.668 -7.343 336 HG SER 903 HG SER 903 -40.162 2.098 -7.450 337 H GLY 904 H GLY 904 -36.393 -0.872 -6.752 338 HA2 GLY 904 1HA GLY 904 -34.950 -1.068 -9.269 339 HA3 GLY 904 2HA GLY 904 -34.475 -1.773 -7.731 340 H GLY 905 H GLY 905 -37.642 -2.220 -9.179 341 HA2 GLY 905 1HA GLY 905 -38.538 -4.050 -10.298 342 HA3 GLY 905 2HA GLY 905 -36.952 -4.813 -10.268 343 H HIS 906 H HIS 906 -36.238 -5.724 -8.223 344 HA HIS 906 HA HIS 906 -38.514 -6.824 -6.720 345 HB2 HIS 906 2HB HIS 906 -35.817 -7.886 -7.453 346 HB3 HIS 906 1HB HIS 906 -36.566 -8.454 -5.964 347 HD1 HIS 906 1HD HIS 906 -36.888 -8.678 -9.699 348 HD2 HIS 906 2HD HIS 906 -38.823 -10.049 -6.283 349 HE1 HIS 906 1HE HIS 906 -38.493 -10.477 -10.465 350 H MET 907 H MET 907 -38.438 -6.892 -4.457 351 HA MET 907 HA MET 907 -37.128 -4.607 -3.309 352 HB2 MET 907 2HB MET 907 -39.328 -6.329 -2.630 353 HB3 MET 907 1HB MET 907 -38.242 -6.184 -1.255 354 HG2 MET 907 2HG MET 907 -40.030 -4.512 -1.221 355 HG3 MET 907 1HG MET 907 -38.427 -3.787 -1.299 356 HE1 MET 907 3HE MET 907 -41.053 -5.189 -4.088 357 HE2 MET 907 1HE MET 907 -41.822 -4.267 -2.796 358 HE3 MET 907 2HE MET 907 -41.746 -3.604 -4.429 359 H GLY 908 H GLY 908 -35.139 -4.596 -2.563 360 HA2 GLY 908 1HA GLY 908 -33.696 -5.591 -0.784 361 HA3 GLY 908 2HA GLY 908 -34.003 -7.137 -1.563 362 H SER 909 H SER 909 -31.486 -5.647 -1.048 363 HA SER 909 HA SER 909 -30.514 -4.820 -3.616 364 HB2 SER 909 2HB SER 909 -28.723 -5.523 -1.316 365 HB3 SER 909 1HB SER 909 -28.557 -4.227 -2.501 366 HG SER 909 HG SER 909 -30.379 -3.207 -1.500 367 H GLY 910 H GLY 910 -30.322 -6.326 -5.150 368 HA2 GLY 910 1HA GLY 910 -29.805 -9.078 -4.639 369 HA3 GLY 910 2HA GLY 910 -29.817 -8.297 -6.214 370 H GLY 911 H GLY 911 -27.989 -10.314 -5.151 371 HA2 GLY 911 1HA GLY 911 -25.734 -10.756 -5.380 372 HA3 GLY 911 2HA GLY 911 -25.506 -9.096 -5.918 373 H LEU 18 H LEU 18 -26.217 -10.987 -3.002 374 HA LEU 18 HA LEU 18 -25.429 -8.818 -1.275 375 HB2 LEU 18 2HB LEU 18 -26.607 -11.515 -0.936 376 HB3 LEU 18 1HB LEU 18 -25.687 -10.886 0.419 377 HG LEU 18 HG LEU 18 -27.958 -9.369 -0.860 378 HD11 LEU 18 1HD1 LEU 18 -28.473 -10.522 1.755 379 HD12 LEU 18 2HD1 LEU 18 -29.469 -10.523 0.299 380 HD13 LEU 18 3HD1 LEU 18 -28.217 -11.746 0.512 381 HD21 LEU 18 3HD2 LEU 18 -26.514 -7.930 0.362 382 HD22 LEU 18 1HD2 LEU 18 -27.920 -8.233 1.381 383 HD23 LEU 18 2HD2 LEU 18 -26.402 -9.072 1.703 384 H SER 19 H SER 19 -23.561 -10.627 -3.089 385 HA SER 19 HA SER 19 -21.544 -11.272 -1.095 386 HB2 SER 19 2HB SER 19 -20.573 -11.542 -3.778 387 HB3 SER 19 1HB SER 19 -20.949 -12.814 -2.616 388 HG SER 19 HG SER 19 -22.737 -13.217 -3.648 389 H TRP 20 H TRP 20 -22.388 -8.787 -3.320 390 HA TRP 20 HA TRP 20 -21.391 -6.895 -4.085 391 HB2 TRP 20 2HB TRP 20 -19.881 -6.729 -1.494 392 HB3 TRP 20 1HB TRP 20 -20.637 -5.437 -2.420 393 HD1 TRP 20 HD TRP 20 -23.579 -6.137 -2.573 394 HE1 TRP 20 1HE TRP 20 -25.051 -6.429 -0.482 395 HE3 TRP 20 3HE TRP 20 -19.917 -7.106 0.861 396 HZ2 TRP 20 2HZ TRP 20 -24.698 -6.999 2.270 397 HZ3 TRP 20 3HZ TRP 20 -20.567 -7.513 3.198 398 HH2 TRP 20 HH TRP 20 -22.907 -7.459 3.887 399 H LYS 21 H LYS 21 -18.599 -6.730 -2.289 400 HA LYS 21 HA LYS 21 -17.001 -8.030 -4.391 401 HB2 LYS 21 2HB LYS 21 -16.940 -5.329 -3.472 402 HB3 LYS 21 1HB LYS 21 -15.444 -6.108 -2.973 403 HG2 LYS 21 2HG LYS 21 -15.313 -4.982 -5.179 404 HG3 LYS 21 1HG LYS 21 -14.917 -6.700 -5.230 405 HD2 LYS 21 2HD LYS 21 -16.821 -7.246 -6.382 406 HD3 LYS 21 1HD LYS 21 -17.737 -5.886 -5.731 407 HE2 LYS 21 2HE LYS 21 -15.588 -4.839 -7.255 408 HE3 LYS 21 1HE LYS 21 -16.365 -6.094 -8.217 409 HZ1 LYS 21 3HZ LYS 21 -17.501 -3.585 -7.181 410 HZ2 LYS 21 1HZ LYS 21 -18.523 -4.898 -7.487 411 HZ3 LYS 21 2HZ LYS 21 -17.593 -4.243 -8.742 412 H ARG 22 H ARG 22 -14.936 -8.933 -3.607 413 HA ARG 22 HA ARG 22 -15.237 -9.849 -0.828 414 HB2 ARG 22 2HB ARG 22 -14.346 -11.599 -3.119 415 HB3 ARG 22 1HB ARG 22 -14.737 -12.095 -1.477 416 HG2 ARG 22 2HG ARG 22 -17.077 -11.043 -2.095 417 HG3 ARG 22 1HG ARG 22 -16.533 -11.412 -3.735 418 HD2 ARG 22 2HD ARG 22 -17.611 -13.356 -3.152 419 HD3 ARG 22 1HD ARG 22 -15.940 -13.726 -2.729 420 HE ARG 22 HE ARG 22 -16.667 -12.985 -0.391 421 HH11 ARG 22 2HH1 ARG 22 -18.797 -14.533 -2.715 422 HH12 ARG 22 1HH1 ARG 22 -19.761 -15.309 -1.490 423 HH21 ARG 22 2HH2 ARG 22 -17.943 -14.032 1.215 424 HH22 ARG 22 1HH2 ARG 22 -19.290 -15.020 0.714 425 H CYS 23 H CYS 23 -13.519 -9.340 0.339 426 HA CYS 23 HA CYS 23 -10.975 -8.857 -0.959 427 HB2 CYS 23 2HB CYS 23 -10.280 -8.239 1.420 428 HB3 CYS 23 1HB CYS 23 -11.490 -7.222 0.657 429 H ALA 24 H ALA 24 -9.024 -9.868 -0.244 430 HA ALA 24 HA ALA 24 -9.452 -12.681 0.400 431 HB1 ALA 24 1HB ALA 24 -7.022 -12.881 -0.220 432 HB2 ALA 24 2HB ALA 24 -8.086 -12.327 -1.512 433 HB3 ALA 24 3HB ALA 24 -7.068 -11.171 -0.652 434 H GLY 25 H GLY 25 -9.240 -10.103 2.237 435 HA2 GLY 25 1HA GLY 25 -7.116 -11.096 4.008 436 HA3 GLY 25 2HA GLY 25 -7.744 -9.459 3.999 437 H CYS 26 H CYS 26 -9.936 -9.138 4.823 438 HA CYS 26 HA CYS 26 -10.107 -10.596 7.288 439 HB2 CYS 26 2HB CYS 26 -11.523 -8.862 8.096 440 HB3 CYS 26 1HB CYS 26 -10.226 -8.111 7.190 441 H GLY 27 H GLY 27 -13.126 -9.419 6.091 442 HA2 GLY 27 1HA GLY 27 -14.272 -11.974 6.803 443 HA3 GLY 27 2HA GLY 27 -15.153 -10.528 6.343 444 H GLY 28 H GLY 28 -13.227 -10.564 3.875 445 HA2 GLY 28 1HA GLY 28 -13.246 -11.487 1.753 446 HA3 GLY 28 2HA GLY 28 -14.178 -12.838 2.386 447 H LYS 29 H LYS 29 -15.488 -9.881 3.225 448 HA LYS 29 HA LYS 29 -17.123 -9.624 0.830 449 HB2 LYS 29 2HB LYS 29 -18.065 -10.597 3.430 450 HB3 LYS 29 1HB LYS 29 -18.968 -9.202 2.851 451 HG2 LYS 29 2HG LYS 29 -19.676 -10.325 0.918 452 HG3 LYS 29 1HG LYS 29 -18.474 -11.603 1.123 453 HD2 LYS 29 2HD LYS 29 -20.420 -12.633 1.841 454 HD3 LYS 29 1HD LYS 29 -19.718 -12.064 3.356 455 HE2 LYS 29 2HE LYS 29 -21.470 -10.746 3.762 456 HE3 LYS 29 1HE LYS 29 -21.392 -10.040 2.148 457 HZ1 LYS 29 3HZ LYS 29 -23.276 -11.830 3.149 458 HZ2 LYS 29 1HZ LYS 29 -22.404 -12.661 1.956 459 HZ3 LYS 29 2HZ LYS 29 -23.174 -11.198 1.578 460 H ILE 30 H ILE 30 -16.510 -7.631 0.281 461 HA ILE 30 HA ILE 30 -15.709 -5.715 2.264 462 HB ILE 30 HB ILE 30 -16.017 -5.439 -0.729 463 HG12 ILE 30 2HG1 ILE 30 -13.453 -5.502 0.845 464 HG13 ILE 30 1HG1 ILE 30 -14.229 -6.989 0.311 465 HG21 ILE 30 1HG2 ILE 30 -14.791 -3.354 -0.535 466 HG22 ILE 30 2HG2 ILE 30 -16.273 -3.276 0.415 467 HG23 ILE 30 3HG2 ILE 30 -14.722 -3.530 1.218 468 HD11 ILE 30 3HD1 ILE 30 -14.164 -5.955 -2.027 469 HD12 ILE 30 1HD1 ILE 30 -13.012 -4.811 -1.338 470 HD13 ILE 30 2HD1 ILE 30 -12.651 -6.538 -1.331 471 H ALA 31 H ALA 31 -17.256 -4.895 3.477 472 HA ALA 31 HA ALA 31 -19.568 -3.640 2.168 473 HB1 ALA 31 1HB ALA 31 -20.769 -4.120 3.999 474 HB2 ALA 31 2HB ALA 31 -19.432 -5.170 4.469 475 HB3 ALA 31 3HB ALA 31 -19.512 -3.518 5.079 476 H ASP 32 H ASP 32 -16.677 -2.833 2.337 477 HA ASP 32 HA ASP 32 -16.674 -0.433 3.943 478 HB2 ASP 32 2HB ASP 32 -14.695 -2.105 3.182 479 HB3 ASP 32 1HB ASP 32 -14.549 -0.880 1.928 480 H ARG 33 H ARG 33 -15.522 1.485 2.582 481 HA ARG 33 HA ARG 33 -17.600 2.299 0.750 482 HB2 ARG 33 2HB ARG 33 -15.626 3.605 2.405 483 HB3 ARG 33 1HB ARG 33 -15.587 4.251 0.772 484 HG2 ARG 33 2HG ARG 33 -18.273 4.144 1.320 485 HG3 ARG 33 1HG ARG 33 -17.569 4.598 2.871 486 HD2 ARG 33 2HD ARG 33 -16.735 6.580 2.067 487 HD3 ARG 33 1HD ARG 33 -16.632 5.987 0.409 488 HE ARG 33 HE ARG 33 -19.145 6.768 1.747 489 HH11 ARG 33 2HH1 ARG 33 -17.140 6.481 -1.101 490 HH12 ARG 33 1HH1 ARG 33 -18.319 7.177 -2.171 491 HH21 ARG 33 2HH2 ARG 33 -20.700 7.718 0.355 492 HH22 ARG 33 1HH2 ARG 33 -20.341 7.893 -1.331 493 H PHE 34 H PHE 34 -14.051 2.558 0.495 494 HA PHE 34 HA PHE 34 -14.360 2.309 -2.416 495 HB2 PHE 34 2HB PHE 34 -12.601 3.874 -0.653 496 HB3 PHE 34 1HB PHE 34 -11.789 3.146 -2.038 497 HD1 PHE 34 2HD PHE 34 -15.240 4.487 -1.729 498 HD2 PHE 34 1HD PHE 34 -11.401 4.879 -3.519 499 HE1 PHE 34 2HE PHE 34 -16.111 6.249 -3.200 500 HE2 PHE 34 1HE PHE 34 -12.266 6.640 -5.001 501 HZ PHE 34 HZ PHE 34 -14.627 7.315 -4.848 502 H LEU 35 H LEU 35 -12.894 1.037 -3.650 503 HA LEU 35 HA LEU 35 -11.820 -1.240 -2.140 504 HB2 LEU 35 2HB LEU 35 -11.997 -1.091 -5.133 505 HB3 LEU 35 1HB LEU 35 -11.896 -2.513 -4.121 506 HG LEU 35 HG LEU 35 -14.283 -0.739 -4.557 507 HD11 LEU 35 1HD1 LEU 35 -13.386 -3.382 -5.486 508 HD12 LEU 35 2HD1 LEU 35 -15.076 -3.278 -4.988 509 HD13 LEU 35 3HD1 LEU 35 -14.461 -2.211 -6.250 510 HD21 LEU 35 3HD2 LEU 35 -14.958 -1.240 -2.508 511 HD22 LEU 35 1HD2 LEU 35 -15.061 -2.923 -3.030 512 HD23 LEU 35 2HD2 LEU 35 -13.593 -2.328 -2.256 513 H LEU 36 H LEU 36 -9.725 -2.083 -2.717 514 HA LEU 36 HA LEU 36 -7.948 -0.168 -4.047 515 HB2 LEU 36 2HB LEU 36 -7.553 -1.395 -1.325 516 HB3 LEU 36 1HB LEU 36 -6.235 -0.708 -2.255 517 HG LEU 36 HG LEU 36 -8.636 0.981 -1.729 518 HD11 LEU 36 1HD1 LEU 36 -6.971 1.651 0.317 519 HD12 LEU 36 2HD1 LEU 36 -8.430 0.674 0.475 520 HD13 LEU 36 3HD1 LEU 36 -6.854 -0.108 0.316 521 HD21 LEU 36 3HD2 LEU 36 -7.317 2.559 -2.575 522 HD22 LEU 36 1HD2 LEU 36 -6.067 2.209 -1.379 523 HD23 LEU 36 2HD2 LEU 36 -6.106 1.320 -2.901 524 H TYR 37 H TYR 37 -6.537 -1.085 -5.386 525 HA TYR 37 HA TYR 37 -6.314 -4.012 -5.462 526 HB2 TYR 37 2HB TYR 37 -6.062 -1.815 -7.402 527 HB3 TYR 37 1HB TYR 37 -4.801 -3.033 -7.545 528 HD1 TYR 37 2HD TYR 37 -6.071 -5.536 -7.085 529 HD2 TYR 37 1HD TYR 37 -7.632 -2.100 -9.039 530 HE1 TYR 37 2HE TYR 37 -7.594 -6.971 -8.367 531 HE2 TYR 37 1HE TYR 37 -9.161 -3.518 -10.334 532 HH TYR 37 HH TYR 37 -10.158 -5.664 -10.300 533 H ALA 38 H ALA 38 -4.393 -5.055 -5.142 534 HA ALA 38 HA ALA 38 -2.048 -3.392 -4.531 535 HB1 ALA 38 1HB ALA 38 -1.539 -4.571 -2.617 536 HB2 ALA 38 2HB ALA 38 -3.301 -4.570 -2.553 537 HB3 ALA 38 3HB ALA 38 -2.441 -5.998 -3.129 538 H MET 39 H MET 39 -2.504 -6.900 -4.625 539 HA MET 39 HA MET 39 -0.409 -7.047 -6.663 540 HB2 MET 39 2HB MET 39 -1.566 -9.424 -5.236 541 HB3 MET 39 1HB MET 39 0.021 -9.249 -5.967 542 HG2 MET 39 2HG MET 39 0.596 -9.096 -3.780 543 HG3 MET 39 1HG MET 39 0.280 -7.392 -4.110 544 HE1 MET 39 3HE MET 39 0.058 -8.611 -0.897 545 HE2 MET 39 1HE MET 39 0.261 -7.045 -1.685 546 HE3 MET 39 2HE MET 39 -1.120 -7.327 -0.625 547 H ASP 40 H ASP 40 -3.670 -8.277 -5.981 548 HA ASP 40 HA ASP 40 -4.405 -8.334 -8.725 549 HB2 ASP 40 2HB ASP 40 -3.756 -10.382 -9.344 550 HB3 ASP 40 1HB ASP 40 -2.998 -10.614 -7.775 551 H SER 41 H SER 41 -5.043 -8.865 -5.388 552 HA SER 41 HA SER 41 -7.736 -9.839 -5.865 553 HB2 SER 41 2HB SER 41 -7.243 -9.425 -3.104 554 HB3 SER 41 1HB SER 41 -7.287 -10.957 -3.979 555 HG SER 41 HG SER 41 -5.203 -11.074 -3.810 556 H TYR 42 H TYR 42 -9.531 -8.879 -4.661 557 HA TYR 42 HA TYR 42 -9.519 -5.989 -4.750 558 HB2 TYR 42 2HB TYR 42 -11.614 -8.064 -4.122 559 HB3 TYR 42 1HB TYR 42 -11.914 -6.349 -3.876 560 HD1 TYR 42 2HD TYR 42 -10.648 -5.145 -6.235 561 HD2 TYR 42 1HD TYR 42 -12.958 -8.699 -5.887 562 HE1 TYR 42 2HE TYR 42 -11.333 -4.924 -8.585 563 HE2 TYR 42 1HE TYR 42 -13.647 -8.491 -8.236 564 HH TYR 42 HH TYR 42 -12.666 -5.698 -10.200 565 H TRP 43 H TRP 43 -9.067 -4.722 -3.042 566 HA TRP 43 HA TRP 43 -9.476 -5.844 -0.353 567 HB2 TRP 43 2HB TRP 43 -7.318 -3.834 -0.969 568 HB3 TRP 43 1HB TRP 43 -7.517 -4.806 0.482 569 HD1 TRP 43 HD TRP 43 -6.280 -5.056 -3.137 570 HE1 TRP 43 1HE TRP 43 -4.764 -7.121 -3.333 571 HE3 TRP 43 3HE TRP 43 -6.997 -7.060 1.516 572 HZ2 TRP 43 2HZ TRP 43 -3.957 -9.290 -1.744 573 HZ3 TRP 43 3HZ TRP 43 -5.802 -9.135 2.097 574 HH2 TRP 43 HH TRP 43 -4.318 -10.225 0.491 575 H HIS 44 H HIS 44 -9.275 -3.900 1.250 576 HA HIS 44 HA HIS 44 -10.368 -1.411 0.233 577 HB2 HIS 44 2HB HIS 44 -12.095 -1.363 2.085 578 HB3 HIS 44 1HB HIS 44 -12.431 -2.516 0.801 579 HD1 HIS 44 1HD HIS 44 -12.760 -2.341 4.293 580 HD2 HIS 44 2HD HIS 44 -11.140 -5.179 1.698 581 HE1 HIS 44 1HE HIS 44 -12.662 -4.551 5.575 582 H SER 45 H SER 45 -10.594 0.066 2.423 583 HA SER 45 HA SER 45 -7.928 0.560 3.069 584 HB2 SER 45 2HB SER 45 -9.689 1.669 5.058 585 HB3 SER 45 1HB SER 45 -8.813 2.486 3.761 586 HG SER 45 HG SER 45 -11.395 2.132 3.937 587 H ARG 46 H ARG 46 -10.301 -1.393 4.754 588 HA ARG 46 HA ARG 46 -8.712 -1.540 7.168 589 HB2 ARG 46 2HB ARG 46 -11.355 -2.611 6.287 590 HB3 ARG 46 1HB ARG 46 -10.534 -3.415 7.618 591 HG2 ARG 46 2HG ARG 46 -10.650 -0.497 7.841 592 HG3 ARG 46 1HG ARG 46 -12.215 -1.309 7.884 593 HD2 ARG 46 2HD ARG 46 -11.615 -2.592 9.763 594 HD3 ARG 46 1HD ARG 46 -9.902 -2.216 9.573 595 HE ARG 46 HE ARG 46 -10.802 0.202 10.043 596 HH11 ARG 46 2HH1 ARG 46 -11.723 -2.801 11.599 597 HH12 ARG 46 1HH1 ARG 46 -12.182 -2.032 13.092 598 HH21 ARG 46 2HH2 ARG 46 -11.411 1.214 11.997 599 HH22 ARG 46 1HH2 ARG 46 -12.014 0.255 13.315 600 H CYS 47 H CYS 47 -8.856 -3.263 4.200 601 HA CYS 47 HA CYS 47 -7.602 -5.618 5.419 602 HB2 CYS 47 2HB CYS 47 -9.356 -5.241 3.160 603 HB3 CYS 47 1HB CYS 47 -7.887 -6.076 2.663 604 H LEU 48 H LEU 48 -7.047 -3.137 2.954 605 HA LEU 48 HA LEU 48 -4.447 -4.180 2.309 606 HB2 LEU 48 2HB LEU 48 -6.257 -2.268 1.190 607 HB3 LEU 48 1HB LEU 48 -4.693 -1.510 1.405 608 HG LEU 48 HG LEU 48 -5.523 -3.632 -0.472 609 HD11 LEU 48 1HD1 LEU 48 -4.448 -1.064 -0.574 610 HD12 LEU 48 2HD1 LEU 48 -3.160 -2.136 -1.124 611 HD13 LEU 48 3HD1 LEU 48 -4.731 -2.165 -1.923 612 HD21 LEU 48 3HD2 LEU 48 -3.387 -4.680 -0.626 613 HD22 LEU 48 1HD2 LEU 48 -2.701 -3.594 0.585 614 HD23 LEU 48 2HD2 LEU 48 -3.911 -4.789 1.053 615 H LYS 49 H LYS 49 -4.017 -4.110 4.699 616 HA LYS 49 HA LYS 49 -2.590 -1.613 5.319 617 HB2 LYS 49 2HB LYS 49 -2.919 -2.642 7.780 618 HB3 LYS 49 1HB LYS 49 -4.065 -1.517 7.066 619 HG2 LYS 49 2HG LYS 49 -5.521 -3.104 7.753 620 HG3 LYS 49 1HG LYS 49 -5.133 -3.777 6.169 621 HD2 LYS 49 2HD LYS 49 -3.336 -5.129 7.302 622 HD3 LYS 49 1HD LYS 49 -4.001 -4.586 8.844 623 HE2 LYS 49 2HE LYS 49 -5.214 -6.479 8.670 624 HE3 LYS 49 1HE LYS 49 -6.248 -5.469 7.660 625 HZ1 LYS 49 3HZ LYS 49 -4.112 -7.311 6.709 626 HZ2 LYS 49 1HZ LYS 49 -5.038 -6.296 5.712 627 HZ3 LYS 49 2HZ LYS 49 -5.791 -7.551 6.567 628 H CYS 50 H CYS 50 -0.712 -1.992 6.752 629 HA CYS 50 HA CYS 50 0.969 -4.005 5.770 630 HB2 CYS 50 2HB CYS 50 1.779 -1.905 6.772 631 HB3 CYS 50 1HB CYS 50 1.214 -2.448 8.349 632 H SER 51 H SER 51 1.517 -5.966 6.485 633 HA SER 51 HA SER 51 -0.203 -7.273 8.390 634 HB2 SER 51 2HB SER 51 2.231 -8.636 7.363 635 HB3 SER 51 1HB SER 51 0.578 -9.234 7.492 636 HG SER 51 HG SER 51 1.583 -7.419 5.542 637 H SER 52 H SER 52 2.528 -5.384 8.644 638 HA SER 52 HA SER 52 3.461 -6.793 11.055 639 HB2 SER 52 2HB SER 52 5.384 -4.879 10.171 640 HB3 SER 52 1HB SER 52 5.524 -6.636 10.217 641 HG SER 52 HG SER 52 4.350 -5.132 8.105 642 H CYS 53 H CYS 53 3.113 -3.477 9.713 643 HA CYS 53 HA CYS 53 3.100 -2.428 12.444 644 HB2 CYS 53 2HB CYS 53 2.720 -0.722 10.003 645 HB3 CYS 53 1HB CYS 53 3.433 -0.292 11.551 646 H GLN 54 H GLN 54 0.959 -3.266 9.916 647 HA GLN 54 HA GLN 54 -1.281 -3.294 9.694 648 HB2 GLN 54 2HB GLN 54 -0.889 -3.208 12.549 649 HB3 GLN 54 1HB GLN 54 -2.344 -2.323 12.102 650 HG2 GLN 54 2HG GLN 54 -2.074 -4.888 10.736 651 HG3 GLN 54 1HG GLN 54 -2.177 -5.024 12.491 652 HE21 GLN 54 1HE2 GLN 54 -3.674 -2.684 10.303 653 HE22 GLN 54 2HE2 GLN 54 -5.306 -3.072 10.721 654 H ALA 55 H ALA 55 0.299 -0.911 9.136 655 HA ALA 55 HA ALA 55 -1.571 1.271 9.571 656 HB1 ALA 55 1HB ALA 55 0.183 2.596 9.169 657 HB2 ALA 55 2HB ALA 55 1.177 1.141 9.111 658 HB3 ALA 55 3HB ALA 55 0.505 1.811 7.624 659 H GLN 56 H GLN 56 -2.873 2.178 7.974 660 HA GLN 56 HA GLN 56 -3.727 0.355 5.939 661 HB2 GLN 56 2HB GLN 56 -4.546 3.240 6.247 662 HB3 GLN 56 1HB GLN 56 -5.447 1.944 5.484 663 HG2 GLN 56 2HG GLN 56 -5.475 0.851 7.797 664 HG3 GLN 56 1HG GLN 56 -4.984 2.436 8.396 665 HE21 GLN 56 1HE2 GLN 56 -6.430 4.032 6.616 666 HE22 GLN 56 2HE2 GLN 56 -8.121 3.845 6.945 667 H LEU 57 H LEU 57 -1.817 0.154 4.680 668 HA LEU 57 HA LEU 57 -0.448 2.329 3.530 669 HB2 LEU 57 2HB LEU 57 -0.583 -0.575 2.725 670 HB3 LEU 57 1HB LEU 57 0.515 0.588 2.002 671 HG LEU 57 HG LEU 57 0.488 -0.136 4.932 672 HD11 LEU 57 1HD1 LEU 57 2.853 -0.933 3.553 673 HD12 LEU 57 2HD1 LEU 57 1.710 -1.919 4.470 674 HD13 LEU 57 3HD1 LEU 57 1.445 -1.632 2.750 675 HD21 LEU 57 3HD2 LEU 57 1.964 1.812 3.279 676 HD22 LEU 57 1HD2 LEU 57 1.544 1.859 4.991 677 HD23 LEU 57 2HD2 LEU 57 2.917 0.896 4.446 678 H GLY 58 H GLY 58 -3.388 0.776 2.668 679 HA2 GLY 58 1HA GLY 58 -3.370 1.688 -0.073 680 HA3 GLY 58 2HA GLY 58 -4.709 0.926 0.772 681 H ASP 59 H ASP 59 -4.230 3.025 2.979 682 HA ASP 59 HA ASP 59 -5.956 5.013 1.725 683 HB2 ASP 59 2HB ASP 59 -7.205 4.659 3.556 684 HB3 ASP 59 1HB ASP 59 -5.920 3.741 4.318 685 H ILE 60 H ILE 60 -2.905 4.550 2.895 686 HA ILE 60 HA ILE 60 -2.301 7.422 2.913 687 HB ILE 60 HB ILE 60 -0.414 5.168 3.641 688 HG12 ILE 60 2HG1 ILE 60 -2.042 6.862 5.547 689 HG13 ILE 60 1HG1 ILE 60 -2.460 5.214 5.095 690 HG21 ILE 60 1HG2 ILE 60 -0.300 8.134 3.724 691 HG22 ILE 60 2HG2 ILE 60 0.491 7.241 5.024 692 HG23 ILE 60 3HG2 ILE 60 0.959 6.960 3.347 693 HD11 ILE 60 3HD1 ILE 60 -1.196 5.627 7.298 694 HD12 ILE 60 1HD1 ILE 60 -0.674 4.308 6.248 695 HD13 ILE 60 2HD1 ILE 60 0.220 5.829 6.264 696 H GLY 61 H GLY 61 -0.832 8.273 1.423 697 HA2 GLY 61 1HA GLY 61 -0.758 6.948 -1.109 698 HA3 GLY 61 2HA GLY 61 -0.008 8.487 -0.722 699 H THR 62 H THR 62 0.470 5.087 0.241 700 HA THR 62 HA THR 62 3.365 5.496 0.013 701 HB THR 62 HB THR 62 2.133 3.026 1.161 702 HG1 THR 62 1HG THR 62 1.105 4.330 2.504 703 HG21 THR 62 3HG2 THR 62 4.627 3.375 0.791 704 HG22 THR 62 1HG2 THR 62 4.129 2.882 2.408 705 HG23 THR 62 2HG2 THR 62 4.545 4.565 2.090 706 H SER 63 H SER 63 4.564 4.438 -1.471 707 HA SER 63 HA SER 63 3.266 2.537 -3.251 708 HB2 SER 63 2HB SER 63 6.094 2.858 -3.736 709 HB3 SER 63 1HB SER 63 4.737 3.308 -4.767 710 HG SER 63 HG SER 63 4.567 5.251 -3.470 711 H SER 64 H SER 64 2.943 0.929 -1.612 712 HA SER 64 HA SER 64 5.091 -0.127 -0.081 713 HB2 SER 64 2HB SER 64 2.985 -2.023 -0.271 714 HB3 SER 64 1HB SER 64 3.320 -0.904 1.053 715 HG SER 64 HG SER 64 1.219 -0.875 -0.409 716 H TYR 65 H TYR 65 5.868 -2.333 -0.178 717 HA TYR 65 HA TYR 65 6.001 -3.353 -2.938 718 HB2 TYR 65 2HB TYR 65 8.200 -3.842 -0.956 719 HB3 TYR 65 1HB TYR 65 8.271 -3.846 -2.714 720 HD1 TYR 65 2HD TYR 65 8.131 -1.621 -3.926 721 HD2 TYR 65 1HD TYR 65 8.737 -1.919 0.272 722 HE1 TYR 65 2HE TYR 65 8.977 0.685 -3.892 723 HE2 TYR 65 1HE TYR 65 9.591 0.387 0.319 724 HH TYR 65 HH TYR 65 10.726 1.975 -2.082 725 H THR 66 H THR 66 6.526 -5.697 -3.042 726 HA THR 66 HA THR 66 5.843 -7.243 -0.698 727 HB THR 66 HB THR 66 3.663 -6.580 -1.853 728 HG1 THR 66 1HG THR 66 3.557 -8.231 -0.414 729 HG21 THR 66 3HG2 THR 66 4.932 -7.488 -4.126 730 HG22 THR 66 1HG2 THR 66 3.198 -7.209 -3.954 731 HG23 THR 66 2HG2 THR 66 3.859 -8.825 -3.707 732 H LYS 67 H LYS 67 5.868 -9.598 -1.211 733 HA LYS 67 HA LYS 67 7.559 -10.313 -3.483 734 HB2 LYS 67 2HB LYS 67 8.590 -10.006 -0.919 735 HB3 LYS 67 1HB LYS 67 8.328 -11.740 -1.057 736 HG2 LYS 67 2HG LYS 67 9.853 -11.966 -2.777 737 HG3 LYS 67 1HG LYS 67 9.741 -10.267 -3.239 738 HD2 LYS 67 2HD LYS 67 11.094 -9.577 -1.471 739 HD3 LYS 67 1HD LYS 67 10.843 -11.070 -0.569 740 HE2 LYS 67 2HE LYS 67 12.799 -11.751 -1.382 741 HE3 LYS 67 1HE LYS 67 11.996 -11.907 -2.945 742 HZ1 LYS 67 3HZ LYS 67 13.010 -9.265 -2.173 743 HZ2 LYS 67 1HZ LYS 67 12.909 -9.985 -3.709 744 HZ3 LYS 67 2HZ LYS 67 14.134 -10.443 -2.636 745 H SER 68 H SER 68 6.322 -11.872 -0.537 746 HA SER 68 HA SER 68 5.201 -14.024 -2.146 747 HB2 SER 68 2HB SER 68 4.914 -14.062 0.798 748 HB3 SER 68 1HB SER 68 5.473 -15.327 -0.298 749 HG SER 68 HG SER 68 7.485 -14.535 -0.237 750 H GLY 69 H GLY 69 4.007 -11.266 -2.003 751 HA2 GLY 69 1HA GLY 69 1.803 -10.559 -2.222 752 HA3 GLY 69 2HA GLY 69 1.277 -12.137 -1.649 753 H MET 70 H MET 70 3.600 -10.643 0.325 754 HA MET 70 HA MET 70 1.591 -10.181 2.380 755 HB2 MET 70 2HB MET 70 4.474 -10.724 2.311 756 HB3 MET 70 1HB MET 70 4.022 -9.504 3.496 757 HG2 MET 70 2HG MET 70 2.300 -11.147 4.342 758 HG3 MET 70 1HG MET 70 3.079 -12.353 3.319 759 HE1 MET 70 3HE MET 70 4.617 -13.930 4.222 760 HE2 MET 70 1HE MET 70 5.235 -13.885 5.874 761 HE3 MET 70 2HE MET 70 3.495 -13.891 5.583 762 H ILE 71 H ILE 71 0.969 -8.207 3.089 763 HA ILE 71 HA ILE 71 1.881 -5.882 1.603 764 HB ILE 71 HB ILE 71 -0.034 -5.572 3.858 765 HG12 ILE 71 2HG1 ILE 71 -1.756 -6.224 1.849 766 HG13 ILE 71 1HG1 ILE 71 -0.465 -7.387 1.571 767 HG21 ILE 71 1HG2 ILE 71 -0.997 -4.428 1.497 768 HG22 ILE 71 2HG2 ILE 71 -0.203 -3.605 2.841 769 HG23 ILE 71 3HG2 ILE 71 0.749 -4.179 1.470 770 HD11 ILE 71 3HD1 ILE 71 -2.439 -7.236 3.734 771 HD12 ILE 71 1HD1 ILE 71 -1.615 -8.631 3.036 772 HD13 ILE 71 2HD1 ILE 71 -0.795 -7.633 4.242 773 H LEU 72 H LEU 72 3.603 -4.797 2.275 774 HA LEU 72 HA LEU 72 3.984 -4.312 5.132 775 HB2 LEU 72 2HB LEU 72 5.697 -5.953 3.386 776 HB3 LEU 72 1HB LEU 72 6.558 -4.746 4.322 777 HG LEU 72 HG LEU 72 5.169 -5.779 6.319 778 HD11 LEU 72 1HD1 LEU 72 5.492 -8.230 4.634 779 HD12 LEU 72 2HD1 LEU 72 4.596 -8.020 6.140 780 HD13 LEU 72 3HD1 LEU 72 3.985 -7.313 4.642 781 HD21 LEU 72 3HD2 LEU 72 7.306 -7.623 5.583 782 HD22 LEU 72 1HD2 LEU 72 7.757 -5.922 5.458 783 HD23 LEU 72 2HD2 LEU 72 7.154 -6.563 6.986 784 H CYS 73 H CYS 73 5.546 -2.547 5.538 785 HA CYS 73 HA CYS 73 5.222 -0.500 3.517 786 HB2 CYS 73 2HB CYS 73 6.625 -0.092 6.143 787 HB3 CYS 73 1HB CYS 73 5.775 1.087 5.155 788 H ARG 74 H ARG 74 7.419 1.096 3.967 789 HA ARG 74 HA ARG 74 9.127 -0.018 2.012 790 HB2 ARG 74 2HB ARG 74 9.900 2.347 3.683 791 HB3 ARG 74 1HB ARG 74 10.221 2.041 1.981 792 HG2 ARG 74 2HG ARG 74 7.376 2.265 2.690 793 HG3 ARG 74 1HG ARG 74 8.333 3.733 2.905 794 HD2 ARG 74 2HD ARG 74 9.234 3.051 0.512 795 HD3 ARG 74 1HD ARG 74 7.671 2.241 0.424 796 HE ARG 74 HE ARG 74 7.123 4.788 1.310 797 HH11 ARG 74 2HH1 ARG 74 8.687 3.365 -1.481 798 HH12 ARG 74 1HH1 ARG 74 8.219 4.645 -2.564 799 HH21 ARG 74 2HH2 ARG 74 6.492 6.484 -0.110 800 HH22 ARG 74 1HH2 ARG 74 6.991 6.433 -1.781 801 H ASN 75 H ASN 75 9.756 0.793 5.442 802 HA ASN 75 HA ASN 75 12.453 -0.181 5.231 803 HB2 ASN 75 2HB ASN 75 12.747 1.194 6.965 804 HB3 ASN 75 1HB ASN 75 11.021 1.515 6.988 805 HD21 ASN 75 1HD2 ASN 75 9.741 0.548 8.519 806 HD22 ASN 75 2HD2 ASN 75 10.380 -0.328 9.871 807 H ASP 76 H ASP 76 9.468 -1.340 6.731 808 HA ASP 76 HA ASP 76 10.710 -3.487 8.103 809 HB2 ASP 76 2HB ASP 76 8.131 -4.319 7.948 810 HB3 ASP 76 1HB ASP 76 8.732 -3.181 9.145 811 H TYR 77 H TYR 77 9.249 -3.204 4.907 812 HA TYR 77 HA TYR 77 9.183 -5.982 4.369 813 HB2 TYR 77 2HB TYR 77 7.880 -4.698 2.906 814 HB3 TYR 77 1HB TYR 77 9.177 -3.542 2.615 815 HD1 TYR 77 2HD TYR 77 8.377 -7.158 2.106 816 HD2 TYR 77 1HD TYR 77 10.375 -3.689 0.652 817 HE1 TYR 77 2HE TYR 77 9.033 -8.387 0.079 818 HE2 TYR 77 1HE TYR 77 11.043 -4.911 -1.373 819 HH TYR 77 HH TYR 77 11.410 -7.623 -1.820 820 H ILE 78 H ILE 78 11.623 -3.483 3.775 821 HA ILE 78 HA ILE 78 13.450 -5.089 2.367 822 HB ILE 78 HB ILE 78 13.899 -2.644 4.085 823 HG12 ILE 78 2HG1 ILE 78 12.576 -2.194 2.122 824 HG13 ILE 78 1HG1 ILE 78 14.192 -1.548 1.864 825 HG21 ILE 78 1HG2 ILE 78 16.042 -3.374 4.116 826 HG22 ILE 78 2HG2 ILE 78 15.838 -4.382 2.683 827 HG23 ILE 78 3HG2 ILE 78 16.058 -2.640 2.511 828 HD11 ILE 78 3HD1 ILE 78 13.172 -4.160 0.773 829 HD12 ILE 78 1HD1 ILE 78 13.296 -2.648 -0.126 830 HD13 ILE 78 2HD1 ILE 78 14.753 -3.442 0.467 831 H ARG 79 H ARG 79 13.019 -4.467 5.813 832 HA ARG 79 HA ARG 79 15.277 -5.917 6.701 833 HB2 ARG 79 2HB ARG 79 14.263 -4.378 8.203 834 HB3 ARG 79 1HB ARG 79 12.685 -5.133 8.027 835 HG2 ARG 79 2HG ARG 79 13.127 -6.234 9.897 836 HG3 ARG 79 1HG ARG 79 14.304 -7.169 8.976 837 HD2 ARG 79 2HD ARG 79 15.985 -5.372 9.513 838 HD3 ARG 79 1HD ARG 79 14.793 -4.697 10.623 839 HE ARG 79 HE ARG 79 15.494 -7.504 10.978 840 HH11 ARG 79 2HH1 ARG 79 15.920 -4.179 12.007 841 HH12 ARG 79 1HH1 ARG 79 16.561 -4.607 13.558 842 HH21 ARG 79 2HH2 ARG 79 16.356 -8.075 13.023 843 HH22 ARG 79 1HH2 ARG 79 16.802 -6.818 14.146 844 H LEU 80 H LEU 80 11.876 -6.832 6.274 845 HA LEU 80 HA LEU 80 12.214 -9.457 7.323 846 HB2 LEU 80 2HB LEU 80 10.091 -7.793 6.831 847 HB3 LEU 80 1HB LEU 80 9.906 -9.003 5.572 848 HG LEU 80 HG LEU 80 10.407 -10.057 8.287 849 HD11 LEU 80 1HD1 LEU 80 8.852 -8.819 9.289 850 HD12 LEU 80 2HD1 LEU 80 8.280 -8.152 7.761 851 HD13 LEU 80 3HD1 LEU 80 7.680 -9.713 8.322 852 HD21 LEU 80 3HD2 LEU 80 8.441 -11.502 7.470 853 HD22 LEU 80 1HD2 LEU 80 8.714 -10.722 5.912 854 HD23 LEU 80 2HD2 LEU 80 10.000 -11.667 6.659 855 H PHE 81 H PHE 81 11.548 -8.287 4.013 856 HA PHE 81 HA PHE 81 12.394 -10.927 3.017 857 HB2 PHE 81 2HB PHE 81 10.607 -8.827 1.787 858 HB3 PHE 81 1HB PHE 81 11.157 -10.266 0.938 859 HD1 PHE 81 1HD PHE 81 10.427 -12.507 1.722 860 HD2 PHE 81 2HD PHE 81 8.818 -8.905 3.307 861 HE1 PHE 81 1HE PHE 81 8.501 -13.763 2.601 862 HE2 PHE 81 2HE PHE 81 6.889 -10.152 4.193 863 HZ PHE 81 HZ PHE 81 6.730 -12.590 3.841 864 H GLY 82 H GLY 82 12.396 -7.535 1.909 865 HA2 GLY 82 1HA GLY 82 14.004 -6.337 0.774 866 HA3 GLY 82 2HA GLY 82 15.154 -7.613 1.156 Start of MODEL 6 1 H SER 641 1H SER 641 21.514 21.780 -22.681 2 HA SER 641 HA SER 641 21.717 22.911 -20.205 3 HB2 SER 641 2HB SER 641 20.839 20.158 -20.121 4 HB3 SER 641 1HB SER 641 19.880 21.636 -20.001 5 HG SER 641 HG SER 641 19.333 20.293 -21.835 6 H LEU 642 H LEU 642 22.588 22.280 -18.233 7 HA LEU 642 HA LEU 642 24.790 20.322 -18.410 8 HB2 LEU 642 2HB LEU 642 24.625 22.995 -17.066 9 HB3 LEU 642 1HB LEU 642 25.711 21.768 -16.440 10 HG LEU 642 HG LEU 642 25.972 22.177 -19.326 11 HD11 LEU 642 1HD1 LEU 642 26.424 24.361 -19.449 12 HD12 LEU 642 2HD1 LEU 642 25.514 24.491 -17.943 13 HD13 LEU 642 3HD1 LEU 642 27.273 24.364 -17.902 14 HD21 LEU 642 3HD2 LEU 642 27.453 20.938 -17.556 15 HD22 LEU 642 1HD2 LEU 642 28.198 21.806 -18.900 16 HD23 LEU 642 2HD2 LEU 642 28.129 22.548 -17.303 17 H GLN 643 H GLN 643 21.934 21.310 -16.792 18 HA GLN 643 HA GLN 643 22.404 19.254 -14.736 19 HB2 GLN 643 2HB GLN 643 22.165 21.459 -13.735 20 HB3 GLN 643 1HB GLN 643 20.660 21.721 -14.603 21 HG2 GLN 643 2HG GLN 643 20.334 21.148 -12.229 22 HG3 GLN 643 1HG GLN 643 19.559 20.013 -13.331 23 HE21 GLN 643 1HE2 GLN 643 19.513 18.296 -11.968 24 HE22 GLN 643 2HE2 GLN 643 20.932 17.479 -11.387 25 H ASN 644 H ASN 644 21.243 17.497 -14.943 26 HA ASN 644 HA ASN 644 18.469 17.533 -15.621 27 HB2 ASN 644 2HB ASN 644 18.467 16.389 -17.675 28 HB3 ASN 644 1HB ASN 644 19.702 17.624 -17.877 29 HD21 ASN 644 1HD2 ASN 644 19.001 14.490 -18.452 30 HD22 ASN 644 2HD2 ASN 644 20.604 13.842 -18.546 31 H ASN 645 H ASN 645 21.416 15.777 -15.019 32 HA ASN 645 HA ASN 645 21.917 14.062 -13.644 33 HB2 ASN 645 2HB ASN 645 20.341 15.241 -12.077 34 HB3 ASN 645 1HB ASN 645 19.070 14.162 -12.650 35 HD21 ASN 645 1HD2 ASN 645 22.486 13.575 -11.910 36 HD22 ASN 645 2HD2 ASN 645 22.197 12.349 -10.724 37 H GLN 646 H GLN 646 22.092 12.879 -15.629 38 HA GLN 646 HA GLN 646 20.672 10.405 -15.466 39 HB2 GLN 646 2HB GLN 646 19.267 12.152 -16.917 40 HB3 GLN 646 1HB GLN 646 20.386 11.631 -18.170 41 HG2 GLN 646 2HG GLN 646 18.808 10.070 -18.528 42 HG3 GLN 646 1HG GLN 646 19.645 9.241 -17.216 43 HE21 GLN 646 1HE2 GLN 646 17.323 11.920 -17.364 44 HE22 GLN 646 2HE2 GLN 646 16.187 11.220 -16.255 45 H ASP 647 H ASP 647 22.967 9.993 -15.066 46 HA ASP 647 HA ASP 647 24.918 10.229 -17.104 47 HB2 ASP 647 2HB ASP 647 25.268 9.751 -14.596 48 HB3 ASP 647 1HB ASP 647 24.923 8.072 -14.998 49 H VAL 648 H VAL 648 24.786 9.301 -19.032 50 HA VAL 648 HA VAL 648 23.168 6.878 -19.317 51 HB VAL 648 HB VAL 648 23.336 7.420 -21.797 52 HG11 VAL 648 1HG1 VAL 648 21.519 8.086 -19.964 53 HG12 VAL 648 2HG1 VAL 648 21.995 9.704 -20.478 54 HG13 VAL 648 3HG1 VAL 648 21.377 8.549 -21.659 55 HG21 VAL 648 3HG2 VAL 648 24.673 9.066 -22.462 56 HG22 VAL 648 1HG2 VAL 648 23.711 10.215 -21.532 57 HG23 VAL 648 2HG2 VAL 648 25.098 9.420 -20.789 58 H SER 649 H SER 649 26.258 7.370 -18.691 59 HA SER 649 HA SER 649 27.535 5.801 -20.711 60 HB2 SER 649 2HB SER 649 28.676 5.995 -17.958 61 HB3 SER 649 1HB SER 649 29.483 6.122 -19.521 62 HG SER 649 HG SER 649 28.118 8.068 -18.035 63 H PHE 650 H PHE 650 27.237 3.702 -20.999 64 HA PHE 650 HA PHE 650 25.763 2.147 -19.131 65 HB2 PHE 650 2HB PHE 650 27.173 1.517 -21.708 66 HB3 PHE 650 1HB PHE 650 26.439 0.247 -20.736 67 HD1 PHE 650 1HD PHE 650 23.956 0.549 -20.119 68 HD2 PHE 650 2HD PHE 650 25.892 2.684 -23.246 69 HE1 PHE 650 1HE PHE 650 21.768 1.043 -21.128 70 HE2 PHE 650 2HE PHE 650 23.708 3.182 -24.265 71 HZ PHE 650 HZ PHE 650 21.645 2.364 -23.204 72 H GLU 651 H GLU 651 29.023 2.942 -19.321 73 HA GLU 651 HA GLU 651 30.248 0.671 -18.203 74 HB2 GLU 651 2HB GLU 651 30.918 3.609 -18.038 75 HB3 GLU 651 1HB GLU 651 31.946 2.353 -17.363 76 HG2 GLU 651 2HG GLU 651 31.137 2.152 -20.215 77 HG3 GLU 651 1HG GLU 651 32.370 3.326 -19.761 78 H ASN 652 H ASN 652 28.308 3.218 -16.857 79 HA ASN 652 HA ASN 652 28.938 2.791 -14.116 80 HB2 ASN 652 2HB ASN 652 27.385 4.601 -15.583 81 HB3 ASN 652 1HB ASN 652 26.235 3.752 -14.559 82 HD21 ASN 652 1HD2 ASN 652 27.166 6.526 -14.496 83 HD22 ASN 652 2HD2 ASN 652 27.792 6.781 -12.905 84 H ILE 653 H ILE 653 26.879 1.235 -16.402 85 HA ILE 653 HA ILE 653 25.935 -0.577 -14.285 86 HB ILE 653 HB ILE 653 24.192 -0.622 -16.591 87 HG12 ILE 653 2HG1 ILE 653 23.487 1.836 -15.250 88 HG13 ILE 653 1HG1 ILE 653 25.092 1.972 -15.962 89 HG21 ILE 653 1HG2 ILE 653 24.012 -1.299 -14.021 90 HG22 ILE 653 2HG2 ILE 653 23.251 0.290 -13.941 91 HG23 ILE 653 3HG2 ILE 653 22.600 -0.946 -15.018 92 HD11 ILE 653 3HD1 ILE 653 22.858 2.532 -17.297 93 HD12 ILE 653 1HD1 ILE 653 24.306 1.897 -18.079 94 HD13 ILE 653 2HD1 ILE 653 22.977 0.812 -17.667 95 H GLN 654 H GLN 654 28.254 -1.154 -15.374 96 HA GLN 654 HA GLN 654 27.872 -2.923 -17.663 97 HB2 GLN 654 2HB GLN 654 30.181 -1.700 -16.272 98 HB3 GLN 654 1HB GLN 654 30.454 -3.301 -16.945 99 HG2 GLN 654 2HG GLN 654 29.119 -1.807 -18.918 100 HG3 GLN 654 1HG GLN 654 30.392 -0.777 -18.259 101 HE21 GLN 654 1HE2 GLN 654 32.385 -1.053 -18.985 102 HE22 GLN 654 2HE2 GLN 654 32.938 -2.409 -19.915 103 H TRP 655 H TRP 655 27.472 -3.096 -14.421 104 HA TRP 655 HA TRP 655 28.387 -5.857 -14.169 105 HB2 TRP 655 2HB TRP 655 27.894 -5.494 -11.703 106 HB3 TRP 655 1HB TRP 655 29.234 -4.570 -12.367 107 HD1 TRP 655 HD TRP 655 28.126 -1.933 -13.305 108 HE1 TRP 655 1HE TRP 655 26.821 -0.319 -11.788 109 HE3 TRP 655 3HE TRP 655 26.650 -5.245 -9.695 110 HZ2 TRP 655 2HZ TRP 655 25.373 -0.436 -9.363 111 HZ3 TRP 655 3HZ TRP 655 25.314 -4.405 -7.805 112 HH2 TRP 655 HH TRP 655 24.691 -2.047 -7.647 113 H SER 656 H SER 656 26.863 -7.161 -12.639 114 HA SER 656 HA SER 656 24.243 -7.065 -13.949 115 HB2 SER 656 2HB SER 656 24.574 -9.449 -12.433 116 HB3 SER 656 1HB SER 656 24.533 -9.267 -14.188 117 HG SER 656 HG SER 656 26.852 -8.908 -12.573 118 H ILE 657 H ILE 657 22.642 -6.183 -12.837 119 HA ILE 657 HA ILE 657 22.595 -6.544 -9.912 120 HB ILE 657 HB ILE 657 20.718 -4.554 -10.628 121 HG12 ILE 657 2HG1 ILE 657 22.953 -3.043 -11.360 122 HG13 ILE 657 1HG1 ILE 657 23.057 -4.504 -12.342 123 HG21 ILE 657 1HG2 ILE 657 23.340 -4.503 -9.168 124 HG22 ILE 657 2HG2 ILE 657 22.247 -3.121 -9.245 125 HG23 ILE 657 3HG2 ILE 657 21.716 -4.627 -8.493 126 HD11 ILE 657 3HD1 ILE 657 20.376 -3.688 -12.424 127 HD12 ILE 657 1HD1 ILE 657 21.351 -2.235 -12.650 128 HD13 ILE 657 2HD1 ILE 657 21.573 -3.620 -13.718 129 H ASP 658 H ASP 658 20.171 -6.175 -9.182 130 HA ASP 658 HA ASP 658 18.728 -8.439 -10.085 131 HB2 ASP 658 2HB ASP 658 18.667 -7.318 -7.769 132 HB3 ASP 658 1HB ASP 658 17.565 -6.154 -8.493 133 HA PRO 659 HA PRO 659 16.386 -6.849 -13.548 134 HB2 PRO 659 2HB PRO 659 13.973 -8.099 -12.855 135 HB3 PRO 659 1HB PRO 659 15.231 -8.768 -13.897 136 HG2 PRO 659 2HG PRO 659 14.701 -9.268 -11.004 137 HG3 PRO 659 1HG PRO 659 15.295 -10.381 -12.252 138 HD2 PRO 659 2HD PRO 659 16.942 -9.345 -10.416 139 HD3 PRO 659 1HD PRO 659 17.472 -9.595 -12.093 140 H GLY 660 H GLY 660 15.135 -6.751 -10.259 141 HA2 GLY 660 1HA GLY 660 13.785 -4.202 -10.925 142 HA3 GLY 660 2HA GLY 660 13.204 -5.315 -9.690 143 H ALA 661 H ALA 661 16.334 -3.833 -10.516 144 HA ALA 661 HA ALA 661 17.268 -3.792 -7.847 145 HB1 ALA 661 1HB ALA 661 18.954 -2.107 -8.866 146 HB2 ALA 661 2HB ALA 661 18.957 -3.777 -9.434 147 HB3 ALA 661 3HB ALA 661 18.182 -2.521 -10.399 148 H ASP 662 H ASP 662 15.302 -1.612 -9.666 149 HA ASP 662 HA ASP 662 15.545 0.440 -7.589 150 HB2 ASP 662 2HB ASP 662 14.369 1.932 -9.116 151 HB3 ASP 662 1HB ASP 662 15.745 1.201 -9.931 152 H LEU 663 H LEU 663 14.089 -2.246 -7.611 153 HA LEU 663 HA LEU 663 12.251 -3.171 -6.683 154 HB2 LEU 663 2HB LEU 663 11.924 -0.416 -5.499 155 HB3 LEU 663 1HB LEU 663 11.049 -1.843 -4.976 156 HG LEU 663 HG LEU 663 14.037 -1.430 -4.786 157 HD11 LEU 663 1HD1 LEU 663 12.462 -0.145 -3.228 158 HD12 LEU 663 2HD1 LEU 663 12.108 -1.717 -2.510 159 HD13 LEU 663 3HD1 LEU 663 13.758 -1.093 -2.496 160 HD21 LEU 663 3HD2 LEU 663 12.360 -3.813 -4.594 161 HD22 LEU 663 1HD2 LEU 663 14.106 -3.666 -4.780 162 HD23 LEU 663 2HD2 LEU 663 13.378 -3.550 -3.179 163 H SER 664 H SER 664 11.975 -2.115 -9.312 164 HA SER 664 HA SER 664 9.649 -0.570 -9.659 165 HB2 SER 664 2HB SER 664 9.945 -2.036 -11.989 166 HB3 SER 664 1HB SER 664 10.736 -0.497 -11.635 167 HG SER 664 HG SER 664 12.586 -1.493 -11.310 168 H GLN 665 H GLN 665 10.165 -4.033 -10.320 169 HA GLN 665 HA GLN 665 7.327 -4.490 -10.524 170 HB2 GLN 665 2HB GLN 665 9.625 -6.459 -10.559 171 HB3 GLN 665 1HB GLN 665 7.956 -6.826 -10.974 172 HG2 GLN 665 2HG GLN 665 8.767 -6.517 -13.058 173 HG3 GLN 665 1HG GLN 665 8.351 -4.842 -12.691 174 HE21 GLN 665 1HE2 GLN 665 9.865 -3.916 -14.000 175 HE22 GLN 665 2HE2 GLN 665 11.565 -4.022 -13.701 176 H TYR 666 H TYR 666 9.530 -4.365 -8.002 177 HA TYR 666 HA TYR 666 8.382 -6.396 -6.332 178 HB2 TYR 666 2HB TYR 666 10.255 -4.099 -5.753 179 HB3 TYR 666 1HB TYR 666 9.676 -5.207 -4.507 180 HD1 TYR 666 2HD TYR 666 11.454 -5.164 -7.782 181 HD2 TYR 666 1HD TYR 666 10.826 -7.179 -4.094 182 HE1 TYR 666 2HE TYR 666 13.256 -6.735 -8.341 183 HE2 TYR 666 1HE TYR 666 12.630 -8.757 -4.642 184 HH TYR 666 HH TYR 666 14.637 -8.314 -7.514 185 H LYS 667 H LYS 667 7.982 -2.948 -6.806 186 HA LYS 667 HA LYS 667 6.246 -2.574 -4.593 187 HB2 LYS 667 2HB LYS 667 6.757 -0.480 -5.139 188 HB3 LYS 667 1HB LYS 667 7.330 -0.954 -6.730 189 HG2 LYS 667 2HG LYS 667 4.540 -1.044 -6.892 190 HG3 LYS 667 1HG LYS 667 4.913 0.416 -5.973 191 HD2 LYS 667 2HD LYS 667 5.821 1.450 -7.757 192 HD3 LYS 667 1HD LYS 667 6.608 -0.022 -8.333 193 HE2 LYS 667 2HE LYS 667 5.074 -0.029 -9.954 194 HE3 LYS 667 1HE LYS 667 3.937 -0.559 -8.715 195 HZ1 LYS 667 3HZ LYS 667 2.878 1.263 -9.604 196 HZ2 LYS 667 1HZ LYS 667 4.317 2.128 -9.861 197 HZ3 LYS 667 2HZ LYS 667 3.691 1.972 -8.293 198 H MET 668 H MET 668 4.149 -2.867 -4.408 199 HA MET 668 HA MET 668 2.729 -4.064 -6.663 200 HB2 MET 668 2HB MET 668 0.893 -4.105 -4.679 201 HB3 MET 668 1HB MET 668 2.067 -5.381 -4.944 202 HG2 MET 668 2HG MET 668 3.556 -4.259 -3.294 203 HG3 MET 668 1HG MET 668 2.239 -3.140 -2.953 204 HE1 MET 668 3HE MET 668 0.118 -3.628 -2.228 205 HE2 MET 668 1HE MET 668 -0.463 -5.064 -1.386 206 HE3 MET 668 2HE MET 668 0.610 -3.934 -0.561 207 H ASP 669 H ASP 669 1.433 -2.919 -7.896 208 HA ASP 669 HA ASP 669 1.096 -0.128 -7.388 209 HB2 ASP 669 2HB ASP 669 1.307 -1.428 -9.678 210 HB3 ASP 669 1HB ASP 669 -0.446 -1.525 -9.536 211 H VAL 670 H VAL 670 -0.275 0.478 -5.854 212 HA VAL 670 HA VAL 670 -2.651 -1.055 -5.293 213 HB VAL 670 HB VAL 670 -1.819 1.586 -4.075 214 HG11 VAL 670 1HG1 VAL 670 -3.560 1.399 -2.680 215 HG12 VAL 670 2HG1 VAL 670 -4.206 0.265 -3.865 216 HG13 VAL 670 3HG1 VAL 670 -3.318 -0.334 -2.462 217 HG21 VAL 670 3HG2 VAL 670 -0.392 -0.762 -3.913 218 HG22 VAL 670 1HG2 VAL 670 -0.331 0.566 -2.753 219 HG23 VAL 670 2HG2 VAL 670 -1.401 -0.806 -2.465 220 H THR 671 H THR 671 -4.268 -0.857 -6.642 221 HA THR 671 HA THR 671 -4.869 1.699 -7.897 222 HB THR 671 HB THR 671 -6.551 -0.750 -8.307 223 HG1 THR 671 1HG THR 671 -3.934 -0.831 -8.505 224 HG21 THR 671 3HG2 THR 671 -5.483 1.234 -10.311 225 HG22 THR 671 1HG2 THR 671 -6.975 1.504 -9.406 226 HG23 THR 671 2HG2 THR 671 -6.839 0.123 -10.495 227 H VAL 672 H VAL 672 -5.964 3.073 -6.655 228 HA VAL 672 HA VAL 672 -7.806 2.107 -4.633 229 HB VAL 672 HB VAL 672 -7.185 4.987 -5.285 230 HG11 VAL 672 1HG1 VAL 672 -7.788 4.089 -2.539 231 HG12 VAL 672 2HG1 VAL 672 -8.294 5.544 -3.396 232 HG13 VAL 672 3HG1 VAL 672 -9.121 4.015 -3.690 233 HG21 VAL 672 3HG2 VAL 672 -5.175 4.848 -4.328 234 HG22 VAL 672 1HG2 VAL 672 -5.811 3.931 -2.964 235 HG23 VAL 672 2HG2 VAL 672 -5.332 3.096 -4.442 236 H ILE 673 H ILE 673 -9.833 1.720 -5.115 237 HA ILE 673 HA ILE 673 -11.059 2.858 -7.482 238 HB ILE 673 HB ILE 673 -11.853 0.756 -5.490 239 HG12 ILE 673 2HG1 ILE 673 -12.375 -0.134 -8.048 240 HG13 ILE 673 1HG1 ILE 673 -10.966 0.898 -8.275 241 HG21 ILE 673 1HG2 ILE 673 -14.063 0.714 -6.067 242 HG22 ILE 673 2HG2 ILE 673 -13.763 2.451 -6.160 243 HG23 ILE 673 3HG2 ILE 673 -13.781 1.475 -7.634 244 HD11 ILE 673 3HD1 ILE 673 -9.665 -0.403 -6.793 245 HD12 ILE 673 1HD1 ILE 673 -11.081 -1.275 -6.206 246 HD13 ILE 673 2HD1 ILE 673 -10.505 -1.536 -7.853 247 H ASP 674 H ASP 674 -11.879 4.840 -7.357 248 HA ASP 674 HA ASP 674 -12.935 5.842 -4.842 249 HB2 ASP 674 2HB ASP 674 -13.415 7.877 -6.503 250 HB3 ASP 674 1HB ASP 674 -11.830 7.609 -5.792 251 H THR 675 H THR 675 -14.639 4.294 -4.781 252 HA THR 675 HA THR 675 -16.670 3.358 -5.258 253 HB THR 675 HB THR 675 -17.898 5.969 -5.862 254 HG1 THR 675 1HG THR 675 -16.360 6.860 -4.570 255 HG21 THR 675 3HG2 THR 675 -18.410 3.554 -4.303 256 HG22 THR 675 1HG2 THR 675 -19.547 4.697 -5.018 257 HG23 THR 675 2HG2 THR 675 -18.831 5.033 -3.441 258 H LYS 676 H LYS 676 -15.120 3.200 -7.517 259 HA LYS 676 HA LYS 676 -16.785 4.130 -9.742 260 HB2 LYS 676 2HB LYS 676 -14.865 3.876 -11.147 261 HB3 LYS 676 1HB LYS 676 -14.346 4.712 -9.691 262 HG2 LYS 676 2HG LYS 676 -12.885 3.117 -9.176 263 HG3 LYS 676 1HG LYS 676 -14.066 1.835 -9.456 264 HD2 LYS 676 2HD LYS 676 -12.480 3.258 -11.597 265 HD3 LYS 676 1HD LYS 676 -12.118 1.656 -10.950 266 HE2 LYS 676 2HE LYS 676 -14.857 2.124 -11.990 267 HE3 LYS 676 1HE LYS 676 -13.551 2.029 -13.171 268 HZ1 LYS 676 3HZ LYS 676 -13.264 -0.076 -11.323 269 HZ2 LYS 676 1HZ LYS 676 -13.582 -0.162 -12.990 270 HZ3 LYS 676 2HZ LYS 676 -14.864 -0.071 -11.887 271 H ASP 677 H ASP 677 -16.159 1.332 -7.963 272 HA ASP 677 HA ASP 677 -16.284 -0.518 -10.155 273 HB2 ASP 677 2HB ASP 677 -15.395 -0.695 -7.550 274 HB3 ASP 677 1HB ASP 677 -16.873 -1.657 -7.538 275 H GLY 678 H GLY 678 -18.178 0.151 -11.141 276 HA2 GLY 678 1HA GLY 678 -20.436 -1.332 -10.822 277 HA3 GLY 678 2HA GLY 678 -20.711 0.068 -9.790 278 H SER 679 H SER 679 -19.087 1.791 -11.553 279 HA SER 679 HA SER 679 -21.166 2.397 -13.489 280 HB2 SER 679 2HB SER 679 -19.128 4.282 -13.759 281 HB3 SER 679 1HB SER 679 -20.601 4.464 -12.805 282 HG SER 679 HG SER 679 -18.129 4.436 -11.920 283 H GLN 680 H GLN 680 -18.591 0.423 -13.497 284 HA GLN 680 HA GLN 680 -17.115 1.205 -15.769 285 HB2 GLN 680 2HB GLN 680 -16.348 -1.228 -15.746 286 HB3 GLN 680 1HB GLN 680 -15.999 -0.262 -14.321 287 HG2 GLN 680 2HG GLN 680 -18.515 -1.501 -13.919 288 HG3 GLN 680 1HG GLN 680 -17.394 -2.729 -14.511 289 HE21 GLN 680 1HE2 GLN 680 -17.265 -3.789 -12.559 290 HE22 GLN 680 2HE2 GLN 680 -16.460 -3.122 -11.172 291 H SER 681 H SER 681 -17.941 1.411 -17.696 292 HA SER 681 HA SER 681 -19.924 -0.489 -18.688 293 HB2 SER 681 2HB SER 681 -18.932 1.582 -20.526 294 HB3 SER 681 1HB SER 681 -20.588 1.169 -20.073 295 HG SER 681 HG SER 681 -19.836 2.208 -17.938 296 H LYS 682 H LYS 682 -16.655 -0.209 -18.463 297 HA LYS 682 HA LYS 682 -15.948 -1.467 -20.970 298 HB2 LYS 682 2HB LYS 682 -14.425 -0.728 -18.481 299 HB3 LYS 682 1HB LYS 682 -13.694 -1.701 -19.749 300 HG2 LYS 682 2HG LYS 682 -14.735 0.414 -21.143 301 HG3 LYS 682 1HG LYS 682 -14.186 1.163 -19.640 302 HD2 LYS 682 2HD LYS 682 -11.972 0.352 -19.955 303 HD3 LYS 682 1HD LYS 682 -12.476 -0.687 -21.291 304 HE2 LYS 682 2HE LYS 682 -12.747 2.304 -21.369 305 HE3 LYS 682 1HE LYS 682 -11.290 1.471 -21.906 306 HZ1 LYS 682 3HZ LYS 682 -13.833 1.742 -23.212 307 HZ2 LYS 682 1HZ LYS 682 -13.272 0.138 -23.187 308 HZ3 LYS 682 2HZ LYS 682 -12.315 1.364 -23.865 309 H LEU 683 H LEU 683 -17.604 -2.562 -18.477 310 HA LEU 683 HA LEU 683 -16.383 -5.238 -18.540 311 HB2 LEU 683 2HB LEU 683 -16.991 -3.564 -16.303 312 HB3 LEU 683 1HB LEU 683 -18.050 -4.961 -16.255 313 HG LEU 683 HG LEU 683 -15.435 -5.915 -16.803 314 HD11 LEU 683 1HD1 LEU 683 -15.319 -3.490 -15.373 315 HD12 LEU 683 2HD1 LEU 683 -15.022 -4.785 -14.212 316 HD13 LEU 683 3HD1 LEU 683 -14.022 -4.652 -15.658 317 HD21 LEU 683 3HD2 LEU 683 -16.143 -7.447 -15.357 318 HD22 LEU 683 1HD2 LEU 683 -16.301 -6.251 -14.070 319 HD23 LEU 683 2HD2 LEU 683 -17.630 -6.513 -15.199 320 H GLY 684 H GLY 684 -17.892 -7.013 -18.391 321 HA2 GLY 684 1HA GLY 684 -20.314 -6.475 -19.875 322 HA3 GLY 684 2HA GLY 684 -19.700 -8.052 -19.396 323 H GLY 685 H GLY 685 -21.345 -5.169 -18.201 324 HA2 GLY 685 1HA GLY 685 -23.286 -6.671 -16.792 325 HA3 GLY 685 2HA GLY 685 -22.071 -6.070 -15.669 326 H GLY 901 H GLY 901 -24.513 -5.178 -15.204 327 HA2 GLY 901 1HA GLY 901 -24.414 -2.515 -14.972 328 HA3 GLY 901 2HA GLY 901 -24.960 -2.689 -16.634 329 H GLY 902 H GLY 902 -27.049 -2.173 -16.651 330 HA2 GLY 902 1HA GLY 902 -28.879 -3.736 -15.018 331 HA3 GLY 902 2HA GLY 902 -28.868 -2.009 -14.692 332 H SER 903 H SER 903 -28.736 -3.966 -17.665 333 HA SER 903 HA SER 903 -30.410 -2.230 -19.133 334 HB2 SER 903 2HB SER 903 -30.429 -4.972 -20.095 335 HB3 SER 903 1HB SER 903 -29.722 -3.534 -20.835 336 HG SER 903 HG SER 903 -27.921 -4.558 -20.378 337 H GLY 904 H GLY 904 -32.521 -1.931 -18.905 338 HA2 GLY 904 1HA GLY 904 -34.719 -3.058 -19.117 339 HA3 GLY 904 2HA GLY 904 -34.144 -4.186 -17.899 340 H GLY 905 H GLY 905 -34.779 -3.813 -15.887 341 HA2 GLY 905 1HA GLY 905 -35.575 -1.052 -15.194 342 HA3 GLY 905 2HA GLY 905 -36.351 -2.489 -14.537 343 H HIS 906 H HIS 906 -33.505 -0.462 -14.471 344 HA HIS 906 HA HIS 906 -32.266 -2.064 -12.383 345 HB2 HIS 906 2HB HIS 906 -31.021 -0.909 -14.307 346 HB3 HIS 906 1HB HIS 906 -31.276 0.585 -13.413 347 HD1 HIS 906 1HD HIS 906 -29.966 -2.883 -12.419 348 HD2 HIS 906 2HD HIS 906 -29.081 1.165 -12.026 349 HE1 HIS 906 1HE HIS 906 -27.848 -2.742 -11.036 350 H MET 907 H MET 907 -32.285 -1.603 -10.272 351 HA MET 907 HA MET 907 -33.847 0.721 -9.405 352 HB2 MET 907 2HB MET 907 -34.206 -1.803 -8.695 353 HB3 MET 907 1HB MET 907 -32.944 -1.419 -7.533 354 HG2 MET 907 2HG MET 907 -34.271 0.358 -6.604 355 HG3 MET 907 1HG MET 907 -35.507 0.120 -7.837 356 HE1 MET 907 3HE MET 907 -37.229 -1.477 -7.890 357 HE2 MET 907 1HE MET 907 -37.815 -2.351 -6.475 358 HE3 MET 907 2HE MET 907 -37.729 -0.591 -6.450 359 H GLY 908 H GLY 908 -30.668 -0.548 -9.493 360 HA2 GLY 908 1HA GLY 908 -28.745 0.780 -9.048 361 HA3 GLY 908 2HA GLY 908 -29.704 1.735 -7.921 362 H SER 909 H SER 909 -30.605 0.399 -6.047 363 HA SER 909 HA SER 909 -28.423 -0.943 -4.745 364 HB2 SER 909 2HB SER 909 -30.892 -1.218 -3.315 365 HB3 SER 909 1HB SER 909 -29.508 -0.194 -2.928 366 HG SER 909 HG SER 909 -31.704 0.805 -3.374 367 H GLY 910 H GLY 910 -28.462 -2.568 -6.598 368 HA2 GLY 910 1HA GLY 910 -30.450 -4.696 -6.096 369 HA3 GLY 910 2HA GLY 910 -29.628 -4.437 -7.627 370 H GLY 911 H GLY 911 -29.595 -6.064 -4.660 371 HA2 GLY 911 1HA GLY 911 -28.206 -8.112 -4.670 372 HA3 GLY 911 2HA GLY 911 -26.889 -7.099 -5.250 373 H LEU 18 H LEU 18 -27.087 -8.783 -2.834 374 HA LEU 18 HA LEU 18 -26.649 -6.668 -0.823 375 HB2 LEU 18 2HB LEU 18 -28.172 -9.192 -0.697 376 HB3 LEU 18 1HB LEU 18 -27.162 -8.854 0.694 377 HG LEU 18 HG LEU 18 -29.194 -7.950 1.333 378 HD11 LEU 18 1HD1 LEU 18 -27.373 -5.899 0.221 379 HD12 LEU 18 2HD1 LEU 18 -28.986 -5.373 0.705 380 HD13 LEU 18 3HD1 LEU 18 -27.924 -6.156 1.875 381 HD21 LEU 18 3HD2 LEU 18 -29.520 -7.129 -1.535 382 HD22 LEU 18 1HD2 LEU 18 -30.512 -8.234 -0.585 383 HD23 LEU 18 2HD2 LEU 18 -30.556 -6.503 -0.252 384 H SER 19 H SER 19 -25.090 -8.793 -2.713 385 HA SER 19 HA SER 19 -23.199 -9.714 -0.703 386 HB2 SER 19 2HB SER 19 -22.401 -10.409 -3.365 387 HB3 SER 19 1HB SER 19 -22.964 -11.472 -2.075 388 HG SER 19 HG SER 19 -24.541 -11.771 -3.461 389 H TRP 20 H TRP 20 -23.432 -7.508 -3.397 390 HA TRP 20 HA TRP 20 -22.069 -5.914 -4.248 391 HB2 TRP 20 2HB TRP 20 -20.587 -5.849 -1.635 392 HB3 TRP 20 1HB TRP 20 -20.927 -4.521 -2.737 393 HD1 TRP 20 HD TRP 20 -23.979 -4.527 -3.007 394 HE1 TRP 20 1HE TRP 20 -25.529 -4.119 -0.991 395 HE3 TRP 20 3HE TRP 20 -20.743 -5.758 0.750 396 HZ2 TRP 20 2HZ TRP 20 -25.383 -4.283 1.825 397 HZ3 TRP 20 3HZ TRP 20 -21.527 -5.601 3.077 398 HH2 TRP 20 HH TRP 20 -23.797 -4.882 3.602 399 H LYS 21 H LYS 21 -19.381 -6.519 -2.266 400 HA LYS 21 HA LYS 21 -18.112 -8.192 -4.314 401 HB2 LYS 21 2HB LYS 21 -17.568 -5.533 -4.147 402 HB3 LYS 21 1HB LYS 21 -16.366 -6.179 -3.041 403 HG2 LYS 21 2HG LYS 21 -15.270 -6.105 -5.087 404 HG3 LYS 21 1HG LYS 21 -15.767 -7.792 -4.934 405 HD2 LYS 21 2HD LYS 21 -16.986 -7.664 -6.790 406 HD3 LYS 21 1HD LYS 21 -17.834 -6.235 -6.197 407 HE2 LYS 21 2HE LYS 21 -15.692 -4.966 -6.865 408 HE3 LYS 21 1HE LYS 21 -15.316 -6.406 -7.811 409 HZ1 LYS 21 3HZ LYS 21 -17.873 -4.923 -8.072 410 HZ2 LYS 21 1HZ LYS 21 -17.258 -6.122 -9.103 411 HZ3 LYS 21 2HZ LYS 21 -16.513 -4.595 -9.030 412 H ARG 22 H ARG 22 -16.629 -9.657 -3.537 413 HA ARG 22 HA ARG 22 -16.744 -10.082 -0.652 414 HB2 ARG 22 2HB ARG 22 -17.225 -11.867 -2.519 415 HB3 ARG 22 1HB ARG 22 -15.474 -12.013 -2.562 416 HG2 ARG 22 2HG ARG 22 -15.836 -13.585 -1.002 417 HG3 ARG 22 1HG ARG 22 -15.896 -12.196 0.085 418 HD2 ARG 22 2HD ARG 22 -18.454 -12.271 -0.795 419 HD3 ARG 22 1HD ARG 22 -18.042 -13.985 -0.826 420 HE ARG 22 HE ARG 22 -17.175 -13.092 1.622 421 HH11 ARG 22 2HH1 ARG 22 -20.236 -13.146 -0.074 422 HH12 ARG 22 1HH1 ARG 22 -21.192 -13.289 1.369 423 HH21 ARG 22 2HH2 ARG 22 -18.425 -13.258 3.536 424 HH22 ARG 22 1HH2 ARG 22 -20.164 -13.322 3.424 425 H CYS 23 H CYS 23 -15.005 -9.980 0.655 426 HA CYS 23 HA CYS 23 -12.664 -8.672 -0.398 427 HB2 CYS 23 2HB CYS 23 -13.690 -7.957 1.726 428 HB3 CYS 23 1HB CYS 23 -13.328 -9.530 2.426 429 H ALA 24 H ALA 24 -10.543 -9.353 -0.122 430 HA ALA 24 HA ALA 24 -10.191 -12.264 0.033 431 HB1 ALA 24 1HB ALA 24 -7.859 -10.688 -0.732 432 HB2 ALA 24 2HB ALA 24 -8.603 -12.075 -1.529 433 HB3 ALA 24 3HB ALA 24 -9.243 -10.455 -1.803 434 H GLY 25 H GLY 25 -10.062 -9.597 1.946 435 HA2 GLY 25 1HA GLY 25 -7.680 -10.422 3.449 436 HA3 GLY 25 2HA GLY 25 -8.578 -8.928 3.662 437 H CYS 26 H CYS 26 -11.105 -9.653 4.138 438 HA CYS 26 HA CYS 26 -10.796 -11.160 6.631 439 HB2 CYS 26 2HB CYS 26 -13.021 -10.076 7.253 440 HB3 CYS 26 1HB CYS 26 -11.621 -9.018 7.173 441 H GLY 27 H GLY 27 -12.490 -11.053 3.619 442 HA2 GLY 27 1HA GLY 27 -13.207 -13.084 2.593 443 HA3 GLY 27 2HA GLY 27 -13.494 -13.750 4.193 444 H GLY 28 H GLY 28 -14.719 -10.888 4.656 445 HA2 GLY 28 1HA GLY 28 -17.424 -11.801 4.166 446 HA3 GLY 28 2HA GLY 28 -16.947 -10.336 5.017 447 H LYS 29 H LYS 29 -18.619 -9.262 3.824 448 HA LYS 29 HA LYS 29 -17.980 -8.792 1.003 449 HB2 LYS 29 2HB LYS 29 -20.259 -7.311 1.632 450 HB3 LYS 29 1HB LYS 29 -20.206 -8.845 0.776 451 HG2 LYS 29 2HG LYS 29 -20.289 -9.935 3.085 452 HG3 LYS 29 1HG LYS 29 -20.760 -8.341 3.677 453 HD2 LYS 29 2HD LYS 29 -22.354 -8.820 1.425 454 HD3 LYS 29 1HD LYS 29 -22.343 -10.332 2.332 455 HE2 LYS 29 2HE LYS 29 -22.892 -8.969 4.382 456 HE3 LYS 29 1HE LYS 29 -23.163 -7.602 3.301 457 HZ1 LYS 29 3HZ LYS 29 -25.157 -8.371 2.771 458 HZ2 LYS 29 1HZ LYS 29 -24.994 -9.514 4.013 459 HZ3 LYS 29 2HZ LYS 29 -24.564 -9.923 2.424 460 H ILE 30 H ILE 30 -17.260 -6.841 0.296 461 HA ILE 30 HA ILE 30 -16.167 -5.051 2.236 462 HB ILE 30 HB ILE 30 -16.384 -4.802 -0.770 463 HG12 ILE 30 2HG1 ILE 30 -13.752 -5.077 0.503 464 HG13 ILE 30 1HG1 ILE 30 -14.804 -6.469 0.747 465 HG21 ILE 30 1HG2 ILE 30 -14.351 -3.147 -0.067 466 HG22 ILE 30 2HG2 ILE 30 -16.002 -2.616 -0.380 467 HG23 ILE 30 3HG2 ILE 30 -15.468 -2.899 1.275 468 HD11 ILE 30 3HD1 ILE 30 -13.251 -6.495 -1.261 469 HD12 ILE 30 1HD1 ILE 30 -14.943 -6.897 -1.544 470 HD13 ILE 30 2HD1 ILE 30 -14.333 -5.297 -1.968 471 H ALA 31 H ALA 31 -17.422 -3.786 3.385 472 HA ALA 31 HA ALA 31 -19.585 -2.326 2.019 473 HB1 ALA 31 1HB ALA 31 -19.923 -4.161 4.027 474 HB2 ALA 31 2HB ALA 31 -19.901 -2.632 4.903 475 HB3 ALA 31 3HB ALA 31 -21.066 -2.887 3.605 476 H ASP 32 H ASP 32 -16.649 -1.850 2.849 477 HA ASP 32 HA ASP 32 -16.677 0.281 4.725 478 HB2 ASP 32 2HB ASP 32 -14.731 -0.851 2.793 479 HB3 ASP 32 1HB ASP 32 -14.480 0.832 3.239 480 H ARG 33 H ARG 33 -15.391 0.981 1.575 481 HA ARG 33 HA ARG 33 -17.543 2.381 0.457 482 HB2 ARG 33 2HB ARG 33 -16.767 3.853 2.519 483 HB3 ARG 33 1HB ARG 33 -15.516 4.368 1.397 484 HG2 ARG 33 2HG ARG 33 -17.028 5.385 -0.025 485 HG3 ARG 33 1HG ARG 33 -18.388 4.434 0.577 486 HD2 ARG 33 2HD ARG 33 -18.452 5.660 2.612 487 HD3 ARG 33 1HD ARG 33 -16.913 6.444 2.256 488 HE ARG 33 HE ARG 33 -19.083 6.948 0.380 489 HH11 ARG 33 2HH1 ARG 33 -17.294 8.035 3.199 490 HH12 ARG 33 1HH1 ARG 33 -17.753 9.701 3.004 491 HH21 ARG 33 2HH2 ARG 33 -19.675 9.148 0.112 492 HH22 ARG 33 1HH2 ARG 33 -19.097 10.333 1.246 493 H PHE 34 H PHE 34 -14.036 2.690 0.883 494 HA PHE 34 HA PHE 34 -13.768 2.888 -2.023 495 HB2 PHE 34 2HB PHE 34 -12.196 3.841 0.291 496 HB3 PHE 34 1HB PHE 34 -11.251 3.277 -1.084 497 HD1 PHE 34 2HD PHE 34 -14.471 5.147 -0.826 498 HD2 PHE 34 1HD PHE 34 -10.462 5.077 -2.257 499 HE1 PHE 34 2HE PHE 34 -14.852 7.281 -1.979 500 HE2 PHE 34 1HE PHE 34 -10.840 7.215 -3.418 501 HZ PHE 34 HZ PHE 34 -13.040 8.311 -3.285 502 H LEU 35 H LEU 35 -12.920 1.325 -3.210 503 HA LEU 35 HA LEU 35 -12.073 -1.128 -1.877 504 HB2 LEU 35 2HB LEU 35 -13.222 -0.431 -4.507 505 HB3 LEU 35 1HB LEU 35 -12.028 -1.714 -4.526 506 HG LEU 35 HG LEU 35 -13.959 -2.141 -2.414 507 HD11 LEU 35 1HD1 LEU 35 -15.660 -2.808 -4.390 508 HD12 LEU 35 2HD1 LEU 35 -15.758 -1.301 -3.479 509 HD13 LEU 35 3HD1 LEU 35 -14.974 -1.327 -5.057 510 HD21 LEU 35 3HD2 LEU 35 -14.239 -4.271 -3.835 511 HD22 LEU 35 1HD2 LEU 35 -12.900 -3.629 -4.787 512 HD23 LEU 35 2HD2 LEU 35 -12.681 -3.966 -3.069 513 H LEU 36 H LEU 36 -10.067 -2.041 -2.195 514 HA LEU 36 HA LEU 36 -8.106 -0.298 -3.524 515 HB2 LEU 36 2HB LEU 36 -7.636 -1.881 -1.000 516 HB3 LEU 36 1HB LEU 36 -6.513 -0.781 -1.778 517 HG LEU 36 HG LEU 36 -9.164 0.099 -0.637 518 HD11 LEU 36 1HD1 LEU 36 -7.067 -0.837 0.853 519 HD12 LEU 36 2HD1 LEU 36 -6.753 0.896 0.792 520 HD13 LEU 36 3HD1 LEU 36 -8.294 0.301 1.409 521 HD21 LEU 36 3HD2 LEU 36 -6.996 2.026 -0.815 522 HD22 LEU 36 1HD2 LEU 36 -7.451 1.369 -2.387 523 HD23 LEU 36 2HD2 LEU 36 -8.665 2.144 -1.371 524 H TYR 37 H TYR 37 -6.307 -1.294 -4.456 525 HA TYR 37 HA TYR 37 -6.631 -4.177 -4.982 526 HB2 TYR 37 2HB TYR 37 -6.386 -1.908 -6.767 527 HB3 TYR 37 1HB TYR 37 -5.089 -3.062 -7.042 528 HD1 TYR 37 1HD TYR 37 -5.855 -5.564 -7.305 529 HD2 TYR 37 2HD TYR 37 -8.402 -2.198 -7.825 530 HE1 TYR 37 1HE TYR 37 -7.375 -6.931 -8.670 531 HE2 TYR 37 2HE TYR 37 -9.929 -3.553 -9.187 532 HH TYR 37 HH TYR 37 -9.096 -6.807 -10.198 533 H ALA 38 H ALA 38 -5.122 -5.123 -3.687 534 HA ALA 38 HA ALA 38 -2.543 -3.933 -3.224 535 HB1 ALA 38 1HB ALA 38 -2.976 -6.805 -2.649 536 HB2 ALA 38 2HB ALA 38 -2.223 -5.550 -1.663 537 HB3 ALA 38 3HB ALA 38 -3.981 -5.644 -1.781 538 H MET 39 H MET 39 -3.788 -6.633 -5.133 539 HA MET 39 HA MET 39 -1.433 -6.521 -6.825 540 HB2 MET 39 2HB MET 39 -1.819 -8.571 -4.816 541 HB3 MET 39 1HB MET 39 -1.788 -9.274 -6.424 542 HG2 MET 39 2HG MET 39 0.377 -8.470 -6.856 543 HG3 MET 39 1HG MET 39 0.323 -7.364 -5.485 544 HE1 MET 39 3HE MET 39 0.750 -8.599 -2.643 545 HE2 MET 39 1HE MET 39 2.398 -8.967 -3.151 546 HE3 MET 39 2HE MET 39 1.562 -7.565 -3.819 547 H ASP 40 H ASP 40 -4.128 -8.791 -6.232 548 HA ASP 40 HA ASP 40 -5.314 -7.980 -8.772 549 HB2 ASP 40 2HB ASP 40 -3.754 -9.966 -9.133 550 HB3 ASP 40 1HB ASP 40 -4.889 -10.908 -8.175 551 H SER 41 H SER 41 -5.640 -8.844 -5.547 552 HA SER 41 HA SER 41 -8.362 -9.831 -5.817 553 HB2 SER 41 2HB SER 41 -7.601 -9.446 -3.101 554 HB3 SER 41 1HB SER 41 -7.789 -10.967 -3.979 555 HG SER 41 HG SER 41 -5.689 -10.924 -3.311 556 H TYR 42 H TYR 42 -9.970 -8.903 -4.199 557 HA TYR 42 HA TYR 42 -9.923 -5.978 -4.423 558 HB2 TYR 42 2HB TYR 42 -12.177 -7.908 -3.838 559 HB3 TYR 42 1HB TYR 42 -12.357 -6.157 -3.873 560 HD1 TYR 42 1HD TYR 42 -11.876 -4.949 -6.057 561 HD2 TYR 42 2HD TYR 42 -12.316 -9.172 -5.807 562 HE1 TYR 42 1HE TYR 42 -12.292 -5.043 -8.478 563 HE2 TYR 42 2HE TYR 42 -12.730 -9.280 -8.227 564 HH TYR 42 HH TYR 42 -12.102 -6.681 -10.312 565 H TRP 43 H TRP 43 -9.810 -4.683 -2.675 566 HA TRP 43 HA TRP 43 -10.137 -5.876 -0.014 567 HB2 TRP 43 2HB TRP 43 -7.888 -3.943 -0.531 568 HB3 TRP 43 1HB TRP 43 -8.100 -5.053 0.817 569 HD1 TRP 43 HD TRP 43 -7.233 -5.148 -2.950 570 HE1 TRP 43 1HE TRP 43 -5.752 -7.203 -3.376 571 HE3 TRP 43 3HE TRP 43 -7.272 -7.179 1.746 572 HZ2 TRP 43 2HZ TRP 43 -4.714 -9.373 -1.932 573 HZ3 TRP 43 3HZ TRP 43 -5.994 -9.252 2.132 574 HH2 TRP 43 HH TRP 43 -4.745 -10.321 0.319 575 H HIS 44 H HIS 44 -9.944 -4.030 1.666 576 HA HIS 44 HA HIS 44 -10.992 -1.481 0.702 577 HB2 HIS 44 2HB HIS 44 -12.607 -1.456 2.696 578 HB3 HIS 44 1HB HIS 44 -13.058 -2.487 1.345 579 HD1 HIS 44 1HD HIS 44 -13.548 -2.707 4.732 580 HD2 HIS 44 2HD HIS 44 -11.471 -5.142 2.089 581 HE1 HIS 44 1HE HIS 44 -13.280 -4.975 5.875 582 H SER 45 H SER 45 -11.203 -0.084 2.948 583 HA SER 45 HA SER 45 -8.587 0.669 3.366 584 HB2 SER 45 2HB SER 45 -10.184 1.490 5.597 585 HB3 SER 45 1HB SER 45 -9.668 2.435 4.199 586 HG SER 45 HG SER 45 -12.033 0.896 4.528 587 H ARG 46 H ARG 46 -10.537 -1.507 5.382 588 HA ARG 46 HA ARG 46 -8.568 -1.354 7.513 589 HB2 ARG 46 2HB ARG 46 -10.140 -2.251 8.920 590 HB3 ARG 46 1HB ARG 46 -11.159 -1.431 7.748 591 HG2 ARG 46 2HG ARG 46 -12.126 -3.333 7.108 592 HG3 ARG 46 1HG ARG 46 -10.582 -4.185 7.011 593 HD2 ARG 46 2HD ARG 46 -11.033 -5.237 8.910 594 HD3 ARG 46 1HD ARG 46 -11.153 -3.690 9.747 595 HE ARG 46 HE ARG 46 -13.563 -4.063 8.420 596 HH11 ARG 46 2HH1 ARG 46 -11.709 -5.649 10.940 597 HH12 ARG 46 1HH1 ARG 46 -13.110 -6.282 11.753 598 HH21 ARG 46 2HH2 ARG 46 -15.414 -4.907 9.486 599 HH22 ARG 46 1HH2 ARG 46 -15.214 -5.857 10.933 600 H CYS 47 H CYS 47 -9.015 -3.399 4.814 601 HA CYS 47 HA CYS 47 -7.577 -5.557 6.190 602 HB2 CYS 47 2HB CYS 47 -9.317 -5.474 3.788 603 HB3 CYS 47 1HB CYS 47 -8.008 -6.651 3.801 604 H LEU 48 H LEU 48 -7.291 -3.288 3.523 605 HA LEU 48 HA LEU 48 -4.813 -4.386 2.602 606 HB2 LEU 48 2HB LEU 48 -6.736 -2.652 1.591 607 HB3 LEU 48 1HB LEU 48 -5.319 -1.647 1.811 608 HG LEU 48 HG LEU 48 -5.898 -3.331 -0.353 609 HD11 LEU 48 1HD1 LEU 48 -3.149 -2.535 -0.265 610 HD12 LEU 48 2HD1 LEU 48 -4.471 -1.911 -1.253 611 HD13 LEU 48 3HD1 LEU 48 -4.186 -1.248 0.356 612 HD21 LEU 48 3HD2 LEU 48 -3.795 -4.477 1.447 613 HD22 LEU 48 1HD2 LEU 48 -5.085 -5.301 0.571 614 HD23 LEU 48 2HD2 LEU 48 -3.697 -4.663 -0.304 615 H LYS 49 H LYS 49 -3.823 -4.370 4.722 616 HA LYS 49 HA LYS 49 -2.486 -1.815 5.289 617 HB2 LYS 49 2HB LYS 49 -3.189 -3.711 7.510 618 HB3 LYS 49 1HB LYS 49 -2.831 -1.994 7.598 619 HG2 LYS 49 2HG LYS 49 -5.105 -2.047 6.070 620 HG3 LYS 49 1HG LYS 49 -5.370 -3.361 7.217 621 HD2 LYS 49 2HD LYS 49 -4.273 -1.043 8.539 622 HD3 LYS 49 1HD LYS 49 -5.747 -0.629 7.659 623 HE2 LYS 49 2HE LYS 49 -7.009 -2.259 8.828 624 HE3 LYS 49 1HE LYS 49 -5.557 -2.993 9.504 625 HZ1 LYS 49 3HZ LYS 49 -5.489 -0.370 10.329 626 HZ2 LYS 49 1HZ LYS 49 -5.887 -1.726 11.268 627 HZ3 LYS 49 2HZ LYS 49 -7.111 -0.831 10.504 628 H CYS 50 H CYS 50 -0.413 -2.140 6.515 629 HA CYS 50 HA CYS 50 1.217 -4.167 5.471 630 HB2 CYS 50 2HB CYS 50 2.131 -2.090 6.486 631 HB3 CYS 50 1HB CYS 50 1.598 -2.640 8.069 632 H SER 51 H SER 51 1.686 -6.225 6.144 633 HA SER 51 HA SER 51 -0.124 -7.416 8.040 634 HB2 SER 51 2HB SER 51 2.281 -8.705 6.728 635 HB3 SER 51 1HB SER 51 0.867 -9.513 7.409 636 HG SER 51 HG SER 51 0.246 -7.648 5.495 637 H SER 52 H SER 52 2.540 -5.600 8.445 638 HA SER 52 HA SER 52 3.320 -7.000 10.911 639 HB2 SER 52 2HB SER 52 5.194 -4.979 9.983 640 HB3 SER 52 1HB SER 52 5.480 -6.674 10.384 641 HG SER 52 HG SER 52 4.518 -5.618 7.921 642 H CYS 53 H CYS 53 2.550 -3.879 9.426 643 HA CYS 53 HA CYS 53 2.667 -2.546 12.031 644 HB2 CYS 53 2HB CYS 53 2.218 -1.496 9.231 645 HB3 CYS 53 1HB CYS 53 2.215 -0.487 10.672 646 H GLN 54 H GLN 54 0.399 -3.711 9.690 647 HA GLN 54 HA GLN 54 -1.841 -3.667 9.464 648 HB2 GLN 54 2HB GLN 54 -1.529 -3.370 12.414 649 HB3 GLN 54 1HB GLN 54 -3.115 -3.055 11.719 650 HG2 GLN 54 2HG GLN 54 -1.812 -5.517 10.795 651 HG3 GLN 54 1HG GLN 54 -2.237 -5.482 12.507 652 HE21 GLN 54 1HE2 GLN 54 -3.720 -4.519 9.396 653 HE22 GLN 54 2HE2 GLN 54 -5.266 -5.202 9.747 654 H ALA 55 H ALA 55 -0.119 -1.250 9.240 655 HA ALA 55 HA ALA 55 -1.990 0.936 9.597 656 HB1 ALA 55 1HB ALA 55 0.719 0.859 9.544 657 HB2 ALA 55 2HB ALA 55 0.375 1.329 7.879 658 HB3 ALA 55 3HB ALA 55 -0.231 2.307 9.213 659 H GLN 56 H GLN 56 -3.261 1.795 8.006 660 HA GLN 56 HA GLN 56 -3.980 0.100 5.857 661 HB2 GLN 56 2HB GLN 56 -4.819 2.929 5.697 662 HB3 GLN 56 1HB GLN 56 -5.777 1.461 5.596 663 HG2 GLN 56 2HG GLN 56 -5.136 1.370 8.187 664 HG3 GLN 56 1HG GLN 56 -5.074 3.115 7.937 665 HE21 GLN 56 1HE2 GLN 56 -7.059 3.515 6.135 666 HE22 GLN 56 2HE2 GLN 56 -8.585 3.110 6.834 667 H LEU 57 H LEU 57 -2.295 -0.238 4.469 668 HA LEU 57 HA LEU 57 -0.661 1.821 3.396 669 HB2 LEU 57 2HB LEU 57 -1.160 -1.043 2.624 670 HB3 LEU 57 1HB LEU 57 -0.107 -0.008 1.679 671 HG LEU 57 HG LEU 57 0.301 -0.610 4.608 672 HD11 LEU 57 1HD1 LEU 57 1.521 -2.423 4.097 673 HD12 LEU 57 2HD1 LEU 57 0.574 -2.420 2.607 674 HD13 LEU 57 3HD1 LEU 57 2.179 -1.691 2.633 675 HD21 LEU 57 3HD2 LEU 57 2.349 0.494 4.432 676 HD22 LEU 57 1HD2 LEU 57 2.327 0.453 2.670 677 HD23 LEU 57 2HD2 LEU 57 1.239 1.535 3.538 678 H GLY 58 H GLY 58 -3.779 0.612 2.608 679 HA2 GLY 58 1HA GLY 58 -3.738 1.650 -0.102 680 HA3 GLY 58 2HA GLY 58 -5.093 0.871 0.702 681 H ASP 59 H ASP 59 -4.097 3.029 2.897 682 HA ASP 59 HA ASP 59 -5.965 5.070 1.931 683 HB2 ASP 59 2HB ASP 59 -5.891 3.849 4.349 684 HB3 ASP 59 1HB ASP 59 -4.892 5.258 4.682 685 H ILE 60 H ILE 60 -2.914 4.431 1.722 686 HA ILE 60 HA ILE 60 -2.103 7.245 1.664 687 HB ILE 60 HB ILE 60 -0.155 5.068 2.393 688 HG12 ILE 60 2HG1 ILE 60 -1.428 6.805 4.493 689 HG13 ILE 60 1HG1 ILE 60 -2.162 5.269 4.038 690 HG21 ILE 60 1HG2 ILE 60 0.713 7.218 1.614 691 HG22 ILE 60 2HG2 ILE 60 -0.153 8.035 2.912 692 HG23 ILE 60 3HG2 ILE 60 1.149 6.907 3.293 693 HD11 ILE 60 3HD1 ILE 60 0.360 4.463 4.466 694 HD12 ILE 60 1HD1 ILE 60 0.279 5.824 5.583 695 HD13 ILE 60 2HD1 ILE 60 -0.880 4.503 5.719 696 H GLY 61 H GLY 61 -0.840 7.761 -0.113 697 HA2 GLY 61 1HA GLY 61 -0.781 5.949 -2.327 698 HA3 GLY 61 2HA GLY 61 -0.018 7.534 -2.256 699 H THR 62 H THR 62 0.345 4.394 -0.648 700 HA THR 62 HA THR 62 3.238 4.798 -0.562 701 HB THR 62 HB THR 62 2.523 2.407 0.771 702 HG1 THR 62 1HG THR 62 0.384 3.070 0.919 703 HG21 THR 62 3HG2 THR 62 4.076 3.347 2.062 704 HG22 THR 62 1HG2 THR 62 2.841 4.454 2.666 705 HG23 THR 62 2HG2 THR 62 3.835 4.913 1.284 706 H SER 63 H SER 63 4.340 3.979 -2.199 707 HA SER 63 HA SER 63 3.500 1.691 -3.698 708 HB2 SER 63 2HB SER 63 6.277 2.888 -3.611 709 HB3 SER 63 1HB SER 63 5.540 1.966 -4.921 710 HG SER 63 HG SER 63 4.898 4.590 -4.044 711 H SER 64 H SER 64 3.166 0.187 -1.981 712 HA SER 64 HA SER 64 5.252 -0.584 -0.218 713 HB2 SER 64 2HB SER 64 3.273 -1.202 0.736 714 HB3 SER 64 1HB SER 64 2.485 -1.451 -0.820 715 HG SER 64 HG SER 64 3.971 -3.227 0.745 716 H TYR 65 H TYR 65 6.564 -2.411 -0.280 717 HA TYR 65 HA TYR 65 6.891 -3.567 -2.963 718 HB2 TYR 65 2HB TYR 65 9.066 -3.369 -0.883 719 HB3 TYR 65 1HB TYR 65 9.233 -3.688 -2.606 720 HD1 TYR 65 2HD TYR 65 8.833 -1.841 -4.242 721 HD2 TYR 65 1HD TYR 65 9.000 -1.146 -0.050 722 HE1 TYR 65 2HE TYR 65 9.182 0.553 -4.663 723 HE2 TYR 65 1HE TYR 65 9.346 1.250 -0.454 724 HH TYR 65 HH TYR 65 9.042 2.646 -3.627 725 H THR 66 H THR 66 7.309 -5.775 -3.152 726 HA THR 66 HA THR 66 7.013 -7.344 -0.690 727 HB THR 66 HB THR 66 4.808 -7.105 -1.910 728 HG1 THR 66 1HG THR 66 4.806 -8.795 -0.572 729 HG21 THR 66 3HG2 THR 66 4.764 -8.978 -3.809 730 HG22 THR 66 1HG2 THR 66 6.427 -8.432 -4.015 731 HG23 THR 66 2HG2 THR 66 5.097 -7.284 -4.169 732 H LYS 67 H LYS 67 7.488 -9.688 -1.114 733 HA LYS 67 HA LYS 67 9.471 -10.091 -3.220 734 HB2 LYS 67 2HB LYS 67 10.192 -9.479 -0.595 735 HB3 LYS 67 1HB LYS 67 10.358 -11.226 -0.693 736 HG2 LYS 67 2HG LYS 67 11.671 -10.704 -2.880 737 HG3 LYS 67 1HG LYS 67 11.838 -9.098 -2.167 738 HD2 LYS 67 2HD LYS 67 12.665 -10.273 -0.075 739 HD3 LYS 67 1HD LYS 67 12.772 -11.734 -1.059 740 HE2 LYS 67 2HE LYS 67 14.038 -9.297 -2.153 741 HE3 LYS 67 1HE LYS 67 14.802 -10.015 -0.734 742 HZ1 LYS 67 3HZ LYS 67 15.736 -11.492 -2.071 743 HZ2 LYS 67 1HZ LYS 67 14.919 -10.864 -3.416 744 HZ3 LYS 67 2HZ LYS 67 14.208 -12.094 -2.487 745 H SER 68 H SER 68 8.264 -11.723 -0.303 746 HA SER 68 HA SER 68 7.903 -14.149 -1.899 747 HB2 SER 68 2HB SER 68 7.687 -14.245 1.057 748 HB3 SER 68 1HB SER 68 8.516 -15.341 -0.054 749 HG SER 68 HG SER 68 10.268 -14.068 -0.044 750 H GLY 69 H GLY 69 5.951 -12.174 -2.213 751 HA2 GLY 69 1HA GLY 69 3.661 -12.036 -2.344 752 HA3 GLY 69 2HA GLY 69 3.605 -13.685 -1.742 753 H MET 70 H MET 70 5.120 -11.103 0.034 754 HA MET 70 HA MET 70 2.996 -11.340 2.061 755 HB2 MET 70 2HB MET 70 5.886 -11.508 2.227 756 HB3 MET 70 1HB MET 70 5.267 -10.246 3.282 757 HG2 MET 70 2HG MET 70 3.552 -12.206 3.892 758 HG3 MET 70 1HG MET 70 4.953 -13.172 3.436 759 HE1 MET 70 3HE MET 70 7.639 -12.355 5.931 760 HE2 MET 70 1HE MET 70 6.774 -13.814 5.452 761 HE3 MET 70 2HE MET 70 7.292 -12.655 4.228 762 H ILE 71 H ILE 71 1.966 -9.512 2.695 763 HA ILE 71 HA ILE 71 2.617 -7.094 1.226 764 HB ILE 71 HB ILE 71 0.381 -7.466 3.221 765 HG12 ILE 71 2HG1 ILE 71 -0.254 -7.571 0.346 766 HG13 ILE 71 1HG1 ILE 71 0.663 -8.951 0.942 767 HG21 ILE 71 1HG2 ILE 71 -0.664 -5.636 1.897 768 HG22 ILE 71 2HG2 ILE 71 0.819 -5.155 2.723 769 HG23 ILE 71 3HG2 ILE 71 0.845 -5.487 0.991 770 HD11 ILE 71 3HD1 ILE 71 -1.032 -9.640 2.340 771 HD12 ILE 71 1HD1 ILE 71 -1.773 -8.040 2.405 772 HD13 ILE 71 2HD1 ILE 71 -1.923 -9.023 0.948 773 H LEU 72 H LEU 72 4.202 -5.898 2.024 774 HA LEU 72 HA LEU 72 4.124 -5.200 4.877 775 HB2 LEU 72 2HB LEU 72 6.714 -5.399 3.375 776 HB3 LEU 72 1HB LEU 72 6.448 -5.384 5.109 777 HG LEU 72 HG LEU 72 5.372 -7.684 3.553 778 HD11 LEU 72 1HD1 LEU 72 7.338 -8.325 2.763 779 HD12 LEU 72 2HD1 LEU 72 8.117 -6.907 3.467 780 HD13 LEU 72 3HD1 LEU 72 7.957 -8.385 4.414 781 HD21 LEU 72 3HD2 LEU 72 6.390 -7.150 6.314 782 HD22 LEU 72 1HD2 LEU 72 4.850 -7.840 5.802 783 HD23 LEU 72 2HD2 LEU 72 6.327 -8.797 5.689 784 H CYS 73 H CYS 73 5.030 -3.108 5.354 785 HA CYS 73 HA CYS 73 4.386 -1.168 3.370 786 HB2 CYS 73 2HB CYS 73 5.060 0.468 5.085 787 HB3 CYS 73 1HB CYS 73 3.956 -0.739 5.733 788 H ARG 74 H ARG 74 6.075 0.754 3.221 789 HA ARG 74 HA ARG 74 8.141 -0.139 1.550 790 HB2 ARG 74 2HB ARG 74 7.437 2.039 1.129 791 HB3 ARG 74 1HB ARG 74 7.454 2.486 2.826 792 HG2 ARG 74 2HG ARG 74 9.893 2.534 2.804 793 HG3 ARG 74 1HG ARG 74 9.894 2.040 1.111 794 HD2 ARG 74 2HD ARG 74 10.194 4.526 1.611 795 HD3 ARG 74 1HD ARG 74 8.992 4.082 0.400 796 HE ARG 74 HE ARG 74 7.693 4.240 2.868 797 HH11 ARG 74 2HH1 ARG 74 9.408 6.381 0.681 798 HH12 ARG 74 1HH1 ARG 74 8.455 7.775 1.103 799 HH21 ARG 74 2HH2 ARG 74 6.434 6.061 3.408 800 HH22 ARG 74 1HH2 ARG 74 6.757 7.595 2.650 801 H ASN 75 H ASN 75 8.138 0.873 4.930 802 HA ASN 75 HA ASN 75 10.984 0.662 5.203 803 HB2 ASN 75 2HB ASN 75 10.423 2.066 6.857 804 HB3 ASN 75 1HB ASN 75 8.737 1.572 6.800 805 HD21 ASN 75 1HD2 ASN 75 8.000 -0.004 8.211 806 HD22 ASN 75 2HD2 ASN 75 8.929 -0.532 9.572 807 H ASP 76 H ASP 76 8.227 -1.419 5.812 808 HA ASP 76 HA ASP 76 9.624 -3.241 7.494 809 HB2 ASP 76 2HB ASP 76 6.952 -2.924 6.565 810 HB3 ASP 76 1HB ASP 76 7.457 -4.574 6.210 811 H TYR 77 H TYR 77 9.003 -3.135 4.011 812 HA TYR 77 HA TYR 77 9.821 -5.726 3.384 813 HB2 TYR 77 2HB TYR 77 8.846 -4.485 1.617 814 HB3 TYR 77 1HB TYR 77 9.995 -3.162 1.805 815 HD1 TYR 77 2HD TYR 77 10.103 -6.851 1.185 816 HD2 TYR 77 1HD TYR 77 11.620 -3.005 0.171 817 HE1 TYR 77 2HE TYR 77 11.570 -7.878 -0.499 818 HE2 TYR 77 1HE TYR 77 13.099 -4.025 -1.507 819 HH TYR 77 HH TYR 77 14.181 -6.505 -1.725 820 H ILE 78 H ILE 78 11.755 -2.774 3.727 821 HA ILE 78 HA ILE 78 14.227 -3.972 3.009 822 HB ILE 78 HB ILE 78 13.861 -1.547 4.774 823 HG12 ILE 78 2HG1 ILE 78 14.246 -1.400 1.802 824 HG13 ILE 78 1HG1 ILE 78 12.627 -1.614 2.463 825 HG21 ILE 78 1HG2 ILE 78 16.067 -1.689 2.840 826 HG22 ILE 78 2HG2 ILE 78 16.056 -1.135 4.513 827 HG23 ILE 78 3HG2 ILE 78 16.149 -2.861 4.156 828 HD11 ILE 78 3HD1 ILE 78 14.435 0.610 3.337 829 HD12 ILE 78 1HD1 ILE 78 13.355 0.750 1.950 830 HD13 ILE 78 2HD1 ILE 78 12.694 0.457 3.557 831 H ARG 79 H ARG 79 12.592 -3.413 6.085 832 HA ARG 79 HA ARG 79 14.730 -4.307 7.718 833 HB2 ARG 79 2HB ARG 79 13.428 -3.470 9.326 834 HB3 ARG 79 1HB ARG 79 12.229 -3.108 8.100 835 HG2 ARG 79 2HG ARG 79 10.983 -5.013 8.585 836 HG3 ARG 79 1HG ARG 79 12.323 -5.790 9.428 837 HD2 ARG 79 2HD ARG 79 11.503 -5.007 11.336 838 HD3 ARG 79 1HD ARG 79 11.860 -3.378 10.767 839 HE ARG 79 HE ARG 79 9.358 -4.412 9.783 840 HH11 ARG 79 2HH1 ARG 79 10.909 -2.793 12.484 841 HH12 ARG 79 1HH1 ARG 79 9.456 -1.994 13.009 842 HH21 ARG 79 2HH2 ARG 79 7.446 -3.384 10.478 843 HH22 ARG 79 1HH2 ARG 79 7.476 -2.345 11.879 844 H LEU 80 H LEU 80 12.063 -5.919 6.127 845 HA LEU 80 HA LEU 80 12.485 -8.427 7.470 846 HB2 LEU 80 2HB LEU 80 10.726 -7.431 5.279 847 HB3 LEU 80 1HB LEU 80 11.005 -9.156 5.391 848 HG LEU 80 HG LEU 80 9.179 -7.523 6.879 849 HD11 LEU 80 1HD1 LEU 80 8.237 -9.651 7.471 850 HD12 LEU 80 2HD1 LEU 80 8.737 -9.687 5.779 851 HD13 LEU 80 3HD1 LEU 80 9.721 -10.480 7.007 852 HD21 LEU 80 3HD2 LEU 80 9.599 -8.211 9.121 853 HD22 LEU 80 1HD2 LEU 80 10.976 -9.196 8.624 854 HD23 LEU 80 2HD2 LEU 80 11.066 -7.437 8.521 855 H PHE 81 H PHE 81 12.805 -7.433 4.061 856 HA PHE 81 HA PHE 81 14.805 -9.569 3.739 857 HB2 PHE 81 2HB PHE 81 13.154 -8.362 1.522 858 HB3 PHE 81 1HB PHE 81 14.135 -9.821 1.464 859 HD1 PHE 81 1HD PHE 81 13.386 -11.838 2.773 860 HD2 PHE 81 2HD PHE 81 10.904 -8.434 2.169 861 HE1 PHE 81 1HE PHE 81 11.399 -13.189 3.326 862 HE2 PHE 81 2HE PHE 81 8.919 -9.780 2.721 863 HZ PHE 81 HZ PHE 81 9.166 -12.157 3.303 864 H GLY 82 H GLY 82 14.004 -6.864 1.602 865 HA2 GLY 82 1HA GLY 82 15.336 -4.950 1.187 866 HA3 GLY 82 2HA GLY 82 16.655 -5.709 2.075 Start of MODEL 7 1 H SER 641 1H SER 641 20.197 -17.084 -29.737 2 HA SER 641 HA SER 641 18.913 -16.799 -27.902 3 HB2 SER 641 2HB SER 641 18.549 -19.723 -27.790 4 HB3 SER 641 1HB SER 641 17.390 -18.456 -28.191 5 HG SER 641 HG SER 641 17.876 -19.820 -29.988 6 H LEU 642 H LEU 642 18.176 -17.835 -25.726 7 HA LEU 642 HA LEU 642 20.294 -17.771 -23.899 8 HB2 LEU 642 2HB LEU 642 17.420 -18.321 -23.836 9 HB3 LEU 642 1HB LEU 642 18.320 -19.163 -22.591 10 HG LEU 642 HG LEU 642 19.149 -16.409 -22.700 11 HD11 LEU 642 1HD1 LEU 642 17.269 -15.225 -22.746 12 HD12 LEU 642 2HD1 LEU 642 16.517 -16.656 -23.453 13 HD13 LEU 642 3HD1 LEU 642 16.420 -16.375 -21.714 14 HD21 LEU 642 3HD2 LEU 642 17.968 -18.291 -20.699 15 HD22 LEU 642 1HD2 LEU 642 19.573 -17.562 -20.737 16 HD23 LEU 642 2HD2 LEU 642 18.169 -16.582 -20.314 17 H GLN 643 H GLN 643 21.912 -19.199 -23.895 18 HA GLN 643 HA GLN 643 21.513 -21.978 -24.536 19 HB2 GLN 643 2HB GLN 643 23.883 -20.363 -23.616 20 HB3 GLN 643 1HB GLN 643 23.952 -22.119 -23.709 21 HG2 GLN 643 2HG GLN 643 24.656 -21.773 -25.795 22 HG3 GLN 643 1HG GLN 643 22.953 -21.498 -26.154 23 HE21 GLN 643 1HE2 GLN 643 23.858 -20.237 -27.934 24 HE22 GLN 643 2HE2 GLN 643 24.299 -18.590 -27.643 25 H ASN 644 H ASN 644 21.952 -20.016 -21.651 26 HA ASN 644 HA ASN 644 21.866 -22.243 -19.843 27 HB2 ASN 644 2HB ASN 644 22.809 -19.895 -19.364 28 HB3 ASN 644 1HB ASN 644 21.132 -19.395 -19.154 29 HD21 ASN 644 1HD2 ASN 644 20.591 -19.298 -17.106 30 HD22 ASN 644 2HD2 ASN 644 21.119 -20.375 -15.859 31 H ASN 645 H ASN 645 20.050 -22.862 -18.524 32 HA ASN 645 HA ASN 645 17.611 -22.636 -20.082 33 HB2 ASN 645 2HB ASN 645 18.533 -24.833 -19.155 34 HB3 ASN 645 1HB ASN 645 17.936 -24.287 -17.586 35 HD21 ASN 645 1HD2 ASN 645 16.681 -24.143 -20.901 36 HD22 ASN 645 2HD2 ASN 645 15.142 -24.850 -20.534 37 H GLN 646 H GLN 646 16.149 -21.204 -19.705 38 HA GLN 646 HA GLN 646 14.553 -19.971 -18.674 39 HB2 GLN 646 2HB GLN 646 15.453 -21.682 -16.422 40 HB3 GLN 646 1HB GLN 646 14.558 -20.227 -16.009 41 HG2 GLN 646 2HG GLN 646 13.143 -21.443 -18.097 42 HG3 GLN 646 1HG GLN 646 13.600 -22.738 -16.988 43 HE21 GLN 646 1HE2 GLN 646 11.408 -20.302 -17.625 44 HE22 GLN 646 2HE2 GLN 646 10.613 -20.255 -16.080 45 H ASP 647 H ASP 647 17.123 -19.971 -16.216 46 HA ASP 647 HA ASP 647 16.879 -17.121 -15.919 47 HB2 ASP 647 2HB ASP 647 17.567 -19.044 -14.178 48 HB3 ASP 647 1HB ASP 647 19.178 -18.574 -14.711 49 H VAL 648 H VAL 648 18.762 -15.690 -16.029 50 HA VAL 648 HA VAL 648 20.030 -15.915 -18.592 51 HB VAL 648 HB VAL 648 21.160 -13.882 -16.818 52 HG11 VAL 648 1HG1 VAL 648 20.028 -14.096 -19.551 53 HG12 VAL 648 2HG1 VAL 648 20.051 -12.502 -18.796 54 HG13 VAL 648 3HG1 VAL 648 21.555 -13.401 -19.007 55 HG21 VAL 648 3HG2 VAL 648 19.090 -12.492 -16.781 56 HG22 VAL 648 1HG2 VAL 648 18.179 -13.918 -17.270 57 HG23 VAL 648 2HG2 VAL 648 19.028 -13.904 -15.725 58 H SER 649 H SER 649 22.504 -15.243 -18.610 59 HA SER 649 HA SER 649 23.909 -17.443 -17.469 60 HB2 SER 649 2HB SER 649 25.587 -15.319 -18.544 61 HB3 SER 649 1HB SER 649 25.379 -16.980 -19.108 62 HG SER 649 HG SER 649 24.524 -15.832 -20.735 63 H PHE 650 H PHE 650 23.266 -16.793 -15.215 64 HA PHE 650 HA PHE 650 24.726 -14.592 -14.038 65 HB2 PHE 650 2HB PHE 650 23.608 -15.181 -11.970 66 HB3 PHE 650 1HB PHE 650 22.432 -15.191 -13.279 67 HD1 PHE 650 2HD PHE 650 21.789 -17.439 -14.284 68 HD2 PHE 650 1HD PHE 650 23.904 -17.055 -10.612 69 HE1 PHE 650 2HE PHE 650 21.118 -19.723 -13.665 70 HE2 PHE 650 1HE PHE 650 23.236 -19.339 -9.986 71 HZ PHE 650 HZ PHE 650 21.840 -20.674 -11.513 72 H GLU 651 H GLU 651 25.487 -17.697 -14.908 73 HA GLU 651 HA GLU 651 27.252 -18.253 -12.667 74 HB2 GLU 651 2HB GLU 651 27.826 -20.087 -14.689 75 HB3 GLU 651 1HB GLU 651 26.787 -20.356 -13.298 76 HG2 GLU 651 2HG GLU 651 25.449 -20.990 -15.061 77 HG3 GLU 651 1HG GLU 651 24.937 -19.326 -14.779 78 H ASN 652 H ASN 652 27.373 -17.280 -16.023 79 HA ASN 652 HA ASN 652 30.178 -17.364 -16.363 80 HB2 ASN 652 2HB ASN 652 27.872 -16.170 -17.816 81 HB3 ASN 652 1HB ASN 652 29.468 -15.522 -18.178 82 HD21 ASN 652 1HD2 ASN 652 27.527 -18.448 -18.107 83 HD22 ASN 652 2HD2 ASN 652 28.459 -19.309 -19.291 84 H ILE 653 H ILE 653 27.994 -14.894 -15.147 85 HA ILE 653 HA ILE 653 30.356 -13.288 -14.442 86 HB ILE 653 HB ILE 653 28.436 -11.375 -14.537 87 HG12 ILE 653 2HG1 ILE 653 27.948 -12.773 -17.129 88 HG13 ILE 653 1HG1 ILE 653 27.048 -13.318 -15.718 89 HG21 ILE 653 1HG2 ILE 653 29.875 -11.929 -17.074 90 HG22 ILE 653 2HG2 ILE 653 29.737 -10.431 -16.153 91 HG23 ILE 653 3HG2 ILE 653 30.830 -11.703 -15.609 92 HD11 ILE 653 3HD1 ILE 653 25.645 -11.618 -15.894 93 HD12 ILE 653 1HD1 ILE 653 26.973 -10.454 -15.905 94 HD13 ILE 653 2HD1 ILE 653 26.434 -11.195 -17.411 95 H GLN 654 H GLN 654 30.530 -13.821 -12.346 96 HA GLN 654 HA GLN 654 28.222 -13.863 -10.601 97 HB2 GLN 654 2HB GLN 654 30.888 -13.752 -9.366 98 HB3 GLN 654 1HB GLN 654 29.568 -14.868 -9.072 99 HG2 GLN 654 2HG GLN 654 30.345 -16.362 -10.570 100 HG3 GLN 654 1HG GLN 654 31.016 -15.120 -11.621 101 HE21 GLN 654 1HE2 GLN 654 31.611 -17.281 -9.031 102 HE22 GLN 654 2HE2 GLN 654 33.294 -16.921 -8.825 103 H TRP 655 H TRP 655 27.655 -11.622 -11.247 104 HA TRP 655 HA TRP 655 29.382 -9.511 -10.318 105 HB2 TRP 655 2HB TRP 655 27.000 -9.727 -12.004 106 HB3 TRP 655 1HB TRP 655 26.987 -8.311 -10.956 107 HD1 TRP 655 HD TRP 655 27.802 -8.976 -14.311 108 HE1 TRP 655 1HE TRP 655 29.713 -7.504 -15.218 109 HE3 TRP 655 3HE TRP 655 29.742 -7.339 -9.867 110 HZ2 TRP 655 2HZ TRP 655 31.763 -5.874 -14.180 111 HZ3 TRP 655 3HZ TRP 655 31.679 -5.825 -9.917 112 HH2 TRP 655 HH TRP 655 32.667 -5.109 -12.032 113 H SER 656 H SER 656 29.531 -9.374 -8.184 114 HA SER 656 HA SER 656 27.296 -9.703 -6.423 115 HB2 SER 656 2HB SER 656 29.519 -8.410 -5.166 116 HB3 SER 656 1HB SER 656 28.956 -10.068 -4.970 117 HG SER 656 HG SER 656 31.206 -9.577 -5.867 118 H ILE 657 H ILE 657 26.300 -7.913 -7.970 119 HA ILE 657 HA ILE 657 26.847 -5.237 -6.889 120 HB ILE 657 HB ILE 657 25.324 -4.519 -8.829 121 HG12 ILE 657 2HG1 ILE 657 26.112 -6.928 -10.325 122 HG13 ILE 657 1HG1 ILE 657 24.892 -7.216 -9.088 123 HG21 ILE 657 1HG2 ILE 657 27.158 -4.208 -10.184 124 HG22 ILE 657 2HG2 ILE 657 27.923 -4.528 -8.626 125 HG23 ILE 657 3HG2 ILE 657 27.820 -5.806 -9.838 126 HD11 ILE 657 3HD1 ILE 657 24.052 -6.694 -11.406 127 HD12 ILE 657 1HD1 ILE 657 23.381 -5.719 -10.100 128 HD13 ILE 657 2HD1 ILE 657 24.629 -5.048 -11.148 129 H ASP 658 H ASP 658 24.474 -3.968 -7.366 130 HA ASP 658 HA ASP 658 22.831 -4.785 -5.202 131 HB2 ASP 658 2HB ASP 658 22.795 -2.648 -7.237 132 HB3 ASP 658 1HB ASP 658 21.205 -3.140 -6.664 133 HA PRO 659 HA PRO 659 20.819 -7.915 -7.693 134 HB2 PRO 659 2HB PRO 659 19.771 -9.104 -5.330 135 HB3 PRO 659 1HB PRO 659 21.200 -9.596 -6.239 136 HG2 PRO 659 2HG PRO 659 21.208 -8.539 -3.668 137 HG3 PRO 659 1HG PRO 659 22.605 -8.618 -4.752 138 HD2 PRO 659 2HD PRO 659 20.800 -6.318 -4.148 139 HD3 PRO 659 1HD PRO 659 22.550 -6.334 -4.467 140 H GLY 660 H GLY 660 19.436 -5.600 -7.816 141 HA2 GLY 660 1HA GLY 660 17.240 -5.041 -8.362 142 HA3 GLY 660 2HA GLY 660 16.700 -6.540 -7.619 143 H ALA 661 H ALA 661 18.791 -4.346 -5.937 144 HA ALA 661 HA ALA 661 17.041 -4.187 -3.704 145 HB1 ALA 661 1HB ALA 661 19.516 -2.571 -4.298 146 HB2 ALA 661 2HB ALA 661 18.728 -2.735 -2.729 147 HB3 ALA 661 3HB ALA 661 19.483 -4.137 -3.490 148 H ASP 662 H ASP 662 17.149 -2.492 -6.612 149 HA ASP 662 HA ASP 662 16.214 0.051 -5.829 150 HB2 ASP 662 2HB ASP 662 17.027 -0.751 -8.145 151 HB3 ASP 662 1HB ASP 662 15.375 -1.316 -8.375 152 H LEU 663 H LEU 663 14.679 -3.038 -6.118 153 HA LEU 663 HA LEU 663 12.685 -3.826 -5.386 154 HB2 LEU 663 2HB LEU 663 13.030 -1.318 -3.901 155 HB3 LEU 663 1HB LEU 663 11.369 -1.858 -4.028 156 HG LEU 663 HG LEU 663 11.705 -3.689 -2.690 157 HD11 LEU 663 1HD1 LEU 663 13.707 -4.384 -4.235 158 HD12 LEU 663 2HD1 LEU 663 14.677 -3.729 -2.918 159 HD13 LEU 663 3HD1 LEU 663 13.549 -5.050 -2.611 160 HD21 LEU 663 3HD2 LEU 663 13.677 -2.910 -1.031 161 HD22 LEU 663 1HD2 LEU 663 13.374 -1.399 -1.890 162 HD23 LEU 663 2HD2 LEU 663 12.060 -2.205 -1.036 163 H SER 664 H SER 664 12.948 -1.994 -7.856 164 HA SER 664 HA SER 664 10.504 -0.644 -8.208 165 HB2 SER 664 2HB SER 664 11.498 -1.419 -10.735 166 HB3 SER 664 1HB SER 664 11.733 0.125 -9.911 167 HG SER 664 HG SER 664 13.720 -0.415 -9.484 168 H GLN 665 H GLN 665 11.514 -3.935 -8.863 169 HA GLN 665 HA GLN 665 9.192 -4.594 -10.421 170 HB2 GLN 665 2HB GLN 665 11.711 -5.725 -9.991 171 HB3 GLN 665 1HB GLN 665 10.580 -6.878 -9.294 172 HG2 GLN 665 2HG GLN 665 10.920 -7.529 -11.533 173 HG3 GLN 665 1HG GLN 665 9.320 -6.795 -11.462 174 HE21 GLN 665 1HE2 GLN 665 12.535 -6.555 -12.691 175 HE22 GLN 665 2HE2 GLN 665 12.257 -5.200 -13.745 176 H TYR 666 H TYR 666 9.753 -4.210 -7.133 177 HA TYR 666 HA TYR 666 7.716 -6.177 -6.366 178 HB2 TYR 666 2HB TYR 666 9.808 -4.676 -4.803 179 HB3 TYR 666 1HB TYR 666 8.467 -5.489 -4.004 180 HD1 TYR 666 1HD TYR 666 8.298 -7.901 -5.832 181 HD2 TYR 666 2HD TYR 666 11.615 -5.963 -4.003 182 HE1 TYR 666 1HE TYR 666 9.552 -10.013 -5.886 183 HE2 TYR 666 2HE TYR 666 12.881 -8.072 -4.054 184 HH TYR 666 HH TYR 666 12.864 -10.199 -5.386 185 H LYS 667 H LYS 667 7.715 -3.147 -7.436 186 HA LYS 667 HA LYS 667 6.250 -1.782 -5.388 187 HB2 LYS 667 2HB LYS 667 6.872 -1.126 -8.265 188 HB3 LYS 667 1HB LYS 667 5.934 -0.067 -7.224 189 HG2 LYS 667 2HG LYS 667 8.037 -0.340 -5.645 190 HG3 LYS 667 1HG LYS 667 8.831 -0.687 -7.184 191 HD2 LYS 667 2HD LYS 667 8.945 1.500 -7.586 192 HD3 LYS 667 1HD LYS 667 7.180 1.565 -7.602 193 HE2 LYS 667 2HE LYS 667 8.021 1.441 -4.899 194 HE3 LYS 667 1HE LYS 667 8.988 2.676 -5.706 195 HZ1 LYS 667 3HZ LYS 667 6.926 3.699 -6.494 196 HZ2 LYS 667 1HZ LYS 667 6.971 3.620 -4.800 197 HZ3 LYS 667 2HZ LYS 667 6.020 2.523 -5.672 198 H MET 668 H MET 668 4.145 -1.745 -5.066 199 HA MET 668 HA MET 668 2.404 -3.052 -7.033 200 HB2 MET 668 2HB MET 668 0.741 -3.011 -5.088 201 HB3 MET 668 1HB MET 668 2.114 -4.101 -4.953 202 HG2 MET 668 2HG MET 668 2.357 -3.221 -2.925 203 HG3 MET 668 1HG MET 668 3.085 -1.857 -3.769 204 HE1 MET 668 3HE MET 668 -0.929 -1.995 -1.607 205 HE2 MET 668 1HE MET 668 -0.468 -3.281 -2.721 206 HE3 MET 668 2HE MET 668 0.513 -2.962 -1.290 207 H ASP 669 H ASP 669 0.632 -2.035 -7.889 208 HA ASP 669 HA ASP 669 0.578 0.882 -7.570 209 HB2 ASP 669 2HB ASP 669 0.855 0.106 -9.863 210 HB3 ASP 669 1HB ASP 669 -0.588 -0.893 -9.728 211 H VAL 670 H VAL 670 -0.879 1.667 -6.217 212 HA VAL 670 HA VAL 670 -3.113 0.034 -5.373 213 HB VAL 670 HB VAL 670 -2.762 2.850 -4.431 214 HG11 VAL 670 1HG1 VAL 670 -3.690 0.260 -3.224 215 HG12 VAL 670 2HG1 VAL 670 -3.375 1.702 -2.258 216 HG13 VAL 670 3HG1 VAL 670 -4.616 1.735 -3.512 217 HG21 VAL 670 3HG2 VAL 670 -0.686 2.542 -3.714 218 HG22 VAL 670 1HG2 VAL 670 -1.268 1.227 -2.689 219 HG23 VAL 670 2HG2 VAL 670 -0.682 0.884 -4.317 220 H THR 671 H THR 671 -4.566 -0.027 -7.026 221 HA THR 671 HA THR 671 -5.582 2.478 -8.137 222 HB THR 671 HB THR 671 -6.813 -0.144 -8.848 223 HG1 THR 671 1HG THR 671 -4.130 0.347 -8.970 224 HG21 THR 671 3HG2 THR 671 -6.292 2.492 -10.094 225 HG22 THR 671 1HG2 THR 671 -7.696 1.435 -10.231 226 HG23 THR 671 2HG2 THR 671 -6.239 1.092 -11.164 227 H VAL 672 H VAL 672 -7.441 3.399 -7.567 228 HA VAL 672 HA VAL 672 -9.006 2.014 -5.484 229 HB VAL 672 HB VAL 672 -9.443 4.859 -5.526 230 HG11 VAL 672 1HG1 VAL 672 -8.057 3.714 -3.228 231 HG12 VAL 672 2HG1 VAL 672 -9.622 4.523 -3.320 232 HG13 VAL 672 3HG1 VAL 672 -9.490 2.808 -3.713 233 HG21 VAL 672 3HG2 VAL 672 -6.891 4.358 -6.290 234 HG22 VAL 672 1HG2 VAL 672 -7.412 5.796 -5.410 235 HG23 VAL 672 2HG2 VAL 672 -6.723 4.428 -4.535 236 H ILE 673 H ILE 673 -11.014 1.496 -5.999 237 HA ILE 673 HA ILE 673 -12.305 2.946 -8.221 238 HB ILE 673 HB ILE 673 -12.985 0.127 -7.402 239 HG12 ILE 673 2HG1 ILE 673 -11.675 -0.170 -9.765 240 HG13 ILE 673 1HG1 ILE 673 -10.735 1.130 -9.034 241 HG21 ILE 673 1HG2 ILE 673 -13.376 0.948 -10.168 242 HG22 ILE 673 2HG2 ILE 673 -14.496 0.176 -9.044 243 HG23 ILE 673 3HG2 ILE 673 -14.286 1.928 -9.016 244 HD11 ILE 673 3HD1 ILE 673 -11.261 -1.593 -7.875 245 HD12 ILE 673 1HD1 ILE 673 -9.730 -0.971 -8.493 246 HD13 ILE 673 2HD1 ILE 673 -10.437 -0.282 -7.032 247 H ASP 674 H ASP 674 -14.352 3.689 -7.954 248 HA ASP 674 HA ASP 674 -15.412 3.895 -5.291 249 HB2 ASP 674 2HB ASP 674 -15.648 5.769 -6.790 250 HB3 ASP 674 1HB ASP 674 -16.469 4.775 -7.985 251 H THR 675 H THR 675 -17.574 3.210 -4.657 252 HA THR 675 HA THR 675 -18.022 0.471 -5.320 253 HB THR 675 HB THR 675 -20.272 1.528 -3.943 254 HG1 THR 675 1HG THR 675 -17.813 2.352 -2.757 255 HG21 THR 675 3HG2 THR 675 -18.569 -0.616 -3.753 256 HG22 THR 675 1HG2 THR 675 -19.841 -0.218 -2.598 257 HG23 THR 675 2HG2 THR 675 -18.186 0.307 -2.301 258 H LYS 676 H LYS 676 -19.192 -0.296 -6.961 259 HA LYS 676 HA LYS 676 -20.780 1.313 -8.650 260 HB2 LYS 676 2HB LYS 676 -19.704 -1.103 -8.968 261 HB3 LYS 676 1HB LYS 676 -21.308 -1.617 -8.464 262 HG2 LYS 676 2HG LYS 676 -21.368 0.453 -10.511 263 HG3 LYS 676 1HG LYS 676 -20.536 -1.014 -11.026 264 HD2 LYS 676 2HD LYS 676 -22.584 -1.783 -11.511 265 HD3 LYS 676 1HD LYS 676 -22.750 -2.018 -9.770 266 HE2 LYS 676 2HE LYS 676 -23.674 0.302 -9.630 267 HE3 LYS 676 1HE LYS 676 -23.662 0.353 -11.392 268 HZ1 LYS 676 3HZ LYS 676 -25.472 -1.019 -9.594 269 HZ2 LYS 676 1HZ LYS 676 -24.970 -1.938 -10.930 270 HZ3 LYS 676 2HZ LYS 676 -25.731 -0.444 -11.169 271 H ASP 677 H ASP 677 -21.703 -1.151 -6.240 272 HA ASP 677 HA ASP 677 -24.419 -0.115 -6.223 273 HB2 ASP 677 2HB ASP 677 -23.482 -2.633 -5.864 274 HB3 ASP 677 1HB ASP 677 -23.631 -2.110 -4.188 275 H GLY 678 H GLY 678 -24.574 1.776 -5.256 276 HA2 GLY 678 1HA GLY 678 -24.709 2.370 -2.680 277 HA3 GLY 678 2HA GLY 678 -22.962 2.385 -2.901 278 H SER 679 H SER 679 -22.178 3.760 -4.750 279 HA SER 679 HA SER 679 -23.334 6.380 -4.489 280 HB2 SER 679 2HB SER 679 -21.272 6.121 -6.535 281 HB3 SER 679 1HB SER 679 -21.262 7.073 -5.050 282 HG SER 679 HG SER 679 -19.695 5.215 -5.328 283 H GLN 680 H GLN 680 -23.239 3.849 -6.907 284 HA GLN 680 HA GLN 680 -24.573 5.537 -8.870 285 HB2 GLN 680 2HB GLN 680 -22.801 3.411 -9.088 286 HB3 GLN 680 1HB GLN 680 -24.348 2.713 -9.546 287 HG2 GLN 680 2HG GLN 680 -23.556 5.312 -10.745 288 HG3 GLN 680 1HG GLN 680 -22.772 3.839 -11.316 289 HE21 GLN 680 1HE2 GLN 680 -23.772 2.672 -12.806 290 HE22 GLN 680 2HE2 GLN 680 -25.421 2.881 -13.298 291 H SER 681 H SER 681 -26.171 5.439 -6.785 292 HA SER 681 HA SER 681 -28.012 3.243 -6.828 293 HB2 SER 681 2HB SER 681 -29.185 5.537 -5.614 294 HB3 SER 681 1HB SER 681 -28.481 4.126 -4.815 295 HG SER 681 HG SER 681 -26.668 5.199 -4.462 296 H LYS 682 H LYS 682 -27.499 5.869 -8.819 297 HA LYS 682 HA LYS 682 -30.094 6.709 -9.477 298 HB2 LYS 682 2HB LYS 682 -28.021 7.929 -10.075 299 HB3 LYS 682 1HB LYS 682 -27.641 6.670 -11.240 300 HG2 LYS 682 2HG LYS 682 -28.686 7.941 -12.729 301 HG3 LYS 682 1HG LYS 682 -30.185 7.420 -11.958 302 HD2 LYS 682 2HD LYS 682 -28.770 9.691 -10.696 303 HD3 LYS 682 1HD LYS 682 -29.509 10.000 -12.270 304 HE2 LYS 682 2HE LYS 682 -31.272 8.504 -10.526 305 HE3 LYS 682 1HE LYS 682 -30.770 10.029 -9.793 306 HZ1 LYS 682 3HZ LYS 682 -32.826 9.861 -11.413 307 HZ2 LYS 682 1HZ LYS 682 -31.624 10.095 -12.588 308 HZ3 LYS 682 2HZ LYS 682 -31.841 11.244 -11.360 309 H LEU 683 H LEU 683 -27.965 4.355 -11.078 310 HA LEU 683 HA LEU 683 -30.262 3.409 -12.638 311 HB2 LEU 683 2HB LEU 683 -27.362 3.489 -13.031 312 HB3 LEU 683 1HB LEU 683 -28.087 1.959 -13.486 313 HG LEU 683 HG LEU 683 -29.759 3.852 -14.643 314 HD11 LEU 683 1HD1 LEU 683 -27.539 4.858 -15.966 315 HD12 LEU 683 2HD1 LEU 683 -28.604 5.735 -14.865 316 HD13 LEU 683 3HD1 LEU 683 -27.128 4.985 -14.254 317 HD21 LEU 683 3HD2 LEU 683 -27.486 2.223 -15.759 318 HD22 LEU 683 1HD2 LEU 683 -29.192 1.782 -15.680 319 HD23 LEU 683 2HD2 LEU 683 -28.665 3.079 -16.751 320 H GLY 684 H GLY 684 -28.871 2.744 -9.758 321 HA2 GLY 684 1HA GLY 684 -29.756 -0.057 -9.885 322 HA3 GLY 684 2HA GLY 684 -28.188 0.333 -9.192 323 H GLY 685 H GLY 685 -31.645 1.088 -8.879 324 HA2 GLY 685 1HA GLY 685 -32.291 0.372 -6.455 325 HA3 GLY 685 2HA GLY 685 -31.211 1.696 -6.043 326 H GLY 901 H GLY 901 -31.777 3.629 -7.786 327 HA2 GLY 901 1HA GLY 901 -33.525 4.964 -8.679 328 HA3 GLY 901 2HA GLY 901 -34.685 4.015 -7.760 329 H GLY 902 H GLY 902 -34.271 4.154 -5.293 330 HA2 GLY 902 1HA GLY 902 -33.043 6.396 -4.153 331 HA3 GLY 902 2HA GLY 902 -34.712 6.821 -4.509 332 H SER 903 H SER 903 -35.554 6.923 -2.500 333 HA SER 903 HA SER 903 -35.185 4.614 -0.731 334 HB2 SER 903 2HB SER 903 -36.368 7.322 -0.089 335 HB3 SER 903 1HB SER 903 -35.927 6.062 1.061 336 HG SER 903 HG SER 903 -34.321 7.694 0.904 337 H GLY 904 H GLY 904 -37.262 4.371 0.749 338 HA2 GLY 904 1HA GLY 904 -39.797 4.708 0.384 339 HA3 GLY 904 2HA GLY 904 -39.474 3.876 -1.130 340 H GLY 905 H GLY 905 -37.553 2.889 1.503 341 HA2 GLY 905 1HA GLY 905 -38.680 1.186 3.104 342 HA3 GLY 905 2HA GLY 905 -39.029 0.356 1.591 343 H HIS 906 H HIS 906 -37.425 -0.624 3.779 344 HA HIS 906 HA HIS 906 -34.678 -0.476 2.871 345 HB2 HIS 906 2HB HIS 906 -36.050 -1.946 5.121 346 HB3 HIS 906 1HB HIS 906 -34.361 -2.237 4.718 347 HD1 HIS 906 1HD HIS 906 -32.741 -0.794 5.973 348 HD2 HIS 906 2HD HIS 906 -36.514 0.938 5.670 349 HE1 HIS 906 1HE HIS 906 -32.644 1.374 7.279 350 H MET 907 H MET 907 -35.101 -1.281 0.732 351 HA MET 907 HA MET 907 -35.888 -4.074 0.494 352 HB2 MET 907 2HB MET 907 -36.136 -3.698 -1.805 353 HB3 MET 907 1HB MET 907 -36.649 -2.186 -1.072 354 HG2 MET 907 2HG MET 907 -34.149 -1.512 -1.461 355 HG3 MET 907 1HG MET 907 -34.216 -2.791 -2.671 356 HE1 MET 907 3HE MET 907 -34.252 -0.069 -5.026 357 HE2 MET 907 1HE MET 907 -33.581 -1.562 -4.369 358 HE3 MET 907 2HE MET 907 -34.968 -1.622 -5.455 359 H GLY 908 H GLY 908 -33.046 -2.298 0.859 360 HA2 GLY 908 1HA GLY 908 -30.899 -3.169 1.107 361 HA3 GLY 908 2HA GLY 908 -31.448 -4.667 0.368 362 H SER 909 H SER 909 -29.057 -3.793 -0.394 363 HA SER 909 HA SER 909 -29.160 -2.124 -2.720 364 HB2 SER 909 2HB SER 909 -26.846 -3.906 -2.467 365 HB3 SER 909 1HB SER 909 -26.912 -2.143 -2.517 366 HG SER 909 HG SER 909 -26.861 -2.075 -0.415 367 H GLY 910 H GLY 910 -27.943 -3.168 -4.761 368 HA2 GLY 910 1HA GLY 910 -29.735 -5.198 -5.754 369 HA3 GLY 910 2HA GLY 910 -28.404 -4.453 -6.634 370 H GLY 911 H GLY 911 -26.328 -4.968 -4.896 371 HA2 GLY 911 1HA GLY 911 -26.269 -7.924 -4.726 372 HA3 GLY 911 2HA GLY 911 -24.889 -6.980 -5.279 373 H LEU 18 H LEU 18 -26.770 -7.973 -2.527 374 HA LEU 18 HA LEU 18 -25.603 -6.139 -0.675 375 HB2 LEU 18 2HB LEU 18 -27.684 -8.093 -0.665 376 HB3 LEU 18 1HB LEU 18 -26.632 -8.387 0.706 377 HG LEU 18 HG LEU 18 -27.440 -5.576 0.309 378 HD11 LEU 18 1HD1 LEU 18 -29.655 -5.765 0.862 379 HD12 LEU 18 2HD1 LEU 18 -29.455 -7.175 -0.176 380 HD13 LEU 18 3HD1 LEU 18 -29.454 -7.364 1.576 381 HD21 LEU 18 3HD2 LEU 18 -27.381 -5.520 2.646 382 HD22 LEU 18 1HD2 LEU 18 -27.606 -7.263 2.783 383 HD23 LEU 18 2HD2 LEU 18 -26.070 -6.614 2.207 384 H SER 19 H SER 19 -24.221 -8.717 -2.187 385 HA SER 19 HA SER 19 -22.583 -9.512 0.086 386 HB2 SER 19 2HB SER 19 -22.358 -10.342 -2.815 387 HB3 SER 19 1HB SER 19 -21.535 -11.087 -1.443 388 HG SER 19 HG SER 19 -24.328 -10.894 -1.372 389 H TRP 20 H TRP 20 -22.636 -7.188 -2.369 390 HA TRP 20 HA TRP 20 -21.148 -5.738 -3.279 391 HB2 TRP 20 2HB TRP 20 -19.594 -5.893 -0.708 392 HB3 TRP 20 1HB TRP 20 -19.894 -4.491 -1.732 393 HD1 TRP 20 HD TRP 20 -22.839 -4.071 -1.861 394 HE1 TRP 20 1HE TRP 20 -24.339 -3.774 0.206 395 HE3 TRP 20 3HE TRP 20 -19.815 -6.225 1.662 396 HZ2 TRP 20 2HZ TRP 20 -24.254 -4.364 2.964 397 HZ3 TRP 20 3HZ TRP 20 -20.601 -6.313 3.992 398 HH2 TRP 20 HH TRP 20 -22.773 -5.401 4.627 399 H LYS 21 H LYS 21 -18.404 -6.432 -1.488 400 HA LYS 21 HA LYS 21 -17.418 -8.420 -3.399 401 HB2 LYS 21 2HB LYS 21 -16.346 -5.711 -2.867 402 HB3 LYS 21 1HB LYS 21 -15.155 -7.004 -2.942 403 HG2 LYS 21 2HG LYS 21 -16.938 -5.936 -5.081 404 HG3 LYS 21 1HG LYS 21 -15.206 -6.259 -5.120 405 HD2 LYS 21 2HD LYS 21 -15.491 -8.457 -5.645 406 HD3 LYS 21 1HD LYS 21 -16.990 -8.593 -4.722 407 HE2 LYS 21 2HE LYS 21 -17.984 -7.071 -6.556 408 HE3 LYS 21 1HE LYS 21 -16.565 -7.532 -7.494 409 HZ1 LYS 21 3HZ LYS 21 -17.448 -9.912 -6.629 410 HZ2 LYS 21 1HZ LYS 21 -17.859 -9.228 -8.126 411 HZ3 LYS 21 2HZ LYS 21 -18.912 -9.074 -6.808 412 H ARG 22 H ARG 22 -15.681 -9.724 -2.532 413 HA ARG 22 HA ARG 22 -15.962 -9.933 0.367 414 HB2 ARG 22 2HB ARG 22 -15.949 -12.157 0.142 415 HB3 ARG 22 1HB ARG 22 -16.251 -11.837 -1.559 416 HG2 ARG 22 2HG ARG 22 -14.389 -12.868 -2.080 417 HG3 ARG 22 1HG ARG 22 -13.459 -11.706 -1.139 418 HD2 ARG 22 2HD ARG 22 -14.208 -13.145 0.888 419 HD3 ARG 22 1HD ARG 22 -14.511 -14.385 -0.331 420 HE ARG 22 HE ARG 22 -11.884 -13.084 0.012 421 HH11 ARG 22 2HH1 ARG 22 -13.873 -15.935 -0.420 422 HH12 ARG 22 1HH1 ARG 22 -12.516 -17.007 -0.616 423 HH21 ARG 22 2HH2 ARG 22 -10.101 -14.486 -0.223 424 HH22 ARG 22 1HH2 ARG 22 -10.372 -16.183 -0.470 425 H CYS 23 H CYS 23 -14.222 -10.123 1.725 426 HA CYS 23 HA CYS 23 -12.100 -8.399 1.225 427 HB2 CYS 23 2HB CYS 23 -12.627 -10.456 3.326 428 HB3 CYS 23 1HB CYS 23 -11.102 -9.593 3.279 429 H ALA 24 H ALA 24 -9.876 -8.734 1.087 430 HA ALA 24 HA ALA 24 -9.035 -11.387 0.112 431 HB1 ALA 24 1HB ALA 24 -7.388 -9.040 -0.604 432 HB2 ALA 24 2HB ALA 24 -7.804 -10.470 -1.549 433 HB3 ALA 24 3HB ALA 24 -8.967 -9.155 -1.383 434 H GLY 25 H GLY 25 -8.673 -8.919 2.421 435 HA2 GLY 25 1HA GLY 25 -6.154 -10.105 3.405 436 HA3 GLY 25 2HA GLY 25 -6.662 -8.451 3.705 437 H CYS 26 H CYS 26 -9.018 -8.435 4.787 438 HA CYS 26 HA CYS 26 -8.707 -9.530 7.353 439 HB2 CYS 26 2HB CYS 26 -11.471 -8.920 6.417 440 HB3 CYS 26 1HB CYS 26 -10.678 -8.496 7.928 441 H GLY 27 H GLY 27 -11.280 -10.364 5.042 442 HA2 GLY 27 1HA GLY 27 -11.344 -12.769 4.361 443 HA3 GLY 27 2HA GLY 27 -11.138 -13.130 6.069 444 H GLY 28 H GLY 28 -13.192 -10.570 4.794 445 HA2 GLY 28 1HA GLY 28 -15.567 -12.208 5.355 446 HA3 GLY 28 2HA GLY 28 -15.386 -10.658 6.167 447 H LYS 29 H LYS 29 -16.841 -9.344 5.278 448 HA LYS 29 HA LYS 29 -16.943 -9.197 2.334 449 HB2 LYS 29 2HB LYS 29 -19.034 -8.430 4.383 450 HB3 LYS 29 1HB LYS 29 -19.178 -8.138 2.655 451 HG2 LYS 29 2HG LYS 29 -18.593 -10.851 2.876 452 HG3 LYS 29 1HG LYS 29 -19.748 -10.522 4.167 453 HD2 LYS 29 2HD LYS 29 -20.161 -9.658 1.311 454 HD3 LYS 29 1HD LYS 29 -20.748 -11.193 1.954 455 HE2 LYS 29 2HE LYS 29 -21.519 -8.420 2.851 456 HE3 LYS 29 1HE LYS 29 -22.537 -9.595 2.024 457 HZ1 LYS 29 3HZ LYS 29 -21.861 -11.014 4.154 458 HZ2 LYS 29 1HZ LYS 29 -23.212 -9.988 4.128 459 HZ3 LYS 29 2HZ LYS 29 -21.761 -9.463 4.831 460 H ILE 30 H ILE 30 -16.467 -7.314 1.356 461 HA ILE 30 HA ILE 30 -15.184 -5.281 2.907 462 HB ILE 30 HB ILE 30 -15.775 -5.568 -0.035 463 HG12 ILE 30 2HG1 ILE 30 -13.089 -5.355 1.292 464 HG13 ILE 30 1HG1 ILE 30 -13.954 -6.889 1.268 465 HG21 ILE 30 1HG2 ILE 30 -14.315 -3.296 1.310 466 HG22 ILE 30 2HG2 ILE 30 -14.430 -3.564 -0.429 467 HG23 ILE 30 3HG2 ILE 30 -15.879 -3.188 0.502 468 HD11 ILE 30 3HD1 ILE 30 -14.087 -6.478 -1.283 469 HD12 ILE 30 1HD1 ILE 30 -12.765 -5.347 -0.990 470 HD13 ILE 30 2HD1 ILE 30 -12.579 -7.050 -0.565 471 H ALA 31 H ALA 31 -16.335 -3.905 4.058 472 HA ALA 31 HA ALA 31 -18.888 -2.927 2.984 473 HB1 ALA 31 1HB ALA 31 -19.748 -3.036 5.045 474 HB2 ALA 31 2HB ALA 31 -18.345 -4.028 5.439 475 HB3 ALA 31 3HB ALA 31 -18.324 -2.298 5.778 476 H ASP 32 H ASP 32 -16.066 -1.985 2.463 477 HA ASP 32 HA ASP 32 -16.048 0.699 3.568 478 HB2 ASP 32 2HB ASP 32 -14.207 -0.872 1.786 479 HB3 ASP 32 1HB ASP 32 -14.052 0.878 1.882 480 H ARG 33 H ARG 33 -15.412 2.412 1.689 481 HA ARG 33 HA ARG 33 -17.654 2.281 -0.190 482 HB2 ARG 33 2HB ARG 33 -16.885 4.333 1.362 483 HB3 ARG 33 1HB ARG 33 -15.936 4.693 -0.073 484 HG2 ARG 33 2HG ARG 33 -18.255 4.279 -1.272 485 HG3 ARG 33 1HG ARG 33 -18.873 4.734 0.316 486 HD2 ARG 33 2HD ARG 33 -18.587 6.862 -0.241 487 HD3 ARG 33 1HD ARG 33 -16.849 6.573 -0.271 488 HE ARG 33 HE ARG 33 -18.007 5.773 -2.722 489 HH11 ARG 33 2HH1 ARG 33 -17.084 8.618 -0.906 490 HH12 ARG 33 1HH1 ARG 33 -16.915 9.621 -2.317 491 HH21 ARG 33 2HH2 ARG 33 -17.739 7.050 -4.576 492 HH22 ARG 33 1HH2 ARG 33 -17.264 8.720 -4.411 493 H PHE 34 H PHE 34 -14.139 2.798 -0.155 494 HA PHE 34 HA PHE 34 -14.189 2.526 -3.066 495 HB2 PHE 34 2HB PHE 34 -12.477 4.014 -1.204 496 HB3 PHE 34 1HB PHE 34 -11.614 3.208 -2.515 497 HD1 PHE 34 1HD PHE 34 -14.798 5.110 -2.114 498 HD2 PHE 34 2HD PHE 34 -11.238 4.514 -4.367 499 HE1 PHE 34 1HE PHE 34 -15.495 6.876 -3.668 500 HE2 PHE 34 2HE PHE 34 -11.925 6.288 -5.926 501 HZ PHE 34 HZ PHE 34 -14.057 7.469 -5.582 502 H LEU 35 H LEU 35 -13.262 0.942 -4.118 503 HA LEU 35 HA LEU 35 -12.191 -1.294 -2.576 504 HB2 LEU 35 2HB LEU 35 -13.477 -0.945 -5.217 505 HB3 LEU 35 1HB LEU 35 -12.214 -2.158 -5.144 506 HG LEU 35 HG LEU 35 -13.798 -2.678 -2.913 507 HD11 LEU 35 1HD1 LEU 35 -16.034 -3.019 -4.115 508 HD12 LEU 35 2HD1 LEU 35 -15.639 -1.390 -3.564 509 HD13 LEU 35 3HD1 LEU 35 -15.448 -1.815 -5.265 510 HD21 LEU 35 3HD2 LEU 35 -13.279 -4.644 -3.807 511 HD22 LEU 35 1HD2 LEU 35 -14.619 -4.404 -4.930 512 HD23 LEU 35 2HD2 LEU 35 -12.985 -3.916 -5.386 513 H LEU 36 H LEU 36 -10.146 -2.108 -2.895 514 HA LEU 36 HA LEU 36 -8.341 -0.236 -4.272 515 HB2 LEU 36 2HB LEU 36 -8.180 -1.613 -1.637 516 HB3 LEU 36 1HB LEU 36 -6.688 -1.318 -2.509 517 HG LEU 36 HG LEU 36 -7.529 1.138 -2.641 518 HD11 LEU 36 1HD1 LEU 36 -9.040 0.228 -0.201 519 HD12 LEU 36 2HD1 LEU 36 -8.984 1.850 -0.893 520 HD13 LEU 36 3HD1 LEU 36 -9.799 0.548 -1.761 521 HD21 LEU 36 3HD2 LEU 36 -6.634 1.479 -0.264 522 HD22 LEU 36 1HD2 LEU 36 -6.421 -0.272 -0.246 523 HD23 LEU 36 2HD2 LEU 36 -5.580 0.707 -1.447 524 H TYR 37 H TYR 37 -7.003 -0.995 -5.745 525 HA TYR 37 HA TYR 37 -6.683 -3.894 -6.099 526 HB2 TYR 37 2HB TYR 37 -6.485 -1.507 -7.840 527 HB3 TYR 37 1HB TYR 37 -5.282 -2.756 -8.134 528 HD1 TYR 37 2HD TYR 37 -6.705 -5.243 -7.791 529 HD2 TYR 37 1HD TYR 37 -8.054 -1.590 -9.498 530 HE1 TYR 37 2HE TYR 37 -8.326 -6.488 -9.161 531 HE2 TYR 37 1HE TYR 37 -9.678 -2.814 -10.867 532 HH TYR 37 HH TYR 37 -10.320 -4.837 -11.595 533 H ALA 38 H ALA 38 -4.971 -4.754 -5.086 534 HA ALA 38 HA ALA 38 -2.625 -3.057 -4.592 535 HB1 ALA 38 1HB ALA 38 -2.004 -4.567 -2.864 536 HB2 ALA 38 2HB ALA 38 -3.727 -4.237 -2.678 537 HB3 ALA 38 3HB ALA 38 -3.195 -5.756 -3.394 538 H MET 39 H MET 39 -3.674 -5.925 -6.257 539 HA MET 39 HA MET 39 -1.230 -6.148 -7.691 540 HB2 MET 39 2HB MET 39 -0.464 -8.289 -6.854 541 HB3 MET 39 1HB MET 39 -0.548 -7.135 -5.533 542 HG2 MET 39 2HG MET 39 -2.589 -8.123 -4.734 543 HG3 MET 39 1HG MET 39 -2.625 -9.230 -6.107 544 HE1 MET 39 3HE MET 39 -0.362 -8.001 -3.154 545 HE2 MET 39 1HE MET 39 -1.722 -8.885 -2.462 546 HE3 MET 39 2HE MET 39 -0.089 -9.531 -2.323 547 H ASP 40 H ASP 40 -4.323 -7.515 -6.778 548 HA ASP 40 HA ASP 40 -5.165 -8.042 -9.379 549 HB2 ASP 40 2HB ASP 40 -4.501 -10.132 -9.894 550 HB3 ASP 40 1HB ASP 40 -3.309 -9.941 -8.617 551 H SER 41 H SER 41 -5.366 -8.651 -5.963 552 HA SER 41 HA SER 41 -8.034 -9.749 -6.125 553 HB2 SER 41 2HB SER 41 -7.232 -9.098 -3.456 554 HB3 SER 41 1HB SER 41 -7.378 -10.694 -4.200 555 HG SER 41 HG SER 41 -5.271 -10.647 -4.772 556 H TYR 42 H TYR 42 -9.757 -8.817 -4.728 557 HA TYR 42 HA TYR 42 -9.829 -5.907 -4.974 558 HB2 TYR 42 2HB TYR 42 -12.058 -7.759 -4.112 559 HB3 TYR 42 1HB TYR 42 -12.207 -6.079 -4.606 560 HD1 TYR 42 1HD TYR 42 -10.709 -5.924 -7.078 561 HD2 TYR 42 2HD TYR 42 -13.191 -9.059 -5.629 562 HE1 TYR 42 1HE TYR 42 -11.133 -6.649 -9.388 563 HE2 TYR 42 2HE TYR 42 -13.620 -9.793 -7.934 564 HH TYR 42 HH TYR 42 -11.873 -8.465 -10.646 565 H TRP 43 H TRP 43 -9.223 -4.728 -3.277 566 HA TRP 43 HA TRP 43 -9.694 -5.831 -0.581 567 HB2 TRP 43 2HB TRP 43 -7.564 -3.779 -1.089 568 HB3 TRP 43 1HB TRP 43 -7.682 -4.944 0.217 569 HD1 TRP 43 HD TRP 43 -7.052 -5.049 -3.615 570 HE1 TRP 43 1HE TRP 43 -5.261 -6.830 -4.063 571 HE3 TRP 43 3HE TRP 43 -6.347 -6.739 1.160 572 HZ2 TRP 43 2HZ TRP 43 -3.732 -8.688 -2.615 573 HZ3 TRP 43 3HZ TRP 43 -4.694 -8.522 1.539 574 HH2 TRP 43 HH TRP 43 -3.417 -9.476 -0.314 575 H HIS 44 H HIS 44 -9.686 -4.023 1.086 576 HA HIS 44 HA HIS 44 -10.533 -1.419 0.011 577 HB2 HIS 44 2HB HIS 44 -12.040 -1.169 2.056 578 HB3 HIS 44 1HB HIS 44 -12.614 -2.271 0.814 579 HD1 HIS 44 1HD HIS 44 -13.380 -2.363 4.006 580 HD2 HIS 44 2HD HIS 44 -10.740 -4.801 1.910 581 HE1 HIS 44 1HE HIS 44 -13.204 -4.585 5.289 582 H SER 45 H SER 45 -10.533 0.076 2.319 583 HA SER 45 HA SER 45 -7.773 0.370 2.790 584 HB2 SER 45 2HB SER 45 -9.912 1.435 4.619 585 HB3 SER 45 1HB SER 45 -8.347 2.147 4.226 586 HG SER 45 HG SER 45 -9.235 3.100 2.596 587 H ARG 46 H ARG 46 -10.207 -1.498 4.395 588 HA ARG 46 HA ARG 46 -8.615 -1.967 6.754 589 HB2 ARG 46 2HB ARG 46 -11.323 -2.290 6.031 590 HB3 ARG 46 1HB ARG 46 -10.718 -3.897 6.407 591 HG2 ARG 46 2HG ARG 46 -10.386 -1.528 8.229 592 HG3 ARG 46 1HG ARG 46 -11.730 -2.670 8.326 593 HD2 ARG 46 2HD ARG 46 -10.218 -4.489 8.757 594 HD3 ARG 46 1HD ARG 46 -8.822 -3.445 8.490 595 HE ARG 46 HE ARG 46 -9.302 -2.338 10.539 596 HH11 ARG 46 2HH1 ARG 46 -11.314 -5.142 9.931 597 HH12 ARG 46 1HH1 ARG 46 -11.772 -5.332 11.599 598 HH21 ARG 46 2HH2 ARG 46 -9.897 -2.587 12.738 599 HH22 ARG 46 1HH2 ARG 46 -10.923 -3.918 13.200 600 H CYS 47 H CYS 47 -9.181 -3.542 3.678 601 HA CYS 47 HA CYS 47 -7.961 -6.042 4.456 602 HB2 CYS 47 2HB CYS 47 -9.293 -4.970 2.082 603 HB3 CYS 47 1HB CYS 47 -7.882 -5.941 1.688 604 H LEU 48 H LEU 48 -7.108 -3.348 2.328 605 HA LEU 48 HA LEU 48 -4.499 -4.379 1.814 606 HB2 LEU 48 2HB LEU 48 -6.226 -2.517 0.643 607 HB3 LEU 48 1HB LEU 48 -4.841 -1.582 1.174 608 HG LEU 48 HG LEU 48 -5.115 -3.275 -1.124 609 HD11 LEU 48 1HD1 LEU 48 -3.828 -1.661 -1.906 610 HD12 LEU 48 2HD1 LEU 48 -3.780 -0.970 -0.283 611 HD13 LEU 48 3HD1 LEU 48 -2.527 -2.100 -0.800 612 HD21 LEU 48 3HD2 LEU 48 -4.082 -4.948 0.489 613 HD22 LEU 48 1HD2 LEU 48 -3.205 -4.653 -1.011 614 HD23 LEU 48 2HD2 LEU 48 -2.657 -3.908 0.492 615 H LYS 49 H LYS 49 -3.626 -4.564 3.870 616 HA LYS 49 HA LYS 49 -2.484 -2.050 4.820 617 HB2 LYS 49 2HB LYS 49 -2.686 -3.349 7.179 618 HB3 LYS 49 1HB LYS 49 -3.876 -2.186 6.622 619 HG2 LYS 49 2HG LYS 49 -5.258 -3.877 7.209 620 HG3 LYS 49 1HG LYS 49 -4.940 -4.346 5.538 621 HD2 LYS 49 2HD LYS 49 -3.480 -6.043 6.162 622 HD3 LYS 49 1HD LYS 49 -3.190 -5.340 7.754 623 HE2 LYS 49 2HE LYS 49 -4.619 -7.411 7.733 624 HE3 LYS 49 1HE LYS 49 -5.322 -6.010 8.539 625 HZ1 LYS 49 3HZ LYS 49 -5.960 -6.969 5.802 626 HZ2 LYS 49 1HZ LYS 49 -6.587 -5.559 6.503 627 HZ3 LYS 49 2HZ LYS 49 -6.960 -7.069 7.168 628 H CYS 50 H CYS 50 -0.608 -2.455 6.216 629 HA CYS 50 HA CYS 50 1.187 -4.272 5.007 630 HB2 CYS 50 2HB CYS 50 1.839 -2.118 6.001 631 HB3 CYS 50 1HB CYS 50 1.386 -2.717 7.589 632 H SER 51 H SER 51 1.797 -6.275 5.604 633 HA SER 51 HA SER 51 0.161 -7.669 7.514 634 HB2 SER 51 2HB SER 51 2.604 -8.876 6.245 635 HB3 SER 51 1HB SER 51 1.065 -9.640 6.647 636 HG SER 51 HG SER 51 0.909 -7.580 4.810 637 H SER 52 H SER 52 2.896 -5.786 7.785 638 HA SER 52 HA SER 52 4.039 -7.392 9.948 639 HB2 SER 52 2HB SER 52 5.545 -5.009 9.378 640 HB3 SER 52 1HB SER 52 6.016 -6.700 9.183 641 HG SER 52 HG SER 52 4.632 -5.059 7.317 642 H CYS 53 H CYS 53 3.064 -3.975 9.345 643 HA CYS 53 HA CYS 53 3.030 -3.660 12.265 644 HB2 CYS 53 2HB CYS 53 3.197 -1.248 11.920 645 HB3 CYS 53 1HB CYS 53 4.524 -2.094 11.142 646 H GLN 54 H GLN 54 1.008 -4.048 9.652 647 HA GLN 54 HA GLN 54 -1.227 -4.084 9.406 648 HB2 GLN 54 2HB GLN 54 -0.756 -4.620 12.141 649 HB3 GLN 54 1HB GLN 54 -2.155 -3.557 12.055 650 HG2 GLN 54 2HG GLN 54 -2.194 -5.729 10.105 651 HG3 GLN 54 1HG GLN 54 -2.199 -6.267 11.781 652 HE21 GLN 54 1HE2 GLN 54 -3.738 -3.720 9.831 653 HE22 GLN 54 2HE2 GLN 54 -5.330 -3.958 10.468 654 H ALA 55 H ALA 55 0.249 -1.493 9.414 655 HA ALA 55 HA ALA 55 -1.686 0.468 10.233 656 HB1 ALA 55 1HB ALA 55 0.683 1.049 10.057 657 HB2 ALA 55 2HB ALA 55 0.653 0.699 8.331 658 HB3 ALA 55 3HB ALA 55 -0.284 2.047 8.974 659 H GLN 56 H GLN 56 -2.938 1.791 8.751 660 HA GLN 56 HA GLN 56 -4.167 0.230 6.682 661 HB2 GLN 56 2HB GLN 56 -4.626 2.884 7.924 662 HB3 GLN 56 1HB GLN 56 -5.198 2.690 6.271 663 HG2 GLN 56 2HG GLN 56 -6.384 0.614 7.044 664 HG3 GLN 56 1HG GLN 56 -5.980 1.091 8.690 665 HE21 GLN 56 1HE2 GLN 56 -6.576 3.635 6.476 666 HE22 GLN 56 2HE2 GLN 56 -8.163 4.036 7.025 667 H LEU 57 H LEU 57 -2.112 -0.100 5.618 668 HA LEU 57 HA LEU 57 -0.571 1.976 4.514 669 HB2 LEU 57 2HB LEU 57 0.589 0.035 4.923 670 HB3 LEU 57 1HB LEU 57 -0.709 -0.991 4.352 671 HG LEU 57 HG LEU 57 -0.086 -0.092 2.010 672 HD11 LEU 57 1HD1 LEU 57 2.618 0.243 3.226 673 HD12 LEU 57 2HD1 LEU 57 1.985 0.869 1.701 674 HD13 LEU 57 3HD1 LEU 57 1.488 1.598 3.229 675 HD21 LEU 57 3HD2 LEU 57 2.108 -1.736 2.407 676 HD22 LEU 57 1HD2 LEU 57 0.969 -2.222 3.664 677 HD23 LEU 57 2HD2 LEU 57 0.477 -2.245 1.969 678 H GLY 58 H GLY 58 -3.386 0.320 3.352 679 HA2 GLY 58 1HA GLY 58 -2.934 0.913 0.579 680 HA3 GLY 58 2HA GLY 58 -4.420 0.298 1.289 681 H ASP 59 H ASP 59 -4.224 2.658 3.244 682 HA ASP 59 HA ASP 59 -5.739 4.449 1.508 683 HB2 ASP 59 2HB ASP 59 -6.327 3.525 3.997 684 HB3 ASP 59 1HB ASP 59 -5.576 5.067 4.396 685 H ILE 60 H ILE 60 -2.706 4.155 1.951 686 HA ILE 60 HA ILE 60 -2.211 7.051 1.982 687 HB ILE 60 HB ILE 60 -0.042 5.246 2.943 688 HG12 ILE 60 2HG1 ILE 60 -1.966 6.344 4.960 689 HG13 ILE 60 1HG1 ILE 60 -2.303 4.791 4.200 690 HG21 ILE 60 1HG2 ILE 60 0.409 7.272 4.368 691 HG22 ILE 60 2HG2 ILE 60 0.542 7.517 2.625 692 HG23 ILE 60 3HG2 ILE 60 -0.890 8.079 3.488 693 HD11 ILE 60 3HD1 ILE 60 -0.825 5.156 6.457 694 HD12 ILE 60 1HD1 ILE 60 -0.755 3.739 5.407 695 HD13 ILE 60 2HD1 ILE 60 0.420 5.040 5.215 696 H GLY 61 H GLY 61 -0.834 7.778 0.409 697 HA2 GLY 61 1HA GLY 61 -0.222 5.995 -1.765 698 HA3 GLY 61 2HA GLY 61 0.201 7.699 -1.664 699 H THR 62 H THR 62 1.045 4.621 -0.119 700 HA THR 62 HA THR 62 3.781 5.566 0.291 701 HB THR 62 HB THR 62 2.802 2.895 1.237 702 HG1 THR 62 1HG THR 62 1.260 3.843 2.331 703 HG21 THR 62 3HG2 THR 62 5.173 3.871 1.541 704 HG22 THR 62 1HG2 THR 62 4.378 3.157 2.944 705 HG23 THR 62 2HG2 THR 62 4.429 4.910 2.756 706 H SER 63 H SER 63 5.603 4.322 -0.392 707 HA SER 63 HA SER 63 5.185 2.795 -2.814 708 HB2 SER 63 2HB SER 63 7.560 3.838 -1.318 709 HB3 SER 63 1HB SER 63 7.794 2.528 -2.473 710 HG SER 63 HG SER 63 7.187 5.197 -2.903 711 H SER 64 H SER 64 3.845 1.273 -1.433 712 HA SER 64 HA SER 64 5.145 -0.534 0.329 713 HB2 SER 64 2HB SER 64 2.807 -1.722 -0.779 714 HB3 SER 64 1HB SER 64 2.996 -0.957 0.804 715 HG SER 64 HG SER 64 1.689 -0.058 -1.389 716 H TYR 65 H TYR 65 5.608 -2.733 -0.019 717 HA TYR 65 HA TYR 65 6.065 -3.443 -2.840 718 HB2 TYR 65 2HB TYR 65 7.870 -4.175 -0.526 719 HB3 TYR 65 1HB TYR 65 8.149 -4.513 -2.231 720 HD1 TYR 65 1HD TYR 65 8.350 -2.439 -3.791 721 HD2 TYR 65 2HD TYR 65 8.769 -2.269 0.433 722 HE1 TYR 65 1HE TYR 65 9.588 -0.326 -4.007 723 HE2 TYR 65 2HE TYR 65 10.013 -0.159 0.233 724 HH TYR 65 HH TYR 65 11.001 1.108 -2.888 725 H THR 66 H THR 66 5.857 -5.619 -3.372 726 HA THR 66 HA THR 66 4.523 -7.240 -1.319 727 HB THR 66 HB THR 66 3.513 -6.394 -3.821 728 HG1 THR 66 1HG THR 66 2.715 -7.822 -1.604 729 HG21 THR 66 3HG2 THR 66 4.389 -8.094 -5.123 730 HG22 THR 66 1HG2 THR 66 2.839 -8.774 -4.629 731 HG23 THR 66 2HG2 THR 66 4.321 -9.276 -3.815 732 H LYS 67 H LYS 67 5.192 -9.297 -1.024 733 HA LYS 67 HA LYS 67 6.924 -10.626 -2.910 734 HB2 LYS 67 2HB LYS 67 8.231 -9.020 -1.169 735 HB3 LYS 67 1HB LYS 67 8.125 -10.483 -0.201 736 HG2 LYS 67 2HG LYS 67 8.970 -11.308 -2.742 737 HG3 LYS 67 1HG LYS 67 9.895 -9.854 -2.362 738 HD2 LYS 67 2HD LYS 67 10.349 -10.921 -0.101 739 HD3 LYS 67 1HD LYS 67 9.720 -12.415 -0.798 740 HE2 LYS 67 2HE LYS 67 11.801 -10.954 -2.327 741 HE3 LYS 67 1HE LYS 67 12.308 -11.785 -0.857 742 HZ1 LYS 67 3HZ LYS 67 12.561 -13.275 -2.674 743 HZ2 LYS 67 1HZ LYS 67 10.985 -12.980 -3.232 744 HZ3 LYS 67 2HZ LYS 67 11.224 -13.813 -1.772 745 H SER 68 H SER 68 6.638 -12.766 -2.786 746 HA SER 68 HA SER 68 5.779 -14.772 -2.179 747 HB2 SER 68 2HB SER 68 6.209 -13.915 0.688 748 HB3 SER 68 1HB SER 68 6.278 -15.547 0.017 749 HG SER 68 HG SER 68 8.022 -14.096 -1.335 750 H GLY 69 H GLY 69 3.939 -12.680 -2.625 751 HA2 GLY 69 1HA GLY 69 1.659 -12.412 -2.540 752 HA3 GLY 69 2HA GLY 69 1.583 -13.889 -1.593 753 H MET 70 H MET 70 3.611 -11.411 -0.358 754 HA MET 70 HA MET 70 1.544 -10.766 1.642 755 HB2 MET 70 2HB MET 70 4.414 -11.365 1.844 756 HB3 MET 70 1HB MET 70 3.917 -9.949 2.760 757 HG2 MET 70 2HG MET 70 2.056 -11.461 3.687 758 HG3 MET 70 1HG MET 70 3.031 -12.790 3.066 759 HE1 MET 70 3HE MET 70 6.412 -12.220 4.917 760 HE2 MET 70 1HE MET 70 5.443 -13.606 4.412 761 HE3 MET 70 2HE MET 70 5.735 -12.276 3.291 762 H ILE 71 H ILE 71 1.369 -8.615 2.379 763 HA ILE 71 HA ILE 71 2.465 -6.613 0.513 764 HB ILE 71 HB ILE 71 0.189 -5.571 1.900 765 HG12 ILE 71 2HG1 ILE 71 -1.350 -7.246 0.411 766 HG13 ILE 71 1HG1 ILE 71 -0.093 -8.359 0.946 767 HG21 ILE 71 1HG2 ILE 71 0.263 -6.293 -1.004 768 HG22 ILE 71 2HG2 ILE 71 -0.467 -4.889 -0.223 769 HG23 ILE 71 3HG2 ILE 71 1.287 -5.011 -0.359 770 HD11 ILE 71 3HD1 ILE 71 -0.637 -7.217 3.284 771 HD12 ILE 71 1HD1 ILE 71 -2.199 -6.986 2.495 772 HD13 ILE 71 2HD1 ILE 71 -1.529 -8.609 2.667 773 H LEU 72 H LEU 72 3.960 -5.418 1.446 774 HA LEU 72 HA LEU 72 3.758 -4.889 4.342 775 HB2 LEU 72 2HB LEU 72 5.946 -6.007 2.698 776 HB3 LEU 72 1HB LEU 72 6.427 -4.789 3.862 777 HG LEU 72 HG LEU 72 5.369 -6.154 5.655 778 HD11 LEU 72 1HD1 LEU 72 3.953 -7.411 3.829 779 HD12 LEU 72 2HD1 LEU 72 5.336 -8.509 3.853 780 HD13 LEU 72 3HD1 LEU 72 4.432 -8.195 5.336 781 HD21 LEU 72 3HD2 LEU 72 7.522 -6.677 5.859 782 HD22 LEU 72 1HD2 LEU 72 7.125 -8.171 5.012 783 HD23 LEU 72 2HD2 LEU 72 7.744 -6.785 4.113 784 H CYS 73 H CYS 73 4.479 -2.823 5.037 785 HA CYS 73 HA CYS 73 4.387 -0.787 3.046 786 HB2 CYS 73 2HB CYS 73 4.664 0.812 4.821 787 HB3 CYS 73 1HB CYS 73 3.551 -0.430 5.364 788 H ARG 74 H ARG 74 6.152 0.955 3.067 789 HA ARG 74 HA ARG 74 8.170 -0.065 1.512 790 HB2 ARG 74 2HB ARG 74 7.295 2.358 1.835 791 HB3 ARG 74 1HB ARG 74 8.560 2.479 3.050 792 HG2 ARG 74 2HG ARG 74 9.922 1.445 0.935 793 HG3 ARG 74 1HG ARG 74 8.738 2.479 0.134 794 HD2 ARG 74 2HD ARG 74 9.891 4.291 0.692 795 HD3 ARG 74 1HD ARG 74 9.814 3.850 2.398 796 HE ARG 74 HE ARG 74 11.832 2.483 0.813 797 HH11 ARG 74 2HH1 ARG 74 11.077 5.133 2.983 798 HH12 ARG 74 1HH1 ARG 74 12.729 5.362 3.473 799 HH21 ARG 74 2HH2 ARG 74 13.989 2.803 1.421 800 HH22 ARG 74 1HH2 ARG 74 14.401 4.056 2.552 801 H ASN 75 H ASN 75 8.488 1.065 4.875 802 HA ASN 75 HA ASN 75 11.263 0.298 4.975 803 HB2 ASN 75 2HB ASN 75 10.378 2.259 6.201 804 HB3 ASN 75 1HB ASN 75 9.427 1.180 7.215 805 HD21 ASN 75 1HD2 ASN 75 10.308 0.491 9.035 806 HD22 ASN 75 2HD2 ASN 75 11.989 0.610 9.442 807 H ASP 76 H ASP 76 8.252 -1.221 5.745 808 HA ASP 76 HA ASP 76 9.350 -3.010 7.711 809 HB2 ASP 76 2HB ASP 76 6.715 -2.402 6.650 810 HB3 ASP 76 1HB ASP 76 6.962 -4.131 6.880 811 H TYR 77 H TYR 77 8.861 -3.079 4.258 812 HA TYR 77 HA TYR 77 9.096 -5.844 3.874 813 HB2 TYR 77 2HB TYR 77 8.534 -4.572 1.950 814 HB3 TYR 77 1HB TYR 77 9.943 -3.526 2.137 815 HD1 TYR 77 2HD TYR 77 9.421 -7.235 1.984 816 HD2 TYR 77 1HD TYR 77 11.498 -3.846 0.466 817 HE1 TYR 77 2HE TYR 77 10.732 -8.702 0.506 818 HE2 TYR 77 1HE TYR 77 12.820 -5.309 -1.002 819 HH TYR 77 HH TYR 77 13.552 -7.724 -0.988 820 H ILE 78 H ILE 78 11.580 -3.327 4.113 821 HA ILE 78 HA ILE 78 13.797 -5.084 3.891 822 HB ILE 78 HB ILE 78 14.017 -2.543 5.448 823 HG12 ILE 78 2HG1 ILE 78 14.109 -2.333 2.484 824 HG13 ILE 78 1HG1 ILE 78 12.514 -2.434 3.222 825 HG21 ILE 78 1HG2 ILE 78 15.801 -3.290 3.208 826 HG22 ILE 78 2HG2 ILE 78 16.182 -2.564 4.769 827 HG23 ILE 78 3HG2 ILE 78 15.848 -4.291 4.659 828 HD11 ILE 78 3HD1 ILE 78 12.690 -0.392 4.203 829 HD12 ILE 78 1HD1 ILE 78 14.443 -0.493 4.358 830 HD13 ILE 78 2HD1 ILE 78 13.717 -0.130 2.791 831 H ARG 79 H ARG 79 11.745 -4.099 6.498 832 HA ARG 79 HA ARG 79 13.326 -4.920 8.682 833 HB2 ARG 79 2HB ARG 79 10.645 -3.978 8.250 834 HB3 ARG 79 1HB ARG 79 10.598 -5.386 9.300 835 HG2 ARG 79 2HG ARG 79 10.740 -3.519 10.718 836 HG3 ARG 79 1HG ARG 79 12.347 -4.244 10.709 837 HD2 ARG 79 2HD ARG 79 11.992 -2.250 8.619 838 HD3 ARG 79 1HD ARG 79 11.756 -1.600 10.240 839 HE ARG 79 HE ARG 79 13.992 -2.637 10.753 840 HH11 ARG 79 2HH1 ARG 79 13.138 -1.510 7.541 841 HH12 ARG 79 1HH1 ARG 79 14.793 -1.288 7.046 842 HH21 ARG 79 2HH2 ARG 79 16.141 -2.368 10.111 843 HH22 ARG 79 1HH2 ARG 79 16.511 -1.803 8.508 844 H LEU 80 H LEU 80 10.923 -6.612 6.701 845 HA LEU 80 HA LEU 80 11.275 -9.060 8.198 846 HB2 LEU 80 2HB LEU 80 9.455 -8.070 6.110 847 HB3 LEU 80 1HB LEU 80 9.853 -9.775 5.988 848 HG LEU 80 HG LEU 80 9.203 -9.863 8.507 849 HD11 LEU 80 1HD1 LEU 80 7.952 -8.194 9.412 850 HD12 LEU 80 2HD1 LEU 80 8.998 -7.235 8.364 851 HD13 LEU 80 3HD1 LEU 80 7.362 -7.635 7.847 852 HD21 LEU 80 3HD2 LEU 80 7.772 -10.209 6.081 853 HD22 LEU 80 1HD2 LEU 80 7.538 -11.029 7.625 854 HD23 LEU 80 2HD2 LEU 80 6.669 -9.535 7.279 855 H PHE 81 H PHE 81 11.769 -8.094 4.805 856 HA PHE 81 HA PHE 81 13.528 -10.434 4.496 857 HB2 PHE 81 2HB PHE 81 12.014 -8.832 2.421 858 HB3 PHE 81 1HB PHE 81 13.118 -10.152 2.053 859 HD1 PHE 81 2HD PHE 81 12.537 -12.467 2.723 860 HD2 PHE 81 1HD PHE 81 9.798 -9.237 3.130 861 HE1 PHE 81 2HE PHE 81 10.680 -14.072 2.915 862 HE2 PHE 81 1HE PHE 81 7.937 -10.837 3.322 863 HZ PHE 81 HZ PHE 81 8.378 -13.255 3.217 864 H GLY 82 H GLY 82 13.492 -7.861 2.195 865 HA2 GLY 82 1HA GLY 82 15.101 -6.008 2.223 866 HA3 GLY 82 2HA GLY 82 16.223 -7.110 3.018 Start of MODEL 8 1 H SER 641 1H SER 641 47.892 28.445 -18.527 2 HA SER 641 HA SER 641 48.373 26.716 -19.776 3 HB2 SER 641 2HB SER 641 49.855 25.039 -18.060 4 HB3 SER 641 1HB SER 641 50.480 26.314 -19.108 5 HG SER 641 HG SER 641 50.238 26.253 -16.391 6 H LEU 642 H LEU 642 45.882 26.312 -19.184 7 HA LEU 642 HA LEU 642 45.720 23.426 -18.711 8 HB2 LEU 642 2HB LEU 642 44.906 25.229 -16.792 9 HB3 LEU 642 1HB LEU 642 43.417 24.892 -17.656 10 HG LEU 642 HG LEU 642 44.936 22.480 -16.999 11 HD11 LEU 642 1HD1 LEU 642 43.877 24.219 -14.780 12 HD12 LEU 642 2HD1 LEU 642 44.347 22.527 -14.610 13 HD13 LEU 642 3HD1 LEU 642 45.554 23.737 -15.037 14 HD21 LEU 642 3HD2 LEU 642 42.737 22.242 -17.814 15 HD22 LEU 642 1HD2 LEU 642 42.651 21.873 -16.091 16 HD23 LEU 642 2HD2 LEU 642 42.106 23.441 -16.687 17 H GLN 643 H GLN 643 44.551 22.435 -20.200 18 HA GLN 643 HA GLN 643 42.429 23.806 -21.616 19 HB2 GLN 643 2HB GLN 643 44.839 24.133 -22.707 20 HB3 GLN 643 1HB GLN 643 44.491 22.538 -23.358 21 HG2 GLN 643 2HG GLN 643 42.393 24.606 -23.623 22 HG3 GLN 643 1HG GLN 643 43.839 24.775 -24.616 23 HE21 GLN 643 1HE2 GLN 643 44.429 22.132 -25.128 24 HE22 GLN 643 2HE2 GLN 643 43.167 21.455 -26.116 25 H ASN 644 H ASN 644 40.965 22.406 -22.526 26 HA ASN 644 HA ASN 644 39.824 20.492 -22.918 27 HB2 ASN 644 2HB ASN 644 42.489 19.992 -23.842 28 HB3 ASN 644 1HB ASN 644 41.851 18.511 -23.132 29 HD21 ASN 644 1HD2 ASN 644 41.079 21.083 -25.421 30 HD22 ASN 644 2HD2 ASN 644 40.142 20.095 -26.489 31 H ASN 645 H ASN 645 39.607 21.015 -20.443 32 HA ASN 645 HA ASN 645 40.608 19.007 -18.660 33 HB2 ASN 645 2HB ASN 645 39.828 21.396 -18.079 34 HB3 ASN 645 1HB ASN 645 38.196 20.740 -18.145 35 HD21 ASN 645 1HD2 ASN 645 37.415 19.736 -16.399 36 HD22 ASN 645 2HD2 ASN 645 38.341 19.318 -14.994 37 H GLN 646 H GLN 646 40.025 17.052 -19.658 38 HA GLN 646 HA GLN 646 37.219 16.447 -20.065 39 HB2 GLN 646 2HB GLN 646 39.225 15.616 -21.488 40 HB3 GLN 646 1HB GLN 646 39.449 14.435 -20.205 41 HG2 GLN 646 2HG GLN 646 36.696 14.559 -21.080 42 HG3 GLN 646 1HG GLN 646 37.793 14.207 -22.413 43 HE21 GLN 646 1HE2 GLN 646 39.526 13.055 -20.043 44 HE22 GLN 646 2HE2 GLN 646 38.922 11.441 -19.913 45 H ASP 647 H ASP 647 35.972 15.839 -18.463 46 HA ASP 647 HA ASP 647 37.132 14.698 -16.033 47 HB2 ASP 647 2HB ASP 647 35.278 16.592 -16.235 48 HB3 ASP 647 1HB ASP 647 34.205 15.202 -16.342 49 H VAL 648 H VAL 648 36.059 12.808 -15.053 50 HA VAL 648 HA VAL 648 35.195 10.940 -17.162 51 HB VAL 648 HB VAL 648 37.299 10.176 -16.369 52 HG11 VAL 648 1HG1 VAL 648 37.325 11.529 -14.289 53 HG12 VAL 648 2HG1 VAL 648 36.283 10.319 -13.541 54 HG13 VAL 648 3HG1 VAL 648 37.905 9.876 -14.074 55 HG21 VAL 648 3HG2 VAL 648 36.090 8.258 -14.670 56 HG22 VAL 648 1HG2 VAL 648 34.925 8.677 -15.926 57 HG23 VAL 648 2HG2 VAL 648 36.530 8.095 -16.371 58 H SER 649 H SER 649 33.200 10.239 -17.038 59 HA SER 649 HA SER 649 31.534 10.848 -14.789 60 HB2 SER 649 2HB SER 649 30.426 8.998 -16.762 61 HB3 SER 649 1HB SER 649 29.864 10.604 -16.291 62 HG SER 649 HG SER 649 31.310 11.523 -17.720 63 H PHE 650 H PHE 650 32.353 9.677 -13.055 64 HA PHE 650 HA PHE 650 33.011 6.927 -13.156 65 HB2 PHE 650 2HB PHE 650 33.338 8.977 -11.341 66 HB3 PHE 650 1HB PHE 650 32.190 7.914 -10.532 67 HD1 PHE 650 1HD PHE 650 35.553 8.092 -12.035 68 HD2 PHE 650 2HD PHE 650 32.862 5.830 -9.637 69 HE1 PHE 650 1HE PHE 650 37.399 6.607 -11.365 70 HE2 PHE 650 2HE PHE 650 34.702 4.343 -8.968 71 HZ PHE 650 HZ PHE 650 36.973 4.732 -9.828 72 H GLU 651 H GLU 651 30.021 8.585 -12.838 73 HA GLU 651 HA GLU 651 28.587 6.457 -11.568 74 HB2 GLU 651 2HB GLU 651 27.658 8.909 -13.072 75 HB3 GLU 651 1HB GLU 651 26.568 7.778 -12.280 76 HG2 GLU 651 2HG GLU 651 26.869 9.614 -10.817 77 HG3 GLU 651 1HG GLU 651 27.762 8.256 -10.134 78 H ASN 652 H ASN 652 29.679 7.037 -14.735 79 HA ASN 652 HA ASN 652 27.646 5.699 -16.205 80 HB2 ASN 652 2HB ASN 652 29.868 7.170 -16.872 81 HB3 ASN 652 1HB ASN 652 30.359 5.541 -17.321 82 HD21 ASN 652 1HD2 ASN 652 29.775 4.839 -19.245 83 HD22 ASN 652 2HD2 ASN 652 28.530 5.522 -20.234 84 H ILE 653 H ILE 653 30.422 4.648 -14.409 85 HA ILE 653 HA ILE 653 29.962 1.881 -15.302 86 HB ILE 653 HB ILE 653 32.204 1.440 -14.184 87 HG12 ILE 653 2HG1 ILE 653 33.350 3.984 -14.536 88 HG13 ILE 653 1HG1 ILE 653 31.884 4.258 -13.599 89 HG21 ILE 653 1HG2 ILE 653 32.251 1.370 -16.486 90 HG22 ILE 653 2HG2 ILE 653 31.767 3.057 -16.648 91 HG23 ILE 653 3HG2 ILE 653 33.412 2.657 -16.152 92 HD11 ILE 653 3HD1 ILE 653 32.798 3.414 -11.764 93 HD12 ILE 653 1HD1 ILE 653 33.412 2.000 -12.618 94 HD13 ILE 653 2HD1 ILE 653 34.339 3.500 -12.616 95 H GLN 654 H GLN 654 28.626 3.648 -13.244 96 HA GLN 654 HA GLN 654 28.801 1.762 -10.988 97 HB2 GLN 654 2HB GLN 654 29.115 4.646 -11.037 98 HB3 GLN 654 1HB GLN 654 27.832 4.152 -9.941 99 HG2 GLN 654 2HG GLN 654 29.386 2.682 -8.788 100 HG3 GLN 654 1HG GLN 654 30.657 3.145 -9.919 101 HE21 GLN 654 1HE2 GLN 654 30.938 5.586 -10.083 102 HE22 GLN 654 2HE2 GLN 654 30.992 6.450 -8.581 103 H TRP 655 H TRP 655 27.077 1.664 -13.269 104 HA TRP 655 HA TRP 655 24.488 2.597 -12.504 105 HB2 TRP 655 2HB TRP 655 23.726 1.082 -14.403 106 HB3 TRP 655 1HB TRP 655 24.817 2.388 -14.842 107 HD1 TRP 655 HD TRP 655 27.553 1.504 -14.984 108 HE1 TRP 655 1HE TRP 655 28.410 -0.639 -16.125 109 HE3 TRP 655 3HE TRP 655 23.196 -1.171 -15.060 110 HZ2 TRP 655 2HZ TRP 655 27.375 -3.123 -16.949 111 HZ3 TRP 655 3HZ TRP 655 23.219 -3.425 -16.047 112 HH2 TRP 655 HH TRP 655 25.264 -4.380 -16.972 113 H SER 656 H SER 656 22.823 1.451 -11.604 114 HA SER 656 HA SER 656 23.558 -0.567 -9.764 115 HB2 SER 656 2HB SER 656 20.708 -0.369 -10.183 116 HB3 SER 656 1HB SER 656 21.666 0.114 -8.782 117 HG SER 656 HG SER 656 20.458 1.705 -10.464 118 H ILE 657 H ILE 657 23.703 -2.687 -10.057 119 HA ILE 657 HA ILE 657 22.145 -3.905 -12.246 120 HB ILE 657 HB ILE 657 24.506 -5.431 -11.464 121 HG12 ILE 657 2HG1 ILE 657 25.633 -3.538 -13.215 122 HG13 ILE 657 1HG1 ILE 657 24.855 -2.601 -11.942 123 HG21 ILE 657 1HG2 ILE 657 24.497 -6.061 -13.642 124 HG22 ILE 657 2HG2 ILE 657 22.825 -5.519 -13.507 125 HG23 ILE 657 3HG2 ILE 657 24.039 -4.461 -14.226 126 HD11 ILE 657 3HD1 ILE 657 26.150 -4.515 -10.509 127 HD12 ILE 657 1HD1 ILE 657 27.251 -4.263 -11.865 128 HD13 ILE 657 2HD1 ILE 657 26.772 -2.901 -10.851 129 H ASP 658 H ASP 658 22.513 -3.735 -8.986 130 HA ASP 658 HA ASP 658 22.177 -6.531 -8.365 131 HB2 ASP 658 2HB ASP 658 23.351 -5.205 -6.745 132 HB3 ASP 658 1HB ASP 658 22.025 -4.053 -6.646 133 HA PRO 659 HA PRO 659 17.763 -6.290 -9.028 134 HB2 PRO 659 2HB PRO 659 17.704 -9.131 -8.462 135 HB3 PRO 659 1HB PRO 659 17.463 -8.309 -10.005 136 HG2 PRO 659 2HG PRO 659 19.632 -9.872 -9.451 137 HG3 PRO 659 1HG PRO 659 19.657 -8.532 -10.610 138 HD2 PRO 659 2HD PRO 659 20.643 -8.611 -7.784 139 HD3 PRO 659 1HD PRO 659 21.370 -7.845 -9.213 140 H GLY 660 H GLY 660 19.474 -7.002 -6.223 141 HA2 GLY 660 1HA GLY 660 17.258 -7.867 -4.599 142 HA3 GLY 660 2HA GLY 660 18.861 -7.426 -4.032 143 H ALA 661 H ALA 661 19.170 -4.882 -4.831 144 HA ALA 661 HA ALA 661 17.435 -3.457 -3.039 145 HB1 ALA 661 1HB ALA 661 19.536 -2.361 -4.908 146 HB2 ALA 661 2HB ALA 661 18.813 -1.532 -3.528 147 HB3 ALA 661 3HB ALA 661 19.839 -2.942 -3.271 148 H ASP 662 H ASP 662 17.135 -4.359 -6.237 149 HA ASP 662 HA ASP 662 15.588 -2.013 -7.012 150 HB2 ASP 662 2HB ASP 662 17.233 -3.304 -8.559 151 HB3 ASP 662 1HB ASP 662 15.915 -4.464 -8.715 152 H LEU 663 H LEU 663 13.871 -2.264 -5.542 153 HA LEU 663 HA LEU 663 12.162 -4.602 -5.966 154 HB2 LEU 663 2HB LEU 663 11.096 -2.806 -4.009 155 HB3 LEU 663 1HB LEU 663 11.633 -4.462 -3.813 156 HG LEU 663 HG LEU 663 13.795 -2.465 -3.903 157 HD11 LEU 663 1HD1 LEU 663 12.303 -1.115 -2.662 158 HD12 LEU 663 2HD1 LEU 663 11.729 -2.492 -1.718 159 HD13 LEU 663 3HD1 LEU 663 13.370 -1.885 -1.485 160 HD21 LEU 663 3HD2 LEU 663 13.993 -3.987 -1.615 161 HD22 LEU 663 1HD2 LEU 663 13.196 -5.071 -2.756 162 HD23 LEU 663 2HD2 LEU 663 14.749 -4.345 -3.170 163 H SER 664 H SER 664 12.496 -2.320 -7.837 164 HA SER 664 HA SER 664 10.221 -0.661 -7.738 165 HB2 SER 664 2HB SER 664 11.407 -1.270 -10.386 166 HB3 SER 664 1HB SER 664 11.088 0.290 -9.619 167 HG SER 664 HG SER 664 13.342 -1.353 -9.487 168 H GLN 665 H GLN 665 10.791 -3.832 -9.125 169 HA GLN 665 HA GLN 665 8.185 -3.902 -10.407 170 HB2 GLN 665 2HB GLN 665 10.098 -6.208 -10.015 171 HB3 GLN 665 1HB GLN 665 8.769 -6.110 -11.159 172 HG2 GLN 665 2HG GLN 665 10.603 -5.749 -12.495 173 HG3 GLN 665 1HG GLN 665 10.074 -4.105 -12.137 174 HE21 GLN 665 1HE2 GLN 665 11.688 -2.811 -11.769 175 HE22 GLN 665 2HE2 GLN 665 13.162 -3.203 -10.925 176 H TYR 666 H TYR 666 9.393 -4.333 -7.335 177 HA TYR 666 HA TYR 666 7.516 -6.419 -6.549 178 HB2 TYR 666 2HB TYR 666 9.737 -4.967 -5.123 179 HB3 TYR 666 1HB TYR 666 8.576 -5.956 -4.244 180 HD1 TYR 666 2HD TYR 666 8.216 -8.287 -5.935 181 HD2 TYR 666 1HD TYR 666 11.754 -6.074 -5.112 182 HE1 TYR 666 2HE TYR 666 9.571 -10.286 -6.402 183 HE2 TYR 666 1HE TYR 666 13.117 -8.062 -5.578 184 HH TYR 666 HH TYR 666 13.065 -10.130 -6.606 185 H LYS 667 H LYS 667 7.442 -3.147 -6.985 186 HA LYS 667 HA LYS 667 5.877 -2.427 -4.688 187 HB2 LYS 667 2HB LYS 667 6.191 -0.293 -5.356 188 HB3 LYS 667 1HB LYS 667 7.406 -0.992 -6.411 189 HG2 LYS 667 2HG LYS 667 6.266 -0.472 -8.259 190 HG3 LYS 667 1HG LYS 667 4.720 -0.960 -7.564 191 HD2 LYS 667 2HD LYS 667 4.184 1.159 -7.130 192 HD3 LYS 667 1HD LYS 667 5.694 1.407 -6.252 193 HE2 LYS 667 2HE LYS 667 5.817 1.354 -9.215 194 HE3 LYS 667 1HE LYS 667 5.087 2.764 -8.453 195 HZ1 LYS 667 3HZ LYS 667 7.225 3.439 -8.444 196 HZ2 LYS 667 1HZ LYS 667 7.854 1.867 -8.431 197 HZ3 LYS 667 2HZ LYS 667 7.277 2.559 -6.992 198 H MET 668 H MET 668 3.680 -1.922 -4.659 199 HA MET 668 HA MET 668 2.142 -3.383 -6.681 200 HB2 MET 668 2HB MET 668 0.353 -3.492 -5.068 201 HB3 MET 668 1HB MET 668 1.843 -4.032 -4.306 202 HG2 MET 668 2HG MET 668 2.070 -1.939 -3.149 203 HG3 MET 668 1HG MET 668 0.697 -1.261 -4.022 204 HE1 MET 668 3HE MET 668 1.604 -4.523 -2.331 205 HE2 MET 668 1HE MET 668 1.643 -3.614 -0.821 206 HE3 MET 668 2HE MET 668 0.356 -4.787 -1.112 207 H ASP 669 H ASP 669 0.323 -2.490 -7.657 208 HA ASP 669 HA ASP 669 0.277 0.441 -7.719 209 HB2 ASP 669 2HB ASP 669 0.445 -0.402 -9.915 210 HB3 ASP 669 1HB ASP 669 -0.698 -1.700 -9.598 211 H VAL 670 H VAL 670 -1.039 1.263 -6.241 212 HA VAL 670 HA VAL 670 -3.366 -0.197 -5.330 213 HB VAL 670 HB VAL 670 -2.565 2.589 -4.497 214 HG11 VAL 670 1HG1 VAL 670 -4.056 0.430 -3.007 215 HG12 VAL 670 2HG1 VAL 670 -3.770 2.085 -2.469 216 HG13 VAL 670 3HG1 VAL 670 -4.817 1.777 -3.854 217 HG21 VAL 670 3HG2 VAL 670 -1.764 0.359 -2.758 218 HG22 VAL 670 1HG2 VAL 670 -0.869 0.475 -4.273 219 HG23 VAL 670 2HG2 VAL 670 -0.909 1.846 -3.164 220 H THR 671 H THR 671 -4.797 -0.204 -7.023 221 HA THR 671 HA THR 671 -5.734 2.373 -8.046 222 HB THR 671 HB THR 671 -6.842 -0.303 -8.869 223 HG1 THR 671 1HG THR 671 -4.290 0.574 -9.217 224 HG21 THR 671 3HG2 THR 671 -7.955 1.814 -9.571 225 HG22 THR 671 1HG2 THR 671 -7.366 0.849 -10.923 226 HG23 THR 671 2HG2 THR 671 -6.469 2.275 -10.400 227 H VAL 672 H VAL 672 -7.466 3.346 -7.188 228 HA VAL 672 HA VAL 672 -9.162 1.838 -5.366 229 HB VAL 672 HB VAL 672 -8.328 4.122 -4.765 230 HG11 VAL 672 1HG1 VAL 672 -10.406 5.520 -6.252 231 HG12 VAL 672 2HG1 VAL 672 -8.725 5.960 -5.958 232 HG13 VAL 672 3HG1 VAL 672 -9.129 4.859 -7.275 233 HG21 VAL 672 3HG2 VAL 672 -11.220 4.519 -4.710 234 HG22 VAL 672 1HG2 VAL 672 -10.705 2.917 -4.182 235 HG23 VAL 672 2HG2 VAL 672 -10.066 4.356 -3.388 236 H ILE 673 H ILE 673 -11.170 1.165 -5.804 237 HA ILE 673 HA ILE 673 -12.072 1.447 -8.564 238 HB ILE 673 HB ILE 673 -12.801 -0.435 -6.332 239 HG12 ILE 673 2HG1 ILE 673 -12.352 -1.945 -8.531 240 HG13 ILE 673 1HG1 ILE 673 -11.343 -0.552 -8.907 241 HG21 ILE 673 1HG2 ILE 673 -14.160 -0.808 -8.924 242 HG22 ILE 673 2HG2 ILE 673 -14.731 -1.122 -7.284 243 HG23 ILE 673 3HG2 ILE 673 -14.749 0.522 -7.925 244 HD11 ILE 673 3HD1 ILE 673 -11.125 -1.833 -6.228 245 HD12 ILE 673 1HD1 ILE 673 -10.360 -2.590 -7.625 246 HD13 ILE 673 2HD1 ILE 673 -9.913 -0.950 -7.158 247 H ASP 674 H ASP 674 -13.840 2.531 -9.185 248 HA ASP 674 HA ASP 674 -15.121 4.211 -7.168 249 HB2 ASP 674 2HB ASP 674 -14.256 5.439 -9.022 250 HB3 ASP 674 1HB ASP 674 -14.990 4.337 -10.181 251 H THR 675 H THR 675 -17.112 3.873 -6.478 252 HA THR 675 HA THR 675 -18.959 2.394 -8.221 253 HB THR 675 HB THR 675 -18.640 0.967 -6.340 254 HG1 THR 675 1HG THR 675 -20.865 1.921 -5.177 255 HG21 THR 675 3HG2 THR 675 -18.862 3.474 -4.697 256 HG22 THR 675 1HG2 THR 675 -17.565 2.280 -4.722 257 HG23 THR 675 2HG2 THR 675 -19.118 1.878 -3.990 258 H LYS 676 H LYS 676 -20.645 3.543 -8.892 259 HA LYS 676 HA LYS 676 -21.216 6.083 -7.534 260 HB2 LYS 676 2HB LYS 676 -20.875 5.468 -10.231 261 HB3 LYS 676 1HB LYS 676 -22.614 5.691 -10.044 262 HG2 LYS 676 2HG LYS 676 -22.154 7.859 -10.315 263 HG3 LYS 676 1HG LYS 676 -21.648 7.781 -8.625 264 HD2 LYS 676 2HD LYS 676 -19.892 8.852 -9.837 265 HD3 LYS 676 1HD LYS 676 -19.339 7.224 -9.439 266 HE2 LYS 676 2HE LYS 676 -20.519 6.822 -11.859 267 HE3 LYS 676 1HE LYS 676 -19.878 8.454 -12.049 268 HZ1 LYS 676 3HZ LYS 676 -18.370 6.535 -12.688 269 HZ2 LYS 676 1HZ LYS 676 -18.203 6.234 -11.024 270 HZ3 LYS 676 2HZ LYS 676 -17.707 7.722 -11.670 271 H ASP 677 H ASP 677 -22.122 3.156 -7.188 272 HA ASP 677 HA ASP 677 -25.006 3.569 -7.144 273 HB2 ASP 677 2HB ASP 677 -24.879 1.515 -8.091 274 HB3 ASP 677 1HB ASP 677 -23.253 1.227 -7.489 275 H GLY 678 H GLY 678 -26.029 3.828 -5.312 276 HA2 GLY 678 1HA GLY 678 -26.421 3.575 -2.982 277 HA3 GLY 678 2HA GLY 678 -24.722 3.172 -2.771 278 H SER 679 H SER 679 -24.200 5.570 -4.641 279 HA SER 679 HA SER 679 -24.030 7.519 -2.489 280 HB2 SER 679 2HB SER 679 -22.928 8.500 -4.931 281 HB3 SER 679 1HB SER 679 -22.073 7.979 -3.477 282 HG SER 679 HG SER 679 -21.345 6.605 -4.988 283 H GLN 680 H GLN 680 -26.084 6.811 -5.062 284 HA GLN 680 HA GLN 680 -27.197 9.531 -5.025 285 HB2 GLN 680 2HB GLN 680 -25.909 8.270 -7.226 286 HB3 GLN 680 1HB GLN 680 -27.625 8.363 -7.598 287 HG2 GLN 680 2HG GLN 680 -27.128 10.403 -8.350 288 HG3 GLN 680 1HG GLN 680 -27.171 10.858 -6.649 289 HE21 GLN 680 1HE2 GLN 680 -24.654 8.831 -7.899 290 HE22 GLN 680 2HE2 GLN 680 -23.381 9.999 -7.802 291 H SER 681 H SER 681 -27.977 7.036 -3.666 292 HA SER 681 HA SER 681 -30.139 5.810 -5.025 293 HB2 SER 681 2HB SER 681 -30.242 5.731 -2.090 294 HB3 SER 681 1HB SER 681 -30.176 4.407 -3.254 295 HG SER 681 HG SER 681 -28.222 4.232 -2.465 296 H LYS 682 H LYS 682 -29.890 8.682 -3.073 297 HA LYS 682 HA LYS 682 -32.741 8.840 -2.601 298 HB2 LYS 682 2HB LYS 682 -30.374 10.186 -1.630 299 HB3 LYS 682 1HB LYS 682 -31.603 11.352 -2.098 300 HG2 LYS 682 2HG LYS 682 -32.317 11.036 0.002 301 HG3 LYS 682 1HG LYS 682 -33.111 9.622 -0.698 302 HD2 LYS 682 2HD LYS 682 -31.409 8.169 0.054 303 HD3 LYS 682 1HD LYS 682 -30.324 9.510 0.431 304 HE2 LYS 682 2HE LYS 682 -31.203 9.773 2.463 305 HE3 LYS 682 1HE LYS 682 -32.849 9.700 1.840 306 HZ1 LYS 682 3HZ LYS 682 -32.990 7.467 2.191 307 HZ2 LYS 682 1HZ LYS 682 -31.923 7.870 3.448 308 HZ3 LYS 682 2HZ LYS 682 -31.323 7.204 2.009 309 H LEU 683 H LEU 683 -30.550 9.719 -5.046 310 HA LEU 683 HA LEU 683 -32.274 11.778 -6.165 311 HB2 LEU 683 2HB LEU 683 -29.547 10.738 -6.738 312 HB3 LEU 683 1HB LEU 683 -30.436 11.444 -8.074 313 HG LEU 683 HG LEU 683 -30.771 13.367 -6.193 314 HD11 LEU 683 1HD1 LEU 683 -28.235 13.579 -5.440 315 HD12 LEU 683 2HD1 LEU 683 -29.442 12.743 -4.463 316 HD13 LEU 683 3HD1 LEU 683 -28.345 11.819 -5.489 317 HD21 LEU 683 3HD2 LEU 683 -29.974 13.547 -8.560 318 HD22 LEU 683 1HD2 LEU 683 -29.179 14.639 -7.428 319 HD23 LEU 683 2HD2 LEU 683 -28.350 13.182 -7.975 320 H GLY 684 H GLY 684 -31.115 8.524 -6.966 321 HA2 GLY 684 1HA GLY 684 -32.756 6.935 -7.814 322 HA3 GLY 684 2HA GLY 684 -33.473 8.258 -8.723 323 H GLY 685 H GLY 685 -31.729 5.550 -9.066 324 HA2 GLY 685 1HA GLY 685 -29.787 6.490 -11.010 325 HA3 GLY 685 2HA GLY 685 -30.094 4.818 -10.560 326 H GLY 901 H GLY 901 -31.834 7.507 -12.101 327 HA2 GLY 901 1HA GLY 901 -33.116 5.553 -13.886 328 HA3 GLY 901 2HA GLY 901 -33.696 7.180 -13.564 329 H GLY 902 H GLY 902 -32.787 5.507 -16.021 330 HA2 GLY 902 1HA GLY 902 -32.276 6.385 -18.136 331 HA3 GLY 902 2HA GLY 902 -31.569 7.795 -17.360 332 H SER 903 H SER 903 -30.100 5.856 -15.538 333 HA SER 903 HA SER 903 -27.707 5.756 -17.104 334 HB2 SER 903 2HB SER 903 -27.677 4.365 -14.523 335 HB3 SER 903 1HB SER 903 -26.679 5.704 -15.096 336 HG SER 903 HG SER 903 -28.176 7.135 -14.414 337 H GLY 904 H GLY 904 -28.633 4.263 -18.738 338 HA2 GLY 904 1HA GLY 904 -29.225 1.558 -18.061 339 HA3 GLY 904 2HA GLY 904 -28.916 2.177 -19.677 340 H GLY 905 H GLY 905 -26.281 3.264 -18.764 341 HA2 GLY 905 1HA GLY 905 -24.813 0.763 -19.161 342 HA3 GLY 905 2HA GLY 905 -24.179 2.388 -19.382 343 H HIS 906 H HIS 906 -25.976 1.865 -16.526 344 HA HIS 906 HA HIS 906 -23.475 1.621 -14.997 345 HB2 HIS 906 2HB HIS 906 -25.435 3.697 -14.917 346 HB3 HIS 906 1HB HIS 906 -25.472 2.838 -13.380 347 HD1 HIS 906 1HD HIS 906 -23.131 4.844 -15.569 348 HD2 HIS 906 2HD HIS 906 -23.335 3.268 -11.728 349 HE1 HIS 906 1HE HIS 906 -21.182 5.825 -14.292 350 H MET 907 H MET 907 -23.372 0.035 -13.561 351 HA MET 907 HA MET 907 -25.777 -1.590 -13.128 352 HB2 MET 907 2HB MET 907 -22.874 -2.163 -13.255 353 HB3 MET 907 1HB MET 907 -23.783 -3.069 -12.053 354 HG2 MET 907 2HG MET 907 -24.554 -4.438 -13.601 355 HG3 MET 907 1HG MET 907 -25.215 -3.088 -14.520 356 HE1 MET 907 3HE MET 907 -24.733 -4.943 -16.581 357 HE2 MET 907 1HE MET 907 -23.101 -5.484 -16.980 358 HE3 MET 907 2HE MET 907 -23.860 -6.000 -15.473 359 H GLY 908 H GLY 908 -26.378 -2.234 -11.034 360 HA2 GLY 908 1HA GLY 908 -25.392 -0.416 -8.941 361 HA3 GLY 908 2HA GLY 908 -26.954 -1.225 -8.934 362 H SER 909 H SER 909 -26.246 -1.782 -6.714 363 HA SER 909 HA SER 909 -24.160 -3.687 -6.340 364 HB2 SER 909 2HB SER 909 -26.102 -3.891 -4.258 365 HB3 SER 909 1HB SER 909 -24.535 -3.081 -4.207 366 HG SER 909 HG SER 909 -25.532 -1.198 -5.000 367 H GLY 910 H GLY 910 -24.410 -5.446 -7.670 368 HA2 GLY 910 1HA GLY 910 -26.943 -6.770 -7.993 369 HA3 GLY 910 2HA GLY 910 -25.395 -7.301 -8.636 370 H GLY 911 H GLY 911 -27.185 -7.047 -5.577 371 HA2 GLY 911 1HA GLY 911 -27.642 -9.237 -4.494 372 HA3 GLY 911 2HA GLY 911 -25.949 -9.611 -4.784 373 H LEU 18 H LEU 18 -26.115 -10.020 -2.399 374 HA LEU 18 HA LEU 18 -25.785 -7.507 -0.891 375 HB2 LEU 18 2HB LEU 18 -27.197 -9.978 -0.323 376 HB3 LEU 18 1HB LEU 18 -26.032 -9.611 0.934 377 HG LEU 18 HG LEU 18 -28.193 -8.715 1.542 378 HD11 LEU 18 1HD1 LEU 18 -27.590 -6.289 1.736 379 HD12 LEU 18 2HD1 LEU 18 -26.372 -7.420 2.327 380 HD13 LEU 18 3HD1 LEU 18 -26.162 -6.641 0.760 381 HD21 LEU 18 3HD2 LEU 18 -28.091 -6.971 -0.906 382 HD22 LEU 18 1HD2 LEU 18 -28.970 -8.500 -0.853 383 HD23 LEU 18 2HD2 LEU 18 -29.421 -7.186 0.233 384 H SER 19 H SER 19 -23.989 -9.711 -2.403 385 HA SER 19 HA SER 19 -22.054 -10.175 -0.281 386 HB2 SER 19 2HB SER 19 -21.081 -11.096 -2.791 387 HB3 SER 19 1HB SER 19 -21.678 -12.060 -1.441 388 HG SER 19 HG SER 19 -23.813 -11.758 -2.305 389 H TRP 20 H TRP 20 -22.466 -8.354 -3.232 390 HA TRP 20 HA TRP 20 -21.297 -6.686 -4.222 391 HB2 TRP 20 2HB TRP 20 -19.852 -6.218 -1.627 392 HB3 TRP 20 1HB TRP 20 -20.287 -5.044 -2.865 393 HD1 TRP 20 HD TRP 20 -23.364 -5.513 -3.129 394 HE1 TRP 20 1HE TRP 20 -24.947 -4.958 -1.179 395 HE3 TRP 20 3HE TRP 20 -20.003 -5.653 0.719 396 HZ2 TRP 20 2HZ TRP 20 -24.797 -4.623 1.615 397 HZ3 TRP 20 3HZ TRP 20 -20.805 -5.201 3.000 398 HH2 TRP 20 HH TRP 20 -23.155 -4.698 3.437 399 H LYS 21 H LYS 21 -18.566 -6.812 -2.202 400 HA LYS 21 HA LYS 21 -17.178 -8.644 -3.997 401 HB2 LYS 21 2HB LYS 21 -16.854 -5.904 -4.139 402 HB3 LYS 21 1HB LYS 21 -15.517 -6.406 -3.112 403 HG2 LYS 21 2HG LYS 21 -15.062 -6.286 -5.595 404 HG3 LYS 21 1HG LYS 21 -14.614 -7.781 -4.772 405 HD2 LYS 21 2HD LYS 21 -16.295 -8.994 -5.760 406 HD3 LYS 21 1HD LYS 21 -17.318 -7.577 -6.000 407 HE2 LYS 21 2HE LYS 21 -14.811 -7.445 -7.476 408 HE3 LYS 21 1HE LYS 21 -15.798 -8.834 -7.923 409 HZ1 LYS 21 3HZ LYS 21 -17.664 -6.993 -7.964 410 HZ2 LYS 21 1HZ LYS 21 -16.663 -7.279 -9.304 411 HZ3 LYS 21 2HZ LYS 21 -16.335 -5.979 -8.267 412 H ARG 22 H ARG 22 -15.897 -10.047 -2.963 413 HA ARG 22 HA ARG 22 -15.661 -9.764 -0.059 414 HB2 ARG 22 2HB ARG 22 -15.415 -12.088 -1.949 415 HB3 ARG 22 1HB ARG 22 -14.790 -12.186 -0.308 416 HG2 ARG 22 2HG ARG 22 -17.260 -11.278 0.215 417 HG3 ARG 22 1HG ARG 22 -17.573 -12.164 -1.278 418 HD2 ARG 22 2HD ARG 22 -16.188 -13.293 1.150 419 HD3 ARG 22 1HD ARG 22 -17.884 -13.548 0.740 420 HE ARG 22 HE ARG 22 -15.566 -14.761 -0.518 421 HH11 ARG 22 2HH1 ARG 22 -19.028 -14.175 -0.647 422 HH12 ARG 22 1HH1 ARG 22 -19.320 -15.431 -1.822 423 HH21 ARG 22 2HH2 ARG 22 -15.956 -16.418 -2.042 424 HH22 ARG 22 1HH2 ARG 22 -17.575 -16.710 -2.603 425 H CYS 23 H CYS 23 -13.773 -9.372 0.931 426 HA CYS 23 HA CYS 23 -11.526 -8.695 -0.743 427 HB2 CYS 23 2HB CYS 23 -10.551 -7.914 1.440 428 HB3 CYS 23 1HB CYS 23 -12.040 -7.124 0.938 429 H ALA 24 H ALA 24 -9.359 -9.354 -0.281 430 HA ALA 24 HA ALA 24 -9.183 -12.200 0.104 431 HB1 ALA 24 1HB ALA 24 -7.605 -10.175 -1.144 432 HB2 ALA 24 2HB ALA 24 -6.596 -11.115 -0.043 433 HB3 ALA 24 3HB ALA 24 -7.507 -11.929 -1.315 434 H GLY 25 H GLY 25 -9.007 -9.532 2.180 435 HA2 GLY 25 1HA GLY 25 -7.148 -10.774 4.045 436 HA3 GLY 25 2HA GLY 25 -7.954 -9.225 4.246 437 H CYS 26 H CYS 26 -9.963 -9.127 5.237 438 HA CYS 26 HA CYS 26 -10.704 -10.908 7.173 439 HB2 CYS 26 2HB CYS 26 -12.945 -9.554 5.740 440 HB3 CYS 26 1HB CYS 26 -12.634 -9.684 7.463 441 H GLY 27 H GLY 27 -11.865 -10.820 3.824 442 HA2 GLY 27 1HA GLY 27 -12.543 -12.670 2.544 443 HA3 GLY 27 2HA GLY 27 -12.587 -13.644 4.011 444 H GLY 28 H GLY 28 -14.030 -10.570 4.180 445 HA2 GLY 28 1HA GLY 28 -16.687 -11.840 4.167 446 HA3 GLY 28 2HA GLY 28 -16.257 -10.417 5.108 447 H LYS 29 H LYS 29 -18.058 -9.336 4.190 448 HA LYS 29 HA LYS 29 -17.921 -8.738 1.334 449 HB2 LYS 29 2HB LYS 29 -19.929 -8.034 3.484 450 HB3 LYS 29 1HB LYS 29 -20.036 -7.443 1.834 451 HG2 LYS 29 2HG LYS 29 -20.985 -9.318 1.141 452 HG3 LYS 29 1HG LYS 29 -19.732 -10.309 1.888 453 HD2 LYS 29 2HD LYS 29 -21.925 -10.849 2.801 454 HD3 LYS 29 1HD LYS 29 -20.891 -10.141 4.042 455 HE2 LYS 29 2HE LYS 29 -21.990 -7.929 3.525 456 HE3 LYS 29 1HE LYS 29 -23.141 -8.820 2.529 457 HZ1 LYS 29 3HZ LYS 29 -24.077 -9.826 4.355 458 HZ2 LYS 29 1HZ LYS 29 -23.691 -8.304 4.994 459 HZ3 LYS 29 2HZ LYS 29 -22.700 -9.638 5.322 460 H ILE 30 H ILE 30 -16.871 -6.975 0.616 461 HA ILE 30 HA ILE 30 -15.722 -5.096 2.417 462 HB ILE 30 HB ILE 30 -16.033 -5.019 -0.589 463 HG12 ILE 30 2HG1 ILE 30 -13.481 -5.328 0.974 464 HG13 ILE 30 1HG1 ILE 30 -14.500 -6.721 0.619 465 HG21 ILE 30 1HG2 ILE 30 -14.113 -3.249 0.843 466 HG22 ILE 30 2HG2 ILE 30 -14.884 -3.040 -0.729 467 HG23 ILE 30 3HG2 ILE 30 -15.807 -2.762 0.749 468 HD11 ILE 30 3HD1 ILE 30 -14.326 -6.076 -1.808 469 HD12 ILE 30 1HD1 ILE 30 -13.081 -4.925 -1.321 470 HD13 ILE 30 2HD1 ILE 30 -12.840 -6.652 -1.051 471 H ALA 31 H ALA 31 -16.961 -3.793 3.555 472 HA ALA 31 HA ALA 31 -19.198 -2.448 2.200 473 HB1 ALA 31 1HB ALA 31 -20.385 -3.371 3.865 474 HB2 ALA 31 2HB ALA 31 -18.952 -3.683 4.844 475 HB3 ALA 31 3HB ALA 31 -19.697 -2.085 4.856 476 H ASP 32 H ASP 32 -16.252 -1.806 2.482 477 HA ASP 32 HA ASP 32 -16.289 0.679 3.973 478 HB2 ASP 32 2HB ASP 32 -14.261 -1.006 2.676 479 HB3 ASP 32 1HB ASP 32 -13.970 0.723 2.528 480 H ARG 33 H ARG 33 -17.706 -0.118 1.275 481 HA ARG 33 HA ARG 33 -18.661 1.031 -0.419 482 HB2 ARG 33 2HB ARG 33 -18.210 3.020 1.357 483 HB3 ARG 33 1HB ARG 33 -17.218 3.575 0.013 484 HG2 ARG 33 2HG ARG 33 -19.419 3.005 -1.349 485 HG3 ARG 33 1HG ARG 33 -20.160 3.303 0.226 486 HD2 ARG 33 2HD ARG 33 -18.347 5.379 -0.075 487 HD3 ARG 33 1HD ARG 33 -19.036 5.172 -1.686 488 HE ARG 33 HE ARG 33 -21.071 5.170 0.299 489 HH11 ARG 33 2HH1 ARG 33 -18.884 7.333 -1.392 490 HH12 ARG 33 1HH1 ARG 33 -19.976 8.691 -1.327 491 HH21 ARG 33 2HH2 ARG 33 -22.471 6.950 0.436 492 HH22 ARG 33 1HH2 ARG 33 -22.010 8.477 -0.254 493 H PHE 34 H PHE 34 -15.389 2.435 -0.132 494 HA PHE 34 HA PHE 34 -15.026 1.859 -2.983 495 HB2 PHE 34 2HB PHE 34 -14.029 3.946 -1.152 496 HB3 PHE 34 1HB PHE 34 -12.847 3.339 -2.308 497 HD1 PHE 34 2HD PHE 34 -16.509 3.953 -2.593 498 HD2 PHE 34 1HD PHE 34 -12.600 4.906 -3.974 499 HE1 PHE 34 2HE PHE 34 -17.480 5.388 -4.337 500 HE2 PHE 34 1HE PHE 34 -13.563 6.343 -5.722 501 HZ PHE 34 HZ PHE 34 -16.008 6.581 -5.908 502 H LEU 35 H LEU 35 -13.778 0.245 -3.601 503 HA LEU 35 HA LEU 35 -12.101 -1.052 -1.584 504 HB2 LEU 35 2HB LEU 35 -12.031 -2.849 -3.523 505 HB3 LEU 35 1HB LEU 35 -13.360 -2.767 -2.385 506 HG LEU 35 HG LEU 35 -13.707 -1.173 -4.848 507 HD11 LEU 35 1HD1 LEU 35 -12.957 -3.974 -4.944 508 HD12 LEU 35 2HD1 LEU 35 -14.550 -3.682 -5.643 509 HD13 LEU 35 3HD1 LEU 35 -13.146 -2.807 -6.254 510 HD21 LEU 35 3HD2 LEU 35 -15.529 -3.194 -3.559 511 HD22 LEU 35 1HD2 LEU 35 -15.392 -1.530 -2.989 512 HD23 LEU 35 2HD2 LEU 35 -15.962 -1.856 -4.627 513 H LEU 36 H LEU 36 -9.987 -1.794 -2.164 514 HA LEU 36 HA LEU 36 -8.722 -0.043 -4.170 515 HB2 LEU 36 2HB LEU 36 -7.531 -1.020 -1.570 516 HB3 LEU 36 1HB LEU 36 -6.741 0.021 -2.738 517 HG LEU 36 HG LEU 36 -9.283 1.115 -1.824 518 HD11 LEU 36 1HD1 LEU 36 -7.995 -0.235 0.157 519 HD12 LEU 36 2HD1 LEU 36 -7.291 1.376 0.301 520 HD13 LEU 36 3HD1 LEU 36 -9.039 1.167 0.396 521 HD21 LEU 36 3HD2 LEU 36 -8.151 2.859 -2.615 522 HD22 LEU 36 1HD2 LEU 36 -7.178 2.798 -1.145 523 HD23 LEU 36 2HD2 LEU 36 -6.632 1.963 -2.600 524 H TYR 37 H TYR 37 -6.619 -0.851 -4.938 525 HA TYR 37 HA TYR 37 -6.646 -3.772 -5.278 526 HB2 TYR 37 2HB TYR 37 -6.525 -1.610 -7.167 527 HB3 TYR 37 1HB TYR 37 -5.048 -2.559 -7.275 528 HD1 TYR 37 1HD TYR 37 -6.018 -5.271 -6.720 529 HD2 TYR 37 2HD TYR 37 -7.760 -2.166 -9.038 530 HE1 TYR 37 1HE TYR 37 -7.196 -6.951 -8.069 531 HE2 TYR 37 2HE TYR 37 -8.942 -3.832 -10.398 532 HH TYR 37 HH TYR 37 -8.188 -6.753 -10.770 533 H ALA 38 H ALA 38 -4.667 -4.867 -5.222 534 HA ALA 38 HA ALA 38 -2.283 -3.339 -4.512 535 HB1 ALA 38 1HB ALA 38 -3.760 -4.783 -2.605 536 HB2 ALA 38 2HB ALA 38 -2.312 -5.732 -2.938 537 HB3 ALA 38 3HB ALA 38 -2.165 -4.054 -2.414 538 H MET 39 H MET 39 -2.683 -6.804 -4.207 539 HA MET 39 HA MET 39 -0.658 -7.245 -6.217 540 HB2 MET 39 2HB MET 39 -1.883 -8.761 -4.045 541 HB3 MET 39 1HB MET 39 -1.660 -9.728 -5.495 542 HG2 MET 39 2HG MET 39 0.307 -10.080 -4.365 543 HG3 MET 39 1HG MET 39 0.743 -8.768 -5.460 544 HE1 MET 39 3HE MET 39 0.936 -5.729 -3.725 545 HE2 MET 39 1HE MET 39 2.458 -6.616 -3.799 546 HE3 MET 39 2HE MET 39 1.286 -6.766 -5.108 547 H ASP 40 H ASP 40 -3.643 -9.077 -5.770 548 HA ASP 40 HA ASP 40 -4.543 -8.442 -8.465 549 HB2 ASP 40 2HB ASP 40 -4.570 -10.681 -9.250 550 HB3 ASP 40 1HB ASP 40 -2.968 -10.450 -8.559 551 H SER 41 H SER 41 -5.267 -8.505 -5.400 552 HA SER 41 HA SER 41 -7.945 -9.667 -5.740 553 HB2 SER 41 2HB SER 41 -7.193 -9.240 -2.979 554 HB3 SER 41 1HB SER 41 -7.676 -10.735 -3.782 555 HG SER 41 HG SER 41 -5.612 -11.210 -4.215 556 H TYR 42 H TYR 42 -9.580 -8.599 -4.198 557 HA TYR 42 HA TYR 42 -9.294 -5.698 -4.459 558 HB2 TYR 42 2HB TYR 42 -11.745 -7.356 -3.823 559 HB3 TYR 42 1HB TYR 42 -11.720 -5.616 -4.094 560 HD1 TYR 42 2HD TYR 42 -10.673 -4.887 -6.419 561 HD2 TYR 42 1HD TYR 42 -12.301 -8.734 -5.603 562 HE1 TYR 42 2HE TYR 42 -11.029 -5.241 -8.822 563 HE2 TYR 42 1HE TYR 42 -12.656 -9.096 -8.010 564 HH TYR 42 HH TYR 42 -11.252 -7.711 -10.309 565 H TRP 43 H TRP 43 -9.271 -4.354 -2.725 566 HA TRP 43 HA TRP 43 -9.435 -5.583 -0.052 567 HB2 TRP 43 2HB TRP 43 -7.392 -3.474 -0.756 568 HB3 TRP 43 1HB TRP 43 -7.446 -4.502 0.671 569 HD1 TRP 43 HD TRP 43 -6.774 -4.803 -3.133 570 HE1 TRP 43 1HE TRP 43 -5.168 -6.770 -3.505 571 HE3 TRP 43 3HE TRP 43 -6.412 -6.479 1.677 572 HZ2 TRP 43 2HZ TRP 43 -3.898 -8.763 -1.970 573 HZ3 TRP 43 3HZ TRP 43 -4.976 -8.425 2.143 574 HH2 TRP 43 HH TRP 43 -3.744 -9.539 0.350 575 H HIS 44 H HIS 44 -9.231 -3.644 1.617 576 HA HIS 44 HA HIS 44 -10.514 -1.200 0.734 577 HB2 HIS 44 2HB HIS 44 -12.270 -1.344 2.542 578 HB3 HIS 44 1HB HIS 44 -12.510 -2.471 1.212 579 HD1 HIS 44 1HD HIS 44 -12.826 -2.448 4.734 580 HD2 HIS 44 2HD HIS 44 -11.097 -5.062 1.997 581 HE1 HIS 44 1HE HIS 44 -12.560 -4.694 5.927 582 H SER 45 H SER 45 -11.031 -0.056 3.196 583 HA SER 45 HA SER 45 -8.473 0.784 3.936 584 HB2 SER 45 2HB SER 45 -10.525 1.200 5.989 585 HB3 SER 45 1HB SER 45 -9.598 2.380 5.060 586 HG SER 45 HG SER 45 -12.045 1.136 4.453 587 H ARG 46 H ARG 46 -10.550 -1.673 5.356 588 HA ARG 46 HA ARG 46 -8.873 -1.977 7.679 589 HB2 ARG 46 2HB ARG 46 -11.503 -2.580 7.093 590 HB3 ARG 46 1HB ARG 46 -10.734 -4.160 7.120 591 HG2 ARG 46 2HG ARG 46 -10.474 -2.159 9.346 592 HG3 ARG 46 1HG ARG 46 -11.726 -3.400 9.289 593 HD2 ARG 46 2HD ARG 46 -9.133 -4.551 8.792 594 HD3 ARG 46 1HD ARG 46 -9.128 -3.646 10.304 595 HE ARG 46 HE ARG 46 -11.112 -5.031 10.928 596 HH11 ARG 46 2HH1 ARG 46 -8.807 -6.195 8.556 597 HH12 ARG 46 1HH1 ARG 46 -9.114 -7.870 8.896 598 HH21 ARG 46 2HH2 ARG 46 -11.511 -7.221 11.376 599 HH22 ARG 46 1HH2 ARG 46 -10.672 -8.455 10.486 600 H CYS 47 H CYS 47 -8.882 -3.241 4.493 601 HA CYS 47 HA CYS 47 -7.446 -5.652 5.324 602 HB2 CYS 47 2HB CYS 47 -9.311 -5.042 3.215 603 HB3 CYS 47 1HB CYS 47 -7.826 -5.707 2.543 604 H LEU 48 H LEU 48 -7.146 -2.879 3.147 605 HA LEU 48 HA LEU 48 -4.639 -3.766 2.100 606 HB2 LEU 48 2HB LEU 48 -6.569 -2.139 1.163 607 HB3 LEU 48 1HB LEU 48 -5.445 -0.941 1.773 608 HG LEU 48 HG LEU 48 -5.368 -1.965 -0.734 609 HD11 LEU 48 1HD1 LEU 48 -2.758 -1.346 -0.336 610 HD12 LEU 48 2HD1 LEU 48 -4.051 -0.171 -0.585 611 HD13 LEU 48 3HD1 LEU 48 -3.525 -0.571 1.049 612 HD21 LEU 48 3HD2 LEU 48 -3.146 -3.425 0.659 613 HD22 LEU 48 1HD2 LEU 48 -4.699 -4.195 0.336 614 HD23 LEU 48 2HD2 LEU 48 -3.717 -3.597 -1.001 615 H LYS 49 H LYS 49 -3.684 -4.017 4.247 616 HA LYS 49 HA LYS 49 -2.223 -1.580 4.964 617 HB2 LYS 49 2HB LYS 49 -3.607 -3.481 6.859 618 HB3 LYS 49 1HB LYS 49 -2.305 -2.419 7.376 619 HG2 LYS 49 2HG LYS 49 -3.661 -0.486 6.596 620 HG3 LYS 49 1HG LYS 49 -4.985 -1.607 6.277 621 HD2 LYS 49 2HD LYS 49 -4.043 -2.118 8.897 622 HD3 LYS 49 1HD LYS 49 -4.244 -0.373 8.734 623 HE2 LYS 49 2HE LYS 49 -6.516 -1.131 7.600 624 HE3 LYS 49 1HE LYS 49 -6.260 -2.548 8.618 625 HZ1 LYS 49 3HZ LYS 49 -6.311 -1.247 10.547 626 HZ2 LYS 49 1HZ LYS 49 -7.584 -0.643 9.601 627 HZ3 LYS 49 2HZ LYS 49 -6.117 0.206 9.695 628 H CYS 50 H CYS 50 -0.165 -2.023 5.954 629 HA CYS 50 HA CYS 50 1.313 -4.099 4.817 630 HB2 CYS 50 2HB CYS 50 2.367 -2.081 5.627 631 HB3 CYS 50 1HB CYS 50 1.805 -2.388 7.260 632 H SER 51 H SER 51 1.769 -6.164 5.459 633 HA SER 51 HA SER 51 0.070 -7.300 7.499 634 HB2 SER 51 2HB SER 51 2.234 -8.862 6.138 635 HB3 SER 51 1HB SER 51 0.609 -9.369 6.599 636 HG SER 51 HG SER 51 0.311 -7.425 4.855 637 H SER 52 H SER 52 2.915 -5.691 7.613 638 HA SER 52 HA SER 52 4.030 -7.367 9.741 639 HB2 SER 52 2HB SER 52 5.662 -5.094 8.944 640 HB3 SER 52 1HB SER 52 6.061 -6.813 8.974 641 HG SER 52 HG SER 52 4.703 -5.385 6.923 642 H CYS 53 H CYS 53 3.303 -3.905 9.076 643 HA CYS 53 HA CYS 53 3.180 -3.562 12.001 644 HB2 CYS 53 2HB CYS 53 3.788 -1.226 11.716 645 HB3 CYS 53 1HB CYS 53 5.003 -2.264 10.983 646 H GLN 54 H GLN 54 1.324 -3.767 9.308 647 HA GLN 54 HA GLN 54 -0.835 -3.369 8.811 648 HB2 GLN 54 2HB GLN 54 -0.750 -3.553 11.708 649 HB3 GLN 54 1HB GLN 54 -2.078 -2.547 11.148 650 HG2 GLN 54 2HG GLN 54 -1.916 -4.932 9.562 651 HG3 GLN 54 1HG GLN 54 -1.979 -5.339 11.276 652 HE21 GLN 54 1HE2 GLN 54 -3.869 -5.134 8.738 653 HE22 GLN 54 2HE2 GLN 54 -5.336 -4.561 9.450 654 H ALA 55 H ALA 55 0.953 -1.239 8.418 655 HA ALA 55 HA ALA 55 -0.459 1.182 9.141 656 HB1 ALA 55 1HB ALA 55 1.870 0.729 7.277 657 HB2 ALA 55 2HB ALA 55 1.239 2.305 7.754 658 HB3 ALA 55 3HB ALA 55 1.962 1.243 8.962 659 H GLN 56 H GLN 56 -1.782 2.372 7.823 660 HA GLN 56 HA GLN 56 -3.141 0.993 5.748 661 HB2 GLN 56 2HB GLN 56 -3.469 3.417 7.258 662 HB3 GLN 56 1HB GLN 56 -3.734 3.742 5.550 663 HG2 GLN 56 2HG GLN 56 -5.035 1.337 6.670 664 HG3 GLN 56 1HG GLN 56 -5.657 2.906 7.186 665 HE21 GLN 56 1HE2 GLN 56 -7.524 2.991 6.124 666 HE22 GLN 56 2HE2 GLN 56 -7.688 2.927 4.404 667 H LEU 57 H LEU 57 -2.520 0.749 3.724 668 HA LEU 57 HA LEU 57 -0.591 2.657 2.601 669 HB2 LEU 57 2HB LEU 57 -1.225 -0.067 1.500 670 HB3 LEU 57 1HB LEU 57 0.175 0.934 1.166 671 HG LEU 57 HG LEU 57 -0.297 -0.064 3.949 672 HD11 LEU 57 1HD1 LEU 57 -0.418 -2.124 2.929 673 HD12 LEU 57 2HD1 LEU 57 0.642 -1.649 1.601 674 HD13 LEU 57 3HD1 LEU 57 1.316 -1.953 3.203 675 HD21 LEU 57 3HD2 LEU 57 1.911 0.417 4.289 676 HD22 LEU 57 1HD2 LEU 57 2.345 0.149 2.602 677 HD23 LEU 57 2HD2 LEU 57 1.514 1.630 3.073 678 H GLY 58 H GLY 58 -3.835 1.915 2.522 679 HA2 GLY 58 1HA GLY 58 -4.138 2.552 -0.319 680 HA3 GLY 58 2HA GLY 58 -5.384 1.892 0.727 681 H ASP 59 H ASP 59 -4.930 3.809 2.870 682 HA ASP 59 HA ASP 59 -6.308 6.068 1.622 683 HB2 ASP 59 2HB ASP 59 -6.710 4.629 4.035 684 HB3 ASP 59 1HB ASP 59 -6.292 6.285 4.463 685 H ILE 60 H ILE 60 -3.326 5.289 2.387 686 HA ILE 60 HA ILE 60 -2.527 8.088 2.589 687 HB ILE 60 HB ILE 60 -0.861 6.150 4.129 688 HG12 ILE 60 2HG1 ILE 60 -3.254 7.505 5.386 689 HG13 ILE 60 1HG1 ILE 60 -3.231 5.805 4.925 690 HG21 ILE 60 1HG2 ILE 60 -0.436 8.663 3.586 691 HG22 ILE 60 2HG2 ILE 60 -1.535 8.945 4.937 692 HG23 ILE 60 3HG2 ILE 60 -0.048 8.030 5.187 693 HD11 ILE 60 3HD1 ILE 60 -1.720 5.247 6.580 694 HD12 ILE 60 1HD1 ILE 60 -1.139 6.903 6.751 695 HD13 ILE 60 2HD1 ILE 60 -2.732 6.461 7.365 696 H GLY 61 H GLY 61 -0.727 8.550 1.400 697 HA2 GLY 61 1HA GLY 61 0.075 6.668 -0.589 698 HA3 GLY 61 2HA GLY 61 0.766 8.261 -0.330 699 H THR 62 H THR 62 0.667 5.091 1.265 700 HA THR 62 HA THR 62 3.439 5.463 2.115 701 HB THR 62 HB THR 62 1.825 3.061 2.863 702 HG1 THR 62 1HG THR 62 0.446 4.199 4.019 703 HG21 THR 62 3HG2 THR 62 4.051 3.084 3.695 704 HG22 THR 62 1HG2 THR 62 3.009 3.507 5.053 705 HG23 THR 62 2HG2 THR 62 3.914 4.765 4.212 706 H SER 63 H SER 63 5.072 4.347 1.263 707 HA SER 63 HA SER 63 4.759 3.005 -1.202 708 HB2 SER 63 2HB SER 63 7.279 2.423 0.090 709 HB3 SER 63 1HB SER 63 6.964 3.443 -1.315 710 HG SER 63 HG SER 63 6.642 5.189 0.007 711 H SER 64 H SER 64 3.892 1.043 -1.401 712 HA SER 64 HA SER 64 4.435 -0.969 0.677 713 HB2 SER 64 2HB SER 64 2.231 -1.708 -0.995 714 HB3 SER 64 1HB SER 64 2.221 -1.322 0.729 715 HG SER 64 HG SER 64 2.165 0.939 0.034 716 H TYR 65 H TYR 65 5.338 -2.855 0.123 717 HA TYR 65 HA TYR 65 5.728 -3.436 -2.740 718 HB2 TYR 65 2HB TYR 65 7.810 -3.661 -0.550 719 HB3 TYR 65 1HB TYR 65 8.019 -4.232 -2.201 720 HD1 TYR 65 1HD TYR 65 8.136 -2.594 -4.063 721 HD2 TYR 65 2HD TYR 65 8.083 -1.354 0.002 722 HE1 TYR 65 1HE TYR 65 8.963 -0.380 -4.736 723 HE2 TYR 65 2HE TYR 65 8.906 0.866 -0.659 724 HH TYR 65 HH TYR 65 10.350 1.735 -2.813 725 H THR 66 H THR 66 6.577 -5.779 -2.983 726 HA THR 66 HA THR 66 5.495 -7.548 -0.931 727 HB THR 66 HB THR 66 3.707 -7.059 -2.674 728 HG1 THR 66 1HG THR 66 3.535 -8.894 -1.380 729 HG21 THR 66 3HG2 THR 66 5.528 -8.756 -4.387 730 HG22 THR 66 1HG2 THR 66 5.110 -7.065 -4.665 731 HG23 THR 66 2HG2 THR 66 3.869 -8.312 -4.784 732 H LYS 67 H LYS 67 5.802 -9.922 -1.833 733 HA LYS 67 HA LYS 67 7.980 -10.479 -3.528 734 HB2 LYS 67 2HB LYS 67 9.031 -9.483 -1.323 735 HB3 LYS 67 1HB LYS 67 8.688 -11.081 -0.677 736 HG2 LYS 67 2HG LYS 67 9.997 -12.035 -2.591 737 HG3 LYS 67 1HG LYS 67 10.474 -10.384 -2.994 738 HD2 LYS 67 2HD LYS 67 11.143 -10.319 -0.447 739 HD3 LYS 67 1HD LYS 67 11.238 -12.067 -0.661 740 HE2 LYS 67 2HE LYS 67 13.401 -11.298 -1.111 741 HE3 LYS 67 1HE LYS 67 12.683 -11.571 -2.698 742 HZ1 LYS 67 3HZ LYS 67 12.061 -9.051 -2.439 743 HZ2 LYS 67 1HZ LYS 67 13.599 -9.510 -2.979 744 HZ3 LYS 67 2HZ LYS 67 13.373 -9.043 -1.369 745 H SER 68 H SER 68 7.573 -12.117 -0.461 746 HA SER 68 HA SER 68 6.710 -14.517 -1.784 747 HB2 SER 68 2HB SER 68 6.611 -14.576 1.118 748 HB3 SER 68 1HB SER 68 7.639 -15.494 0.014 749 HG SER 68 HG SER 68 9.157 -14.269 0.801 750 H GLY 69 H GLY 69 4.787 -12.606 -2.203 751 HA2 GLY 69 1HA GLY 69 2.488 -12.483 -2.200 752 HA3 GLY 69 2HA GLY 69 2.468 -13.915 -1.185 753 H MET 70 H MET 70 4.403 -11.609 0.239 754 HA MET 70 HA MET 70 2.295 -10.991 2.163 755 HB2 MET 70 2HB MET 70 4.661 -11.927 2.729 756 HB3 MET 70 1HB MET 70 5.185 -10.262 2.514 757 HG2 MET 70 2HG MET 70 3.634 -9.542 4.251 758 HG3 MET 70 1HG MET 70 3.083 -11.203 4.454 759 HE1 MET 70 3HE MET 70 5.857 -13.066 6.077 760 HE2 MET 70 1HE MET 70 4.631 -13.097 4.811 761 HE3 MET 70 2HE MET 70 6.314 -12.756 4.402 762 H ILE 71 H ILE 71 1.773 -8.905 2.788 763 HA ILE 71 HA ILE 71 2.520 -6.803 0.888 764 HB ILE 71 HB ILE 71 0.362 -6.827 3.009 765 HG12 ILE 71 2HG1 ILE 71 -0.779 -6.648 0.451 766 HG13 ILE 71 1HG1 ILE 71 0.451 -7.902 0.324 767 HG21 ILE 71 1HG2 ILE 71 0.657 -4.594 2.754 768 HG22 ILE 71 2HG2 ILE 71 1.339 -4.752 1.137 769 HG23 ILE 71 3HG2 ILE 71 -0.406 -4.874 1.377 770 HD11 ILE 71 3HD1 ILE 71 -2.134 -7.961 1.608 771 HD12 ILE 71 1HD1 ILE 71 -1.071 -9.286 1.134 772 HD13 ILE 71 2HD1 ILE 71 -0.841 -8.484 2.688 773 H LEU 72 H LEU 72 4.252 -5.619 1.495 774 HA LEU 72 HA LEU 72 4.548 -5.034 4.371 775 HB2 LEU 72 2HB LEU 72 6.862 -5.430 2.490 776 HB3 LEU 72 1HB LEU 72 6.898 -5.332 4.240 777 HG LEU 72 HG LEU 72 5.238 -7.529 3.576 778 HD11 LEU 72 1HD1 LEU 72 6.405 -8.834 2.087 779 HD12 LEU 72 2HD1 LEU 72 6.590 -7.235 1.366 780 HD13 LEU 72 3HD1 LEU 72 7.906 -7.935 2.308 781 HD21 LEU 72 3HD2 LEU 72 6.846 -8.764 4.836 782 HD22 LEU 72 1HD2 LEU 72 8.083 -7.540 4.558 783 HD23 LEU 72 2HD2 LEU 72 6.689 -7.170 5.571 784 H CYS 73 H CYS 73 5.381 -3.006 4.908 785 HA CYS 73 HA CYS 73 5.121 -0.974 2.886 786 HB2 CYS 73 2HB CYS 73 5.541 0.605 4.707 787 HB3 CYS 73 1HB CYS 73 4.318 -0.569 5.180 788 H ARG 74 H ARG 74 6.976 0.821 3.158 789 HA ARG 74 HA ARG 74 9.178 -0.174 1.773 790 HB2 ARG 74 2HB ARG 74 8.210 2.334 2.478 791 HB3 ARG 74 1HB ARG 74 9.790 2.261 3.243 792 HG2 ARG 74 2HG ARG 74 10.237 1.273 0.699 793 HG3 ARG 74 1HG ARG 74 9.092 2.594 0.459 794 HD2 ARG 74 2HD ARG 74 10.614 4.157 0.981 795 HD3 ARG 74 1HD ARG 74 11.259 3.214 2.324 796 HE ARG 74 HE ARG 74 12.642 2.026 0.753 797 HH11 ARG 74 2HH1 ARG 74 11.065 4.894 -0.503 798 HH12 ARG 74 1HH1 ARG 74 12.189 5.082 -1.825 799 HH21 ARG 74 2HH2 ARG 74 14.088 2.250 -0.978 800 HH22 ARG 74 1HH2 ARG 74 13.898 3.561 -2.106 801 H ASN 75 H ASN 75 8.973 0.826 5.186 802 HA ASN 75 HA ASN 75 11.711 0.248 5.724 803 HB2 ASN 75 2HB ASN 75 9.537 1.474 7.082 804 HB3 ASN 75 1HB ASN 75 10.153 0.195 8.124 805 HD21 ASN 75 1HD2 ASN 75 11.788 0.693 9.383 806 HD22 ASN 75 2HD2 ASN 75 12.862 2.033 9.168 807 H ASP 76 H ASP 76 8.720 -1.548 6.044 808 HA ASP 76 HA ASP 76 9.835 -3.531 7.796 809 HB2 ASP 76 2HB ASP 76 7.210 -2.968 6.589 810 HB3 ASP 76 1HB ASP 76 7.553 -4.673 6.864 811 H TYR 77 H TYR 77 9.169 -3.287 4.360 812 HA TYR 77 HA TYR 77 9.407 -5.947 3.611 813 HB2 TYR 77 2HB TYR 77 8.680 -4.139 2.096 814 HB3 TYR 77 1HB TYR 77 10.324 -3.512 2.068 815 HD1 TYR 77 1HD TYR 77 9.767 -7.124 2.062 816 HD2 TYR 77 2HD TYR 77 10.415 -3.689 -0.356 817 HE1 TYR 77 1HE TYR 77 10.233 -8.578 0.131 818 HE2 TYR 77 2HE TYR 77 10.899 -5.127 -2.287 819 HH TYR 77 HH TYR 77 10.010 -7.845 -2.787 820 H ILE 78 H ILE 78 11.936 -3.465 3.802 821 HA ILE 78 HA ILE 78 13.960 -5.249 2.891 822 HB ILE 78 HB ILE 78 14.623 -2.773 4.442 823 HG12 ILE 78 2HG1 ILE 78 13.971 -2.586 1.525 824 HG13 ILE 78 1HG1 ILE 78 12.670 -2.478 2.704 825 HG21 ILE 78 1HG2 ILE 78 15.835 -3.619 1.853 826 HG22 ILE 78 2HG2 ILE 78 16.559 -2.742 3.199 827 HG23 ILE 78 3HG2 ILE 78 16.257 -4.475 3.335 828 HD11 ILE 78 3HD1 ILE 78 13.197 -0.393 3.227 829 HD12 ILE 78 1HD1 ILE 78 14.909 -0.779 3.389 830 HD13 ILE 78 2HD1 ILE 78 14.235 -0.407 1.802 831 H ARG 79 H ARG 79 12.653 -4.418 5.971 832 HA ARG 79 HA ARG 79 14.794 -5.382 7.584 833 HB2 ARG 79 2HB ARG 79 11.916 -4.708 8.057 834 HB3 ARG 79 1HB ARG 79 12.830 -5.548 9.301 835 HG2 ARG 79 2HG ARG 79 14.532 -3.660 9.077 836 HG3 ARG 79 1HG ARG 79 13.271 -2.806 8.185 837 HD2 ARG 79 2HD ARG 79 12.905 -2.060 10.331 838 HD3 ARG 79 1HD ARG 79 11.786 -3.418 10.229 839 HE ARG 79 HE ARG 79 13.832 -4.664 11.279 840 HH11 ARG 79 2HH1 ARG 79 12.669 -1.447 12.008 841 HH12 ARG 79 1HH1 ARG 79 13.256 -1.463 13.649 842 HH21 ARG 79 2HH2 ARG 79 14.542 -4.733 13.441 843 HH22 ARG 79 1HH2 ARG 79 14.307 -3.355 14.476 844 H LEU 80 H LEU 80 11.810 -6.787 6.321 845 HA LEU 80 HA LEU 80 12.227 -9.290 7.675 846 HB2 LEU 80 2HB LEU 80 10.125 -8.044 6.120 847 HB3 LEU 80 1HB LEU 80 10.378 -9.707 5.625 848 HG LEU 80 HG LEU 80 10.231 -9.300 8.536 849 HD11 LEU 80 1HD1 LEU 80 7.713 -9.228 8.410 850 HD12 LEU 80 2HD1 LEU 80 8.548 -7.727 8.014 851 HD13 LEU 80 3HD1 LEU 80 7.897 -8.739 6.726 852 HD21 LEU 80 3HD2 LEU 80 9.664 -11.330 6.521 853 HD22 LEU 80 1HD2 LEU 80 10.096 -11.509 8.221 854 HD23 LEU 80 2HD2 LEU 80 8.418 -11.216 7.764 855 H PHE 81 H PHE 81 12.168 -8.365 4.224 856 HA PHE 81 HA PHE 81 13.729 -10.807 3.682 857 HB2 PHE 81 2HB PHE 81 11.763 -9.356 1.900 858 HB3 PHE 81 1HB PHE 81 12.732 -10.739 1.405 859 HD1 PHE 81 2HD PHE 81 12.309 -12.957 2.379 860 HD2 PHE 81 1HD PHE 81 9.819 -9.618 3.234 861 HE1 PHE 81 2HE PHE 81 10.566 -14.480 3.218 862 HE2 PHE 81 1HE PHE 81 8.065 -11.133 4.070 863 HZ PHE 81 HZ PHE 81 8.439 -13.567 4.062 864 H GLY 82 H GLY 82 13.153 -7.524 2.433 865 HA2 GLY 82 1HA GLY 82 14.698 -6.013 1.581 866 HA3 GLY 82 2HA GLY 82 15.974 -7.192 1.883 Start of MODEL 9 1 H SER 641 1H SER 641 27.160 11.444 16.332 2 HA SER 641 HA SER 641 25.530 12.496 18.326 3 HB2 SER 641 2HB SER 641 23.687 11.898 16.136 4 HB3 SER 641 1HB SER 641 23.662 13.231 17.295 5 HG SER 641 HG SER 641 24.370 14.448 15.740 6 H LEU 642 H LEU 642 25.985 10.614 19.351 7 HA LEU 642 HA LEU 642 24.746 8.203 18.231 8 HB2 LEU 642 2HB LEU 642 27.539 8.508 19.293 9 HB3 LEU 642 1HB LEU 642 26.718 6.961 19.368 10 HG LEU 642 HG LEU 642 27.122 8.483 16.794 11 HD11 LEU 642 1HD1 LEU 642 29.115 7.281 18.342 12 HD12 LEU 642 2HD1 LEU 642 28.744 6.124 17.063 13 HD13 LEU 642 3HD1 LEU 642 29.220 7.772 16.652 14 HD21 LEU 642 3HD2 LEU 642 25.305 6.712 17.036 15 HD22 LEU 642 1HD2 LEU 642 26.454 6.508 15.712 16 HD23 LEU 642 2HD2 LEU 642 26.621 5.548 17.183 17 H GLN 643 H GLN 643 23.008 8.518 19.590 18 HA GLN 643 HA GLN 643 21.759 8.197 21.456 19 HB2 GLN 643 2HB GLN 643 23.516 6.225 21.652 20 HB3 GLN 643 1HB GLN 643 24.079 7.158 23.030 21 HG2 GLN 643 2HG GLN 643 21.485 7.138 23.607 22 HG3 GLN 643 1HG GLN 643 21.557 5.658 22.651 23 HE21 GLN 643 1HE2 GLN 643 22.035 3.876 23.703 24 HE22 GLN 643 2HE2 GLN 643 22.842 3.787 25.234 25 H ASN 644 H ASN 644 22.848 10.684 20.996 26 HA ASN 644 HA ASN 644 23.681 11.588 23.675 27 HB2 ASN 644 2HB ASN 644 25.084 11.951 21.437 28 HB3 ASN 644 1HB ASN 644 24.029 13.358 21.307 29 HD21 ASN 644 1HD2 ASN 644 26.854 12.181 22.560 30 HD22 ASN 644 2HD2 ASN 644 27.166 13.401 23.753 31 H ASN 645 H ASN 645 22.516 13.687 21.115 32 HA ASN 645 HA ASN 645 20.072 14.181 22.666 33 HB2 ASN 645 2HB ASN 645 22.019 15.831 23.136 34 HB3 ASN 645 1HB ASN 645 21.658 16.468 21.535 35 HD21 ASN 645 1HD2 ASN 645 21.294 17.298 24.506 36 HD22 ASN 645 2HD2 ASN 645 19.703 17.982 24.505 37 H GLN 646 H GLN 646 21.711 15.488 19.772 38 HA GLN 646 HA GLN 646 19.176 15.568 18.367 39 HB2 GLN 646 2HB GLN 646 21.420 17.127 18.258 40 HB3 GLN 646 1HB GLN 646 21.619 16.118 16.830 41 HG2 GLN 646 2HG GLN 646 20.367 17.680 15.834 42 HG3 GLN 646 1HG GLN 646 19.021 16.831 16.595 43 HE21 GLN 646 1HE2 GLN 646 19.106 19.578 15.842 44 HE22 GLN 646 2HE2 GLN 646 18.920 20.516 17.289 45 H ASP 647 H ASP 647 19.415 13.061 18.882 46 HA ASP 647 HA ASP 647 20.843 11.661 16.750 47 HB2 ASP 647 2HB ASP 647 19.754 10.963 19.412 48 HB3 ASP 647 1HB ASP 647 19.624 9.703 18.191 49 H VAL 648 H VAL 648 19.022 12.993 15.476 50 HA VAL 648 HA VAL 648 16.652 11.260 15.242 51 HB VAL 648 HB VAL 648 16.364 13.930 14.086 52 HG11 VAL 648 1HG1 VAL 648 14.790 12.075 15.818 53 HG12 VAL 648 2HG1 VAL 648 14.277 13.748 15.603 54 HG13 VAL 648 3HG1 VAL 648 14.424 12.686 14.205 55 HG21 VAL 648 3HG2 VAL 648 16.631 13.707 17.087 56 HG22 VAL 648 1HG2 VAL 648 17.745 14.560 16.018 57 HG23 VAL 648 2HG2 VAL 648 16.084 15.125 16.192 58 H SER 649 H SER 649 18.055 13.790 13.162 59 HA SER 649 HA SER 649 17.626 11.991 10.890 60 HB2 SER 649 2HB SER 649 18.412 14.798 10.390 61 HB3 SER 649 1HB SER 649 17.150 13.827 9.632 62 HG SER 649 HG SER 649 16.961 15.615 11.656 63 H PHE 650 H PHE 650 19.256 11.135 9.796 64 HA PHE 650 HA PHE 650 21.980 11.988 10.457 65 HB2 PHE 650 2HB PHE 650 20.838 9.442 9.331 66 HB3 PHE 650 1HB PHE 650 22.558 9.804 9.215 67 HD1 PHE 650 1HD PHE 650 23.068 11.090 11.809 68 HD2 PHE 650 2HD PHE 650 20.708 7.680 10.842 69 HE1 PHE 650 1HE PHE 650 23.416 10.212 14.080 70 HE2 PHE 650 2HE PHE 650 21.052 6.796 13.116 71 HZ PHE 650 HZ PHE 650 22.410 8.067 14.736 72 H GLU 651 H GLU 651 22.263 13.741 9.177 73 HA GLU 651 HA GLU 651 21.404 14.009 6.510 74 HB2 GLU 651 2HB GLU 651 23.450 15.761 6.629 75 HB3 GLU 651 1HB GLU 651 21.865 16.075 7.321 76 HG2 GLU 651 2HG GLU 651 22.949 16.499 9.211 77 HG3 GLU 651 1HG GLU 651 23.149 14.753 9.348 78 H ASN 652 H ASN 652 24.078 12.377 7.869 79 HA ASN 652 HA ASN 652 25.937 12.622 5.775 80 HB2 ASN 652 2HB ASN 652 25.806 11.312 8.284 81 HB3 ASN 652 1HB ASN 652 26.263 10.105 7.084 82 HD21 ASN 652 1HD2 ASN 652 27.024 13.421 8.099 83 HD22 ASN 652 2HD2 ASN 652 28.719 13.303 7.753 84 H ILE 653 H ILE 653 23.182 10.533 6.190 85 HA ILE 653 HA ILE 653 23.980 9.058 3.773 86 HB ILE 653 HB ILE 653 21.917 7.592 4.560 87 HG12 ILE 653 2HG1 ILE 653 23.026 8.192 7.261 88 HG13 ILE 653 1HG1 ILE 653 21.831 9.310 6.611 89 HG21 ILE 653 1HG2 ILE 653 24.723 7.470 4.699 90 HG22 ILE 653 2HG2 ILE 653 24.103 6.790 6.206 91 HG23 ILE 653 3HG2 ILE 653 23.576 6.129 4.659 92 HD11 ILE 653 3HD1 ILE 653 21.147 6.454 6.432 93 HD12 ILE 653 1HD1 ILE 653 21.218 7.138 8.056 94 HD13 ILE 653 2HD1 ILE 653 20.144 7.843 6.847 95 H GLN 654 H GLN 654 23.092 11.576 3.432 96 HA GLN 654 HA GLN 654 20.300 11.365 2.596 97 HB2 GLN 654 2HB GLN 654 22.161 13.603 3.162 98 HB3 GLN 654 1HB GLN 654 20.981 13.872 1.888 99 HG2 GLN 654 2HG GLN 654 20.356 13.048 4.712 100 HG3 GLN 654 1HG GLN 654 20.191 14.674 4.048 101 HE21 GLN 654 1HE2 GLN 654 18.255 12.687 5.185 102 HE22 GLN 654 2HE2 GLN 654 16.995 12.596 4.005 103 H TRP 655 H TRP 655 20.948 9.765 0.974 104 HA TRP 655 HA TRP 655 22.582 10.471 -1.229 105 HB2 TRP 655 2HB TRP 655 20.703 8.588 -2.145 106 HB3 TRP 655 1HB TRP 655 22.341 8.271 -1.586 107 HD1 TRP 655 HD TRP 655 22.621 7.013 0.693 108 HE1 TRP 655 1HE TRP 655 20.972 5.956 2.363 109 HE3 TRP 655 3HE TRP 655 18.254 8.953 -1.135 110 HZ2 TRP 655 2HZ TRP 655 18.197 5.948 2.844 111 HZ3 TRP 655 3HZ TRP 655 16.145 8.370 -0.006 112 HH2 TRP 655 HH TRP 655 16.119 6.899 1.941 113 H SER 656 H SER 656 21.981 11.105 -3.340 114 HA SER 656 HA SER 656 19.374 12.483 -3.430 115 HB2 SER 656 2HB SER 656 21.801 13.321 -5.011 116 HB3 SER 656 1HB SER 656 20.353 14.259 -4.644 117 HG SER 656 HG SER 656 22.153 13.337 -2.646 118 H ILE 657 H ILE 657 19.328 9.920 -4.141 119 HA ILE 657 HA ILE 657 19.254 9.973 -7.085 120 HB ILE 657 HB ILE 657 19.375 7.359 -6.709 121 HG12 ILE 657 2HG1 ILE 657 21.380 7.427 -4.793 122 HG13 ILE 657 1HG1 ILE 657 20.139 8.477 -4.118 123 HG21 ILE 657 1HG2 ILE 657 21.605 9.351 -6.826 124 HG22 ILE 657 2HG2 ILE 657 21.939 7.619 -6.819 125 HG23 ILE 657 3HG2 ILE 657 20.957 8.320 -8.104 126 HD11 ILE 657 3HD1 ILE 657 19.075 6.681 -3.405 127 HD12 ILE 657 1HD1 ILE 657 18.809 6.201 -5.083 128 HD13 ILE 657 2HD1 ILE 657 20.236 5.630 -4.217 129 H ASP 658 H ASP 658 17.843 7.728 -7.602 130 HA ASP 658 HA ASP 658 15.172 8.460 -6.870 131 HB2 ASP 658 2HB ASP 658 15.934 7.395 -9.072 132 HB3 ASP 658 1HB ASP 658 16.001 5.875 -8.190 133 HA PRO 659 HA PRO 659 15.244 6.111 -3.032 134 HB2 PRO 659 2HB PRO 659 12.577 6.524 -2.491 135 HB3 PRO 659 1HB PRO 659 13.863 7.657 -2.070 136 HG2 PRO 659 2HG PRO 659 11.998 7.693 -4.405 137 HG3 PRO 659 1HG PRO 659 12.558 9.042 -3.398 138 HD2 PRO 659 2HD PRO 659 13.588 8.578 -5.831 139 HD3 PRO 659 1HD PRO 659 14.590 9.181 -4.495 140 H GLY 660 H GLY 660 13.208 5.692 -5.814 141 HA2 GLY 660 1HA GLY 660 12.407 3.009 -4.883 142 HA3 GLY 660 2HA GLY 660 11.596 3.931 -6.141 143 H ALA 661 H ALA 661 15.065 3.752 -5.989 144 HA ALA 661 HA ALA 661 15.301 2.712 -8.607 145 HB1 ALA 661 1HB ALA 661 17.320 3.025 -6.393 146 HB2 ALA 661 2HB ALA 661 17.729 2.447 -8.010 147 HB3 ALA 661 3HB ALA 661 17.073 4.070 -7.793 148 H ASP 662 H ASP 662 15.977 1.235 -5.439 149 HA ASP 662 HA ASP 662 16.179 -1.398 -6.623 150 HB2 ASP 662 2HB ASP 662 17.399 -0.382 -4.473 151 HB3 ASP 662 1HB ASP 662 15.969 -1.021 -3.671 152 H LEU 663 H LEU 663 14.874 -3.183 -5.679 153 HA LEU 663 HA LEU 663 12.842 -4.211 -5.680 154 HB2 LEU 663 2HB LEU 663 11.375 -2.573 -3.883 155 HB3 LEU 663 1HB LEU 663 12.137 -4.119 -3.580 156 HG LEU 663 HG LEU 663 13.932 -1.770 -3.478 157 HD11 LEU 663 1HD1 LEU 663 13.130 -1.465 -1.041 158 HD12 LEU 663 2HD1 LEU 663 12.251 -0.663 -2.344 159 HD13 LEU 663 3HD1 LEU 663 11.616 -2.148 -1.630 160 HD21 LEU 663 3HD2 LEU 663 15.159 -3.104 -2.149 161 HD22 LEU 663 1HD2 LEU 663 13.753 -3.671 -1.249 162 HD23 LEU 663 2HD2 LEU 663 14.149 -4.391 -2.809 163 H SER 664 H SER 664 13.085 -2.286 -7.741 164 HA SER 664 HA SER 664 10.938 -0.471 -7.854 165 HB2 SER 664 2HB SER 664 11.750 -1.245 -10.486 166 HB3 SER 664 1HB SER 664 12.133 0.236 -9.606 167 HG SER 664 HG SER 664 14.028 -0.564 -9.024 168 H GLN 665 H GLN 665 11.294 -3.776 -9.041 169 HA GLN 665 HA GLN 665 8.642 -3.722 -10.214 170 HB2 GLN 665 2HB GLN 665 10.846 -5.757 -10.117 171 HB3 GLN 665 1HB GLN 665 9.229 -6.203 -10.648 172 HG2 GLN 665 2HG GLN 665 11.000 -4.101 -11.880 173 HG3 GLN 665 1HG GLN 665 10.629 -5.688 -12.553 174 HE21 GLN 665 1HE2 GLN 665 9.940 -2.538 -12.860 175 HE22 GLN 665 2HE2 GLN 665 8.324 -2.634 -13.485 176 H TYR 666 H TYR 666 9.849 -4.192 -7.147 177 HA TYR 666 HA TYR 666 8.128 -6.425 -6.438 178 HB2 TYR 666 2HB TYR 666 10.191 -4.834 -4.938 179 HB3 TYR 666 1HB TYR 666 9.106 -5.948 -4.103 180 HD1 TYR 666 2HD TYR 666 8.949 -8.238 -5.858 181 HD2 TYR 666 1HD TYR 666 12.291 -5.764 -4.981 182 HE1 TYR 666 2HE TYR 666 10.460 -10.101 -6.396 183 HE2 TYR 666 1HE TYR 666 13.812 -7.614 -5.521 184 HH TYR 666 HH TYR 666 13.521 -9.822 -7.142 185 H LYS 667 H LYS 667 7.824 -3.059 -6.571 186 HA LYS 667 HA LYS 667 6.023 -2.858 -4.324 187 HB2 LYS 667 2HB LYS 667 5.610 -0.526 -5.383 188 HB3 LYS 667 1HB LYS 667 7.152 -0.856 -4.614 189 HG2 LYS 667 2HG LYS 667 8.182 -0.254 -6.472 190 HG3 LYS 667 1HG LYS 667 7.410 -1.592 -7.325 191 HD2 LYS 667 2HD LYS 667 5.517 0.522 -7.007 192 HD3 LYS 667 1HD LYS 667 7.003 1.180 -7.696 193 HE2 LYS 667 2HE LYS 667 6.936 -0.718 -9.353 194 HE3 LYS 667 1HE LYS 667 5.319 -1.079 -8.754 195 HZ1 LYS 667 3HZ LYS 667 4.748 1.286 -9.319 196 HZ2 LYS 667 1HZ LYS 667 5.048 0.264 -10.642 197 HZ3 LYS 667 2HZ LYS 667 6.233 1.369 -10.140 198 H MET 668 H MET 668 3.975 -3.384 -4.374 199 HA MET 668 HA MET 668 2.614 -3.811 -6.903 200 HB2 MET 668 2HB MET 668 2.265 -4.680 -4.150 201 HB3 MET 668 1HB MET 668 0.759 -4.078 -4.828 202 HG2 MET 668 2HG MET 668 0.587 -5.763 -6.327 203 HG3 MET 668 1HG MET 668 2.332 -5.953 -6.489 204 HE1 MET 668 3HE MET 668 0.804 -9.275 -5.626 205 HE2 MET 668 1HE MET 668 1.533 -8.198 -6.819 206 HE3 MET 668 2HE MET 668 2.556 -9.064 -5.672 207 H ASP 669 H ASP 669 2.394 -1.777 -7.762 208 HA ASP 669 HA ASP 669 1.653 0.513 -6.314 209 HB2 ASP 669 2HB ASP 669 2.358 -0.082 -8.990 210 HB3 ASP 669 1HB ASP 669 0.807 0.756 -9.041 211 H VAL 670 H VAL 670 -0.242 1.208 -5.596 212 HA VAL 670 HA VAL 670 -2.419 -0.667 -5.803 213 HB VAL 670 HB VAL 670 -2.142 1.862 -4.176 214 HG11 VAL 670 1HG1 VAL 670 -4.123 -0.204 -3.449 215 HG12 VAL 670 2HG1 VAL 670 -4.199 1.549 -3.288 216 HG13 VAL 670 3HG1 VAL 670 -4.502 0.792 -4.853 217 HG21 VAL 670 3HG2 VAL 670 -1.531 0.518 -2.367 218 HG22 VAL 670 1HG2 VAL 670 -2.113 -0.956 -3.144 219 HG23 VAL 670 2HG2 VAL 670 -0.639 -0.174 -3.722 220 H THR 671 H THR 671 -3.817 -0.557 -7.372 221 HA THR 671 HA THR 671 -4.581 1.965 -8.586 222 HB THR 671 HB THR 671 -6.038 -0.556 -9.236 223 HG1 THR 671 1HG THR 671 -3.284 -0.092 -9.881 224 HG21 THR 671 3HG2 THR 671 -5.495 0.352 -11.570 225 HG22 THR 671 1HG2 THR 671 -4.920 1.799 -10.744 226 HG23 THR 671 2HG2 THR 671 -6.603 1.295 -10.575 227 H VAL 672 H VAL 672 -6.363 3.112 -7.998 228 HA VAL 672 HA VAL 672 -8.078 1.871 -5.963 229 HB VAL 672 HB VAL 672 -6.962 4.048 -5.420 230 HG11 VAL 672 1HG1 VAL 672 -8.824 5.115 -7.532 231 HG12 VAL 672 2HG1 VAL 672 -8.010 6.117 -6.331 232 HG13 VAL 672 3HG1 VAL 672 -7.065 5.206 -7.508 233 HG21 VAL 672 3HG2 VAL 672 -8.898 3.315 -4.179 234 HG22 VAL 672 1HG2 VAL 672 -8.969 5.063 -4.412 235 HG23 VAL 672 2HG2 VAL 672 -9.975 3.999 -5.397 236 H ILE 673 H ILE 673 -10.160 1.441 -6.298 237 HA ILE 673 HA ILE 673 -11.143 1.783 -9.013 238 HB ILE 673 HB ILE 673 -12.126 0.143 -6.684 239 HG12 ILE 673 2HG1 ILE 673 -11.845 -1.552 -8.774 240 HG13 ILE 673 1HG1 ILE 673 -10.642 -0.341 -9.207 241 HG21 ILE 673 1HG2 ILE 673 -13.958 1.245 -8.130 242 HG22 ILE 673 2HG2 ILE 673 -13.439 0.107 -9.376 243 HG23 ILE 673 3HG2 ILE 673 -14.045 -0.493 -7.833 244 HD11 ILE 673 3HD1 ILE 673 -10.687 -2.245 -6.940 245 HD12 ILE 673 1HD1 ILE 673 -9.353 -1.751 -7.983 246 HD13 ILE 673 2HD1 ILE 673 -9.911 -0.681 -6.696 247 H ASP 674 H ASP 674 -12.434 3.364 -9.573 248 HA ASP 674 HA ASP 674 -13.526 5.205 -7.702 249 HB2 ASP 674 2HB ASP 674 -13.006 6.174 -9.763 250 HB3 ASP 674 1HB ASP 674 -13.712 4.845 -10.676 251 H THR 675 H THR 675 -15.139 4.634 -6.401 252 HA THR 675 HA THR 675 -17.310 2.974 -7.352 253 HB THR 675 HB THR 675 -17.654 4.301 -4.755 254 HG1 THR 675 1HG THR 675 -15.956 2.762 -3.893 255 HG21 THR 675 3HG2 THR 675 -18.760 2.397 -4.323 256 HG22 THR 675 1HG2 THR 675 -17.391 1.401 -4.818 257 HG23 THR 675 2HG2 THR 675 -18.531 2.000 -6.026 258 H LYS 676 H LYS 676 -18.414 4.113 -8.857 259 HA LYS 676 HA LYS 676 -18.925 6.871 -8.784 260 HB2 LYS 676 2HB LYS 676 -19.184 6.163 -10.916 261 HB3 LYS 676 1HB LYS 676 -19.736 4.568 -10.432 262 HG2 LYS 676 2HG LYS 676 -21.709 6.599 -9.841 263 HG3 LYS 676 1HG LYS 676 -21.255 6.595 -11.548 264 HD2 LYS 676 2HD LYS 676 -21.518 3.978 -11.233 265 HD3 LYS 676 1HD LYS 676 -22.593 4.486 -9.927 266 HE2 LYS 676 2HE LYS 676 -22.948 5.898 -12.483 267 HE3 LYS 676 1HE LYS 676 -23.353 4.182 -12.508 268 HZ1 LYS 676 3HZ LYS 676 -24.380 5.875 -10.335 269 HZ2 LYS 676 1HZ LYS 676 -25.040 4.461 -11.008 270 HZ3 LYS 676 2HZ LYS 676 -25.129 5.929 -11.857 271 H ASP 677 H ASP 677 -20.751 4.111 -7.591 272 HA ASP 677 HA ASP 677 -23.113 5.607 -6.967 273 HB2 ASP 677 2HB ASP 677 -22.956 3.080 -7.308 274 HB3 ASP 677 1HB ASP 677 -22.291 3.002 -5.680 275 H GLY 678 H GLY 678 -22.014 7.395 -5.936 276 HA2 GLY 678 1HA GLY 678 -22.352 7.595 -3.235 277 HA3 GLY 678 2HA GLY 678 -20.695 7.031 -3.416 278 H SER 679 H SER 679 -19.631 8.319 -5.417 279 HA SER 679 HA SER 679 -19.506 11.044 -4.519 280 HB2 SER 679 2HB SER 679 -18.118 10.369 -7.020 281 HB3 SER 679 1HB SER 679 -17.484 11.065 -5.527 282 HG SER 679 HG SER 679 -16.945 8.729 -6.282 283 H GLN 680 H GLN 680 -20.605 9.355 -7.437 284 HA GLN 680 HA GLN 680 -21.366 11.736 -8.810 285 HB2 GLN 680 2HB GLN 680 -20.877 9.477 -9.869 286 HB3 GLN 680 1HB GLN 680 -22.452 8.957 -9.288 287 HG2 GLN 680 2HG GLN 680 -22.875 11.383 -10.632 288 HG3 GLN 680 1HG GLN 680 -21.784 10.431 -11.640 289 HE21 GLN 680 1HE2 GLN 680 -24.393 11.101 -12.377 290 HE22 GLN 680 2HE2 GLN 680 -25.326 9.640 -12.461 291 H SER 681 H SER 681 -22.872 13.042 -7.961 292 HA SER 681 HA SER 681 -25.333 11.812 -6.907 293 HB2 SER 681 2HB SER 681 -24.837 14.197 -5.451 294 HB3 SER 681 1HB SER 681 -24.854 12.541 -4.844 295 HG SER 681 HG SER 681 -22.564 12.683 -5.962 296 H LYS 682 H LYS 682 -24.599 13.173 -9.472 297 HA LYS 682 HA LYS 682 -26.041 15.681 -9.395 298 HB2 LYS 682 2HB LYS 682 -24.060 14.756 -11.009 299 HB3 LYS 682 1HB LYS 682 -25.465 14.457 -12.020 300 HG2 LYS 682 2HG LYS 682 -25.323 16.565 -12.679 301 HG3 LYS 682 1HG LYS 682 -25.834 17.037 -11.056 302 HD2 LYS 682 2HD LYS 682 -22.978 16.574 -11.902 303 HD3 LYS 682 1HD LYS 682 -23.751 18.156 -11.785 304 HE2 LYS 682 2HE LYS 682 -23.945 16.444 -9.389 305 HE3 LYS 682 1HE LYS 682 -22.329 17.020 -9.797 306 HZ1 LYS 682 3HZ LYS 682 -24.529 18.448 -8.678 307 HZ2 LYS 682 1HZ LYS 682 -23.934 19.222 -10.066 308 HZ3 LYS 682 2HZ LYS 682 -22.895 18.886 -8.770 309 H LEU 683 H LEU 683 -26.728 12.372 -10.053 310 HA LEU 683 HA LEU 683 -29.522 13.086 -10.546 311 HB2 LEU 683 2HB LEU 683 -27.818 12.080 -12.530 312 HB3 LEU 683 1HB LEU 683 -28.763 10.700 -12.004 313 HG LEU 683 HG LEU 683 -30.385 13.085 -12.476 314 HD11 LEU 683 1HD1 LEU 683 -28.321 12.744 -14.280 315 HD12 LEU 683 2HD1 LEU 683 -29.693 11.943 -15.047 316 HD13 LEU 683 3HD1 LEU 683 -29.821 13.632 -14.555 317 HD21 LEU 683 3HD2 LEU 683 -30.915 10.497 -12.208 318 HD22 LEU 683 1HD2 LEU 683 -31.922 11.567 -13.185 319 HD23 LEU 683 2HD2 LEU 683 -30.717 10.539 -13.960 320 H GLY 684 H GLY 684 -31.009 11.386 -9.965 321 HA2 GLY 684 1HA GLY 684 -30.284 8.913 -8.904 322 HA3 GLY 684 2HA GLY 684 -30.290 10.069 -7.578 323 H GLY 685 H GLY 685 -31.991 8.425 -6.929 324 HA2 GLY 685 1HA GLY 685 -34.587 9.575 -7.639 325 HA3 GLY 685 2HA GLY 685 -34.378 7.844 -7.877 326 H GLY 901 H GLY 901 -35.628 10.018 -5.822 327 HA2 GLY 901 1HA GLY 901 -35.050 8.329 -3.460 328 HA3 GLY 901 2HA GLY 901 -35.309 10.065 -3.362 329 H GLY 902 H GLY 902 -37.149 10.391 -2.334 330 HA2 GLY 902 1HA GLY 902 -39.414 10.411 -1.934 331 HA3 GLY 902 2HA GLY 902 -39.637 9.504 -3.423 332 H SER 903 H SER 903 -41.297 8.365 -2.230 333 HA SER 903 HA SER 903 -40.562 6.645 -0.059 334 HB2 SER 903 2HB SER 903 -42.987 5.894 -1.481 335 HB3 SER 903 1HB SER 903 -42.792 6.453 0.181 336 HG SER 903 HG SER 903 -43.744 8.187 -0.544 337 H GLY 904 H GLY 904 -38.775 5.521 -0.998 338 HA2 GLY 904 1HA GLY 904 -38.164 3.325 -1.700 339 HA3 GLY 904 2HA GLY 904 -39.603 3.280 -2.714 340 H GLY 905 H GLY 905 -36.462 4.863 -2.341 341 HA2 GLY 905 1HA GLY 905 -36.507 5.849 -5.059 342 HA3 GLY 905 2HA GLY 905 -35.191 6.016 -3.908 343 H HIS 906 H HIS 906 -35.317 3.049 -3.409 344 HA HIS 906 HA HIS 906 -33.906 2.244 -5.867 345 HB2 HIS 906 2HB HIS 906 -32.637 2.610 -3.566 346 HB3 HIS 906 1HB HIS 906 -33.253 0.996 -3.228 347 HD1 HIS 906 1HD HIS 906 -31.353 2.670 -6.106 348 HD2 HIS 906 2HD HIS 906 -31.528 -0.902 -3.982 349 HE1 HIS 906 1HE HIS 906 -29.537 1.185 -7.056 350 H MET 907 H MET 907 -34.415 0.315 -6.765 351 HA MET 907 HA MET 907 -36.765 -1.050 -5.772 352 HB2 MET 907 2HB MET 907 -36.564 -0.712 -8.162 353 HB3 MET 907 1HB MET 907 -35.004 -1.517 -8.187 354 HG2 MET 907 2HG MET 907 -36.674 -3.416 -7.092 355 HG3 MET 907 1HG MET 907 -37.683 -2.632 -8.305 356 HE1 MET 907 3HE MET 907 -35.408 -5.000 -7.297 357 HE2 MET 907 1HE MET 907 -35.718 -6.074 -8.663 358 HE3 MET 907 2HE MET 907 -34.160 -5.260 -8.515 359 H GLY 908 H GLY 908 -33.328 -1.652 -6.153 360 HA2 GLY 908 1HA GLY 908 -32.706 -3.049 -3.993 361 HA3 GLY 908 2HA GLY 908 -33.549 -4.286 -4.921 362 H SER 909 H SER 909 -30.588 -3.496 -4.113 363 HA SER 909 HA SER 909 -29.250 -3.356 -6.632 364 HB2 SER 909 2HB SER 909 -27.863 -4.418 -4.212 365 HB3 SER 909 1HB SER 909 -27.290 -3.271 -5.421 366 HG SER 909 HG SER 909 -29.211 -1.985 -4.349 367 H GLY 910 H GLY 910 -29.190 -4.969 -8.059 368 HA2 GLY 910 1HA GLY 910 -29.721 -7.691 -7.321 369 HA3 GLY 910 2HA GLY 910 -29.302 -7.109 -8.924 370 H GLY 911 H GLY 911 -27.873 -7.657 -5.731 371 HA2 GLY 911 1HA GLY 911 -25.954 -9.406 -6.047 372 HA3 GLY 911 2HA GLY 911 -25.256 -8.091 -6.985 373 H LEU 18 H LEU 18 -26.158 -9.195 -3.811 374 HA LEU 18 HA LEU 18 -25.280 -6.712 -2.565 375 HB2 LEU 18 2HB LEU 18 -26.346 -9.239 -1.301 376 HB3 LEU 18 1HB LEU 18 -26.084 -7.709 -0.486 377 HG LEU 18 HG LEU 18 -27.799 -7.230 -2.708 378 HD11 LEU 18 1HD1 LEU 18 -29.373 -8.825 -2.707 379 HD12 LEU 18 2HD1 LEU 18 -28.091 -9.838 -2.039 380 HD13 LEU 18 3HD1 LEU 18 -29.261 -9.078 -0.963 381 HD21 LEU 18 3HD2 LEU 18 -27.790 -6.937 0.225 382 HD22 LEU 18 1HD2 LEU 18 -28.180 -5.766 -1.035 383 HD23 LEU 18 2HD2 LEU 18 -29.376 -6.966 -0.543 384 H SER 19 H SER 19 -23.563 -8.975 -3.875 385 HA SER 19 HA SER 19 -21.807 -9.564 -1.633 386 HB2 SER 19 2HB SER 19 -20.915 -10.372 -4.308 387 HB3 SER 19 1HB SER 19 -21.122 -11.339 -2.849 388 HG SER 19 HG SER 19 -23.350 -11.424 -3.273 389 H TRP 20 H TRP 20 -21.959 -7.624 -4.523 390 HA TRP 20 HA TRP 20 -20.604 -6.086 -5.483 391 HB2 TRP 20 2HB TRP 20 -19.425 -5.422 -2.812 392 HB3 TRP 20 1HB TRP 20 -19.896 -4.343 -4.116 393 HD1 TRP 20 HD TRP 20 -22.890 -4.718 -4.476 394 HE1 TRP 20 1HE TRP 20 -24.579 -4.301 -2.573 395 HE3 TRP 20 3HE TRP 20 -19.749 -5.199 -0.473 396 HZ2 TRP 20 2HZ TRP 20 -24.576 -4.177 0.233 397 HZ3 TRP 20 3HZ TRP 20 -20.671 -4.907 1.791 398 HH2 TRP 20 HH TRP 20 -23.035 -4.407 2.135 399 H LYS 21 H LYS 21 -18.076 -5.683 -3.411 400 HA LYS 21 HA LYS 21 -16.380 -7.496 -4.983 401 HB2 LYS 21 2HB LYS 21 -16.082 -4.708 -4.119 402 HB3 LYS 21 1HB LYS 21 -14.665 -5.700 -3.813 403 HG2 LYS 21 2HG LYS 21 -14.439 -4.638 -5.948 404 HG3 LYS 21 1HG LYS 21 -14.669 -6.369 -6.190 405 HD2 LYS 21 2HD LYS 21 -16.570 -6.060 -7.334 406 HD3 LYS 21 1HD LYS 21 -17.179 -4.895 -6.159 407 HE2 LYS 21 2HE LYS 21 -15.595 -3.223 -7.204 408 HE3 LYS 21 1HE LYS 21 -15.353 -4.398 -8.496 409 HZ1 LYS 21 3HZ LYS 21 -17.314 -2.510 -8.399 410 HZ2 LYS 21 1HZ LYS 21 -18.122 -3.929 -7.931 411 HZ3 LYS 21 2HZ LYS 21 -17.299 -3.874 -9.411 412 H ARG 22 H ARG 22 -15.027 -8.868 -3.965 413 HA ARG 22 HA ARG 22 -15.670 -9.554 -1.255 414 HB2 ARG 22 2HB ARG 22 -15.188 -11.191 -3.110 415 HB3 ARG 22 1HB ARG 22 -13.500 -10.710 -3.016 416 HG2 ARG 22 2HG ARG 22 -13.437 -12.536 -1.683 417 HG3 ARG 22 1HG ARG 22 -13.852 -11.324 -0.469 418 HD2 ARG 22 2HD ARG 22 -16.308 -12.025 -1.388 419 HD3 ARG 22 1HD ARG 22 -15.434 -13.549 -1.544 420 HE ARG 22 HE ARG 22 -15.461 -12.058 0.999 421 HH11 ARG 22 2HH1 ARG 22 -16.088 -14.960 -0.858 422 HH12 ARG 22 1HH1 ARG 22 -16.375 -15.953 0.544 423 HH21 ARG 22 2HH2 ARG 22 -15.818 -13.363 2.852 424 HH22 ARG 22 1HH2 ARG 22 -16.209 -15.046 2.655 425 H CYS 23 H CYS 23 -14.490 -9.263 0.566 426 HA CYS 23 HA CYS 23 -12.078 -7.631 0.346 427 HB2 CYS 23 2HB CYS 23 -12.927 -6.547 2.121 428 HB3 CYS 23 1HB CYS 23 -14.318 -7.615 2.097 429 H ALA 24 H ALA 24 -10.101 -8.423 0.935 430 HA ALA 24 HA ALA 24 -10.039 -11.338 0.997 431 HB1 ALA 24 1HB ALA 24 -8.040 -9.257 0.185 432 HB2 ALA 24 2HB ALA 24 -7.605 -10.958 0.367 433 HB3 ALA 24 3HB ALA 24 -8.830 -10.480 -0.810 434 H GLY 25 H GLY 25 -8.481 -8.611 2.691 435 HA2 GLY 25 1HA GLY 25 -6.716 -10.156 4.236 436 HA3 GLY 25 2HA GLY 25 -7.254 -8.529 4.625 437 H CYS 26 H CYS 26 -9.712 -8.592 5.354 438 HA CYS 26 HA CYS 26 -9.846 -10.160 7.718 439 HB2 CYS 26 2HB CYS 26 -12.340 -8.955 6.665 440 HB3 CYS 26 1HB CYS 26 -11.632 -8.857 8.275 441 H GLY 27 H GLY 27 -11.649 -10.218 4.648 442 HA2 GLY 27 1HA GLY 27 -11.870 -12.385 3.561 443 HA3 GLY 27 2HA GLY 27 -12.133 -13.084 5.148 444 H GLY 28 H GLY 28 -13.595 -10.069 4.126 445 HA2 GLY 28 1HA GLY 28 -16.197 -11.473 4.094 446 HA3 GLY 28 2HA GLY 28 -15.972 -9.881 4.808 447 H LYS 29 H LYS 29 -16.930 -8.412 3.584 448 HA LYS 29 HA LYS 29 -16.255 -8.311 0.741 449 HB2 LYS 29 2HB LYS 29 -18.862 -7.406 0.757 450 HB3 LYS 29 1HB LYS 29 -18.318 -8.968 0.163 451 HG2 LYS 29 2HG LYS 29 -19.594 -9.960 1.668 452 HG3 LYS 29 1HG LYS 29 -18.639 -9.216 2.953 453 HD2 LYS 29 2HD LYS 29 -20.844 -8.554 3.390 454 HD3 LYS 29 1HD LYS 29 -20.103 -7.156 2.605 455 HE2 LYS 29 2HE LYS 29 -22.054 -7.282 1.424 456 HE3 LYS 29 1HE LYS 29 -21.028 -8.317 0.432 457 HZ1 LYS 29 3HZ LYS 29 -22.426 -9.980 0.774 458 HZ2 LYS 29 1HZ LYS 29 -23.419 -8.977 1.715 459 HZ3 LYS 29 2HZ LYS 29 -22.188 -9.879 2.450 460 H ILE 30 H ILE 30 -16.097 -6.219 -0.070 461 HA ILE 30 HA ILE 30 -15.476 -4.301 1.956 462 HB ILE 30 HB ILE 30 -15.521 -3.990 -1.044 463 HG12 ILE 30 2HG1 ILE 30 -12.975 -4.042 0.444 464 HG13 ILE 30 1HG1 ILE 30 -13.855 -5.567 0.410 465 HG21 ILE 30 1HG2 ILE 30 -15.696 -1.881 0.434 466 HG22 ILE 30 2HG2 ILE 30 -14.013 -2.220 0.846 467 HG23 ILE 30 3HG2 ILE 30 -14.466 -1.928 -0.831 468 HD11 ILE 30 3HD1 ILE 30 -12.879 -5.928 -1.543 469 HD12 ILE 30 1HD1 ILE 30 -13.956 -4.693 -2.202 470 HD13 ILE 30 2HD1 ILE 30 -12.334 -4.256 -1.664 471 H ALA 31 H ALA 31 -17.077 -3.356 3.015 472 HA ALA 31 HA ALA 31 -19.173 -2.025 1.431 473 HB1 ALA 31 1HB ALA 31 -20.554 -3.157 2.791 474 HB2 ALA 31 2HB ALA 31 -19.266 -3.526 3.939 475 HB3 ALA 31 3HB ALA 31 -20.088 -1.967 4.007 476 H ASP 32 H ASP 32 -16.349 -1.317 2.296 477 HA ASP 32 HA ASP 32 -16.551 0.907 4.064 478 HB2 ASP 32 2HB ASP 32 -14.442 -0.391 3.507 479 HB3 ASP 32 1HB ASP 32 -14.426 0.439 1.957 480 H ARG 33 H ARG 33 -15.300 1.299 0.808 481 HA ARG 33 HA ARG 33 -17.507 2.560 -0.363 482 HB2 ARG 33 2HB ARG 33 -16.803 4.321 1.376 483 HB3 ARG 33 1HB ARG 33 -15.375 4.562 0.378 484 HG2 ARG 33 2HG ARG 33 -16.805 5.140 -1.524 485 HG3 ARG 33 1HG ARG 33 -18.230 4.914 -0.510 486 HD2 ARG 33 2HD ARG 33 -16.771 6.640 0.997 487 HD3 ARG 33 1HD ARG 33 -16.332 7.145 -0.634 488 HE ARG 33 HE ARG 33 -19.161 6.887 0.140 489 HH11 ARG 33 2HH1 ARG 33 -16.473 8.871 -0.927 490 HH12 ARG 33 1HH1 ARG 33 -17.483 10.205 -1.404 491 HH21 ARG 33 2HH2 ARG 33 -20.482 8.645 -0.443 492 HH22 ARG 33 1HH2 ARG 33 -19.767 10.094 -1.101 493 H PHE 34 H PHE 34 -14.061 3.433 -0.350 494 HA PHE 34 HA PHE 34 -13.952 2.737 -3.191 495 HB2 PHE 34 2HB PHE 34 -12.531 4.647 -1.445 496 HB3 PHE 34 1HB PHE 34 -11.523 3.843 -2.645 497 HD1 PHE 34 2HD PHE 34 -14.912 5.405 -2.497 498 HD2 PHE 34 1HD PHE 34 -11.249 4.970 -4.615 499 HE1 PHE 34 2HE PHE 34 -15.735 6.948 -4.221 500 HE2 PHE 34 1HE PHE 34 -12.065 6.513 -6.348 501 HZ PHE 34 HZ PHE 34 -14.311 7.495 -6.156 502 H LEU 35 H LEU 35 -12.790 1.058 -3.930 503 HA LEU 35 HA LEU 35 -11.461 -0.598 -1.911 504 HB2 LEU 35 2HB LEU 35 -11.530 -2.112 -4.205 505 HB3 LEU 35 1HB LEU 35 -12.651 -2.218 -2.863 506 HG LEU 35 HG LEU 35 -13.262 -0.244 -5.003 507 HD11 LEU 35 1HD1 LEU 35 -14.317 -2.903 -5.559 508 HD12 LEU 35 2HD1 LEU 35 -13.626 -1.705 -6.651 509 HD13 LEU 35 3HD1 LEU 35 -12.567 -2.791 -5.748 510 HD21 LEU 35 3HD2 LEU 35 -14.869 -2.115 -3.268 511 HD22 LEU 35 1HD2 LEU 35 -14.761 -0.360 -3.142 512 HD23 LEU 35 2HD2 LEU 35 -15.565 -1.096 -4.527 513 H LEU 36 H LEU 36 -9.420 -1.384 -2.196 514 HA LEU 36 HA LEU 36 -7.761 0.137 -4.094 515 HB2 LEU 36 2HB LEU 36 -7.285 -0.893 -1.316 516 HB3 LEU 36 1HB LEU 36 -5.930 -0.588 -2.385 517 HG LEU 36 HG LEU 36 -7.043 1.783 -2.640 518 HD11 LEU 36 1HD1 LEU 36 -7.817 1.542 0.175 519 HD12 LEU 36 2HD1 LEU 36 -8.592 2.421 -1.144 520 HD13 LEU 36 3HD1 LEU 36 -8.886 0.695 -0.945 521 HD21 LEU 36 3HD2 LEU 36 -5.806 1.492 0.018 522 HD22 LEU 36 1HD2 LEU 36 -4.890 0.827 -1.335 523 HD23 LEU 36 2HD2 LEU 36 -5.357 2.528 -1.337 524 H TYR 37 H TYR 37 -6.075 -0.922 -5.155 525 HA TYR 37 HA TYR 37 -6.381 -3.846 -5.374 526 HB2 TYR 37 2HB TYR 37 -6.287 -1.742 -7.311 527 HB3 TYR 37 1HB TYR 37 -4.874 -2.765 -7.533 528 HD1 TYR 37 1HD TYR 37 -6.520 -5.261 -6.421 529 HD2 TYR 37 2HD TYR 37 -7.110 -2.396 -9.502 530 HE1 TYR 37 1HE TYR 37 -7.891 -6.883 -7.651 531 HE2 TYR 37 2HE TYR 37 -8.476 -3.995 -10.746 532 HH TYR 37 HH TYR 37 -8.836 -6.369 -10.933 533 H ALA 38 H ALA 38 -4.795 -4.907 -4.359 534 HA ALA 38 HA ALA 38 -2.092 -3.740 -4.414 535 HB1 ALA 38 1HB ALA 38 -2.889 -3.933 -2.153 536 HB2 ALA 38 2HB ALA 38 -3.316 -5.626 -2.404 537 HB3 ALA 38 3HB ALA 38 -1.622 -5.133 -2.415 538 H MET 39 H MET 39 -2.554 -6.984 -3.382 539 HA MET 39 HA MET 39 -0.707 -8.079 -5.153 540 HB2 MET 39 2HB MET 39 -1.761 -8.982 -2.923 541 HB3 MET 39 1HB MET 39 -2.913 -9.753 -4.008 542 HG2 MET 39 2HG MET 39 -1.461 -11.327 -4.588 543 HG3 MET 39 1HG MET 39 -0.164 -10.163 -4.841 544 HE1 MET 39 3HE MET 39 1.050 -9.007 -2.928 545 HE2 MET 39 1HE MET 39 -0.080 -8.917 -1.576 546 HE3 MET 39 2HE MET 39 1.449 -9.777 -1.392 547 H ASP 40 H ASP 40 -4.200 -8.666 -5.139 548 HA ASP 40 HA ASP 40 -4.576 -8.257 -7.901 549 HB2 ASP 40 2HB ASP 40 -4.730 -10.426 -8.771 550 HB3 ASP 40 1HB ASP 40 -3.291 -10.512 -7.761 551 H SER 41 H SER 41 -5.534 -8.678 -4.806 552 HA SER 41 HA SER 41 -8.318 -9.330 -5.409 553 HB2 SER 41 2HB SER 41 -7.908 -9.051 -2.624 554 HB3 SER 41 1HB SER 41 -8.123 -10.551 -3.530 555 HG SER 41 HG SER 41 -6.077 -10.967 -3.292 556 H TYR 42 H TYR 42 -9.904 -8.087 -3.962 557 HA TYR 42 HA TYR 42 -9.290 -5.239 -4.172 558 HB2 TYR 42 2HB TYR 42 -11.905 -6.690 -3.710 559 HB3 TYR 42 1HB TYR 42 -11.735 -4.942 -3.822 560 HD1 TYR 42 1HD TYR 42 -10.620 -4.056 -6.009 561 HD2 TYR 42 2HD TYR 42 -12.381 -7.905 -5.622 562 HE1 TYR 42 1HE TYR 42 -10.881 -4.173 -8.445 563 HE2 TYR 42 2HE TYR 42 -12.641 -8.038 -8.063 564 HH TYR 42 HH TYR 42 -11.025 -6.139 -10.170 565 H TRP 43 H TRP 43 -9.041 -3.963 -2.441 566 HA TRP 43 HA TRP 43 -9.578 -5.122 0.214 567 HB2 TRP 43 2HB TRP 43 -7.278 -3.249 -0.324 568 HB3 TRP 43 1HB TRP 43 -7.531 -4.292 1.068 569 HD1 TRP 43 HD TRP 43 -6.687 -4.619 -2.701 570 HE1 TRP 43 1HE TRP 43 -5.219 -6.704 -3.009 571 HE3 TRP 43 3HE TRP 43 -6.690 -6.348 2.115 572 HZ2 TRP 43 2HZ TRP 43 -4.168 -8.792 -1.424 573 HZ3 TRP 43 3HZ TRP 43 -5.416 -8.387 2.633 574 HH2 TRP 43 HH TRP 43 -4.184 -9.582 0.899 575 H HIS 44 H HIS 44 -10.147 -3.640 1.846 576 HA HIS 44 HA HIS 44 -10.873 -0.942 0.912 577 HB2 HIS 44 2HB HIS 44 -12.335 -0.894 3.032 578 HB3 HIS 44 1HB HIS 44 -12.895 -1.913 1.712 579 HD1 HIS 44 1HD HIS 44 -13.242 -2.165 5.082 580 HD2 HIS 44 2HD HIS 44 -11.173 -4.561 2.391 581 HE1 HIS 44 1HE HIS 44 -12.891 -4.418 6.227 582 H SER 45 H SER 45 -10.959 0.468 3.198 583 HA SER 45 HA SER 45 -8.383 1.269 3.551 584 HB2 SER 45 2HB SER 45 -10.336 1.545 5.804 585 HB3 SER 45 1HB SER 45 -9.184 2.724 5.172 586 HG SER 45 HG SER 45 -11.763 2.306 4.458 587 H ARG 46 H ARG 46 -10.117 -1.033 5.673 588 HA ARG 46 HA ARG 46 -7.706 -1.272 7.295 589 HB2 ARG 46 2HB ARG 46 -9.010 -2.285 8.961 590 HB3 ARG 46 1HB ARG 46 -10.032 -1.024 8.288 591 HG2 ARG 46 2HG ARG 46 -11.603 -2.583 8.122 592 HG3 ARG 46 1HG ARG 46 -10.670 -3.241 6.777 593 HD2 ARG 46 2HD ARG 46 -10.731 -5.121 8.032 594 HD3 ARG 46 1HD ARG 46 -9.354 -4.360 8.828 595 HE ARG 46 HE ARG 46 -11.227 -3.428 10.366 596 HH11 ARG 46 2HH1 ARG 46 -11.169 -6.616 8.886 597 HH12 ARG 46 1HH1 ARG 46 -12.021 -7.370 10.199 598 HH21 ARG 46 2HH2 ARG 46 -12.385 -4.416 12.070 599 HH22 ARG 46 1HH2 ARG 46 -12.690 -6.124 12.026 600 H CYS 47 H CYS 47 -8.721 -2.764 4.536 601 HA CYS 47 HA CYS 47 -7.932 -5.450 5.318 602 HB2 CYS 47 2HB CYS 47 -9.560 -4.454 3.296 603 HB3 CYS 47 1HB CYS 47 -8.123 -5.025 2.453 604 H LEU 48 H LEU 48 -6.791 -2.963 3.059 605 HA LEU 48 HA LEU 48 -4.327 -4.309 2.562 606 HB2 LEU 48 2HB LEU 48 -5.709 -2.025 1.549 607 HB3 LEU 48 1HB LEU 48 -4.085 -1.538 1.990 608 HG LEU 48 HG LEU 48 -4.993 -3.385 -0.156 609 HD11 LEU 48 1HD1 LEU 48 -2.676 -1.470 -0.030 610 HD12 LEU 48 2HD1 LEU 48 -3.413 -2.188 -1.463 611 HD13 LEU 48 3HD1 LEU 48 -4.310 -1.009 -0.508 612 HD21 LEU 48 3HD2 LEU 48 -3.008 -4.613 -0.270 613 HD22 LEU 48 1HD2 LEU 48 -2.182 -3.568 0.889 614 HD23 LEU 48 2HD2 LEU 48 -3.448 -4.665 1.436 615 H LYS 49 H LYS 49 -3.430 -4.695 4.578 616 HA LYS 49 HA LYS 49 -2.119 -2.343 5.726 617 HB2 LYS 49 2HB LYS 49 -2.360 -3.972 7.918 618 HB3 LYS 49 1HB LYS 49 -3.366 -2.573 7.584 619 HG2 LYS 49 2HG LYS 49 -5.051 -4.012 7.865 620 HG3 LYS 49 1HG LYS 49 -4.690 -4.482 6.202 621 HD2 LYS 49 2HD LYS 49 -3.453 -6.366 6.892 622 HD3 LYS 49 1HD LYS 49 -3.354 -5.788 8.557 623 HE2 LYS 49 2HE LYS 49 -4.999 -7.670 8.100 624 HE3 LYS 49 1HE LYS 49 -5.619 -6.268 8.971 625 HZ1 LYS 49 3HZ LYS 49 -6.836 -5.569 7.170 626 HZ2 LYS 49 1HZ LYS 49 -6.956 -7.252 7.008 627 HZ3 LYS 49 2HZ LYS 49 -5.868 -6.383 6.041 628 H CYS 50 H CYS 50 -0.056 -2.667 6.400 629 HA CYS 50 HA CYS 50 1.465 -4.691 5.215 630 HB2 CYS 50 2HB CYS 50 2.591 -2.709 5.742 631 HB3 CYS 50 1HB CYS 50 1.949 -2.661 7.376 632 H SER 51 H SER 51 2.110 -6.670 5.892 633 HA SER 51 HA SER 51 0.571 -7.859 8.006 634 HB2 SER 51 2HB SER 51 2.815 -9.281 6.596 635 HB3 SER 51 1HB SER 51 1.282 -9.928 7.176 636 HG SER 51 HG SER 51 1.270 -7.983 5.142 637 H SER 52 H SER 52 3.304 -6.052 8.115 638 HA SER 52 HA SER 52 4.538 -7.676 10.229 639 HB2 SER 52 2HB SER 52 6.106 -5.381 9.455 640 HB3 SER 52 1HB SER 52 6.515 -7.095 9.380 641 HG SER 52 HG SER 52 5.052 -5.609 7.441 642 H CYS 53 H CYS 53 3.682 -4.256 9.520 643 HA CYS 53 HA CYS 53 3.680 -3.852 12.437 644 HB2 CYS 53 2HB CYS 53 4.227 -1.537 12.092 645 HB3 CYS 53 1HB CYS 53 5.375 -2.522 11.198 646 H GLN 54 H GLN 54 1.645 -4.429 10.042 647 HA GLN 54 HA GLN 54 -0.581 -4.253 9.760 648 HB2 GLN 54 2HB GLN 54 -0.158 -4.142 12.566 649 HB3 GLN 54 1HB GLN 54 -1.437 -3.001 12.174 650 HG2 GLN 54 2HG GLN 54 -1.742 -5.549 10.808 651 HG3 GLN 54 1HG GLN 54 -1.734 -5.702 12.563 652 HE21 GLN 54 1HE2 GLN 54 -3.109 -3.538 10.095 653 HE22 GLN 54 2HE2 GLN 54 -4.678 -3.448 10.817 654 H ALA 55 H ALA 55 1.233 -1.937 9.201 655 HA ALA 55 HA ALA 55 -0.128 0.477 9.630 656 HB1 ALA 55 1HB ALA 55 1.334 1.439 8.109 657 HB2 ALA 55 2HB ALA 55 2.250 0.049 8.692 658 HB3 ALA 55 3HB ALA 55 1.439 -0.022 7.128 659 H GLN 56 H GLN 56 -2.021 1.142 8.908 660 HA GLN 56 HA GLN 56 -3.491 -0.443 7.017 661 HB2 GLN 56 2HB GLN 56 -4.084 1.969 8.693 662 HB3 GLN 56 1HB GLN 56 -5.170 1.544 7.377 663 HG2 GLN 56 2HG GLN 56 -5.449 -0.697 8.369 664 HG3 GLN 56 1HG GLN 56 -4.427 -0.200 9.715 665 HE21 GLN 56 1HE2 GLN 56 -6.538 2.130 8.297 666 HE22 GLN 56 2HE2 GLN 56 -7.714 2.147 9.572 667 H LEU 57 H LEU 57 -2.338 -0.256 5.102 668 HA LEU 57 HA LEU 57 -1.693 2.285 3.949 669 HB2 LEU 57 2HB LEU 57 -1.834 -0.193 2.297 670 HB3 LEU 57 1HB LEU 57 -0.648 1.097 2.271 671 HG LEU 57 HG LEU 57 -0.745 -0.635 4.688 672 HD11 LEU 57 1HD1 LEU 57 -0.906 -2.167 2.704 673 HD12 LEU 57 2HD1 LEU 57 0.655 -1.537 2.176 674 HD13 LEU 57 3HD1 LEU 57 0.521 -2.388 3.716 675 HD21 LEU 57 3HD2 LEU 57 0.810 1.415 4.052 676 HD22 LEU 57 1HD2 LEU 57 1.407 0.040 4.984 677 HD23 LEU 57 2HD2 LEU 57 1.734 0.142 3.253 678 H GLY 58 H GLY 58 -4.514 0.452 4.157 679 HA2 GLY 58 1HA GLY 58 -5.712 0.855 1.649 680 HA3 GLY 58 2HA GLY 58 -6.572 0.575 3.154 681 H ASP 59 H ASP 59 -6.210 2.745 4.657 682 HA ASP 59 HA ASP 59 -7.665 4.715 3.114 683 HB2 ASP 59 2HB ASP 59 -7.823 5.903 5.366 684 HB3 ASP 59 1HB ASP 59 -8.641 4.354 5.216 685 H ILE 60 H ILE 60 -4.630 4.179 3.079 686 HA ILE 60 HA ILE 60 -3.851 7.007 3.219 687 HB ILE 60 HB ILE 60 -2.073 4.573 3.361 688 HG12 ILE 60 2HG1 ILE 60 -2.764 6.662 5.443 689 HG13 ILE 60 1HG1 ILE 60 -3.331 4.995 5.429 690 HG21 ILE 60 1HG2 ILE 60 -1.340 6.901 2.256 691 HG22 ILE 60 2HG2 ILE 60 -1.001 7.263 3.949 692 HG23 ILE 60 3HG2 ILE 60 -0.237 5.876 3.172 693 HD11 ILE 60 3HD1 ILE 60 -1.224 4.155 5.972 694 HD12 ILE 60 1HD1 ILE 60 -0.409 5.653 5.521 695 HD13 ILE 60 2HD1 ILE 60 -1.396 5.590 6.981 696 H GLY 61 H GLY 61 -3.486 4.050 1.389 697 HA2 GLY 61 1HA GLY 61 -3.809 3.926 -0.968 698 HA3 GLY 61 2HA GLY 61 -3.393 5.630 -1.084 699 H THR 62 H THR 62 -1.410 3.695 0.923 700 HA THR 62 HA THR 62 0.885 4.283 -0.682 701 HB THR 62 HB THR 62 1.514 2.388 1.344 702 HG1 THR 62 1HG THR 62 0.561 4.052 3.020 703 HG21 THR 62 3HG2 THR 62 2.917 4.076 2.135 704 HG22 THR 62 1HG2 THR 62 1.819 5.360 1.631 705 HG23 THR 62 2HG2 THR 62 2.750 4.472 0.425 706 H SER 63 H SER 63 1.654 3.089 -2.290 707 HA SER 63 HA SER 63 0.732 0.474 -2.895 708 HB2 SER 63 2HB SER 63 3.215 1.888 -3.904 709 HB3 SER 63 1HB SER 63 2.422 0.500 -4.657 710 HG SER 63 HG SER 63 1.731 2.358 -5.706 711 H SER 64 H SER 64 1.170 -1.221 -1.670 712 HA SER 64 HA SER 64 3.417 -1.279 0.110 713 HB2 SER 64 2HB SER 64 2.074 -3.814 -0.135 714 HB3 SER 64 1HB SER 64 2.079 -2.692 1.220 715 HG SER 64 HG SER 64 0.381 -1.557 0.200 716 H TYR 65 H TYR 65 4.919 -3.132 0.192 717 HA TYR 65 HA TYR 65 5.748 -3.870 -2.533 718 HB2 TYR 65 2HB TYR 65 7.269 -3.591 0.053 719 HB3 TYR 65 1HB TYR 65 7.940 -4.454 -1.325 720 HD1 TYR 65 1HD TYR 65 6.564 -1.155 -0.308 721 HD2 TYR 65 2HD TYR 65 9.072 -3.282 -3.006 722 HE1 TYR 65 1HE TYR 65 7.385 0.974 -1.211 723 HE2 TYR 65 2HE TYR 65 9.898 -1.155 -3.920 724 HH TYR 65 HH TYR 65 9.873 1.059 -3.742 725 H THR 66 H THR 66 6.672 -6.067 -2.796 726 HA THR 66 HA THR 66 5.829 -8.019 -0.834 727 HB THR 66 HB THR 66 3.837 -7.420 -2.381 728 HG1 THR 66 1HG THR 66 3.973 -9.253 -0.958 729 HG21 THR 66 3HG2 THR 66 5.503 -9.145 -4.214 730 HG22 THR 66 1HG2 THR 66 4.920 -7.510 -4.522 731 HG23 THR 66 2HG2 THR 66 3.778 -8.851 -4.434 732 H LYS 67 H LYS 67 6.212 -10.280 -1.743 733 HA LYS 67 HA LYS 67 8.105 -10.614 -3.847 734 HB2 LYS 67 2HB LYS 67 9.266 -9.870 -1.489 735 HB3 LYS 67 1HB LYS 67 9.267 -11.623 -1.329 736 HG2 LYS 67 2HG LYS 67 10.385 -11.754 -3.551 737 HG3 LYS 67 1HG LYS 67 10.518 -9.994 -3.528 738 HD2 LYS 67 2HD LYS 67 12.279 -10.062 -2.151 739 HD3 LYS 67 1HD LYS 67 11.478 -11.202 -1.067 740 HE2 LYS 67 2HE LYS 67 12.418 -13.012 -2.057 741 HE3 LYS 67 1HE LYS 67 12.423 -12.271 -3.656 742 HZ1 LYS 67 3HZ LYS 67 14.246 -10.783 -2.689 743 HZ2 LYS 67 1HZ LYS 67 14.651 -12.385 -3.085 744 HZ3 LYS 67 2HZ LYS 67 14.373 -11.952 -1.466 745 H SER 68 H SER 68 7.765 -12.389 -0.808 746 HA SER 68 HA SER 68 6.912 -14.747 -2.267 747 HB2 SER 68 2HB SER 68 7.164 -14.730 0.703 748 HB3 SER 68 1HB SER 68 7.678 -15.947 -0.468 749 HG SER 68 HG SER 68 9.554 -15.003 -0.632 750 H GLY 69 H GLY 69 4.991 -12.754 -2.361 751 HA2 GLY 69 1HA GLY 69 2.683 -12.697 -2.229 752 HA3 GLY 69 2HA GLY 69 2.741 -14.140 -1.232 753 H MET 70 H MET 70 4.788 -12.145 0.272 754 HA MET 70 HA MET 70 2.828 -11.445 2.277 755 HB2 MET 70 2HB MET 70 5.610 -12.008 2.227 756 HB3 MET 70 1HB MET 70 5.415 -10.381 2.861 757 HG2 MET 70 2HG MET 70 3.770 -11.287 4.489 758 HG3 MET 70 1HG MET 70 4.182 -12.905 3.922 759 HE1 MET 70 3HE MET 70 6.447 -13.858 3.871 760 HE2 MET 70 1HE MET 70 7.599 -13.657 5.190 761 HE3 MET 70 2HE MET 70 5.990 -14.301 5.518 762 H ILE 71 H ILE 71 1.936 -9.497 2.549 763 HA ILE 71 HA ILE 71 2.844 -7.311 0.825 764 HB ILE 71 HB ILE 71 0.481 -6.734 2.411 765 HG12 ILE 71 2HG1 ILE 71 -0.157 -8.767 0.347 766 HG13 ILE 71 1HG1 ILE 71 0.537 -9.376 1.847 767 HG21 ILE 71 1HG2 ILE 71 -0.428 -6.128 0.230 768 HG22 ILE 71 2HG2 ILE 71 1.188 -5.459 0.461 769 HG23 ILE 71 3HG2 ILE 71 0.959 -6.878 -0.559 770 HD11 ILE 71 3HD1 ILE 71 -1.531 -7.481 2.421 771 HD12 ILE 71 1HD1 ILE 71 -2.127 -8.724 1.321 772 HD13 ILE 71 2HD1 ILE 71 -1.412 -9.183 2.866 773 H LEU 72 H LEU 72 4.257 -5.971 1.693 774 HA LEU 72 HA LEU 72 3.961 -5.275 4.541 775 HB2 LEU 72 2HB LEU 72 6.679 -5.272 3.347 776 HB3 LEU 72 1HB LEU 72 6.178 -5.623 4.990 777 HG LEU 72 HG LEU 72 5.457 -7.579 2.857 778 HD11 LEU 72 1HD1 LEU 72 7.625 -8.708 3.155 779 HD12 LEU 72 2HD1 LEU 72 7.781 -7.142 2.361 780 HD13 LEU 72 3HD1 LEU 72 8.207 -7.312 4.063 781 HD21 LEU 72 3HD2 LEU 72 6.270 -9.015 4.942 782 HD22 LEU 72 1HD2 LEU 72 5.859 -7.525 5.788 783 HD23 LEU 72 2HD2 LEU 72 4.639 -8.356 4.824 784 H CYS 73 H CYS 73 4.900 -3.181 5.112 785 HA CYS 73 HA CYS 73 4.122 -1.225 3.199 786 HB2 CYS 73 2HB CYS 73 4.687 0.414 4.919 787 HB3 CYS 73 1HB CYS 73 3.739 -0.901 5.600 788 H ARG 74 H ARG 74 5.620 0.787 3.029 789 HA ARG 74 HA ARG 74 7.778 0.118 1.357 790 HB2 ARG 74 2HB ARG 74 6.320 2.343 1.701 791 HB3 ARG 74 1HB ARG 74 7.724 2.800 2.655 792 HG2 ARG 74 2HG ARG 74 8.125 1.732 -0.099 793 HG3 ARG 74 1HG ARG 74 7.577 3.395 0.114 794 HD2 ARG 74 2HD ARG 74 10.070 2.182 1.308 795 HD3 ARG 74 1HD ARG 74 10.016 3.271 -0.076 796 HE ARG 74 HE ARG 74 9.135 4.980 1.481 797 HH11 ARG 74 2HH1 ARG 74 10.908 2.235 2.756 798 HH12 ARG 74 1HH1 ARG 74 11.421 3.068 4.195 799 HH21 ARG 74 2HH2 ARG 74 9.756 6.054 3.396 800 HH22 ARG 74 1HH2 ARG 74 10.720 5.225 4.576 801 H ASN 75 H ASN 75 7.558 0.780 4.761 802 HA ASN 75 HA ASN 75 10.407 1.151 5.115 803 HB2 ASN 75 2HB ASN 75 8.597 2.324 6.464 804 HB3 ASN 75 1HB ASN 75 8.295 0.779 7.249 805 HD21 ASN 75 1HD2 ASN 75 10.214 3.585 7.181 806 HD22 ASN 75 2HD2 ASN 75 11.330 3.131 8.427 807 H ASP 76 H ASP 76 7.975 -1.333 5.676 808 HA ASP 76 HA ASP 76 9.698 -2.940 7.308 809 HB2 ASP 76 2HB ASP 76 6.907 -2.933 6.573 810 HB3 ASP 76 1HB ASP 76 7.586 -4.557 6.488 811 H TYR 77 H TYR 77 8.654 -3.056 3.923 812 HA TYR 77 HA TYR 77 9.426 -5.687 3.411 813 HB2 TYR 77 2HB TYR 77 8.144 -4.557 1.734 814 HB3 TYR 77 1HB TYR 77 9.386 -3.318 1.537 815 HD1 TYR 77 1HD TYR 77 9.028 -7.030 1.340 816 HD2 TYR 77 2HD TYR 77 10.844 -3.531 -0.250 817 HE1 TYR 77 1HE TYR 77 10.137 -8.392 -0.378 818 HE2 TYR 77 2HE TYR 77 11.956 -4.884 -1.973 819 HH TYR 77 HH TYR 77 12.705 -7.283 -2.209 820 H ILE 78 H ILE 78 11.347 -2.722 3.288 821 HA ILE 78 HA ILE 78 13.677 -4.004 2.243 822 HB ILE 78 HB ILE 78 13.823 -1.475 3.850 823 HG12 ILE 78 2HG1 ILE 78 12.890 -1.616 0.974 824 HG13 ILE 78 1HG1 ILE 78 11.815 -1.351 2.345 825 HG21 ILE 78 1HG2 ILE 78 15.617 -2.921 2.309 826 HG22 ILE 78 2HG2 ILE 78 15.151 -1.566 1.281 827 HG23 ILE 78 3HG2 ILE 78 15.817 -1.268 2.886 828 HD11 ILE 78 3HD1 ILE 78 13.676 0.489 1.014 829 HD12 ILE 78 1HD1 ILE 78 12.149 0.806 1.838 830 HD13 ILE 78 2HD1 ILE 78 13.628 0.590 2.774 831 H ARG 79 H ARG 79 12.364 -3.456 5.404 832 HA ARG 79 HA ARG 79 14.734 -4.132 6.856 833 HB2 ARG 79 2HB ARG 79 12.930 -2.729 7.798 834 HB3 ARG 79 1HB ARG 79 11.841 -4.108 7.737 835 HG2 ARG 79 2HG ARG 79 13.549 -5.283 9.239 836 HG3 ARG 79 1HG ARG 79 14.209 -3.672 9.519 837 HD2 ARG 79 2HD ARG 79 12.628 -4.236 11.267 838 HD3 ARG 79 1HD ARG 79 11.995 -2.916 10.283 839 HE ARG 79 HE ARG 79 10.279 -4.279 9.581 840 HH11 ARG 79 2HH1 ARG 79 12.689 -6.220 11.257 841 HH12 ARG 79 1HH1 ARG 79 11.691 -7.647 11.277 842 HH21 ARG 79 2HH2 ARG 79 8.986 -6.109 9.633 843 HH22 ARG 79 1HH2 ARG 79 9.572 -7.579 10.359 844 H LEU 80 H LEU 80 11.896 -5.861 5.706 845 HA LEU 80 HA LEU 80 12.582 -8.309 7.057 846 HB2 LEU 80 2HB LEU 80 10.416 -7.371 5.258 847 HB3 LEU 80 1HB LEU 80 10.746 -9.093 5.271 848 HG LEU 80 HG LEU 80 10.509 -7.913 7.944 849 HD11 LEU 80 1HD1 LEU 80 8.722 -6.647 7.458 850 HD12 LEU 80 2HD1 LEU 80 8.450 -7.449 5.910 851 HD13 LEU 80 3HD1 LEU 80 7.868 -8.191 7.400 852 HD21 LEU 80 3HD2 LEU 80 9.086 -10.225 6.645 853 HD22 LEU 80 1HD2 LEU 80 10.686 -10.337 7.381 854 HD23 LEU 80 2HD2 LEU 80 9.287 -9.916 8.369 855 H PHE 81 H PHE 81 12.334 -7.406 3.605 856 HA PHE 81 HA PHE 81 14.079 -9.702 3.003 857 HB2 PHE 81 2HB PHE 81 12.015 -8.288 1.298 858 HB3 PHE 81 1HB PHE 81 13.135 -9.486 0.666 859 HD1 PHE 81 2HD PHE 81 12.886 -11.835 1.212 860 HD2 PHE 81 1HD PHE 81 10.181 -8.920 2.728 861 HE1 PHE 81 2HE PHE 81 11.303 -13.622 1.817 862 HE2 PHE 81 1HE PHE 81 8.593 -10.701 3.334 863 HZ PHE 81 HZ PHE 81 9.155 -13.054 2.880 864 H GLY 82 H GLY 82 13.505 -7.353 0.560 865 HA2 GLY 82 1HA GLY 82 15.064 -5.316 0.556 866 HA3 GLY 82 2HA GLY 82 16.320 -6.535 0.743 Start of MODEL 10 1 H SER 641 1H SER 641 13.849 9.273 21.443 2 HA SER 641 HA SER 641 14.157 12.069 22.023 3 HB2 SER 641 2HB SER 641 15.849 10.022 23.299 4 HB3 SER 641 1HB SER 641 14.810 11.247 24.031 5 HG SER 641 HG SER 641 14.095 9.041 24.343 6 H LEU 642 H LEU 642 15.047 12.267 19.690 7 HA LEU 642 HA LEU 642 17.970 12.295 19.963 8 HB2 LEU 642 2HB LEU 642 16.399 10.881 17.972 9 HB3 LEU 642 1HB LEU 642 17.460 12.058 17.224 10 HG LEU 642 HG LEU 642 18.928 10.574 19.195 11 HD11 LEU 642 1HD1 LEU 642 18.845 8.378 17.995 12 HD12 LEU 642 2HD1 LEU 642 17.396 8.769 18.919 13 HD13 LEU 642 3HD1 LEU 642 17.400 8.957 17.166 14 HD21 LEU 642 3HD2 LEU 642 19.164 10.539 16.194 15 HD22 LEU 642 1HD2 LEU 642 19.770 11.847 17.210 16 HD23 LEU 642 2HD2 LEU 642 20.431 10.220 17.379 17 H GLN 643 H GLN 643 16.837 14.382 20.756 18 HA GLN 643 HA GLN 643 15.671 16.207 19.010 19 HB2 GLN 643 2HB GLN 643 17.033 16.398 21.657 20 HB3 GLN 643 1HB GLN 643 16.664 17.884 20.792 21 HG2 GLN 643 2HG GLN 643 14.801 17.636 22.097 22 HG3 GLN 643 1HG GLN 643 14.281 16.862 20.603 23 HE21 GLN 643 1HE2 GLN 643 12.727 15.984 22.247 24 HE22 GLN 643 2HE2 GLN 643 13.165 14.498 23.022 25 H ASN 644 H ASN 644 16.452 18.107 18.040 26 HA ASN 644 HA ASN 644 18.989 17.730 16.745 27 HB2 ASN 644 2HB ASN 644 17.211 18.609 15.401 28 HB3 ASN 644 1HB ASN 644 16.890 19.898 16.557 29 HD21 ASN 644 1HD2 ASN 644 19.165 18.692 14.181 30 HD22 ASN 644 2HD2 ASN 644 19.925 20.219 13.860 31 H ASN 645 H ASN 645 20.562 17.922 18.315 32 HA ASN 645 HA ASN 645 20.917 20.637 19.399 33 HB2 ASN 645 2HB ASN 645 20.957 18.414 20.857 34 HB3 ASN 645 1HB ASN 645 22.624 18.353 20.292 35 HD21 ASN 645 1HD2 ASN 645 24.099 19.767 21.095 36 HD22 ASN 645 2HD2 ASN 645 23.759 20.883 22.371 37 H GLN 646 H GLN 646 21.921 18.505 17.020 38 HA GLN 646 HA GLN 646 24.358 20.070 16.529 39 HB2 GLN 646 2HB GLN 646 24.235 17.259 15.547 40 HB3 GLN 646 1HB GLN 646 25.626 18.214 16.034 41 HG2 GLN 646 2HG GLN 646 23.611 17.153 17.994 42 HG3 GLN 646 1HG GLN 646 25.040 16.248 17.496 43 HE21 GLN 646 1HE2 GLN 646 24.567 16.926 20.122 44 HE22 GLN 646 2HE2 GLN 646 25.757 18.086 20.637 45 H ASP 647 H ASP 647 24.183 21.175 14.713 46 HA ASP 647 HA ASP 647 22.132 20.732 12.804 47 HB2 ASP 647 2HB ASP 647 23.153 22.948 13.229 48 HB3 ASP 647 1HB ASP 647 24.656 22.374 12.511 49 H VAL 648 H VAL 648 22.232 19.920 10.717 50 HA VAL 648 HA VAL 648 24.540 18.159 10.220 51 HB VAL 648 HB VAL 648 22.893 16.810 8.818 52 HG11 VAL 648 1HG1 VAL 648 23.580 16.688 11.494 53 HG12 VAL 648 2HG1 VAL 648 21.826 16.497 11.494 54 HG13 VAL 648 3HG1 VAL 648 22.833 15.403 10.544 55 HG21 VAL 648 3HG2 VAL 648 20.609 17.109 9.015 56 HG22 VAL 648 1HG2 VAL 648 20.756 18.038 10.506 57 HG23 VAL 648 2HG2 VAL 648 21.194 18.773 8.965 58 H SER 649 H SER 649 24.684 17.534 7.821 59 HA SER 649 HA SER 649 23.899 19.617 5.967 60 HB2 SER 649 2HB SER 649 25.984 20.533 6.849 61 HB3 SER 649 1HB SER 649 26.806 19.000 6.566 62 HG SER 649 HG SER 649 26.815 20.943 4.933 63 H PHE 650 H PHE 650 24.041 18.932 3.782 64 HA PHE 650 HA PHE 650 23.725 16.139 3.403 65 HB2 PHE 650 2HB PHE 650 22.646 17.974 2.023 66 HB3 PHE 650 1HB PHE 650 24.205 18.186 1.231 67 HD1 PHE 650 1HD PHE 650 21.609 15.624 1.949 68 HD2 PHE 650 2HD PHE 650 24.762 16.896 -0.611 69 HE1 PHE 650 1HE PHE 650 21.057 13.814 0.378 70 HE2 PHE 650 2HE PHE 650 24.215 15.086 -2.189 71 HZ PHE 650 HZ PHE 650 22.360 13.543 -1.696 72 H GLU 651 H GLU 651 26.426 18.262 3.315 73 HA GLU 651 HA GLU 651 28.156 16.710 1.700 74 HB2 GLU 651 2HB GLU 651 28.589 18.826 3.787 75 HB3 GLU 651 1HB GLU 651 29.950 17.986 3.057 76 HG2 GLU 651 2HG GLU 651 28.457 18.737 0.883 77 HG3 GLU 651 1HG GLU 651 28.260 20.094 1.991 78 H ASN 652 H ASN 652 27.079 16.428 4.967 79 HA ASN 652 HA ASN 652 29.182 14.558 5.704 80 HB2 ASN 652 2HB ASN 652 28.321 16.100 7.410 81 HB3 ASN 652 1HB ASN 652 26.700 15.449 7.196 82 HD21 ASN 652 1HD2 ASN 652 29.824 14.970 8.573 83 HD22 ASN 652 2HD2 ASN 652 29.419 13.580 9.535 84 H ILE 653 H ILE 653 25.658 14.521 5.293 85 HA ILE 653 HA ILE 653 25.766 11.602 5.002 86 HB ILE 653 HB ILE 653 23.105 12.155 5.003 87 HG12 ILE 653 2HG1 ILE 653 23.547 13.759 7.321 88 HG13 ILE 653 1HG1 ILE 653 24.353 14.533 5.959 89 HG21 ILE 653 1HG2 ILE 653 25.001 10.944 6.703 90 HG22 ILE 653 2HG2 ILE 653 23.937 11.910 7.724 91 HG23 ILE 653 3HG2 ILE 653 23.258 10.682 6.655 92 HD11 ILE 653 3HD1 ILE 653 21.997 13.959 4.821 93 HD12 ILE 653 1HD1 ILE 653 21.486 14.142 6.499 94 HD13 ILE 653 2HD1 ILE 653 22.324 15.462 5.684 95 H GLN 654 H GLN 654 26.658 11.894 2.856 96 HA GLN 654 HA GLN 654 25.107 13.129 0.796 97 HB2 GLN 654 2HB GLN 654 27.549 11.372 0.802 98 HB3 GLN 654 1HB GLN 654 26.751 11.818 -0.701 99 HG2 GLN 654 2HG GLN 654 27.152 14.159 0.889 100 HG3 GLN 654 1HG GLN 654 28.671 13.273 0.747 101 HE21 GLN 654 1HE2 GLN 654 29.709 13.199 -1.175 102 HE22 GLN 654 2HE2 GLN 654 29.185 14.054 -2.593 103 H TRP 655 H TRP 655 23.087 12.189 0.964 104 HA TRP 655 HA TRP 655 22.847 9.309 0.503 105 HB2 TRP 655 2HB TRP 655 21.201 11.398 1.769 106 HB3 TRP 655 1HB TRP 655 20.295 10.232 0.813 107 HD1 TRP 655 HD TRP 655 22.911 10.180 3.685 108 HE1 TRP 655 1HE TRP 655 22.358 8.182 5.211 109 HE3 TRP 655 3HE TRP 655 19.010 8.226 1.038 110 HZ2 TRP 655 2HZ TRP 655 20.497 6.053 5.279 111 HZ3 TRP 655 3HZ TRP 655 17.888 6.207 1.901 112 HH2 TRP 655 HH TRP 655 18.619 5.144 3.977 113 H SER 656 H SER 656 23.770 10.657 -1.696 114 HA SER 656 HA SER 656 21.583 11.456 -3.389 115 HB2 SER 656 2HB SER 656 23.996 11.113 -4.868 116 HB3 SER 656 1HB SER 656 23.237 12.620 -4.353 117 HG SER 656 HG SER 656 25.520 11.679 -3.528 118 H ILE 657 H ILE 657 20.794 9.067 -2.835 119 HA ILE 657 HA ILE 657 21.487 7.431 -5.184 120 HB ILE 657 HB ILE 657 20.770 5.468 -3.557 121 HG12 ILE 657 2HG1 ILE 657 22.267 6.340 -1.389 122 HG13 ILE 657 1HG1 ILE 657 21.248 7.725 -1.770 123 HG21 ILE 657 1HG2 ILE 657 22.916 4.795 -3.697 124 HG22 ILE 657 2HG2 ILE 657 23.067 6.214 -4.735 125 HG23 ILE 657 3HG2 ILE 657 23.544 6.309 -3.041 126 HD11 ILE 657 3HD1 ILE 657 19.339 6.648 -1.179 127 HD12 ILE 657 1HD1 ILE 657 19.958 5.061 -1.634 128 HD13 ILE 657 2HD1 ILE 657 20.474 5.810 -0.122 129 H ASP 658 H ASP 658 19.749 5.836 -5.714 130 HA ASP 658 HA ASP 658 17.191 7.158 -5.680 131 HB2 ASP 658 2HB ASP 658 16.438 5.461 -7.191 132 HB3 ASP 658 1HB ASP 658 18.067 5.906 -7.675 133 HA PRO 659 HA PRO 659 15.527 5.073 -2.189 134 HB2 PRO 659 2HB PRO 659 12.908 5.533 -2.548 135 HB3 PRO 659 1HB PRO 659 14.041 6.857 -2.246 136 HG2 PRO 659 2HG PRO 659 12.859 5.928 -4.833 137 HG3 PRO 659 1HG PRO 659 13.091 7.583 -4.241 138 HD2 PRO 659 2HD PRO 659 14.778 6.321 -6.005 139 HD3 PRO 659 1HD PRO 659 15.268 7.648 -4.936 140 H GLY 660 H GLY 660 16.226 3.204 -4.191 141 HA2 GLY 660 1HA GLY 660 15.887 0.923 -4.390 142 HA3 GLY 660 2HA GLY 660 14.421 1.089 -3.438 143 H ALA 661 H ALA 661 15.528 2.361 -6.568 144 HA ALA 661 HA ALA 661 12.976 2.252 -7.775 145 HB1 ALA 661 1HB ALA 661 14.074 3.519 -9.228 146 HB2 ALA 661 2HB ALA 661 15.618 3.056 -8.509 147 HB3 ALA 661 3HB ALA 661 14.921 2.083 -9.803 148 H ASP 662 H ASP 662 15.536 -0.089 -7.446 149 HA ASP 662 HA ASP 662 14.631 -1.933 -9.406 150 HB2 ASP 662 2HB ASP 662 16.910 -1.990 -8.462 151 HB3 ASP 662 1HB ASP 662 16.243 -2.444 -6.899 152 H LEU 663 H LEU 663 13.583 -1.182 -6.208 153 HA LEU 663 HA LEU 663 12.350 -3.731 -5.705 154 HB2 LEU 663 2HB LEU 663 11.940 -1.113 -4.257 155 HB3 LEU 663 1HB LEU 663 11.506 -2.708 -3.674 156 HG LEU 663 HG LEU 663 14.335 -1.778 -4.178 157 HD11 LEU 663 1HD1 LEU 663 12.829 -0.824 -2.212 158 HD12 LEU 663 2HD1 LEU 663 13.297 -2.349 -1.462 159 HD13 LEU 663 3HD1 LEU 663 14.535 -1.208 -1.988 160 HD21 LEU 663 3HD2 LEU 663 13.269 -4.362 -3.962 161 HD22 LEU 663 1HD2 LEU 663 14.966 -3.891 -3.892 162 HD23 LEU 663 2HD2 LEU 663 14.024 -4.019 -2.406 163 H SER 664 H SER 664 11.565 -1.211 -7.697 164 HA SER 664 HA SER 664 8.764 -1.018 -7.255 165 HB2 SER 664 2HB SER 664 10.526 -0.276 -9.590 166 HB3 SER 664 1HB SER 664 8.781 -0.015 -9.597 167 HG SER 664 HG SER 664 10.247 1.758 -8.817 168 H GLN 665 H GLN 665 10.707 -3.427 -8.649 169 HA GLN 665 HA GLN 665 8.708 -4.558 -10.359 170 HB2 GLN 665 2HB GLN 665 11.439 -5.078 -9.712 171 HB3 GLN 665 1HB GLN 665 10.526 -6.561 -9.468 172 HG2 GLN 665 2HG GLN 665 10.464 -4.922 -11.990 173 HG3 GLN 665 1HG GLN 665 11.496 -6.329 -11.733 174 HE21 GLN 665 1HE2 GLN 665 8.275 -5.194 -12.281 175 HE22 GLN 665 2HE2 GLN 665 7.560 -6.745 -12.585 176 H TYR 666 H TYR 666 9.395 -4.617 -6.993 177 HA TYR 666 HA TYR 666 7.516 -6.827 -6.535 178 HB2 TYR 666 2HB TYR 666 9.237 -5.436 -4.476 179 HB3 TYR 666 1HB TYR 666 8.427 -6.992 -4.326 180 HD1 TYR 666 1HD TYR 666 9.284 -8.948 -5.623 181 HD2 TYR 666 2HD TYR 666 11.391 -5.257 -5.457 182 HE1 TYR 666 1HE TYR 666 11.319 -10.079 -6.409 183 HE2 TYR 666 2HE TYR 666 13.430 -6.378 -6.245 184 HH TYR 666 HH TYR 666 14.399 -8.340 -6.677 185 H LYS 667 H LYS 667 7.124 -3.820 -7.203 186 HA LYS 667 HA LYS 667 5.873 -2.785 -4.805 187 HB2 LYS 667 2HB LYS 667 6.994 -1.696 -7.213 188 HB3 LYS 667 1HB LYS 667 5.368 -1.076 -6.987 189 HG2 LYS 667 2HG LYS 667 5.972 -0.322 -4.743 190 HG3 LYS 667 1HG LYS 667 7.615 -0.921 -4.992 191 HD2 LYS 667 2HD LYS 667 7.627 0.589 -7.075 192 HD3 LYS 667 1HD LYS 667 6.216 1.363 -6.353 193 HE2 LYS 667 2HE LYS 667 7.438 2.097 -4.493 194 HE3 LYS 667 1HE LYS 667 8.773 0.995 -4.827 195 HZ1 LYS 667 3HZ LYS 667 9.075 2.331 -6.947 196 HZ2 LYS 667 1HZ LYS 667 9.523 3.085 -5.497 197 HZ3 LYS 667 2HZ LYS 667 8.055 3.489 -6.246 198 H MET 668 H MET 668 3.749 -2.200 -4.585 199 HA MET 668 HA MET 668 1.924 -2.775 -6.807 200 HB2 MET 668 2HB MET 668 0.253 -3.641 -5.172 201 HB3 MET 668 1HB MET 668 1.668 -4.667 -5.353 202 HG2 MET 668 2HG MET 668 2.045 -2.778 -3.214 203 HG3 MET 668 1HG MET 668 0.565 -3.711 -2.987 204 HE1 MET 668 3HE MET 668 1.102 -6.089 -4.537 205 HE2 MET 668 1HE MET 668 2.808 -6.405 -4.853 206 HE3 MET 668 2HE MET 668 1.963 -7.302 -3.590 207 H ASP 669 H ASP 669 0.878 -0.961 -7.303 208 HA ASP 669 HA ASP 669 0.661 1.116 -5.249 209 HB2 ASP 669 2HB ASP 669 1.626 1.464 -7.679 210 HB3 ASP 669 1HB ASP 669 -0.080 1.601 -8.104 211 H VAL 670 H VAL 670 -1.312 2.209 -4.907 212 HA VAL 670 HA VAL 670 -3.482 0.308 -4.867 213 HB VAL 670 HB VAL 670 -3.242 3.065 -3.655 214 HG11 VAL 670 1HG1 VAL 670 -5.576 1.721 -4.132 215 HG12 VAL 670 2HG1 VAL 670 -5.177 1.213 -2.491 216 HG13 VAL 670 3HG1 VAL 670 -5.331 2.928 -2.868 217 HG21 VAL 670 3HG2 VAL 670 -2.530 2.094 -1.698 218 HG22 VAL 670 1HG2 VAL 670 -3.227 0.523 -2.095 219 HG23 VAL 670 2HG2 VAL 670 -1.751 1.060 -2.895 220 H THR 671 H THR 671 -4.648 0.176 -6.701 221 HA THR 671 HA THR 671 -5.515 2.576 -8.094 222 HB THR 671 HB THR 671 -6.707 -0.103 -8.699 223 HG1 THR 671 1HG THR 671 -4.002 0.628 -9.324 224 HG21 THR 671 3HG2 THR 671 -6.070 2.421 -10.102 225 HG22 THR 671 1HG2 THR 671 -7.443 1.328 -10.294 226 HG23 THR 671 2HG2 THR 671 -5.893 0.941 -11.042 227 H VAL 672 H VAL 672 -7.411 3.601 -7.696 228 HA VAL 672 HA VAL 672 -9.157 2.418 -5.661 229 HB VAL 672 HB VAL 672 -9.659 5.171 -6.662 230 HG11 VAL 672 1HG1 VAL 672 -10.375 3.553 -4.440 231 HG12 VAL 672 2HG1 VAL 672 -9.484 4.949 -3.840 232 HG13 VAL 672 3HG1 VAL 672 -10.923 5.184 -4.833 233 HG21 VAL 672 3HG2 VAL 672 -7.404 4.627 -4.741 234 HG22 VAL 672 1HG2 VAL 672 -7.155 4.965 -6.453 235 HG23 VAL 672 2HG2 VAL 672 -7.899 6.180 -5.411 236 H ILE 673 H ILE 673 -11.264 1.930 -6.009 237 HA ILE 673 HA ILE 673 -12.273 2.288 -8.755 238 HB ILE 673 HB ILE 673 -12.839 0.129 -6.722 239 HG12 ILE 673 2HG1 ILE 673 -12.297 -1.070 -9.123 240 HG13 ILE 673 1HG1 ILE 673 -11.277 0.361 -9.208 241 HG21 ILE 673 1HG2 ILE 673 -14.849 1.111 -8.098 242 HG22 ILE 673 2HG2 ILE 673 -14.154 0.131 -9.391 243 HG23 ILE 673 3HG2 ILE 673 -14.660 -0.630 -7.882 244 HD11 ILE 673 3HD1 ILE 673 -9.876 -1.207 -8.269 245 HD12 ILE 673 1HD1 ILE 673 -10.495 -0.362 -6.850 246 HD13 ILE 673 2HD1 ILE 673 -11.162 -1.930 -7.304 247 H ASP 674 H ASP 674 -14.156 3.344 -9.062 248 HA ASP 674 HA ASP 674 -15.220 4.810 -6.798 249 HB2 ASP 674 2HB ASP 674 -14.722 5.724 -9.178 250 HB3 ASP 674 1HB ASP 674 -16.261 4.993 -9.617 251 H THR 675 H THR 675 -16.256 3.106 -5.658 252 HA THR 675 HA THR 675 -18.418 1.649 -6.862 253 HB THR 675 HB THR 675 -18.545 1.693 -3.984 254 HG1 THR 675 1HG THR 675 -16.489 1.220 -3.454 255 HG21 THR 675 3HG2 THR 675 -17.464 -0.609 -5.537 256 HG22 THR 675 1HG2 THR 675 -19.120 -0.088 -5.850 257 HG23 THR 675 2HG2 THR 675 -18.644 -0.584 -4.227 258 H LYS 676 H LYS 676 -19.364 3.805 -7.615 259 HA LYS 676 HA LYS 676 -21.032 5.057 -5.564 260 HB2 LYS 676 2HB LYS 676 -19.702 6.279 -7.457 261 HB3 LYS 676 1HB LYS 676 -21.073 5.823 -8.461 262 HG2 LYS 676 2HG LYS 676 -22.575 7.074 -7.133 263 HG3 LYS 676 1HG LYS 676 -21.361 7.330 -5.878 264 HD2 LYS 676 2HD LYS 676 -20.879 8.298 -8.669 265 HD3 LYS 676 1HD LYS 676 -21.874 9.240 -7.559 266 HE2 LYS 676 2HE LYS 676 -20.031 10.092 -6.666 267 HE3 LYS 676 1HE LYS 676 -19.566 8.478 -6.132 268 HZ1 LYS 676 3HZ LYS 676 -18.283 8.138 -8.039 269 HZ2 LYS 676 1HZ LYS 676 -17.929 9.731 -7.573 270 HZ3 LYS 676 2HZ LYS 676 -18.984 9.444 -8.869 271 H ASP 677 H ASP 677 -21.177 2.537 -7.722 272 HA ASP 677 HA ASP 677 -23.863 2.718 -8.628 273 HB2 ASP 677 2HB ASP 677 -21.671 0.969 -9.038 274 HB3 ASP 677 1HB ASP 677 -23.017 -0.014 -8.465 275 H GLY 678 H GLY 678 -25.265 3.062 -7.008 276 HA2 GLY 678 1HA GLY 678 -26.679 1.350 -5.638 277 HA3 GLY 678 2HA GLY 678 -25.217 1.319 -4.659 278 H SER 679 H SER 679 -24.612 4.128 -5.101 279 HA SER 679 HA SER 679 -26.286 5.253 -3.049 280 HB2 SER 679 2HB SER 679 -24.176 6.687 -4.672 281 HB3 SER 679 1HB SER 679 -24.755 7.091 -3.055 282 HG SER 679 HG SER 679 -23.846 5.093 -2.336 283 H GLN 680 H GLN 680 -26.148 5.295 -6.491 284 HA GLN 680 HA GLN 680 -27.961 7.584 -6.669 285 HB2 GLN 680 2HB GLN 680 -26.922 6.044 -9.031 286 HB3 GLN 680 1HB GLN 680 -27.433 7.723 -8.947 287 HG2 GLN 680 2HG GLN 680 -25.225 7.340 -7.184 288 HG3 GLN 680 1HG GLN 680 -24.824 6.679 -8.768 289 HE21 GLN 680 1HE2 GLN 680 -24.639 8.040 -10.515 290 HE22 GLN 680 2HE2 GLN 680 -24.607 9.771 -10.354 291 H SER 681 H SER 681 -30.046 7.134 -6.469 292 HA SER 681 HA SER 681 -31.093 4.506 -6.865 293 HB2 SER 681 2HB SER 681 -33.123 6.561 -6.689 294 HB3 SER 681 1HB SER 681 -32.723 5.290 -5.532 295 HG SER 681 HG SER 681 -31.874 6.798 -4.350 296 H LYS 682 H LYS 682 -30.981 7.462 -8.754 297 HA LYS 682 HA LYS 682 -32.941 6.519 -10.663 298 HB2 LYS 682 2HB LYS 682 -31.301 8.989 -10.341 299 HB3 LYS 682 1HB LYS 682 -31.951 8.616 -11.931 300 HG2 LYS 682 2HG LYS 682 -34.077 9.057 -11.320 301 HG3 LYS 682 1HG LYS 682 -33.845 8.472 -9.673 302 HD2 LYS 682 2HD LYS 682 -32.310 10.592 -9.473 303 HD3 LYS 682 1HD LYS 682 -33.277 11.161 -10.834 304 HE2 LYS 682 2HE LYS 682 -34.918 11.716 -9.453 305 HE3 LYS 682 1HE LYS 682 -35.032 10.045 -8.902 306 HZ1 LYS 682 3HZ LYS 682 -33.203 10.562 -7.319 307 HZ2 LYS 682 1HZ LYS 682 -34.634 11.425 -7.025 308 HZ3 LYS 682 2HZ LYS 682 -33.323 12.193 -7.772 309 H LEU 683 H LEU 683 -29.523 6.436 -10.255 310 HA LEU 683 HA LEU 683 -29.236 5.089 -12.841 311 HB2 LEU 683 2HB LEU 683 -26.967 6.789 -11.966 312 HB3 LEU 683 1HB LEU 683 -27.512 6.399 -13.585 313 HG LEU 683 HG LEU 683 -29.549 7.993 -12.601 314 HD11 LEU 683 1HD1 LEU 683 -27.158 8.534 -11.100 315 HD12 LEU 683 2HD1 LEU 683 -27.607 9.932 -12.076 316 HD13 LEU 683 3HD1 LEU 683 -28.767 9.237 -10.943 317 HD21 LEU 683 3HD2 LEU 683 -27.329 8.222 -14.523 318 HD22 LEU 683 1HD2 LEU 683 -29.058 8.501 -14.738 319 HD23 LEU 683 2HD2 LEU 683 -28.048 9.746 -14.002 320 H GLY 684 H GLY 684 -29.352 3.224 -11.349 321 HA2 GLY 684 1HA GLY 684 -26.672 2.519 -10.456 322 HA3 GLY 684 2HA GLY 684 -27.914 2.546 -9.215 323 H GLY 685 H GLY 685 -26.237 0.393 -10.588 324 HA2 GLY 685 1HA GLY 685 -26.775 -1.908 -10.548 325 HA3 GLY 685 2HA GLY 685 -28.469 -1.495 -10.771 326 H GLY 901 H GLY 901 -27.089 -3.488 -12.235 327 HA2 GLY 901 1HA GLY 901 -27.589 -2.462 -14.914 328 HA3 GLY 901 2HA GLY 901 -25.961 -3.056 -14.608 329 H GLY 902 H GLY 902 -29.368 -3.944 -14.636 330 HA2 GLY 902 1HA GLY 902 -30.192 -5.987 -15.521 331 HA3 GLY 902 2HA GLY 902 -28.591 -6.692 -15.313 332 H SER 903 H SER 903 -28.928 -5.117 -12.581 333 HA SER 903 HA SER 903 -29.700 -7.435 -11.073 334 HB2 SER 903 2HB SER 903 -29.398 -5.039 -9.492 335 HB3 SER 903 1HB SER 903 -28.384 -6.482 -9.525 336 HG SER 903 HG SER 903 -26.968 -5.237 -10.445 337 H GLY 904 H GLY 904 -31.359 -4.886 -12.470 338 HA2 GLY 904 1HA GLY 904 -33.587 -4.304 -12.376 339 HA3 GLY 904 2HA GLY 904 -33.818 -5.584 -11.192 340 H GLY 905 H GLY 905 -34.482 -4.905 -9.286 341 HA2 GLY 905 1HA GLY 905 -33.864 -2.130 -8.500 342 HA3 GLY 905 2HA GLY 905 -35.228 -3.074 -7.914 343 H HIS 906 H HIS 906 -32.409 -4.888 -8.128 344 HA HIS 906 HA HIS 906 -32.112 -4.861 -5.220 345 HB2 HIS 906 2HB HIS 906 -31.896 -6.853 -7.282 346 HB3 HIS 906 1HB HIS 906 -30.369 -6.759 -6.413 347 HD1 HIS 906 1HD HIS 906 -31.171 -9.278 -5.661 348 HD2 HIS 906 2HD HIS 906 -33.247 -6.041 -4.075 349 HE1 HIS 906 1HE HIS 906 -32.410 -10.149 -3.630 350 H MET 907 H MET 907 -30.085 -4.603 -4.206 351 HA MET 907 HA MET 907 -28.281 -2.796 -5.511 352 HB2 MET 907 2HB MET 907 -26.974 -2.979 -3.385 353 HB3 MET 907 1HB MET 907 -28.648 -2.497 -3.160 354 HG2 MET 907 2HG MET 907 -29.128 -4.302 -1.934 355 HG3 MET 907 1HG MET 907 -28.237 -5.382 -3.005 356 HE1 MET 907 3HE MET 907 -28.502 -6.115 -0.488 357 HE2 MET 907 1HE MET 907 -26.865 -6.652 -0.108 358 HE3 MET 907 2HE MET 907 -27.625 -5.386 0.857 359 H GLY 908 H GLY 908 -28.121 -4.674 -7.223 360 HA2 GLY 908 1HA GLY 908 -26.005 -6.570 -6.462 361 HA3 GLY 908 2HA GLY 908 -27.081 -6.736 -7.841 362 H SER 909 H SER 909 -24.589 -4.513 -6.590 363 HA SER 909 HA SER 909 -23.752 -3.753 -9.227 364 HB2 SER 909 2HB SER 909 -21.862 -3.346 -6.994 365 HB3 SER 909 1HB SER 909 -22.510 -2.180 -8.150 366 HG SER 909 HG SER 909 -23.560 -1.558 -6.405 367 H GLY 910 H GLY 910 -23.609 -6.076 -9.878 368 HA2 GLY 910 1HA GLY 910 -21.949 -7.572 -10.727 369 HA3 GLY 910 2HA GLY 910 -20.924 -7.159 -9.356 370 H GLY 911 H GLY 911 -23.276 -7.308 -7.563 371 HA2 GLY 911 1HA GLY 911 -24.711 -9.585 -7.443 372 HA3 GLY 911 2HA GLY 911 -23.111 -10.119 -6.939 373 H LEU 18 H LEU 18 -25.200 -10.345 -5.190 374 HA LEU 18 HA LEU 18 -25.342 -8.075 -3.441 375 HB2 LEU 18 2HB LEU 18 -26.805 -10.402 -3.782 376 HB3 LEU 18 1HB LEU 18 -26.013 -10.639 -2.234 377 HG LEU 18 HG LEU 18 -27.054 -8.008 -2.213 378 HD11 LEU 18 1HD1 LEU 18 -28.512 -8.630 -4.051 379 HD12 LEU 18 2HD1 LEU 18 -29.063 -10.048 -3.158 380 HD13 LEU 18 3HD1 LEU 18 -29.440 -8.428 -2.565 381 HD21 LEU 18 3HD2 LEU 18 -28.675 -9.268 -0.554 382 HD22 LEU 18 1HD2 LEU 18 -27.517 -10.577 -0.793 383 HD23 LEU 18 2HD2 LEU 18 -26.970 -9.021 -0.168 384 H SER 19 H SER 19 -23.043 -10.438 -3.995 385 HA SER 19 HA SER 19 -21.906 -10.378 -1.326 386 HB2 SER 19 2HB SER 19 -20.113 -11.486 -3.254 387 HB3 SER 19 1HB SER 19 -21.019 -12.328 -1.997 388 HG SER 19 HG SER 19 -22.088 -13.185 -3.585 389 H TRP 20 H TRP 20 -22.006 -8.425 -3.965 390 HA TRP 20 HA TRP 20 -20.836 -6.659 -4.764 391 HB2 TRP 20 2HB TRP 20 -19.483 -6.504 -2.074 392 HB3 TRP 20 1HB TRP 20 -19.865 -5.187 -3.176 393 HD1 TRP 20 HD TRP 20 -22.926 -5.631 -3.641 394 HE1 TRP 20 1HE TRP 20 -24.606 -5.314 -1.713 395 HE3 TRP 20 3HE TRP 20 -19.739 -6.213 0.309 396 HZ2 TRP 20 2HZ TRP 20 -24.579 -5.322 1.112 397 HZ3 TRP 20 3HZ TRP 20 -20.641 -6.046 2.589 398 HH2 TRP 20 HH TRP 20 -23.011 -5.609 2.982 399 H LYS 21 H LYS 21 -18.077 -6.288 -3.159 400 HA LYS 21 HA LYS 21 -16.575 -8.058 -4.963 401 HB2 LYS 21 2HB LYS 21 -15.965 -5.278 -3.969 402 HB3 LYS 21 1HB LYS 21 -14.725 -6.316 -4.657 403 HG2 LYS 21 2HG LYS 21 -17.256 -5.603 -6.112 404 HG3 LYS 21 1HG LYS 21 -15.772 -4.658 -6.232 405 HD2 LYS 21 2HD LYS 21 -14.960 -6.068 -7.749 406 HD3 LYS 21 1HD LYS 21 -15.159 -7.424 -6.638 407 HE2 LYS 21 2HE LYS 21 -17.482 -7.675 -7.356 408 HE3 LYS 21 1HE LYS 21 -17.301 -6.303 -8.449 409 HZ1 LYS 21 3HZ LYS 21 -17.092 -8.552 -9.494 410 HZ2 LYS 21 1HZ LYS 21 -15.644 -8.763 -8.638 411 HZ3 LYS 21 2HZ LYS 21 -15.781 -7.516 -9.782 412 H ARG 22 H ARG 22 -15.356 -9.534 -4.048 413 HA ARG 22 HA ARG 22 -15.382 -10.000 -1.274 414 HB2 ARG 22 2HB ARG 22 -14.501 -11.337 -3.628 415 HB3 ARG 22 1HB ARG 22 -13.185 -11.368 -2.461 416 HG2 ARG 22 2HG ARG 22 -14.658 -13.338 -2.331 417 HG3 ARG 22 1HG ARG 22 -14.597 -12.419 -0.826 418 HD2 ARG 22 2HD ARG 22 -16.685 -11.222 -2.030 419 HD3 ARG 22 1HD ARG 22 -16.828 -12.844 -2.706 420 HE ARG 22 HE ARG 22 -16.701 -12.351 0.197 421 HH11 ARG 22 2HH1 ARG 22 -18.124 -13.877 -2.601 422 HH12 ARG 22 1HH1 ARG 22 -19.289 -14.790 -1.687 423 HH21 ARG 22 2HH2 ARG 22 -18.192 -13.585 1.429 424 HH22 ARG 22 1HH2 ARG 22 -19.332 -14.616 0.609 425 H CYS 23 H CYS 23 -13.874 -9.718 0.312 426 HA CYS 23 HA CYS 23 -11.611 -7.985 -0.369 427 HB2 CYS 23 2HB CYS 23 -12.041 -6.767 1.473 428 HB3 CYS 23 1HB CYS 23 -13.618 -7.533 1.426 429 H ALA 24 H ALA 24 -9.544 -8.463 0.600 430 HA ALA 24 HA ALA 24 -9.233 -11.353 0.405 431 HB1 ALA 24 1HB ALA 24 -7.298 -9.088 0.044 432 HB2 ALA 24 2HB ALA 24 -6.826 -10.786 -0.009 433 HB3 ALA 24 3HB ALA 24 -7.972 -10.155 -1.189 434 H GLY 25 H GLY 25 -7.961 -8.736 2.478 435 HA2 GLY 25 1HA GLY 25 -6.311 -10.443 4.026 436 HA3 GLY 25 2HA GLY 25 -6.811 -8.816 4.462 437 H CYS 26 H CYS 26 -9.213 -8.711 5.149 438 HA CYS 26 HA CYS 26 -9.623 -10.297 7.414 439 HB2 CYS 26 2HB CYS 26 -12.015 -9.136 6.098 440 HB3 CYS 26 1HB CYS 26 -11.480 -9.011 7.770 441 H GLY 27 H GLY 27 -11.062 -10.486 4.176 442 HA2 GLY 27 1HA GLY 27 -11.387 -12.574 3.076 443 HA3 GLY 27 2HA GLY 27 -11.501 -13.353 4.648 444 H GLY 28 H GLY 28 -13.174 -10.512 3.313 445 HA2 GLY 28 1HA GLY 28 -15.692 -12.032 3.496 446 HA3 GLY 28 2HA GLY 28 -15.559 -10.473 4.300 447 H LYS 29 H LYS 29 -16.275 -8.820 3.217 448 HA LYS 29 HA LYS 29 -15.699 -8.541 0.398 449 HB2 LYS 29 2HB LYS 29 -18.174 -7.660 0.165 450 HB3 LYS 29 1HB LYS 29 -17.803 -9.360 -0.073 451 HG2 LYS 29 2HG LYS 29 -18.320 -9.292 2.596 452 HG3 LYS 29 1HG LYS 29 -19.413 -8.045 1.990 453 HD2 LYS 29 2HD LYS 29 -19.910 -9.918 0.170 454 HD3 LYS 29 1HD LYS 29 -19.391 -10.973 1.486 455 HE2 LYS 29 2HE LYS 29 -21.491 -8.839 1.812 456 HE3 LYS 29 1HE LYS 29 -21.867 -10.503 1.361 457 HZ1 LYS 29 3HZ LYS 29 -21.907 -10.945 3.522 458 HZ2 LYS 29 1HZ LYS 29 -21.276 -9.422 3.929 459 HZ3 LYS 29 2HZ LYS 29 -20.230 -10.708 3.558 460 H ILE 30 H ILE 30 -15.622 -6.364 -0.230 461 HA ILE 30 HA ILE 30 -14.835 -4.632 1.853 462 HB ILE 30 HB ILE 30 -15.439 -4.000 -1.040 463 HG12 ILE 30 2HG1 ILE 30 -12.667 -3.891 -0.258 464 HG13 ILE 30 1HG1 ILE 30 -13.352 -5.454 0.175 465 HG21 ILE 30 1HG2 ILE 30 -13.704 -2.321 0.727 466 HG22 ILE 30 2HG2 ILE 30 -14.528 -1.889 -0.774 467 HG23 ILE 30 3HG2 ILE 30 -15.452 -2.084 0.716 468 HD11 ILE 30 3HD1 ILE 30 -13.897 -5.960 -2.035 469 HD12 ILE 30 1HD1 ILE 30 -13.699 -4.286 -2.556 470 HD13 ILE 30 2HD1 ILE 30 -12.287 -5.242 -2.112 471 H ALA 31 H ALA 31 -16.189 -3.878 3.282 472 HA ALA 31 HA ALA 31 -18.707 -2.698 2.340 473 HB1 ALA 31 1HB ALA 31 -19.095 -3.136 5.023 474 HB2 ALA 31 2HB ALA 31 -19.685 -4.161 3.714 475 HB3 ALA 31 3HB ALA 31 -18.166 -4.551 4.521 476 H ASP 32 H ASP 32 -15.866 -1.705 2.862 477 HA ASP 32 HA ASP 32 -16.228 0.390 4.800 478 HB2 ASP 32 2HB ASP 32 -14.136 -0.416 2.852 479 HB3 ASP 32 1HB ASP 32 -14.217 1.302 3.221 480 H ARG 33 H ARG 33 -15.494 0.699 1.365 481 HA ARG 33 HA ARG 33 -17.982 1.490 0.456 482 HB2 ARG 33 2HB ARG 33 -17.352 3.550 1.908 483 HB3 ARG 33 1HB ARG 33 -16.230 3.927 0.604 484 HG2 ARG 33 2HG ARG 33 -18.283 3.647 -0.932 485 HG3 ARG 33 1HG ARG 33 -19.216 3.839 0.551 486 HD2 ARG 33 2HD ARG 33 -17.695 5.933 0.888 487 HD3 ARG 33 1HD ARG 33 -17.452 5.794 -0.852 488 HE ARG 33 HE ARG 33 -19.758 6.210 -1.191 489 HH11 ARG 33 2HH1 ARG 33 -18.779 6.438 2.166 490 HH12 ARG 33 1HH1 ARG 33 -20.183 7.340 2.653 491 HH21 ARG 33 2HH2 ARG 33 -21.614 7.394 -0.554 492 HH22 ARG 33 1HH2 ARG 33 -21.800 7.884 1.105 493 H PHE 34 H PHE 34 -14.691 2.761 -0.039 494 HA PHE 34 HA PHE 34 -14.917 2.039 -2.866 495 HB2 PHE 34 2HB PHE 34 -13.328 3.999 -1.307 496 HB3 PHE 34 1HB PHE 34 -12.530 3.290 -2.707 497 HD1 PHE 34 1HD PHE 34 -16.155 3.834 -2.566 498 HD2 PHE 34 2HD PHE 34 -12.415 5.333 -3.935 499 HE1 PHE 34 1HE PHE 34 -17.330 5.409 -4.041 500 HE2 PHE 34 2HE PHE 34 -13.585 6.911 -5.411 501 HZ PHE 34 HZ PHE 34 -16.043 6.948 -5.470 502 H LEU 35 H LEU 35 -13.669 0.521 -3.826 503 HA LEU 35 HA LEU 35 -12.017 -1.105 -2.038 504 HB2 LEU 35 2HB LEU 35 -12.032 -2.499 -4.358 505 HB3 LEU 35 1HB LEU 35 -13.186 -2.725 -3.062 506 HG LEU 35 HG LEU 35 -13.905 -0.684 -5.076 507 HD11 LEU 35 1HD1 LEU 35 -12.841 -2.896 -6.142 508 HD12 LEU 35 2HD1 LEU 35 -14.487 -3.469 -5.872 509 HD13 LEU 35 3HD1 LEU 35 -14.203 -2.039 -6.864 510 HD21 LEU 35 3HD2 LEU 35 -15.530 -2.980 -4.023 511 HD22 LEU 35 1HD2 LEU 35 -15.275 -1.511 -3.080 512 HD23 LEU 35 2HD2 LEU 35 -16.088 -1.426 -4.642 513 H LEU 36 H LEU 36 -9.910 -1.625 -2.533 514 HA LEU 36 HA LEU 36 -8.657 0.107 -4.556 515 HB2 LEU 36 2HB LEU 36 -6.770 -0.589 -2.559 516 HB3 LEU 36 1HB LEU 36 -7.361 1.000 -3.000 517 HG LEU 36 HG LEU 36 -9.148 -0.528 -1.234 518 HD11 LEU 36 1HD1 LEU 36 -7.501 0.395 0.664 519 HD12 LEU 36 2HD1 LEU 36 -7.435 -1.257 0.048 520 HD13 LEU 36 3HD1 LEU 36 -6.314 -0.040 -0.565 521 HD21 LEU 36 3HD2 LEU 36 -8.249 2.252 -1.696 522 HD22 LEU 36 1HD2 LEU 36 -9.866 1.616 -1.397 523 HD23 LEU 36 2HD2 LEU 36 -8.743 1.838 -0.054 524 H TYR 37 H TYR 37 -6.375 -0.693 -5.065 525 HA TYR 37 HA TYR 37 -6.469 -3.610 -5.453 526 HB2 TYR 37 2HB TYR 37 -6.277 -1.437 -7.359 527 HB3 TYR 37 1HB TYR 37 -4.897 -2.517 -7.493 528 HD1 TYR 37 1HD TYR 37 -5.775 -5.138 -7.189 529 HD2 TYR 37 2HD TYR 37 -7.916 -1.878 -8.877 530 HE1 TYR 37 1HE TYR 37 -7.137 -6.715 -8.488 531 HE2 TYR 37 2HE TYR 37 -9.285 -3.439 -10.179 532 HH TYR 37 HH TYR 37 -8.718 -6.955 -10.008 533 H ALA 38 H ALA 38 -4.526 -4.727 -5.378 534 HA ALA 38 HA ALA 38 -2.077 -3.235 -4.808 535 HB1 ALA 38 1HB ALA 38 -3.345 -5.272 -3.018 536 HB2 ALA 38 2HB ALA 38 -1.592 -5.086 -3.049 537 HB3 ALA 38 3HB ALA 38 -2.616 -3.721 -2.607 538 H MET 39 H MET 39 -2.451 -6.675 -4.336 539 HA MET 39 HA MET 39 -0.634 -7.296 -6.454 540 HB2 MET 39 2HB MET 39 -2.414 -9.089 -4.793 541 HB3 MET 39 1HB MET 39 -1.175 -9.663 -5.898 542 HG2 MET 39 2HG MET 39 -0.003 -9.757 -3.966 543 HG3 MET 39 1HG MET 39 0.347 -8.086 -4.411 544 HE1 MET 39 3HE MET 39 -1.565 -10.183 -1.287 545 HE2 MET 39 1HE MET 39 0.068 -10.169 -1.953 546 HE3 MET 39 2HE MET 39 -0.321 -9.178 -0.547 547 H ASP 40 H ASP 40 -3.750 -8.887 -6.017 548 HA ASP 40 HA ASP 40 -4.722 -7.908 -8.584 549 HB2 ASP 40 2HB ASP 40 -4.997 -10.018 -9.596 550 HB3 ASP 40 1HB ASP 40 -3.372 -10.067 -8.922 551 H SER 41 H SER 41 -5.262 -8.385 -5.452 552 HA SER 41 HA SER 41 -7.996 -9.374 -5.691 553 HB2 SER 41 2HB SER 41 -7.097 -8.655 -3.016 554 HB3 SER 41 1HB SER 41 -7.676 -10.208 -3.627 555 HG SER 41 HG SER 41 -5.662 -10.789 -4.146 556 H TYR 42 H TYR 42 -9.622 -8.248 -4.274 557 HA TYR 42 HA TYR 42 -9.411 -5.350 -4.636 558 HB2 TYR 42 2HB TYR 42 -11.805 -7.029 -3.843 559 HB3 TYR 42 1HB TYR 42 -11.822 -5.307 -4.202 560 HD1 TYR 42 2HD TYR 42 -11.010 -4.639 -6.603 561 HD2 TYR 42 1HD TYR 42 -12.296 -8.549 -5.517 562 HE1 TYR 42 2HE TYR 42 -11.476 -5.136 -8.964 563 HE2 TYR 42 1HE TYR 42 -12.767 -9.057 -7.876 564 HH TYR 42 HH TYR 42 -12.272 -8.355 -10.050 565 H TRP 43 H TRP 43 -9.055 -4.048 -2.938 566 HA TRP 43 HA TRP 43 -9.229 -5.251 -0.248 567 HB2 TRP 43 2HB TRP 43 -7.214 -3.158 -1.084 568 HB3 TRP 43 1HB TRP 43 -7.238 -4.089 0.408 569 HD1 TRP 43 HD TRP 43 -6.616 -4.603 -3.375 570 HE1 TRP 43 1HE TRP 43 -5.035 -6.607 -3.658 571 HE3 TRP 43 3HE TRP 43 -6.262 -6.069 1.513 572 HZ2 TRP 43 2HZ TRP 43 -3.793 -8.541 -2.039 573 HZ3 TRP 43 3HZ TRP 43 -4.844 -8.007 2.056 574 HH2 TRP 43 HH TRP 43 -3.635 -9.217 0.313 575 H HIS 44 H HIS 44 -8.995 -3.378 1.424 576 HA HIS 44 HA HIS 44 -10.250 -0.890 0.664 577 HB2 HIS 44 2HB HIS 44 -11.996 -1.069 2.480 578 HB3 HIS 44 1HB HIS 44 -12.268 -2.150 1.117 579 HD1 HIS 44 1HD HIS 44 -12.688 -2.270 4.588 580 HD2 HIS 44 2HD HIS 44 -10.712 -4.731 1.876 581 HE1 HIS 44 1HE HIS 44 -12.379 -4.534 5.734 582 H SER 45 H SER 45 -10.646 0.240 3.091 583 HA SER 45 HA SER 45 -8.071 0.954 3.823 584 HB2 SER 45 2HB SER 45 -9.877 1.454 5.995 585 HB3 SER 45 1HB SER 45 -9.209 2.593 4.825 586 HG SER 45 HG SER 45 -11.596 1.061 4.640 587 H ARG 46 H ARG 46 -10.154 -1.523 5.195 588 HA ARG 46 HA ARG 46 -8.355 -1.913 7.456 589 HB2 ARG 46 2HB ARG 46 -11.114 -2.263 7.022 590 HB3 ARG 46 1HB ARG 46 -10.454 -3.873 7.280 591 HG2 ARG 46 2HG ARG 46 -9.519 -1.821 9.159 592 HG3 ARG 46 1HG ARG 46 -11.237 -2.216 9.257 593 HD2 ARG 46 2HD ARG 46 -10.577 -4.632 9.362 594 HD3 ARG 46 1HD ARG 46 -8.902 -4.103 9.513 595 HE ARG 46 HE ARG 46 -9.645 -2.916 11.577 596 HH11 ARG 46 2HH1 ARG 46 -11.451 -5.670 10.367 597 HH12 ARG 46 1HH1 ARG 46 -12.074 -6.105 11.932 598 HH21 ARG 46 2HH2 ARG 46 -10.486 -3.467 13.619 599 HH22 ARG 46 1HH2 ARG 46 -11.553 -4.832 13.779 600 H CYS 47 H CYS 47 -8.420 -2.995 4.318 601 HA CYS 47 HA CYS 47 -7.479 -5.687 5.018 602 HB2 CYS 47 2HB CYS 47 -8.998 -4.661 2.844 603 HB3 CYS 47 1HB CYS 47 -7.476 -5.265 2.196 604 H LEU 48 H LEU 48 -6.563 -3.033 2.831 605 HA LEU 48 HA LEU 48 -3.938 -4.077 2.440 606 HB2 LEU 48 2HB LEU 48 -5.516 -1.821 1.454 607 HB3 LEU 48 1HB LEU 48 -3.816 -1.447 1.648 608 HG LEU 48 HG LEU 48 -5.099 -3.437 -0.189 609 HD11 LEU 48 1HD1 LEU 48 -3.506 -2.336 -1.782 610 HD12 LEU 48 2HD1 LEU 48 -4.764 -1.283 -1.131 611 HD13 LEU 48 3HD1 LEU 48 -3.122 -1.192 -0.496 612 HD21 LEU 48 3HD2 LEU 48 -3.307 -4.783 -0.325 613 HD22 LEU 48 1HD2 LEU 48 -2.167 -3.458 -0.076 614 HD23 LEU 48 2HD2 LEU 48 -2.969 -4.202 1.308 615 H LYS 49 H LYS 49 -3.152 -4.274 4.548 616 HA LYS 49 HA LYS 49 -1.875 -1.821 5.463 617 HB2 LYS 49 2HB LYS 49 -2.317 -3.011 7.868 618 HB3 LYS 49 1HB LYS 49 -3.296 -1.705 7.220 619 HG2 LYS 49 2HG LYS 49 -4.997 -3.083 7.646 620 HG3 LYS 49 1HG LYS 49 -4.530 -3.855 6.130 621 HD2 LYS 49 2HD LYS 49 -3.415 -5.591 7.222 622 HD3 LYS 49 1HD LYS 49 -3.300 -4.689 8.734 623 HE2 LYS 49 2HE LYS 49 -5.030 -6.008 9.332 624 HE3 LYS 49 1HE LYS 49 -5.972 -4.798 8.462 625 HZ1 LYS 49 3HZ LYS 49 -6.732 -6.686 7.483 626 HZ2 LYS 49 1HZ LYS 49 -5.275 -7.533 7.686 627 HZ3 LYS 49 2HZ LYS 49 -5.420 -6.373 6.455 628 H CYS 50 H CYS 50 0.159 -2.138 6.256 629 HA CYS 50 HA CYS 50 1.642 -4.352 5.496 630 HB2 CYS 50 2HB CYS 50 2.716 -2.259 6.005 631 HB3 CYS 50 1HB CYS 50 2.116 -2.292 7.658 632 H SER 51 H SER 51 2.045 -6.301 6.389 633 HA SER 51 HA SER 51 0.297 -7.188 8.454 634 HB2 SER 51 2HB SER 51 2.639 -8.806 7.528 635 HB3 SER 51 1HB SER 51 1.004 -9.334 7.928 636 HG SER 51 HG SER 51 0.817 -7.637 5.899 637 H SER 52 H SER 52 3.326 -5.684 8.509 638 HA SER 52 HA SER 52 4.150 -7.031 10.966 639 HB2 SER 52 2HB SER 52 5.954 -4.964 10.031 640 HB3 SER 52 1HB SER 52 6.248 -6.688 10.270 641 HG SER 52 HG SER 52 5.131 -5.412 7.984 642 H CYS 53 H CYS 53 3.673 -3.657 9.803 643 HA CYS 53 HA CYS 53 3.551 -2.892 12.644 644 HB2 CYS 53 2HB CYS 53 4.293 -0.675 12.045 645 HB3 CYS 53 1HB CYS 53 5.410 -1.849 11.366 646 H GLN 54 H GLN 54 1.649 -3.509 10.091 647 HA GLN 54 HA GLN 54 -0.508 -3.177 9.563 648 HB2 GLN 54 2HB GLN 54 -0.465 -2.495 12.467 649 HB3 GLN 54 1HB GLN 54 -1.929 -2.182 11.544 650 HG2 GLN 54 2HG GLN 54 -1.038 -4.787 10.887 651 HG3 GLN 54 1HG GLN 54 -1.003 -4.630 12.641 652 HE21 GLN 54 1HE2 GLN 54 -3.240 -2.846 10.634 653 HE22 GLN 54 2HE2 GLN 54 -4.661 -3.684 11.149 654 H ALA 55 H ALA 55 1.338 -1.137 8.848 655 HA ALA 55 HA ALA 55 0.136 1.418 9.100 656 HB1 ALA 55 1HB ALA 55 1.818 0.470 6.787 657 HB2 ALA 55 2HB ALA 55 1.618 2.118 7.378 658 HB3 ALA 55 3HB ALA 55 2.498 0.933 8.346 659 H GLN 56 H GLN 56 -1.631 2.218 8.138 660 HA GLN 56 HA GLN 56 -3.214 0.371 6.581 661 HB2 GLN 56 2HB GLN 56 -3.717 3.005 7.911 662 HB3 GLN 56 1HB GLN 56 -4.850 2.416 6.703 663 HG2 GLN 56 2HG GLN 56 -4.865 0.246 8.085 664 HG3 GLN 56 1HG GLN 56 -4.153 1.231 9.358 665 HE21 GLN 56 1HE2 GLN 56 -6.963 0.758 7.341 666 HE22 GLN 56 2HE2 GLN 56 -8.068 1.643 8.345 667 H LEU 57 H LEU 57 -1.851 0.330 4.716 668 HA LEU 57 HA LEU 57 -1.464 2.607 3.060 669 HB2 LEU 57 2HB LEU 57 -1.530 -0.197 2.006 670 HB3 LEU 57 1HB LEU 57 -0.522 1.143 1.498 671 HG LEU 57 HG LEU 57 0.005 0.433 4.256 672 HD11 LEU 57 1HD1 LEU 57 1.087 -1.729 3.790 673 HD12 LEU 57 2HD1 LEU 57 -0.668 -1.796 3.617 674 HD13 LEU 57 3HD1 LEU 57 0.356 -1.726 2.184 675 HD21 LEU 57 3HD2 LEU 57 1.761 0.357 1.809 676 HD22 LEU 57 1HD2 LEU 57 1.449 1.793 2.787 677 HD23 LEU 57 2HD2 LEU 57 2.288 0.410 3.494 678 H GLY 58 H GLY 58 -4.187 0.764 3.745 679 HA2 GLY 58 1HA GLY 58 -5.574 0.994 1.278 680 HA3 GLY 58 2HA GLY 58 -6.301 0.704 2.853 681 H ASP 59 H ASP 59 -5.029 3.201 3.920 682 HA ASP 59 HA ASP 59 -6.954 5.078 2.787 683 HB2 ASP 59 2HB ASP 59 -7.151 4.808 5.189 684 HB3 ASP 59 1HB ASP 59 -5.435 5.150 5.389 685 H ILE 60 H ILE 60 -3.658 4.605 3.476 686 HA ILE 60 HA ILE 60 -2.920 7.025 1.985 687 HB ILE 60 HB ILE 60 -0.901 5.315 3.393 688 HG12 ILE 60 2HG1 ILE 60 -2.084 7.588 4.903 689 HG13 ILE 60 1HG1 ILE 60 -3.024 6.102 4.834 690 HG21 ILE 60 1HG2 ILE 60 -0.591 8.161 3.640 691 HG22 ILE 60 2HG2 ILE 60 0.470 6.983 2.868 692 HG23 ILE 60 3HG2 ILE 60 -0.850 7.718 1.953 693 HD11 ILE 60 3HD1 ILE 60 -0.314 6.548 6.016 694 HD12 ILE 60 1HD1 ILE 60 -1.772 5.931 6.790 695 HD13 ILE 60 2HD1 ILE 60 -0.901 4.931 5.627 696 H GLY 61 H GLY 61 -3.213 6.311 -0.104 697 HA2 GLY 61 1HA GLY 61 -2.529 3.652 -0.904 698 HA3 GLY 61 2HA GLY 61 -3.100 4.940 -1.948 699 H THR 62 H THR 62 -0.200 4.088 -0.073 700 HA THR 62 HA THR 62 1.448 5.107 -2.276 701 HB THR 62 HB THR 62 2.718 4.078 0.208 702 HG1 THR 62 1HG THR 62 0.714 5.907 0.236 703 HG21 THR 62 3HG2 THR 62 3.822 6.466 -0.229 704 HG22 THR 62 1HG2 THR 62 3.188 6.178 -1.848 705 HG23 THR 62 2HG2 THR 62 4.319 5.032 -1.128 706 H SER 63 H SER 63 3.051 3.804 -3.237 707 HA SER 63 HA SER 63 2.296 1.160 -3.756 708 HB2 SER 63 2HB SER 63 5.126 1.830 -4.241 709 HB3 SER 63 1HB SER 63 3.893 1.251 -5.360 710 HG SER 63 HG SER 63 3.110 3.317 -5.590 711 H SER 64 H SER 64 2.338 -0.431 -2.341 712 HA SER 64 HA SER 64 4.363 -0.575 -0.262 713 HB2 SER 64 2HB SER 64 2.524 -2.838 -0.480 714 HB3 SER 64 1HB SER 64 2.816 -1.753 0.882 715 HG SER 64 HG SER 64 1.527 -0.191 -0.449 716 H TYR 65 H TYR 65 4.937 -3.164 0.093 717 HA TYR 65 HA TYR 65 6.061 -4.018 -2.495 718 HB2 TYR 65 2HB TYR 65 7.478 -3.852 0.169 719 HB3 TYR 65 1HB TYR 65 8.122 -4.699 -1.235 720 HD1 TYR 65 1HD TYR 65 8.560 -3.351 -3.346 721 HD2 TYR 65 2HD TYR 65 7.788 -1.540 0.427 722 HE1 TYR 65 1HE TYR 65 9.564 -1.260 -4.150 723 HE2 TYR 65 2HE TYR 65 8.793 0.558 -0.371 724 HH TYR 65 HH TYR 65 9.926 1.551 -2.020 725 H THR 66 H THR 66 6.314 -6.188 -2.826 726 HA THR 66 HA THR 66 5.487 -8.015 -0.688 727 HB THR 66 HB THR 66 3.657 -7.500 -2.486 728 HG1 THR 66 1HG THR 66 3.594 -9.179 -0.884 729 HG21 THR 66 3HG2 THR 66 5.706 -8.841 -4.079 730 HG22 THR 66 1HG2 THR 66 4.287 -7.929 -4.597 731 HG23 THR 66 2HG2 THR 66 4.132 -9.632 -4.171 732 H LYS 67 H LYS 67 5.977 -10.363 -1.451 733 HA LYS 67 HA LYS 67 8.050 -10.694 -3.378 734 HB2 LYS 67 2HB LYS 67 8.910 -9.933 -0.823 735 HB3 LYS 67 1HB LYS 67 9.189 -11.670 -0.905 736 HG2 LYS 67 2HG LYS 67 10.387 -11.284 -3.068 737 HG3 LYS 67 1HG LYS 67 10.253 -9.553 -2.759 738 HD2 LYS 67 2HD LYS 67 11.688 -9.639 -0.940 739 HD3 LYS 67 1HD LYS 67 11.433 -11.368 -0.696 740 HE2 LYS 67 2HE LYS 67 12.916 -11.961 -2.321 741 HE3 LYS 67 1HE LYS 67 12.645 -10.492 -3.258 742 HZ1 LYS 67 3HZ LYS 67 14.744 -10.179 -2.420 743 HZ2 LYS 67 1HZ LYS 67 14.405 -10.916 -0.934 744 HZ3 LYS 67 2HZ LYS 67 13.817 -9.359 -1.268 745 H SER 68 H SER 68 6.898 -12.174 -0.355 746 HA SER 68 HA SER 68 6.426 -14.648 -1.874 747 HB2 SER 68 2HB SER 68 6.950 -14.558 1.091 748 HB3 SER 68 1HB SER 68 7.110 -15.925 -0.014 749 HG SER 68 HG SER 68 8.874 -14.792 -0.997 750 H GLY 69 H GLY 69 4.407 -12.873 -1.953 751 HA2 GLY 69 1HA GLY 69 2.121 -12.853 -1.661 752 HA3 GLY 69 2HA GLY 69 2.284 -14.325 -0.715 753 H MET 70 H MET 70 3.982 -11.390 0.078 754 HA MET 70 HA MET 70 2.146 -10.939 2.328 755 HB2 MET 70 2HB MET 70 5.091 -11.399 2.363 756 HB3 MET 70 1HB MET 70 4.435 -10.219 3.489 757 HG2 MET 70 2HG MET 70 3.900 -11.857 4.866 758 HG3 MET 70 1HG MET 70 2.796 -12.504 3.653 759 HE1 MET 70 3HE MET 70 6.029 -14.299 5.653 760 HE2 MET 70 1HE MET 70 7.019 -13.273 4.614 761 HE3 MET 70 2HE MET 70 5.735 -12.561 5.591 762 H ILE 71 H ILE 71 1.523 -8.868 2.538 763 HA ILE 71 HA ILE 71 2.839 -6.864 0.843 764 HB ILE 71 HB ILE 71 0.664 -5.596 1.981 765 HG12 ILE 71 2HG1 ILE 71 -1.186 -7.301 1.303 766 HG13 ILE 71 1HG1 ILE 71 0.059 -8.512 1.590 767 HG21 ILE 71 1HG2 ILE 71 0.118 -6.951 -0.560 768 HG22 ILE 71 2HG2 ILE 71 0.127 -5.233 -0.162 769 HG23 ILE 71 3HG2 ILE 71 1.643 -6.070 -0.500 770 HD11 ILE 71 3HD1 ILE 71 -1.218 -6.632 3.534 771 HD12 ILE 71 1HD1 ILE 71 -1.097 -8.389 3.599 772 HD13 ILE 71 2HD1 ILE 71 0.336 -7.396 3.879 773 H LEU 72 H LEU 72 4.385 -5.732 1.802 774 HA LEU 72 HA LEU 72 3.995 -4.938 4.617 775 HB2 LEU 72 2HB LEU 72 6.576 -5.631 3.210 776 HB3 LEU 72 1HB LEU 72 6.481 -4.937 4.814 777 HG LEU 72 HG LEU 72 6.763 -7.127 5.367 778 HD11 LEU 72 1HD1 LEU 72 4.527 -8.245 5.755 779 HD12 LEU 72 2HD1 LEU 72 4.775 -6.662 6.493 780 HD13 LEU 72 3HD1 LEU 72 3.809 -6.808 5.025 781 HD21 LEU 72 3HD2 LEU 72 5.559 -8.967 3.971 782 HD22 LEU 72 1HD2 LEU 72 5.486 -7.707 2.742 783 HD23 LEU 72 2HD2 LEU 72 7.046 -8.228 3.377 784 H CYS 73 H CYS 73 5.159 -2.935 5.204 785 HA CYS 73 HA CYS 73 4.714 -0.894 3.254 786 HB2 CYS 73 2HB CYS 73 5.436 0.647 5.008 787 HB3 CYS 73 1HB CYS 73 4.290 -0.524 5.650 788 H ARG 74 H ARG 74 6.621 0.904 3.342 789 HA ARG 74 HA ARG 74 8.612 -0.116 1.637 790 HB2 ARG 74 2HB ARG 74 8.728 2.481 3.180 791 HB3 ARG 74 1HB ARG 74 9.603 2.087 1.710 792 HG2 ARG 74 2HG ARG 74 7.329 1.840 0.602 793 HG3 ARG 74 1HG ARG 74 6.669 2.616 2.043 794 HD2 ARG 74 2HD ARG 74 8.402 3.739 -0.102 795 HD3 ARG 74 1HD ARG 74 6.992 4.439 0.687 796 HE ARG 74 HE ARG 74 9.466 4.139 2.238 797 HH11 ARG 74 2HH1 ARG 74 7.225 6.259 0.563 798 HH12 ARG 74 1HH1 ARG 74 7.792 7.687 1.361 799 HH21 ARG 74 2HH2 ARG 74 10.213 6.006 3.269 800 HH22 ARG 74 1HH2 ARG 74 9.511 7.553 2.898 801 H ASN 75 H ASN 75 8.579 0.586 5.073 802 HA ASN 75 HA ASN 75 11.414 0.198 5.387 803 HB2 ASN 75 2HB ASN 75 9.699 0.049 7.787 804 HB3 ASN 75 1HB ASN 75 11.149 1.000 7.498 805 HD21 ASN 75 1HD2 ASN 75 7.682 0.824 6.874 806 HD22 ASN 75 2HD2 ASN 75 7.459 2.532 6.676 807 H ASP 76 H ASP 76 8.476 -1.634 6.118 808 HA ASP 76 HA ASP 76 9.868 -3.593 7.664 809 HB2 ASP 76 2HB ASP 76 7.082 -3.097 6.864 810 HB3 ASP 76 1HB ASP 76 7.499 -4.794 7.100 811 H TYR 77 H TYR 77 9.107 -3.273 4.302 812 HA TYR 77 HA TYR 77 9.324 -5.971 3.559 813 HB2 TYR 77 2HB TYR 77 8.507 -4.456 1.915 814 HB3 TYR 77 1HB TYR 77 9.929 -3.426 2.053 815 HD1 TYR 77 2HD TYR 77 9.326 -7.071 1.433 816 HD2 TYR 77 1HD TYR 77 11.277 -3.498 0.189 817 HE1 TYR 77 2HE TYR 77 10.401 -8.302 -0.407 818 HE2 TYR 77 1HE TYR 77 12.362 -4.722 -1.644 819 HH TYR 77 HH TYR 77 13.016 -7.318 -1.967 820 H ILE 78 H ILE 78 11.774 -3.454 3.974 821 HA ILE 78 HA ILE 78 13.952 -5.089 3.138 822 HB ILE 78 HB ILE 78 14.404 -2.811 5.011 823 HG12 ILE 78 2HG1 ILE 78 13.796 -2.297 2.108 824 HG13 ILE 78 1HG1 ILE 78 12.525 -2.232 3.325 825 HG21 ILE 78 1HG2 ILE 78 16.366 -2.498 3.779 826 HG22 ILE 78 2HG2 ILE 78 16.177 -4.250 3.856 827 HG23 ILE 78 3HG2 ILE 78 15.739 -3.379 2.387 828 HD11 ILE 78 3HD1 ILE 78 13.133 -0.191 3.936 829 HD12 ILE 78 1HD1 ILE 78 14.817 -0.678 4.129 830 HD13 ILE 78 2HD1 ILE 78 14.220 -0.173 2.548 831 H ARG 79 H ARG 79 12.372 -4.433 6.182 832 HA ARG 79 HA ARG 79 14.332 -5.655 7.845 833 HB2 ARG 79 2HB ARG 79 12.442 -4.009 8.490 834 HB3 ARG 79 1HB ARG 79 11.411 -5.433 8.540 835 HG2 ARG 79 2HG ARG 79 12.802 -6.428 10.248 836 HG3 ARG 79 1HG ARG 79 13.934 -5.078 10.147 837 HD2 ARG 79 2HD ARG 79 11.640 -3.743 10.614 838 HD3 ARG 79 1HD ARG 79 11.293 -5.253 11.456 839 HE ARG 79 HE ARG 79 13.204 -3.228 12.204 840 HH11 ARG 79 2HH1 ARG 79 12.256 -6.578 12.556 841 HH12 ARG 79 1HH1 ARG 79 13.135 -6.806 14.041 842 HH21 ARG 79 2HH2 ARG 79 14.330 -3.500 14.186 843 HH22 ARG 79 1HH2 ARG 79 14.288 -5.048 14.984 844 H LEU 80 H LEU 80 11.447 -6.784 6.184 845 HA LEU 80 HA LEU 80 11.529 -9.380 7.422 846 HB2 LEU 80 2HB LEU 80 9.793 -7.975 5.488 847 HB3 LEU 80 1HB LEU 80 9.887 -9.713 5.296 848 HG LEU 80 HG LEU 80 8.700 -8.125 7.519 849 HD11 LEU 80 1HD1 LEU 80 7.655 -10.759 6.812 850 HD12 LEU 80 2HD1 LEU 80 6.828 -9.209 6.955 851 HD13 LEU 80 3HD1 LEU 80 7.687 -9.615 5.469 852 HD21 LEU 80 3HD2 LEU 80 9.036 -10.927 8.202 853 HD22 LEU 80 1HD2 LEU 80 10.572 -10.065 8.117 854 HD23 LEU 80 2HD2 LEU 80 9.295 -9.484 9.185 855 H PHE 81 H PHE 81 12.077 -8.168 4.108 856 HA PHE 81 HA PHE 81 13.684 -10.585 3.604 857 HB2 PHE 81 2HB PHE 81 11.720 -9.230 1.749 858 HB3 PHE 81 1HB PHE 81 12.889 -10.429 1.213 859 HD1 PHE 81 1HD PHE 81 9.918 -9.877 3.319 860 HD2 PHE 81 2HD PHE 81 12.522 -12.739 1.548 861 HE1 PHE 81 1HE PHE 81 8.324 -11.669 3.880 862 HE2 PHE 81 2HE PHE 81 10.938 -14.535 2.109 863 HZ PHE 81 HZ PHE 81 8.834 -14.000 3.276 864 H GLY 82 H GLY 82 12.972 -7.662 1.718 865 HA2 GLY 82 1HA GLY 82 14.439 -5.974 1.051 866 HA3 GLY 82 2HA GLY 82 15.754 -6.833 1.847 Start of MODEL 11 1 H SER 641 1H SER 641 30.602 24.338 -8.703 2 HA SER 641 HA SER 641 29.272 24.571 -10.960 3 HB2 SER 641 2HB SER 641 30.983 22.133 -10.660 4 HB3 SER 641 1HB SER 641 31.026 23.394 -11.895 5 HG SER 641 HG SER 641 32.415 24.455 -10.734 6 H LEU 642 H LEU 642 28.758 22.601 -12.558 7 HA LEU 642 HA LEU 642 26.760 20.929 -11.168 8 HB2 LEU 642 2HB LEU 642 26.539 22.342 -13.818 9 HB3 LEU 642 1HB LEU 642 25.401 21.125 -13.271 10 HG LEU 642 HG LEU 642 25.601 23.037 -11.198 11 HD11 LEU 642 1HD1 LEU 642 26.555 24.573 -12.840 12 HD12 LEU 642 2HD1 LEU 642 25.163 24.314 -13.893 13 HD13 LEU 642 3HD1 LEU 642 24.949 25.089 -12.322 14 HD21 LEU 642 3HD2 LEU 642 23.205 23.502 -12.403 15 HD22 LEU 642 1HD2 LEU 642 23.598 21.890 -13.001 16 HD23 LEU 642 2HD2 LEU 642 23.527 22.193 -11.266 17 H GLN 643 H GLN 643 29.526 20.914 -13.031 18 HA GLN 643 HA GLN 643 28.904 18.356 -14.311 19 HB2 GLN 643 2HB GLN 643 30.470 20.525 -15.098 20 HB3 GLN 643 1HB GLN 643 31.638 19.294 -14.641 21 HG2 GLN 643 2HG GLN 643 29.374 18.531 -16.412 22 HG3 GLN 643 1HG GLN 643 30.714 19.455 -17.085 23 HE21 GLN 643 1HE2 GLN 643 29.590 16.489 -16.948 24 HE22 GLN 643 2HE2 GLN 643 31.058 15.572 -16.889 25 H ASN 644 H ASN 644 29.317 18.853 -11.368 26 HA ASN 644 HA ASN 644 31.411 16.829 -10.945 27 HB2 ASN 644 2HB ASN 644 31.690 19.439 -10.179 28 HB3 ASN 644 1HB ASN 644 30.976 18.732 -8.736 29 HD21 ASN 644 1HD2 ASN 644 33.488 19.783 -8.675 30 HD22 ASN 644 2HD2 ASN 644 34.654 18.515 -8.488 31 H ASN 645 H ASN 645 29.703 15.288 -10.950 32 HA ASN 645 HA ASN 645 28.527 14.906 -8.349 33 HB2 ASN 645 2HB ASN 645 26.949 16.459 -9.671 34 HB3 ASN 645 1HB ASN 645 26.579 15.037 -10.641 35 HD21 ASN 645 1HD2 ASN 645 24.444 15.006 -9.975 36 HD22 ASN 645 2HD2 ASN 645 23.986 14.511 -8.377 37 H GLN 646 H GLN 646 29.014 12.868 -7.997 38 HA GLN 646 HA GLN 646 28.896 10.944 -10.214 39 HB2 GLN 646 2HB GLN 646 30.179 10.723 -7.484 40 HB3 GLN 646 1HB GLN 646 30.176 9.449 -8.693 41 HG2 GLN 646 2HG GLN 646 31.580 12.101 -8.789 42 HG3 GLN 646 1HG GLN 646 32.285 10.487 -8.811 43 HE21 GLN 646 1HE2 GLN 646 32.478 12.805 -10.656 44 HE22 GLN 646 2HE2 GLN 646 32.071 12.166 -12.215 45 H ASP 647 H ASP 647 26.458 11.567 -9.606 46 HA ASP 647 HA ASP 647 25.464 9.713 -7.560 47 HB2 ASP 647 2HB ASP 647 24.739 12.153 -7.615 48 HB3 ASP 647 1HB ASP 647 23.856 11.762 -9.087 49 H VAL 648 H VAL 648 23.492 8.483 -8.106 50 HA VAL 648 HA VAL 648 23.757 7.282 -10.751 51 HB VAL 648 HB VAL 648 21.825 5.790 -9.726 52 HG11 VAL 648 1HG1 VAL 648 23.657 4.414 -8.584 53 HG12 VAL 648 2HG1 VAL 648 23.843 4.767 -10.303 54 HG13 VAL 648 3HG1 VAL 648 24.757 5.689 -9.110 55 HG21 VAL 648 3HG2 VAL 648 22.268 7.537 -7.595 56 HG22 VAL 648 1HG2 VAL 648 21.340 6.037 -7.569 57 HG23 VAL 648 2HG2 VAL 648 23.046 6.026 -7.123 58 H SER 649 H SER 649 22.920 9.711 -11.185 59 HA SER 649 HA SER 649 20.092 10.072 -11.040 60 HB2 SER 649 2HB SER 649 21.364 11.765 -12.998 61 HB3 SER 649 1HB SER 649 20.671 12.203 -11.435 62 HG SER 649 HG SER 649 23.214 12.197 -12.091 63 H PHE 650 H PHE 650 19.940 7.792 -12.132 64 HA PHE 650 HA PHE 650 19.183 8.330 -14.892 65 HB2 PHE 650 2HB PHE 650 21.446 6.701 -14.141 66 HB3 PHE 650 1HB PHE 650 20.241 5.733 -14.983 67 HD1 PHE 650 1HD PHE 650 19.226 6.949 -17.126 68 HD2 PHE 650 2HD PHE 650 23.041 7.738 -15.417 69 HE1 PHE 650 1HE PHE 650 19.994 7.862 -19.277 70 HE2 PHE 650 2HE PHE 650 23.820 8.650 -17.566 71 HZ PHE 650 HZ PHE 650 22.295 8.713 -19.496 72 H GLU 651 H GLU 651 17.123 8.321 -13.882 73 HA GLU 651 HA GLU 651 16.129 5.832 -12.749 74 HB2 GLU 651 2HB GLU 651 13.946 7.483 -13.065 75 HB3 GLU 651 1HB GLU 651 14.935 7.369 -11.618 76 HG2 GLU 651 2HG GLU 651 14.645 9.675 -12.183 77 HG3 GLU 651 1HG GLU 651 16.327 9.229 -12.458 78 H ASN 652 H ASN 652 16.565 7.168 -15.747 79 HA ASN 652 HA ASN 652 14.199 6.315 -17.082 80 HB2 ASN 652 2HB ASN 652 16.199 8.026 -17.726 81 HB3 ASN 652 1HB ASN 652 16.680 6.615 -18.663 82 HD21 ASN 652 1HD2 ASN 652 15.706 6.244 -20.534 83 HD22 ASN 652 2HD2 ASN 652 14.316 7.088 -21.127 84 H ILE 653 H ILE 653 17.194 4.776 -16.239 85 HA ILE 653 HA ILE 653 16.654 2.576 -18.093 86 HB ILE 653 HB ILE 653 18.944 1.754 -17.138 87 HG12 ILE 653 2HG1 ILE 653 19.819 4.516 -16.932 88 HG13 ILE 653 1HG1 ILE 653 18.659 4.111 -15.668 89 HG21 ILE 653 1HG2 ILE 653 19.351 2.191 -19.273 90 HG22 ILE 653 2HG2 ILE 653 18.163 3.494 -19.294 91 HG23 ILE 653 3HG2 ILE 653 19.821 3.820 -18.789 92 HD11 ILE 653 3HD1 ILE 653 21.048 3.772 -15.053 93 HD12 ILE 653 1HD1 ILE 653 20.037 2.338 -14.878 94 HD13 ILE 653 2HD1 ILE 653 21.121 2.486 -16.263 95 H GLN 654 H GLN 654 14.785 2.051 -16.707 96 HA GLN 654 HA GLN 654 15.507 0.608 -14.262 97 HB2 GLN 654 2HB GLN 654 13.045 1.866 -15.301 98 HB3 GLN 654 1HB GLN 654 12.809 0.371 -14.407 99 HG2 GLN 654 2HG GLN 654 13.887 1.306 -12.482 100 HG3 GLN 654 1HG GLN 654 14.329 2.747 -13.392 101 HE21 GLN 654 1HE2 GLN 654 12.708 4.225 -13.983 102 HE22 GLN 654 2HE2 GLN 654 11.198 4.286 -13.140 103 H TRP 655 H TRP 655 16.576 -0.655 -16.264 104 HA TRP 655 HA TRP 655 14.776 -2.603 -17.416 105 HB2 TRP 655 2HB TRP 655 16.867 -3.519 -18.466 106 HB3 TRP 655 1HB TRP 655 16.519 -1.844 -18.872 107 HD1 TRP 655 HD TRP 655 18.015 0.010 -17.312 108 HE1 TRP 655 1HE TRP 655 20.501 -0.141 -16.666 109 HE3 TRP 655 3HE TRP 655 18.734 -5.000 -18.011 110 HZ2 TRP 655 2HZ TRP 655 22.504 -2.122 -16.480 111 HZ3 TRP 655 3HZ TRP 655 20.963 -5.945 -17.580 112 HH2 TRP 655 HH TRP 655 22.810 -4.532 -16.830 113 H SER 656 H SER 656 16.787 -4.759 -17.356 114 HA SER 656 HA SER 656 15.900 -5.977 -14.921 115 HB2 SER 656 2HB SER 656 17.932 -7.139 -16.807 116 HB3 SER 656 1HB SER 656 16.733 -7.981 -15.823 117 HG SER 656 HG SER 656 15.111 -6.967 -17.149 118 H ILE 657 H ILE 657 17.078 -4.146 -13.728 119 HA ILE 657 HA ILE 657 19.918 -4.574 -13.341 120 HB ILE 657 HB ILE 657 19.505 -2.877 -11.426 121 HG12 ILE 657 2HG1 ILE 657 17.234 -1.725 -12.802 122 HG13 ILE 657 1HG1 ILE 657 16.843 -3.330 -12.197 123 HG21 ILE 657 1HG2 ILE 657 19.244 -2.254 -14.351 124 HG22 ILE 657 2HG2 ILE 657 19.381 -0.995 -13.123 125 HG23 ILE 657 3HG2 ILE 657 20.681 -2.169 -13.331 126 HD11 ILE 657 3HD1 ILE 657 16.289 -2.136 -10.367 127 HD12 ILE 657 1HD1 ILE 657 18.007 -2.343 -10.015 128 HD13 ILE 657 2HD1 ILE 657 17.429 -0.840 -10.733 129 H ASP 658 H ASP 658 20.166 -4.199 -10.598 130 HA ASP 658 HA ASP 658 19.568 -6.838 -9.636 131 HB2 ASP 658 2HB ASP 658 21.683 -5.712 -9.044 132 HB3 ASP 658 1HB ASP 658 20.778 -4.477 -8.176 133 HA PRO 659 HA PRO 659 15.556 -5.712 -8.083 134 HB2 PRO 659 2HB PRO 659 15.691 -8.275 -6.646 135 HB3 PRO 659 1HB PRO 659 14.570 -7.753 -7.906 136 HG2 PRO 659 2HG PRO 659 16.457 -9.598 -8.389 137 HG3 PRO 659 1HG PRO 659 15.977 -8.413 -9.618 138 HD2 PRO 659 2HD PRO 659 18.379 -8.411 -7.824 139 HD3 PRO 659 1HD PRO 659 18.267 -8.027 -9.556 140 H GLY 660 H GLY 660 18.353 -6.138 -6.223 141 HA2 GLY 660 1HA GLY 660 16.967 -5.481 -3.719 142 HA3 GLY 660 2HA GLY 660 18.651 -5.969 -3.867 143 H ALA 661 H ALA 661 19.046 -4.151 -6.163 144 HA ALA 661 HA ALA 661 19.860 -1.823 -4.766 145 HB1 ALA 661 1HB ALA 661 20.043 -2.848 -7.482 146 HB2 ALA 661 2HB ALA 661 19.805 -1.101 -7.430 147 HB3 ALA 661 3HB ALA 661 21.166 -1.830 -6.578 148 H ASP 662 H ASP 662 17.173 -2.514 -6.965 149 HA ASP 662 HA ASP 662 15.658 -0.406 -5.625 150 HB2 ASP 662 2HB ASP 662 16.577 0.406 -7.895 151 HB3 ASP 662 1HB ASP 662 15.427 -0.721 -8.612 152 H LEU 663 H LEU 663 13.538 -0.889 -5.327 153 HA LEU 663 HA LEU 663 12.845 -3.670 -5.940 154 HB2 LEU 663 2HB LEU 663 11.233 -2.125 -4.000 155 HB3 LEU 663 1HB LEU 663 11.772 -3.794 -3.940 156 HG LEU 663 HG LEU 663 13.828 -1.667 -3.608 157 HD11 LEU 663 1HD1 LEU 663 11.900 -0.959 -2.208 158 HD12 LEU 663 2HD1 LEU 663 12.006 -2.503 -1.363 159 HD13 LEU 663 3HD1 LEU 663 13.348 -1.363 -1.287 160 HD21 LEU 663 3HD2 LEU 663 13.427 -4.509 -2.937 161 HD22 LEU 663 1HD2 LEU 663 14.897 -3.641 -3.383 162 HD23 LEU 663 2HD2 LEU 663 14.286 -3.548 -1.731 163 H SER 664 H SER 664 12.539 -1.827 -7.991 164 HA SER 664 HA SER 664 10.077 -0.523 -8.165 165 HB2 SER 664 2HB SER 664 10.866 -1.426 -10.754 166 HB3 SER 664 1HB SER 664 11.070 0.178 -10.043 167 HG SER 664 HG SER 664 13.079 -0.317 -9.415 168 H GLN 665 H GLN 665 10.955 -3.854 -8.807 169 HA GLN 665 HA GLN 665 8.392 -4.439 -10.020 170 HB2 GLN 665 2HB GLN 665 10.975 -5.637 -10.016 171 HB3 GLN 665 1HB GLN 665 9.824 -6.822 -9.414 172 HG2 GLN 665 2HG GLN 665 10.324 -6.624 -11.966 173 HG3 GLN 665 1HG GLN 665 8.690 -6.936 -11.390 174 HE21 GLN 665 1HE2 GLN 665 7.108 -5.498 -11.801 175 HE22 GLN 665 2HE2 GLN 665 7.337 -4.034 -12.701 176 H TYR 666 H TYR 666 9.490 -4.141 -6.903 177 HA TYR 666 HA TYR 666 7.893 -6.343 -5.852 178 HB2 TYR 666 2HB TYR 666 9.925 -4.504 -4.615 179 HB3 TYR 666 1HB TYR 666 8.891 -5.540 -3.633 180 HD1 TYR 666 1HD TYR 666 8.861 -8.081 -4.437 181 HD2 TYR 666 2HD TYR 666 11.997 -5.316 -5.216 182 HE1 TYR 666 1HE TYR 666 10.419 -9.951 -4.761 183 HE2 TYR 666 2HE TYR 666 13.568 -7.180 -5.538 184 HH TYR 666 HH TYR 666 12.727 -10.199 -6.155 185 H LYS 667 H LYS 667 7.775 -2.894 -6.213 186 HA LYS 667 HA LYS 667 5.784 -2.529 -4.174 187 HB2 LYS 667 2HB LYS 667 5.474 -0.277 -5.476 188 HB3 LYS 667 1HB LYS 667 6.886 -0.538 -4.471 189 HG2 LYS 667 2HG LYS 667 7.549 -1.459 -7.046 190 HG3 LYS 667 1HG LYS 667 6.728 0.088 -7.251 191 HD2 LYS 667 2HD LYS 667 8.709 -0.004 -5.074 192 HD3 LYS 667 1HD LYS 667 9.369 -0.183 -6.700 193 HE2 LYS 667 2HE LYS 667 7.841 1.884 -7.216 194 HE3 LYS 667 1HE LYS 667 7.933 2.128 -5.472 195 HZ1 LYS 667 3HZ LYS 667 10.482 1.833 -5.922 196 HZ2 LYS 667 1HZ LYS 667 9.726 3.329 -6.183 197 HZ3 LYS 667 2HZ LYS 667 10.058 2.307 -7.491 198 H MET 668 H MET 668 3.709 -2.905 -4.325 199 HA MET 668 HA MET 668 2.637 -3.882 -6.818 200 HB2 MET 668 2HB MET 668 0.591 -4.327 -5.479 201 HB3 MET 668 1HB MET 668 2.037 -5.074 -4.822 202 HG2 MET 668 2HG MET 668 1.845 -2.577 -3.582 203 HG3 MET 668 1HG MET 668 0.215 -3.246 -3.586 204 HE1 MET 668 3HE MET 668 0.204 -5.867 -3.565 205 HE2 MET 668 1HE MET 668 1.378 -6.871 -2.716 206 HE3 MET 668 2HE MET 668 0.015 -6.177 -1.839 207 H ASP 669 H ASP 669 0.959 -3.017 -7.988 208 HA ASP 669 HA ASP 669 0.808 -0.136 -7.916 209 HB2 ASP 669 2HB ASP 669 0.885 -1.756 -9.981 210 HB3 ASP 669 1HB ASP 669 -0.855 -1.838 -9.733 211 H VAL 670 H VAL 670 -0.454 0.720 -6.396 212 HA VAL 670 HA VAL 670 -2.876 -0.617 -5.555 213 HB VAL 670 HB VAL 670 -1.977 2.104 -4.629 214 HG11 VAL 670 1HG1 VAL 670 -3.031 0.533 -2.552 215 HG12 VAL 670 2HG1 VAL 670 -3.778 1.923 -3.344 216 HG13 VAL 670 3HG1 VAL 670 -4.089 0.294 -3.943 217 HG21 VAL 670 3HG2 VAL 670 -0.973 0.607 -2.702 218 HG22 VAL 670 1HG2 VAL 670 -0.832 -0.570 -4.007 219 HG23 VAL 670 2HG2 VAL 670 -0.034 0.997 -4.143 220 H THR 671 H THR 671 -4.309 -0.492 -7.238 221 HA THR 671 HA THR 671 -4.991 2.099 -8.376 222 HB THR 671 HB THR 671 -6.587 -0.348 -9.013 223 HG1 THR 671 1HG THR 671 -4.333 -0.179 -10.552 224 HG21 THR 671 3HG2 THR 671 -6.402 2.204 -10.034 225 HG22 THR 671 1HG2 THR 671 -7.110 0.815 -10.857 226 HG23 THR 671 2HG2 THR 671 -5.431 1.257 -11.161 227 H VAL 672 H VAL 672 -6.278 3.358 -7.173 228 HA VAL 672 HA VAL 672 -8.239 2.233 -5.377 229 HB VAL 672 HB VAL 672 -8.256 5.141 -6.075 230 HG11 VAL 672 1HG1 VAL 672 -8.558 3.592 -3.507 231 HG12 VAL 672 2HG1 VAL 672 -8.687 5.345 -3.658 232 HG13 VAL 672 3HG1 VAL 672 -9.856 4.299 -4.468 233 HG21 VAL 672 3HG2 VAL 672 -6.266 4.150 -4.081 234 HG22 VAL 672 1HG2 VAL 672 -5.837 4.212 -5.790 235 HG23 VAL 672 2HG2 VAL 672 -6.320 5.686 -4.947 236 H ILE 673 H ILE 673 -10.264 1.722 -5.906 237 HA ILE 673 HA ILE 673 -11.176 2.367 -8.595 238 HB ILE 673 HB ILE 673 -12.259 0.455 -6.526 239 HG12 ILE 673 2HG1 ILE 673 -11.673 -0.884 -8.901 240 HG13 ILE 673 1HG1 ILE 673 -10.346 0.260 -8.710 241 HG21 ILE 673 1HG2 ILE 673 -13.415 -0.035 -9.055 242 HG22 ILE 673 2HG2 ILE 673 -14.216 0.491 -7.573 243 HG23 ILE 673 3HG2 ILE 673 -13.611 1.686 -8.719 244 HD11 ILE 673 3HD1 ILE 673 -9.682 -1.748 -7.662 245 HD12 ILE 673 1HD1 ILE 673 -10.078 -0.611 -6.373 246 HD13 ILE 673 2HD1 ILE 673 -11.217 -1.887 -6.803 247 H ASP 674 H ASP 674 -12.684 3.803 -9.047 248 HA ASP 674 HA ASP 674 -13.880 5.381 -6.952 249 HB2 ASP 674 2HB ASP 674 -13.149 6.592 -8.873 250 HB3 ASP 674 1HB ASP 674 -13.972 5.490 -9.969 251 H THR 675 H THR 675 -15.601 4.624 -5.913 252 HA THR 675 HA THR 675 -17.288 2.590 -7.001 253 HB THR 675 HB THR 675 -18.263 3.946 -4.597 254 HG1 THR 675 1HG THR 675 -16.365 2.971 -3.414 255 HG21 THR 675 3HG2 THR 675 -19.141 1.855 -4.728 256 HG22 THR 675 1HG2 THR 675 -17.673 1.439 -3.843 257 HG23 THR 675 2HG2 THR 675 -17.748 1.203 -5.589 258 H LYS 676 H LYS 676 -17.735 4.301 -8.851 259 HA LYS 676 HA LYS 676 -19.895 6.113 -8.323 260 HB2 LYS 676 2HB LYS 676 -18.105 5.949 -10.333 261 HB3 LYS 676 1HB LYS 676 -19.462 5.127 -11.090 262 HG2 LYS 676 2HG LYS 676 -19.778 7.322 -11.732 263 HG3 LYS 676 1HG LYS 676 -20.833 7.181 -10.324 264 HD2 LYS 676 2HD LYS 676 -19.760 8.891 -9.390 265 HD3 LYS 676 1HD LYS 676 -18.292 7.913 -9.356 266 HE2 LYS 676 2HE LYS 676 -17.446 8.865 -11.264 267 HE3 LYS 676 1HE LYS 676 -19.040 9.270 -11.898 268 HZ1 LYS 676 3HZ LYS 676 -19.074 11.227 -10.809 269 HZ2 LYS 676 1HZ LYS 676 -17.385 11.060 -10.837 270 HZ3 LYS 676 2HZ LYS 676 -18.257 10.630 -9.448 271 H ASP 677 H ASP 677 -19.589 2.846 -9.613 272 HA ASP 677 HA ASP 677 -22.374 2.586 -10.170 273 HB2 ASP 677 2HB ASP 677 -20.550 1.291 -11.363 274 HB3 ASP 677 1HB ASP 677 -20.394 0.326 -9.895 275 H GLY 678 H GLY 678 -23.874 2.159 -8.840 276 HA2 GLY 678 1HA GLY 678 -24.738 0.806 -6.977 277 HA3 GLY 678 2HA GLY 678 -23.208 1.117 -6.160 278 H SER 679 H SER 679 -23.033 3.840 -7.039 279 HA SER 679 HA SER 679 -24.996 5.044 -5.236 280 HB2 SER 679 2HB SER 679 -22.663 6.557 -6.335 281 HB3 SER 679 1HB SER 679 -23.421 6.665 -4.748 282 HG SER 679 HG SER 679 -21.276 5.246 -5.464 283 H GLN 680 H GLN 680 -23.554 5.461 -8.455 284 HA GLN 680 HA GLN 680 -25.742 7.325 -9.115 285 HB2 GLN 680 2HB GLN 680 -22.984 7.755 -9.200 286 HB3 GLN 680 1HB GLN 680 -23.446 7.500 -10.877 287 HG2 GLN 680 2HG GLN 680 -25.005 9.302 -10.796 288 HG3 GLN 680 1HG GLN 680 -24.801 9.469 -9.053 289 HE21 GLN 680 1HE2 GLN 680 -22.746 9.373 -11.950 290 HE22 GLN 680 2HE2 GLN 680 -21.769 10.732 -11.512 291 H SER 681 H SER 681 -25.956 4.492 -9.380 292 HA SER 681 HA SER 681 -25.561 3.847 -12.158 293 HB2 SER 681 2HB SER 681 -27.205 2.265 -10.188 294 HB3 SER 681 1HB SER 681 -26.356 1.685 -11.622 295 HG SER 681 HG SER 681 -24.598 1.495 -10.494 296 H LYS 682 H LYS 682 -26.857 5.857 -12.705 297 HA LYS 682 HA LYS 682 -29.736 5.312 -12.780 298 HB2 LYS 682 2HB LYS 682 -28.181 7.678 -12.518 299 HB3 LYS 682 1HB LYS 682 -29.051 7.787 -14.043 300 HG2 LYS 682 2HG LYS 682 -31.149 7.556 -12.953 301 HG3 LYS 682 1HG LYS 682 -30.377 7.132 -11.425 302 HD2 LYS 682 2HD LYS 682 -31.001 9.380 -11.179 303 HD3 LYS 682 1HD LYS 682 -29.275 9.431 -11.541 304 HE2 LYS 682 2HE LYS 682 -30.644 9.478 -14.010 305 HE3 LYS 682 1HE LYS 682 -31.447 10.639 -12.954 306 HZ1 LYS 682 3HZ LYS 682 -29.808 11.945 -13.789 307 HZ2 LYS 682 1HZ LYS 682 -28.717 10.662 -14.009 308 HZ3 LYS 682 2HZ LYS 682 -28.962 11.308 -12.464 309 H LEU 683 H LEU 683 -27.041 4.729 -14.559 310 HA LEU 683 HA LEU 683 -28.077 5.331 -17.177 311 HB2 LEU 683 2HB LEU 683 -25.962 3.782 -17.715 312 HB3 LEU 683 1HB LEU 683 -25.825 5.489 -17.342 313 HG LEU 683 HG LEU 683 -25.749 3.981 -14.902 314 HD11 LEU 683 1HD1 LEU 683 -24.780 2.094 -15.649 315 HD12 LEU 683 2HD1 LEU 683 -24.285 2.827 -17.175 316 HD13 LEU 683 3HD1 LEU 683 -23.328 3.093 -15.717 317 HD21 LEU 683 3HD2 LEU 683 -24.796 6.301 -15.714 318 HD22 LEU 683 1HD2 LEU 683 -24.013 5.385 -14.427 319 HD23 LEU 683 2HD2 LEU 683 -23.369 5.327 -16.067 320 H GLY 684 H GLY 684 -29.813 4.133 -17.742 321 HA2 GLY 684 1HA GLY 684 -30.052 1.344 -17.088 322 HA3 GLY 684 2HA GLY 684 -31.125 2.272 -18.128 323 H GLY 685 H GLY 685 -29.122 3.217 -19.909 324 HA2 GLY 685 1HA GLY 685 -28.036 2.631 -21.834 325 HA3 GLY 685 2HA GLY 685 -27.514 1.182 -20.989 326 H GLY 901 H GLY 901 -27.990 -0.562 -22.106 327 HA2 GLY 901 1HA GLY 901 -30.319 -0.557 -23.882 328 HA3 GLY 901 2HA GLY 901 -29.018 -1.740 -23.874 329 H GLY 902 H GLY 902 -30.988 -0.592 -21.166 330 HA2 GLY 902 1HA GLY 902 -32.830 -2.663 -21.048 331 HA3 GLY 902 2HA GLY 902 -31.409 -3.214 -20.172 332 H SER 903 H SER 903 -32.548 -3.270 -18.223 333 HA SER 903 HA SER 903 -33.335 -0.645 -17.142 334 HB2 SER 903 2HB SER 903 -34.148 -2.941 -15.551 335 HB3 SER 903 1HB SER 903 -35.129 -1.638 -16.223 336 HG SER 903 HG SER 903 -35.022 -2.773 -18.256 337 H GLY 904 H GLY 904 -31.248 -3.393 -16.740 338 HA2 GLY 904 1HA GLY 904 -29.238 -2.278 -15.357 339 HA3 GLY 904 2HA GLY 904 -30.395 -2.624 -14.080 340 H GLY 905 H GLY 905 -27.777 -3.750 -14.331 341 HA2 GLY 905 1HA GLY 905 -28.116 -6.443 -15.367 342 HA3 GLY 905 2HA GLY 905 -26.658 -5.774 -14.649 343 H HIS 906 H HIS 906 -29.991 -6.540 -13.687 344 HA HIS 906 HA HIS 906 -28.899 -7.834 -11.285 345 HB2 HIS 906 2HB HIS 906 -31.142 -7.001 -10.202 346 HB3 HIS 906 1HB HIS 906 -29.747 -5.933 -10.277 347 HD1 HIS 906 1HD HIS 906 -32.686 -6.635 -12.650 348 HD2 HIS 906 2HD HIS 906 -30.519 -3.485 -11.017 349 HE1 HIS 906 1HE HIS 906 -33.708 -4.513 -13.572 350 H MET 907 H MET 907 -29.234 -9.924 -11.670 351 HA MET 907 HA MET 907 -31.496 -10.952 -13.061 352 HB2 MET 907 2HB MET 907 -30.717 -13.140 -12.403 353 HB3 MET 907 1HB MET 907 -29.334 -12.165 -12.872 354 HG2 MET 907 2HG MET 907 -28.395 -12.819 -10.972 355 HG3 MET 907 1HG MET 907 -29.523 -11.740 -10.152 356 HE1 MET 907 3HE MET 907 -28.550 -15.687 -10.439 357 HE2 MET 907 1HE MET 907 -27.871 -14.362 -9.495 358 HE3 MET 907 2HE MET 907 -28.877 -15.579 -8.709 359 H GLY 908 H GLY 908 -30.853 -10.103 -9.782 360 HA2 GLY 908 1HA GLY 908 -33.569 -10.161 -9.019 361 HA3 GLY 908 2HA GLY 908 -32.752 -11.590 -8.393 362 H SER 909 H SER 909 -30.368 -10.825 -7.614 363 HA SER 909 HA SER 909 -30.856 -9.028 -5.414 364 HB2 SER 909 2HB SER 909 -28.130 -10.078 -6.010 365 HB3 SER 909 1HB SER 909 -28.973 -9.947 -4.465 366 HG SER 909 HG SER 909 -30.131 -11.767 -4.930 367 H GLY 910 H GLY 910 -31.127 -7.009 -6.368 368 HA2 GLY 910 1HA GLY 910 -28.782 -5.912 -7.776 369 HA3 GLY 910 2HA GLY 910 -30.420 -5.281 -7.904 370 H GLY 911 H GLY 911 -27.931 -3.913 -7.178 371 HA2 GLY 911 1HA GLY 911 -27.832 -1.975 -5.789 372 HA3 GLY 911 2HA GLY 911 -28.890 -2.782 -4.637 373 H LEU 18 H LEU 18 -27.787 -5.086 -4.081 374 HA LEU 18 HA LEU 18 -25.177 -4.417 -2.952 375 HB2 LEU 18 2HB LEU 18 -26.377 -7.032 -2.376 376 HB3 LEU 18 1HB LEU 18 -25.621 -5.889 -1.284 377 HG LEU 18 HG LEU 18 -28.015 -4.666 -2.017 378 HD11 LEU 18 1HD1 LEU 18 -28.428 -7.613 -1.532 379 HD12 LEU 18 2HD1 LEU 18 -29.700 -6.394 -1.447 380 HD13 LEU 18 3HD1 LEU 18 -28.872 -6.700 -2.974 381 HD21 LEU 18 3HD2 LEU 18 -27.510 -4.321 0.152 382 HD22 LEU 18 1HD2 LEU 18 -28.587 -5.695 0.396 383 HD23 LEU 18 2HD2 LEU 18 -26.840 -5.938 0.366 384 H SER 19 H SER 19 -23.963 -4.598 -4.831 385 HA SER 19 HA SER 19 -23.995 -7.033 -6.384 386 HB2 SER 19 2HB SER 19 -21.875 -4.934 -6.643 387 HB3 SER 19 1HB SER 19 -22.655 -5.892 -7.904 388 HG SER 19 HG SER 19 -23.229 -3.519 -7.559 389 H TRP 20 H TRP 20 -22.004 -5.400 -4.042 390 HA TRP 20 HA TRP 20 -20.611 -6.205 -2.453 391 HB2 TRP 20 2HB TRP 20 -21.317 -8.870 -3.667 392 HB3 TRP 20 1HB TRP 20 -20.216 -8.694 -2.302 393 HD1 TRP 20 HD TRP 20 -23.585 -9.661 -2.770 394 HE1 TRP 20 1HE TRP 20 -25.097 -9.044 -0.781 395 HE3 TRP 20 3HE TRP 20 -20.540 -6.263 -0.512 396 HZ2 TRP 20 2HZ TRP 20 -24.992 -7.330 1.477 397 HZ3 TRP 20 3HZ TRP 20 -21.307 -5.172 1.563 398 HH2 TRP 20 HH TRP 20 -23.488 -5.695 2.533 399 H LYS 21 H LYS 21 -18.512 -6.035 -2.335 400 HA LYS 21 HA LYS 21 -16.877 -7.106 -4.538 401 HB2 LYS 21 2HB LYS 21 -16.787 -4.561 -3.089 402 HB3 LYS 21 1HB LYS 21 -15.234 -5.385 -3.127 403 HG2 LYS 21 2HG LYS 21 -15.442 -3.845 -4.991 404 HG3 LYS 21 1HG LYS 21 -15.350 -5.511 -5.562 405 HD2 LYS 21 2HD LYS 21 -18.057 -5.104 -5.258 406 HD3 LYS 21 1HD LYS 21 -17.486 -3.546 -5.856 407 HE2 LYS 21 2HE LYS 21 -17.166 -4.357 -7.909 408 HE3 LYS 21 1HE LYS 21 -16.275 -5.745 -7.293 409 HZ1 LYS 21 3HZ LYS 21 -18.751 -6.447 -6.646 410 HZ2 LYS 21 1HZ LYS 21 -18.033 -6.849 -8.129 411 HZ3 LYS 21 2HZ LYS 21 -19.079 -5.517 -8.025 412 H ARG 22 H ARG 22 -15.244 -8.506 -4.006 413 HA ARG 22 HA ARG 22 -15.645 -9.770 -1.432 414 HB2 ARG 22 2HB ARG 22 -15.711 -11.224 -3.332 415 HB3 ARG 22 1HB ARG 22 -14.176 -10.612 -3.932 416 HG2 ARG 22 2HG ARG 22 -13.766 -12.751 -3.008 417 HG3 ARG 22 1HG ARG 22 -13.098 -11.566 -1.884 418 HD2 ARG 22 2HD ARG 22 -14.334 -12.422 -0.254 419 HD3 ARG 22 1HD ARG 22 -15.795 -12.012 -1.151 420 HE ARG 22 HE ARG 22 -14.502 -14.611 -0.978 421 HH11 ARG 22 2HH1 ARG 22 -16.942 -12.619 -2.505 422 HH12 ARG 22 1HH1 ARG 22 -17.832 -13.968 -3.144 423 HH21 ARG 22 2HH2 ARG 22 -15.677 -16.391 -1.790 424 HH22 ARG 22 1HH2 ARG 22 -17.126 -16.110 -2.712 425 H CYS 23 H CYS 23 -14.334 -9.604 0.232 426 HA CYS 23 HA CYS 23 -11.906 -8.117 0.170 427 HB2 CYS 23 2HB CYS 23 -13.264 -9.789 2.273 428 HB3 CYS 23 1HB CYS 23 -11.673 -9.096 2.523 429 H ALA 24 H ALA 24 -9.813 -8.872 0.634 430 HA ALA 24 HA ALA 24 -9.390 -11.772 0.365 431 HB1 ALA 24 1HB ALA 24 -7.170 -10.993 -0.795 432 HB2 ALA 24 2HB ALA 24 -8.665 -11.149 -1.715 433 HB3 ALA 24 3HB ALA 24 -8.126 -9.560 -1.172 434 H GLY 25 H GLY 25 -8.986 -9.046 2.233 435 HA2 GLY 25 1HA GLY 25 -6.502 -10.092 3.436 436 HA3 GLY 25 2HA GLY 25 -6.967 -8.401 3.444 437 H CYS 26 H CYS 26 -9.668 -8.679 4.233 438 HA CYS 26 HA CYS 26 -9.179 -9.498 6.992 439 HB2 CYS 26 2HB CYS 26 -10.581 -7.814 7.764 440 HB3 CYS 26 1HB CYS 26 -9.743 -7.071 6.419 441 H GLY 27 H GLY 27 -12.462 -9.059 5.863 442 HA2 GLY 27 1HA GLY 27 -12.995 -11.754 6.864 443 HA3 GLY 27 2HA GLY 27 -14.189 -10.500 6.574 444 H GLY 28 H GLY 28 -14.491 -9.938 4.192 445 HA2 GLY 28 1HA GLY 28 -13.982 -11.689 2.122 446 HA3 GLY 28 2HA GLY 28 -15.372 -12.356 2.965 447 H LYS 29 H LYS 29 -16.368 -9.679 3.708 448 HA LYS 29 HA LYS 29 -17.288 -8.816 1.047 449 HB2 LYS 29 2HB LYS 29 -18.729 -9.138 3.649 450 HB3 LYS 29 1HB LYS 29 -19.281 -7.919 2.510 451 HG2 LYS 29 2HG LYS 29 -19.148 -9.955 0.828 452 HG3 LYS 29 1HG LYS 29 -19.377 -10.874 2.317 453 HD2 LYS 29 2HD LYS 29 -21.155 -8.582 2.116 454 HD3 LYS 29 1HD LYS 29 -21.367 -9.728 0.791 455 HE2 LYS 29 2HE LYS 29 -22.678 -10.857 2.205 456 HE3 LYS 29 1HE LYS 29 -21.177 -11.373 2.969 457 HZ1 LYS 29 3HZ LYS 29 -21.814 -10.351 4.807 458 HZ2 LYS 29 1HZ LYS 29 -23.237 -9.811 4.059 459 HZ3 LYS 29 2HZ LYS 29 -21.833 -8.863 3.999 460 H ILE 30 H ILE 30 -16.395 -6.923 0.509 461 HA ILE 30 HA ILE 30 -15.334 -5.113 2.437 462 HB ILE 30 HB ILE 30 -15.815 -4.842 -0.535 463 HG12 ILE 30 2HG1 ILE 30 -13.147 -4.709 0.792 464 HG13 ILE 30 1HG1 ILE 30 -13.933 -6.279 0.667 465 HG21 ILE 30 1HG2 ILE 30 -14.586 -2.838 1.357 466 HG22 ILE 30 2HG2 ILE 30 -14.446 -2.768 -0.399 467 HG23 ILE 30 3HG2 ILE 30 -16.027 -2.622 0.364 468 HD11 ILE 30 3HD1 ILE 30 -12.475 -6.036 -1.178 469 HD12 ILE 30 1HD1 ILE 30 -14.125 -5.890 -1.789 470 HD13 ILE 30 2HD1 ILE 30 -13.131 -4.447 -1.572 471 H ALA 31 H ALA 31 -16.636 -4.075 3.770 472 HA ALA 31 HA ALA 31 -19.171 -2.998 2.770 473 HB1 ALA 31 1HB ALA 31 -19.171 -4.436 4.815 474 HB2 ALA 31 2HB ALA 31 -18.248 -3.175 5.633 475 HB3 ALA 31 3HB ALA 31 -19.876 -2.836 5.049 476 H ASP 32 H ASP 32 -16.345 -1.958 2.440 477 HA ASP 32 HA ASP 32 -16.468 0.597 3.829 478 HB2 ASP 32 2HB ASP 32 -14.359 -0.976 3.147 479 HB3 ASP 32 1HB ASP 32 -14.362 0.165 1.806 480 H ARG 33 H ARG 33 -15.589 2.456 2.234 481 HA ARG 33 HA ARG 33 -17.730 2.728 0.279 482 HB2 ARG 33 2HB ARG 33 -16.898 4.490 2.055 483 HB3 ARG 33 1HB ARG 33 -15.721 4.876 0.805 484 HG2 ARG 33 2HG ARG 33 -18.367 4.702 -0.313 485 HG3 ARG 33 1HG ARG 33 -18.320 5.841 1.037 486 HD2 ARG 33 2HD ARG 33 -16.344 6.914 -0.011 487 HD3 ARG 33 1HD ARG 33 -16.544 5.842 -1.396 488 HE ARG 33 HE ARG 33 -18.982 7.080 -1.081 489 HH11 ARG 33 2HH1 ARG 33 -15.675 8.155 -1.545 490 HH12 ARG 33 1HH1 ARG 33 -16.126 9.545 -2.491 491 HH21 ARG 33 2HH2 ARG 33 -19.573 8.925 -2.282 492 HH22 ARG 33 1HH2 ARG 33 -18.347 9.992 -2.895 493 H PHE 34 H PHE 34 -14.233 3.485 0.276 494 HA PHE 34 HA PHE 34 -14.248 3.017 -2.616 495 HB2 PHE 34 2HB PHE 34 -12.812 4.857 -0.863 496 HB3 PHE 34 1HB PHE 34 -11.748 4.026 -1.998 497 HD1 PHE 34 2HD PHE 34 -15.244 5.252 -2.290 498 HD2 PHE 34 1HD PHE 34 -11.256 5.459 -3.738 499 HE1 PHE 34 2HE PHE 34 -15.992 6.749 -4.082 500 HE2 PHE 34 1HE PHE 34 -11.989 6.962 -5.547 501 HZ PHE 34 HZ PHE 34 -14.358 7.605 -5.724 502 H LEU 35 H LEU 35 -13.221 1.384 -3.518 503 HA LEU 35 HA LEU 35 -11.795 -0.464 -1.752 504 HB2 LEU 35 2HB LEU 35 -12.085 -1.864 -4.039 505 HB3 LEU 35 1HB LEU 35 -13.257 -1.869 -2.736 506 HG LEU 35 HG LEU 35 -13.603 0.223 -4.809 507 HD11 LEU 35 1HD1 LEU 35 -14.939 -2.119 -5.704 508 HD12 LEU 35 2HD1 LEU 35 -13.759 -1.123 -6.557 509 HD13 LEU 35 3HD1 LEU 35 -13.218 -2.472 -5.559 510 HD21 LEU 35 3HD2 LEU 35 -15.938 -0.240 -4.423 511 HD22 LEU 35 1HD2 LEU 35 -15.534 -1.666 -3.467 512 HD23 LEU 35 2HD2 LEU 35 -15.120 -0.060 -2.871 513 H LEU 36 H LEU 36 -9.807 -1.379 -2.411 514 HA LEU 36 HA LEU 36 -8.355 0.242 -4.395 515 HB2 LEU 36 2HB LEU 36 -7.340 -0.821 -1.758 516 HB3 LEU 36 1HB LEU 36 -6.354 -0.007 -2.959 517 HG LEU 36 HG LEU 36 -8.393 1.797 -2.519 518 HD11 LEU 36 1HD1 LEU 36 -7.520 0.929 0.208 519 HD12 LEU 36 2HD1 LEU 36 -8.867 1.966 -0.257 520 HD13 LEU 36 3HD1 LEU 36 -8.955 0.227 -0.538 521 HD21 LEU 36 3HD2 LEU 36 -6.442 2.688 -0.870 522 HD22 LEU 36 1HD2 LEU 36 -5.553 1.508 -1.836 523 HD23 LEU 36 2HD2 LEU 36 -6.406 2.833 -2.629 524 H TYR 37 H TYR 37 -6.584 -0.791 -5.415 525 HA TYR 37 HA TYR 37 -6.940 -3.695 -5.697 526 HB2 TYR 37 2HB TYR 37 -6.659 -1.548 -7.573 527 HB3 TYR 37 1HB TYR 37 -5.282 -2.630 -7.747 528 HD1 TYR 37 1HD TYR 37 -7.030 -5.114 -6.835 529 HD2 TYR 37 2HD TYR 37 -7.458 -2.085 -9.787 530 HE1 TYR 37 1HE TYR 37 -8.406 -6.637 -8.186 531 HE2 TYR 37 2HE TYR 37 -8.835 -3.585 -11.141 532 HH TYR 37 HH TYR 37 -9.080 -6.945 -10.489 533 H ALA 38 H ALA 38 -5.138 -5.046 -5.741 534 HA ALA 38 HA ALA 38 -2.478 -4.003 -5.508 535 HB1 ALA 38 1HB ALA 38 -2.786 -3.730 -3.237 536 HB2 ALA 38 2HB ALA 38 -3.873 -5.113 -3.110 537 HB3 ALA 38 3HB ALA 38 -2.141 -5.369 -3.315 538 H MET 39 H MET 39 -3.310 -7.003 -3.961 539 HA MET 39 HA MET 39 -1.772 -8.457 -5.927 540 HB2 MET 39 2HB MET 39 -2.421 -8.768 -3.180 541 HB3 MET 39 1HB MET 39 -3.013 -10.191 -4.023 542 HG2 MET 39 2HG MET 39 -0.975 -11.021 -4.160 543 HG3 MET 39 1HG MET 39 -0.382 -9.559 -4.942 544 HE1 MET 39 3HE MET 39 -2.014 -8.833 -1.623 545 HE2 MET 39 1HE MET 39 -1.662 -10.521 -1.250 546 HE3 MET 39 2HE MET 39 -0.814 -9.232 -0.393 547 H ASP 40 H ASP 40 -3.782 -7.601 -7.357 548 HA ASP 40 HA ASP 40 -5.460 -8.165 -8.768 549 HB2 ASP 40 2HB ASP 40 -3.746 -10.205 -8.869 550 HB3 ASP 40 1HB ASP 40 -5.147 -11.077 -8.254 551 H SER 41 H SER 41 -6.022 -8.011 -5.827 552 HA SER 41 HA SER 41 -8.700 -9.187 -5.986 553 HB2 SER 41 2HB SER 41 -6.667 -9.470 -3.815 554 HB3 SER 41 1HB SER 41 -8.360 -9.319 -3.345 555 HG SER 41 HG SER 41 -7.032 -11.426 -4.494 556 H TYR 42 H TYR 42 -10.134 -8.109 -4.235 557 HA TYR 42 HA TYR 42 -9.700 -5.221 -4.469 558 HB2 TYR 42 2HB TYR 42 -12.156 -6.845 -3.779 559 HB3 TYR 42 1HB TYR 42 -12.106 -5.087 -3.761 560 HD1 TYR 42 1HD TYR 42 -11.464 -7.975 -6.043 561 HD2 TYR 42 2HD TYR 42 -12.700 -3.923 -5.664 562 HE1 TYR 42 1HE TYR 42 -12.077 -7.946 -8.420 563 HE2 TYR 42 2HE TYR 42 -13.314 -3.884 -8.043 564 HH TYR 42 HH TYR 42 -12.755 -6.712 -10.124 565 H TRP 43 H TRP 43 -9.251 -3.985 -2.740 566 HA TRP 43 HA TRP 43 -9.555 -5.180 -0.070 567 HB2 TRP 43 2HB TRP 43 -7.196 -3.433 -0.669 568 HB3 TRP 43 1HB TRP 43 -7.400 -4.617 0.613 569 HD1 TRP 43 HD TRP 43 -6.852 -4.540 -3.226 570 HE1 TRP 43 1HE TRP 43 -5.497 -6.621 -3.870 571 HE3 TRP 43 3HE TRP 43 -6.581 -6.794 1.353 572 HZ2 TRP 43 2HZ TRP 43 -4.435 -8.911 -2.616 573 HZ3 TRP 43 3HZ TRP 43 -5.370 -8.924 1.543 574 HH2 TRP 43 HH TRP 43 -4.318 -9.959 -0.404 575 H HIS 44 H HIS 44 -9.294 -3.546 1.658 576 HA HIS 44 HA HIS 44 -9.747 -0.759 0.889 577 HB2 HIS 44 2HB HIS 44 -11.369 -0.591 2.907 578 HB3 HIS 44 1HB HIS 44 -11.996 -1.281 1.418 579 HD1 HIS 44 1HD HIS 44 -13.013 -1.861 4.505 580 HD2 HIS 44 2HD HIS 44 -10.776 -4.315 2.003 581 HE1 HIS 44 1HE HIS 44 -13.357 -4.278 5.300 582 H SER 45 H SER 45 -9.939 0.193 3.588 583 HA SER 45 HA SER 45 -7.239 0.336 4.260 584 HB2 SER 45 2HB SER 45 -9.413 0.749 6.291 585 HB3 SER 45 1HB SER 45 -7.897 1.631 6.094 586 HG SER 45 HG SER 45 -8.839 2.922 4.737 587 H ARG 46 H ARG 46 -9.816 -1.649 5.727 588 HA ARG 46 HA ARG 46 -8.037 -2.782 7.672 589 HB2 ARG 46 2HB ARG 46 -10.902 -2.999 6.992 590 HB3 ARG 46 1HB ARG 46 -10.190 -4.427 7.729 591 HG2 ARG 46 2HG ARG 46 -9.321 -2.170 9.201 592 HG3 ARG 46 1HG ARG 46 -11.068 -2.043 8.972 593 HD2 ARG 46 2HD ARG 46 -10.997 -4.589 9.644 594 HD3 ARG 46 1HD ARG 46 -9.477 -4.119 10.402 595 HE ARG 46 HE ARG 46 -10.866 -2.370 11.588 596 HH11 ARG 46 2HH1 ARG 46 -12.249 -5.391 10.465 597 HH12 ARG 46 1HH1 ARG 46 -13.460 -5.440 11.716 598 HH21 ARG 46 2HH2 ARG 46 -12.476 -2.437 13.225 599 HH22 ARG 46 1HH2 ARG 46 -13.584 -3.774 13.276 600 H CYS 47 H CYS 47 -8.544 -3.445 4.413 601 HA CYS 47 HA CYS 47 -7.825 -6.268 4.710 602 HB2 CYS 47 2HB CYS 47 -9.417 -4.783 2.816 603 HB3 CYS 47 1HB CYS 47 -8.149 -5.672 1.983 604 H LEU 48 H LEU 48 -6.851 -3.390 2.846 605 HA LEU 48 HA LEU 48 -4.333 -4.599 2.104 606 HB2 LEU 48 2HB LEU 48 -5.931 -2.378 1.234 607 HB3 LEU 48 1HB LEU 48 -4.308 -1.818 1.579 608 HG LEU 48 HG LEU 48 -5.272 -3.644 -0.560 609 HD11 LEU 48 1HD1 LEU 48 -4.639 -1.893 -1.748 610 HD12 LEU 48 2HD1 LEU 48 -3.987 -1.108 -0.310 611 HD13 LEU 48 3HD1 LEU 48 -2.971 -2.193 -1.257 612 HD21 LEU 48 3HD2 LEU 48 -3.563 -5.072 -0.548 613 HD22 LEU 48 1HD2 LEU 48 -2.393 -3.783 -0.257 614 HD23 LEU 48 2HD2 LEU 48 -3.240 -4.528 1.098 615 H LYS 49 H LYS 49 -3.631 -4.939 4.318 616 HA LYS 49 HA LYS 49 -2.375 -2.514 5.416 617 HB2 LYS 49 2HB LYS 49 -2.596 -4.196 7.586 618 HB3 LYS 49 1HB LYS 49 -3.628 -2.814 7.263 619 HG2 LYS 49 2HG LYS 49 -5.201 -4.421 7.604 620 HG3 LYS 49 1HG LYS 49 -4.989 -4.582 5.859 621 HD2 LYS 49 2HD LYS 49 -3.874 -6.578 6.040 622 HD3 LYS 49 1HD LYS 49 -3.237 -6.199 7.642 623 HE2 LYS 49 2HE LYS 49 -4.959 -7.187 8.660 624 HE3 LYS 49 1HE LYS 49 -6.130 -6.361 7.633 625 HZ1 LYS 49 3HZ LYS 49 -5.408 -9.042 7.562 626 HZ2 LYS 49 1HZ LYS 49 -4.799 -8.353 6.135 627 HZ3 LYS 49 2HZ LYS 49 -6.443 -8.223 6.505 628 H CYS 50 H CYS 50 -0.352 -2.811 6.418 629 HA CYS 50 HA CYS 50 1.378 -4.719 5.329 630 HB2 CYS 50 2HB CYS 50 2.066 -2.550 6.370 631 HB3 CYS 50 1HB CYS 50 1.684 -3.225 7.948 632 H SER 51 H SER 51 1.723 -6.800 5.825 633 HA SER 51 HA SER 51 0.143 -8.019 7.907 634 HB2 SER 51 2HB SER 51 2.255 -9.535 6.437 635 HB3 SER 51 1HB SER 51 0.620 -10.029 6.880 636 HG SER 51 HG SER 51 0.386 -7.993 5.219 637 H SER 52 H SER 52 3.028 -6.425 7.859 638 HA SER 52 HA SER 52 4.319 -8.143 9.835 639 HB2 SER 52 2HB SER 52 5.870 -5.821 9.151 640 HB3 SER 52 1HB SER 52 6.214 -7.525 8.837 641 HG SER 52 HG SER 52 4.710 -5.730 7.223 642 H CYS 53 H CYS 53 3.454 -4.659 9.470 643 HA CYS 53 HA CYS 53 3.551 -4.522 12.413 644 HB2 CYS 53 2HB CYS 53 4.062 -2.170 12.267 645 HB3 CYS 53 1HB CYS 53 5.206 -3.067 11.280 646 H GLN 54 H GLN 54 1.470 -4.694 9.897 647 HA GLN 54 HA GLN 54 -0.755 -4.462 9.675 648 HB2 GLN 54 2HB GLN 54 -0.484 -4.154 12.641 649 HB3 GLN 54 1HB GLN 54 -2.045 -3.925 11.864 650 HG2 GLN 54 2HG GLN 54 -0.888 -6.314 10.860 651 HG3 GLN 54 1HG GLN 54 -0.788 -6.338 12.619 652 HE21 GLN 54 1HE2 GLN 54 -3.287 -4.695 10.772 653 HE22 GLN 54 2HE2 GLN 54 -4.584 -5.711 11.297 654 H ALA 55 H ALA 55 0.845 -2.298 9.005 655 HA ALA 55 HA ALA 55 -0.606 0.082 9.810 656 HB1 ALA 55 1HB ALA 55 0.981 1.313 8.606 657 HB2 ALA 55 2HB ALA 55 1.904 -0.043 9.251 658 HB3 ALA 55 3HB ALA 55 1.383 -0.052 7.566 659 H GLN 56 H GLN 56 -2.424 0.718 8.855 660 HA GLN 56 HA GLN 56 -3.574 -0.639 6.666 661 HB2 GLN 56 2HB GLN 56 -4.223 1.858 8.184 662 HB3 GLN 56 1HB GLN 56 -5.095 1.500 6.698 663 HG2 GLN 56 2HG GLN 56 -6.106 -0.366 7.579 664 HG3 GLN 56 1HG GLN 56 -4.863 -0.591 8.805 665 HE21 GLN 56 1HE2 GLN 56 -6.769 2.286 7.973 666 HE22 GLN 56 2HE2 GLN 56 -7.497 2.452 9.539 667 H LEU 57 H LEU 57 -2.322 -0.626 4.868 668 HA LEU 57 HA LEU 57 -1.104 1.787 3.878 669 HB2 LEU 57 2HB LEU 57 -1.314 -0.986 2.706 670 HB3 LEU 57 1HB LEU 57 -0.398 0.323 1.984 671 HG LEU 57 HG LEU 57 0.185 -0.564 4.789 672 HD11 LEU 57 1HD1 LEU 57 0.767 -2.583 4.057 673 HD12 LEU 57 2HD1 LEU 57 0.568 -2.115 2.366 674 HD13 LEU 57 3HD1 LEU 57 2.085 -1.783 3.201 675 HD21 LEU 57 3HD2 LEU 57 1.150 1.464 3.184 676 HD22 LEU 57 1HD2 LEU 57 1.924 0.821 4.634 677 HD23 LEU 57 2HD2 LEU 57 2.376 0.202 3.045 678 H GLY 58 H GLY 58 -4.074 0.123 3.446 679 HA2 GLY 58 1HA GLY 58 -4.699 1.116 0.845 680 HA3 GLY 58 2HA GLY 58 -5.834 0.411 1.987 681 H ASP 59 H ASP 59 -4.328 2.813 3.636 682 HA ASP 59 HA ASP 59 -6.559 4.628 3.122 683 HB2 ASP 59 2HB ASP 59 -4.786 4.117 5.463 684 HB3 ASP 59 1HB ASP 59 -5.455 5.734 5.276 685 H ILE 60 H ILE 60 -3.666 4.228 1.930 686 HA ILE 60 HA ILE 60 -3.369 7.037 1.264 687 HB ILE 60 HB ILE 60 -0.713 6.209 1.654 688 HG12 ILE 60 2HG1 ILE 60 -1.385 6.141 4.395 689 HG13 ILE 60 1HG1 ILE 60 -2.429 4.960 3.611 690 HG21 ILE 60 1HG2 ILE 60 -0.722 8.365 2.157 691 HG22 ILE 60 2HG2 ILE 60 -2.470 8.348 2.395 692 HG23 ILE 60 3HG2 ILE 60 -1.395 7.957 3.736 693 HD11 ILE 60 3HD1 ILE 60 -0.722 3.561 3.828 694 HD12 ILE 60 1HD1 ILE 60 0.021 4.446 2.494 695 HD13 ILE 60 2HD1 ILE 60 0.416 4.866 4.162 696 H GLY 61 H GLY 61 -2.668 7.309 -0.781 697 HA2 GLY 61 1HA GLY 61 -2.370 4.999 -2.466 698 HA3 GLY 61 2HA GLY 61 -2.264 6.678 -2.972 699 H THR 62 H THR 62 -0.380 4.761 -0.647 700 HA THR 62 HA THR 62 2.071 5.698 -1.958 701 HB THR 62 HB THR 62 2.155 4.183 0.606 702 HG1 THR 62 1HG THR 62 1.178 6.854 0.315 703 HG21 THR 62 3HG2 THR 62 4.125 5.210 -0.710 704 HG22 THR 62 1HG2 THR 62 4.052 5.475 1.032 705 HG23 THR 62 2HG2 THR 62 3.548 6.752 -0.076 706 H SER 63 H SER 63 3.763 4.218 -2.435 707 HA SER 63 HA SER 63 2.840 1.809 -3.608 708 HB2 SER 63 2HB SER 63 5.617 1.670 -3.543 709 HB3 SER 63 1HB SER 63 4.641 2.368 -4.836 710 HG SER 63 HG SER 63 5.782 4.092 -4.329 711 H SER 64 H SER 64 2.136 0.256 -2.209 712 HA SER 64 HA SER 64 3.681 -0.534 0.087 713 HB2 SER 64 2HB SER 64 1.741 -2.493 -0.840 714 HB3 SER 64 1HB SER 64 1.768 -1.579 0.668 715 HG SER 64 HG SER 64 0.859 0.193 -0.521 716 H TYR 65 H TYR 65 4.689 -2.662 0.302 717 HA TYR 65 HA TYR 65 5.761 -3.561 -2.295 718 HB2 TYR 65 2HB TYR 65 7.123 -3.330 0.392 719 HB3 TYR 65 1HB TYR 65 7.813 -4.214 -0.966 720 HD1 TYR 65 2HD TYR 65 6.957 -0.901 0.341 721 HD2 TYR 65 1HD TYR 65 8.695 -3.042 -2.897 722 HE1 TYR 65 2HE TYR 65 7.908 1.191 -0.522 723 HE2 TYR 65 1HE TYR 65 9.648 -0.951 -3.773 724 HH TYR 65 HH TYR 65 10.007 1.777 -2.055 725 H THR 66 H THR 66 6.448 -5.798 -2.408 726 HA THR 66 HA THR 66 5.380 -7.593 -0.396 727 HB THR 66 HB THR 66 3.492 -7.116 -2.001 728 HG1 THR 66 1HG THR 66 3.412 -9.018 -0.833 729 HG21 THR 66 3HG2 THR 66 3.946 -8.785 -4.106 730 HG22 THR 66 1HG2 THR 66 5.524 -8.025 -3.905 731 HG23 THR 66 2HG2 THR 66 4.093 -7.027 -4.163 732 H LYS 67 H LYS 67 5.816 -9.924 -1.097 733 HA LYS 67 HA LYS 67 7.826 -10.446 -3.024 734 HB2 LYS 67 2HB LYS 67 9.044 -9.296 -1.019 735 HB3 LYS 67 1HB LYS 67 8.835 -10.851 -0.224 736 HG2 LYS 67 2HG LYS 67 10.153 -11.965 -1.853 737 HG3 LYS 67 1HG LYS 67 10.146 -10.557 -2.916 738 HD2 LYS 67 2HD LYS 67 11.455 -9.306 -1.280 739 HD3 LYS 67 1HD LYS 67 11.443 -10.700 -0.197 740 HE2 LYS 67 2HE LYS 67 13.218 -11.548 -1.219 741 HE3 LYS 67 1HE LYS 67 12.366 -11.537 -2.761 742 HZ1 LYS 67 3HZ LYS 67 13.364 -9.630 -3.403 743 HZ2 LYS 67 1HZ LYS 67 14.572 -10.162 -2.340 744 HZ3 LYS 67 2HZ LYS 67 13.457 -8.991 -1.836 745 H SER 68 H SER 68 7.105 -11.700 0.228 746 HA SER 68 HA SER 68 6.804 -14.374 -0.861 747 HB2 SER 68 2HB SER 68 6.268 -14.462 1.873 748 HB3 SER 68 1HB SER 68 7.824 -14.791 1.105 749 HG SER 68 HG SER 68 8.390 -13.177 2.366 750 H GLY 69 H GLY 69 4.782 -12.436 -1.575 751 HA2 GLY 69 1HA GLY 69 2.505 -12.571 -1.936 752 HA3 GLY 69 2HA GLY 69 2.468 -13.994 -0.911 753 H MET 70 H MET 70 3.979 -11.605 0.792 754 HA MET 70 HA MET 70 1.503 -10.953 2.229 755 HB2 MET 70 2HB MET 70 4.325 -10.461 3.199 756 HB3 MET 70 1HB MET 70 2.846 -10.484 4.146 757 HG2 MET 70 2HG MET 70 2.640 -12.919 3.621 758 HG3 MET 70 1HG MET 70 4.243 -12.831 2.891 759 HE1 MET 70 3HE MET 70 6.286 -13.205 4.004 760 HE2 MET 70 1HE MET 70 6.344 -11.538 4.578 761 HE3 MET 70 2HE MET 70 6.674 -12.863 5.691 762 H ILE 71 H ILE 71 1.061 -8.804 2.857 763 HA ILE 71 HA ILE 71 2.172 -6.791 1.057 764 HB ILE 71 HB ILE 71 0.137 -6.064 3.106 765 HG12 ILE 71 2HG1 ILE 71 -1.497 -6.847 1.088 766 HG13 ILE 71 1HG1 ILE 71 -0.280 -8.119 1.025 767 HG21 ILE 71 1HG2 ILE 71 -0.549 -5.195 0.529 768 HG22 ILE 71 2HG2 ILE 71 0.130 -4.248 1.850 769 HG23 ILE 71 3HG2 ILE 71 1.199 -5.011 0.674 770 HD11 ILE 71 3HD1 ILE 71 -1.972 -8.905 2.449 771 HD12 ILE 71 1HD1 ILE 71 -0.651 -8.405 3.509 772 HD13 ILE 71 2HD1 ILE 71 -2.068 -7.370 3.313 773 H LEU 72 H LEU 72 3.730 -5.437 1.706 774 HA LEU 72 HA LEU 72 4.127 -5.092 4.600 775 HB2 LEU 72 2HB LEU 72 6.032 -6.090 2.549 776 HB3 LEU 72 1HB LEU 72 6.669 -5.017 3.783 777 HG LEU 72 HG LEU 72 5.452 -6.684 5.418 778 HD11 LEU 72 1HD1 LEU 72 4.507 -7.931 3.392 779 HD12 LEU 72 2HD1 LEU 72 6.130 -8.603 3.223 780 HD13 LEU 72 3HD1 LEU 72 5.212 -8.882 4.704 781 HD21 LEU 72 3HD2 LEU 72 7.700 -8.184 4.783 782 HD22 LEU 72 1HD2 LEU 72 8.099 -6.546 4.262 783 HD23 LEU 72 2HD2 LEU 72 7.614 -6.845 5.931 784 H CYS 73 H CYS 73 4.820 -3.090 5.263 785 HA CYS 73 HA CYS 73 4.434 -0.931 3.444 786 HB2 CYS 73 2HB CYS 73 4.929 0.518 5.334 787 HB3 CYS 73 1HB CYS 73 3.842 -0.768 5.836 788 H ARG 74 H ARG 74 6.139 0.892 3.426 789 HA ARG 74 HA ARG 74 8.297 -0.019 1.899 790 HB2 ARG 74 2HB ARG 74 8.145 2.632 3.336 791 HB3 ARG 74 1HB ARG 74 9.089 2.256 1.902 792 HG2 ARG 74 2HG ARG 74 7.177 2.142 0.541 793 HG3 ARG 74 1HG ARG 74 6.092 2.072 1.932 794 HD2 ARG 74 2HD ARG 74 5.938 4.275 1.065 795 HD3 ARG 74 1HD ARG 74 6.903 4.380 2.537 796 HE ARG 74 HE ARG 74 8.010 4.448 -0.203 797 HH11 ARG 74 2HH1 ARG 74 8.181 5.293 3.205 798 HH12 ARG 74 1HH1 ARG 74 9.553 6.340 2.996 799 HH21 ARG 74 2HH2 ARG 74 9.834 5.827 -0.454 800 HH22 ARG 74 1HH2 ARG 74 10.504 6.628 0.945 801 H ASN 75 H ASN 75 8.156 1.055 5.268 802 HA ASN 75 HA ASN 75 10.935 0.836 5.768 803 HB2 ASN 75 2HB ASN 75 9.363 2.181 7.152 804 HB3 ASN 75 1HB ASN 75 8.658 0.685 7.756 805 HD21 ASN 75 1HD2 ASN 75 11.443 2.756 7.776 806 HD22 ASN 75 2HD2 ASN 75 12.195 2.066 9.178 807 H ASP 76 H ASP 76 8.216 -1.359 6.193 808 HA ASP 76 HA ASP 76 9.640 -3.230 7.781 809 HB2 ASP 76 2HB ASP 76 6.964 -2.917 6.802 810 HB3 ASP 76 1HB ASP 76 7.507 -4.573 6.538 811 H TYR 77 H TYR 77 8.801 -3.134 4.337 812 HA TYR 77 HA TYR 77 9.612 -5.735 3.737 813 HB2 TYR 77 2HB TYR 77 8.324 -4.510 2.123 814 HB3 TYR 77 1HB TYR 77 9.583 -3.284 1.975 815 HD1 TYR 77 1HD TYR 77 9.594 -7.030 1.887 816 HD2 TYR 77 2HD TYR 77 10.613 -3.398 -0.084 817 HE1 TYR 77 1HE TYR 77 10.678 -8.313 0.089 818 HE2 TYR 77 2HE TYR 77 11.690 -4.670 -1.889 819 HH TYR 77 HH TYR 77 12.840 -7.193 -1.900 820 H ILE 78 H ILE 78 11.499 -2.727 3.710 821 HA ILE 78 HA ILE 78 13.844 -4.039 2.705 822 HB ILE 78 HB ILE 78 13.819 -1.379 4.123 823 HG12 ILE 78 2HG1 ILE 78 13.344 -1.821 1.168 824 HG13 ILE 78 1HG1 ILE 78 12.045 -1.537 2.322 825 HG21 ILE 78 1HG2 ILE 78 15.635 -2.753 2.174 826 HG22 ILE 78 2HG2 ILE 78 15.636 -0.997 2.334 827 HG23 ILE 78 3HG2 ILE 78 16.025 -2.008 3.724 828 HD11 ILE 78 3HD1 ILE 78 13.638 0.558 2.874 829 HD12 ILE 78 1HD1 ILE 78 13.983 0.337 1.160 830 HD13 ILE 78 2HD1 ILE 78 12.324 0.596 1.696 831 H ARG 79 H ARG 79 12.551 -3.271 5.850 832 HA ARG 79 HA ARG 79 14.930 -3.857 7.322 833 HB2 ARG 79 2HB ARG 79 13.006 -2.428 8.117 834 HB3 ARG 79 1HB ARG 79 12.087 -3.909 8.335 835 HG2 ARG 79 2HG ARG 79 14.137 -4.616 9.796 836 HG3 ARG 79 1HG ARG 79 14.410 -2.875 9.883 837 HD2 ARG 79 2HD ARG 79 13.001 -3.924 11.725 838 HD3 ARG 79 1HD ARG 79 12.349 -2.491 10.933 839 HE ARG 79 HE ARG 79 10.728 -3.825 9.884 840 HH11 ARG 79 2HH1 ARG 79 12.821 -5.708 11.978 841 HH12 ARG 79 1HH1 ARG 79 11.780 -7.105 11.955 842 HH21 ARG 79 2HH2 ARG 79 9.354 -5.656 9.884 843 HH22 ARG 79 1HH2 ARG 79 9.825 -7.067 10.799 844 H LEU 80 H LEU 80 12.349 -5.726 5.990 845 HA LEU 80 HA LEU 80 13.046 -8.067 7.584 846 HB2 LEU 80 2HB LEU 80 10.670 -7.109 6.454 847 HB3 LEU 80 1HB LEU 80 11.079 -8.538 5.520 848 HG LEU 80 HG LEU 80 11.275 -8.866 8.445 849 HD11 LEU 80 1HD1 LEU 80 8.637 -8.340 7.091 850 HD12 LEU 80 2HD1 LEU 80 8.804 -9.149 8.648 851 HD13 LEU 80 3HD1 LEU 80 9.336 -7.478 8.462 852 HD21 LEU 80 3HD2 LEU 80 10.264 -10.422 6.094 853 HD22 LEU 80 1HD2 LEU 80 11.574 -10.811 7.208 854 HD23 LEU 80 2HD2 LEU 80 9.897 -10.923 7.744 855 H PHE 81 H PHE 81 12.557 -7.370 4.109 856 HA PHE 81 HA PHE 81 14.329 -9.649 3.522 857 HB2 PHE 81 2HB PHE 81 12.240 -8.369 1.748 858 HB3 PHE 81 1HB PHE 81 13.218 -9.772 1.342 859 HD1 PHE 81 2HD PHE 81 12.832 -11.923 2.479 860 HD2 PHE 81 1HD PHE 81 10.312 -8.555 3.124 861 HE1 PHE 81 2HE PHE 81 11.111 -13.400 3.428 862 HE2 PHE 81 1HE PHE 81 8.584 -10.030 4.072 863 HZ PHE 81 HZ PHE 81 8.986 -12.454 4.228 864 H GLY 82 H GLY 82 13.343 -7.098 1.322 865 HA2 GLY 82 1HA GLY 82 14.783 -5.271 0.651 866 HA3 GLY 82 2HA GLY 82 16.163 -6.274 1.091 Start of MODEL 12 1 H SER 641 1H SER 641 20.441 -16.800 -15.487 2 HA SER 641 HA SER 641 17.793 -18.082 -15.676 3 HB2 SER 641 2HB SER 641 19.667 -20.058 -15.562 4 HB3 SER 641 1HB SER 641 19.060 -19.364 -17.064 5 HG SER 641 HG SER 641 20.859 -18.125 -17.246 6 H LEU 642 H LEU 642 20.743 -17.751 -13.751 7 HA LEU 642 HA LEU 642 21.270 -18.219 -11.609 8 HB2 LEU 642 2HB LEU 642 18.498 -17.297 -11.521 9 HB3 LEU 642 1HB LEU 642 18.934 -18.307 -10.155 10 HG LEU 642 HG LEU 642 20.212 -15.709 -10.992 11 HD11 LEU 642 1HD1 LEU 642 18.074 -16.258 -9.330 12 HD12 LEU 642 2HD1 LEU 642 19.433 -16.059 -8.226 13 HD13 LEU 642 3HD1 LEU 642 19.025 -14.773 -9.361 14 HD21 LEU 642 3HD2 LEU 642 21.127 -17.723 -8.947 15 HD22 LEU 642 1HD2 LEU 642 22.015 -17.154 -10.359 16 HD23 LEU 642 2HD2 LEU 642 21.697 -16.055 -9.018 17 H GLN 643 H GLN 643 20.722 -20.384 -13.404 18 HA GLN 643 HA GLN 643 19.748 -22.474 -11.586 19 HB2 GLN 643 2HB GLN 643 19.999 -22.233 -14.548 20 HB3 GLN 643 1HB GLN 643 20.168 -23.835 -13.840 21 HG2 GLN 643 2HG GLN 643 17.982 -24.020 -13.489 22 HG3 GLN 643 1HG GLN 643 17.873 -22.403 -12.793 23 HE21 GLN 643 1HE2 GLN 643 17.133 -24.352 -15.423 24 HE22 GLN 643 2HE2 GLN 643 16.600 -23.112 -16.511 25 H ASN 644 H ASN 644 22.483 -20.931 -12.538 26 HA ASN 644 HA ASN 644 24.193 -23.191 -11.729 27 HB2 ASN 644 2HB ASN 644 24.503 -22.086 -14.061 28 HB3 ASN 644 1HB ASN 644 25.165 -20.724 -13.166 29 HD21 ASN 644 1HD2 ASN 644 27.159 -20.984 -14.125 30 HD22 ASN 644 2HD2 ASN 644 28.239 -22.267 -13.690 31 H ASN 645 H ASN 645 26.058 -22.517 -10.333 32 HA ASN 645 HA ASN 645 25.338 -20.136 -8.749 33 HB2 ASN 645 2HB ASN 645 25.378 -22.735 -7.837 34 HB3 ASN 645 1HB ASN 645 26.957 -22.130 -7.340 35 HD21 ASN 645 1HD2 ASN 645 23.497 -21.469 -7.210 36 HD22 ASN 645 2HD2 ASN 645 23.543 -20.577 -5.723 37 H GLN 646 H GLN 646 27.018 -20.111 -11.011 38 HA GLN 646 HA GLN 646 29.595 -19.435 -9.750 39 HB2 GLN 646 2HB GLN 646 28.949 -20.813 -12.278 40 HB3 GLN 646 1HB GLN 646 30.195 -19.578 -12.403 41 HG2 GLN 646 2HG GLN 646 31.494 -21.369 -11.913 42 HG3 GLN 646 1HG GLN 646 31.146 -20.814 -10.277 43 HE21 GLN 646 1HE2 GLN 646 30.138 -23.088 -12.769 44 HE22 GLN 646 2HE2 GLN 646 29.519 -24.285 -11.676 45 H ASP 647 H ASP 647 26.903 -18.378 -11.604 46 HA ASP 647 HA ASP 647 28.167 -15.953 -12.538 47 HB2 ASP 647 2HB ASP 647 25.744 -15.417 -13.244 48 HB3 ASP 647 1HB ASP 647 26.558 -16.749 -14.051 49 H VAL 648 H VAL 648 26.853 -16.982 -9.663 50 HA VAL 648 HA VAL 648 25.739 -14.455 -8.821 51 HB VAL 648 HB VAL 648 26.461 -16.413 -6.730 52 HG11 VAL 648 1HG1 VAL 648 23.774 -15.234 -7.379 53 HG12 VAL 648 2HG1 VAL 648 24.370 -15.822 -5.828 54 HG13 VAL 648 3HG1 VAL 648 25.018 -14.332 -6.514 55 HG21 VAL 648 3HG2 VAL 648 24.062 -17.390 -7.918 56 HG22 VAL 648 1HG2 VAL 648 25.339 -17.400 -9.135 57 HG23 VAL 648 2HG2 VAL 648 25.569 -18.249 -7.605 58 H SER 649 H SER 649 27.348 -12.929 -8.937 59 HA SER 649 HA SER 649 29.585 -13.288 -7.063 60 HB2 SER 649 2HB SER 649 30.014 -11.425 -9.303 61 HB3 SER 649 1HB SER 649 31.105 -12.631 -8.618 62 HG SER 649 HG SER 649 29.130 -13.934 -9.795 63 H PHE 650 H PHE 650 30.311 -11.379 -6.000 64 HA PHE 650 HA PHE 650 30.101 -9.403 -4.907 65 HB2 PHE 650 2HB PHE 650 29.362 -8.830 -7.597 66 HB3 PHE 650 1HB PHE 650 28.282 -7.932 -6.538 67 HD1 PHE 650 2HD PHE 650 31.924 -8.752 -6.703 68 HD2 PHE 650 1HD PHE 650 28.935 -5.798 -6.023 69 HE1 PHE 650 2HE PHE 650 33.681 -7.068 -6.352 70 HE2 PHE 650 1HE PHE 650 30.690 -4.104 -5.667 71 HZ PHE 650 HZ PHE 650 33.066 -4.742 -5.834 72 H GLU 651 H GLU 651 28.233 -11.557 -4.434 73 HA GLU 651 HA GLU 651 25.643 -10.388 -3.995 74 HB2 GLU 651 2HB GLU 651 24.934 -12.534 -3.454 75 HB3 GLU 651 1HB GLU 651 26.247 -12.852 -4.575 76 HG2 GLU 651 2HG GLU 651 26.583 -12.887 -1.589 77 HG3 GLU 651 1HG GLU 651 26.164 -14.309 -2.539 78 H ASN 652 H ASN 652 28.575 -10.565 -2.282 79 HA ASN 652 HA ASN 652 27.580 -10.672 0.370 80 HB2 ASN 652 2HB ASN 652 29.995 -11.060 -0.508 81 HB3 ASN 652 1HB ASN 652 30.158 -9.314 -0.355 82 HD21 ASN 652 1HD2 ASN 652 29.326 -12.241 1.422 83 HD22 ASN 652 2HD2 ASN 652 29.848 -11.654 2.974 84 H ILE 653 H ILE 653 28.406 -8.021 -1.803 85 HA ILE 653 HA ILE 653 27.430 -6.110 0.204 86 HB ILE 653 HB ILE 653 28.771 -5.263 -2.339 87 HG12 ILE 653 2HG1 ILE 653 30.637 -5.431 -0.133 88 HG13 ILE 653 1HG1 ILE 653 29.989 -7.021 -0.521 89 HG21 ILE 653 1HG2 ILE 653 28.882 -4.097 0.436 90 HG22 ILE 653 2HG2 ILE 653 29.404 -3.343 -1.069 91 HG23 ILE 653 3HG2 ILE 653 27.690 -3.639 -0.780 92 HD11 ILE 653 3HD1 ILE 653 31.857 -6.900 -1.858 93 HD12 ILE 653 1HD1 ILE 653 30.580 -6.387 -2.962 94 HD13 ILE 653 2HD1 ILE 653 31.627 -5.187 -2.205 95 H GLN 654 H GLN 654 25.248 -6.096 -0.059 96 HA GLN 654 HA GLN 654 24.070 -6.190 -2.703 97 HB2 GLN 654 2HB GLN 654 22.958 -6.103 0.091 98 HB3 GLN 654 1HB GLN 654 21.915 -5.899 -1.311 99 HG2 GLN 654 2HG GLN 654 23.410 -8.159 -1.898 100 HG3 GLN 654 1HG GLN 654 23.046 -8.303 -0.178 101 HE21 GLN 654 1HE2 GLN 654 20.541 -6.750 -0.512 102 HE22 GLN 654 2HE2 GLN 654 19.411 -7.851 -1.224 103 H TRP 655 H TRP 655 25.550 -4.019 -2.806 104 HA TRP 655 HA TRP 655 23.845 -1.739 -2.128 105 HB2 TRP 655 2HB TRP 655 25.742 -0.334 -2.377 106 HB3 TRP 655 1HB TRP 655 26.293 -1.745 -1.486 107 HD1 TRP 655 HD TRP 655 27.397 -3.721 -3.341 108 HE1 TRP 655 1HE TRP 655 29.185 -3.238 -5.124 109 HE3 TRP 655 3HE TRP 655 26.763 1.334 -3.777 110 HZ2 TRP 655 2HZ TRP 655 30.202 -1.007 -6.526 111 HZ3 TRP 655 3HZ TRP 655 28.185 2.569 -5.359 112 HH2 TRP 655 HH TRP 655 29.871 1.418 -6.706 113 H SER 656 H SER 656 22.786 -0.603 -3.610 114 HA SER 656 HA SER 656 22.860 -1.558 -6.351 115 HB2 SER 656 2HB SER 656 21.084 0.701 -5.639 116 HB3 SER 656 1HB SER 656 20.725 -0.782 -6.524 117 HG SER 656 HG SER 656 20.821 -0.358 -3.727 118 H ILE 657 H ILE 657 24.274 -0.696 -7.706 119 HA ILE 657 HA ILE 657 25.601 1.770 -7.207 120 HB ILE 657 HB ILE 657 25.631 0.465 -9.901 121 HG12 ILE 657 2HG1 ILE 657 27.697 -0.724 -8.448 122 HG13 ILE 657 1HG1 ILE 657 26.295 -0.833 -7.388 123 HG21 ILE 657 1HG2 ILE 657 26.956 2.399 -9.789 124 HG22 ILE 657 2HG2 ILE 657 27.605 1.965 -8.207 125 HG23 ILE 657 3HG2 ILE 657 28.087 1.055 -9.638 126 HD11 ILE 657 3HD1 ILE 657 25.043 -1.904 -9.217 127 HD12 ILE 657 1HD1 ILE 657 26.500 -1.858 -10.208 128 HD13 ILE 657 2HD1 ILE 657 26.469 -2.819 -8.729 129 H ASP 658 H ASP 658 22.700 0.940 -8.642 130 HA ASP 658 HA ASP 658 22.348 2.942 -10.577 131 HB2 ASP 658 2HB ASP 658 20.088 1.978 -8.846 132 HB3 ASP 658 1HB ASP 658 20.071 2.378 -10.558 133 HA PRO 659 HA PRO 659 22.151 6.501 -7.972 134 HB2 PRO 659 2HB PRO 659 21.327 8.312 -9.771 135 HB3 PRO 659 1HB PRO 659 22.928 7.571 -9.870 136 HG2 PRO 659 2HG PRO 659 20.441 6.917 -11.397 137 HG3 PRO 659 1HG PRO 659 22.111 7.040 -11.980 138 HD2 PRO 659 2HD PRO 659 20.860 4.673 -11.390 139 HD3 PRO 659 1HD PRO 659 22.617 4.906 -11.330 140 H GLY 660 H GLY 660 20.079 4.996 -7.227 141 HA2 GLY 660 1HA GLY 660 18.138 5.429 -6.005 142 HA3 GLY 660 2HA GLY 660 18.002 6.983 -6.813 143 H ALA 661 H ALA 661 17.889 3.524 -7.656 144 HA ALA 661 HA ALA 661 15.842 4.059 -9.659 145 HB1 ALA 661 1HB ALA 661 16.006 1.467 -9.853 146 HB2 ALA 661 2HB ALA 661 17.322 2.468 -10.463 147 HB3 ALA 661 3HB ALA 661 17.474 1.668 -8.897 148 H ASP 662 H ASP 662 16.133 3.143 -6.405 149 HA ASP 662 HA ASP 662 14.653 2.663 -4.764 150 HB2 ASP 662 2HB ASP 662 13.248 4.319 -6.563 151 HB3 ASP 662 1HB ASP 662 12.138 3.025 -6.121 152 H LEU 663 H LEU 663 11.904 1.619 -5.275 153 HA LEU 663 HA LEU 663 12.713 -1.126 -5.982 154 HB2 LEU 663 2HB LEU 663 11.327 -0.022 -3.687 155 HB3 LEU 663 1HB LEU 663 10.356 -1.249 -4.476 156 HG LEU 663 HG LEU 663 12.230 -2.847 -4.254 157 HD11 LEU 663 1HD1 LEU 663 13.838 -1.795 -2.293 158 HD12 LEU 663 2HD1 LEU 663 14.269 -1.959 -3.996 159 HD13 LEU 663 3HD1 LEU 663 13.623 -0.431 -3.391 160 HD21 LEU 663 3HD2 LEU 663 12.144 -2.895 -1.680 161 HD22 LEU 663 1HD2 LEU 663 11.057 -1.516 -1.843 162 HD23 LEU 663 2HD2 LEU 663 10.636 -3.062 -2.579 163 H SER 664 H SER 664 12.127 0.074 -8.141 164 HA SER 664 HA SER 664 9.514 0.800 -8.760 165 HB2 SER 664 2HB SER 664 10.744 -0.182 -11.113 166 HB3 SER 664 1HB SER 664 10.623 1.492 -10.568 167 HG SER 664 HG SER 664 12.635 1.431 -9.886 168 H GLN 665 H GLN 665 11.136 -2.338 -9.106 169 HA GLN 665 HA GLN 665 8.930 -3.503 -10.537 170 HB2 GLN 665 2HB GLN 665 11.266 -4.908 -9.237 171 HB3 GLN 665 1HB GLN 665 10.205 -5.558 -10.479 172 HG2 GLN 665 2HG GLN 665 11.961 -4.960 -11.778 173 HG3 GLN 665 1HG GLN 665 11.066 -3.441 -11.808 174 HE21 GLN 665 1HE2 GLN 665 13.612 -3.237 -12.411 175 HE22 GLN 665 2HE2 GLN 665 14.545 -2.575 -11.108 176 H TYR 666 H TYR 666 9.804 -3.170 -7.219 177 HA TYR 666 HA TYR 666 8.049 -5.346 -6.383 178 HB2 TYR 666 2HB TYR 666 9.940 -3.534 -4.879 179 HB3 TYR 666 1HB TYR 666 8.835 -4.636 -4.063 180 HD1 TYR 666 1HD TYR 666 8.940 -7.092 -5.451 181 HD2 TYR 666 2HD TYR 666 12.097 -4.318 -4.805 182 HE1 TYR 666 1HE TYR 666 10.574 -8.915 -5.668 183 HE2 TYR 666 2HE TYR 666 13.743 -6.132 -5.020 184 HH TYR 666 HH TYR 666 13.136 -9.033 -6.355 185 H LYS 667 H LYS 667 7.708 -2.196 -7.233 186 HA LYS 667 HA LYS 667 6.082 -1.113 -5.203 187 HB2 LYS 667 2HB LYS 667 6.679 -0.489 -8.025 188 HB3 LYS 667 1HB LYS 667 5.188 0.172 -7.385 189 HG2 LYS 667 2HG LYS 667 6.429 1.264 -5.596 190 HG3 LYS 667 1HG LYS 667 7.937 0.603 -6.239 191 HD2 LYS 667 2HD LYS 667 7.804 2.814 -7.063 192 HD3 LYS 667 1HD LYS 667 7.355 1.772 -8.414 193 HE2 LYS 667 2HE LYS 667 5.608 3.179 -8.596 194 HE3 LYS 667 1HE LYS 667 4.933 2.200 -7.297 195 HZ1 LYS 667 3HZ LYS 667 6.545 4.141 -6.119 196 HZ2 LYS 667 1HZ LYS 667 4.855 4.007 -6.053 197 HZ3 LYS 667 2HZ LYS 667 5.585 4.936 -7.271 198 H MET 668 H MET 668 4.126 -1.694 -4.610 199 HA MET 668 HA MET 668 2.396 -3.092 -6.511 200 HB2 MET 668 2HB MET 668 2.867 -3.844 -4.084 201 HB3 MET 668 1HB MET 668 1.758 -2.561 -3.618 202 HG2 MET 668 2HG MET 668 -0.065 -3.656 -4.403 203 HG3 MET 668 1HG MET 668 0.835 -4.464 -5.687 204 HE1 MET 668 3HE MET 668 1.155 -5.368 -1.289 205 HE2 MET 668 1HE MET 668 2.725 -5.477 -2.085 206 HE3 MET 668 2HE MET 668 1.782 -3.990 -2.193 207 H ASP 669 H ASP 669 1.914 -1.306 -7.806 208 HA ASP 669 HA ASP 669 0.910 1.147 -6.791 209 HB2 ASP 669 2HB ASP 669 1.941 0.719 -9.097 210 HB3 ASP 669 1HB ASP 669 0.368 0.072 -9.557 211 H VAL 670 H VAL 670 -0.966 1.413 -5.816 212 HA VAL 670 HA VAL 670 -2.984 -0.638 -5.998 213 HB VAL 670 HB VAL 670 -3.103 1.902 -4.383 214 HG11 VAL 670 1HG1 VAL 670 -4.709 0.783 -3.047 215 HG12 VAL 670 2HG1 VAL 670 -5.191 0.541 -4.727 216 HG13 VAL 670 3HG1 VAL 670 -4.394 -0.760 -3.842 217 HG21 VAL 670 3HG2 VAL 670 -2.385 -0.445 -2.867 218 HG22 VAL 670 1HG2 VAL 670 -1.194 -0.120 -4.125 219 HG23 VAL 670 2HG2 VAL 670 -1.589 1.129 -2.944 220 H THR 671 H THR 671 -4.435 -0.589 -7.561 221 HA THR 671 HA THR 671 -5.383 1.924 -8.667 222 HB THR 671 HB THR 671 -6.717 -0.627 -9.407 223 HG1 THR 671 1HG THR 671 -4.021 -0.044 -10.179 224 HG21 THR 671 3HG2 THR 671 -6.875 0.346 -11.506 225 HG22 THR 671 1HG2 THR 671 -5.453 1.361 -11.258 226 HG23 THR 671 2HG2 THR 671 -6.964 1.743 -10.433 227 H VAL 672 H VAL 672 -7.009 3.000 -7.774 228 HA VAL 672 HA VAL 672 -8.746 1.616 -5.867 229 HB VAL 672 HB VAL 672 -9.090 4.526 -6.292 230 HG11 VAL 672 1HG1 VAL 672 -9.829 2.655 -4.398 231 HG12 VAL 672 2HG1 VAL 672 -8.518 3.541 -3.617 232 HG13 VAL 672 3HG1 VAL 672 -9.933 4.406 -4.224 233 HG21 VAL 672 3HG2 VAL 672 -7.108 5.097 -4.962 234 HG22 VAL 672 1HG2 VAL 672 -6.597 3.410 -5.012 235 HG23 VAL 672 2HG2 VAL 672 -6.666 4.355 -6.498 236 H ILE 673 H ILE 673 -10.695 0.969 -6.415 237 HA ILE 673 HA ILE 673 -11.736 1.671 -9.028 238 HB ILE 673 HB ILE 673 -12.619 -0.331 -6.951 239 HG12 ILE 673 2HG1 ILE 673 -12.174 -1.555 -9.427 240 HG13 ILE 673 1HG1 ILE 673 -10.877 -0.371 -9.275 241 HG21 ILE 673 1HG2 ILE 673 -14.488 0.829 -8.352 242 HG22 ILE 673 2HG2 ILE 673 -13.881 -0.196 -9.654 243 HG23 ILE 673 3HG2 ILE 673 -14.483 -0.925 -8.166 244 HD11 ILE 673 3HD1 ILE 673 -11.527 -2.288 -7.066 245 HD12 ILE 673 1HD1 ILE 673 -10.448 -2.718 -8.393 246 HD13 ILE 673 2HD1 ILE 673 -10.047 -1.368 -7.332 247 H ASP 674 H ASP 674 -13.264 3.091 -9.427 248 HA ASP 674 HA ASP 674 -14.500 4.628 -7.357 249 HB2 ASP 674 2HB ASP 674 -13.968 5.676 -9.472 250 HB3 ASP 674 1HB ASP 674 -14.966 4.517 -10.344 251 H THR 675 H THR 675 -16.105 3.873 -6.143 252 HA THR 675 HA THR 675 -17.865 1.814 -7.207 253 HB THR 675 HB THR 675 -18.541 2.422 -4.526 254 HG1 THR 675 1HG THR 675 -16.372 2.033 -3.625 255 HG21 THR 675 3HG2 THR 675 -18.434 0.190 -4.377 256 HG22 THR 675 1HG2 THR 675 -16.747 0.157 -4.890 257 HG23 THR 675 2HG2 THR 675 -18.033 0.207 -6.095 258 H LYS 676 H LYS 676 -19.084 3.238 -8.608 259 HA LYS 676 HA LYS 676 -20.750 5.287 -7.541 260 HB2 LYS 676 2HB LYS 676 -21.950 5.156 -9.671 261 HB3 LYS 676 1HB LYS 676 -20.212 5.174 -9.932 262 HG2 LYS 676 2HG LYS 676 -21.080 2.464 -9.737 263 HG3 LYS 676 1HG LYS 676 -22.111 3.318 -10.886 264 HD2 LYS 676 2HD LYS 676 -20.136 4.093 -12.093 265 HD3 LYS 676 1HD LYS 676 -19.094 3.262 -10.936 266 HE2 LYS 676 2HE LYS 676 -19.510 1.222 -11.828 267 HE3 LYS 676 1HE LYS 676 -21.178 1.622 -12.232 268 HZ1 LYS 676 3HZ LYS 676 -19.941 3.184 -13.954 269 HZ2 LYS 676 1HZ LYS 676 -20.308 1.562 -14.306 270 HZ3 LYS 676 2HZ LYS 676 -18.746 1.989 -13.806 271 H ASP 677 H ASP 677 -20.869 1.874 -7.644 272 HA ASP 677 HA ASP 677 -23.634 1.443 -7.302 273 HB2 ASP 677 2HB ASP 677 -21.567 -0.395 -6.130 274 HB3 ASP 677 1HB ASP 677 -23.098 -0.794 -6.899 275 H GLY 678 H GLY 678 -24.661 2.451 -5.724 276 HA2 GLY 678 1HA GLY 678 -25.032 1.780 -3.244 277 HA3 GLY 678 2HA GLY 678 -23.461 2.548 -3.050 278 H SER 679 H SER 679 -23.707 4.682 -4.785 279 HA SER 679 HA SER 679 -25.369 6.424 -3.214 280 HB2 SER 679 2HB SER 679 -24.114 7.467 -5.688 281 HB3 SER 679 1HB SER 679 -24.080 8.110 -4.043 282 HG SER 679 HG SER 679 -22.653 6.221 -3.596 283 H GLN 680 H GLN 680 -25.334 5.213 -6.538 284 HA GLN 680 HA GLN 680 -27.943 6.438 -7.026 285 HB2 GLN 680 2HB GLN 680 -25.971 5.012 -8.816 286 HB3 GLN 680 1HB GLN 680 -27.588 5.447 -9.351 287 HG2 GLN 680 2HG GLN 680 -26.611 7.325 -10.055 288 HG3 GLN 680 1HG GLN 680 -26.714 7.815 -8.364 289 HE21 GLN 680 1HE2 GLN 680 -24.766 8.103 -10.775 290 HE22 GLN 680 2HE2 GLN 680 -23.217 7.881 -10.025 291 H SER 681 H SER 681 -29.590 5.299 -6.231 292 HA SER 681 HA SER 681 -29.476 2.467 -5.831 293 HB2 SER 681 2HB SER 681 -32.039 4.011 -5.708 294 HB3 SER 681 1HB SER 681 -31.458 2.723 -4.653 295 HG SER 681 HG SER 681 -30.577 4.171 -3.417 296 H LYS 682 H LYS 682 -30.697 4.605 -8.294 297 HA LYS 682 HA LYS 682 -32.318 2.577 -9.574 298 HB2 LYS 682 2HB LYS 682 -32.410 5.271 -9.627 299 HB3 LYS 682 1HB LYS 682 -31.472 4.987 -11.086 300 HG2 LYS 682 2HG LYS 682 -33.239 3.592 -11.985 301 HG3 LYS 682 1HG LYS 682 -34.171 3.786 -10.500 302 HD2 LYS 682 2HD LYS 682 -34.319 6.190 -10.900 303 HD3 LYS 682 1HD LYS 682 -33.364 6.008 -12.373 304 HE2 LYS 682 2HE LYS 682 -35.321 5.797 -13.428 305 HE3 LYS 682 1HE LYS 682 -35.378 4.181 -12.726 306 HZ1 LYS 682 3HZ LYS 682 -36.334 5.873 -10.770 307 HZ2 LYS 682 1HZ LYS 682 -37.239 4.804 -11.730 308 HZ3 LYS 682 2HZ LYS 682 -37.048 6.420 -12.210 309 H LEU 683 H LEU 683 -29.068 3.648 -9.636 310 HA LEU 683 HA LEU 683 -27.202 3.007 -10.731 311 HB2 LEU 683 2HB LEU 683 -28.758 0.697 -10.640 312 HB3 LEU 683 1HB LEU 683 -28.257 0.816 -12.315 313 HG LEU 683 HG LEU 683 -26.756 -0.566 -10.887 314 HD11 LEU 683 1HD1 LEU 683 -25.907 1.732 -12.535 315 HD12 LEU 683 2HD1 LEU 683 -24.654 0.958 -11.564 316 HD13 LEU 683 3HD1 LEU 683 -25.581 0.010 -12.730 317 HD21 LEU 683 3HD2 LEU 683 -26.628 0.405 -8.805 318 HD22 LEU 683 1HD2 LEU 683 -25.108 0.931 -9.528 319 HD23 LEU 683 2HD2 LEU 683 -26.478 2.038 -9.456 320 H GLY 684 H GLY 684 -29.433 1.867 -13.245 321 HA2 GLY 684 1HA GLY 684 -28.436 4.061 -14.956 322 HA3 GLY 684 2HA GLY 684 -28.599 2.413 -15.548 323 H GLY 685 H GLY 685 -29.887 3.954 -17.120 324 HA2 GLY 685 1HA GLY 685 -32.465 4.819 -16.309 325 HA3 GLY 685 2HA GLY 685 -31.931 4.564 -17.965 326 H GLY 901 H GLY 901 -34.324 3.768 -16.087 327 HA2 GLY 901 1HA GLY 901 -34.312 0.899 -16.177 328 HA3 GLY 901 2HA GLY 901 -35.660 1.925 -15.711 329 H GLY 902 H GLY 902 -33.871 0.697 -18.500 330 HA2 GLY 902 1HA GLY 902 -35.887 1.410 -20.397 331 HA3 GLY 902 2HA GLY 902 -34.544 0.308 -20.672 332 H SER 903 H SER 903 -35.305 -1.350 -18.363 333 HA SER 903 HA SER 903 -37.791 -2.545 -19.398 334 HB2 SER 903 2HB SER 903 -36.080 -4.562 -18.274 335 HB3 SER 903 1HB SER 903 -36.713 -4.445 -19.916 336 HG SER 903 HG SER 903 -34.900 -2.758 -20.079 337 H GLY 904 H GLY 904 -35.563 -2.244 -16.659 338 HA2 GLY 904 1HA GLY 904 -37.820 -2.133 -14.840 339 HA3 GLY 904 2HA GLY 904 -36.770 -3.528 -14.632 340 H GLY 905 H GLY 905 -35.793 -3.079 -12.725 341 HA2 GLY 905 1HA GLY 905 -33.535 -1.538 -12.580 342 HA3 GLY 905 2HA GLY 905 -34.824 -0.453 -12.075 343 H HIS 906 H HIS 906 -32.953 -0.899 -10.239 344 HA HIS 906 HA HIS 906 -33.897 -3.078 -8.533 345 HB2 HIS 906 2HB HIS 906 -31.346 -1.752 -8.903 346 HB3 HIS 906 1HB HIS 906 -31.815 -1.772 -7.205 347 HD1 HIS 906 1HD HIS 906 -31.783 -4.056 -5.997 348 HD2 HIS 906 2HD HIS 906 -30.943 -4.270 -10.066 349 HE1 HIS 906 1HE HIS 906 -31.003 -6.421 -6.441 350 H MET 907 H MET 907 -34.667 -2.749 -6.462 351 HA MET 907 HA MET 907 -35.859 -0.102 -6.085 352 HB2 MET 907 2HB MET 907 -36.654 -2.847 -5.485 353 HB3 MET 907 1HB MET 907 -36.898 -1.758 -4.125 354 HG2 MET 907 2HG MET 907 -37.831 -0.442 -6.441 355 HG3 MET 907 1HG MET 907 -38.480 -2.080 -6.463 356 HE1 MET 907 3HE MET 907 -41.200 -1.395 -5.946 357 HE2 MET 907 1HE MET 907 -40.313 -2.826 -5.421 358 HE3 MET 907 2HE MET 907 -41.366 -1.978 -4.290 359 H GLY 908 H GLY 908 -33.858 0.855 -5.357 360 HA2 GLY 908 1HA GLY 908 -32.922 1.910 -3.501 361 HA3 GLY 908 2HA GLY 908 -33.696 0.724 -2.460 362 H SER 909 H SER 909 -32.747 -1.448 -2.421 363 HA SER 909 HA SER 909 -29.862 -1.248 -2.288 364 HB2 SER 909 2HB SER 909 -30.985 -3.882 -1.738 365 HB3 SER 909 1HB SER 909 -30.062 -2.814 -0.680 366 HG SER 909 HG SER 909 -31.987 -1.678 -0.238 367 H GLY 910 H GLY 910 -28.431 -2.218 -3.632 368 HA2 GLY 910 1HA GLY 910 -29.516 -3.955 -5.755 369 HA3 GLY 910 2HA GLY 910 -28.406 -2.644 -6.126 370 H GLY 911 H GLY 911 -28.407 -5.082 -3.532 371 HA2 GLY 911 1HA GLY 911 -26.826 -7.031 -4.094 372 HA3 GLY 911 2HA GLY 911 -25.644 -5.746 -4.312 373 H LEU 18 H LEU 18 -26.445 -8.043 -2.235 374 HA LEU 18 HA LEU 18 -25.819 -6.393 0.125 375 HB2 LEU 18 2HB LEU 18 -27.724 -8.594 -0.297 376 HB3 LEU 18 1HB LEU 18 -26.778 -8.714 1.174 377 HG LEU 18 HG LEU 18 -28.415 -6.294 0.423 378 HD11 LEU 18 1HD1 LEU 18 -29.626 -7.412 2.595 379 HD12 LEU 18 2HD1 LEU 18 -30.170 -7.593 0.928 380 HD13 LEU 18 3HD1 LEU 18 -29.161 -8.838 1.668 381 HD21 LEU 18 3HD2 LEU 18 -27.760 -6.786 3.219 382 HD22 LEU 18 1HD2 LEU 18 -26.342 -6.520 2.204 383 HD23 LEU 18 2HD2 LEU 18 -27.625 -5.312 2.265 384 H SER 19 H SER 19 -24.631 -8.730 -1.965 385 HA SER 19 HA SER 19 -22.943 -10.028 0.005 386 HB2 SER 19 2HB SER 19 -22.126 -10.725 -2.607 387 HB3 SER 19 1HB SER 19 -23.091 -11.691 -1.490 388 HG SER 19 HG SER 19 -23.872 -10.752 -3.786 389 H TRP 20 H TRP 20 -22.753 -7.685 -2.577 390 HA TRP 20 HA TRP 20 -21.166 -6.234 -3.284 391 HB2 TRP 20 2HB TRP 20 -19.821 -6.507 -0.605 392 HB3 TRP 20 1HB TRP 20 -19.908 -5.094 -1.650 393 HD1 TRP 20 HD TRP 20 -22.976 -4.801 -2.092 394 HE1 TRP 20 1HE TRP 20 -24.545 -4.207 -0.143 395 HE3 TRP 20 3HE TRP 20 -20.020 -6.280 1.792 396 HZ2 TRP 20 2HZ TRP 20 -24.519 -4.323 2.684 397 HZ3 TRP 20 3HZ TRP 20 -20.853 -5.993 4.087 398 HH2 TRP 20 HH TRP 20 -23.056 -5.037 4.524 399 H LYS 21 H LYS 21 -18.361 -6.221 -2.228 400 HA LYS 21 HA LYS 21 -17.403 -8.460 -3.856 401 HB2 LYS 21 2HB LYS 21 -16.435 -5.740 -3.261 402 HB3 LYS 21 1HB LYS 21 -15.185 -6.977 -3.305 403 HG2 LYS 21 2HG LYS 21 -15.260 -6.155 -5.477 404 HG3 LYS 21 1HG LYS 21 -16.190 -7.653 -5.552 405 HD2 LYS 21 2HD LYS 21 -17.958 -6.535 -6.302 406 HD3 LYS 21 1HD LYS 21 -17.954 -5.524 -4.856 407 HE2 LYS 21 2HE LYS 21 -16.809 -3.827 -5.881 408 HE3 LYS 21 1HE LYS 21 -15.985 -4.915 -6.993 409 HZ1 LYS 21 3HZ LYS 21 -18.848 -4.772 -7.358 410 HZ2 LYS 21 1HZ LYS 21 -17.604 -4.733 -8.510 411 HZ3 LYS 21 2HZ LYS 21 -18.035 -3.322 -7.673 412 H ARG 22 H ARG 22 -16.326 -10.119 -2.999 413 HA ARG 22 HA ARG 22 -16.170 -10.440 -0.174 414 HB2 ARG 22 2HB ARG 22 -16.458 -12.472 -1.215 415 HB3 ARG 22 1HB ARG 22 -15.437 -12.036 -2.575 416 HG2 ARG 22 2HG ARG 22 -14.171 -13.642 -1.552 417 HG3 ARG 22 1HG ARG 22 -13.517 -12.175 -0.823 418 HD2 ARG 22 2HD ARG 22 -15.290 -12.589 1.017 419 HD3 ARG 22 1HD ARG 22 -15.350 -14.228 0.364 420 HE ARG 22 HE ARG 22 -12.845 -12.986 1.318 421 HH11 ARG 22 2HH1 ARG 22 -15.140 -15.642 1.299 422 HH12 ARG 22 1HH1 ARG 22 -14.072 -16.736 2.139 423 HH21 ARG 22 2HH2 ARG 22 -11.442 -14.431 2.409 424 HH22 ARG 22 1HH2 ARG 22 -11.973 -16.045 2.755 425 H CYS 23 H CYS 23 -14.548 -10.002 1.203 426 HA CYS 23 HA CYS 23 -12.233 -8.634 0.106 427 HB2 CYS 23 2HB CYS 23 -12.284 -7.371 1.964 428 HB3 CYS 23 1HB CYS 23 -13.879 -8.063 2.204 429 H ALA 24 H ALA 24 -10.068 -9.062 0.949 430 HA ALA 24 HA ALA 24 -9.658 -11.921 0.685 431 HB1 ALA 24 1HB ALA 24 -8.360 -9.653 -0.306 432 HB2 ALA 24 2HB ALA 24 -7.213 -10.426 0.789 433 HB3 ALA 24 3HB ALA 24 -7.913 -11.344 -0.542 434 H GLY 25 H GLY 25 -8.236 -9.379 2.770 435 HA2 GLY 25 1HA GLY 25 -6.713 -11.201 4.301 436 HA3 GLY 25 2HA GLY 25 -7.065 -9.538 4.736 437 H CYS 26 H CYS 26 -9.243 -9.148 5.700 438 HA CYS 26 HA CYS 26 -9.729 -10.654 7.946 439 HB2 CYS 26 2HB CYS 26 -12.100 -9.363 6.740 440 HB3 CYS 26 1HB CYS 26 -11.412 -9.181 8.352 441 H GLY 27 H GLY 27 -11.312 -10.882 4.781 442 HA2 GLY 27 1HA GLY 27 -11.886 -12.956 3.799 443 HA3 GLY 27 2HA GLY 27 -11.932 -13.676 5.402 444 H GLY 28 H GLY 28 -13.495 -10.694 4.323 445 HA2 GLY 28 1HA GLY 28 -16.097 -12.047 4.678 446 HA3 GLY 28 2HA GLY 28 -15.779 -10.480 5.413 447 H LYS 29 H LYS 29 -16.397 -8.764 4.311 448 HA LYS 29 HA LYS 29 -16.364 -8.797 1.409 449 HB2 LYS 29 2HB LYS 29 -18.748 -7.686 1.564 450 HB3 LYS 29 1HB LYS 29 -18.583 -9.434 1.501 451 HG2 LYS 29 2HG LYS 29 -18.480 -8.923 4.190 452 HG3 LYS 29 1HG LYS 29 -19.639 -7.726 3.608 453 HD2 LYS 29 2HD LYS 29 -20.216 -10.183 2.317 454 HD3 LYS 29 1HD LYS 29 -20.017 -10.516 4.039 455 HE2 LYS 29 2HE LYS 29 -21.856 -9.332 4.616 456 HE3 LYS 29 1HE LYS 29 -21.612 -8.132 3.349 457 HZ1 LYS 29 3HZ LYS 29 -22.211 -10.458 2.024 458 HZ2 LYS 29 1HZ LYS 29 -23.246 -9.135 2.267 459 HZ3 LYS 29 2HZ LYS 29 -23.272 -10.440 3.348 460 H ILE 30 H ILE 30 -16.082 -6.785 0.523 461 HA ILE 30 HA ILE 30 -15.078 -4.776 2.297 462 HB ILE 30 HB ILE 30 -15.569 -4.704 -0.689 463 HG12 ILE 30 2HG1 ILE 30 -12.816 -4.610 0.100 464 HG13 ILE 30 1HG1 ILE 30 -13.587 -5.985 0.883 465 HG21 ILE 30 1HG2 ILE 30 -13.701 -2.839 0.693 466 HG22 ILE 30 2HG2 ILE 30 -14.579 -2.637 -0.824 467 HG23 ILE 30 3HG2 ILE 30 -15.428 -2.481 0.716 468 HD11 ILE 30 3HD1 ILE 30 -14.219 -5.685 -1.960 469 HD12 ILE 30 1HD1 ILE 30 -12.523 -6.012 -1.601 470 HD13 ILE 30 2HD1 ILE 30 -13.776 -7.118 -1.032 471 H ALA 31 H ALA 31 -16.449 -3.650 3.491 472 HA ALA 31 HA ALA 31 -18.850 -2.558 2.197 473 HB1 ALA 31 1HB ALA 31 -18.417 -3.307 5.085 474 HB2 ALA 31 2HB ALA 31 -19.834 -2.448 4.482 475 HB3 ALA 31 3HB ALA 31 -19.499 -4.091 3.934 476 H ASP 32 H ASP 32 -15.910 -1.700 2.761 477 HA ASP 32 HA ASP 32 -16.047 0.623 4.373 478 HB2 ASP 32 2HB ASP 32 -14.136 -0.217 2.191 479 HB3 ASP 32 1HB ASP 32 -13.932 1.268 3.110 480 H ARG 33 H ARG 33 -15.103 0.924 1.011 481 HA ARG 33 HA ARG 33 -17.458 2.136 0.042 482 HB2 ARG 33 2HB ARG 33 -16.142 3.905 1.633 483 HB3 ARG 33 1HB ARG 33 -15.371 4.231 0.087 484 HG2 ARG 33 2HG ARG 33 -18.241 4.054 -0.192 485 HG3 ARG 33 1HG ARG 33 -17.781 5.257 1.013 486 HD2 ARG 33 2HD ARG 33 -17.205 6.673 -0.592 487 HD3 ARG 33 1HD ARG 33 -16.048 5.506 -1.228 488 HE ARG 33 HE ARG 33 -18.071 4.568 -2.460 489 HH11 ARG 33 2HH1 ARG 33 -17.729 7.947 -1.623 490 HH12 ARG 33 1HH1 ARG 33 -18.693 8.506 -2.955 491 HH21 ARG 33 2HH2 ARG 33 -19.311 5.305 -4.249 492 HH22 ARG 33 1HH2 ARG 33 -19.589 7.010 -4.446 493 H PHE 34 H PHE 34 -14.038 2.967 -0.431 494 HA PHE 34 HA PHE 34 -14.323 2.262 -3.240 495 HB2 PHE 34 2HB PHE 34 -12.570 4.045 -1.687 496 HB3 PHE 34 1HB PHE 34 -11.756 3.165 -2.981 497 HD1 PHE 34 1HD PHE 34 -15.193 4.573 -2.761 498 HD2 PHE 34 2HD PHE 34 -11.415 4.650 -4.715 499 HE1 PHE 34 1HE PHE 34 -16.090 6.155 -4.411 500 HE2 PHE 34 2HE PHE 34 -12.301 6.240 -6.370 501 HZ PHE 34 HZ PHE 34 -14.641 6.990 -6.224 502 H LEU 35 H LEU 35 -13.010 0.807 -4.281 503 HA LEU 35 HA LEU 35 -11.938 -1.282 -2.534 504 HB2 LEU 35 2HB LEU 35 -13.160 -1.218 -5.235 505 HB3 LEU 35 1HB LEU 35 -11.907 -2.414 -4.966 506 HG LEU 35 HG LEU 35 -13.422 -2.861 -2.786 507 HD11 LEU 35 1HD1 LEU 35 -15.111 -1.241 -3.306 508 HD12 LEU 35 2HD1 LEU 35 -15.304 -1.898 -4.932 509 HD13 LEU 35 3HD1 LEU 35 -15.785 -2.857 -3.534 510 HD21 LEU 35 3HD2 LEU 35 -12.738 -4.608 -4.211 511 HD22 LEU 35 1HD2 LEU 35 -14.500 -4.668 -4.179 512 HD23 LEU 35 2HD2 LEU 35 -13.666 -3.969 -5.566 513 H LEU 36 H LEU 36 -9.837 -1.876 -2.596 514 HA LEU 36 HA LEU 36 -8.089 -0.258 -4.322 515 HB2 LEU 36 2HB LEU 36 -7.457 -1.612 -1.700 516 HB3 LEU 36 1HB LEU 36 -6.347 -0.632 -2.639 517 HG LEU 36 HG LEU 36 -8.703 0.907 -2.118 518 HD11 LEU 36 1HD1 LEU 36 -9.209 -0.381 -0.218 519 HD12 LEU 36 2HD1 LEU 36 -7.512 -0.504 0.247 520 HD13 LEU 36 3HD1 LEU 36 -8.353 1.040 0.383 521 HD21 LEU 36 3HD2 LEU 36 -7.136 2.470 -1.962 522 HD22 LEU 36 1HD2 LEU 36 -6.402 1.666 -0.574 523 HD23 LEU 36 2HD2 LEU 36 -5.927 1.211 -2.211 524 H TYR 37 H TYR 37 -6.724 -1.214 -5.683 525 HA TYR 37 HA TYR 37 -6.766 -4.138 -5.892 526 HB2 TYR 37 2HB TYR 37 -6.643 -1.930 -7.754 527 HB3 TYR 37 1HB TYR 37 -5.293 -3.026 -8.012 528 HD1 TYR 37 1HD TYR 37 -6.923 -5.550 -7.109 529 HD2 TYR 37 2HD TYR 37 -7.661 -2.383 -9.847 530 HE1 TYR 37 1HE TYR 37 -8.377 -7.035 -8.427 531 HE2 TYR 37 2HE TYR 37 -9.117 -3.850 -11.165 532 HH TYR 37 HH TYR 37 -9.374 -7.273 -10.528 533 H ALA 38 H ALA 38 -5.171 -5.115 -4.786 534 HA ALA 38 HA ALA 38 -2.475 -3.949 -4.981 535 HB1 ALA 38 1HB ALA 38 -1.848 -5.309 -3.071 536 HB2 ALA 38 2HB ALA 38 -3.259 -4.322 -2.683 537 HB3 ALA 38 3HB ALA 38 -3.454 -6.040 -3.037 538 H MET 39 H MET 39 -2.631 -7.245 -4.091 539 HA MET 39 HA MET 39 -1.403 -7.988 -6.604 540 HB2 MET 39 2HB MET 39 -1.150 -10.240 -5.518 541 HB3 MET 39 1HB MET 39 -0.354 -8.916 -4.682 542 HG2 MET 39 2HG MET 39 -2.495 -8.834 -3.251 543 HG3 MET 39 1HG MET 39 -2.793 -10.449 -3.892 544 HE1 MET 39 3HE MET 39 -0.224 -8.134 -2.460 545 HE2 MET 39 1HE MET 39 -0.848 -8.608 -0.880 546 HE3 MET 39 2HE MET 39 0.769 -9.103 -1.373 547 H ASP 40 H ASP 40 -3.738 -7.221 -7.315 548 HA ASP 40 HA ASP 40 -5.400 -7.787 -8.736 549 HB2 ASP 40 2HB ASP 40 -3.726 -9.904 -9.014 550 HB3 ASP 40 1HB ASP 40 -5.199 -10.711 -8.479 551 H SER 41 H SER 41 -5.341 -8.834 -5.528 552 HA SER 41 HA SER 41 -8.033 -9.892 -5.540 553 HB2 SER 41 2HB SER 41 -7.017 -9.191 -2.921 554 HB3 SER 41 1HB SER 41 -7.389 -10.787 -3.581 555 HG SER 41 HG SER 41 -5.328 -10.855 -4.488 556 H TYR 42 H TYR 42 -9.617 -8.914 -3.901 557 HA TYR 42 HA TYR 42 -9.734 -6.020 -4.386 558 HB2 TYR 42 2HB TYR 42 -11.817 -8.068 -3.637 559 HB3 TYR 42 1HB TYR 42 -12.128 -6.341 -3.525 560 HD1 TYR 42 2HD TYR 42 -10.770 -5.347 -5.957 561 HD2 TYR 42 1HD TYR 42 -13.182 -8.799 -5.362 562 HE1 TYR 42 2HE TYR 42 -11.411 -5.301 -8.329 563 HE2 TYR 42 1HE TYR 42 -13.830 -8.758 -7.732 564 HH TYR 42 HH TYR 42 -12.669 -6.203 -9.914 565 H TRP 43 H TRP 43 -9.155 -4.678 -2.799 566 HA TRP 43 HA TRP 43 -9.338 -5.673 -0.033 567 HB2 TRP 43 2HB TRP 43 -7.279 -3.675 -0.947 568 HB3 TRP 43 1HB TRP 43 -7.303 -4.620 0.537 569 HD1 TRP 43 HD TRP 43 -6.766 -5.112 -3.254 570 HE1 TRP 43 1HE TRP 43 -5.242 -7.148 -3.588 571 HE3 TRP 43 3HE TRP 43 -6.335 -6.626 1.609 572 HZ2 TRP 43 2HZ TRP 43 -4.011 -9.124 -2.023 573 HZ3 TRP 43 3HZ TRP 43 -4.955 -8.608 2.100 574 HH2 TRP 43 HH TRP 43 -3.817 -9.822 0.309 575 H HIS 44 H HIS 44 -9.713 -4.159 1.585 576 HA HIS 44 HA HIS 44 -10.676 -1.508 0.738 577 HB2 HIS 44 2HB HIS 44 -12.239 -1.603 2.735 578 HB3 HIS 44 1HB HIS 44 -12.656 -2.701 1.428 579 HD1 HIS 44 1HD HIS 44 -13.105 -2.865 4.789 580 HD2 HIS 44 2HD HIS 44 -10.819 -5.199 2.220 581 HE1 HIS 44 1HE HIS 44 -12.644 -5.068 6.009 582 H SER 45 H SER 45 -10.857 -0.323 3.272 583 HA SER 45 HA SER 45 -8.128 0.280 3.676 584 HB2 SER 45 2HB SER 45 -9.977 0.960 5.877 585 HB3 SER 45 1HB SER 45 -8.892 1.996 4.949 586 HG SER 45 HG SER 45 -11.498 1.097 4.298 587 H ARG 46 H ARG 46 -10.330 -1.890 5.362 588 HA ARG 46 HA ARG 46 -8.538 -2.363 7.556 589 HB2 ARG 46 2HB ARG 46 -11.184 -3.346 6.688 590 HB3 ARG 46 1HB ARG 46 -10.228 -4.490 7.621 591 HG2 ARG 46 2HG ARG 46 -10.184 -1.869 8.827 592 HG3 ARG 46 1HG ARG 46 -11.834 -2.453 8.605 593 HD2 ARG 46 2HD ARG 46 -11.606 -3.802 10.347 594 HD3 ARG 46 1HD ARG 46 -10.252 -4.608 9.555 595 HE ARG 46 HE ARG 46 -9.586 -2.115 10.870 596 HH11 ARG 46 2HH1 ARG 46 -9.817 -5.603 11.148 597 HH12 ARG 46 1HH1 ARG 46 -8.752 -5.688 12.521 598 HH21 ARG 46 2HH2 ARG 46 -8.176 -2.236 12.689 599 HH22 ARG 46 1HH2 ARG 46 -7.817 -3.793 13.382 600 H CYS 47 H CYS 47 -8.656 -3.468 4.356 601 HA CYS 47 HA CYS 47 -7.275 -5.969 5.013 602 HB2 CYS 47 2HB CYS 47 -9.124 -5.179 2.945 603 HB3 CYS 47 1HB CYS 47 -7.643 -5.811 2.234 604 H LEU 48 H LEU 48 -6.990 -3.165 2.841 605 HA LEU 48 HA LEU 48 -4.344 -3.889 2.024 606 HB2 LEU 48 2HB LEU 48 -6.344 -2.355 0.952 607 HB3 LEU 48 1HB LEU 48 -5.209 -1.139 1.508 608 HG LEU 48 HG LEU 48 -5.103 -2.260 -0.932 609 HD11 LEU 48 1HD1 LEU 48 -3.225 -0.900 0.831 610 HD12 LEU 48 2HD1 LEU 48 -2.462 -1.793 -0.485 611 HD13 LEU 48 3HD1 LEU 48 -3.669 -0.559 -0.841 612 HD21 LEU 48 3HD2 LEU 48 -4.380 -4.412 0.598 613 HD22 LEU 48 1HD2 LEU 48 -3.966 -4.180 -1.100 614 HD23 LEU 48 2HD2 LEU 48 -2.817 -3.723 0.157 615 H LYS 49 H LYS 49 -3.648 -3.989 4.298 616 HA LYS 49 HA LYS 49 -2.173 -1.548 4.916 617 HB2 LYS 49 2HB LYS 49 -2.669 -2.099 7.420 618 HB3 LYS 49 1HB LYS 49 -3.865 -1.200 6.499 619 HG2 LYS 49 2HG LYS 49 -5.230 -2.718 7.492 620 HG3 LYS 49 1HG LYS 49 -4.809 -3.627 6.038 621 HD2 LYS 49 2HD LYS 49 -2.776 -4.286 7.749 622 HD3 LYS 49 1HD LYS 49 -4.153 -4.150 8.844 623 HE2 LYS 49 2HE LYS 49 -4.319 -6.354 8.219 624 HE3 LYS 49 1HE LYS 49 -5.352 -5.594 7.011 625 HZ1 LYS 49 3HZ LYS 49 -3.093 -7.170 6.580 626 HZ2 LYS 49 1HZ LYS 49 -2.707 -5.604 6.061 627 HZ3 LYS 49 2HZ LYS 49 -4.060 -6.395 5.423 628 H CYS 50 H CYS 50 -0.343 -2.069 6.470 629 HA CYS 50 HA CYS 50 0.926 -4.516 5.819 630 HB2 CYS 50 2HB CYS 50 2.179 -2.503 6.582 631 HB3 CYS 50 1HB CYS 50 1.479 -2.701 8.185 632 H SER 51 H SER 51 0.636 -6.499 6.682 633 HA SER 51 HA SER 51 -1.305 -6.826 8.786 634 HB2 SER 51 2HB SER 51 0.441 -8.995 7.617 635 HB3 SER 51 1HB SER 51 -1.143 -9.166 8.373 636 HG SER 51 HG SER 51 -0.634 -8.860 5.825 637 H SER 52 H SER 52 1.846 -5.987 8.790 638 HA SER 52 HA SER 52 2.439 -7.348 11.322 639 HB2 SER 52 2HB SER 52 4.596 -5.767 10.128 640 HB3 SER 52 1HB SER 52 4.592 -7.454 10.643 641 HG SER 52 HG SER 52 3.779 -6.340 8.166 642 H CYS 53 H CYS 53 1.973 -4.211 9.834 643 HA CYS 53 HA CYS 53 2.570 -2.886 12.384 644 HB2 CYS 53 2HB CYS 53 2.256 -1.821 9.579 645 HB3 CYS 53 1HB CYS 53 2.420 -0.783 10.991 646 H GLN 54 H GLN 54 -0.044 -3.779 10.349 647 HA GLN 54 HA GLN 54 -2.246 -3.283 10.243 648 HB2 GLN 54 2HB GLN 54 -1.638 -2.830 13.141 649 HB3 GLN 54 1HB GLN 54 -3.240 -2.452 12.516 650 HG2 GLN 54 2HG GLN 54 -1.887 -5.125 12.253 651 HG3 GLN 54 1HG GLN 54 -3.058 -4.711 13.500 652 HE21 GLN 54 1HE2 GLN 54 -5.068 -3.531 12.359 653 HE22 GLN 54 2HE2 GLN 54 -5.754 -4.464 11.074 654 H ALA 55 H ALA 55 -0.295 -1.287 9.530 655 HA ALA 55 HA ALA 55 -1.667 1.225 10.177 656 HB1 ALA 55 1HB ALA 55 0.952 0.885 8.722 657 HB2 ALA 55 2HB ALA 55 0.293 2.358 9.431 658 HB3 ALA 55 3HB ALA 55 0.822 1.038 10.473 659 H GLN 56 H GLN 56 -2.636 2.442 8.644 660 HA GLN 56 HA GLN 56 -3.824 1.244 6.464 661 HB2 GLN 56 2HB GLN 56 -3.416 4.033 7.376 662 HB3 GLN 56 1HB GLN 56 -3.903 3.816 5.700 663 HG2 GLN 56 2HG GLN 56 -5.367 3.035 8.193 664 HG3 GLN 56 1HG GLN 56 -5.894 4.093 6.884 665 HE21 GLN 56 1HE2 GLN 56 -6.624 1.313 8.201 666 HE22 GLN 56 2HE2 GLN 56 -7.051 0.366 6.812 667 H LEU 57 H LEU 57 -3.029 0.515 4.622 668 HA LEU 57 HA LEU 57 -0.530 1.670 3.600 669 HB2 LEU 57 2HB LEU 57 -1.605 -0.994 3.748 670 HB3 LEU 57 1HB LEU 57 -1.282 -0.581 2.075 671 HG LEU 57 HG LEU 57 1.033 -0.137 2.576 672 HD11 LEU 57 1HD1 LEU 57 0.109 0.214 5.212 673 HD12 LEU 57 2HD1 LEU 57 1.247 -1.135 5.234 674 HD13 LEU 57 3HD1 LEU 57 1.746 0.429 4.592 675 HD21 LEU 57 3HD2 LEU 57 -0.139 -2.600 2.564 676 HD22 LEU 57 1HD2 LEU 57 1.597 -2.296 2.485 677 HD23 LEU 57 2HD2 LEU 57 0.833 -2.654 4.034 678 H GLY 58 H GLY 58 -3.899 1.383 2.969 679 HA2 GLY 58 1HA GLY 58 -3.629 2.224 0.194 680 HA3 GLY 58 2HA GLY 58 -5.126 1.837 1.028 681 H ASP 59 H ASP 59 -3.903 3.655 3.245 682 HA ASP 59 HA ASP 59 -5.099 6.096 2.160 683 HB2 ASP 59 2HB ASP 59 -5.882 5.010 4.362 684 HB3 ASP 59 1HB ASP 59 -4.384 5.630 5.049 685 H ILE 60 H ILE 60 -2.277 5.050 1.787 686 HA ILE 60 HA ILE 60 -0.999 7.616 2.412 687 HB ILE 60 HB ILE 60 1.194 6.198 2.477 688 HG12 ILE 60 2HG1 ILE 60 -0.568 4.150 3.759 689 HG13 ILE 60 1HG1 ILE 60 -0.330 4.095 2.015 690 HG21 ILE 60 1HG2 ILE 60 0.194 7.591 4.285 691 HG22 ILE 60 2HG2 ILE 60 -0.644 6.148 4.859 692 HG23 ILE 60 3HG2 ILE 60 1.120 6.201 4.856 693 HD11 ILE 60 3HD1 ILE 60 2.090 3.969 2.365 694 HD12 ILE 60 1HD1 ILE 60 1.827 3.967 4.109 695 HD13 ILE 60 2HD1 ILE 60 1.231 2.631 3.126 696 H GLY 61 H GLY 61 0.343 8.418 0.849 697 HA2 GLY 61 1HA GLY 61 -0.049 7.439 -1.822 698 HA3 GLY 61 2HA GLY 61 0.949 8.809 -1.346 699 H THR 62 H THR 62 2.152 6.763 0.652 700 HA THR 62 HA THR 62 4.423 6.026 -0.873 701 HB THR 62 HB THR 62 4.005 4.513 1.592 702 HG1 THR 62 1HG THR 62 4.063 6.446 2.912 703 HG21 THR 62 3HG2 THR 62 6.116 5.960 2.143 704 HG22 THR 62 1HG2 THR 62 6.053 6.358 0.427 705 HG23 THR 62 2HG2 THR 62 6.222 4.677 0.938 706 H SER 63 H SER 63 4.698 4.290 -2.130 707 HA SER 63 HA SER 63 2.495 2.484 -2.488 708 HB2 SER 63 2HB SER 63 5.151 2.056 -3.794 709 HB3 SER 63 1HB SER 63 3.527 1.866 -4.459 710 HG SER 63 HG SER 63 3.804 4.404 -3.773 711 H SER 64 H SER 64 2.215 0.548 -1.610 712 HA SER 64 HA SER 64 4.043 -0.519 0.292 713 HB2 SER 64 2HB SER 64 2.069 -2.419 -0.678 714 HB3 SER 64 1HB SER 64 2.229 -1.695 0.923 715 HG SER 64 HG SER 64 1.064 0.088 0.202 716 H TYR 65 H TYR 65 4.821 -2.824 0.154 717 HA TYR 65 HA TYR 65 5.757 -3.387 -2.578 718 HB2 TYR 65 2HB TYR 65 7.407 -3.397 -0.045 719 HB3 TYR 65 1HB TYR 65 7.964 -3.993 -1.607 720 HD1 TYR 65 1HD TYR 65 7.609 -2.236 -3.591 721 HD2 TYR 65 2HD TYR 65 7.997 -1.234 0.524 722 HE1 TYR 65 1HE TYR 65 8.314 0.030 -4.218 723 HE2 TYR 65 2HE TYR 65 8.708 1.036 -0.091 724 HH TYR 65 HH TYR 65 9.633 2.247 -1.925 725 H THR 66 H THR 66 6.572 -5.578 -2.878 726 HA THR 66 HA THR 66 5.701 -7.561 -0.967 727 HB THR 66 HB THR 66 3.714 -6.875 -2.494 728 HG1 THR 66 1HG THR 66 3.714 -8.709 -1.124 729 HG21 THR 66 3HG2 THR 66 4.096 -8.833 -4.452 730 HG22 THR 66 1HG2 THR 66 5.583 -7.886 -4.440 731 HG23 THR 66 2HG2 THR 66 4.032 -7.085 -4.692 732 H LYS 67 H LYS 67 6.119 -9.808 -1.915 733 HA LYS 67 HA LYS 67 8.037 -10.052 -4.016 734 HB2 LYS 67 2HB LYS 67 9.277 -9.192 -1.876 735 HB3 LYS 67 1HB LYS 67 9.084 -10.846 -1.314 736 HG2 LYS 67 2HG LYS 67 10.276 -11.642 -3.321 737 HG3 LYS 67 1HG LYS 67 10.515 -9.967 -3.817 738 HD2 LYS 67 2HD LYS 67 11.838 -9.521 -1.853 739 HD3 LYS 67 1HD LYS 67 11.490 -11.124 -1.208 740 HE2 LYS 67 2HE LYS 67 13.370 -11.812 -2.180 741 HE3 LYS 67 1HE LYS 67 12.544 -11.620 -3.727 742 HZ1 LYS 67 3HZ LYS 67 13.444 -9.449 -3.975 743 HZ2 LYS 67 1HZ LYS 67 14.731 -10.466 -3.550 744 HZ3 LYS 67 2HZ LYS 67 14.054 -9.433 -2.392 745 H SER 68 H SER 68 7.527 -11.777 -0.964 746 HA SER 68 HA SER 68 6.917 -14.203 -2.458 747 HB2 SER 68 2HB SER 68 7.010 -14.497 0.427 748 HB3 SER 68 1HB SER 68 8.029 -15.243 -0.807 749 HG SER 68 HG SER 68 9.528 -13.798 -0.442 750 H GLY 69 H GLY 69 4.858 -12.507 -2.720 751 HA2 GLY 69 1HA GLY 69 2.571 -12.518 -2.615 752 HA3 GLY 69 2HA GLY 69 2.707 -14.076 -1.823 753 H MET 70 H MET 70 4.123 -11.183 -0.431 754 HA MET 70 HA MET 70 1.994 -11.238 1.608 755 HB2 MET 70 2HB MET 70 4.955 -11.200 1.901 756 HB3 MET 70 1HB MET 70 4.011 -10.265 3.054 757 HG2 MET 70 2HG MET 70 2.727 -12.293 3.606 758 HG3 MET 70 1HG MET 70 3.759 -13.214 2.513 759 HE1 MET 70 3HE MET 70 5.378 -14.644 3.373 760 HE2 MET 70 1HE MET 70 6.564 -13.396 2.987 761 HE3 MET 70 2HE MET 70 6.641 -14.239 4.535 762 H ILE 71 H ILE 71 0.947 -9.378 1.918 763 HA ILE 71 HA ILE 71 1.867 -6.922 0.706 764 HB ILE 71 HB ILE 71 -0.130 -6.291 2.598 765 HG12 ILE 71 2HG1 ILE 71 -1.906 -7.933 1.527 766 HG13 ILE 71 1HG1 ILE 71 -0.500 -8.985 1.370 767 HG21 ILE 71 1HG2 ILE 71 -1.038 -6.755 -0.144 768 HG22 ILE 71 2HG2 ILE 71 -1.062 -5.288 0.833 769 HG23 ILE 71 3HG2 ILE 71 0.415 -5.767 -0.010 770 HD11 ILE 71 3HD1 ILE 71 -1.935 -8.072 3.791 771 HD12 ILE 71 1HD1 ILE 71 -1.218 -9.638 3.414 772 HD13 ILE 71 2HD1 ILE 71 -0.187 -8.297 3.914 773 H LEU 72 H LEU 72 3.550 -5.900 1.598 774 HA LEU 72 HA LEU 72 3.613 -5.616 4.513 775 HB2 LEU 72 2HB LEU 72 5.480 -6.899 2.776 776 HB3 LEU 72 1HB LEU 72 6.240 -5.472 3.454 777 HG LEU 72 HG LEU 72 5.809 -6.252 5.689 778 HD11 LEU 72 1HD1 LEU 72 3.784 -7.754 4.557 779 HD12 LEU 72 2HD1 LEU 72 4.969 -8.944 5.099 780 HD13 LEU 72 3HD1 LEU 72 4.307 -7.778 6.244 781 HD21 LEU 72 3HD2 LEU 72 7.850 -7.090 5.218 782 HD22 LEU 72 1HD2 LEU 72 7.002 -8.632 5.311 783 HD23 LEU 72 2HD2 LEU 72 7.295 -7.884 3.741 784 H CYS 73 H CYS 73 4.857 -3.744 5.249 785 HA CYS 73 HA CYS 73 4.199 -1.435 3.667 786 HB2 CYS 73 2HB CYS 73 4.865 -0.158 5.629 787 HB3 CYS 73 1HB CYS 73 3.810 -1.483 6.104 788 H ARG 74 H ARG 74 6.008 0.406 4.012 789 HA ARG 74 HA ARG 74 8.098 -0.247 2.231 790 HB2 ARG 74 2HB ARG 74 6.981 2.052 2.869 791 HB3 ARG 74 1HB ARG 74 8.271 2.118 4.062 792 HG2 ARG 74 2HG ARG 74 9.044 1.482 1.279 793 HG3 ARG 74 1HG ARG 74 8.499 3.129 1.611 794 HD2 ARG 74 2HD ARG 74 10.905 1.675 2.603 795 HD3 ARG 74 1HD ARG 74 10.755 3.324 2.002 796 HE ARG 74 HE ARG 74 9.332 3.308 4.341 797 HH11 ARG 74 2HH1 ARG 74 12.628 2.593 3.418 798 HH12 ARG 74 1HH1 ARG 74 13.295 2.994 4.972 799 HH21 ARG 74 2HH2 ARG 74 10.189 3.838 6.391 800 HH22 ARG 74 1HH2 ARG 74 11.908 3.716 6.664 801 H ASN 75 H ASN 75 7.912 -0.051 5.730 802 HA ASN 75 HA ASN 75 10.778 -0.229 6.058 803 HB2 ASN 75 2HB ASN 75 9.460 1.119 7.626 804 HB3 ASN 75 1HB ASN 75 8.548 -0.310 8.105 805 HD21 ASN 75 1HD2 ASN 75 9.113 -0.829 10.088 806 HD22 ASN 75 2HD2 ASN 75 10.735 -0.911 10.690 807 H ASP 76 H ASP 76 7.971 -2.313 6.419 808 HA ASP 76 HA ASP 76 9.283 -4.375 7.837 809 HB2 ASP 76 2HB ASP 76 6.653 -3.886 6.798 810 HB3 ASP 76 1HB ASP 76 7.152 -5.528 6.396 811 H TYR 77 H TYR 77 8.647 -3.921 4.371 812 HA TYR 77 HA TYR 77 9.485 -6.495 3.602 813 HB2 TYR 77 2HB TYR 77 8.230 -5.217 2.013 814 HB3 TYR 77 1HB TYR 77 9.417 -3.912 2.032 815 HD1 TYR 77 1HD TYR 77 9.313 -7.596 1.424 816 HD2 TYR 77 2HD TYR 77 10.896 -3.824 0.256 817 HE1 TYR 77 1HE TYR 77 10.553 -8.686 -0.392 818 HE2 TYR 77 2HE TYR 77 12.140 -4.903 -1.567 819 HH TYR 77 HH TYR 77 13.051 -7.179 -2.065 820 H ILE 78 H ILE 78 11.268 -3.433 3.825 821 HA ILE 78 HA ILE 78 13.703 -4.441 2.783 822 HB ILE 78 HB ILE 78 13.300 -2.101 4.661 823 HG12 ILE 78 2HG1 ILE 78 13.501 -2.121 1.641 824 HG13 ILE 78 1HG1 ILE 78 11.993 -1.977 2.539 825 HG21 ILE 78 1HG2 ILE 78 15.604 -2.690 4.673 826 HG22 ILE 78 2HG2 ILE 78 15.624 -2.908 2.923 827 HG23 ILE 78 3HG2 ILE 78 15.437 -1.294 3.609 828 HD11 ILE 78 3HD1 ILE 78 12.770 0.184 1.762 829 HD12 ILE 78 1HD1 ILE 78 12.779 0.109 3.525 830 HD13 ILE 78 2HD1 ILE 78 14.291 -0.039 2.628 831 H ARG 79 H ARG 79 12.276 -4.399 5.967 832 HA ARG 79 HA ARG 79 14.630 -5.249 7.352 833 HB2 ARG 79 2HB ARG 79 12.158 -4.256 8.092 834 HB3 ARG 79 1HB ARG 79 12.081 -5.932 8.612 835 HG2 ARG 79 2HG ARG 79 14.306 -5.528 9.759 836 HG3 ARG 79 1HG ARG 79 14.027 -3.814 9.454 837 HD2 ARG 79 2HD ARG 79 11.673 -5.013 10.558 838 HD3 ARG 79 1HD ARG 79 13.062 -5.355 11.586 839 HE ARG 79 HE ARG 79 13.101 -2.638 10.910 840 HH11 ARG 79 2HH1 ARG 79 11.181 -4.881 12.795 841 HH12 ARG 79 1HH1 ARG 79 10.639 -3.667 13.918 842 HH21 ARG 79 2HH2 ARG 79 12.398 -1.039 12.375 843 HH22 ARG 79 1HH2 ARG 79 11.366 -1.491 13.709 844 H LEU 80 H LEU 80 11.708 -6.854 6.151 845 HA LEU 80 HA LEU 80 12.361 -9.398 7.216 846 HB2 LEU 80 2HB LEU 80 10.131 -8.228 6.064 847 HB3 LEU 80 1HB LEU 80 10.590 -9.465 4.906 848 HG LEU 80 HG LEU 80 10.664 -11.042 6.965 849 HD11 LEU 80 1HD1 LEU 80 8.722 -10.143 8.530 850 HD12 LEU 80 2HD1 LEU 80 10.422 -9.803 8.853 851 HD13 LEU 80 3HD1 LEU 80 9.414 -8.590 8.063 852 HD21 LEU 80 3HD2 LEU 80 8.433 -10.081 5.334 853 HD22 LEU 80 1HD2 LEU 80 8.972 -11.727 5.667 854 HD23 LEU 80 2HD2 LEU 80 7.947 -10.883 6.827 855 H PHE 81 H PHE 81 12.414 -8.228 3.827 856 HA PHE 81 HA PHE 81 14.177 -10.515 3.245 857 HB2 PHE 81 2HB PHE 81 12.222 -9.098 1.424 858 HB3 PHE 81 1HB PHE 81 13.337 -10.357 0.905 859 HD1 PHE 81 2HD PHE 81 13.049 -12.662 1.696 860 HD2 PHE 81 1HD PHE 81 10.225 -9.612 2.587 861 HE1 PHE 81 2HE PHE 81 11.395 -14.381 2.297 862 HE2 PHE 81 1HE PHE 81 8.556 -11.326 3.188 863 HZ PHE 81 HZ PHE 81 9.145 -13.713 3.043 864 H GLY 82 H GLY 82 13.706 -8.255 0.758 865 HA2 GLY 82 1HA GLY 82 15.130 -6.313 0.329 866 HA3 GLY 82 2HA GLY 82 16.395 -7.141 1.235 Start of MODEL 13 1 H SER 641 1H SER 641 46.743 2.959 -20.766 2 HA SER 641 HA SER 641 44.604 2.692 -21.096 3 HB2 SER 641 2HB SER 641 44.932 -0.219 -20.373 4 HB3 SER 641 1HB SER 641 43.869 0.494 -21.588 5 HG SER 641 HG SER 641 45.572 0.837 -22.908 6 H LEU 642 H LEU 642 43.423 3.755 -19.638 7 HA LEU 642 HA LEU 642 43.166 2.853 -16.914 8 HB2 LEU 642 2HB LEU 642 42.844 5.275 -18.299 9 HB3 LEU 642 1HB LEU 642 41.255 4.875 -17.676 10 HG LEU 642 HG LEU 642 42.556 4.488 -15.428 11 HD11 LEU 642 1HD1 LEU 642 44.734 4.909 -15.588 12 HD12 LEU 642 2HD1 LEU 642 44.558 5.680 -17.165 13 HD13 LEU 642 3HD1 LEU 642 44.291 6.612 -15.690 14 HD21 LEU 642 3HD2 LEU 642 40.818 6.246 -16.072 15 HD22 LEU 642 1HD2 LEU 642 41.912 6.629 -14.743 16 HD23 LEU 642 2HD2 LEU 642 42.189 7.324 -16.341 17 H GLN 643 H GLN 643 41.926 1.134 -16.494 18 HA GLN 643 HA GLN 643 39.520 0.649 -18.062 19 HB2 GLN 643 2HB GLN 643 40.630 -1.005 -15.790 20 HB3 GLN 643 1HB GLN 643 39.409 -1.494 -16.957 21 HG2 GLN 643 2HG GLN 643 42.303 -0.921 -17.548 22 HG3 GLN 643 1HG GLN 643 41.548 -2.511 -17.454 23 HE21 GLN 643 1HE2 GLN 643 42.791 -0.560 -19.575 24 HE22 GLN 643 2HE2 GLN 643 41.753 -0.799 -20.942 25 H ASN 644 H ASN 644 37.981 2.084 -17.420 26 HA ASN 644 HA ASN 644 37.436 2.443 -14.585 27 HB2 ASN 644 2HB ASN 644 37.281 4.272 -16.459 28 HB3 ASN 644 1HB ASN 644 35.689 3.571 -16.748 29 HD21 ASN 644 1HD2 ASN 644 34.749 5.552 -16.096 30 HD22 ASN 644 2HD2 ASN 644 34.626 5.964 -14.421 31 H ASN 645 H ASN 645 36.981 0.132 -14.381 32 HA ASN 645 HA ASN 645 34.630 -0.920 -15.659 33 HB2 ASN 645 2HB ASN 645 36.764 -1.963 -13.917 34 HB3 ASN 645 1HB ASN 645 35.190 -2.720 -13.696 35 HD21 ASN 645 1HD2 ASN 645 34.352 -4.009 -15.304 36 HD22 ASN 645 2HD2 ASN 645 35.262 -4.478 -16.700 37 H GLN 646 H GLN 646 32.733 -0.120 -15.050 38 HA GLN 646 HA GLN 646 32.181 0.324 -12.210 39 HB2 GLN 646 2HB GLN 646 31.190 1.436 -14.704 40 HB3 GLN 646 1HB GLN 646 29.870 0.908 -13.669 41 HG2 GLN 646 2HG GLN 646 32.059 2.840 -12.943 42 HG3 GLN 646 1HG GLN 646 30.370 3.228 -13.268 43 HE21 GLN 646 1HE2 GLN 646 32.638 2.071 -10.968 44 HE22 GLN 646 2HE2 GLN 646 31.546 1.918 -9.633 45 H ASP 647 H ASP 647 31.757 -1.931 -14.687 46 HA ASP 647 HA ASP 647 29.597 -3.336 -13.313 47 HB2 ASP 647 2HB ASP 647 29.238 -4.502 -15.261 48 HB3 ASP 647 1HB ASP 647 29.974 -3.056 -15.943 49 H VAL 648 H VAL 648 29.908 -5.670 -12.862 50 HA VAL 648 HA VAL 648 32.699 -6.385 -12.373 51 HB VAL 648 HB VAL 648 31.855 -5.459 -10.263 52 HG11 VAL 648 1HG1 VAL 648 29.889 -5.945 -9.321 53 HG12 VAL 648 2HG1 VAL 648 29.457 -6.601 -10.901 54 HG13 VAL 648 3HG1 VAL 648 30.060 -7.672 -9.637 55 HG21 VAL 648 3HG2 VAL 648 33.511 -6.995 -9.849 56 HG22 VAL 648 1HG2 VAL 648 32.183 -7.645 -8.888 57 HG23 VAL 648 2HG2 VAL 648 32.559 -8.348 -10.462 58 H SER 649 H SER 649 33.157 -8.356 -13.045 59 HA SER 649 HA SER 649 31.034 -10.082 -13.997 60 HB2 SER 649 2HB SER 649 33.610 -11.265 -14.299 61 HB3 SER 649 1HB SER 649 32.586 -10.551 -15.546 62 HG SER 649 HG SER 649 33.643 -8.673 -15.387 63 H PHE 650 H PHE 650 30.697 -10.030 -11.384 64 HA PHE 650 HA PHE 650 32.079 -12.378 -10.279 65 HB2 PHE 650 2HB PHE 650 30.981 -9.891 -9.077 66 HB3 PHE 650 1HB PHE 650 30.842 -11.364 -8.123 67 HD1 PHE 650 1HD PHE 650 33.655 -11.671 -10.177 68 HD2 PHE 650 2HD PHE 650 32.295 -9.723 -6.646 69 HE1 PHE 650 1HE PHE 650 35.983 -11.404 -9.432 70 HE2 PHE 650 2HE PHE 650 34.621 -9.455 -5.896 71 HZ PHE 650 HZ PHE 650 36.469 -10.297 -7.290 72 H GLU 651 H GLU 651 30.841 -13.967 -11.202 73 HA GLU 651 HA GLU 651 28.006 -13.914 -11.308 74 HB2 GLU 651 2HB GLU 651 29.604 -16.446 -11.419 75 HB3 GLU 651 1HB GLU 651 28.150 -16.018 -12.310 76 HG2 GLU 651 2HG GLU 651 29.580 -15.703 -14.003 77 HG3 GLU 651 1HG GLU 651 29.858 -14.144 -13.230 78 H ASN 652 H ASN 652 30.264 -14.897 -8.876 79 HA ASN 652 HA ASN 652 28.642 -16.670 -7.407 80 HB2 ASN 652 2HB ASN 652 30.659 -16.795 -6.417 81 HB3 ASN 652 1HB ASN 652 31.125 -15.195 -6.971 82 HD21 ASN 652 1HD2 ASN 652 31.363 -13.676 -5.502 83 HD22 ASN 652 2HD2 ASN 652 30.760 -13.733 -3.869 84 H ILE 653 H ILE 653 28.875 -13.163 -7.435 85 HA ILE 653 HA ILE 653 26.405 -13.066 -5.838 86 HB ILE 653 HB ILE 653 27.209 -10.559 -5.546 87 HG12 ILE 653 2HG1 ILE 653 29.887 -11.861 -5.330 88 HG13 ILE 653 1HG1 ILE 653 29.351 -11.339 -6.924 89 HG21 ILE 653 1HG2 ILE 653 27.178 -11.217 -3.433 90 HG22 ILE 653 2HG2 ILE 653 27.184 -12.891 -3.989 91 HG23 ILE 653 3HG2 ILE 653 28.707 -12.074 -3.637 92 HD11 ILE 653 3HD1 ILE 653 30.638 -9.798 -5.040 93 HD12 ILE 653 1HD1 ILE 653 29.780 -9.208 -6.465 94 HD13 ILE 653 2HD1 ILE 653 28.953 -9.293 -4.907 95 H GLN 654 H GLN 654 25.866 -13.594 -8.236 96 HA GLN 654 HA GLN 654 25.866 -11.520 -10.143 97 HB2 GLN 654 2HB GLN 654 25.559 -14.097 -10.385 98 HB3 GLN 654 1HB GLN 654 23.855 -13.738 -10.134 99 HG2 GLN 654 2HG GLN 654 25.103 -12.016 -12.105 100 HG3 GLN 654 1HG GLN 654 25.187 -13.726 -12.522 101 HE21 GLN 654 1HE2 GLN 654 23.647 -11.542 -13.732 102 HE22 GLN 654 2HE2 GLN 654 21.991 -12.061 -13.687 103 H TRP 655 H TRP 655 23.788 -12.276 -7.498 104 HA TRP 655 HA TRP 655 21.501 -10.888 -8.475 105 HB2 TRP 655 2HB TRP 655 20.452 -11.694 -6.649 106 HB3 TRP 655 1HB TRP 655 21.880 -12.702 -6.491 107 HD1 TRP 655 HD TRP 655 23.786 -11.733 -4.690 108 HE1 TRP 655 1HE TRP 655 23.398 -10.521 -2.447 109 HE3 TRP 655 3HE TRP 655 18.982 -10.173 -5.436 110 HZ2 TRP 655 2HZ TRP 655 21.328 -9.091 -1.173 111 HZ3 TRP 655 3HZ TRP 655 17.865 -8.893 -3.663 112 HH2 TRP 655 HH TRP 655 19.013 -8.361 -1.571 113 H SER 656 H SER 656 20.609 -8.939 -7.525 114 HA SER 656 HA SER 656 22.478 -6.831 -7.629 115 HB2 SER 656 2HB SER 656 19.720 -6.537 -6.455 116 HB3 SER 656 1HB SER 656 20.640 -5.382 -7.419 117 HG SER 656 HG SER 656 20.464 -7.133 -9.120 118 H ILE 657 H ILE 657 24.040 -7.187 -6.053 119 HA ILE 657 HA ILE 657 23.452 -7.463 -3.287 120 HB ILE 657 HB ILE 657 25.954 -6.725 -3.094 121 HG12 ILE 657 2HG1 ILE 657 26.670 -7.742 -5.640 122 HG13 ILE 657 1HG1 ILE 657 25.482 -6.471 -5.920 123 HG21 ILE 657 1HG2 ILE 657 25.655 -8.914 -2.589 124 HG22 ILE 657 2HG2 ILE 657 24.763 -9.252 -4.072 125 HG23 ILE 657 3HG2 ILE 657 26.521 -9.110 -4.113 126 HD11 ILE 657 3HD1 ILE 657 26.833 -4.857 -4.844 127 HD12 ILE 657 1HD1 ILE 657 27.908 -6.091 -4.188 128 HD13 ILE 657 2HD1 ILE 657 27.892 -5.763 -5.922 129 H ASP 658 H ASP 658 23.124 -4.887 -5.272 130 HA ASP 658 HA ASP 658 24.047 -2.728 -3.700 131 HB2 ASP 658 2HB ASP 658 22.739 -3.064 -6.182 132 HB3 ASP 658 1HB ASP 658 21.692 -2.028 -5.217 133 HA PRO 659 HA PRO 659 21.255 -3.313 -0.338 134 HB2 PRO 659 2HB PRO 659 21.699 -0.925 0.927 135 HB3 PRO 659 1HB PRO 659 22.797 -2.306 1.007 136 HG2 PRO 659 2HG PRO 659 22.948 0.139 -0.704 137 HG3 PRO 659 1HG PRO 659 24.246 -0.707 0.160 138 HD2 PRO 659 2HD PRO 659 23.853 -1.003 -2.492 139 HD3 PRO 659 1HD PRO 659 24.449 -2.327 -1.472 140 H GLY 660 H GLY 660 19.410 -3.170 -1.871 141 HA2 GLY 660 1HA GLY 660 17.232 -2.447 -2.092 142 HA3 GLY 660 2HA GLY 660 17.564 -1.239 -0.860 143 H ALA 661 H ALA 661 19.303 -1.597 -3.898 144 HA ALA 661 HA ALA 661 18.725 1.184 -4.506 145 HB1 ALA 661 1HB ALA 661 20.654 1.180 -5.627 146 HB2 ALA 661 2HB ALA 661 20.939 -0.383 -4.863 147 HB3 ALA 661 3HB ALA 661 20.257 -0.306 -6.487 148 H ASP 662 H ASP 662 17.748 -1.981 -5.511 149 HA ASP 662 HA ASP 662 16.064 -0.736 -7.584 150 HB2 ASP 662 2HB ASP 662 17.766 -1.990 -8.748 151 HB3 ASP 662 1HB ASP 662 17.491 -3.400 -7.728 152 H LEU 663 H LEU 663 14.153 -0.672 -6.649 153 HA LEU 663 HA LEU 663 13.042 -3.202 -5.625 154 HB2 LEU 663 2HB LEU 663 13.142 -0.536 -4.403 155 HB3 LEU 663 1HB LEU 663 11.534 -1.235 -4.425 156 HG LEU 663 HG LEU 663 12.647 -3.319 -3.371 157 HD11 LEU 663 1HD1 LEU 663 14.945 -2.803 -3.692 158 HD12 LEU 663 2HD1 LEU 663 14.763 -1.227 -2.922 159 HD13 LEU 663 3HD1 LEU 663 14.621 -2.699 -1.961 160 HD21 LEU 663 3HD2 LEU 663 11.503 -2.557 -1.631 161 HD22 LEU 663 1HD2 LEU 663 12.847 -1.489 -1.219 162 HD23 LEU 663 2HD2 LEU 663 11.564 -0.921 -2.287 163 H SER 664 H SER 664 13.089 -1.604 -8.223 164 HA SER 664 HA SER 664 10.519 -0.571 -8.718 165 HB2 SER 664 2HB SER 664 11.985 -1.687 -11.020 166 HB3 SER 664 1HB SER 664 11.370 -0.056 -10.756 167 HG SER 664 HG SER 664 13.829 -1.202 -9.946 168 H GLN 665 H GLN 665 11.794 -3.781 -8.778 169 HA GLN 665 HA GLN 665 9.636 -4.896 -10.336 170 HB2 GLN 665 2HB GLN 665 11.064 -6.883 -8.826 171 HB3 GLN 665 1HB GLN 665 11.047 -6.621 -10.563 172 HG2 GLN 665 2HG GLN 665 13.284 -6.439 -10.072 173 HG3 GLN 665 1HG GLN 665 12.775 -4.753 -10.041 174 HE21 GLN 665 1HE2 GLN 665 14.827 -6.620 -8.596 175 HE22 GLN 665 2HE2 GLN 665 14.719 -6.081 -6.959 176 H TYR 666 H TYR 666 10.566 -4.637 -6.968 177 HA TYR 666 HA TYR 666 8.558 -6.395 -5.959 178 HB2 TYR 666 2HB TYR 666 10.113 -4.248 -4.512 179 HB3 TYR 666 1HB TYR 666 9.221 -5.564 -3.762 180 HD1 TYR 666 2HD TYR 666 10.058 -7.856 -5.439 181 HD2 TYR 666 1HD TYR 666 12.311 -4.597 -3.883 182 HE1 TYR 666 2HE TYR 666 12.081 -9.251 -5.459 183 HE2 TYR 666 1HE TYR 666 14.340 -5.984 -3.894 184 HH TYR 666 HH TYR 666 14.873 -8.489 -5.541 185 H LYS 667 H LYS 667 8.437 -3.246 -7.138 186 HA LYS 667 HA LYS 667 6.774 -1.918 -5.335 187 HB2 LYS 667 2HB LYS 667 7.669 -1.523 -8.083 188 HB3 LYS 667 1HB LYS 667 6.061 -0.880 -7.782 189 HG2 LYS 667 2HG LYS 667 7.649 -0.091 -5.604 190 HG3 LYS 667 1HG LYS 667 8.598 0.209 -7.061 191 HD2 LYS 667 2HD LYS 667 5.728 1.029 -7.000 192 HD3 LYS 667 1HD LYS 667 6.918 2.015 -6.147 193 HE2 LYS 667 2HE LYS 667 8.245 2.031 -8.305 194 HE3 LYS 667 1HE LYS 667 6.817 1.343 -9.080 195 HZ1 LYS 667 3HZ LYS 667 7.136 4.003 -7.825 196 HZ2 LYS 667 1HZ LYS 667 5.597 3.332 -8.087 197 HZ3 LYS 667 2HZ LYS 667 6.630 3.627 -9.398 198 H MET 668 H MET 668 4.776 -2.214 -4.751 199 HA MET 668 HA MET 668 2.896 -3.511 -6.611 200 HB2 MET 668 2HB MET 668 3.088 -4.754 -4.541 201 HB3 MET 668 1HB MET 668 2.860 -3.293 -3.588 202 HG2 MET 668 2HG MET 668 0.627 -3.366 -3.778 203 HG3 MET 668 1HG MET 668 0.681 -3.911 -5.454 204 HE1 MET 668 3HE MET 668 1.467 -6.801 -1.941 205 HE2 MET 668 1HE MET 668 2.728 -5.822 -2.693 206 HE3 MET 668 2HE MET 668 1.435 -5.045 -1.779 207 H ASP 669 H ASP 669 1.708 -2.061 -7.654 208 HA ASP 669 HA ASP 669 1.376 0.607 -6.565 209 HB2 ASP 669 2HB ASP 669 1.951 0.147 -8.993 210 HB3 ASP 669 1HB ASP 669 0.294 -0.421 -9.189 211 H VAL 670 H VAL 670 -0.582 1.614 -6.165 212 HA VAL 670 HA VAL 670 -2.789 -0.248 -5.612 213 HB VAL 670 HB VAL 670 -2.470 2.498 -4.404 214 HG11 VAL 670 1HG1 VAL 670 -3.760 0.256 -2.980 215 HG12 VAL 670 2HG1 VAL 670 -4.202 1.962 -3.057 216 HG13 VAL 670 3HG1 VAL 670 -4.607 0.886 -4.391 217 HG21 VAL 670 3HG2 VAL 670 -0.621 0.517 -4.033 218 HG22 VAL 670 1HG2 VAL 670 -0.973 1.808 -2.881 219 HG23 VAL 670 2HG2 VAL 670 -1.742 0.230 -2.700 220 H THR 671 H THR 671 -4.256 -0.179 -7.209 221 HA THR 671 HA THR 671 -4.879 2.334 -8.537 222 HB THR 671 HB THR 671 -6.599 -0.001 -9.090 223 HG1 THR 671 1HG THR 671 -3.820 -0.059 -9.801 224 HG21 THR 671 3HG2 THR 671 -5.188 0.932 -11.361 225 HG22 THR 671 1HG2 THR 671 -5.628 2.344 -10.400 226 HG23 THR 671 2HG2 THR 671 -6.876 1.214 -10.931 227 H VAL 672 H VAL 672 -6.342 3.680 -7.706 228 HA VAL 672 HA VAL 672 -8.108 2.778 -5.594 229 HB VAL 672 HB VAL 672 -8.088 5.561 -6.728 230 HG11 VAL 672 1HG1 VAL 672 -8.938 4.245 -4.195 231 HG12 VAL 672 2HG1 VAL 672 -8.395 5.923 -4.140 232 HG13 VAL 672 3HG1 VAL 672 -9.760 5.471 -5.161 233 HG21 VAL 672 3HG2 VAL 672 -5.767 5.136 -6.369 234 HG22 VAL 672 1HG2 VAL 672 -6.340 6.089 -5.001 235 HG23 VAL 672 2HG2 VAL 672 -6.089 4.352 -4.823 236 H ILE 673 H ILE 673 -10.225 2.396 -5.778 237 HA ILE 673 HA ILE 673 -11.434 2.765 -8.415 238 HB ILE 673 HB ILE 673 -12.120 1.003 -6.078 239 HG12 ILE 673 2HG1 ILE 673 -12.315 -0.525 -8.297 240 HG13 ILE 673 1HG1 ILE 673 -11.162 0.677 -8.864 241 HG21 ILE 673 1HG2 ILE 673 -14.236 0.461 -6.928 242 HG22 ILE 673 2HG2 ILE 673 -14.170 2.222 -7.014 243 HG23 ILE 673 3HG2 ILE 673 -13.919 1.255 -8.471 244 HD11 ILE 673 3HD1 ILE 673 -10.639 -0.531 -6.223 245 HD12 ILE 673 1HD1 ILE 673 -10.439 -1.567 -7.636 246 HD13 ILE 673 2HD1 ILE 673 -9.520 -0.066 -7.505 247 H ASP 674 H ASP 674 -12.615 4.491 -8.749 248 HA ASP 674 HA ASP 674 -13.682 6.046 -6.562 249 HB2 ASP 674 2HB ASP 674 -12.758 7.159 -8.552 250 HB3 ASP 674 1HB ASP 674 -13.982 6.391 -9.555 251 H THR 675 H THR 675 -15.145 4.648 -5.611 252 HA THR 675 HA THR 675 -17.197 3.308 -7.029 253 HB THR 675 HB THR 675 -17.690 3.894 -4.189 254 HG1 THR 675 1HG THR 675 -15.886 2.738 -3.469 255 HG21 THR 675 3HG2 THR 675 -18.904 2.069 -4.698 256 HG22 THR 675 1HG2 THR 675 -17.388 1.190 -4.486 257 HG23 THR 675 2HG2 THR 675 -17.908 1.680 -6.099 258 H LYS 676 H LYS 676 -18.351 4.761 -8.267 259 HA LYS 676 HA LYS 676 -19.921 6.818 -6.908 260 HB2 LYS 676 2HB LYS 676 -18.880 7.298 -9.116 261 HB3 LYS 676 1HB LYS 676 -19.845 6.015 -9.829 262 HG2 LYS 676 2HG LYS 676 -20.948 8.004 -10.378 263 HG3 LYS 676 1HG LYS 676 -21.881 7.306 -9.054 264 HD2 LYS 676 2HD LYS 676 -21.727 9.532 -8.433 265 HD3 LYS 676 1HD LYS 676 -20.382 8.801 -7.551 266 HE2 LYS 676 2HE LYS 676 -19.617 10.835 -8.565 267 HE3 LYS 676 1HE LYS 676 -18.874 9.476 -9.400 268 HZ1 LYS 676 3HZ LYS 676 -21.146 11.133 -10.347 269 HZ2 LYS 676 1HZ LYS 676 -20.645 9.704 -11.110 270 HZ3 LYS 676 2HZ LYS 676 -19.593 11.029 -11.023 271 H ASP 677 H ASP 677 -20.054 3.591 -7.472 272 HA ASP 677 HA ASP 677 -22.906 3.391 -7.998 273 HB2 ASP 677 2HB ASP 677 -21.429 1.909 -9.240 274 HB3 ASP 677 1HB ASP 677 -20.748 1.289 -7.743 275 H GLY 678 H GLY 678 -24.102 3.766 -6.250 276 HA2 GLY 678 1HA GLY 678 -25.235 2.841 -4.406 277 HA3 GLY 678 2HA GLY 678 -23.819 1.869 -4.050 278 H SER 679 H SER 679 -22.712 4.922 -4.580 279 HA SER 679 HA SER 679 -22.337 5.374 -1.755 280 HB2 SER 679 2HB SER 679 -21.351 7.577 -3.206 281 HB3 SER 679 1HB SER 679 -20.427 6.207 -2.585 282 HG SER 679 HG SER 679 -20.037 6.044 -4.687 283 H GLN 680 H GLN 680 -24.585 6.332 -4.099 284 HA GLN 680 HA GLN 680 -25.267 8.795 -2.667 285 HB2 GLN 680 2HB GLN 680 -26.178 7.801 -5.371 286 HB3 GLN 680 1HB GLN 680 -26.609 9.345 -4.653 287 HG2 GLN 680 2HG GLN 680 -24.474 10.215 -4.917 288 HG3 GLN 680 1HG GLN 680 -23.740 8.621 -5.070 289 HE21 GLN 680 1HE2 GLN 680 -23.978 7.485 -7.028 290 HE22 GLN 680 2HE2 GLN 680 -24.338 8.310 -8.502 291 H SER 681 H SER 681 -26.748 8.609 -1.166 292 HA SER 681 HA SER 681 -28.535 6.351 -1.099 293 HB2 SER 681 2HB SER 681 -29.159 8.264 0.917 294 HB3 SER 681 1HB SER 681 -28.331 6.715 1.097 295 HG SER 681 HG SER 681 -27.319 9.199 1.267 296 H LYS 682 H LYS 682 -28.746 9.801 -1.750 297 HA LYS 682 HA LYS 682 -31.664 9.663 -1.852 298 HB2 LYS 682 2HB LYS 682 -29.773 11.705 -1.237 299 HB3 LYS 682 1HB LYS 682 -30.695 12.224 -2.641 300 HG2 LYS 682 2HG LYS 682 -32.443 11.098 -0.658 301 HG3 LYS 682 1HG LYS 682 -31.451 12.378 0.040 302 HD2 LYS 682 2HD LYS 682 -33.194 13.624 -0.765 303 HD3 LYS 682 1HD LYS 682 -32.133 13.638 -2.175 304 HE2 LYS 682 2HE LYS 682 -34.038 12.995 -3.225 305 HE3 LYS 682 1HE LYS 682 -33.500 11.403 -2.700 306 HZ1 LYS 682 3HZ LYS 682 -35.842 11.784 -2.197 307 HZ2 LYS 682 1HZ LYS 682 -35.435 13.127 -1.242 308 HZ3 LYS 682 2HZ LYS 682 -34.939 11.572 -0.777 309 H LEU 683 H LEU 683 -29.419 8.721 -3.885 310 HA LEU 683 HA LEU 683 -30.862 9.737 -6.238 311 HB2 LEU 683 2HB LEU 683 -27.909 9.395 -5.821 312 HB3 LEU 683 1HB LEU 683 -28.602 9.342 -7.433 313 HG LEU 683 HG LEU 683 -29.678 11.658 -6.386 314 HD11 LEU 683 1HD1 LEU 683 -28.181 12.796 -5.107 315 HD12 LEU 683 2HD1 LEU 683 -27.830 11.159 -4.551 316 HD13 LEU 683 3HD1 LEU 683 -26.793 11.922 -5.757 317 HD21 LEU 683 3HD2 LEU 683 -28.017 10.843 -8.500 318 HD22 LEU 683 1HD2 LEU 683 -28.883 12.369 -8.329 319 HD23 LEU 683 2HD2 LEU 683 -27.227 12.226 -7.743 320 H GLY 684 H GLY 684 -32.088 8.083 -6.822 321 HA2 GLY 684 1HA GLY 684 -32.299 6.075 -8.082 322 HA3 GLY 684 2HA GLY 684 -30.759 5.538 -7.425 323 H GLY 685 H GLY 685 -32.786 3.770 -7.417 324 HA2 GLY 685 1HA GLY 685 -33.421 2.184 -5.808 325 HA3 GLY 685 2HA GLY 685 -33.170 3.384 -4.550 326 H GLY 901 H GLY 901 -34.759 5.362 -4.889 327 HA2 GLY 901 1HA GLY 901 -37.416 4.214 -4.706 328 HA3 GLY 901 2HA GLY 901 -36.969 5.877 -4.351 329 H GLY 902 H GLY 902 -39.188 4.737 -5.967 330 HA2 GLY 902 1HA GLY 902 -40.295 5.935 -7.694 331 HA3 GLY 902 2HA GLY 902 -38.732 6.445 -8.316 332 H SER 903 H SER 903 -38.140 3.378 -7.727 333 HA SER 903 HA SER 903 -38.512 2.593 -10.465 334 HB2 SER 903 2HB SER 903 -37.583 0.665 -8.388 335 HB3 SER 903 1HB SER 903 -36.986 0.925 -10.028 336 HG SER 903 HG SER 903 -35.850 1.779 -7.899 337 H GLY 904 H GLY 904 -40.071 1.960 -7.409 338 HA2 GLY 904 1HA GLY 904 -42.477 1.127 -8.350 339 HA3 GLY 904 2HA GLY 904 -41.514 -0.343 -8.367 340 H GLY 905 H GLY 905 -43.390 -0.858 -6.854 341 HA2 GLY 905 1HA GLY 905 -43.304 0.288 -4.221 342 HA3 GLY 905 2HA GLY 905 -44.268 -1.090 -4.731 343 H HIS 906 H HIS 906 -41.646 -2.297 -5.789 344 HA HIS 906 HA HIS 906 -40.947 -3.559 -3.254 345 HB2 HIS 906 2HB HIS 906 -41.416 -4.720 -5.583 346 HB3 HIS 906 1HB HIS 906 -39.711 -4.377 -5.850 347 HD1 HIS 906 1HD HIS 906 -37.984 -5.694 -4.367 348 HD2 HIS 906 2HD HIS 906 -41.974 -6.706 -3.742 349 HE1 HIS 906 1HE HIS 906 -37.976 -7.826 -3.009 350 H MET 907 H MET 907 -39.821 -1.729 -2.393 351 HA MET 907 HA MET 907 -37.307 -1.022 -3.699 352 HB2 MET 907 2HB MET 907 -38.646 0.838 -2.887 353 HB3 MET 907 1HB MET 907 -38.702 0.137 -1.276 354 HG2 MET 907 2HG MET 907 -36.070 0.292 -1.530 355 HG3 MET 907 1HG MET 907 -36.510 1.579 -2.649 356 HE1 MET 907 3HE MET 907 -38.581 0.373 0.172 357 HE2 MET 907 1HE MET 907 -37.327 0.590 1.392 358 HE3 MET 907 2HE MET 907 -38.682 1.717 1.312 359 H GLY 908 H GLY 908 -35.871 -2.617 -3.351 360 HA2 GLY 908 1HA GLY 908 -35.043 -3.039 -0.579 361 HA3 GLY 908 2HA GLY 908 -35.456 -4.459 -1.532 362 H SER 909 H SER 909 -32.937 -4.027 -0.394 363 HA SER 909 HA SER 909 -31.104 -2.985 -2.304 364 HB2 SER 909 2HB SER 909 -29.803 -4.824 -0.572 365 HB3 SER 909 1HB SER 909 -29.812 -3.062 -0.470 366 HG SER 909 HG SER 909 -30.673 -3.731 1.435 367 H GLY 910 H GLY 910 -30.369 -3.938 -4.111 368 HA2 GLY 910 1HA GLY 910 -30.882 -6.792 -4.514 369 HA3 GLY 910 2HA GLY 910 -30.365 -5.644 -5.742 370 H GLY 911 H GLY 911 -28.273 -4.609 -3.881 371 HA2 GLY 911 1HA GLY 911 -26.386 -6.866 -4.142 372 HA3 GLY 911 2HA GLY 911 -25.939 -5.193 -4.443 373 H LEU 18 H LEU 18 -26.705 -7.575 -2.011 374 HA LEU 18 HA LEU 18 -25.801 -5.701 0.078 375 HB2 LEU 18 2HB LEU 18 -27.836 -7.795 -0.020 376 HB3 LEU 18 1HB LEU 18 -26.779 -7.941 1.371 377 HG LEU 18 HG LEU 18 -28.386 -5.486 0.650 378 HD11 LEU 18 1HD1 LEU 18 -30.016 -6.857 1.450 379 HD12 LEU 18 2HD1 LEU 18 -28.891 -7.832 2.394 380 HD13 LEU 18 3HD1 LEU 18 -29.392 -6.248 2.981 381 HD21 LEU 18 3HD2 LEU 18 -27.566 -4.461 2.559 382 HD22 LEU 18 1HD2 LEU 18 -27.007 -5.978 3.261 383 HD23 LEU 18 2HD2 LEU 18 -26.134 -5.257 1.907 384 H SER 19 H SER 19 -24.603 -8.001 -1.874 385 HA SER 19 HA SER 19 -22.950 -9.337 0.117 386 HB2 SER 19 2HB SER 19 -22.261 -10.018 -2.584 387 HB3 SER 19 1HB SER 19 -23.009 -11.027 -1.346 388 HG SER 19 HG SER 19 -24.920 -10.680 -2.198 389 H TRP 20 H TRP 20 -22.764 -6.908 -2.361 390 HA TRP 20 HA TRP 20 -21.144 -5.511 -3.097 391 HB2 TRP 20 2HB TRP 20 -19.676 -5.955 -0.512 392 HB3 TRP 20 1HB TRP 20 -19.774 -4.492 -1.485 393 HD1 TRP 20 HD TRP 20 -22.811 -3.981 -1.712 394 HE1 TRP 20 1HE TRP 20 -24.246 -3.473 0.361 395 HE3 TRP 20 3HE TRP 20 -19.779 -5.978 1.881 396 HZ2 TRP 20 2HZ TRP 20 -24.103 -3.858 3.153 397 HZ3 TRP 20 3HZ TRP 20 -20.494 -5.857 4.232 398 HH2 TRP 20 HH TRP 20 -22.616 -4.817 4.853 399 H LYS 21 H LYS 21 -18.503 -6.563 -1.307 400 HA LYS 21 HA LYS 21 -17.595 -8.432 -3.359 401 HB2 LYS 21 2HB LYS 21 -16.771 -5.765 -3.323 402 HB3 LYS 21 1HB LYS 21 -15.454 -6.646 -2.560 403 HG2 LYS 21 2HG LYS 21 -14.773 -6.831 -4.707 404 HG3 LYS 21 1HG LYS 21 -15.839 -8.239 -4.657 405 HD2 LYS 21 2HD LYS 21 -17.679 -6.626 -5.431 406 HD3 LYS 21 1HD LYS 21 -16.357 -5.527 -5.836 407 HE2 LYS 21 2HE LYS 21 -15.488 -6.985 -7.450 408 HE3 LYS 21 1HE LYS 21 -16.391 -8.364 -6.820 409 HZ1 LYS 21 3HZ LYS 21 -17.127 -6.985 -8.966 410 HZ2 LYS 21 1HZ LYS 21 -17.978 -6.117 -7.779 411 HZ3 LYS 21 2HZ LYS 21 -18.229 -7.786 -7.957 412 H ARG 22 H ARG 22 -16.134 -9.951 -2.629 413 HA ARG 22 HA ARG 22 -16.157 -10.381 0.217 414 HB2 ARG 22 2HB ARG 22 -16.214 -12.062 -1.866 415 HB3 ARG 22 1HB ARG 22 -14.480 -12.063 -1.574 416 HG2 ARG 22 2HG ARG 22 -16.370 -12.520 0.687 417 HG3 ARG 22 1HG ARG 22 -15.993 -13.830 -0.436 418 HD2 ARG 22 2HD ARG 22 -13.516 -12.825 0.116 419 HD3 ARG 22 1HD ARG 22 -14.347 -12.607 1.656 420 HE ARG 22 HE ARG 22 -14.905 -15.186 0.841 421 HH11 ARG 22 2HH1 ARG 22 -12.016 -13.322 1.522 422 HH12 ARG 22 1HH1 ARG 22 -11.141 -14.689 2.151 423 HH21 ARG 22 2HH2 ARG 22 -13.753 -16.967 1.630 424 HH22 ARG 22 1HH2 ARG 22 -12.125 -16.762 2.201 425 H CYS 23 H CYS 23 -14.538 -10.125 1.642 426 HA CYS 23 HA CYS 23 -12.346 -8.464 1.148 427 HB2 CYS 23 2HB CYS 23 -13.090 -10.321 3.361 428 HB3 CYS 23 1HB CYS 23 -11.485 -9.616 3.324 429 H ALA 24 H ALA 24 -10.120 -8.887 1.126 430 HA ALA 24 HA ALA 24 -9.384 -11.613 0.274 431 HB1 ALA 24 1HB ALA 24 -7.956 -9.026 -0.340 432 HB2 ALA 24 2HB ALA 24 -7.531 -10.629 -0.938 433 HB3 ALA 24 3HB ALA 24 -9.044 -9.873 -1.441 434 H GLY 25 H GLY 25 -8.798 -9.013 2.505 435 HA2 GLY 25 1HA GLY 25 -6.469 -10.418 3.622 436 HA3 GLY 25 2HA GLY 25 -6.890 -8.741 3.914 437 H CYS 26 H CYS 26 -9.552 -8.956 4.691 438 HA CYS 26 HA CYS 26 -9.212 -9.909 7.372 439 HB2 CYS 26 2HB CYS 26 -11.893 -9.125 6.297 440 HB3 CYS 26 1HB CYS 26 -11.220 -8.862 7.899 441 H GLY 27 H GLY 27 -12.197 -10.471 5.636 442 HA2 GLY 27 1HA GLY 27 -12.315 -13.022 4.915 443 HA3 GLY 27 2HA GLY 27 -12.231 -13.200 6.663 444 H GLY 28 H GLY 28 -13.966 -11.266 4.254 445 HA2 GLY 28 1HA GLY 28 -16.521 -12.240 4.929 446 HA3 GLY 28 2HA GLY 28 -16.238 -10.726 5.782 447 H LYS 29 H LYS 29 -17.460 -9.275 4.714 448 HA LYS 29 HA LYS 29 -16.848 -8.967 1.854 449 HB2 LYS 29 2HB LYS 29 -19.170 -7.532 2.193 450 HB3 LYS 29 1HB LYS 29 -19.051 -9.134 1.484 451 HG2 LYS 29 2HG LYS 29 -19.286 -9.923 3.968 452 HG3 LYS 29 1HG LYS 29 -19.994 -8.318 4.183 453 HD2 LYS 29 2HD LYS 29 -21.130 -9.377 1.837 454 HD3 LYS 29 1HD LYS 29 -21.156 -10.679 3.030 455 HE2 LYS 29 2HE LYS 29 -22.054 -7.924 3.773 456 HE3 LYS 29 1HE LYS 29 -23.138 -9.011 2.904 457 HZ1 LYS 29 3HZ LYS 29 -23.447 -10.273 4.703 458 HZ2 LYS 29 1HZ LYS 29 -22.883 -8.929 5.572 459 HZ3 LYS 29 2HZ LYS 29 -21.824 -10.202 5.187 460 H ILE 30 H ILE 30 -16.363 -6.966 1.104 461 HA ILE 30 HA ILE 30 -15.121 -5.210 2.944 462 HB ILE 30 HB ILE 30 -15.682 -5.024 -0.009 463 HG12 ILE 30 2HG1 ILE 30 -12.929 -5.001 1.004 464 HG13 ILE 30 1HG1 ILE 30 -13.830 -6.446 1.445 465 HG21 ILE 30 1HG2 ILE 30 -15.098 -2.859 1.740 466 HG22 ILE 30 2HG2 ILE 30 -13.680 -3.168 0.735 467 HG23 ILE 30 3HG2 ILE 30 -15.242 -2.851 -0.017 468 HD11 ILE 30 3HD1 ILE 30 -12.926 -5.510 -1.208 469 HD12 ILE 30 1HD1 ILE 30 -12.983 -7.136 -0.528 470 HD13 ILE 30 2HD1 ILE 30 -14.460 -6.379 -1.124 471 H ALA 31 H ALA 31 -16.230 -4.001 4.296 472 HA ALA 31 HA ALA 31 -18.739 -2.765 3.437 473 HB1 ALA 31 1HB ALA 31 -19.451 -2.896 5.568 474 HB2 ALA 31 2HB ALA 31 -18.184 -4.116 5.703 475 HB3 ALA 31 3HB ALA 31 -17.876 -2.462 6.235 476 H ASP 32 H ASP 32 -16.081 -1.818 2.614 477 HA ASP 32 HA ASP 32 -15.917 0.786 3.943 478 HB2 ASP 32 2HB ASP 32 -14.129 -0.706 2.039 479 HB3 ASP 32 1HB ASP 32 -13.966 1.037 2.219 480 H ARG 33 H ARG 33 -15.316 2.570 2.148 481 HA ARG 33 HA ARG 33 -17.549 2.514 0.252 482 HB2 ARG 33 2HB ARG 33 -17.428 4.447 1.781 483 HB3 ARG 33 1HB ARG 33 -15.827 4.835 1.160 484 HG2 ARG 33 2HG ARG 33 -16.636 5.662 -0.804 485 HG3 ARG 33 1HG ARG 33 -18.068 4.633 -0.780 486 HD2 ARG 33 2HD ARG 33 -17.707 6.806 1.249 487 HD3 ARG 33 1HD ARG 33 -18.335 7.169 -0.356 488 HE ARG 33 HE ARG 33 -19.766 5.009 0.754 489 HH11 ARG 33 2HH1 ARG 33 -19.329 8.457 1.192 490 HH12 ARG 33 1HH1 ARG 33 -20.942 8.715 1.785 491 HH21 ARG 33 2HH2 ARG 33 -21.895 5.335 1.514 492 HH22 ARG 33 1HH2 ARG 33 -22.405 6.932 1.961 493 H PHE 34 H PHE 34 -14.119 3.428 0.419 494 HA PHE 34 HA PHE 34 -13.949 3.104 -2.492 495 HB2 PHE 34 2HB PHE 34 -12.470 4.725 -0.497 496 HB3 PHE 34 1HB PHE 34 -11.530 4.089 -1.844 497 HD1 PHE 34 1HD PHE 34 -14.961 5.508 -1.493 498 HD2 PHE 34 2HD PHE 34 -11.201 5.659 -3.482 499 HE1 PHE 34 1HE PHE 34 -15.813 7.302 -2.941 500 HE2 PHE 34 2HE PHE 34 -12.037 7.467 -4.931 501 HZ PHE 34 HZ PHE 34 -14.347 8.286 -4.667 502 H LEU 35 H LEU 35 -13.096 1.334 -3.311 503 HA LEU 35 HA LEU 35 -11.535 -0.393 -1.540 504 HB2 LEU 35 2HB LEU 35 -11.883 -2.010 -3.588 505 HB3 LEU 35 1HB LEU 35 -13.126 -1.785 -2.373 506 HG LEU 35 HG LEU 35 -13.398 0.105 -4.567 507 HD11 LEU 35 1HD1 LEU 35 -13.366 -2.842 -5.153 508 HD12 LEU 35 2HD1 LEU 35 -14.269 -1.684 -6.130 509 HD13 LEU 35 3HD1 LEU 35 -12.516 -1.549 -5.997 510 HD21 LEU 35 3HD2 LEU 35 -15.088 -0.382 -2.840 511 HD22 LEU 35 1HD2 LEU 35 -15.689 -0.645 -4.477 512 HD23 LEU 35 2HD2 LEU 35 -15.232 -2.021 -3.475 513 H LEU 36 H LEU 36 -9.602 -1.352 -2.272 514 HA LEU 36 HA LEU 36 -8.175 0.330 -4.217 515 HB2 LEU 36 2HB LEU 36 -7.172 -1.034 -1.718 516 HB3 LEU 36 1HB LEU 36 -6.136 -0.253 -2.891 517 HG LEU 36 HG LEU 36 -6.320 1.338 -1.224 518 HD11 LEU 36 1HD1 LEU 36 -8.324 1.881 -3.371 519 HD12 LEU 36 2HD1 LEU 36 -8.043 3.051 -2.081 520 HD13 LEU 36 3HD1 LEU 36 -6.716 2.568 -3.139 521 HD21 LEU 36 3HD2 LEU 36 -9.042 1.764 -0.699 522 HD22 LEU 36 1HD2 LEU 36 -8.787 0.018 -0.640 523 HD23 LEU 36 2HD2 LEU 36 -7.821 1.087 0.379 524 H TYR 37 H TYR 37 -6.904 -0.636 -5.716 525 HA TYR 37 HA TYR 37 -7.024 -3.549 -5.985 526 HB2 TYR 37 2HB TYR 37 -6.663 -1.279 -7.769 527 HB3 TYR 37 1HB TYR 37 -5.446 -2.518 -8.034 528 HD1 TYR 37 2HD TYR 37 -6.889 -5.002 -7.627 529 HD2 TYR 37 1HD TYR 37 -8.161 -1.399 -9.487 530 HE1 TYR 37 2HE TYR 37 -8.475 -6.283 -8.999 531 HE2 TYR 37 1HE TYR 37 -9.751 -2.655 -10.859 532 HH TYR 37 HH TYR 37 -9.764 -5.324 -11.698 533 H ALA 38 H ALA 38 -5.201 -4.837 -6.006 534 HA ALA 38 HA ALA 38 -2.577 -3.670 -5.728 535 HB1 ALA 38 1HB ALA 38 -3.195 -3.617 -3.419 536 HB2 ALA 38 2HB ALA 38 -3.788 -5.277 -3.485 537 HB3 ALA 38 3HB ALA 38 -2.064 -4.951 -3.645 538 H MET 39 H MET 39 -3.125 -6.801 -4.403 539 HA MET 39 HA MET 39 -1.664 -7.984 -6.604 540 HB2 MET 39 2HB MET 39 -1.650 -8.427 -3.909 541 HB3 MET 39 1HB MET 39 -2.658 -9.753 -4.474 542 HG2 MET 39 2HG MET 39 -0.924 -10.581 -5.877 543 HG3 MET 39 1HG MET 39 0.057 -9.143 -5.605 544 HE1 MET 39 3HE MET 39 0.993 -9.332 -1.942 545 HE2 MET 39 1HE MET 39 -0.030 -8.374 -3.014 546 HE3 MET 39 2HE MET 39 -0.761 -9.493 -1.865 547 H ASP 40 H ASP 40 -3.936 -7.209 -7.696 548 HA ASP 40 HA ASP 40 -5.398 -8.007 -9.240 549 HB2 ASP 40 2HB ASP 40 -3.752 -10.143 -8.898 550 HB3 ASP 40 1HB ASP 40 -5.302 -10.841 -8.442 551 H SER 41 H SER 41 -5.801 -8.373 -5.942 552 HA SER 41 HA SER 41 -8.523 -9.431 -6.221 553 HB2 SER 41 2HB SER 41 -7.785 -9.139 -3.484 554 HB3 SER 41 1HB SER 41 -8.009 -10.631 -4.403 555 HG SER 41 HG SER 41 -5.807 -10.413 -5.089 556 H TYR 42 H TYR 42 -10.108 -8.467 -4.622 557 HA TYR 42 HA TYR 42 -9.949 -5.555 -4.769 558 HB2 TYR 42 2HB TYR 42 -12.185 -7.485 -4.176 559 HB3 TYR 42 1HB TYR 42 -12.345 -5.765 -3.854 560 HD1 TYR 42 1HD TYR 42 -11.118 -7.902 -6.673 561 HD2 TYR 42 2HD TYR 42 -13.491 -4.592 -5.460 562 HE1 TYR 42 1HE TYR 42 -11.788 -7.535 -9.006 563 HE2 TYR 42 2HE TYR 42 -14.168 -4.215 -7.793 564 HH TYR 42 HH TYR 42 -13.130 -6.410 -10.377 565 H TRP 43 H TRP 43 -9.204 -4.440 -3.107 566 HA TRP 43 HA TRP 43 -9.519 -5.576 -0.403 567 HB2 TRP 43 2HB TRP 43 -7.308 -3.667 -1.120 568 HB3 TRP 43 1HB TRP 43 -7.413 -4.761 0.251 569 HD1 TRP 43 HD TRP 43 -6.911 -4.943 -3.589 570 HE1 TRP 43 1HE TRP 43 -5.414 -6.968 -4.093 571 HE3 TRP 43 3HE TRP 43 -6.431 -6.807 1.147 572 HZ2 TRP 43 2HZ TRP 43 -4.161 -9.056 -2.679 573 HZ3 TRP 43 3HZ TRP 43 -5.055 -8.817 1.483 574 HH2 TRP 43 HH TRP 43 -3.945 -9.917 -0.395 575 H HIS 44 H HIS 44 -9.770 -4.025 1.309 576 HA HIS 44 HA HIS 44 -10.366 -1.273 0.402 577 HB2 HIS 44 2HB HIS 44 -11.860 -1.081 2.445 578 HB3 HIS 44 1HB HIS 44 -12.467 -2.119 1.164 579 HD1 HIS 44 1HD HIS 44 -13.027 -2.238 4.458 580 HD2 HIS 44 2HD HIS 44 -10.839 -4.806 2.022 581 HE1 HIS 44 1HE HIS 44 -12.947 -4.523 5.625 582 H SER 45 H SER 45 -10.449 -0.062 2.929 583 HA SER 45 HA SER 45 -7.707 0.368 3.354 584 HB2 SER 45 2HB SER 45 -9.588 1.065 5.540 585 HB3 SER 45 1HB SER 45 -8.372 2.056 4.731 586 HG SER 45 HG SER 45 -11.010 1.432 3.909 587 H ARG 46 H ARG 46 -9.941 -1.865 4.839 588 HA ARG 46 HA ARG 46 -8.098 -2.491 6.994 589 HB2 ARG 46 2HB ARG 46 -10.894 -2.702 6.617 590 HB3 ARG 46 1HB ARG 46 -10.282 -4.335 6.848 591 HG2 ARG 46 2HG ARG 46 -9.146 -2.426 8.722 592 HG3 ARG 46 1HG ARG 46 -10.903 -2.549 8.831 593 HD2 ARG 46 2HD ARG 46 -9.103 -4.960 8.808 594 HD3 ARG 46 1HD ARG 46 -9.562 -4.132 10.296 595 HE ARG 46 HE ARG 46 -11.191 -5.885 8.708 596 HH11 ARG 46 2HH1 ARG 46 -11.230 -3.229 11.001 597 HH12 ARG 46 1HH1 ARG 46 -12.867 -3.532 11.515 598 HH21 ARG 46 2HH2 ARG 46 -13.328 -6.312 9.418 599 HH22 ARG 46 1HH2 ARG 46 -14.051 -5.287 10.629 600 H CYS 47 H CYS 47 -8.901 -3.699 3.859 601 HA CYS 47 HA CYS 47 -7.732 -6.312 4.356 602 HB2 CYS 47 2HB CYS 47 -9.329 -5.065 2.233 603 HB3 CYS 47 1HB CYS 47 -8.027 -6.076 1.622 604 H LEU 48 H LEU 48 -7.100 -3.491 2.295 605 HA LEU 48 HA LEU 48 -4.474 -4.408 1.586 606 HB2 LEU 48 2HB LEU 48 -6.339 -2.638 0.520 607 HB3 LEU 48 1HB LEU 48 -5.038 -1.604 1.066 608 HG LEU 48 HG LEU 48 -5.197 -3.258 -1.289 609 HD11 LEU 48 1HD1 LEU 48 -4.480 -0.795 -0.794 610 HD12 LEU 48 2HD1 LEU 48 -2.886 -1.525 -0.603 611 HD13 LEU 48 3HD1 LEU 48 -3.760 -1.700 -2.126 612 HD21 LEU 48 3HD2 LEU 48 -3.208 -4.044 0.734 613 HD22 LEU 48 1HD2 LEU 48 -3.854 -4.945 -0.637 614 HD23 LEU 48 2HD2 LEU 48 -2.572 -3.760 -0.886 615 H LYS 49 H LYS 49 -3.489 -4.570 3.636 616 HA LYS 49 HA LYS 49 -2.336 -2.029 4.473 617 HB2 LYS 49 2HB LYS 49 -2.543 -3.129 6.913 618 HB3 LYS 49 1HB LYS 49 -3.755 -2.034 6.271 619 HG2 LYS 49 2HG LYS 49 -5.159 -3.668 6.928 620 HG3 LYS 49 1HG LYS 49 -4.734 -4.364 5.363 621 HD2 LYS 49 2HD LYS 49 -2.810 -5.505 6.657 622 HD3 LYS 49 1HD LYS 49 -3.752 -5.109 8.097 623 HE2 LYS 49 2HE LYS 49 -5.336 -6.653 7.640 624 HE3 LYS 49 1HE LYS 49 -5.265 -6.357 5.903 625 HZ1 LYS 49 3HZ LYS 49 -3.119 -7.600 5.915 626 HZ2 LYS 49 1HZ LYS 49 -4.480 -8.541 6.280 627 HZ3 LYS 49 2HZ LYS 49 -3.439 -8.045 7.520 628 H CYS 50 H CYS 50 -0.539 -2.513 6.119 629 HA CYS 50 HA CYS 50 1.207 -4.495 5.031 630 HB2 CYS 50 2HB CYS 50 2.037 -2.372 5.900 631 HB3 CYS 50 1HB CYS 50 1.392 -2.750 7.490 632 H SER 51 H SER 51 1.541 -6.527 5.744 633 HA SER 51 HA SER 51 -0.250 -7.598 7.730 634 HB2 SER 51 2HB SER 51 2.016 -9.182 6.570 635 HB3 SER 51 1HB SER 51 0.370 -9.693 6.953 636 HG SER 51 HG SER 51 1.278 -8.165 4.742 637 H SER 52 H SER 52 2.582 -5.957 7.970 638 HA SER 52 HA SER 52 3.620 -7.582 10.173 639 HB2 SER 52 2HB SER 52 5.269 -5.308 9.410 640 HB3 SER 52 1HB SER 52 5.680 -7.025 9.478 641 HG SER 52 HG SER 52 4.449 -5.595 7.352 642 H CYS 53 H CYS 53 2.893 -4.142 9.424 643 HA CYS 53 HA CYS 53 2.751 -3.730 12.337 644 HB2 CYS 53 2HB CYS 53 3.350 -1.412 12.001 645 HB3 CYS 53 1HB CYS 53 4.548 -2.443 11.230 646 H GLN 54 H GLN 54 0.913 -3.939 9.582 647 HA GLN 54 HA GLN 54 -1.283 -3.648 9.145 648 HB2 GLN 54 2HB GLN 54 -1.386 -3.043 12.100 649 HB3 GLN 54 1HB GLN 54 -2.813 -3.111 11.078 650 HG2 GLN 54 2HG GLN 54 -1.030 -5.449 10.955 651 HG3 GLN 54 1HG GLN 54 -1.873 -5.191 12.482 652 HE21 GLN 54 1HE2 GLN 54 -4.194 -3.956 11.237 653 HE22 GLN 54 2HE2 GLN 54 -5.069 -5.241 10.464 654 H ALA 55 H ALA 55 0.676 -1.406 9.010 655 HA ALA 55 HA ALA 55 -0.652 1.020 9.585 656 HB1 ALA 55 1HB ALA 55 1.577 0.287 7.712 657 HB2 ALA 55 2HB ALA 55 0.913 1.921 7.758 658 HB3 ALA 55 3HB ALA 55 1.646 1.226 9.204 659 H GLN 56 H GLN 56 -1.752 2.449 8.172 660 HA GLN 56 HA GLN 56 -3.669 1.194 6.544 661 HB2 GLN 56 2HB GLN 56 -3.032 3.908 7.440 662 HB3 GLN 56 1HB GLN 56 -3.790 3.843 5.852 663 HG2 GLN 56 2HG GLN 56 -4.857 2.757 8.437 664 HG3 GLN 56 1HG GLN 56 -5.502 4.074 7.463 665 HE21 GLN 56 1HE2 GLN 56 -5.665 0.808 8.136 666 HE22 GLN 56 2HE2 GLN 56 -6.609 0.303 6.768 667 H LEU 57 H LEU 57 -3.078 0.205 4.742 668 HA LEU 57 HA LEU 57 -1.346 1.608 2.839 669 HB2 LEU 57 2HB LEU 57 -1.859 -1.188 3.501 670 HB3 LEU 57 1HB LEU 57 -1.926 -0.884 1.778 671 HG LEU 57 HG LEU 57 0.330 0.065 1.869 672 HD11 LEU 57 1HD1 LEU 57 0.259 -0.772 4.753 673 HD12 LEU 57 2HD1 LEU 57 1.700 -0.256 3.876 674 HD13 LEU 57 3HD1 LEU 57 0.376 0.878 4.137 675 HD21 LEU 57 3HD2 LEU 57 1.164 -1.956 1.483 676 HD22 LEU 57 1HD2 LEU 57 0.893 -2.465 3.151 677 HD23 LEU 57 2HD2 LEU 57 -0.411 -2.585 1.970 678 H GLY 58 H GLY 58 -4.560 1.122 3.545 679 HA2 GLY 58 1HA GLY 58 -5.469 1.038 0.782 680 HA3 GLY 58 2HA GLY 58 -6.477 0.925 2.218 681 H ASP 59 H ASP 59 -6.113 3.105 3.632 682 HA ASP 59 HA ASP 59 -7.279 5.112 1.933 683 HB2 ASP 59 2HB ASP 59 -7.845 4.465 4.445 684 HB3 ASP 59 1HB ASP 59 -6.633 5.698 4.781 685 H ILE 60 H ILE 60 -4.250 4.300 2.487 686 HA ILE 60 HA ILE 60 -3.255 7.026 2.007 687 HB ILE 60 HB ILE 60 -1.666 4.894 3.439 688 HG12 ILE 60 2HG1 ILE 60 -3.724 5.656 4.727 689 HG13 ILE 60 1HG1 ILE 60 -2.181 5.874 5.541 690 HG21 ILE 60 1HG2 ILE 60 -0.016 6.294 2.876 691 HG22 ILE 60 2HG2 ILE 60 -1.134 7.600 2.481 692 HG23 ILE 60 3HG2 ILE 60 -0.655 7.327 4.155 693 HD11 ILE 60 3HD1 ILE 60 -3.695 7.785 5.826 694 HD12 ILE 60 1HD1 ILE 60 -2.197 8.232 5.009 695 HD13 ILE 60 2HD1 ILE 60 -3.684 8.036 4.082 696 H GLY 61 H GLY 61 -1.879 7.213 0.281 697 HA2 GLY 61 1HA GLY 61 -1.810 4.956 -1.526 698 HA3 GLY 61 2HA GLY 61 -1.235 6.583 -1.860 699 H THR 62 H THR 62 -0.350 4.255 0.663 700 HA THR 62 HA THR 62 2.444 4.790 0.275 701 HB THR 62 HB THR 62 1.861 2.430 1.862 702 HG1 THR 62 1HG THR 62 0.155 3.136 2.892 703 HG21 THR 62 3HG2 THR 62 3.834 4.181 1.840 704 HG22 THR 62 1HG2 THR 62 3.360 3.365 3.329 705 HG23 THR 62 2HG2 THR 62 2.810 5.012 3.013 706 H SER 63 H SER 63 3.580 3.905 -1.297 707 HA SER 63 HA SER 63 2.751 1.695 -2.842 708 HB2 SER 63 2HB SER 63 5.632 2.280 -2.858 709 HB3 SER 63 1HB SER 63 4.472 2.293 -4.186 710 HG SER 63 HG SER 63 3.818 4.356 -3.568 711 H SER 64 H SER 64 2.716 -0.347 -2.194 712 HA SER 64 HA SER 64 4.405 -1.199 0.016 713 HB2 SER 64 2HB SER 64 2.777 -3.317 -0.992 714 HB3 SER 64 1HB SER 64 2.591 -2.424 0.521 715 HG SER 64 HG SER 64 1.383 -0.861 -0.637 716 H TYR 65 H TYR 65 5.396 -3.424 -0.191 717 HA TYR 65 HA TYR 65 6.310 -3.946 -2.933 718 HB2 TYR 65 2HB TYR 65 8.055 -3.944 -0.463 719 HB3 TYR 65 1HB TYR 65 8.568 -4.429 -2.075 720 HD1 TYR 65 2HD TYR 65 8.335 -2.615 -3.938 721 HD2 TYR 65 1HD TYR 65 8.342 -1.759 0.224 722 HE1 TYR 65 2HE TYR 65 8.990 -0.295 -4.422 723 HE2 TYR 65 1HE TYR 65 8.994 0.559 -0.247 724 HH TYR 65 HH TYR 65 9.500 1.692 -3.588 725 H THR 66 H THR 66 6.808 -6.106 -3.387 726 HA THR 66 HA THR 66 5.868 -8.031 -1.364 727 HB THR 66 HB THR 66 4.249 -7.654 -3.259 728 HG1 THR 66 1HG THR 66 3.883 -9.907 -3.533 729 HG21 THR 66 3HG2 THR 66 5.138 -7.503 -5.307 730 HG22 THR 66 1HG2 THR 66 5.230 -9.263 -5.266 731 HG23 THR 66 2HG2 THR 66 6.632 -8.297 -4.809 732 H LYS 67 H LYS 67 6.525 -10.323 -2.098 733 HA LYS 67 HA LYS 67 8.884 -10.672 -3.635 734 HB2 LYS 67 2HB LYS 67 9.524 -9.704 -1.204 735 HB3 LYS 67 1HB LYS 67 9.414 -11.416 -0.807 736 HG2 LYS 67 2HG LYS 67 11.044 -11.925 -2.558 737 HG3 LYS 67 1HG LYS 67 11.164 -10.204 -2.935 738 HD2 LYS 67 2HD LYS 67 11.777 -9.910 -0.457 739 HD3 LYS 67 1HD LYS 67 12.042 -11.654 -0.457 740 HE2 LYS 67 2HE LYS 67 14.148 -10.946 -0.964 741 HE3 LYS 67 1HE LYS 67 13.486 -11.074 -2.592 742 HZ1 LYS 67 3HZ LYS 67 14.173 -8.969 -2.804 743 HZ2 LYS 67 1HZ LYS 67 14.344 -8.742 -1.129 744 HZ3 LYS 67 2HZ LYS 67 12.825 -8.552 -1.862 745 H SER 68 H SER 68 7.332 -12.052 -0.754 746 HA SER 68 HA SER 68 7.039 -14.595 -2.190 747 HB2 SER 68 2HB SER 68 6.481 -14.543 0.707 748 HB3 SER 68 1HB SER 68 7.447 -15.678 -0.241 749 HG SER 68 HG SER 68 9.139 -14.179 -0.241 750 H GLY 69 H GLY 69 5.279 -12.320 -2.607 751 HA2 GLY 69 1HA GLY 69 3.014 -12.019 -2.944 752 HA3 GLY 69 2HA GLY 69 2.765 -13.643 -2.316 753 H MET 70 H MET 70 4.442 -11.198 -0.493 754 HA MET 70 HA MET 70 2.233 -11.219 1.445 755 HB2 MET 70 2HB MET 70 4.761 -12.075 1.888 756 HB3 MET 70 1HB MET 70 4.937 -10.381 2.324 757 HG2 MET 70 2HG MET 70 4.043 -10.786 4.300 758 HG3 MET 70 1HG MET 70 2.564 -11.359 3.533 759 HE1 MET 70 3HE MET 70 5.772 -13.637 5.667 760 HE2 MET 70 1HE MET 70 6.368 -13.166 4.075 761 HE3 MET 70 2HE MET 70 5.755 -11.940 5.183 762 H ILE 71 H ILE 71 1.400 -9.319 2.134 763 HA ILE 71 HA ILE 71 2.266 -6.908 0.750 764 HB ILE 71 HB ILE 71 0.025 -6.897 2.727 765 HG12 ILE 71 2HG1 ILE 71 -0.881 -7.547 0.043 766 HG13 ILE 71 1HG1 ILE 71 0.140 -8.819 0.708 767 HG21 ILE 71 1HG2 ILE 71 0.859 -5.370 0.327 768 HG22 ILE 71 2HG2 ILE 71 -0.870 -5.499 0.660 769 HG23 ILE 71 3HG2 ILE 71 0.212 -4.802 1.867 770 HD11 ILE 71 3HD1 ILE 71 -2.103 -7.688 2.322 771 HD12 ILE 71 1HD1 ILE 71 -2.405 -8.915 1.090 772 HD13 ILE 71 2HD1 ILE 71 -1.322 -9.266 2.436 773 H LEU 72 H LEU 72 3.809 -5.714 1.636 774 HA LEU 72 HA LEU 72 3.700 -5.173 4.521 775 HB2 LEU 72 2HB LEU 72 6.353 -5.425 3.155 776 HB3 LEU 72 1HB LEU 72 5.966 -5.564 4.860 777 HG LEU 72 HG LEU 72 4.637 -7.675 3.469 778 HD11 LEU 72 1HD1 LEU 72 6.941 -6.926 2.101 779 HD12 LEU 72 2HD1 LEU 72 7.424 -8.308 3.089 780 HD13 LEU 72 3HD1 LEU 72 6.071 -8.456 1.966 781 HD21 LEU 72 3HD2 LEU 72 6.185 -7.228 5.798 782 HD22 LEU 72 1HD2 LEU 72 5.194 -8.628 5.389 783 HD23 LEU 72 2HD2 LEU 72 6.896 -8.587 4.929 784 H CYS 73 H CYS 73 4.615 -3.128 5.126 785 HA CYS 73 HA CYS 73 4.129 -1.117 3.150 786 HB2 CYS 73 2HB CYS 73 4.519 0.484 4.931 787 HB3 CYS 73 1HB CYS 73 3.493 -0.821 5.521 788 H ARG 74 H ARG 74 5.701 0.797 3.111 789 HA ARG 74 HA ARG 74 8.011 0.026 1.722 790 HB2 ARG 74 2HB ARG 74 6.746 2.523 2.577 791 HB3 ARG 74 1HB ARG 74 8.499 2.625 2.514 792 HG2 ARG 74 2HG ARG 74 8.000 1.423 0.155 793 HG3 ARG 74 1HG ARG 74 6.536 2.388 0.343 794 HD2 ARG 74 2HD ARG 74 8.570 3.435 -0.851 795 HD3 ARG 74 1HD ARG 74 7.701 4.392 0.348 796 HE ARG 74 HE ARG 74 9.493 4.012 1.892 797 HH11 ARG 74 2HH1 ARG 74 10.134 2.860 -1.363 798 HH12 ARG 74 1HH1 ARG 74 11.857 2.940 -1.182 799 HH21 ARG 74 2HH2 ARG 74 11.771 4.076 2.141 800 HH22 ARG 74 1HH2 ARG 74 12.794 3.636 0.796 801 H ASN 75 H ASN 75 7.454 0.858 5.062 802 HA ASN 75 HA ASN 75 10.263 1.121 5.679 803 HB2 ASN 75 2HB ASN 75 8.648 2.531 6.847 804 HB3 ASN 75 1HB ASN 75 7.812 1.109 7.462 805 HD21 ASN 75 1HD2 ASN 75 8.326 0.491 9.439 806 HD22 ASN 75 2HD2 ASN 75 9.788 0.881 10.284 807 H ASP 76 H ASP 76 7.778 -1.323 5.928 808 HA ASP 76 HA ASP 76 9.268 -2.916 7.815 809 HB2 ASP 76 2HB ASP 76 6.577 -2.887 6.755 810 HB3 ASP 76 1HB ASP 76 7.245 -4.517 6.755 811 H TYR 77 H TYR 77 8.635 -2.964 4.354 812 HA TYR 77 HA TYR 77 9.310 -5.598 3.802 813 HB2 TYR 77 2HB TYR 77 8.287 -4.106 2.153 814 HB3 TYR 77 1HB TYR 77 9.783 -3.180 2.052 815 HD1 TYR 77 1HD TYR 77 8.677 -6.745 1.780 816 HD2 TYR 77 2HD TYR 77 11.165 -3.638 0.267 817 HE1 TYR 77 1HE TYR 77 9.493 -8.258 0.025 818 HE2 TYR 77 2HE TYR 77 11.993 -5.148 -1.488 819 HH TYR 77 HH TYR 77 10.516 -7.834 -2.429 820 H ILE 78 H ILE 78 11.432 -2.794 4.100 821 HA ILE 78 HA ILE 78 13.761 -4.087 3.121 822 HB ILE 78 HB ILE 78 13.714 -1.723 4.993 823 HG12 ILE 78 2HG1 ILE 78 13.576 -1.621 1.976 824 HG13 ILE 78 1HG1 ILE 78 12.151 -1.503 3.003 825 HG21 ILE 78 1HG2 ILE 78 15.640 -2.009 2.755 826 HG22 ILE 78 2HG2 ILE 78 15.858 -1.301 4.356 827 HG23 ILE 78 3HG2 ILE 78 15.859 -3.053 4.157 828 HD11 ILE 78 3HD1 ILE 78 12.842 0.553 3.896 829 HD12 ILE 78 1HD1 ILE 78 14.483 0.362 3.276 830 HD13 ILE 78 2HD1 ILE 78 13.147 0.660 2.161 831 H ARG 79 H ARG 79 12.367 -3.723 6.325 832 HA ARG 79 HA ARG 79 14.644 -4.899 7.649 833 HB2 ARG 79 2HB ARG 79 12.554 -3.308 8.481 834 HB3 ARG 79 1HB ARG 79 12.109 -4.883 9.124 835 HG2 ARG 79 2HG ARG 79 14.903 -4.009 9.549 836 HG3 ARG 79 1HG ARG 79 13.647 -3.158 10.449 837 HD2 ARG 79 2HD ARG 79 14.151 -4.871 11.900 838 HD3 ARG 79 1HD ARG 79 12.811 -5.574 10.997 839 HE ARG 79 HE ARG 79 14.956 -6.387 9.584 840 HH11 ARG 79 2HH1 ARG 79 14.184 -6.534 12.999 841 HH12 ARG 79 1HH1 ARG 79 15.098 -7.996 13.264 842 HH21 ARG 79 2HH2 ARG 79 16.165 -8.272 9.918 843 HH22 ARG 79 1HH2 ARG 79 16.242 -8.979 11.507 844 H LEU 80 H LEU 80 11.464 -5.913 6.572 845 HA LEU 80 HA LEU 80 11.428 -8.437 7.843 846 HB2 LEU 80 2HB LEU 80 9.703 -6.900 6.235 847 HB3 LEU 80 1HB LEU 80 9.921 -8.416 5.381 848 HG LEU 80 HG LEU 80 7.953 -8.515 6.800 849 HD11 LEU 80 1HD1 LEU 80 9.932 -10.399 6.687 850 HD12 LEU 80 2HD1 LEU 80 9.655 -10.242 8.423 851 HD13 LEU 80 3HD1 LEU 80 8.316 -10.649 7.349 852 HD21 LEU 80 3HD2 LEU 80 7.843 -7.722 8.879 853 HD22 LEU 80 1HD2 LEU 80 9.347 -8.514 9.354 854 HD23 LEU 80 2HD2 LEU 80 9.392 -6.950 8.538 855 H PHE 81 H PHE 81 12.026 -7.597 4.425 856 HA PHE 81 HA PHE 81 13.338 -10.220 4.130 857 HB2 PHE 81 2HB PHE 81 11.827 -8.554 2.112 858 HB3 PHE 81 1HB PHE 81 12.810 -9.946 1.673 859 HD1 PHE 81 2HD PHE 81 12.102 -12.192 2.213 860 HD2 PHE 81 1HD PHE 81 9.729 -8.825 3.281 861 HE1 PHE 81 2HE PHE 81 10.190 -13.683 2.647 862 HE2 PHE 81 1HE PHE 81 7.811 -10.309 3.715 863 HZ PHE 81 HZ PHE 81 8.045 -12.744 3.399 864 H GLY 82 H GLY 82 13.373 -7.055 2.481 865 HA2 GLY 82 1HA GLY 82 15.148 -5.785 1.745 866 HA3 GLY 82 2HA GLY 82 16.202 -6.754 2.770 Start of MODEL 14 1 H SER 641 1H SER 641 31.805 -4.928 19.676 2 HA SER 641 HA SER 641 32.542 -4.663 21.702 3 HB2 SER 641 2HB SER 641 35.200 -3.592 20.920 4 HB3 SER 641 1HB SER 641 34.793 -4.921 22.008 5 HG SER 641 HG SER 641 35.428 -6.086 20.361 6 H LEU 642 H LEU 642 32.664 -3.163 23.358 7 HA LEU 642 HA LEU 642 32.598 -1.177 24.435 8 HB2 LEU 642 2HB LEU 642 34.155 -0.444 22.016 9 HB3 LEU 642 1HB LEU 642 33.479 0.868 22.961 10 HG LEU 642 HG LEU 642 34.841 -1.085 24.628 11 HD11 LEU 642 1HD1 LEU 642 36.937 -1.111 23.783 12 HD12 LEU 642 2HD1 LEU 642 36.066 -0.950 22.258 13 HD13 LEU 642 3HD1 LEU 642 36.770 0.474 23.022 14 HD21 LEU 642 3HD2 LEU 642 34.216 1.071 25.454 15 HD22 LEU 642 1HD2 LEU 642 35.976 0.987 25.403 16 HD23 LEU 642 2HD2 LEU 642 35.097 1.878 24.159 17 H GLN 643 H GLN 643 31.959 -0.095 21.091 18 HA GLN 643 HA GLN 643 29.676 1.405 22.008 19 HB2 GLN 643 2HB GLN 643 31.398 1.467 19.751 20 HB3 GLN 643 1HB GLN 643 29.759 1.233 19.156 21 HG2 GLN 643 2HG GLN 643 30.719 3.460 20.942 22 HG3 GLN 643 1HG GLN 643 30.288 3.582 19.237 23 HE21 GLN 643 1HE2 GLN 643 29.226 4.284 22.200 24 HE22 GLN 643 2HE2 GLN 643 27.516 4.206 21.947 25 H ASN 644 H ASN 644 28.077 0.102 22.684 26 HA ASN 644 HA ASN 644 27.308 -2.249 21.213 27 HB2 ASN 644 2HB ASN 644 27.120 -1.555 23.842 28 HB3 ASN 644 1HB ASN 644 25.472 -1.252 23.299 29 HD21 ASN 644 1HD2 ASN 644 27.639 -3.553 24.370 30 HD22 ASN 644 2HD2 ASN 644 26.733 -4.978 23.982 31 H ASN 645 H ASN 645 26.896 -1.006 19.216 32 HA ASN 645 HA ASN 645 24.057 -0.585 18.949 33 HB2 ASN 645 2HB ASN 645 23.992 1.649 18.709 34 HB3 ASN 645 1HB ASN 645 25.602 1.679 19.411 35 HD21 ASN 645 1HD2 ASN 645 27.375 1.995 18.087 36 HD22 ASN 645 2HD2 ASN 645 27.228 2.565 16.459 37 H GLN 646 H GLN 646 23.347 -0.772 16.777 38 HA GLN 646 HA GLN 646 25.369 -2.073 15.076 39 HB2 GLN 646 2HB GLN 646 22.371 -2.391 14.904 40 HB3 GLN 646 1HB GLN 646 23.596 -3.374 14.116 41 HG2 GLN 646 2HG GLN 646 23.921 -3.343 16.990 42 HG3 GLN 646 1HG GLN 646 22.323 -3.909 16.506 43 HE21 GLN 646 1HE2 GLN 646 22.120 -5.951 15.882 44 HE22 GLN 646 2HE2 GLN 646 23.430 -7.027 15.520 45 H ASP 647 H ASP 647 22.370 -0.172 14.765 46 HA ASP 647 HA ASP 647 23.234 0.698 12.111 47 HB2 ASP 647 2HB ASP 647 20.997 -0.008 12.026 48 HB3 ASP 647 1HB ASP 647 20.599 0.749 13.564 49 H VAL 648 H VAL 648 24.346 2.492 11.935 50 HA VAL 648 HA VAL 648 24.147 4.515 14.057 51 HB VAL 648 HB VAL 648 26.262 5.420 12.842 52 HG11 VAL 648 1HG1 VAL 648 26.622 4.678 14.990 53 HG12 VAL 648 2HG1 VAL 648 26.064 3.042 14.631 54 HG13 VAL 648 3HG1 VAL 648 27.642 3.579 14.061 55 HG21 VAL 648 3HG2 VAL 648 27.600 3.559 11.823 56 HG22 VAL 648 1HG2 VAL 648 26.120 2.602 11.790 57 HG23 VAL 648 2HG2 VAL 648 26.223 4.097 10.861 58 H SER 649 H SER 649 24.435 6.801 13.317 59 HA SER 649 HA SER 649 22.637 7.379 11.142 60 HB2 SER 649 2HB SER 649 23.673 9.791 11.939 61 HB3 SER 649 1HB SER 649 22.257 9.022 12.658 62 HG SER 649 HG SER 649 24.616 9.576 13.790 63 H PHE 650 H PHE 650 23.217 8.144 9.124 64 HA PHE 650 HA PHE 650 26.095 8.522 8.659 65 HB2 PHE 650 2HB PHE 650 24.257 6.596 7.403 66 HB3 PHE 650 1HB PHE 650 25.276 7.490 6.278 67 HD1 PHE 650 1HD PHE 650 27.707 7.822 7.973 68 HD2 PHE 650 2HD PHE 650 25.189 4.452 7.318 69 HE1 PHE 650 1HE PHE 650 29.586 6.323 8.486 70 HE2 PHE 650 2HE PHE 650 27.067 2.948 7.825 71 HZ PHE 650 HZ PHE 650 29.267 3.882 8.410 72 H GLU 651 H GLU 651 25.606 10.765 8.841 73 HA GLU 651 HA GLU 651 23.842 12.093 7.049 74 HB2 GLU 651 2HB GLU 651 25.118 14.143 7.776 75 HB3 GLU 651 1HB GLU 651 24.419 13.200 9.083 76 HG2 GLU 651 2HG GLU 651 27.192 12.529 8.349 77 HG3 GLU 651 1HG GLU 651 26.940 14.113 9.079 78 H ASN 652 H ASN 652 26.917 10.725 6.651 79 HA ASN 652 HA ASN 652 27.965 12.478 4.682 80 HB2 ASN 652 2HB ASN 652 28.634 9.745 5.664 81 HB3 ASN 652 1HB ASN 652 29.276 10.237 4.101 82 HD21 ASN 652 1HD2 ASN 652 31.387 10.388 4.690 83 HD22 ASN 652 2HD2 ASN 652 31.986 11.550 5.836 84 H ILE 653 H ILE 653 26.274 9.354 4.459 85 HA ILE 653 HA ILE 653 25.929 9.810 1.584 86 HB ILE 653 HB ILE 653 24.788 7.338 2.175 87 HG12 ILE 653 2HG1 ILE 653 27.512 7.201 3.378 88 HG13 ILE 653 1HG1 ILE 653 26.192 7.770 4.395 89 HG21 ILE 653 1HG2 ILE 653 26.001 7.817 0.174 90 HG22 ILE 653 2HG2 ILE 653 27.496 8.067 1.077 91 HG23 ILE 653 3HG2 ILE 653 26.783 6.457 0.980 92 HD11 ILE 653 3HD1 ILE 653 25.441 5.387 2.965 93 HD12 ILE 653 1HD1 ILE 653 26.915 5.137 3.904 94 HD13 ILE 653 2HD1 ILE 653 25.448 5.708 4.698 95 H GLN 654 H GLN 654 24.211 11.116 1.318 96 HA GLN 654 HA GLN 654 21.654 10.163 2.417 97 HB2 GLN 654 2HB GLN 654 22.523 13.013 1.922 98 HB3 GLN 654 1HB GLN 654 20.889 12.533 2.350 99 HG2 GLN 654 2HG GLN 654 23.257 11.908 4.082 100 HG3 GLN 654 1HG GLN 654 22.345 13.413 4.213 101 HE21 GLN 654 1HE2 GLN 654 22.644 10.359 5.391 102 HE22 GLN 654 2HE2 GLN 654 21.068 10.167 6.079 103 H TRP 655 H TRP 655 20.576 9.252 0.813 104 HA TRP 655 HA TRP 655 20.818 10.380 -1.881 105 HB2 TRP 655 2HB TRP 655 19.967 7.715 -0.814 106 HB3 TRP 655 1HB TRP 655 19.418 8.229 -2.408 107 HD1 TRP 655 HD TRP 655 22.110 6.341 -0.887 108 HE1 TRP 655 1HE TRP 655 24.159 6.170 -2.445 109 HE3 TRP 655 3HE TRP 655 20.870 9.994 -4.247 110 HZ2 TRP 655 2HZ TRP 655 25.112 7.426 -4.782 111 HZ3 TRP 655 3HZ TRP 655 22.408 10.449 -6.114 112 HH2 TRP 655 HH TRP 655 24.486 9.190 -6.372 113 H SER 656 H SER 656 19.471 12.029 -2.123 114 HA SER 656 HA SER 656 16.863 12.055 -0.855 115 HB2 SER 656 2HB SER 656 17.610 14.183 -2.784 116 HB3 SER 656 1HB SER 656 16.917 14.319 -1.166 117 HG SER 656 HG SER 656 19.627 13.809 -1.864 118 H ILE 657 H ILE 657 16.702 9.989 -2.394 119 HA ILE 657 HA ILE 657 14.944 10.829 -4.585 120 HB ILE 657 HB ILE 657 15.841 8.614 -5.727 121 HG12 ILE 657 2HG1 ILE 657 18.542 9.217 -5.172 122 HG13 ILE 657 1HG1 ILE 657 17.743 9.068 -3.610 123 HG21 ILE 657 1HG2 ILE 657 16.278 11.375 -6.073 124 HG22 ILE 657 2HG2 ILE 657 17.823 10.571 -6.355 125 HG23 ILE 657 3HG2 ILE 657 16.399 10.094 -7.278 126 HD11 ILE 657 3HD1 ILE 657 16.767 6.896 -4.889 127 HD12 ILE 657 1HD1 ILE 657 18.368 7.028 -5.617 128 HD13 ILE 657 2HD1 ILE 657 18.204 6.895 -3.867 129 H ASP 658 H ASP 658 14.331 8.152 -5.395 130 HA ASP 658 HA ASP 658 12.848 7.276 -3.027 131 HB2 ASP 658 2HB ASP 658 11.773 7.618 -5.361 132 HB3 ASP 658 1HB ASP 658 12.542 6.086 -5.776 133 HA PRO 659 HA PRO 659 16.082 4.183 -2.592 134 HB2 PRO 659 2HB PRO 659 15.199 3.200 -0.222 135 HB3 PRO 659 1HB PRO 659 16.124 4.699 -0.356 136 HG2 PRO 659 2HG PRO 659 13.170 4.315 -0.062 137 HG3 PRO 659 1HG PRO 659 14.231 5.496 0.732 138 HD2 PRO 659 2HD PRO 659 12.667 6.119 -1.399 139 HD3 PRO 659 1HD PRO 659 14.229 6.904 -1.091 140 H GLY 660 H GLY 660 12.700 3.804 -2.886 141 HA2 GLY 660 1HA GLY 660 12.899 0.872 -2.998 142 HA3 GLY 660 2HA GLY 660 11.412 1.794 -2.837 143 H ALA 661 H ALA 661 13.385 3.285 -5.058 144 HA ALA 661 HA ALA 661 11.742 2.571 -7.277 145 HB1 ALA 661 1HB ALA 661 13.119 4.042 -8.569 146 HB2 ALA 661 2HB ALA 661 12.864 4.781 -6.989 147 HB3 ALA 661 3HB ALA 661 14.397 3.993 -7.355 148 H ASP 662 H ASP 662 14.508 1.191 -5.858 149 HA ASP 662 HA ASP 662 15.262 -0.269 -8.267 150 HB2 ASP 662 2HB ASP 662 16.827 0.694 -6.332 151 HB3 ASP 662 1HB ASP 662 16.502 -0.891 -5.634 152 H LEU 663 H LEU 663 12.748 -0.522 -6.500 153 HA LEU 663 HA LEU 663 12.781 -3.466 -6.469 154 HB2 LEU 663 2HB LEU 663 11.229 -1.661 -4.601 155 HB3 LEU 663 1HB LEU 663 11.185 -3.413 -4.607 156 HG LEU 663 HG LEU 663 13.774 -1.976 -4.132 157 HD11 LEU 663 1HD1 LEU 663 11.434 -2.070 -2.359 158 HD12 LEU 663 2HD1 LEU 663 12.952 -2.593 -1.629 159 HD13 LEU 663 3HD1 LEU 663 12.829 -0.990 -2.350 160 HD21 LEU 663 3HD2 LEU 663 13.397 -4.534 -4.537 161 HD22 LEU 663 1HD2 LEU 663 14.507 -3.984 -3.280 162 HD23 LEU 663 2HD2 LEU 663 12.882 -4.519 -2.850 163 H SER 664 H SER 664 12.214 -2.317 -8.751 164 HA SER 664 HA SER 664 9.786 -1.128 -9.264 165 HB2 SER 664 2HB SER 664 10.461 -2.812 -11.459 166 HB3 SER 664 1HB SER 664 10.772 -1.084 -11.269 167 HG SER 664 HG SER 664 12.784 -1.807 -11.343 168 H GLN 665 H GLN 665 10.524 -4.605 -9.531 169 HA GLN 665 HA GLN 665 7.856 -5.297 -10.276 170 HB2 GLN 665 2HB GLN 665 9.910 -7.201 -9.167 171 HB3 GLN 665 1HB GLN 665 8.604 -7.544 -10.292 172 HG2 GLN 665 2HG GLN 665 10.731 -5.622 -11.093 173 HG3 GLN 665 1HG GLN 665 11.071 -7.352 -11.120 174 HE21 GLN 665 1HE2 GLN 665 8.950 -8.552 -12.047 175 HE22 GLN 665 2HE2 GLN 665 8.477 -7.952 -13.607 176 H TYR 666 H TYR 666 9.163 -4.450 -7.324 177 HA TYR 666 HA TYR 666 7.638 -6.385 -5.776 178 HB2 TYR 666 2HB TYR 666 9.612 -4.272 -4.906 179 HB3 TYR 666 1HB TYR 666 8.808 -5.397 -3.819 180 HD1 TYR 666 2HD TYR 666 11.250 -5.131 -6.584 181 HD2 TYR 666 1HD TYR 666 9.572 -7.650 -3.590 182 HE1 TYR 666 2HE TYR 666 13.040 -6.770 -6.969 183 HE2 TYR 666 1HE TYR 666 11.364 -9.293 -3.965 184 HH TYR 666 HH TYR 666 14.173 -8.590 -5.668 185 H LYS 667 H LYS 667 7.399 -3.103 -6.819 186 HA LYS 667 HA LYS 667 5.564 -2.386 -4.684 187 HB2 LYS 667 2HB LYS 667 5.378 -0.396 -6.617 188 HB3 LYS 667 1HB LYS 667 6.318 -0.339 -5.138 189 HG2 LYS 667 2HG LYS 667 8.178 -1.443 -6.522 190 HG3 LYS 667 1HG LYS 667 7.226 -0.950 -7.924 191 HD2 LYS 667 2HD LYS 667 7.230 1.385 -6.959 192 HD3 LYS 667 1HD LYS 667 8.423 0.811 -5.792 193 HE2 LYS 667 2HE LYS 667 9.936 1.428 -7.320 194 HE3 LYS 667 1HE LYS 667 9.478 -0.053 -8.156 195 HZ1 LYS 667 3HZ LYS 667 9.044 1.310 -9.849 196 HZ2 LYS 667 1HZ LYS 667 8.982 2.697 -8.874 197 HZ3 LYS 667 2HZ LYS 667 7.617 1.692 -9.022 198 H MET 668 H MET 668 3.462 -2.590 -4.758 199 HA MET 668 HA MET 668 2.180 -3.375 -7.264 200 HB2 MET 668 2HB MET 668 0.242 -3.939 -5.862 201 HB3 MET 668 1HB MET 668 1.697 -4.747 -5.300 202 HG2 MET 668 2HG MET 668 1.903 -2.796 -3.644 203 HG3 MET 668 1HG MET 668 0.223 -2.457 -4.052 204 HE1 MET 668 3HE MET 668 1.964 -5.948 -1.726 205 HE2 MET 668 1HE MET 668 1.887 -6.259 -3.460 206 HE3 MET 668 2HE MET 668 2.787 -4.868 -2.854 207 H ASP 669 H ASP 669 0.614 -2.163 -8.260 208 HA ASP 669 HA ASP 669 0.528 0.637 -7.529 209 HB2 ASP 669 2HB ASP 669 0.743 0.158 -9.885 210 HB3 ASP 669 1HB ASP 669 -0.672 -0.887 -9.851 211 H VAL 670 H VAL 670 -0.902 1.389 -6.142 212 HA VAL 670 HA VAL 670 -3.243 -0.168 -5.455 213 HB VAL 670 HB VAL 670 -2.509 2.556 -4.374 214 HG11 VAL 670 1HG1 VAL 670 -3.750 1.732 -2.382 215 HG12 VAL 670 2HG1 VAL 670 -4.748 1.896 -3.827 216 HG13 VAL 670 3HG1 VAL 670 -4.204 0.302 -3.308 217 HG21 VAL 670 3HG2 VAL 670 -1.487 -0.157 -3.588 218 HG22 VAL 670 1HG2 VAL 670 -0.571 1.306 -3.952 219 HG23 VAL 670 2HG2 VAL 670 -1.505 1.201 -2.460 220 H THR 671 H THR 671 -4.583 -0.060 -7.210 221 HA THR 671 HA THR 671 -5.419 2.522 -8.241 222 HB THR 671 HB THR 671 -6.898 0.090 -9.066 223 HG1 THR 671 1HG THR 671 -4.111 0.440 -9.600 224 HG21 THR 671 3HG2 THR 671 -6.555 2.638 -10.035 225 HG22 THR 671 1HG2 THR 671 -7.189 1.271 -10.953 226 HG23 THR 671 2HG2 THR 671 -5.479 1.688 -11.060 227 H VAL 672 H VAL 672 -6.696 3.604 -6.870 228 HA VAL 672 HA VAL 672 -8.657 2.216 -5.247 229 HB VAL 672 HB VAL 672 -8.541 5.201 -5.396 230 HG11 VAL 672 1HG1 VAL 672 -8.607 3.772 -2.831 231 HG12 VAL 672 2HG1 VAL 672 -9.580 5.127 -3.404 232 HG13 VAL 672 3HG1 VAL 672 -9.985 3.481 -3.892 233 HG21 VAL 672 3HG2 VAL 672 -6.723 5.162 -3.683 234 HG22 VAL 672 1HG2 VAL 672 -6.487 3.452 -4.046 235 HG23 VAL 672 2HG2 VAL 672 -6.205 4.665 -5.296 236 H ILE 673 H ILE 673 -10.711 1.920 -5.789 237 HA ILE 673 HA ILE 673 -11.619 2.952 -8.343 238 HB ILE 673 HB ILE 673 -12.713 0.900 -6.432 239 HG12 ILE 673 2HG1 ILE 673 -12.663 -0.250 -8.875 240 HG13 ILE 673 1HG1 ILE 673 -11.382 0.940 -9.082 241 HG21 ILE 673 1HG2 ILE 673 -14.115 1.750 -8.953 242 HG22 ILE 673 2HG2 ILE 673 -14.682 0.628 -7.715 243 HG23 ILE 673 3HG2 ILE 673 -14.559 2.350 -7.354 244 HD11 ILE 673 3HD1 ILE 673 -10.034 -0.046 -7.504 245 HD12 ILE 673 1HD1 ILE 673 -11.383 -0.836 -6.685 246 HD13 ILE 673 2HD1 ILE 673 -10.817 -1.442 -8.242 247 H ASP 674 H ASP 674 -12.830 4.656 -8.595 248 HA ASP 674 HA ASP 674 -13.847 6.139 -6.346 249 HB2 ASP 674 2HB ASP 674 -12.962 7.443 -8.126 250 HB3 ASP 674 1HB ASP 674 -13.869 6.547 -9.337 251 H THR 675 H THR 675 -15.516 5.109 -5.370 252 HA THR 675 HA THR 675 -17.500 3.625 -6.719 253 HB THR 675 HB THR 675 -18.227 4.712 -4.084 254 HG1 THR 675 1HG THR 675 -16.537 3.293 -3.129 255 HG21 THR 675 3HG2 THR 675 -18.790 2.462 -5.621 256 HG22 THR 675 1HG2 THR 675 -19.278 2.742 -3.948 257 HG23 THR 675 2HG2 THR 675 -17.792 1.855 -4.299 258 H LYS 676 H LYS 676 -19.066 4.356 -7.928 259 HA LYS 676 HA LYS 676 -19.965 7.092 -7.848 260 HB2 LYS 676 2HB LYS 676 -21.488 6.350 -9.674 261 HB3 LYS 676 1HB LYS 676 -19.796 5.988 -9.993 262 HG2 LYS 676 2HG LYS 676 -20.316 3.859 -10.319 263 HG3 LYS 676 1HG LYS 676 -20.911 3.746 -8.663 264 HD2 LYS 676 2HD LYS 676 -22.715 5.019 -10.629 265 HD3 LYS 676 1HD LYS 676 -22.437 3.287 -10.825 266 HE2 LYS 676 2HE LYS 676 -23.053 4.292 -8.097 267 HE3 LYS 676 1HE LYS 676 -24.366 4.255 -9.269 268 HZ1 LYS 676 3HZ LYS 676 -22.698 1.860 -8.955 269 HZ2 LYS 676 1HZ LYS 676 -24.332 1.990 -9.389 270 HZ3 LYS 676 2HZ LYS 676 -23.863 2.196 -7.768 271 H ASP 677 H ASP 677 -20.657 4.546 -5.921 272 HA ASP 677 HA ASP 677 -23.496 4.447 -6.137 273 HB2 ASP 677 2HB ASP 677 -21.634 2.661 -5.315 274 HB3 ASP 677 1HB ASP 677 -22.221 3.257 -3.763 275 H GLY 678 H GLY 678 -24.476 4.228 -3.728 276 HA2 GLY 678 1HA GLY 678 -25.210 5.407 -1.867 277 HA3 GLY 678 2HA GLY 678 -23.892 6.543 -2.105 278 H SER 679 H SER 679 -25.256 6.367 -5.037 279 HA SER 679 HA SER 679 -26.779 8.814 -4.566 280 HB2 SER 679 2HB SER 679 -26.679 8.657 -7.228 281 HB3 SER 679 1HB SER 679 -25.320 9.266 -6.278 282 HG SER 679 HG SER 679 -24.189 7.642 -6.972 283 H GLN 680 H GLN 680 -27.406 5.602 -4.745 284 HA GLN 680 HA GLN 680 -29.774 5.739 -6.419 285 HB2 GLN 680 2HB GLN 680 -28.293 3.546 -5.020 286 HB3 GLN 680 1HB GLN 680 -29.954 3.280 -5.532 287 HG2 GLN 680 2HG GLN 680 -29.130 2.673 -7.492 288 HG3 GLN 680 1HG GLN 680 -28.753 4.375 -7.761 289 HE21 GLN 680 1HE2 GLN 680 -27.267 2.110 -5.505 290 HE22 GLN 680 2HE2 GLN 680 -25.676 2.190 -6.193 291 H SER 681 H SER 681 -30.226 7.480 -4.512 292 HA SER 681 HA SER 681 -31.204 6.583 -2.047 293 HB2 SER 681 2HB SER 681 -32.625 8.906 -2.732 294 HB3 SER 681 1HB SER 681 -31.123 8.810 -1.811 295 HG SER 681 HG SER 681 -30.440 9.989 -3.455 296 H LYS 682 H LYS 682 -32.877 7.229 -5.114 297 HA LYS 682 HA LYS 682 -35.439 6.452 -4.003 298 HB2 LYS 682 2HB LYS 682 -34.510 7.386 -6.708 299 HB3 LYS 682 1HB LYS 682 -36.125 6.730 -6.486 300 HG2 LYS 682 2HG LYS 682 -36.764 8.486 -5.068 301 HG3 LYS 682 1HG LYS 682 -35.094 8.999 -4.816 302 HD2 LYS 682 2HD LYS 682 -35.358 9.189 -7.532 303 HD3 LYS 682 1HD LYS 682 -36.962 9.659 -6.967 304 HE2 LYS 682 2HE LYS 682 -36.164 11.494 -5.812 305 HE3 LYS 682 1HE LYS 682 -34.540 10.823 -5.666 306 HZ1 LYS 682 3HZ LYS 682 -35.715 11.699 -8.248 307 HZ2 LYS 682 1HZ LYS 682 -34.094 11.309 -7.930 308 HZ3 LYS 682 2HZ LYS 682 -34.776 12.713 -7.262 309 H LEU 683 H LEU 683 -32.805 4.962 -5.568 310 HA LEU 683 HA LEU 683 -34.330 2.782 -6.707 311 HB2 LEU 683 2HB LEU 683 -31.539 3.710 -6.756 312 HB3 LEU 683 1HB LEU 683 -31.730 1.966 -6.793 313 HG LEU 683 HG LEU 683 -33.474 2.586 -8.711 314 HD11 LEU 683 1HD1 LEU 683 -31.746 4.479 -9.837 315 HD12 LEU 683 2HD1 LEU 683 -33.417 4.713 -9.322 316 HD13 LEU 683 3HD1 LEU 683 -32.096 5.048 -8.204 317 HD21 LEU 683 3HD2 LEU 683 -31.845 1.934 -10.271 318 HD22 LEU 683 1HD2 LEU 683 -30.529 2.616 -9.313 319 HD23 LEU 683 2HD2 LEU 683 -31.367 1.164 -8.760 320 H GLY 684 H GLY 684 -32.898 3.544 -3.712 321 HA2 GLY 684 1HA GLY 684 -33.903 1.801 -2.054 322 HA3 GLY 684 2HA GLY 684 -32.786 0.731 -2.890 323 H GLY 685 H GLY 685 -32.631 4.036 -1.575 324 HA2 GLY 685 1HA GLY 685 -30.044 3.305 -0.362 325 HA3 GLY 685 2HA GLY 685 -30.497 4.930 -0.859 326 H GLY 901 H GLY 901 -30.977 2.420 1.532 327 HA2 GLY 901 1HA GLY 901 -31.050 4.020 3.738 328 HA3 GLY 901 2HA GLY 901 -32.716 4.002 3.174 329 H GLY 902 H GLY 902 -32.522 3.059 5.557 330 HA2 GLY 902 1HA GLY 902 -33.080 0.235 5.266 331 HA3 GLY 902 2HA GLY 902 -31.682 0.602 6.270 332 H SER 903 H SER 903 -32.694 -0.223 8.134 333 HA SER 903 HA SER 903 -35.201 0.858 9.035 334 HB2 SER 903 2HB SER 903 -33.725 -0.438 11.136 335 HB3 SER 903 1HB SER 903 -35.172 -0.999 10.295 336 HG SER 903 HG SER 903 -32.452 -1.466 9.676 337 H GLY 904 H GLY 904 -34.324 3.127 8.794 338 HA2 GLY 904 1HA GLY 904 -33.840 5.104 9.876 339 HA3 GLY 904 2HA GLY 904 -33.712 4.192 11.376 340 H GLY 905 H GLY 905 -31.782 4.401 12.287 341 HA2 GLY 905 1HA GLY 905 -29.428 4.926 10.657 342 HA3 GLY 905 2HA GLY 905 -29.491 4.849 12.412 343 H HIS 906 H HIS 906 -31.090 2.209 11.635 344 HA HIS 906 HA HIS 906 -28.695 0.542 11.849 345 HB2 HIS 906 2HB HIS 906 -31.604 -0.062 12.423 346 HB3 HIS 906 1HB HIS 906 -30.301 -1.236 12.565 347 HD1 HIS 906 1HD HIS 906 -28.313 -0.388 14.334 348 HD2 HIS 906 2HD HIS 906 -32.123 1.240 14.717 349 HE1 HIS 906 1HE HIS 906 -28.446 0.578 16.669 350 H MET 907 H MET 907 -28.227 0.799 9.578 351 HA MET 907 HA MET 907 -30.008 -0.674 7.770 352 HB2 MET 907 2HB MET 907 -29.273 1.555 7.037 353 HB3 MET 907 1HB MET 907 -27.594 1.051 7.175 354 HG2 MET 907 2HG MET 907 -28.008 -0.650 5.430 355 HG3 MET 907 1HG MET 907 -29.647 -0.025 5.253 356 HE1 MET 907 3HE MET 907 -26.866 -0.246 3.189 357 HE2 MET 907 1HE MET 907 -26.059 1.312 3.022 358 HE3 MET 907 2HE MET 907 -25.910 0.400 4.524 359 H GLY 908 H GLY 908 -29.505 -2.677 7.094 360 HA2 GLY 908 1HA GLY 908 -26.792 -3.574 6.845 361 HA3 GLY 908 2HA GLY 908 -27.571 -4.241 8.268 362 H SER 909 H SER 909 -27.248 -4.415 4.859 363 HA SER 909 HA SER 909 -29.439 -6.258 4.497 364 HB2 SER 909 2HB SER 909 -27.613 -6.301 2.301 365 HB3 SER 909 1HB SER 909 -29.213 -5.562 2.371 366 HG SER 909 HG SER 909 -27.598 -4.016 1.879 367 H GLY 910 H GLY 910 -28.646 -7.733 6.186 368 HA2 GLY 910 1HA GLY 910 -26.195 -9.118 5.973 369 HA3 GLY 910 2HA GLY 910 -27.591 -9.637 6.905 370 H GLY 911 H GLY 911 -25.835 -11.339 5.456 371 HA2 GLY 911 1HA GLY 911 -26.406 -13.362 4.355 372 HA3 GLY 911 2HA GLY 911 -27.793 -12.552 3.638 373 H LEU 18 H LEU 18 -26.397 -10.244 2.732 374 HA LEU 18 HA LEU 18 -25.236 -11.333 0.320 375 HB2 LEU 18 2HB LEU 18 -26.003 -8.597 1.263 376 HB3 LEU 18 1HB LEU 18 -24.954 -8.776 -0.128 377 HG LEU 18 HG LEU 18 -27.046 -10.481 -0.715 378 HD11 LEU 18 1HD1 LEU 18 -29.025 -8.902 -0.442 379 HD12 LEU 18 2HD1 LEU 18 -28.491 -9.777 0.994 380 HD13 LEU 18 3HD1 LEU 18 -28.056 -8.083 0.782 381 HD21 LEU 18 3HD2 LEU 18 -26.103 -9.161 -2.398 382 HD22 LEU 18 1HD2 LEU 18 -27.741 -8.531 -2.225 383 HD23 LEU 18 2HD2 LEU 18 -26.382 -7.663 -1.508 384 H SER 19 H SER 19 -23.147 -11.120 -0.353 385 HA SER 19 HA SER 19 -21.198 -10.322 1.689 386 HB2 SER 19 2HB SER 19 -20.391 -11.644 -0.867 387 HB3 SER 19 1HB SER 19 -19.709 -11.820 0.750 388 HG SER 19 HG SER 19 -21.978 -12.786 1.141 389 H TRP 20 H TRP 20 -22.553 -9.447 -1.324 390 HA TRP 20 HA TRP 20 -22.262 -7.729 -2.767 391 HB2 TRP 20 2HB TRP 20 -20.394 -6.338 -0.883 392 HB3 TRP 20 1HB TRP 20 -21.567 -5.642 -1.992 393 HD1 TRP 20 HD TRP 20 -24.279 -6.610 -1.135 394 HE1 TRP 20 1HE TRP 20 -25.224 -6.237 1.233 395 HE3 TRP 20 3HE TRP 20 -19.898 -5.867 1.385 396 HZ2 TRP 20 2HZ TRP 20 -24.251 -5.696 3.817 397 HZ3 TRP 20 3HZ TRP 20 -19.995 -5.425 3.811 398 HH2 TRP 20 HH TRP 20 -22.124 -5.343 4.997 399 H LYS 21 H LYS 21 -19.152 -7.276 -1.290 400 HA LYS 21 HA LYS 21 -17.828 -8.552 -3.568 401 HB2 LYS 21 2HB LYS 21 -17.518 -5.738 -2.617 402 HB3 LYS 21 1HB LYS 21 -16.077 -6.584 -3.162 403 HG2 LYS 21 2HG LYS 21 -18.520 -5.836 -4.719 404 HG3 LYS 21 1HG LYS 21 -16.830 -5.466 -5.057 405 HD2 LYS 21 2HD LYS 21 -16.404 -7.561 -5.919 406 HD3 LYS 21 1HD LYS 21 -17.713 -8.315 -5.008 407 HE2 LYS 21 2HE LYS 21 -18.602 -6.284 -6.918 408 HE3 LYS 21 1HE LYS 21 -17.794 -7.661 -7.662 409 HZ1 LYS 21 3HZ LYS 21 -19.868 -8.173 -5.646 410 HZ2 LYS 21 1HZ LYS 21 -19.413 -9.103 -6.990 411 HZ3 LYS 21 2HZ LYS 21 -20.347 -7.701 -7.203 412 H ARG 22 H ARG 22 -16.315 -9.958 -2.918 413 HA ARG 22 HA ARG 22 -15.651 -9.948 -0.060 414 HB2 ARG 22 2HB ARG 22 -16.825 -11.927 -1.406 415 HB3 ARG 22 1HB ARG 22 -15.154 -12.338 -1.767 416 HG2 ARG 22 2HG ARG 22 -14.934 -13.291 0.214 417 HG3 ARG 22 1HG ARG 22 -15.377 -11.781 1.015 418 HD2 ARG 22 2HD ARG 22 -17.728 -12.338 0.831 419 HD3 ARG 22 1HD ARG 22 -17.333 -13.806 -0.062 420 HE ARG 22 HE ARG 22 -16.145 -13.589 2.576 421 HH11 ARG 22 2HH1 ARG 22 -18.842 -14.758 0.677 422 HH12 ARG 22 1HH1 ARG 22 -19.274 -16.000 1.807 423 HH21 ARG 22 2HH2 ARG 22 -16.707 -15.225 4.070 424 HH22 ARG 22 1HH2 ARG 22 -18.065 -16.265 3.740 425 H CYS 23 H CYS 23 -13.730 -9.233 0.420 426 HA CYS 23 HA CYS 23 -11.615 -8.908 -1.456 427 HB2 CYS 23 2HB CYS 23 -10.493 -8.476 0.963 428 HB3 CYS 23 1HB CYS 23 -11.490 -7.287 0.127 429 H ALA 24 H ALA 24 -9.492 -9.823 -1.266 430 HA ALA 24 HA ALA 24 -9.558 -12.644 -0.648 431 HB1 ALA 24 1HB ALA 24 -7.258 -12.642 -1.586 432 HB2 ALA 24 2HB ALA 24 -8.477 -11.989 -2.683 433 HB3 ALA 24 3HB ALA 24 -7.399 -10.897 -1.813 434 H GLY 25 H GLY 25 -8.922 -9.912 1.152 435 HA2 GLY 25 1HA GLY 25 -6.672 -10.999 2.646 436 HA3 GLY 25 2HA GLY 25 -7.416 -9.427 2.877 437 H CYS 26 H CYS 26 -9.325 -9.265 4.139 438 HA CYS 26 HA CYS 26 -9.328 -11.052 6.349 439 HB2 CYS 26 2HB CYS 26 -10.860 -9.599 7.379 440 HB3 CYS 26 1HB CYS 26 -9.840 -8.561 6.401 441 H GLY 27 H GLY 27 -11.363 -10.703 3.518 442 HA2 GLY 27 1HA GLY 27 -12.436 -12.461 2.449 443 HA3 GLY 27 2HA GLY 27 -12.116 -13.473 3.846 444 H GLY 28 H GLY 28 -13.480 -10.685 4.984 445 HA2 GLY 28 1HA GLY 28 -16.006 -12.005 5.427 446 HA3 GLY 28 2HA GLY 28 -15.543 -10.412 6.012 447 H LYS 29 H LYS 29 -15.957 -8.613 4.777 448 HA LYS 29 HA LYS 29 -16.799 -8.718 2.069 449 HB2 LYS 29 2HB LYS 29 -19.091 -7.739 2.514 450 HB3 LYS 29 1HB LYS 29 -18.919 -9.451 2.877 451 HG2 LYS 29 2HG LYS 29 -18.293 -8.012 5.235 452 HG3 LYS 29 1HG LYS 29 -19.783 -7.340 4.568 453 HD2 LYS 29 2HD LYS 29 -19.622 -10.278 4.570 454 HD3 LYS 29 1HD LYS 29 -19.672 -9.527 6.165 455 HE2 LYS 29 2HE LYS 29 -21.742 -8.495 5.732 456 HE3 LYS 29 1HE LYS 29 -21.613 -8.785 3.997 457 HZ1 LYS 29 3HZ LYS 29 -21.990 -11.085 4.308 458 HZ2 LYS 29 1HZ LYS 29 -23.176 -10.285 5.216 459 HZ3 LYS 29 2HZ LYS 29 -21.837 -10.970 5.993 460 H ILE 30 H ILE 30 -16.805 -6.654 1.150 461 HA ILE 30 HA ILE 30 -15.311 -4.734 2.643 462 HB ILE 30 HB ILE 30 -16.552 -4.508 -0.103 463 HG12 ILE 30 2HG1 ILE 30 -13.662 -4.978 0.642 464 HG13 ILE 30 1HG1 ILE 30 -14.785 -6.284 0.281 465 HG21 ILE 30 1HG2 ILE 30 -14.582 -2.724 1.322 466 HG22 ILE 30 2HG2 ILE 30 -14.918 -2.652 -0.408 467 HG23 ILE 30 3HG2 ILE 30 -16.197 -2.299 0.752 468 HD11 ILE 30 3HD1 ILE 30 -14.024 -4.066 -1.608 469 HD12 ILE 30 1HD1 ILE 30 -13.383 -5.710 -1.632 470 HD13 ILE 30 2HD1 ILE 30 -15.092 -5.424 -1.965 471 H ALA 31 H ALA 31 -16.245 -3.616 4.189 472 HA ALA 31 HA ALA 31 -18.907 -2.461 3.728 473 HB1 ALA 31 1HB ALA 31 -17.579 -3.566 6.054 474 HB2 ALA 31 2HB ALA 31 -18.199 -1.944 6.361 475 HB3 ALA 31 3HB ALA 31 -19.286 -3.211 5.793 476 H ASP 32 H ASP 32 -16.169 -1.625 2.784 477 HA ASP 32 HA ASP 32 -15.819 0.978 4.035 478 HB2 ASP 32 2HB ASP 32 -14.050 -0.780 2.922 479 HB3 ASP 32 1HB ASP 32 -14.287 0.352 1.595 480 H ARG 33 H ARG 33 -15.399 2.807 2.352 481 HA ARG 33 HA ARG 33 -17.758 2.918 0.640 482 HB2 ARG 33 2HB ARG 33 -17.359 4.847 2.057 483 HB3 ARG 33 1HB ARG 33 -15.732 5.023 1.417 484 HG2 ARG 33 2HG ARG 33 -17.077 5.213 -0.867 485 HG3 ARG 33 1HG ARG 33 -18.329 5.784 0.233 486 HD2 ARG 33 2HD ARG 33 -15.534 6.876 0.300 487 HD3 ARG 33 1HD ARG 33 -16.765 7.527 -0.778 488 HE ARG 33 HE ARG 33 -18.094 8.001 1.260 489 HH11 ARG 33 2HH1 ARG 33 -14.624 7.594 1.531 490 HH12 ARG 33 1HH1 ARG 33 -14.487 8.566 2.963 491 HH21 ARG 33 2HH2 ARG 33 -17.932 9.273 3.133 492 HH22 ARG 33 1HH2 ARG 33 -16.382 9.536 3.878 493 H PHE 34 H PHE 34 -14.275 3.549 0.374 494 HA PHE 34 HA PHE 34 -14.429 3.086 -2.521 495 HB2 PHE 34 2HB PHE 34 -12.612 4.601 -0.726 496 HB3 PHE 34 1HB PHE 34 -11.869 3.836 -2.126 497 HD1 PHE 34 1HD PHE 34 -15.221 5.414 -1.802 498 HD2 PHE 34 2HD PHE 34 -11.346 5.582 -3.544 499 HE1 PHE 34 1HE PHE 34 -15.943 7.298 -3.212 500 HE2 PHE 34 2HE PHE 34 -12.055 7.462 -4.957 501 HZ PHE 34 HZ PHE 34 -14.354 8.320 -4.796 502 H LEU 35 H LEU 35 -13.633 1.264 -3.396 503 HA LEU 35 HA LEU 35 -12.039 -0.509 -1.693 504 HB2 LEU 35 2HB LEU 35 -12.418 -2.153 -3.619 505 HB3 LEU 35 1HB LEU 35 -13.781 -1.771 -2.586 506 HG LEU 35 HG LEU 35 -13.628 -0.035 -4.927 507 HD11 LEU 35 1HD1 LEU 35 -14.211 -1.671 -6.579 508 HD12 LEU 35 2HD1 LEU 35 -12.671 -2.140 -5.859 509 HD13 LEU 35 3HD1 LEU 35 -14.156 -2.968 -5.387 510 HD21 LEU 35 3HD2 LEU 35 -16.010 -0.944 -5.088 511 HD22 LEU 35 1HD2 LEU 35 -15.669 -1.754 -3.559 512 HD23 LEU 35 2HD2 LEU 35 -15.594 0.005 -3.662 513 H LEU 36 H LEU 36 -10.072 -1.392 -2.489 514 HA LEU 36 HA LEU 36 -8.796 0.340 -4.504 515 HB2 LEU 36 2HB LEU 36 -6.805 -0.297 -2.675 516 HB3 LEU 36 1HB LEU 36 -7.590 1.256 -2.882 517 HG LEU 36 HG LEU 36 -9.226 -0.418 -1.219 518 HD11 LEU 36 1HD1 LEU 36 -6.540 -1.033 -0.907 519 HD12 LEU 36 2HD1 LEU 36 -6.892 0.107 0.392 520 HD13 LEU 36 3HD1 LEU 36 -7.845 -1.366 0.232 521 HD21 LEU 36 3HD2 LEU 36 -9.043 1.451 0.303 522 HD22 LEU 36 1HD2 LEU 36 -7.667 2.088 -0.598 523 HD23 LEU 36 2HD2 LEU 36 -9.265 2.043 -1.343 524 H TYR 37 H TYR 37 -6.925 -0.519 -5.515 525 HA TYR 37 HA TYR 37 -6.942 -3.449 -5.665 526 HB2 TYR 37 2HB TYR 37 -6.578 -1.288 -7.600 527 HB3 TYR 37 1HB TYR 37 -5.334 -2.528 -7.719 528 HD1 TYR 37 1HD TYR 37 -6.447 -5.022 -7.447 529 HD2 TYR 37 2HD TYR 37 -8.334 -1.560 -9.029 530 HE1 TYR 37 1HE TYR 37 -7.993 -6.455 -8.703 531 HE2 TYR 37 2HE TYR 37 -9.888 -2.971 -10.291 532 HH TYR 37 HH TYR 37 -9.689 -6.529 -10.148 533 H ALA 38 H ALA 38 -5.029 -4.612 -5.592 534 HA ALA 38 HA ALA 38 -2.599 -3.136 -4.868 535 HB1 ALA 38 1HB ALA 38 -4.050 -4.984 -3.204 536 HB2 ALA 38 2HB ALA 38 -2.420 -5.574 -3.524 537 HB3 ALA 38 3HB ALA 38 -2.656 -3.977 -2.813 538 H MET 39 H MET 39 -3.208 -6.610 -5.088 539 HA MET 39 HA MET 39 -1.212 -6.761 -7.218 540 HB2 MET 39 2HB MET 39 -2.473 -9.082 -5.769 541 HB3 MET 39 1HB MET 39 -0.981 -9.073 -6.693 542 HG2 MET 39 2HG MET 39 -0.116 -9.032 -4.605 543 HG3 MET 39 1HG MET 39 -0.283 -7.297 -4.868 544 HE1 MET 39 3HE MET 39 -1.028 -8.201 -1.069 545 HE2 MET 39 1HE MET 39 -0.769 -9.718 -1.931 546 HE3 MET 39 2HE MET 39 0.260 -8.326 -2.268 547 H ASP 40 H ASP 40 -4.248 -8.519 -6.516 548 HA ASP 40 HA ASP 40 -5.218 -7.945 -9.190 549 HB2 ASP 40 2HB ASP 40 -5.307 -10.138 -9.981 550 HB3 ASP 40 1HB ASP 40 -3.749 -10.092 -9.164 551 H SER 41 H SER 41 -5.759 -8.209 -5.981 552 HA SER 41 HA SER 41 -8.568 -9.003 -6.278 553 HB2 SER 41 2HB SER 41 -7.790 -8.665 -3.544 554 HB3 SER 41 1HB SER 41 -8.253 -10.150 -4.378 555 HG SER 41 HG SER 41 -6.233 -10.709 -4.517 556 H TYR 42 H TYR 42 -10.102 -7.788 -4.822 557 HA TYR 42 HA TYR 42 -9.415 -4.928 -4.840 558 HB2 TYR 42 2HB TYR 42 -12.038 -4.801 -4.441 559 HB3 TYR 42 1HB TYR 42 -11.360 -4.957 -6.057 560 HD1 TYR 42 1HD TYR 42 -11.420 -7.151 -7.208 561 HD2 TYR 42 2HD TYR 42 -13.366 -6.525 -3.480 562 HE1 TYR 42 1HE TYR 42 -12.764 -9.183 -7.576 563 HE2 TYR 42 2HE TYR 42 -14.710 -8.554 -3.829 564 HH TYR 42 HH TYR 42 -13.977 -10.897 -5.950 565 H TRP 43 H TRP 43 -9.169 -3.904 -2.957 566 HA TRP 43 HA TRP 43 -9.893 -5.396 -0.515 567 HB2 TRP 43 2HB TRP 43 -7.556 -3.511 -0.684 568 HB3 TRP 43 1HB TRP 43 -7.876 -4.754 0.514 569 HD1 TRP 43 HD TRP 43 -6.979 -4.550 -3.259 570 HE1 TRP 43 1HE TRP 43 -5.485 -6.559 -3.827 571 HE3 TRP 43 3HE TRP 43 -6.988 -6.883 1.288 572 HZ2 TRP 43 2HZ TRP 43 -4.427 -8.825 -2.527 573 HZ3 TRP 43 3HZ TRP 43 -5.702 -8.969 1.540 574 HH2 TRP 43 HH TRP 43 -4.452 -9.916 -0.332 575 H HIS 44 H HIS 44 -9.798 -3.935 1.437 576 HA HIS 44 HA HIS 44 -10.698 -1.193 0.870 577 HB2 HIS 44 2HB HIS 44 -12.101 -1.407 3.010 578 HB3 HIS 44 1HB HIS 44 -12.711 -2.236 1.586 579 HD1 HIS 44 1HD HIS 44 -12.735 -2.862 4.996 580 HD2 HIS 44 2HD HIS 44 -11.304 -5.046 1.754 581 HE1 HIS 44 1HE HIS 44 -12.559 -5.300 5.751 582 H SER 45 H SER 45 -10.624 -0.044 3.277 583 HA SER 45 HA SER 45 -7.866 0.282 3.684 584 HB2 SER 45 2HB SER 45 -9.880 1.121 5.745 585 HB3 SER 45 1HB SER 45 -8.432 1.965 5.193 586 HG SER 45 HG SER 45 -10.927 1.665 3.869 587 H ARG 46 H ARG 46 -10.108 -1.908 5.181 588 HA ARG 46 HA ARG 46 -8.319 -2.407 7.421 589 HB2 ARG 46 2HB ARG 46 -11.122 -2.879 6.837 590 HB3 ARG 46 1HB ARG 46 -10.344 -4.308 7.505 591 HG2 ARG 46 2HG ARG 46 -10.292 -1.570 8.752 592 HG3 ARG 46 1HG ARG 46 -11.367 -2.886 9.224 593 HD2 ARG 46 2HD ARG 46 -9.753 -3.954 10.364 594 HD3 ARG 46 1HD ARG 46 -8.527 -3.606 9.144 595 HE ARG 46 HE ARG 46 -9.394 -1.685 11.217 596 HH11 ARG 46 2HH1 ARG 46 -6.902 -3.089 9.190 597 HH12 ARG 46 1HH1 ARG 46 -5.652 -2.051 9.804 598 HH21 ARG 46 2HH2 ARG 46 -7.765 -0.334 12.019 599 HH22 ARG 46 1HH2 ARG 46 -6.135 -0.490 11.416 600 H CYS 47 H CYS 47 -8.663 -3.561 4.270 601 HA CYS 47 HA CYS 47 -7.666 -6.228 4.967 602 HB2 CYS 47 2HB CYS 47 -9.463 -5.294 2.976 603 HB3 CYS 47 1HB CYS 47 -8.044 -5.923 2.148 604 H LEU 48 H LEU 48 -6.956 -3.582 2.678 605 HA LEU 48 HA LEU 48 -4.404 -4.711 2.019 606 HB2 LEU 48 2HB LEU 48 -6.144 -2.949 0.807 607 HB3 LEU 48 1HB LEU 48 -4.829 -1.910 1.317 608 HG LEU 48 HG LEU 48 -4.974 -3.559 -0.982 609 HD11 LEU 48 1HD1 LEU 48 -3.681 -1.892 -1.625 610 HD12 LEU 48 2HD1 LEU 48 -3.557 -1.347 0.049 611 HD13 LEU 48 3HD1 LEU 48 -2.378 -2.490 -0.597 612 HD21 LEU 48 3HD2 LEU 48 -4.027 -5.293 0.642 613 HD22 LEU 48 1HD2 LEU 48 -3.134 -5.005 -0.851 614 HD23 LEU 48 2HD2 LEU 48 -2.573 -4.295 0.663 615 H LYS 49 H LYS 49 -3.436 -4.813 4.082 616 HA LYS 49 HA LYS 49 -2.235 -2.262 4.888 617 HB2 LYS 49 2HB LYS 49 -2.378 -3.370 7.302 618 HB3 LYS 49 1HB LYS 49 -3.670 -2.361 6.676 619 HG2 LYS 49 2HG LYS 49 -4.721 -4.235 7.622 620 HG3 LYS 49 1HG LYS 49 -4.768 -4.499 5.877 621 HD2 LYS 49 2HD LYS 49 -2.891 -6.009 6.010 622 HD3 LYS 49 1HD LYS 49 -2.693 -5.670 7.730 623 HE2 LYS 49 2HE LYS 49 -5.192 -6.479 7.840 624 HE3 LYS 49 1HE LYS 49 -4.766 -7.291 6.336 625 HZ1 LYS 49 3HZ LYS 49 -4.444 -8.607 8.437 626 HZ2 LYS 49 1HZ LYS 49 -3.156 -7.568 8.802 627 HZ3 LYS 49 2HZ LYS 49 -3.097 -8.530 7.408 628 H CYS 50 H CYS 50 -0.322 -2.600 6.289 629 HA CYS 50 HA CYS 50 1.479 -4.548 5.326 630 HB2 CYS 50 2HB CYS 50 2.048 -2.324 6.383 631 HB3 CYS 50 1HB CYS 50 1.620 -3.023 7.938 632 H SER 51 H SER 51 1.858 -6.583 5.996 633 HA SER 51 HA SER 51 0.064 -7.748 7.933 634 HB2 SER 51 2HB SER 51 2.399 -9.172 6.659 635 HB3 SER 51 1HB SER 51 0.855 -9.840 7.189 636 HG SER 51 HG SER 51 1.003 -7.911 5.128 637 H SER 52 H SER 52 2.911 -6.071 8.183 638 HA SER 52 HA SER 52 3.843 -7.630 10.486 639 HB2 SER 52 2HB SER 52 5.217 -5.534 8.800 640 HB3 SER 52 1HB SER 52 5.922 -6.230 10.260 641 HG SER 52 HG SER 52 6.647 -7.364 8.479 642 H CYS 53 H CYS 53 3.229 -4.201 9.578 643 HA CYS 53 HA CYS 53 2.942 -3.684 12.463 644 HB2 CYS 53 2HB CYS 53 3.629 -1.423 12.138 645 HB3 CYS 53 1HB CYS 53 4.801 -2.454 11.328 646 H GLN 54 H GLN 54 1.152 -4.172 9.800 647 HA GLN 54 HA GLN 54 -1.041 -3.931 9.325 648 HB2 GLN 54 2HB GLN 54 -1.055 -2.990 12.179 649 HB3 GLN 54 1HB GLN 54 -2.517 -2.953 11.201 650 HG2 GLN 54 2HG GLN 54 -0.910 -5.458 11.459 651 HG3 GLN 54 1HG GLN 54 -2.073 -4.991 12.701 652 HE21 GLN 54 1HE2 GLN 54 -4.181 -4.076 11.449 653 HE22 GLN 54 2HE2 GLN 54 -4.854 -5.239 10.358 654 H ALA 55 H ALA 55 0.914 -1.811 8.731 655 HA ALA 55 HA ALA 55 -0.377 0.707 8.907 656 HB1 ALA 55 1HB ALA 55 1.160 1.046 6.751 657 HB2 ALA 55 2HB ALA 55 1.811 1.031 8.389 658 HB3 ALA 55 3HB ALA 55 1.905 -0.420 7.391 659 H GLN 56 H GLN 56 -2.121 1.415 7.842 660 HA GLN 56 HA GLN 56 -3.477 -0.210 5.951 661 HB2 GLN 56 2HB GLN 56 -3.893 2.572 7.009 662 HB3 GLN 56 1HB GLN 56 -4.917 1.909 5.743 663 HG2 GLN 56 2HG GLN 56 -6.094 0.732 7.195 664 HG3 GLN 56 1HG GLN 56 -4.646 0.057 7.930 665 HE21 GLN 56 1HE2 GLN 56 -7.249 2.151 8.315 666 HE22 GLN 56 2HE2 GLN 56 -6.761 2.900 9.798 667 H LEU 57 H LEU 57 -1.719 -0.416 4.395 668 HA LEU 57 HA LEU 57 -0.608 1.755 3.000 669 HB2 LEU 57 2HB LEU 57 -0.900 -1.120 2.128 670 HB3 LEU 57 1HB LEU 57 0.172 0.061 1.402 671 HG LEU 57 HG LEU 57 0.449 -0.565 4.314 672 HD11 LEU 57 1HD1 LEU 57 2.195 -2.119 2.582 673 HD12 LEU 57 2HD1 LEU 57 1.298 -2.606 4.020 674 HD13 LEU 57 3HD1 LEU 57 0.498 -2.586 2.448 675 HD21 LEU 57 3HD2 LEU 57 1.899 0.871 2.255 676 HD22 LEU 57 1HD2 LEU 57 2.070 0.937 4.009 677 HD23 LEU 57 2HD2 LEU 57 2.918 -0.303 3.086 678 H GLY 58 H GLY 58 -3.631 0.126 2.637 679 HA2 GLY 58 1HA GLY 58 -4.053 0.962 -0.087 680 HA3 GLY 58 2HA GLY 58 -5.242 0.233 0.980 681 H ASP 59 H ASP 59 -4.390 2.428 2.989 682 HA ASP 59 HA ASP 59 -6.288 4.398 1.936 683 HB2 ASP 59 2HB ASP 59 -6.611 3.179 4.219 684 HB3 ASP 59 1HB ASP 59 -5.401 4.320 4.803 685 H ILE 60 H ILE 60 -3.240 4.001 1.743 686 HA ILE 60 HA ILE 60 -2.684 6.876 1.863 687 HB ILE 60 HB ILE 60 -0.500 4.911 2.510 688 HG12 ILE 60 2HG1 ILE 60 -1.974 6.346 4.701 689 HG13 ILE 60 1HG1 ILE 60 -2.533 4.772 4.145 690 HG21 ILE 60 1HG2 ILE 60 0.733 6.749 2.575 691 HG22 ILE 60 2HG2 ILE 60 -0.686 7.716 2.168 692 HG23 ILE 60 3HG2 ILE 60 -0.285 7.404 3.858 693 HD11 ILE 60 3HD1 ILE 60 -0.765 5.136 6.137 694 HD12 ILE 60 1HD1 ILE 60 -0.845 3.681 5.141 695 HD13 ILE 60 2HD1 ILE 60 0.331 4.940 4.767 696 H GLY 61 H GLY 61 -1.310 7.581 0.197 697 HA2 GLY 61 1HA GLY 61 -1.143 5.925 -2.138 698 HA3 GLY 61 2HA GLY 61 -0.420 7.515 -1.941 699 H THR 62 H THR 62 0.019 4.413 -0.290 700 HA THR 62 HA THR 62 2.900 4.845 -0.300 701 HB THR 62 HB THR 62 2.479 2.501 1.068 702 HG1 THR 62 1HG THR 62 0.180 2.815 0.874 703 HG21 THR 62 3HG2 THR 62 3.595 3.745 2.548 704 HG22 THR 62 1HG2 THR 62 2.118 4.642 2.900 705 HG23 THR 62 2HG2 THR 62 3.202 5.198 1.626 706 H SER 63 H SER 63 4.270 3.734 -1.547 707 HA SER 63 HA SER 63 3.354 1.712 -3.349 708 HB2 SER 63 2HB SER 63 6.235 1.819 -3.046 709 HB3 SER 63 1HB SER 63 5.244 2.264 -4.439 710 HG SER 63 HG SER 63 5.299 4.305 -3.853 711 H SER 64 H SER 64 2.503 0.131 -1.926 712 HA SER 64 HA SER 64 4.043 -1.100 0.114 713 HB2 SER 64 2HB SER 64 1.958 -2.805 -0.946 714 HB3 SER 64 1HB SER 64 2.055 -2.004 0.622 715 HG SER 64 HG SER 64 0.411 -1.419 -1.289 716 H TYR 65 H TYR 65 5.140 -3.030 0.128 717 HA TYR 65 HA TYR 65 5.895 -4.037 -2.536 718 HB2 TYR 65 2HB TYR 65 7.549 -3.810 -0.013 719 HB3 TYR 65 1HB TYR 65 8.086 -4.629 -1.478 720 HD1 TYR 65 1HD TYR 65 8.069 -3.211 -3.650 721 HD2 TYR 65 2HD TYR 65 7.992 -1.538 0.260 722 HE1 TYR 65 1HE TYR 65 8.874 -1.078 -4.557 723 HE2 TYR 65 2HE TYR 65 8.806 0.605 -0.637 724 HH TYR 65 HH TYR 65 9.867 0.908 -3.958 725 H THR 66 H THR 66 6.545 -6.308 -2.623 726 HA THR 66 HA THR 66 5.742 -7.980 -0.405 727 HB THR 66 HB THR 66 3.678 -7.504 -1.849 728 HG1 THR 66 1HG THR 66 3.735 -9.198 -0.342 729 HG21 THR 66 3HG2 THR 66 4.246 -7.757 -4.065 730 HG22 THR 66 1HG2 THR 66 3.601 -9.364 -3.716 731 HG23 THR 66 2HG2 THR 66 5.345 -9.095 -3.738 732 H LYS 67 H LYS 67 6.311 -10.192 -0.679 733 HA LYS 67 HA LYS 67 8.028 -10.929 -2.883 734 HB2 LYS 67 2HB LYS 67 9.312 -9.646 -0.955 735 HB3 LYS 67 1HB LYS 67 9.239 -11.219 -0.170 736 HG2 LYS 67 2HG LYS 67 10.120 -11.437 -2.916 737 HG3 LYS 67 1HG LYS 67 11.146 -10.351 -1.979 738 HD2 LYS 67 2HD LYS 67 10.704 -12.512 -0.291 739 HD3 LYS 67 1HD LYS 67 10.934 -13.239 -1.883 740 HE2 LYS 67 2HE LYS 67 12.932 -11.465 -1.931 741 HE3 LYS 67 1HE LYS 67 12.832 -11.719 -0.191 742 HZ1 LYS 67 3HZ LYS 67 12.986 -14.154 -0.670 743 HZ2 LYS 67 1HZ LYS 67 14.381 -13.268 -1.057 744 HZ3 LYS 67 2HZ LYS 67 13.324 -13.760 -2.286 745 H SER 68 H SER 68 7.734 -12.022 0.487 746 HA SER 68 HA SER 68 7.291 -14.732 -0.306 747 HB2 SER 68 2HB SER 68 6.672 -14.337 2.452 748 HB3 SER 68 1HB SER 68 8.114 -15.065 1.746 749 HG SER 68 HG SER 68 8.531 -13.215 3.094 750 H GLY 69 H GLY 69 5.256 -12.508 -0.907 751 HA2 GLY 69 1HA GLY 69 3.015 -12.820 -1.483 752 HA3 GLY 69 2HA GLY 69 2.949 -14.192 -0.390 753 H MET 70 H MET 70 4.365 -11.718 1.270 754 HA MET 70 HA MET 70 1.805 -11.051 2.535 755 HB2 MET 70 2HB MET 70 4.582 -10.580 3.638 756 HB3 MET 70 1HB MET 70 3.057 -10.452 4.504 757 HG2 MET 70 2HG MET 70 2.746 -12.930 3.991 758 HG3 MET 70 1HG MET 70 4.453 -12.924 3.545 759 HE1 MET 70 3HE MET 70 6.425 -12.778 5.211 760 HE2 MET 70 1HE MET 70 5.929 -11.106 5.469 761 HE3 MET 70 2HE MET 70 6.274 -12.144 6.852 762 H ILE 71 H ILE 71 1.085 -8.982 2.675 763 HA ILE 71 HA ILE 71 2.398 -6.968 1.068 764 HB ILE 71 HB ILE 71 0.222 -6.049 2.814 765 HG12 ILE 71 2HG1 ILE 71 -1.304 -7.328 0.928 766 HG13 ILE 71 1HG1 ILE 71 -0.081 -8.542 1.288 767 HG21 ILE 71 1HG2 ILE 71 1.242 -5.635 0.121 768 HG22 ILE 71 2HG2 ILE 71 -0.521 -5.675 0.193 769 HG23 ILE 71 3HG2 ILE 71 0.377 -4.534 1.193 770 HD11 ILE 71 3HD1 ILE 71 -0.673 -7.965 3.767 771 HD12 ILE 71 1HD1 ILE 71 -2.176 -7.386 3.046 772 HD13 ILE 71 2HD1 ILE 71 -1.681 -9.064 2.826 773 H LEU 72 H LEU 72 3.837 -5.534 1.822 774 HA LEU 72 HA LEU 72 3.915 -5.011 4.712 775 HB2 LEU 72 2HB LEU 72 5.988 -6.249 3.007 776 HB3 LEU 72 1HB LEU 72 6.555 -4.990 4.087 777 HG LEU 72 HG LEU 72 5.298 -6.340 5.926 778 HD11 LEU 72 1HD1 LEU 72 4.680 -8.469 5.539 779 HD12 LEU 72 2HD1 LEU 72 4.482 -7.882 3.888 780 HD13 LEU 72 3HD1 LEU 72 5.952 -8.741 4.348 781 HD21 LEU 72 3HD2 LEU 72 7.306 -7.261 6.536 782 HD22 LEU 72 1HD2 LEU 72 7.704 -7.752 4.888 783 HD23 LEU 72 2HD2 LEU 72 7.842 -6.057 5.361 784 H CYS 73 H CYS 73 4.708 -2.973 5.290 785 HA CYS 73 HA CYS 73 4.509 -0.949 3.296 786 HB2 CYS 73 2HB CYS 73 4.974 0.632 5.070 787 HB3 CYS 73 1HB CYS 73 3.844 -0.577 5.658 788 H ARG 74 H ARG 74 6.260 0.765 3.158 789 HA ARG 74 HA ARG 74 8.474 -0.379 1.869 790 HB2 ARG 74 2HB ARG 74 8.567 2.435 2.889 791 HB3 ARG 74 1HB ARG 74 9.130 1.789 1.353 792 HG2 ARG 74 2HG ARG 74 6.695 1.417 0.771 793 HG3 ARG 74 1HG ARG 74 6.311 2.398 2.187 794 HD2 ARG 74 2HD ARG 74 6.291 3.919 0.412 795 HD3 ARG 74 1HD ARG 74 7.871 4.150 1.163 796 HE ARG 74 HE ARG 74 7.774 2.285 -1.060 797 HH11 ARG 74 2HH1 ARG 74 8.403 5.557 -0.006 798 HH12 ARG 74 1HH1 ARG 74 9.409 5.946 -1.365 799 HH21 ARG 74 2HH2 ARG 74 9.098 2.772 -2.847 800 HH22 ARG 74 1HH2 ARG 74 9.820 4.353 -2.993 801 H ASN 75 H ASN 75 8.032 0.862 5.112 802 HA ASN 75 HA ASN 75 10.819 0.860 5.776 803 HB2 ASN 75 2HB ASN 75 10.014 2.202 7.378 804 HB3 ASN 75 1HB ASN 75 8.362 1.742 6.985 805 HD21 ASN 75 1HD2 ASN 75 7.322 0.201 8.212 806 HD22 ASN 75 2HD2 ASN 75 7.951 -0.373 9.721 807 H ASP 76 H ASP 76 8.105 -1.339 6.261 808 HA ASP 76 HA ASP 76 9.470 -3.053 8.073 809 HB2 ASP 76 2HB ASP 76 6.848 -2.884 6.881 810 HB3 ASP 76 1HB ASP 76 7.438 -4.544 6.843 811 H TYR 77 H TYR 77 8.731 -3.279 4.608 812 HA TYR 77 HA TYR 77 9.725 -5.860 4.249 813 HB2 TYR 77 2HB TYR 77 8.353 -4.878 2.536 814 HB3 TYR 77 1HB TYR 77 9.528 -3.589 2.267 815 HD1 TYR 77 1HD TYR 77 9.784 -7.302 2.557 816 HD2 TYR 77 2HD TYR 77 10.570 -3.841 0.209 817 HE1 TYR 77 1HE TYR 77 10.948 -8.693 0.903 818 HE2 TYR 77 2HE TYR 77 11.741 -5.226 -1.450 819 HH TYR 77 HH TYR 77 12.964 -8.043 -0.927 820 H ILE 78 H ILE 78 11.375 -2.739 3.856 821 HA ILE 78 HA ILE 78 13.798 -3.853 2.911 822 HB ILE 78 HB ILE 78 13.246 -1.185 4.212 823 HG12 ILE 78 2HG1 ILE 78 13.786 -1.878 1.317 824 HG13 ILE 78 1HG1 ILE 78 12.174 -1.701 1.996 825 HG21 ILE 78 1HG2 ILE 78 15.514 -1.364 4.583 826 HG22 ILE 78 2HG2 ILE 78 15.781 -2.359 3.151 827 HG23 ILE 78 3HG2 ILE 78 15.480 -0.628 2.981 828 HD11 ILE 78 3HD1 ILE 78 12.544 0.360 1.036 829 HD12 ILE 78 1HD1 ILE 78 12.998 0.642 2.716 830 HD13 ILE 78 2HD1 ILE 78 14.247 0.387 1.497 831 H ARG 79 H ARG 79 12.663 -3.002 6.146 832 HA ARG 79 HA ARG 79 15.152 -3.467 7.443 833 HB2 ARG 79 2HB ARG 79 12.410 -2.806 8.228 834 HB3 ARG 79 1HB ARG 79 13.239 -3.833 9.389 835 HG2 ARG 79 2HG ARG 79 14.860 -2.239 9.837 836 HG3 ARG 79 1HG ARG 79 14.558 -1.364 8.334 837 HD2 ARG 79 2HD ARG 79 13.363 0.033 9.601 838 HD3 ARG 79 1HD ARG 79 12.131 -1.226 9.591 839 HE ARG 79 HE ARG 79 14.137 -1.376 11.697 840 HH11 ARG 79 2HH1 ARG 79 10.925 -0.351 10.751 841 HH12 ARG 79 1HH1 ARG 79 10.313 -0.328 12.380 842 HH21 ARG 79 2HH2 ARG 79 13.357 -1.333 13.842 843 HH22 ARG 79 1HH2 ARG 79 11.700 -0.875 14.145 844 H LEU 80 H LEU 80 12.263 -5.448 6.907 845 HA LEU 80 HA LEU 80 13.251 -7.635 8.472 846 HB2 LEU 80 2HB LEU 80 10.911 -7.261 6.629 847 HB3 LEU 80 1HB LEU 80 11.316 -8.845 7.266 848 HG LEU 80 HG LEU 80 10.764 -6.453 9.020 849 HD11 LEU 80 1HD1 LEU 80 8.803 -8.644 8.837 850 HD12 LEU 80 2HD1 LEU 80 8.557 -6.909 9.039 851 HD13 LEU 80 3HD1 LEU 80 8.894 -7.573 7.440 852 HD21 LEU 80 3HD2 LEU 80 10.231 -8.944 10.258 853 HD22 LEU 80 1HD2 LEU 80 11.823 -9.054 9.507 854 HD23 LEU 80 2HD2 LEU 80 11.484 -7.767 10.664 855 H PHE 81 H PHE 81 12.591 -7.333 4.972 856 HA PHE 81 HA PHE 81 14.251 -9.721 4.560 857 HB2 PHE 81 2HB PHE 81 12.338 -8.438 2.601 858 HB3 PHE 81 1HB PHE 81 13.115 -10.005 2.446 859 HD1 PHE 81 1HD PHE 81 10.568 -8.099 4.311 860 HD2 PHE 81 2HD PHE 81 12.169 -11.942 3.422 861 HE1 PHE 81 1HE PHE 81 8.604 -9.155 5.349 862 HE2 PHE 81 2HE PHE 81 10.200 -13.002 4.456 863 HZ PHE 81 HZ PHE 81 8.420 -11.607 5.426 864 H GLY 82 H GLY 82 13.471 -6.845 2.608 865 HA2 GLY 82 1HA GLY 82 14.895 -5.417 1.462 866 HA3 GLY 82 2HA GLY 82 16.265 -6.235 2.204 Start of MODEL 15 1 H SER 641 1H SER 641 -8.508 -11.361 -24.528 2 HA SER 641 HA SER 641 -8.002 -14.017 -25.276 3 HB2 SER 641 2HB SER 641 -9.873 -12.610 -26.963 4 HB3 SER 641 1HB SER 641 -10.189 -13.820 -25.716 5 HG SER 641 HG SER 641 -10.688 -12.288 -24.344 6 H LEU 642 H LEU 642 -7.812 -10.976 -27.143 7 HA LEU 642 HA LEU 642 -6.446 -12.505 -29.266 8 HB2 LEU 642 2HB LEU 642 -8.123 -10.004 -29.466 9 HB3 LEU 642 1HB LEU 642 -7.215 -10.696 -30.796 10 HG LEU 642 HG LEU 642 -8.912 -12.709 -29.648 11 HD11 LEU 642 1HD1 LEU 642 -10.305 -10.875 -28.887 12 HD12 LEU 642 2HD1 LEU 642 -10.295 -10.172 -30.505 13 HD13 LEU 642 3HD1 LEU 642 -11.080 -11.728 -30.222 14 HD21 LEU 642 3HD2 LEU 642 -9.296 -13.208 -31.827 15 HD22 LEU 642 1HD2 LEU 642 -9.461 -11.519 -32.302 16 HD23 LEU 642 2HD2 LEU 642 -7.860 -12.210 -32.045 17 H GLN 643 H GLN 643 -4.785 -11.861 -27.367 18 HA GLN 643 HA GLN 643 -3.699 -9.215 -27.607 19 HB2 GLN 643 2HB GLN 643 -3.185 -11.612 -25.968 20 HB3 GLN 643 1HB GLN 643 -1.771 -10.623 -26.305 21 HG2 GLN 643 2HG GLN 643 -2.525 -9.721 -24.335 22 HG3 GLN 643 1HG GLN 643 -3.272 -8.660 -25.527 23 HE21 GLN 643 1HE2 GLN 643 -4.377 -8.572 -23.159 24 HE22 GLN 643 2HE2 GLN 643 -5.875 -9.442 -23.105 25 H ASN 644 H ASN 644 -3.522 -9.471 -29.990 26 HA ASN 644 HA ASN 644 -1.194 -10.984 -30.895 27 HB2 ASN 644 2HB ASN 644 -1.924 -10.472 -33.136 28 HB3 ASN 644 1HB ASN 644 -3.323 -11.011 -32.215 29 HD21 ASN 644 1HD2 ASN 644 -5.009 -9.636 -31.898 30 HD22 ASN 644 2HD2 ASN 644 -5.112 -8.056 -32.602 31 H ASN 645 H ASN 645 -1.517 -8.241 -29.355 32 HA ASN 645 HA ASN 645 0.511 -6.808 -30.934 33 HB2 ASN 645 2HB ASN 645 -2.007 -5.899 -30.638 34 HB3 ASN 645 1HB ASN 645 -1.293 -5.244 -29.169 35 HD21 ASN 645 1HD2 ASN 645 -2.094 -4.413 -32.144 36 HD22 ASN 645 2HD2 ASN 645 -0.856 -3.243 -32.499 37 H GLN 646 H GLN 646 1.657 -5.148 -29.503 38 HA GLN 646 HA GLN 646 2.536 -6.489 -27.070 39 HB2 GLN 646 2HB GLN 646 4.052 -5.365 -28.869 40 HB3 GLN 646 1HB GLN 646 3.591 -3.859 -28.087 41 HG2 GLN 646 2HG GLN 646 4.359 -5.185 -25.924 42 HG3 GLN 646 1HG GLN 646 5.322 -6.056 -27.116 43 HE21 GLN 646 1HE2 GLN 646 4.813 -3.023 -25.504 44 HE22 GLN 646 2HE2 GLN 646 6.274 -2.268 -26.045 45 H ASP 647 H ASP 647 2.758 -5.229 -25.048 46 HA ASP 647 HA ASP 647 0.470 -3.589 -24.509 47 HB2 ASP 647 2HB ASP 647 1.723 -5.098 -22.833 48 HB3 ASP 647 1HB ASP 647 2.898 -3.789 -22.729 49 H VAL 648 H VAL 648 0.351 -1.621 -25.338 50 HA VAL 648 HA VAL 648 2.579 -0.259 -26.398 51 HB VAL 648 HB VAL 648 0.020 1.169 -25.772 52 HG11 VAL 648 1HG1 VAL 648 0.587 2.555 -27.475 53 HG12 VAL 648 2HG1 VAL 648 2.205 2.021 -27.025 54 HG13 VAL 648 3HG1 VAL 648 1.384 1.282 -28.399 55 HG21 VAL 648 3HG2 VAL 648 -0.383 -1.206 -26.689 56 HG22 VAL 648 1HG2 VAL 648 -1.173 0.150 -27.496 57 HG23 VAL 648 2HG2 VAL 648 0.272 -0.575 -28.201 58 H SER 649 H SER 649 4.123 0.581 -25.202 59 HA SER 649 HA SER 649 3.754 1.626 -22.586 60 HB2 SER 649 2HB SER 649 6.139 2.603 -23.914 61 HB3 SER 649 1HB SER 649 5.997 1.495 -22.548 62 HG SER 649 HG SER 649 6.647 0.947 -25.080 63 H PHE 650 H PHE 650 3.726 3.760 -21.905 64 HA PHE 650 HA PHE 650 2.561 5.605 -23.802 65 HB2 PHE 650 2HB PHE 650 3.011 5.665 -20.820 66 HB3 PHE 650 1HB PHE 650 2.467 7.092 -21.695 67 HD1 PHE 650 2HD PHE 650 1.602 3.494 -21.231 68 HD2 PHE 650 1HD PHE 650 0.216 7.455 -21.931 69 HE1 PHE 650 2HE PHE 650 -0.720 2.704 -21.061 70 HE2 PHE 650 1HE PHE 650 -2.109 6.672 -21.756 71 HZ PHE 650 HZ PHE 650 -2.581 4.294 -21.323 72 H GLU 651 H GLU 651 3.350 7.708 -24.234 73 HA GLU 651 HA GLU 651 6.237 8.015 -24.057 74 HB2 GLU 651 2HB GLU 651 4.981 10.387 -25.030 75 HB3 GLU 651 1HB GLU 651 5.976 9.240 -25.912 76 HG2 GLU 651 2HG GLU 651 4.020 9.291 -27.139 77 HG3 GLU 651 1HG GLU 651 3.815 7.860 -26.130 78 H ASN 652 H ASN 652 3.298 9.244 -22.652 79 HA ASN 652 HA ASN 652 4.248 11.359 -21.119 80 HB2 ASN 652 2HB ASN 652 2.028 9.382 -20.812 81 HB3 ASN 652 1HB ASN 652 2.470 10.337 -19.401 82 HD21 ASN 652 1HD2 ASN 652 1.903 12.448 -19.299 83 HD22 ASN 652 2HD2 ASN 652 0.994 13.263 -20.533 84 H ILE 653 H ILE 653 4.068 7.909 -20.279 85 HA ILE 653 HA ILE 653 6.124 8.358 -18.233 86 HB ILE 653 HB ILE 653 4.915 5.673 -18.457 87 HG12 ILE 653 2HG1 ILE 653 3.272 7.788 -17.096 88 HG13 ILE 653 1HG1 ILE 653 3.040 7.455 -18.809 89 HG21 ILE 653 1HG2 ILE 653 6.542 6.798 -16.697 90 HG22 ILE 653 2HG2 ILE 653 5.013 7.254 -15.950 91 HG23 ILE 653 3HG2 ILE 653 5.384 5.553 -16.231 92 HD11 ILE 653 3HD1 ILE 653 2.913 5.305 -16.725 93 HD12 ILE 653 1HD1 ILE 653 1.508 6.265 -17.193 94 HD13 ILE 653 2HD1 ILE 653 2.328 5.259 -18.388 95 H GLN 654 H GLN 654 7.629 8.606 -20.061 96 HA GLN 654 HA GLN 654 8.218 6.306 -21.681 97 HB2 GLN 654 2HB GLN 654 9.033 9.100 -21.550 98 HB3 GLN 654 1HB GLN 654 10.389 8.026 -21.873 99 HG2 GLN 654 2HG GLN 654 7.830 8.158 -23.456 100 HG3 GLN 654 1HG GLN 654 9.381 8.851 -23.930 101 HE21 GLN 654 1HE2 GLN 654 7.535 5.938 -23.557 102 HE22 GLN 654 2HE2 GLN 654 8.640 4.885 -24.381 103 H TRP 655 H TRP 655 8.344 5.147 -19.447 104 HA TRP 655 HA TRP 655 11.040 5.331 -18.320 105 HB2 TRP 655 2HB TRP 655 10.202 4.184 -16.394 106 HB3 TRP 655 1HB TRP 655 9.032 5.430 -16.804 107 HD1 TRP 655 HD TRP 655 6.958 4.316 -18.541 108 HE1 TRP 655 1HE TRP 655 5.599 2.183 -18.060 109 HE3 TRP 655 3HE TRP 655 10.143 2.086 -15.226 110 HZ2 TRP 655 2HZ TRP 655 5.855 -0.139 -16.472 111 HZ3 TRP 655 3HZ TRP 655 9.507 -0.091 -14.267 112 HH2 TRP 655 HH TRP 655 7.403 -1.179 -14.879 113 H SER 656 H SER 656 12.383 3.548 -18.144 114 HA SER 656 HA SER 656 11.621 1.218 -19.771 115 HB2 SER 656 2HB SER 656 14.373 1.088 -19.282 116 HB3 SER 656 1HB SER 656 13.594 1.588 -20.786 117 HG SER 656 HG SER 656 13.593 3.741 -19.952 118 H ILE 657 H ILE 657 12.641 -0.869 -18.963 119 HA ILE 657 HA ILE 657 11.961 -1.173 -16.188 120 HB ILE 657 HB ILE 657 13.011 -3.110 -18.246 121 HG12 ILE 657 2HG1 ILE 657 10.610 -2.157 -18.243 122 HG13 ILE 657 1HG1 ILE 657 10.809 -3.900 -18.388 123 HG21 ILE 657 1HG2 ILE 657 12.067 -3.894 -15.502 124 HG22 ILE 657 2HG2 ILE 657 12.875 -4.890 -16.712 125 HG23 ILE 657 3HG2 ILE 657 13.771 -3.625 -15.874 126 HD11 ILE 657 3HD1 ILE 657 9.056 -2.809 -16.739 127 HD12 ILE 657 1HD1 ILE 657 9.904 -4.302 -16.341 128 HD13 ILE 657 2HD1 ILE 657 10.458 -2.769 -15.668 129 H ASP 658 H ASP 658 13.314 -0.384 -14.746 130 HA ASP 658 HA ASP 658 16.135 -0.238 -15.039 131 HB2 ASP 658 2HB ASP 658 14.269 0.828 -13.286 132 HB3 ASP 658 1HB ASP 658 15.166 -0.300 -12.274 133 HA PRO 659 HA PRO 659 17.019 -4.509 -14.257 134 HB2 PRO 659 2HB PRO 659 19.764 -3.632 -13.659 135 HB3 PRO 659 1HB PRO 659 19.172 -4.669 -14.960 136 HG2 PRO 659 2HG PRO 659 20.044 -2.173 -15.435 137 HG3 PRO 659 1HG PRO 659 18.703 -2.890 -16.351 138 HD2 PRO 659 2HD PRO 659 18.616 -0.940 -14.073 139 HD3 PRO 659 1HD PRO 659 17.672 -0.958 -15.579 140 H GLY 660 H GLY 660 15.714 -3.923 -12.155 141 HA2 GLY 660 1HA GLY 660 15.465 -4.536 -9.954 142 HA3 GLY 660 2HA GLY 660 17.027 -5.329 -10.079 143 H ALA 661 H ALA 661 16.452 -1.892 -10.584 144 HA ALA 661 HA ALA 661 18.500 -1.234 -8.683 145 HB1 ALA 661 1HB ALA 661 18.504 0.242 -10.450 146 HB2 ALA 661 2HB ALA 661 16.743 0.334 -10.518 147 HB3 ALA 661 3HB ALA 661 17.620 1.159 -9.229 148 H ASP 662 H ASP 662 15.076 -0.256 -8.892 149 HA ASP 662 HA ASP 662 15.047 0.000 -5.967 150 HB2 ASP 662 2HB ASP 662 14.233 1.857 -7.684 151 HB3 ASP 662 1HB ASP 662 12.751 0.907 -7.661 152 H LEU 663 H LEU 663 12.420 -0.320 -5.389 153 HA LEU 663 HA LEU 663 12.033 -3.177 -5.984 154 HB2 LEU 663 2HB LEU 663 10.776 -1.605 -3.740 155 HB3 LEU 663 1HB LEU 663 10.849 -3.348 -3.914 156 HG LEU 663 HG LEU 663 13.381 -1.764 -3.659 157 HD11 LEU 663 1HD1 LEU 663 11.451 -1.470 -1.790 158 HD12 LEU 663 2HD1 LEU 663 12.278 -2.908 -1.189 159 HD13 LEU 663 3HD1 LEU 663 13.180 -1.415 -1.450 160 HD21 LEU 663 3HD2 LEU 663 13.047 -4.370 -2.359 161 HD22 LEU 663 1HD2 LEU 663 12.890 -4.402 -4.116 162 HD23 LEU 663 2HD2 LEU 663 14.356 -3.763 -3.372 163 H SER 664 H SER 664 11.234 -0.864 -7.629 164 HA SER 664 HA SER 664 8.508 -0.314 -7.474 165 HB2 SER 664 2HB SER 664 9.684 -0.401 -10.176 166 HB3 SER 664 1HB SER 664 8.918 0.939 -9.316 167 HG SER 664 HG SER 664 11.379 0.874 -9.755 168 H GLN 665 H GLN 665 10.187 -3.083 -8.763 169 HA GLN 665 HA GLN 665 7.885 -4.056 -10.213 170 HB2 GLN 665 2HB GLN 665 10.699 -4.847 -9.879 171 HB3 GLN 665 1HB GLN 665 9.582 -6.197 -10.027 172 HG2 GLN 665 2HG GLN 665 10.504 -5.536 -12.184 173 HG3 GLN 665 1HG GLN 665 8.756 -5.324 -12.127 174 HE21 GLN 665 1HE2 GLN 665 8.305 -3.670 -13.400 175 HE22 GLN 665 2HE2 GLN 665 9.085 -2.124 -13.352 176 H TYR 666 H TYR 666 9.065 -4.217 -7.008 177 HA TYR 666 HA TYR 666 7.584 -6.643 -6.352 178 HB2 TYR 666 2HB TYR 666 9.415 -4.835 -4.777 179 HB3 TYR 666 1HB TYR 666 8.431 -6.066 -3.988 180 HD1 TYR 666 1HD TYR 666 8.773 -8.481 -4.633 181 HD2 TYR 666 2HD TYR 666 11.444 -5.394 -5.837 182 HE1 TYR 666 1HE TYR 666 10.498 -10.166 -5.117 183 HE2 TYR 666 2HE TYR 666 13.173 -7.071 -6.323 184 HH TYR 666 HH TYR 666 13.762 -9.221 -6.118 185 H LYS 667 H LYS 667 7.241 -3.246 -6.328 186 HA LYS 667 HA LYS 667 5.169 -3.141 -4.347 187 HB2 LYS 667 2HB LYS 667 5.621 -0.958 -4.413 188 HB3 LYS 667 1HB LYS 667 6.788 -1.268 -5.679 189 HG2 LYS 667 2HG LYS 667 4.353 -1.201 -7.004 190 HG3 LYS 667 1HG LYS 667 4.244 0.090 -5.808 191 HD2 LYS 667 2HD LYS 667 6.091 1.217 -6.686 192 HD3 LYS 667 1HD LYS 667 6.673 -0.213 -7.538 193 HE2 LYS 667 2HE LYS 667 4.022 0.972 -8.250 194 HE3 LYS 667 1HE LYS 667 5.504 1.709 -8.856 195 HZ1 LYS 667 3HZ LYS 667 4.199 -0.286 -10.075 196 HZ2 LYS 667 1HZ LYS 667 5.351 -1.164 -9.186 197 HZ3 LYS 667 2HZ LYS 667 5.855 0.031 -10.278 198 H MET 668 H MET 668 3.019 -3.096 -4.639 199 HA MET 668 HA MET 668 1.994 -3.923 -7.236 200 HB2 MET 668 2HB MET 668 0.605 -3.538 -4.581 201 HB3 MET 668 1HB MET 668 -0.154 -4.186 -6.030 202 HG2 MET 668 2HG MET 668 0.816 -6.207 -5.791 203 HG3 MET 668 1HG MET 668 2.294 -5.538 -5.100 204 HE1 MET 668 3HE MET 668 0.577 -4.507 -1.530 205 HE2 MET 668 1HE MET 668 1.871 -4.055 -2.643 206 HE3 MET 668 2HE MET 668 0.197 -3.640 -3.018 207 H ASP 669 H ASP 669 1.174 -2.506 -8.650 208 HA ASP 669 HA ASP 669 1.057 0.271 -7.988 209 HB2 ASP 669 2HB ASP 669 0.768 -1.355 -10.411 210 HB3 ASP 669 1HB ASP 669 -0.283 0.059 -10.379 211 H VAL 670 H VAL 670 -0.501 1.196 -6.876 212 HA VAL 670 HA VAL 670 -2.899 -0.327 -6.343 213 HB VAL 670 HB VAL 670 -2.268 2.385 -5.196 214 HG11 VAL 670 1HG1 VAL 670 -3.440 0.905 -3.242 215 HG12 VAL 670 2HG1 VAL 670 -4.309 1.971 -4.347 216 HG13 VAL 670 3HG1 VAL 670 -4.209 0.243 -4.685 217 HG21 VAL 670 3HG2 VAL 670 -0.378 0.618 -4.992 218 HG22 VAL 670 1HG2 VAL 670 -0.898 1.488 -3.548 219 HG23 VAL 670 2HG2 VAL 670 -1.460 -0.159 -3.837 220 H THR 671 H THR 671 -4.432 -0.202 -7.808 221 HA THR 671 HA THR 671 -5.134 2.350 -9.022 222 HB THR 671 HB THR 671 -6.741 -0.161 -9.425 223 HG1 THR 671 1HG THR 671 -4.177 -0.229 -9.670 224 HG21 THR 671 3HG2 THR 671 -7.265 0.770 -11.497 225 HG22 THR 671 1HG2 THR 671 -5.851 1.823 -11.496 226 HG23 THR 671 2HG2 THR 671 -7.213 2.176 -10.432 227 H VAL 672 H VAL 672 -6.407 3.690 -7.892 228 HA VAL 672 HA VAL 672 -8.070 2.590 -5.760 229 HB VAL 672 HB VAL 672 -7.724 5.512 -6.412 230 HG11 VAL 672 1HG1 VAL 672 -9.018 3.969 -4.317 231 HG12 VAL 672 2HG1 VAL 672 -7.893 5.168 -3.678 232 HG13 VAL 672 3HG1 VAL 672 -9.204 5.670 -4.750 233 HG21 VAL 672 3HG2 VAL 672 -5.636 5.557 -5.628 234 HG22 VAL 672 1HG2 VAL 672 -6.070 4.574 -4.229 235 HG23 VAL 672 2HG2 VAL 672 -5.635 3.799 -5.753 236 H ILE 673 H ILE 673 -10.077 2.023 -6.240 237 HA ILE 673 HA ILE 673 -11.420 3.116 -8.563 238 HB ILE 673 HB ILE 673 -12.219 0.982 -6.584 239 HG12 ILE 673 2HG1 ILE 673 -12.175 -0.078 -9.142 240 HG13 ILE 673 1HG1 ILE 673 -10.808 1.032 -9.145 241 HG21 ILE 673 1HG2 ILE 673 -14.043 2.512 -7.798 242 HG22 ILE 673 2HG2 ILE 673 -13.754 1.340 -9.084 243 HG23 ILE 673 3HG2 ILE 673 -14.286 0.791 -7.494 244 HD11 ILE 673 3HD1 ILE 673 -10.590 -1.488 -8.376 245 HD12 ILE 673 1HD1 ILE 673 -9.632 -0.198 -7.647 246 HD13 ILE 673 2HD1 ILE 673 -11.077 -0.794 -6.831 247 H ASP 674 H ASP 674 -12.829 4.731 -8.525 248 HA ASP 674 HA ASP 674 -13.574 5.816 -5.931 249 HB2 ASP 674 2HB ASP 674 -13.669 7.874 -6.892 250 HB3 ASP 674 1HB ASP 674 -12.598 7.109 -8.050 251 H THR 675 H THR 675 -15.431 5.386 -5.044 252 HA THR 675 HA THR 675 -17.420 3.902 -6.528 253 HB THR 675 HB THR 675 -18.352 4.325 -3.921 254 HG1 THR 675 1HG THR 675 -16.181 3.431 -2.972 255 HG21 THR 675 3HG2 THR 675 -17.735 2.205 -5.630 256 HG22 THR 675 1HG2 THR 675 -18.518 2.101 -4.052 257 HG23 THR 675 2HG2 THR 675 -16.769 1.918 -4.181 258 H LYS 676 H LYS 676 -17.831 5.958 -7.812 259 HA LYS 676 HA LYS 676 -19.403 8.010 -6.573 260 HB2 LYS 676 2HB LYS 676 -19.977 8.177 -9.251 261 HB3 LYS 676 1HB LYS 676 -18.633 8.979 -8.451 262 HG2 LYS 676 2HG LYS 676 -17.093 7.603 -9.354 263 HG3 LYS 676 1HG LYS 676 -18.165 6.203 -9.323 264 HD2 LYS 676 2HD LYS 676 -19.297 6.933 -11.286 265 HD3 LYS 676 1HD LYS 676 -18.485 8.500 -11.242 266 HE2 LYS 676 2HE LYS 676 -17.674 6.508 -12.820 267 HE3 LYS 676 1HE LYS 676 -16.557 7.676 -12.118 268 HZ1 LYS 676 3HZ LYS 676 -17.196 5.154 -10.714 269 HZ2 LYS 676 1HZ LYS 676 -15.841 6.164 -10.523 270 HZ3 LYS 676 2HZ LYS 676 -16.001 5.203 -11.915 271 H ASP 677 H ASP 677 -20.025 4.885 -7.756 272 HA ASP 677 HA ASP 677 -22.808 5.333 -8.354 273 HB2 ASP 677 2HB ASP 677 -21.091 3.633 -9.439 274 HB3 ASP 677 1HB ASP 677 -21.598 2.609 -8.101 275 H GLY 678 H GLY 678 -24.178 3.396 -7.406 276 HA2 GLY 678 1HA GLY 678 -25.009 2.260 -5.543 277 HA3 GLY 678 2HA GLY 678 -23.644 2.852 -4.610 278 H SER 679 H SER 679 -23.776 5.492 -4.718 279 HA SER 679 HA SER 679 -26.095 6.065 -3.107 280 HB2 SER 679 2HB SER 679 -24.504 8.392 -3.582 281 HB3 SER 679 1HB SER 679 -24.636 7.434 -2.107 282 HG SER 679 HG SER 679 -22.483 7.672 -3.278 283 H GLN 680 H GLN 680 -25.679 6.034 -6.350 284 HA GLN 680 HA GLN 680 -26.919 8.599 -6.943 285 HB2 GLN 680 2HB GLN 680 -25.759 6.395 -8.626 286 HB3 GLN 680 1HB GLN 680 -26.730 7.672 -9.348 287 HG2 GLN 680 2HG GLN 680 -25.157 9.335 -8.403 288 HG3 GLN 680 1HG GLN 680 -24.163 8.004 -7.813 289 HE21 GLN 680 1HE2 GLN 680 -22.384 8.379 -9.021 290 HE22 GLN 680 2HE2 GLN 680 -22.341 8.280 -10.753 291 H SER 681 H SER 681 -28.505 6.818 -5.428 292 HA SER 681 HA SER 681 -30.310 5.339 -7.023 293 HB2 SER 681 2HB SER 681 -31.278 6.375 -4.433 294 HB3 SER 681 1HB SER 681 -31.223 4.721 -5.042 295 HG SER 681 HG SER 681 -29.191 4.498 -4.351 296 H LYS 682 H LYS 682 -30.076 8.707 -6.304 297 HA LYS 682 HA LYS 682 -32.854 9.313 -6.715 298 HB2 LYS 682 2HB LYS 682 -30.361 10.975 -6.474 299 HB3 LYS 682 1HB LYS 682 -31.894 11.702 -6.935 300 HG2 LYS 682 2HG LYS 682 -32.247 10.047 -4.619 301 HG3 LYS 682 1HG LYS 682 -30.942 11.206 -4.355 302 HD2 LYS 682 2HD LYS 682 -32.400 12.871 -4.124 303 HD3 LYS 682 1HD LYS 682 -33.149 12.485 -5.675 304 HE2 LYS 682 2HE LYS 682 -34.400 10.654 -4.468 305 HE3 LYS 682 1HE LYS 682 -33.815 11.361 -2.962 306 HZ1 LYS 682 3HZ LYS 682 -35.750 12.431 -4.896 307 HZ2 LYS 682 1HZ LYS 682 -34.814 13.520 -3.994 308 HZ3 LYS 682 2HZ LYS 682 -35.816 12.406 -3.199 309 H LEU 683 H LEU 683 -30.303 8.527 -8.759 310 HA LEU 683 HA LEU 683 -31.163 10.094 -11.020 311 HB2 LEU 683 2HB LEU 683 -28.879 8.563 -10.332 312 HB3 LEU 683 1HB LEU 683 -29.556 7.849 -11.781 313 HG LEU 683 HG LEU 683 -28.842 9.528 -13.085 314 HD11 LEU 683 1HD1 LEU 683 -28.943 11.939 -12.400 315 HD12 LEU 683 2HD1 LEU 683 -30.498 11.103 -12.423 316 HD13 LEU 683 3HD1 LEU 683 -29.681 11.408 -10.889 317 HD21 LEU 683 3HD2 LEU 683 -27.069 11.008 -11.688 318 HD22 LEU 683 1HD2 LEU 683 -27.236 9.610 -10.627 319 HD23 LEU 683 2HD2 LEU 683 -26.739 9.388 -12.306 320 H GLY 684 H GLY 684 -31.149 6.632 -10.203 321 HA2 GLY 684 1HA GLY 684 -32.874 5.096 -10.605 322 HA3 GLY 684 2HA GLY 684 -33.681 6.298 -11.606 323 H GLY 685 H GLY 685 -32.872 6.664 -13.752 324 HA2 GLY 685 1HA GLY 685 -31.202 5.964 -15.444 325 HA3 GLY 685 2HA GLY 685 -31.389 4.338 -14.807 326 H GLY 901 H GLY 901 -31.857 5.596 -17.508 327 HA2 GLY 901 1HA GLY 901 -34.658 5.536 -18.013 328 HA3 GLY 901 2HA GLY 901 -33.386 5.465 -19.226 329 H GLY 902 H GLY 902 -35.771 3.723 -17.547 330 HA2 GLY 902 1HA GLY 902 -36.539 1.620 -18.417 331 HA3 GLY 902 2HA GLY 902 -34.880 1.243 -18.864 332 H SER 903 H SER 903 -34.641 2.651 -15.944 333 HA SER 903 HA SER 903 -34.649 0.054 -14.578 334 HB2 SER 903 2HB SER 903 -33.331 2.536 -13.506 335 HB3 SER 903 1HB SER 903 -32.933 0.847 -13.191 336 HG SER 903 HG SER 903 -32.646 1.133 -15.760 337 H GLY 904 H GLY 904 -37.046 0.413 -14.509 338 HA2 GLY 904 1HA GLY 904 -37.785 2.185 -12.266 339 HA3 GLY 904 2HA GLY 904 -38.875 1.718 -13.562 340 H GLY 905 H GLY 905 -36.848 -0.778 -12.467 341 HA2 GLY 905 1HA GLY 905 -39.082 -1.921 -10.913 342 HA3 GLY 905 2HA GLY 905 -37.848 -2.858 -11.749 343 H HIS 906 H HIS 906 -36.867 -3.957 -10.149 344 HA HIS 906 HA HIS 906 -35.625 -2.335 -8.025 345 HB2 HIS 906 2HB HIS 906 -37.528 -4.001 -7.364 346 HB3 HIS 906 1HB HIS 906 -36.294 -5.231 -7.615 347 HD1 HIS 906 1HD HIS 906 -37.256 -2.451 -5.302 348 HD2 HIS 906 2HD HIS 906 -34.235 -5.277 -5.715 349 HE1 HIS 906 1HE HIS 906 -35.959 -2.430 -3.128 350 H MET 907 H MET 907 -33.475 -2.563 -7.784 351 HA MET 907 HA MET 907 -32.109 -4.417 -9.573 352 HB2 MET 907 2HB MET 907 -31.541 -1.838 -8.733 353 HB3 MET 907 1HB MET 907 -30.419 -2.821 -7.801 354 HG2 MET 907 2HG MET 907 -30.508 -3.636 -10.571 355 HG3 MET 907 1HG MET 907 -30.095 -1.932 -10.402 356 HE1 MET 907 3HE MET 907 -27.458 -5.401 -10.164 357 HE2 MET 907 1HE MET 907 -29.067 -5.166 -10.851 358 HE3 MET 907 2HE MET 907 -27.687 -4.290 -11.514 359 H GLY 908 H GLY 908 -32.707 -6.338 -8.505 360 HA2 GLY 908 1HA GLY 908 -32.360 -6.812 -5.750 361 HA3 GLY 908 2HA GLY 908 -32.539 -8.042 -6.990 362 H SER 909 H SER 909 -30.752 -7.628 -4.559 363 HA SER 909 HA SER 909 -28.094 -7.451 -5.545 364 HB2 SER 909 2HB SER 909 -28.304 -8.917 -3.066 365 HB3 SER 909 1HB SER 909 -27.646 -7.303 -3.346 366 HG SER 909 HG SER 909 -29.469 -7.308 -1.910 367 H GLY 910 H GLY 910 -27.613 -8.915 -7.112 368 HA2 GLY 910 1HA GLY 910 -28.214 -11.731 -6.767 369 HA3 GLY 910 2HA GLY 910 -27.368 -10.996 -8.124 370 H GLY 911 H GLY 911 -27.052 -12.100 -4.813 371 HA2 GLY 911 1HA GLY 911 -25.108 -13.346 -4.128 372 HA3 GLY 911 2HA GLY 911 -24.153 -12.385 -5.253 373 H LEU 18 H LEU 18 -25.147 -12.743 -2.063 374 HA LEU 18 HA LEU 18 -24.929 -9.970 -1.300 375 HB2 LEU 18 2HB LEU 18 -26.045 -12.271 -0.193 376 HB3 LEU 18 1HB LEU 18 -24.723 -11.856 0.882 377 HG LEU 18 HG LEU 18 -25.940 -9.426 0.529 378 HD11 LEU 18 1HD1 LEU 18 -28.173 -9.567 0.266 379 HD12 LEU 18 2HD1 LEU 18 -27.763 -11.059 -0.583 380 HD13 LEU 18 3HD1 LEU 18 -28.280 -11.116 1.101 381 HD21 LEU 18 3HD2 LEU 18 -25.140 -10.509 2.617 382 HD22 LEU 18 1HD2 LEU 18 -26.696 -9.694 2.788 383 HD23 LEU 18 2HD2 LEU 18 -26.629 -11.450 2.647 384 H SER 19 H SER 19 -22.623 -11.792 -2.404 385 HA SER 19 HA SER 19 -20.633 -11.223 -0.351 386 HB2 SER 19 2HB SER 19 -19.558 -12.227 -2.852 387 HB3 SER 19 1HB SER 19 -19.496 -12.947 -1.243 388 HG SER 19 HG SER 19 -20.732 -14.373 -2.218 389 H TRP 20 H TRP 20 -21.809 -10.081 -3.399 390 HA TRP 20 HA TRP 20 -21.035 -8.609 -4.959 391 HB2 TRP 20 2HB TRP 20 -20.138 -6.551 -3.136 392 HB3 TRP 20 1HB TRP 20 -21.525 -6.565 -4.209 393 HD1 TRP 20 HD TRP 20 -23.735 -8.016 -3.079 394 HE1 TRP 20 1HE TRP 20 -24.626 -7.791 -0.675 395 HE3 TRP 20 3HE TRP 20 -19.597 -6.001 -0.863 396 HZ2 TRP 20 2HZ TRP 20 -23.701 -6.873 1.830 397 HZ3 TRP 20 3HZ TRP 20 -19.682 -5.471 1.532 398 HH2 TRP 20 HH TRP 20 -21.693 -5.897 2.852 399 H LYS 21 H LYS 21 -18.812 -7.062 -2.869 400 HA LYS 21 HA LYS 21 -16.575 -8.224 -4.380 401 HB2 LYS 21 2HB LYS 21 -16.472 -5.647 -2.814 402 HB3 LYS 21 1HB LYS 21 -15.358 -6.209 -4.052 403 HG2 LYS 21 2HG LYS 21 -18.147 -5.856 -4.920 404 HG3 LYS 21 1HG LYS 21 -17.289 -4.382 -4.469 405 HD2 LYS 21 2HD LYS 21 -15.728 -4.617 -6.157 406 HD3 LYS 21 1HD LYS 21 -15.970 -6.361 -6.279 407 HE2 LYS 21 2HE LYS 21 -18.272 -4.612 -6.940 408 HE3 LYS 21 1HE LYS 21 -16.926 -4.643 -8.079 409 HZ1 LYS 21 3HZ LYS 21 -17.960 -6.434 -8.896 410 HZ2 LYS 21 1HZ LYS 21 -18.899 -6.671 -7.501 411 HZ3 LYS 21 2HZ LYS 21 -17.311 -7.259 -7.566 412 H ARG 22 H ARG 22 -16.155 -10.001 -3.107 413 HA ARG 22 HA ARG 22 -15.921 -9.849 -0.268 414 HB2 ARG 22 2HB ARG 22 -15.828 -11.899 -2.265 415 HB3 ARG 22 1HB ARG 22 -14.407 -12.047 -1.240 416 HG2 ARG 22 2HG ARG 22 -16.773 -11.589 0.343 417 HG3 ARG 22 1HG ARG 22 -16.976 -12.986 -0.714 418 HD2 ARG 22 2HD ARG 22 -15.739 -12.996 1.732 419 HD3 ARG 22 1HD ARG 22 -15.556 -14.227 0.485 420 HE ARG 22 HE ARG 22 -13.703 -11.949 0.832 421 HH11 ARG 22 2HH1 ARG 22 -14.331 -15.324 0.180 422 HH12 ARG 22 1HH1 ARG 22 -12.666 -15.704 -0.153 423 HH21 ARG 22 2HH2 ARG 22 -11.520 -12.432 0.406 424 HH22 ARG 22 1HH2 ARG 22 -11.070 -14.045 -0.075 425 H CYS 23 H CYS 23 -14.174 -9.477 0.977 426 HA CYS 23 HA CYS 23 -11.940 -8.251 -0.399 427 HB2 CYS 23 2HB CYS 23 -11.617 -7.001 1.497 428 HB3 CYS 23 1HB CYS 23 -13.342 -7.300 1.581 429 H ALA 24 H ALA 24 -9.711 -8.650 0.356 430 HA ALA 24 HA ALA 24 -9.365 -11.504 0.061 431 HB1 ALA 24 1HB ALA 24 -8.157 -9.427 -1.117 432 HB2 ALA 24 2HB ALA 24 -6.987 -9.770 0.158 433 HB3 ALA 24 3HB ALA 24 -7.434 -11.031 -0.993 434 H GLY 25 H GLY 25 -7.902 -9.041 2.224 435 HA2 GLY 25 1HA GLY 25 -6.297 -10.918 3.606 436 HA3 GLY 25 2HA GLY 25 -6.665 -9.287 4.142 437 H CYS 26 H CYS 26 -8.999 -9.070 4.988 438 HA CYS 26 HA CYS 26 -9.336 -10.742 7.205 439 HB2 CYS 26 2HB CYS 26 -11.732 -9.334 6.181 440 HB3 CYS 26 1HB CYS 26 -11.016 -9.319 7.788 441 H GLY 27 H GLY 27 -10.814 -10.770 4.005 442 HA2 GLY 27 1HA GLY 27 -11.663 -12.637 2.890 443 HA3 GLY 27 2HA GLY 27 -11.597 -13.540 4.398 444 H GLY 28 H GLY 28 -13.067 -10.392 4.091 445 HA2 GLY 28 1HA GLY 28 -15.686 -11.668 4.584 446 HA3 GLY 28 2HA GLY 28 -15.206 -10.117 5.265 447 H LYS 29 H LYS 29 -16.898 -8.980 4.341 448 HA LYS 29 HA LYS 29 -16.773 -8.740 1.408 449 HB2 LYS 29 2HB LYS 29 -19.022 -8.554 3.366 450 HB3 LYS 29 1HB LYS 29 -19.093 -7.562 1.916 451 HG2 LYS 29 2HG LYS 29 -20.161 -9.390 1.127 452 HG3 LYS 29 1HG LYS 29 -18.505 -9.877 0.767 453 HD2 LYS 29 2HD LYS 29 -19.216 -11.758 1.836 454 HD3 LYS 29 1HD LYS 29 -18.645 -10.838 3.229 455 HE2 LYS 29 2HE LYS 29 -20.814 -10.242 3.870 456 HE3 LYS 29 1HE LYS 29 -21.488 -10.651 2.292 457 HZ1 LYS 29 3HZ LYS 29 -22.070 -12.553 3.272 458 HZ2 LYS 29 1HZ LYS 29 -21.007 -12.333 4.578 459 HZ3 LYS 29 2HZ LYS 29 -20.438 -12.998 3.125 460 H ILE 30 H ILE 30 -16.194 -6.780 0.566 461 HA ILE 30 HA ILE 30 -15.239 -4.766 2.330 462 HB ILE 30 HB ILE 30 -15.773 -4.653 -0.646 463 HG12 ILE 30 2HG1 ILE 30 -13.031 -4.510 0.443 464 HG13 ILE 30 1HG1 ILE 30 -13.849 -6.056 0.657 465 HG21 ILE 30 1HG2 ILE 30 -15.732 -2.437 0.784 466 HG22 ILE 30 2HG2 ILE 30 -13.988 -2.697 0.714 467 HG23 ILE 30 3HG2 ILE 30 -14.917 -2.535 -0.778 468 HD11 ILE 30 3HD1 ILE 30 -13.286 -6.581 -1.411 469 HD12 ILE 30 1HD1 ILE 30 -14.312 -5.271 -1.999 470 HD13 ILE 30 2HD1 ILE 30 -12.604 -4.975 -1.670 471 H ALA 31 H ALA 31 -16.643 -3.782 3.604 472 HA ALA 31 HA ALA 31 -19.110 -2.739 2.416 473 HB1 ALA 31 1HB ALA 31 -19.016 -2.477 5.277 474 HB2 ALA 31 2HB ALA 31 -20.166 -3.363 4.274 475 HB3 ALA 31 3HB ALA 31 -18.673 -4.139 4.801 476 H ASP 32 H ASP 32 -16.171 -1.788 2.649 477 HA ASP 32 HA ASP 32 -16.556 0.803 3.892 478 HB2 ASP 32 2HB ASP 32 -14.345 -0.773 3.513 479 HB3 ASP 32 1HB ASP 32 -14.152 0.438 2.247 480 H ARG 33 H ARG 33 -15.375 2.606 2.328 481 HA ARG 33 HA ARG 33 -17.347 2.869 0.218 482 HB2 ARG 33 2HB ARG 33 -16.930 4.773 1.677 483 HB3 ARG 33 1HB ARG 33 -15.234 4.791 1.210 484 HG2 ARG 33 2HG ARG 33 -15.869 6.340 -0.266 485 HG3 ARG 33 1HG ARG 33 -16.466 4.975 -1.212 486 HD2 ARG 33 2HD ARG 33 -18.505 5.516 0.593 487 HD3 ARG 33 1HD ARG 33 -17.923 7.105 0.093 488 HE ARG 33 HE ARG 33 -18.179 5.926 -2.267 489 HH11 ARG 33 2HH1 ARG 33 -20.364 5.934 0.476 490 HH12 ARG 33 1HH1 ARG 33 -21.793 5.781 -0.506 491 HH21 ARG 33 2HH2 ARG 33 -20.051 5.730 -3.554 492 HH22 ARG 33 1HH2 ARG 33 -21.614 5.669 -2.795 493 H PHE 34 H PHE 34 -13.798 3.312 0.368 494 HA PHE 34 HA PHE 34 -13.754 3.021 -2.545 495 HB2 PHE 34 2HB PHE 34 -12.116 4.438 -0.546 496 HB3 PHE 34 1HB PHE 34 -11.216 3.712 -1.873 497 HD1 PHE 34 2HD PHE 34 -14.512 5.468 -1.654 498 HD2 PHE 34 1HD PHE 34 -10.641 5.292 -3.421 499 HE1 PHE 34 2HE PHE 34 -15.087 7.372 -3.100 500 HE2 PHE 34 1HE PHE 34 -11.214 7.195 -4.870 501 HZ PHE 34 HZ PHE 34 -13.441 8.233 -4.713 502 H LEU 35 H LEU 35 -13.078 1.211 -3.470 503 HA LEU 35 HA LEU 35 -11.659 -0.764 -1.852 504 HB2 LEU 35 2HB LEU 35 -11.972 -2.061 -4.163 505 HB3 LEU 35 1HB LEU 35 -13.203 -2.020 -2.918 506 HG LEU 35 HG LEU 35 -13.392 0.160 -4.885 507 HD11 LEU 35 1HD1 LEU 35 -14.212 -2.581 -5.781 508 HD12 LEU 35 2HD1 LEU 35 -14.064 -1.100 -6.727 509 HD13 LEU 35 3HD1 LEU 35 -12.616 -1.937 -6.162 510 HD21 LEU 35 3HD2 LEU 35 -15.066 -0.245 -3.151 511 HD22 LEU 35 1HD2 LEU 35 -15.753 -0.436 -4.761 512 HD23 LEU 35 2HD2 LEU 35 -15.352 -1.860 -3.801 513 H LEU 36 H LEU 36 -9.685 -1.615 -2.420 514 HA LEU 36 HA LEU 36 -8.099 0.163 -4.143 515 HB2 LEU 36 2HB LEU 36 -7.411 -1.428 -1.683 516 HB3 LEU 36 1HB LEU 36 -6.172 -0.800 -2.750 517 HG LEU 36 HG LEU 36 -6.284 0.775 -1.057 518 HD11 LEU 36 1HD1 LEU 36 -8.122 1.766 -3.226 519 HD12 LEU 36 2HD1 LEU 36 -7.315 2.785 -2.035 520 HD13 LEU 36 3HD1 LEU 36 -6.361 1.871 -3.203 521 HD21 LEU 36 3HD2 LEU 36 -8.635 -0.268 -0.361 522 HD22 LEU 36 1HD2 LEU 36 -8.071 1.296 0.232 523 HD23 LEU 36 2HD2 LEU 36 -9.207 1.220 -1.117 524 H TYR 37 H TYR 37 -6.848 -0.649 -5.718 525 HA TYR 37 HA TYR 37 -6.886 -3.552 -6.178 526 HB2 TYR 37 2HB TYR 37 -7.025 -1.229 -7.884 527 HB3 TYR 37 1HB TYR 37 -5.634 -2.212 -8.327 528 HD1 TYR 37 2HD TYR 37 -7.066 -4.861 -7.406 529 HD2 TYR 37 1HD TYR 37 -8.134 -1.645 -9.974 530 HE1 TYR 37 2HE TYR 37 -8.527 -6.372 -8.669 531 HE2 TYR 37 1HE TYR 37 -9.600 -3.134 -11.247 532 HH TYR 37 HH TYR 37 -9.511 -6.501 -10.956 533 H ALA 38 H ALA 38 -5.229 -4.386 -5.028 534 HA ALA 38 HA ALA 38 -2.613 -3.079 -5.213 535 HB1 ALA 38 1HB ALA 38 -3.557 -5.281 -3.379 536 HB2 ALA 38 2HB ALA 38 -1.950 -4.553 -3.361 537 HB3 ALA 38 3HB ALA 38 -3.364 -3.579 -2.958 538 H MET 39 H MET 39 -2.865 -6.450 -4.523 539 HA MET 39 HA MET 39 -1.014 -7.197 -6.503 540 HB2 MET 39 2HB MET 39 -2.719 -8.567 -4.513 541 HB3 MET 39 1HB MET 39 -2.199 -9.547 -5.875 542 HG2 MET 39 2HG MET 39 0.131 -9.017 -5.361 543 HG3 MET 39 1HG MET 39 -0.400 -8.035 -3.997 544 HE1 MET 39 3HE MET 39 0.087 -10.443 -1.277 545 HE2 MET 39 1HE MET 39 1.015 -9.271 -2.211 546 HE3 MET 39 2HE MET 39 -0.621 -8.880 -1.683 547 H ASP 40 H ASP 40 -4.522 -7.609 -6.295 548 HA ASP 40 HA ASP 40 -5.200 -7.344 -8.942 549 HB2 ASP 40 2HB ASP 40 -3.697 -9.606 -8.830 550 HB3 ASP 40 1HB ASP 40 -5.292 -10.280 -8.509 551 H SER 41 H SER 41 -5.687 -8.379 -5.788 552 HA SER 41 HA SER 41 -8.406 -9.302 -6.128 553 HB2 SER 41 2HB SER 41 -7.697 -8.896 -3.390 554 HB3 SER 41 1HB SER 41 -7.870 -10.424 -4.259 555 HG SER 41 HG SER 41 -5.721 -10.381 -4.793 556 H TYR 42 H TYR 42 -10.068 -8.331 -4.559 557 HA TYR 42 HA TYR 42 -9.966 -5.424 -4.774 558 HB2 TYR 42 2HB TYR 42 -12.204 -7.334 -4.068 559 HB3 TYR 42 1HB TYR 42 -12.366 -5.586 -3.960 560 HD1 TYR 42 2HD TYR 42 -11.154 -4.538 -6.314 561 HD2 TYR 42 1HD TYR 42 -13.392 -8.126 -5.871 562 HE1 TYR 42 2HE TYR 42 -11.763 -4.443 -8.691 563 HE2 TYR 42 1HE TYR 42 -14.006 -8.042 -8.251 564 HH TYR 42 HH TYR 42 -12.657 -6.744 -10.450 565 H TRP 43 H TRP 43 -9.174 -4.306 -3.144 566 HA TRP 43 HA TRP 43 -9.342 -5.460 -0.439 567 HB2 TRP 43 2HB TRP 43 -7.347 -3.372 -1.336 568 HB3 TRP 43 1HB TRP 43 -7.306 -4.339 0.132 569 HD1 TRP 43 HD TRP 43 -6.973 -4.849 -3.691 570 HE1 TRP 43 1HE TRP 43 -5.362 -6.806 -4.093 571 HE3 TRP 43 3HE TRP 43 -6.117 -6.207 1.159 572 HZ2 TRP 43 2HZ TRP 43 -3.912 -8.679 -2.571 573 HZ3 TRP 43 3HZ TRP 43 -4.603 -8.102 1.598 574 HH2 TRP 43 HH TRP 43 -3.524 -9.307 -0.233 575 H HIS 44 H HIS 44 -9.208 -3.729 1.277 576 HA HIS 44 HA HIS 44 -10.410 -1.172 0.516 577 HB2 HIS 44 2HB HIS 44 -11.798 -1.241 2.652 578 HB3 HIS 44 1HB HIS 44 -12.344 -2.332 1.383 579 HD1 HIS 44 1HD HIS 44 -11.994 -2.361 4.907 580 HD2 HIS 44 2HD HIS 44 -10.943 -4.995 1.870 581 HE1 HIS 44 1HE HIS 44 -11.521 -4.609 6.020 582 H SER 45 H SER 45 -10.327 0.123 2.895 583 HA SER 45 HA SER 45 -7.630 0.692 3.188 584 HB2 SER 45 2HB SER 45 -9.107 1.288 5.608 585 HB3 SER 45 1HB SER 45 -8.436 2.392 4.403 586 HG SER 45 HG SER 45 -10.360 2.632 3.596 587 H ARG 46 H ARG 46 -9.683 -1.410 5.190 588 HA ARG 46 HA ARG 46 -7.556 -1.937 7.055 589 HB2 ARG 46 2HB ARG 46 -10.298 -1.989 7.183 590 HB3 ARG 46 1HB ARG 46 -9.883 -3.698 7.187 591 HG2 ARG 46 2HG ARG 46 -8.427 -1.843 9.006 592 HG3 ARG 46 1HG ARG 46 -10.063 -2.361 9.422 593 HD2 ARG 46 2HD ARG 46 -9.160 -4.742 8.920 594 HD3 ARG 46 1HD ARG 46 -7.574 -3.999 9.117 595 HE ARG 46 HE ARG 46 -7.965 -3.777 11.383 596 HH11 ARG 46 2HH1 ARG 46 -10.873 -4.854 9.744 597 HH12 ARG 46 1HH1 ARG 46 -11.695 -5.293 11.213 598 HH21 ARG 46 2HH2 ARG 46 -9.021 -4.398 13.316 599 HH22 ARG 46 1HH2 ARG 46 -10.644 -5.030 13.247 600 H CYS 47 H CYS 47 -8.244 -3.253 4.029 601 HA CYS 47 HA CYS 47 -7.278 -5.914 4.759 602 HB2 CYS 47 2HB CYS 47 -8.886 -4.924 2.649 603 HB3 CYS 47 1HB CYS 47 -7.409 -5.553 1.922 604 H LEU 48 H LEU 48 -6.342 -3.183 2.744 605 HA LEU 48 HA LEU 48 -3.768 -4.282 2.140 606 HB2 LEU 48 2HB LEU 48 -5.288 -1.843 1.489 607 HB3 LEU 48 1HB LEU 48 -3.554 -1.629 1.571 608 HG LEU 48 HG LEU 48 -5.148 -3.295 -0.337 609 HD11 LEU 48 1HD1 LEU 48 -3.611 -2.189 -1.951 610 HD12 LEU 48 2HD1 LEU 48 -4.644 -1.074 -1.058 611 HD13 LEU 48 3HD1 LEU 48 -2.948 -1.258 -0.607 612 HD21 LEU 48 3HD2 LEU 48 -3.322 -4.586 -0.987 613 HD22 LEU 48 1HD2 LEU 48 -2.174 -3.581 -0.101 614 HD23 LEU 48 2HD2 LEU 48 -3.270 -4.647 0.777 615 H LYS 49 H LYS 49 -3.252 -4.719 4.396 616 HA LYS 49 HA LYS 49 -2.084 -2.365 5.726 617 HB2 LYS 49 2HB LYS 49 -2.452 -3.844 7.860 618 HB3 LYS 49 1HB LYS 49 -3.771 -2.873 7.227 619 HG2 LYS 49 2HG LYS 49 -4.962 -4.749 7.365 620 HG3 LYS 49 1HG LYS 49 -4.121 -5.225 5.889 621 HD2 LYS 49 2HD LYS 49 -2.324 -6.178 7.455 622 HD3 LYS 49 1HD LYS 49 -3.538 -6.016 8.729 623 HE2 LYS 49 2HE LYS 49 -4.995 -7.255 6.830 624 HE3 LYS 49 1HE LYS 49 -3.397 -7.901 6.465 625 HZ1 LYS 49 3HZ LYS 49 -3.877 -7.971 9.260 626 HZ2 LYS 49 1HZ LYS 49 -3.521 -9.246 8.201 627 HZ3 LYS 49 2HZ LYS 49 -5.127 -8.761 8.437 628 H CYS 50 H CYS 50 -0.095 -2.718 6.806 629 HA CYS 50 HA CYS 50 1.662 -4.609 5.698 630 HB2 CYS 50 2HB CYS 50 2.473 -2.557 6.776 631 HB3 CYS 50 1HB CYS 50 1.860 -3.110 8.327 632 H SER 51 H SER 51 2.163 -6.686 6.279 633 HA SER 51 HA SER 51 0.420 -7.981 8.175 634 HB2 SER 51 2HB SER 51 2.790 -9.436 7.120 635 HB3 SER 51 1HB SER 51 1.107 -9.950 7.229 636 HG SER 51 HG SER 51 1.089 -7.997 5.517 637 H SER 52 H SER 52 3.076 -6.121 8.578 638 HA SER 52 HA SER 52 3.913 -7.611 10.973 639 HB2 SER 52 2HB SER 52 5.623 -5.537 9.638 640 HB3 SER 52 1HB SER 52 6.112 -6.855 10.705 641 HG SER 52 HG SER 52 5.261 -6.991 8.010 642 H CYS 53 H CYS 53 3.043 -4.440 9.669 643 HA CYS 53 HA CYS 53 3.102 -3.260 12.345 644 HB2 CYS 53 2HB CYS 53 2.376 -2.119 9.640 645 HB3 CYS 53 1HB CYS 53 2.293 -1.204 11.139 646 H GLN 54 H GLN 54 0.875 -4.469 9.972 647 HA GLN 54 HA GLN 54 -1.356 -4.667 9.821 648 HB2 GLN 54 2HB GLN 54 -0.932 -4.614 12.732 649 HB3 GLN 54 1HB GLN 54 -2.552 -4.161 12.209 650 HG2 GLN 54 2HG GLN 54 -1.318 -6.590 11.033 651 HG3 GLN 54 1HG GLN 54 -1.899 -6.661 12.694 652 HE21 GLN 54 1HE2 GLN 54 -3.663 -4.419 10.945 653 HE22 GLN 54 2HE2 GLN 54 -5.025 -5.411 10.563 654 H ALA 55 H ALA 55 0.156 -2.072 9.772 655 HA ALA 55 HA ALA 55 -1.846 -0.080 10.374 656 HB1 ALA 55 1HB ALA 55 0.681 0.273 8.765 657 HB2 ALA 55 2HB ALA 55 -0.250 1.516 9.605 658 HB3 ALA 55 3HB ALA 55 0.641 0.309 10.530 659 H GLN 56 H GLN 56 -3.321 0.704 9.005 660 HA GLN 56 HA GLN 56 -3.756 -0.688 6.547 661 HB2 GLN 56 2HB GLN 56 -5.199 1.548 7.955 662 HB3 GLN 56 1HB GLN 56 -5.734 0.889 6.417 663 HG2 GLN 56 2HG GLN 56 -6.904 -0.583 7.585 664 HG3 GLN 56 1HG GLN 56 -5.372 -1.344 7.998 665 HE21 GLN 56 1HE2 GLN 56 -7.359 1.410 9.023 666 HE22 GLN 56 2HE2 GLN 56 -7.135 1.146 10.722 667 H LEU 57 H LEU 57 -2.573 -0.208 4.815 668 HA LEU 57 HA LEU 57 -1.752 2.545 4.290 669 HB2 LEU 57 2HB LEU 57 -1.188 0.208 2.490 670 HB3 LEU 57 1HB LEU 57 -0.278 1.693 2.673 671 HG LEU 57 HG LEU 57 -0.144 0.467 5.184 672 HD11 LEU 57 1HD1 LEU 57 0.217 -1.760 4.945 673 HD12 LEU 57 2HD1 LEU 57 -0.939 -1.542 3.627 674 HD13 LEU 57 3HD1 LEU 57 0.790 -1.600 3.283 675 HD21 LEU 57 3HD2 LEU 57 1.543 1.744 3.640 676 HD22 LEU 57 1HD2 LEU 57 2.127 0.591 4.840 677 HD23 LEU 57 2HD2 LEU 57 2.004 0.114 3.145 678 H GLY 58 H GLY 58 -4.446 0.800 3.799 679 HA2 GLY 58 1HA GLY 58 -4.990 0.964 1.059 680 HA3 GLY 58 2HA GLY 58 -6.193 0.819 2.325 681 H ASP 59 H ASP 59 -5.205 3.448 3.502 682 HA ASP 59 HA ASP 59 -6.755 5.115 1.656 683 HB2 ASP 59 2HB ASP 59 -7.302 4.843 4.195 684 HB3 ASP 59 1HB ASP 59 -5.988 5.994 4.419 685 H ILE 60 H ILE 60 -3.760 4.369 1.746 686 HA ILE 60 HA ILE 60 -2.780 7.136 1.490 687 HB ILE 60 HB ILE 60 -0.815 4.939 1.862 688 HG12 ILE 60 2HG1 ILE 60 -2.368 6.109 4.184 689 HG13 ILE 60 1HG1 ILE 60 -2.551 4.465 3.583 690 HG21 ILE 60 1HG2 ILE 60 0.510 6.619 2.810 691 HG22 ILE 60 2HG2 ILE 60 -0.342 7.418 1.490 692 HG23 ILE 60 3HG2 ILE 60 -0.882 7.646 3.154 693 HD11 ILE 60 3HD1 ILE 60 -1.174 4.350 5.494 694 HD12 ILE 60 1HD1 ILE 60 -0.115 4.123 4.101 695 HD13 ILE 60 2HD1 ILE 60 -0.157 5.678 4.930 696 H GLY 61 H GLY 61 -1.666 7.679 -0.336 697 HA2 GLY 61 1HA GLY 61 -2.064 5.959 -2.624 698 HA3 GLY 61 2HA GLY 61 -1.411 7.588 -2.643 699 H THR 62 H THR 62 0.109 5.545 -0.401 700 HA THR 62 HA THR 62 2.444 5.335 -2.149 701 HB THR 62 HB THR 62 2.640 4.480 0.675 702 HG1 THR 62 1HG THR 62 1.639 6.952 -0.073 703 HG21 THR 62 3HG2 THR 62 4.444 6.541 -0.295 704 HG22 THR 62 1HG2 THR 62 4.383 5.142 -1.368 705 HG23 THR 62 2HG2 THR 62 4.802 4.931 0.333 706 H SER 63 H SER 63 3.023 3.435 -2.997 707 HA SER 63 HA SER 63 1.315 1.163 -2.537 708 HB2 SER 63 2HB SER 63 3.749 1.090 -4.285 709 HB3 SER 63 1HB SER 63 2.191 0.293 -4.508 710 HG SER 63 HG SER 63 1.610 2.811 -4.496 711 H SER 64 H SER 64 1.719 -0.538 -1.301 712 HA SER 64 HA SER 64 4.179 -0.717 0.193 713 HB2 SER 64 2HB SER 64 2.598 -3.000 0.669 714 HB3 SER 64 1HB SER 64 2.713 -1.557 1.671 715 HG SER 64 HG SER 64 0.648 -1.458 1.198 716 H TYR 65 H TYR 65 5.046 -3.105 0.435 717 HA TYR 65 HA TYR 65 5.564 -4.021 -2.319 718 HB2 TYR 65 2HB TYR 65 7.426 -4.035 0.066 719 HB3 TYR 65 1HB TYR 65 7.809 -4.682 -1.524 720 HD1 TYR 65 1HD TYR 65 7.635 -3.003 -3.500 721 HD2 TYR 65 2HD TYR 65 7.987 -1.838 0.573 722 HE1 TYR 65 1HE TYR 65 8.454 -0.799 -4.210 723 HE2 TYR 65 2HE TYR 65 8.806 0.375 -0.124 724 HH TYR 65 HH TYR 65 10.084 1.225 -2.412 725 H THR 66 H THR 66 6.089 -6.295 -2.560 726 HA THR 66 HA THR 66 5.178 -7.996 -0.369 727 HB THR 66 HB THR 66 3.284 -7.448 -2.043 728 HG1 THR 66 1HG THR 66 3.411 -9.226 -0.457 729 HG21 THR 66 3HG2 THR 66 3.252 -9.164 -3.932 730 HG22 THR 66 1HG2 THR 66 4.991 -9.309 -3.675 731 HG23 THR 66 2HG2 THR 66 4.297 -7.759 -4.153 732 H LYS 67 H LYS 67 5.739 -10.268 -0.696 733 HA LYS 67 HA LYS 67 7.638 -10.953 -2.739 734 HB2 LYS 67 2HB LYS 67 8.694 -9.653 -0.571 735 HB3 LYS 67 1HB LYS 67 8.865 -11.340 -0.098 736 HG2 LYS 67 2HG LYS 67 9.925 -11.676 -2.409 737 HG3 LYS 67 1HG LYS 67 10.067 -9.914 -2.441 738 HD2 LYS 67 2HD LYS 67 11.279 -10.043 -0.265 739 HD3 LYS 67 1HD LYS 67 11.243 -11.803 -0.402 740 HE2 LYS 67 2HE LYS 67 12.327 -10.224 -2.680 741 HE3 LYS 67 1HE LYS 67 13.316 -10.394 -1.229 742 HZ1 LYS 67 3HZ LYS 67 13.870 -12.426 -1.861 743 HZ2 LYS 67 1HZ LYS 67 12.976 -12.235 -3.290 744 HZ3 LYS 67 2HZ LYS 67 12.241 -12.905 -1.916 745 H SER 68 H SER 68 7.818 -12.256 0.494 746 HA SER 68 HA SER 68 7.144 -14.868 -0.489 747 HB2 SER 68 2HB SER 68 7.471 -14.548 2.405 748 HB3 SER 68 1HB SER 68 8.364 -15.567 1.271 749 HG SER 68 HG SER 68 9.894 -14.141 1.348 750 H GLY 69 H GLY 69 4.895 -13.723 -0.968 751 HA2 GLY 69 1HA GLY 69 2.635 -13.899 -0.636 752 HA3 GLY 69 2HA GLY 69 3.003 -15.142 0.548 753 H MET 70 H MET 70 4.178 -11.868 0.881 754 HA MET 70 HA MET 70 2.110 -11.273 2.863 755 HB2 MET 70 2HB MET 70 5.047 -11.518 3.375 756 HB3 MET 70 1HB MET 70 4.153 -10.270 4.228 757 HG2 MET 70 2HG MET 70 2.570 -12.063 4.988 758 HG3 MET 70 1HG MET 70 3.710 -13.237 4.333 759 HE1 MET 70 3HE MET 70 6.726 -12.494 5.358 760 HE2 MET 70 1HE MET 70 6.441 -13.577 6.721 761 HE3 MET 70 2HE MET 70 5.713 -13.922 5.150 762 H ILE 71 H ILE 71 1.535 -9.166 2.959 763 HA ILE 71 HA ILE 71 2.919 -7.312 1.152 764 HB ILE 71 HB ILE 71 0.649 -6.046 2.255 765 HG12 ILE 71 2HG1 ILE 71 -1.007 -7.803 1.140 766 HG13 ILE 71 1HG1 ILE 71 0.225 -8.940 1.682 767 HG21 ILE 71 1HG2 ILE 71 1.373 -5.484 0.111 768 HG22 ILE 71 2HG2 ILE 71 1.350 -7.162 -0.432 769 HG23 ILE 71 3HG2 ILE 71 -0.166 -6.310 -0.143 770 HD11 ILE 71 3HD1 ILE 71 -0.026 -7.678 3.953 771 HD12 ILE 71 1HD1 ILE 71 -1.591 -7.213 3.280 772 HD13 ILE 71 2HD1 ILE 71 -1.189 -8.918 3.478 773 H LEU 72 H LEU 72 4.389 -6.061 2.042 774 HA LEU 72 HA LEU 72 4.096 -5.390 4.892 775 HB2 LEU 72 2HB LEU 72 6.331 -6.473 3.325 776 HB3 LEU 72 1HB LEU 72 6.766 -5.136 4.371 777 HG LEU 72 HG LEU 72 5.970 -6.341 6.313 778 HD11 LEU 72 1HD1 LEU 72 4.967 -8.437 6.294 779 HD12 LEU 72 2HD1 LEU 72 4.154 -7.553 5.003 780 HD13 LEU 72 3HD1 LEU 72 5.405 -8.734 4.610 781 HD21 LEU 72 3HD2 LEU 72 8.182 -7.011 4.767 782 HD22 LEU 72 1HD2 LEU 72 7.929 -7.379 6.475 783 HD23 LEU 72 2HD2 LEU 72 7.473 -8.558 5.242 784 H CYS 73 H CYS 73 4.952 -3.352 5.564 785 HA CYS 73 HA CYS 73 4.363 -1.237 3.781 786 HB2 CYS 73 2HB CYS 73 5.075 0.234 5.601 787 HB3 CYS 73 1HB CYS 73 4.043 -1.051 6.219 788 H ARG 74 H ARG 74 6.052 0.662 3.739 789 HA ARG 74 HA ARG 74 8.062 -0.088 1.939 790 HB2 ARG 74 2HB ARG 74 6.929 2.290 2.792 791 HB3 ARG 74 1HB ARG 74 8.594 2.420 3.335 792 HG2 ARG 74 2HG ARG 74 9.169 3.047 1.301 793 HG3 ARG 74 1HG ARG 74 8.706 1.451 0.708 794 HD2 ARG 74 2HD ARG 74 6.647 2.164 -0.012 795 HD3 ARG 74 1HD ARG 74 6.583 3.491 1.146 796 HE ARG 74 HE ARG 74 8.378 4.532 -0.308 797 HH11 ARG 74 2HH1 ARG 74 5.943 2.335 -1.576 798 HH12 ARG 74 1HH1 ARG 74 5.979 3.024 -3.166 799 HH21 ARG 74 2HH2 ARG 74 8.430 5.410 -2.426 800 HH22 ARG 74 1HH2 ARG 74 7.428 4.718 -3.665 801 H ASN 75 H ASN 75 8.224 0.782 5.363 802 HA ASN 75 HA ASN 75 11.071 0.610 5.503 803 HB2 ASN 75 2HB ASN 75 9.551 2.016 6.978 804 HB3 ASN 75 1HB ASN 75 9.140 0.526 7.820 805 HD21 ASN 75 1HD2 ASN 75 10.162 0.405 9.663 806 HD22 ASN 75 2HD2 ASN 75 11.807 0.867 9.955 807 H ASP 76 H ASP 76 8.395 -1.550 6.306 808 HA ASP 76 HA ASP 76 9.974 -3.398 7.782 809 HB2 ASP 76 2HB ASP 76 7.209 -3.143 7.024 810 HB3 ASP 76 1HB ASP 76 7.761 -4.797 6.771 811 H TYR 77 H TYR 77 8.868 -3.312 4.417 812 HA TYR 77 HA TYR 77 9.670 -5.898 3.742 813 HB2 TYR 77 2HB TYR 77 8.274 -4.635 2.222 814 HB3 TYR 77 1HB TYR 77 9.548 -3.435 1.993 815 HD1 TYR 77 2HD TYR 77 9.407 -7.166 1.904 816 HD2 TYR 77 1HD TYR 77 10.510 -3.580 -0.101 817 HE1 TYR 77 2HE TYR 77 10.338 -8.491 0.057 818 HE2 TYR 77 1HE TYR 77 11.455 -4.895 -1.948 819 HH TYR 77 HH TYR 77 12.462 -7.378 -2.080 820 H ILE 78 H ILE 78 11.471 -2.842 3.558 821 HA ILE 78 HA ILE 78 13.847 -3.978 2.525 822 HB ILE 78 HB ILE 78 13.447 -1.449 4.142 823 HG12 ILE 78 2HG1 ILE 78 14.025 -1.562 1.204 824 HG13 ILE 78 1HG1 ILE 78 12.383 -1.857 1.767 825 HG21 ILE 78 1HG2 ILE 78 15.840 -2.672 3.802 826 HG22 ILE 78 2HG2 ILE 78 15.779 -1.663 2.356 827 HG23 ILE 78 3HG2 ILE 78 15.635 -0.928 3.955 828 HD11 ILE 78 3HD1 ILE 78 13.816 0.625 1.464 829 HD12 ILE 78 1HD1 ILE 78 12.092 0.337 1.702 830 HD13 ILE 78 2HD1 ILE 78 13.168 0.446 3.096 831 H ARG 79 H ARG 79 12.625 -3.454 5.772 832 HA ARG 79 HA ARG 79 14.943 -4.114 7.226 833 HB2 ARG 79 2HB ARG 79 12.343 -3.313 7.812 834 HB3 ARG 79 1HB ARG 79 12.459 -4.919 8.519 835 HG2 ARG 79 2HG ARG 79 14.817 -3.658 9.270 836 HG3 ARG 79 1HG ARG 79 13.570 -2.417 9.426 837 HD2 ARG 79 2HD ARG 79 13.805 -5.056 10.814 838 HD3 ARG 79 1HD ARG 79 13.535 -3.457 11.499 839 HE ARG 79 HE ARG 79 11.404 -4.511 9.826 840 HH11 ARG 79 2HH1 ARG 79 12.655 -4.040 13.061 841 HH12 ARG 79 1HH1 ARG 79 11.107 -4.218 13.825 842 HH21 ARG 79 2HH2 ARG 79 9.365 -4.795 10.827 843 HH22 ARG 79 1HH2 ARG 79 9.250 -4.694 12.571 844 H LEU 80 H LEU 80 12.257 -6.090 6.040 845 HA LEU 80 HA LEU 80 13.282 -8.472 7.292 846 HB2 LEU 80 2HB LEU 80 10.865 -7.692 5.803 847 HB3 LEU 80 1HB LEU 80 11.384 -9.349 5.551 848 HG LEU 80 HG LEU 80 11.505 -9.376 8.189 849 HD11 LEU 80 1HD1 LEU 80 9.564 -7.159 7.575 850 HD12 LEU 80 2HD1 LEU 80 9.565 -8.064 9.090 851 HD13 LEU 80 3HD1 LEU 80 10.973 -7.104 8.636 852 HD21 LEU 80 3HD2 LEU 80 9.724 -10.287 6.252 853 HD22 LEU 80 1HD2 LEU 80 9.845 -10.826 7.927 854 HD23 LEU 80 2HD2 LEU 80 8.713 -9.545 7.493 855 H PHE 81 H PHE 81 12.768 -7.458 3.905 856 HA PHE 81 HA PHE 81 14.743 -9.505 3.133 857 HB2 PHE 81 2HB PHE 81 12.520 -8.514 1.357 858 HB3 PHE 81 1HB PHE 81 13.539 -9.928 1.127 859 HD1 PHE 81 2HD PHE 81 13.232 -11.908 2.614 860 HD2 PHE 81 1HD PHE 81 10.524 -8.627 2.608 861 HE1 PHE 81 2HE PHE 81 11.540 -13.305 3.729 862 HE2 PHE 81 1HE PHE 81 8.827 -10.022 3.720 863 HZ PHE 81 HZ PHE 81 9.336 -12.359 4.284 864 H GLY 82 H GLY 82 13.189 -6.726 1.523 865 HA2 GLY 82 1HA GLY 82 14.266 -4.741 0.837 866 HA3 GLY 82 2HA GLY 82 15.819 -5.509 1.141 Start of MODEL 16 1 H SER 641 1H SER 641 16.019 -15.700 -45.938 2 HA SER 641 HA SER 641 14.940 -17.592 -44.818 3 HB2 SER 641 2HB SER 641 17.887 -17.553 -44.205 4 HB3 SER 641 1HB SER 641 16.906 -18.880 -44.827 5 HG SER 641 HG SER 641 17.027 -18.087 -46.807 6 H LEU 642 H LEU 642 14.682 -15.391 -42.885 7 HA LEU 642 HA LEU 642 15.440 -16.826 -40.422 8 HB2 LEU 642 2HB LEU 642 16.527 -14.638 -40.668 9 HB3 LEU 642 1HB LEU 642 14.961 -13.873 -40.849 10 HG LEU 642 HG LEU 642 14.585 -15.024 -38.458 11 HD11 LEU 642 1HD1 LEU 642 17.138 -14.178 -37.619 12 HD12 LEU 642 2HD1 LEU 642 16.436 -15.794 -37.527 13 HD13 LEU 642 3HD1 LEU 642 17.378 -15.323 -38.943 14 HD21 LEU 642 3HD2 LEU 642 14.723 -12.898 -37.580 15 HD22 LEU 642 1HD2 LEU 642 16.155 -12.485 -38.527 16 HD23 LEU 642 2HD2 LEU 642 14.573 -12.555 -39.304 17 H GLN 643 H GLN 643 13.554 -18.106 -40.385 18 HA GLN 643 HA GLN 643 11.055 -16.586 -40.060 19 HB2 GLN 643 2HB GLN 643 9.855 -18.593 -40.860 20 HB3 GLN 643 1HB GLN 643 10.934 -17.910 -42.065 21 HG2 GLN 643 2HG GLN 643 12.207 -19.974 -40.459 22 HG3 GLN 643 1HG GLN 643 10.784 -20.553 -41.323 23 HE21 GLN 643 1HE2 GLN 643 10.737 -19.573 -43.671 24 HE22 GLN 643 2HE2 GLN 643 12.212 -19.787 -44.551 25 H ASN 644 H ASN 644 9.874 -16.852 -38.336 26 HA ASN 644 HA ASN 644 9.198 -17.432 -36.266 27 HB2 ASN 644 2HB ASN 644 8.851 -19.612 -37.696 28 HB3 ASN 644 1HB ASN 644 10.120 -20.246 -36.651 29 HD21 ASN 644 1HD2 ASN 644 8.756 -21.687 -35.649 30 HD22 ASN 644 2HD2 ASN 644 7.545 -21.184 -34.517 31 H ASN 645 H ASN 645 11.821 -16.390 -36.392 32 HA ASN 645 HA ASN 645 13.065 -17.834 -34.146 33 HB2 ASN 645 2HB ASN 645 14.244 -16.890 -36.479 34 HB3 ASN 645 1HB ASN 645 14.665 -15.674 -35.277 35 HD21 ASN 645 1HD2 ASN 645 16.380 -16.061 -34.040 36 HD22 ASN 645 2HD2 ASN 645 17.132 -17.612 -33.829 37 H GLN 646 H GLN 646 13.311 -14.463 -35.178 38 HA GLN 646 HA GLN 646 13.013 -12.494 -34.104 39 HB2 GLN 646 2HB GLN 646 10.614 -13.743 -34.145 40 HB3 GLN 646 1HB GLN 646 10.808 -13.484 -32.414 41 HG2 GLN 646 2HG GLN 646 11.076 -11.115 -32.757 42 HG3 GLN 646 1HG GLN 646 11.025 -11.332 -34.506 43 HE21 GLN 646 1HE2 GLN 646 9.106 -12.174 -31.641 44 HE22 GLN 646 2HE2 GLN 646 7.570 -11.786 -32.354 45 H ASP 647 H ASP 647 15.015 -13.903 -32.979 46 HA ASP 647 HA ASP 647 14.756 -14.041 -30.137 47 HB2 ASP 647 2HB ASP 647 17.332 -14.070 -30.248 48 HB3 ASP 647 1HB ASP 647 16.471 -15.419 -30.974 49 H VAL 648 H VAL 648 14.387 -12.324 -28.967 50 HA VAL 648 HA VAL 648 14.771 -9.675 -29.880 51 HB VAL 648 HB VAL 648 14.260 -10.564 -27.034 52 HG11 VAL 648 1HG1 VAL 648 14.784 -8.310 -26.901 53 HG12 VAL 648 2HG1 VAL 648 14.058 -7.942 -28.464 54 HG13 VAL 648 3HG1 VAL 648 13.028 -8.280 -27.072 55 HG21 VAL 648 3HG2 VAL 648 12.684 -11.331 -28.999 56 HG22 VAL 648 1HG2 VAL 648 12.020 -10.761 -27.470 57 HG23 VAL 648 2HG2 VAL 648 12.080 -9.681 -28.861 58 H SER 649 H SER 649 16.582 -8.562 -29.962 59 HA SER 649 HA SER 649 18.967 -9.326 -28.602 60 HB2 SER 649 2HB SER 649 19.183 -6.665 -29.561 61 HB3 SER 649 1HB SER 649 19.795 -8.138 -30.316 62 HG SER 649 HG SER 649 18.345 -6.945 -31.680 63 H PHE 650 H PHE 650 18.387 -9.282 -26.388 64 HA PHE 650 HA PHE 650 17.221 -7.015 -25.130 65 HB2 PHE 650 2HB PHE 650 17.849 -9.671 -24.419 66 HB3 PHE 650 1HB PHE 650 18.705 -8.641 -23.276 67 HD1 PHE 650 1HD PHE 650 17.454 -7.053 -21.866 68 HD2 PHE 650 2HD PHE 650 15.485 -9.880 -24.361 69 HE1 PHE 650 1HE PHE 650 15.375 -6.729 -20.587 70 HE2 PHE 650 2HE PHE 650 13.404 -9.563 -23.091 71 HZ PHE 650 HZ PHE 650 13.349 -7.990 -21.200 72 H GLU 651 H GLU 651 20.343 -7.613 -26.210 73 HA GLU 651 HA GLU 651 21.681 -6.035 -24.189 74 HB2 GLU 651 2HB GLU 651 22.822 -7.089 -26.773 75 HB3 GLU 651 1HB GLU 651 23.712 -6.558 -25.351 76 HG2 GLU 651 2HG GLU 651 22.046 -9.030 -25.685 77 HG3 GLU 651 1HG GLU 651 23.770 -8.916 -25.341 78 H ASN 652 H ASN 652 19.976 -5.433 -27.029 79 HA ASN 652 HA ASN 652 21.494 -3.282 -28.093 80 HB2 ASN 652 2HB ASN 652 19.507 -4.687 -29.122 81 HB3 ASN 652 1HB ASN 652 18.524 -3.401 -28.435 82 HD21 ASN 652 1HD2 ASN 652 17.942 -2.937 -30.641 83 HD22 ASN 652 2HD2 ASN 652 19.005 -1.978 -31.620 84 H ILE 653 H ILE 653 18.710 -3.445 -25.920 85 HA ILE 653 HA ILE 653 18.717 -0.597 -25.460 86 HB ILE 653 HB ILE 653 17.208 -1.657 -23.425 87 HG12 ILE 653 2HG1 ILE 653 16.111 -3.258 -25.609 88 HG13 ILE 653 1HG1 ILE 653 17.684 -3.835 -25.072 89 HG21 ILE 653 1HG2 ILE 653 16.733 -0.434 -26.041 90 HG22 ILE 653 2HG2 ILE 653 15.361 -1.334 -25.392 91 HG23 ILE 653 3HG2 ILE 653 16.078 -0.024 -24.455 92 HD11 ILE 653 3HD1 ILE 653 15.105 -3.716 -23.599 93 HD12 ILE 653 1HD1 ILE 653 16.284 -5.021 -23.718 94 HD13 ILE 653 2HD1 ILE 653 16.619 -3.622 -22.697 95 H GLN 654 H GLN 654 20.696 -0.068 -24.576 96 HA GLN 654 HA GLN 654 21.477 -1.435 -22.101 97 HB2 GLN 654 2HB GLN 654 22.975 0.094 -24.188 98 HB3 GLN 654 1HB GLN 654 23.621 0.033 -22.554 99 HG2 GLN 654 2HG GLN 654 23.096 -2.261 -24.419 100 HG3 GLN 654 1HG GLN 654 24.648 -1.707 -23.792 101 HE21 GLN 654 1HE2 GLN 654 22.512 -4.099 -23.555 102 HE22 GLN 654 2HE2 GLN 654 22.745 -4.593 -21.908 103 H TRP 655 H TRP 655 20.066 -0.422 -20.692 104 HA TRP 655 HA TRP 655 19.794 2.397 -20.468 105 HB2 TRP 655 2HB TRP 655 18.783 0.035 -19.121 106 HB3 TRP 655 1HB TRP 655 19.207 1.293 -17.964 107 HD1 TRP 655 HD TRP 655 16.356 0.157 -19.838 108 HE1 TRP 655 1HE TRP 655 14.588 2.007 -20.132 109 HE3 TRP 655 3HE TRP 655 19.205 4.200 -18.581 110 HZ2 TRP 655 2HZ TRP 655 14.429 4.811 -19.859 111 HZ3 TRP 655 3HZ TRP 655 18.176 6.427 -18.619 112 HH2 TRP 655 HH TRP 655 15.834 6.731 -19.246 113 H SER 656 H SER 656 21.249 3.789 -19.722 114 HA SER 656 HA SER 656 23.578 2.862 -18.289 115 HB2 SER 656 2HB SER 656 23.398 5.735 -18.510 116 HB3 SER 656 1HB SER 656 24.550 4.629 -19.263 117 HG SER 656 HG SER 656 23.445 4.683 -21.064 118 H ILE 657 H ILE 657 21.494 2.349 -16.685 119 HA ILE 657 HA ILE 657 21.807 4.332 -14.532 120 HB ILE 657 HB ILE 657 19.422 3.828 -13.850 121 HG12 ILE 657 2HG1 ILE 657 18.852 3.103 -16.687 122 HG13 ILE 657 1HG1 ILE 657 19.448 1.840 -15.616 123 HG21 ILE 657 1HG2 ILE 657 18.926 5.800 -14.738 124 HG22 ILE 657 2HG2 ILE 657 20.445 5.706 -15.624 125 HG23 ILE 657 3HG2 ILE 657 18.954 5.144 -16.373 126 HD11 ILE 657 3HD1 ILE 657 17.511 2.816 -14.069 127 HD12 ILE 657 1HD1 ILE 657 16.847 3.235 -15.647 128 HD13 ILE 657 2HD1 ILE 657 17.232 1.556 -15.273 129 H ASP 658 H ASP 658 20.148 2.913 -12.695 130 HA ASP 658 HA ASP 658 21.846 0.617 -12.121 131 HB2 ASP 658 2HB ASP 658 20.564 2.521 -10.512 132 HB3 ASP 658 1HB ASP 658 19.689 1.021 -10.224 133 HA PRO 659 HA PRO 659 18.682 -1.781 -14.175 134 HB2 PRO 659 2HB PRO 659 20.524 -4.008 -14.066 135 HB3 PRO 659 1HB PRO 659 20.023 -3.056 -15.464 136 HG2 PRO 659 2HG PRO 659 22.544 -2.998 -14.425 137 HG3 PRO 659 1HG PRO 659 21.811 -1.637 -15.295 138 HD2 PRO 659 2HD PRO 659 22.087 -2.074 -12.339 139 HD3 PRO 659 1HD PRO 659 22.335 -0.589 -13.287 140 H GLY 660 H GLY 660 17.598 -1.641 -11.948 141 HA2 GLY 660 1HA GLY 660 16.087 -2.971 -10.778 142 HA3 GLY 660 2HA GLY 660 16.977 -4.397 -11.287 143 H ALA 661 H ALA 661 18.708 -1.779 -9.829 144 HA ALA 661 HA ALA 661 19.347 -3.519 -7.583 145 HB1 ALA 661 1HB ALA 661 20.506 -0.820 -8.259 146 HB2 ALA 661 2HB ALA 661 21.146 -1.995 -7.111 147 HB3 ALA 661 3HB ALA 661 21.143 -2.361 -8.835 148 H ASP 662 H ASP 662 17.146 -1.110 -8.278 149 HA ASP 662 HA ASP 662 16.942 -0.304 -5.457 150 HB2 ASP 662 2HB ASP 662 16.425 1.778 -6.126 151 HB3 ASP 662 1HB ASP 662 17.026 1.285 -7.701 152 H LEU 663 H LEU 663 14.489 0.248 -4.915 153 HA LEU 663 HA LEU 663 13.313 -2.383 -4.979 154 HB2 LEU 663 2HB LEU 663 12.951 0.087 -3.382 155 HB3 LEU 663 1HB LEU 663 11.577 -0.994 -3.494 156 HG LEU 663 HG LEU 663 14.185 -1.377 -2.116 157 HD11 LEU 663 1HD1 LEU 663 11.813 -2.733 -1.131 158 HD12 LEU 663 2HD1 LEU 663 12.885 -1.588 -0.325 159 HD13 LEU 663 3HD1 LEU 663 11.572 -0.998 -1.343 160 HD21 LEU 663 3HD2 LEU 663 12.538 -3.676 -3.157 161 HD22 LEU 663 1HD2 LEU 663 14.142 -3.221 -3.729 162 HD23 LEU 663 2HD2 LEU 663 13.924 -3.788 -2.072 163 H SER 664 H SER 664 13.084 -0.118 -7.244 164 HA SER 664 HA SER 664 10.302 0.358 -7.465 165 HB2 SER 664 2HB SER 664 12.463 0.418 -9.577 166 HB3 SER 664 1HB SER 664 10.823 1.028 -9.802 167 HG SER 664 HG SER 664 12.785 1.961 -7.955 168 H GLN 665 H GLN 665 12.249 -2.374 -8.240 169 HA GLN 665 HA GLN 665 10.464 -3.508 -10.174 170 HB2 GLN 665 2HB GLN 665 11.826 -5.653 -9.494 171 HB3 GLN 665 1HB GLN 665 12.577 -4.382 -10.447 172 HG2 GLN 665 2HG GLN 665 14.035 -3.860 -8.836 173 HG3 GLN 665 1HG GLN 665 12.835 -4.026 -7.555 174 HE21 GLN 665 1HE2 GLN 665 15.644 -4.976 -7.842 175 HE22 GLN 665 2HE2 GLN 665 15.572 -6.675 -7.525 176 H TYR 666 H TYR 666 10.585 -3.395 -6.737 177 HA TYR 666 HA TYR 666 8.704 -5.635 -6.490 178 HB2 TYR 666 2HB TYR 666 10.417 -4.169 -4.491 179 HB3 TYR 666 1HB TYR 666 9.118 -5.251 -3.995 180 HD1 TYR 666 2HD TYR 666 9.246 -7.584 -5.465 181 HD2 TYR 666 1HD TYR 666 12.511 -5.096 -4.355 182 HE1 TYR 666 2HE TYR 666 10.765 -9.511 -5.643 183 HE2 TYR 666 1HE TYR 666 14.040 -7.011 -4.527 184 HH TYR 666 HH TYR 666 14.041 -9.369 -4.507 185 H LYS 667 H LYS 667 8.372 -2.631 -7.292 186 HA LYS 667 HA LYS 667 6.716 -1.503 -5.264 187 HB2 LYS 667 2HB LYS 667 7.291 -0.812 -8.117 188 HB3 LYS 667 1HB LYS 667 6.069 0.051 -7.210 189 HG2 LYS 667 2HG LYS 667 8.112 0.241 -5.486 190 HG3 LYS 667 1HG LYS 667 9.001 0.159 -7.009 191 HD2 LYS 667 2HD LYS 667 6.868 2.147 -6.237 192 HD3 LYS 667 1HD LYS 667 8.582 2.465 -6.503 193 HE2 LYS 667 2HE LYS 667 7.970 3.042 -8.579 194 HE3 LYS 667 1HE LYS 667 7.832 1.307 -8.867 195 HZ1 LYS 667 3HZ LYS 667 5.445 1.927 -7.756 196 HZ2 LYS 667 1HZ LYS 667 5.736 1.778 -9.419 197 HZ3 LYS 667 2HZ LYS 667 5.767 3.307 -8.684 198 H MET 668 H MET 668 4.606 -1.616 -4.987 199 HA MET 668 HA MET 668 2.997 -2.810 -7.137 200 HB2 MET 668 2HB MET 668 2.825 -4.337 -5.378 201 HB3 MET 668 1HB MET 668 2.801 -3.074 -4.154 202 HG2 MET 668 2HG MET 668 0.556 -2.414 -4.918 203 HG3 MET 668 1HG MET 668 0.585 -3.741 -6.078 204 HE1 MET 668 3HE MET 668 0.631 -2.961 -2.086 205 HE2 MET 668 1HE MET 668 1.016 -4.606 -1.580 206 HE3 MET 668 2HE MET 668 2.150 -3.705 -2.591 207 H ASP 669 H ASP 669 1.701 -1.463 -8.079 208 HA ASP 669 HA ASP 669 1.187 1.124 -6.848 209 HB2 ASP 669 2HB ASP 669 0.205 1.560 -9.230 210 HB3 ASP 669 1HB ASP 669 1.950 1.470 -9.012 211 H VAL 670 H VAL 670 -0.708 1.686 -6.044 212 HA VAL 670 HA VAL 670 -2.771 -0.343 -5.930 213 HB VAL 670 HB VAL 670 -2.971 2.382 -4.672 214 HG11 VAL 670 1HG1 VAL 670 -4.966 1.316 -4.311 215 HG12 VAL 670 2HG1 VAL 670 -4.234 -0.288 -4.300 216 HG13 VAL 670 3HG1 VAL 670 -4.061 0.770 -2.900 217 HG21 VAL 670 3HG2 VAL 670 -1.861 0.193 -3.035 218 HG22 VAL 670 1HG2 VAL 670 -0.773 0.881 -4.241 219 HG23 VAL 670 2HG2 VAL 670 -1.501 1.920 -3.016 220 H THR 671 H THR 671 -4.348 -0.445 -7.347 221 HA THR 671 HA THR 671 -5.042 1.920 -8.921 222 HB THR 671 HB THR 671 -6.369 -0.725 -9.390 223 HG1 THR 671 1HG THR 671 -3.724 -0.482 -9.178 224 HG21 THR 671 3HG2 THR 671 -6.946 1.145 -10.822 225 HG22 THR 671 1HG2 THR 671 -6.015 -0.028 -11.753 226 HG23 THR 671 2HG2 THR 671 -5.246 1.448 -11.173 227 H VAL 672 H VAL 672 -7.095 2.849 -8.885 228 HA VAL 672 HA VAL 672 -8.629 2.165 -6.483 229 HB VAL 672 HB VAL 672 -9.027 4.670 -8.094 230 HG11 VAL 672 1HG1 VAL 672 -9.885 3.612 -5.492 231 HG12 VAL 672 2HG1 VAL 672 -9.342 5.291 -5.461 232 HG13 VAL 672 3HG1 VAL 672 -10.649 4.806 -6.543 233 HG21 VAL 672 3HG2 VAL 672 -7.431 5.773 -6.502 234 HG22 VAL 672 1HG2 VAL 672 -6.914 4.162 -6.004 235 HG23 VAL 672 2HG2 VAL 672 -6.678 4.688 -7.670 236 H ILE 673 H ILE 673 -10.437 1.046 -6.719 237 HA ILE 673 HA ILE 673 -11.760 0.907 -9.300 238 HB ILE 673 HB ILE 673 -12.054 -0.546 -6.700 239 HG12 ILE 673 2HG1 ILE 673 -11.090 -2.175 -7.895 240 HG13 ILE 673 1HG1 ILE 673 -12.476 -2.199 -8.975 241 HG21 ILE 673 1HG2 ILE 673 -14.198 -1.322 -7.052 242 HG22 ILE 673 2HG2 ILE 673 -14.334 0.366 -7.555 243 HG23 ILE 673 3HG2 ILE 673 -14.180 -0.910 -8.767 244 HD11 ILE 673 3HD1 ILE 673 -11.404 -0.519 -10.384 245 HD12 ILE 673 1HD1 ILE 673 -10.022 -0.484 -9.290 246 HD13 ILE 673 2HD1 ILE 673 -10.390 -1.949 -10.195 247 H ASP 674 H ASP 674 -13.464 2.078 -9.870 248 HA ASP 674 HA ASP 674 -14.280 4.218 -8.142 249 HB2 ASP 674 2HB ASP 674 -13.937 4.754 -10.449 250 HB3 ASP 674 1HB ASP 674 -15.024 3.470 -10.969 251 H THR 675 H THR 675 -15.678 3.759 -6.564 252 HA THR 675 HA THR 675 -18.175 2.382 -7.264 253 HB THR 675 HB THR 675 -18.010 3.199 -4.495 254 HG1 THR 675 1HG THR 675 -16.220 1.914 -3.916 255 HG21 THR 675 3HG2 THR 675 -19.235 1.247 -5.855 256 HG22 THR 675 1HG2 THR 675 -18.891 1.130 -4.129 257 HG23 THR 675 2HG2 THR 675 -17.822 0.349 -5.297 258 H LYS 676 H LYS 676 -18.643 4.316 -8.567 259 HA LYS 676 HA LYS 676 -18.667 6.925 -7.659 260 HB2 LYS 676 2HB LYS 676 -19.306 5.635 -10.013 261 HB3 LYS 676 1HB LYS 676 -20.834 6.351 -9.524 262 HG2 LYS 676 2HG LYS 676 -19.889 8.538 -9.493 263 HG3 LYS 676 1HG LYS 676 -18.260 7.895 -9.726 264 HD2 LYS 676 2HD LYS 676 -20.161 7.041 -11.774 265 HD3 LYS 676 1HD LYS 676 -19.923 8.790 -11.715 266 HE2 LYS 676 2HE LYS 676 -18.130 8.398 -12.995 267 HE3 LYS 676 1HE LYS 676 -17.367 7.862 -11.499 268 HZ1 LYS 676 3HZ LYS 676 -17.454 5.713 -12.111 269 HZ2 LYS 676 1HZ LYS 676 -17.503 6.364 -13.680 270 HZ3 LYS 676 2HZ LYS 676 -18.937 5.866 -12.920 271 H ASP 677 H ASP 677 -21.339 4.572 -7.575 272 HA ASP 677 HA ASP 677 -23.116 6.588 -6.524 273 HB2 ASP 677 2HB ASP 677 -23.605 4.465 -8.109 274 HB3 ASP 677 1HB ASP 677 -24.019 3.771 -6.542 275 H GLY 678 H GLY 678 -20.798 5.645 -5.014 276 HA2 GLY 678 1HA GLY 678 -22.109 4.597 -2.605 277 HA3 GLY 678 2HA GLY 678 -20.373 4.728 -2.855 278 H SER 679 H SER 679 -20.671 7.447 -3.948 279 HA SER 679 HA SER 679 -20.771 8.867 -1.409 280 HB2 SER 679 2HB SER 679 -20.097 10.595 -3.572 281 HB3 SER 679 1HB SER 679 -19.041 9.970 -2.303 282 HG SER 679 HG SER 679 -18.728 9.462 -4.760 283 H GLN 680 H GLN 680 -22.700 8.381 -4.192 284 HA GLN 680 HA GLN 680 -24.341 10.718 -3.474 285 HB2 GLN 680 2HB GLN 680 -25.165 10.410 -5.953 286 HB3 GLN 680 1HB GLN 680 -23.701 11.314 -5.593 287 HG2 GLN 680 2HG GLN 680 -22.314 9.563 -6.298 288 HG3 GLN 680 1HG GLN 680 -23.636 8.395 -6.270 289 HE21 GLN 680 1HE2 GLN 680 -24.528 7.916 -8.145 290 HE22 GLN 680 2HE2 GLN 680 -24.446 8.886 -9.581 291 H SER 681 H SER 681 -24.476 7.419 -4.796 292 HA SER 681 HA SER 681 -26.101 5.848 -4.852 293 HB2 SER 681 2HB SER 681 -26.883 7.283 -2.310 294 HB3 SER 681 1HB SER 681 -27.680 5.811 -2.864 295 HG SER 681 HG SER 681 -25.073 5.381 -2.993 296 H LYS 682 H LYS 682 -26.460 7.847 -6.575 297 HA LYS 682 HA LYS 682 -29.258 8.719 -6.372 298 HB2 LYS 682 2HB LYS 682 -27.175 10.290 -6.789 299 HB3 LYS 682 1HB LYS 682 -27.374 9.752 -8.450 300 HG2 LYS 682 2HG LYS 682 -29.932 10.466 -7.624 301 HG3 LYS 682 1HG LYS 682 -28.867 11.707 -6.960 302 HD2 LYS 682 2HD LYS 682 -27.820 11.609 -9.381 303 HD3 LYS 682 1HD LYS 682 -29.418 10.990 -9.796 304 HE2 LYS 682 2HE LYS 682 -30.164 13.078 -9.848 305 HE3 LYS 682 1HE LYS 682 -29.839 13.198 -8.117 306 HZ1 LYS 682 3HZ LYS 682 -27.833 14.224 -8.471 307 HZ2 LYS 682 1HZ LYS 682 -28.756 14.867 -9.740 308 HZ3 LYS 682 2HZ LYS 682 -27.654 13.616 -10.044 309 H LEU 683 H LEU 683 -27.117 6.638 -8.033 310 HA LEU 683 HA LEU 683 -28.842 6.322 -10.348 311 HB2 LEU 683 2HB LEU 683 -26.407 4.734 -9.515 312 HB3 LEU 683 1HB LEU 683 -27.226 4.625 -11.061 313 HG LEU 683 HG LEU 683 -26.125 7.262 -10.194 314 HD11 LEU 683 1HD1 LEU 683 -24.536 4.946 -10.361 315 HD12 LEU 683 2HD1 LEU 683 -24.232 5.880 -11.826 316 HD13 LEU 683 3HD1 LEU 683 -24.006 6.623 -10.242 317 HD21 LEU 683 3HD2 LEU 683 -25.607 6.837 -12.859 318 HD22 LEU 683 1HD2 LEU 683 -27.145 6.006 -12.614 319 HD23 LEU 683 2HD2 LEU 683 -26.989 7.715 -12.201 320 H GLY 684 H GLY 684 -27.860 4.512 -7.474 321 HA2 GLY 684 1HA GLY 684 -30.435 3.365 -7.149 322 HA3 GLY 684 2HA GLY 684 -29.347 2.192 -7.879 323 H GLY 685 H GLY 685 -27.074 2.264 -6.707 324 HA2 GLY 685 1HA GLY 685 -25.932 1.623 -4.827 325 HA3 GLY 685 2HA GLY 685 -27.045 2.628 -3.905 326 H GLY 901 H GLY 901 -28.446 1.643 -2.598 327 HA2 GLY 901 1HA GLY 901 -28.891 -1.248 -2.969 328 HA3 GLY 901 2HA GLY 901 -29.056 -0.394 -1.437 329 H GLY 902 H GLY 902 -30.956 0.605 -0.932 330 HA2 GLY 902 1HA GLY 902 -33.018 1.618 -1.319 331 HA3 GLY 902 2HA GLY 902 -32.877 1.202 -3.018 332 H SER 903 H SER 903 -33.898 0.131 0.127 333 HA SER 903 HA SER 903 -35.611 -1.850 -1.184 334 HB2 SER 903 2HB SER 903 -33.815 -2.325 1.198 335 HB3 SER 903 1HB SER 903 -35.200 -3.352 0.842 336 HG SER 903 HG SER 903 -34.072 -3.368 -1.393 337 H GLY 904 H GLY 904 -37.674 -1.709 -0.532 338 HA2 GLY 904 1HA GLY 904 -38.399 0.256 1.449 339 HA3 GLY 904 2HA GLY 904 -39.501 -0.747 0.514 340 H GLY 905 H GLY 905 -38.306 -3.245 1.217 341 HA2 GLY 905 1HA GLY 905 -39.480 -3.606 3.839 342 HA3 GLY 905 2HA GLY 905 -38.838 -4.869 2.797 343 H HIS 906 H HIS 906 -36.801 -5.597 3.112 344 HA HIS 906 HA HIS 906 -35.083 -4.110 4.962 345 HB2 HIS 906 2HB HIS 906 -36.323 -6.693 5.470 346 HB3 HIS 906 1HB HIS 906 -34.568 -6.777 5.565 347 HD1 HIS 906 1HD HIS 906 -33.411 -5.457 7.484 348 HD2 HIS 906 2HD HIS 906 -37.565 -5.194 7.458 349 HE1 HIS 906 1HE HIS 906 -34.080 -4.465 9.715 350 H MET 907 H MET 907 -32.849 -4.485 4.703 351 HA MET 907 HA MET 907 -32.133 -5.240 2.004 352 HB2 MET 907 2HB MET 907 -31.193 -3.293 3.529 353 HB3 MET 907 1HB MET 907 -30.090 -4.549 4.074 354 HG2 MET 907 2HG MET 907 -29.000 -4.660 2.087 355 HG3 MET 907 1HG MET 907 -30.426 -4.206 1.154 356 HE1 MET 907 3HE MET 907 -26.939 -2.418 2.532 357 HE2 MET 907 1HE MET 907 -27.864 -1.468 3.695 358 HE3 MET 907 2HE MET 907 -27.962 -3.231 3.715 359 H GLY 908 H GLY 908 -32.963 -7.511 2.694 360 HA2 GLY 908 1HA GLY 908 -30.681 -9.046 3.780 361 HA3 GLY 908 2HA GLY 908 -32.360 -9.510 4.006 362 H SER 909 H SER 909 -29.640 -9.571 1.901 363 HA SER 909 HA SER 909 -31.153 -11.012 -0.149 364 HB2 SER 909 2HB SER 909 -28.371 -10.769 -0.780 365 HB3 SER 909 1HB SER 909 -29.747 -10.004 -1.576 366 HG SER 909 HG SER 909 -27.911 -8.760 -0.305 367 H GLY 910 H GLY 910 -29.728 -12.884 -1.164 368 HA2 GLY 910 1HA GLY 910 -29.048 -14.661 1.073 369 HA3 GLY 910 2HA GLY 910 -29.405 -15.163 -0.573 370 H GLY 911 H GLY 911 -27.128 -15.810 1.189 371 HA2 GLY 911 1HA GLY 911 -24.856 -16.108 0.998 372 HA3 GLY 911 2HA GLY 911 -25.023 -15.628 -0.685 373 H LEU 18 H LEU 18 -24.202 -13.752 -1.297 374 HA LEU 18 HA LEU 18 -24.032 -11.545 0.585 375 HB2 LEU 18 2HB LEU 18 -21.834 -12.795 0.632 376 HB3 LEU 18 1HB LEU 18 -21.635 -12.352 -1.054 377 HG LEU 18 HG LEU 18 -21.580 -9.995 -0.478 378 HD11 LEU 18 1HD1 LEU 18 -21.491 -10.459 2.429 379 HD12 LEU 18 2HD1 LEU 18 -22.164 -9.113 1.512 380 HD13 LEU 18 3HD1 LEU 18 -23.077 -10.612 1.674 381 HD21 LEU 18 3HD2 LEU 18 -19.463 -9.921 0.481 382 HD22 LEU 18 1HD2 LEU 18 -19.771 -11.332 1.494 383 HD23 LEU 18 2HD2 LEU 18 -19.537 -11.527 -0.242 384 H SER 19 H SER 19 -24.226 -9.569 -0.405 385 HA SER 19 HA SER 19 -25.269 -9.694 -3.105 386 HB2 SER 19 2HB SER 19 -25.217 -7.113 -1.679 387 HB3 SER 19 1HB SER 19 -26.555 -7.922 -2.499 388 HG SER 19 HG SER 19 -26.133 -7.774 0.093 389 H TRP 20 H TRP 20 -22.525 -8.412 -1.384 390 HA TRP 20 HA TRP 20 -21.678 -7.024 -3.831 391 HB2 TRP 20 2HB TRP 20 -20.150 -6.002 -1.699 392 HB3 TRP 20 1HB TRP 20 -21.413 -5.186 -2.600 393 HD1 TRP 20 HD TRP 20 -24.036 -5.786 -1.506 394 HE1 TRP 20 1HE TRP 20 -24.688 -5.716 0.983 395 HE3 TRP 20 3HE TRP 20 -19.387 -6.136 0.555 396 HZ2 TRP 20 2HZ TRP 20 -23.396 -5.751 3.488 397 HZ3 TRP 20 3HZ TRP 20 -19.174 -6.094 3.007 398 HH2 TRP 20 HH TRP 20 -21.139 -5.907 4.444 399 H LYS 21 H LYS 21 -19.120 -6.946 -1.717 400 HA LYS 21 HA LYS 21 -17.967 -9.320 -3.020 401 HB2 LYS 21 2HB LYS 21 -16.359 -6.862 -2.370 402 HB3 LYS 21 1HB LYS 21 -15.952 -8.181 -3.457 403 HG2 LYS 21 2HG LYS 21 -18.372 -6.650 -4.145 404 HG3 LYS 21 1HG LYS 21 -16.837 -5.786 -4.275 405 HD2 LYS 21 2HD LYS 21 -15.980 -7.697 -5.648 406 HD3 LYS 21 1HD LYS 21 -17.620 -8.358 -5.642 407 HE2 LYS 21 2HE LYS 21 -18.068 -5.788 -6.417 408 HE3 LYS 21 1HE LYS 21 -16.491 -6.104 -7.143 409 HZ1 LYS 21 3HZ LYS 21 -18.243 -8.297 -7.563 410 HZ2 LYS 21 1HZ LYS 21 -17.441 -7.326 -8.705 411 HZ3 LYS 21 2HZ LYS 21 -18.961 -6.862 -8.115 412 H ARG 22 H ARG 22 -16.728 -10.646 -1.845 413 HA ARG 22 HA ARG 22 -16.442 -10.155 1.009 414 HB2 ARG 22 2HB ARG 22 -17.151 -12.362 0.508 415 HB3 ARG 22 1HB ARG 22 -15.979 -12.530 -0.790 416 HG2 ARG 22 2HG ARG 22 -14.761 -12.057 1.819 417 HG3 ARG 22 1HG ARG 22 -15.716 -13.540 1.734 418 HD2 ARG 22 2HD ARG 22 -14.378 -14.466 0.101 419 HD3 ARG 22 1HD ARG 22 -13.832 -12.888 -0.475 420 HE ARG 22 HE ARG 22 -12.298 -12.781 1.322 421 HH11 ARG 22 2HH1 ARG 22 -14.019 -15.836 1.190 422 HH12 ARG 22 1HH1 ARG 22 -12.848 -16.674 2.163 423 HH21 ARG 22 2HH2 ARG 22 -10.738 -13.907 2.564 424 HH22 ARG 22 1HH2 ARG 22 -10.983 -15.584 2.925 425 H CYS 23 H CYS 23 -14.453 -9.872 2.014 426 HA CYS 23 HA CYS 23 -12.482 -8.753 0.200 427 HB2 CYS 23 2HB CYS 23 -11.774 -7.409 1.966 428 HB3 CYS 23 1HB CYS 23 -13.517 -7.502 2.145 429 H ALA 24 H ALA 24 -10.183 -9.005 0.623 430 HA ALA 24 HA ALA 24 -9.664 -11.818 0.494 431 HB1 ALA 24 1HB ALA 24 -7.825 -11.270 -0.683 432 HB2 ALA 24 2HB ALA 24 -8.656 -9.720 -0.824 433 HB3 ALA 24 3HB ALA 24 -7.397 -9.938 0.390 434 H GLY 25 H GLY 25 -8.332 -9.195 2.545 435 HA2 GLY 25 1HA GLY 25 -6.525 -10.943 3.884 436 HA3 GLY 25 2HA GLY 25 -6.904 -9.294 4.342 437 H CYS 26 H CYS 26 -9.057 -9.004 5.469 438 HA CYS 26 HA CYS 26 -9.217 -10.515 7.777 439 HB2 CYS 26 2HB CYS 26 -11.768 -9.358 6.789 440 HB3 CYS 26 1HB CYS 26 -11.004 -9.216 8.367 441 H GLY 27 H GLY 27 -11.033 -10.874 4.769 442 HA2 GLY 27 1HA GLY 27 -11.824 -12.877 3.873 443 HA3 GLY 27 2HA GLY 27 -11.488 -13.670 5.407 444 H GLY 28 H GLY 28 -13.361 -10.734 4.865 445 HA2 GLY 28 1HA GLY 28 -15.762 -12.230 5.723 446 HA3 GLY 28 2HA GLY 28 -15.388 -10.626 6.342 447 H LYS 29 H LYS 29 -15.275 -8.875 4.785 448 HA LYS 29 HA LYS 29 -16.233 -9.041 2.168 449 HB2 LYS 29 2HB LYS 29 -18.485 -7.903 2.602 450 HB3 LYS 29 1HB LYS 29 -18.396 -9.631 2.912 451 HG2 LYS 29 2HG LYS 29 -17.733 -8.486 5.341 452 HG3 LYS 29 1HG LYS 29 -19.015 -7.450 4.709 453 HD2 LYS 29 2HD LYS 29 -19.649 -10.226 4.279 454 HD3 LYS 29 1HD LYS 29 -19.302 -9.926 5.983 455 HE2 LYS 29 2HE LYS 29 -21.023 -7.946 4.626 456 HE3 LYS 29 1HE LYS 29 -21.719 -9.547 4.863 457 HZ1 LYS 29 3HZ LYS 29 -20.384 -8.384 7.171 458 HZ2 LYS 29 1HZ LYS 29 -21.832 -9.268 7.078 459 HZ3 LYS 29 2HZ LYS 29 -21.816 -7.616 6.688 460 H ILE 30 H ILE 30 -16.062 -7.065 1.150 461 HA ILE 30 HA ILE 30 -14.650 -5.029 2.576 462 HB ILE 30 HB ILE 30 -15.797 -5.030 -0.223 463 HG12 ILE 30 2HG1 ILE 30 -12.884 -5.077 0.376 464 HG13 ILE 30 1HG1 ILE 30 -13.796 -6.555 0.661 465 HG21 ILE 30 1HG2 ILE 30 -14.738 -3.010 -0.671 466 HG22 ILE 30 2HG2 ILE 30 -15.408 -2.755 0.940 467 HG23 ILE 30 3HG2 ILE 30 -13.697 -3.128 0.748 468 HD11 ILE 30 3HD1 ILE 30 -14.593 -6.456 -1.677 469 HD12 ILE 30 1HD1 ILE 30 -13.541 -5.063 -1.936 470 HD13 ILE 30 2HD1 ILE 30 -12.846 -6.633 -1.530 471 H ALA 31 H ALA 31 -15.670 -3.803 4.013 472 HA ALA 31 HA ALA 31 -18.285 -2.669 3.273 473 HB1 ALA 31 1HB ALA 31 -18.144 -2.348 5.981 474 HB2 ALA 31 2HB ALA 31 -18.966 -3.671 5.157 475 HB3 ALA 31 3HB ALA 31 -17.321 -3.890 5.751 476 H ASP 32 H ASP 32 -15.728 -1.606 2.521 477 HA ASP 32 HA ASP 32 -15.402 0.777 4.170 478 HB2 ASP 32 2HB ASP 32 -13.860 -0.579 2.056 479 HB3 ASP 32 1HB ASP 32 -13.802 1.178 1.999 480 H ARG 33 H ARG 33 -14.776 1.418 0.943 481 HA ARG 33 HA ARG 33 -17.426 2.247 0.155 482 HB2 ARG 33 2HB ARG 33 -16.144 4.096 1.630 483 HB3 ARG 33 1HB ARG 33 -15.464 4.472 0.052 484 HG2 ARG 33 2HG ARG 33 -18.268 4.147 -0.249 485 HG3 ARG 33 1HG ARG 33 -17.975 5.218 1.121 486 HD2 ARG 33 2HD ARG 33 -17.245 5.571 -1.755 487 HD3 ARG 33 1HD ARG 33 -18.063 6.685 -0.664 488 HE ARG 33 HE ARG 33 -15.227 6.378 -1.043 489 HH11 ARG 33 2HH1 ARG 33 -17.701 7.459 1.222 490 HH12 ARG 33 1HH1 ARG 33 -16.637 8.597 2.000 491 HH21 ARG 33 2HH2 ARG 33 -13.865 7.871 -0.010 492 HH22 ARG 33 1HH2 ARG 33 -14.480 8.828 1.311 493 H PHE 34 H PHE 34 -14.115 3.267 -0.641 494 HA PHE 34 HA PHE 34 -14.568 2.365 -3.380 495 HB2 PHE 34 2HB PHE 34 -12.831 4.372 -2.100 496 HB3 PHE 34 1HB PHE 34 -12.066 3.457 -3.399 497 HD1 PHE 34 1HD PHE 34 -15.510 4.786 -2.878 498 HD2 PHE 34 2HD PHE 34 -12.047 4.667 -5.345 499 HE1 PHE 34 1HE PHE 34 -16.669 6.148 -4.556 500 HE2 PHE 34 2HE PHE 34 -13.200 6.035 -7.034 501 HZ PHE 34 HZ PHE 34 -15.515 6.772 -6.644 502 H LEU 35 H LEU 35 -13.236 0.871 -4.383 503 HA LEU 35 HA LEU 35 -12.040 -1.016 -2.510 504 HB2 LEU 35 2HB LEU 35 -12.864 -1.227 -5.396 505 HB3 LEU 35 1HB LEU 35 -11.951 -2.485 -4.587 506 HG LEU 35 HG LEU 35 -13.951 -2.346 -2.850 507 HD11 LEU 35 1HD1 LEU 35 -14.947 -0.432 -4.215 508 HD12 LEU 35 2HD1 LEU 35 -15.396 -1.667 -5.390 509 HD13 LEU 35 3HD1 LEU 35 -16.027 -1.743 -3.746 510 HD21 LEU 35 3HD2 LEU 35 -13.162 -4.097 -4.793 511 HD22 LEU 35 1HD2 LEU 35 -14.472 -4.374 -3.643 512 HD23 LEU 35 2HD2 LEU 35 -14.830 -3.756 -5.256 513 H LEU 36 H LEU 36 -9.934 -1.608 -2.551 514 HA LEU 36 HA LEU 36 -8.187 0.109 -4.176 515 HB2 LEU 36 2HB LEU 36 -7.673 -1.289 -1.547 516 HB3 LEU 36 1HB LEU 36 -6.475 -0.369 -2.436 517 HG LEU 36 HG LEU 36 -8.952 1.106 -1.841 518 HD11 LEU 36 1HD1 LEU 36 -7.068 0.721 0.445 519 HD12 LEU 36 2HD1 LEU 36 -8.737 1.295 0.447 520 HD13 LEU 36 3HD1 LEU 36 -8.392 -0.418 0.196 521 HD21 LEU 36 3HD2 LEU 36 -6.398 2.164 -0.940 522 HD22 LEU 36 1HD2 LEU 36 -6.384 1.694 -2.639 523 HD23 LEU 36 2HD2 LEU 36 -7.580 2.853 -2.052 524 H TYR 37 H TYR 37 -7.063 -0.806 -5.718 525 HA TYR 37 HA TYR 37 -7.056 -3.708 -5.964 526 HB2 TYR 37 2HB TYR 37 -7.287 -1.579 -7.754 527 HB3 TYR 37 1HB TYR 37 -5.686 -2.242 -8.060 528 HD1 TYR 37 1HD TYR 37 -7.109 -5.034 -6.965 529 HD2 TYR 37 2HD TYR 37 -7.581 -2.296 -10.179 530 HE1 TYR 37 1HE TYR 37 -8.094 -6.820 -8.324 531 HE2 TYR 37 2HE TYR 37 -8.574 -4.057 -11.551 532 HH TYR 37 HH TYR 37 -8.250 -7.163 -11.071 533 H ALA 38 H ALA 38 -5.480 -4.705 -4.940 534 HA ALA 38 HA ALA 38 -2.737 -3.745 -5.373 535 HB1 ALA 38 1HB ALA 38 -2.116 -4.068 -3.154 536 HB2 ALA 38 2HB ALA 38 -3.697 -3.297 -3.032 537 HB3 ALA 38 3HB ALA 38 -3.546 -5.039 -2.802 538 H MET 39 H MET 39 -1.391 -5.247 -6.079 539 HA MET 39 HA MET 39 -0.476 -7.209 -6.707 540 HB2 MET 39 2HB MET 39 -2.349 -8.575 -4.772 541 HB3 MET 39 1HB MET 39 -0.854 -9.211 -5.441 542 HG2 MET 39 2HG MET 39 0.202 -7.118 -4.280 543 HG3 MET 39 1HG MET 39 -1.257 -7.190 -3.295 544 HE1 MET 39 3HE MET 39 -0.907 -7.824 -1.168 545 HE2 MET 39 1HE MET 39 -1.728 -9.355 -1.490 546 HE3 MET 39 2HE MET 39 -0.221 -9.338 -0.573 547 H ASP 40 H ASP 40 -3.936 -7.878 -6.147 548 HA ASP 40 HA ASP 40 -4.566 -8.192 -8.879 549 HB2 ASP 40 2HB ASP 40 -4.167 -10.367 -9.312 550 HB3 ASP 40 1HB ASP 40 -3.266 -10.438 -7.802 551 H SER 41 H SER 41 -5.303 -8.308 -5.530 552 HA SER 41 HA SER 41 -8.082 -9.088 -6.056 553 HB2 SER 41 2HB SER 41 -7.217 -8.804 -3.259 554 HB3 SER 41 1HB SER 41 -8.060 -10.137 -4.053 555 HG SER 41 HG SER 41 -5.908 -10.572 -5.059 556 H TYR 42 H TYR 42 -9.698 -8.010 -4.567 557 HA TYR 42 HA TYR 42 -9.252 -5.116 -4.620 558 HB2 TYR 42 2HB TYR 42 -11.916 -5.560 -3.919 559 HB3 TYR 42 1HB TYR 42 -11.317 -5.112 -5.510 560 HD1 TYR 42 2HD TYR 42 -10.957 -6.864 -7.228 561 HD2 TYR 42 1HD TYR 42 -12.763 -7.743 -3.483 562 HE1 TYR 42 2HE TYR 42 -11.815 -8.977 -8.146 563 HE2 TYR 42 1HE TYR 42 -13.631 -9.856 -4.390 564 HH TYR 42 HH TYR 42 -14.082 -10.585 -7.293 565 H TRP 43 H TRP 43 -8.700 -4.173 -2.794 566 HA TRP 43 HA TRP 43 -9.397 -5.508 -0.256 567 HB2 TRP 43 2HB TRP 43 -7.117 -3.567 -0.630 568 HB3 TRP 43 1HB TRP 43 -7.366 -4.699 0.691 569 HD1 TRP 43 HD TRP 43 -6.546 -4.792 -3.096 570 HE1 TRP 43 1HE TRP 43 -5.033 -6.820 -3.544 571 HE3 TRP 43 3HE TRP 43 -6.455 -6.797 1.605 572 HZ2 TRP 43 2HZ TRP 43 -3.942 -8.971 -2.111 573 HZ3 TRP 43 3HZ TRP 43 -5.140 -8.849 1.978 574 HH2 TRP 43 HH TRP 43 -3.911 -9.908 0.151 575 H HIS 44 H HIS 44 -9.356 -3.942 1.612 576 HA HIS 44 HA HIS 44 -10.313 -1.256 0.917 577 HB2 HIS 44 2HB HIS 44 -11.943 -1.373 2.805 578 HB3 HIS 44 1HB HIS 44 -12.321 -2.505 1.513 579 HD1 HIS 44 1HD HIS 44 -12.664 -2.521 4.952 580 HD2 HIS 44 2HD HIS 44 -10.679 -5.055 2.323 581 HE1 HIS 44 1HE HIS 44 -12.321 -4.736 6.184 582 H SER 45 H SER 45 -10.462 -0.149 3.439 583 HA SER 45 HA SER 45 -7.815 0.475 3.953 584 HB2 SER 45 2HB SER 45 -8.703 1.345 6.183 585 HB3 SER 45 1HB SER 45 -9.475 1.976 4.724 586 HG SER 45 HG SER 45 -11.262 0.853 5.140 587 H ARG 46 H ARG 46 -9.856 -1.876 5.634 588 HA ARG 46 HA ARG 46 -7.816 -2.415 7.596 589 HB2 ARG 46 2HB ARG 46 -10.479 -3.770 7.155 590 HB3 ARG 46 1HB ARG 46 -9.442 -3.959 8.564 591 HG2 ARG 46 2HG ARG 46 -9.990 -1.915 9.418 592 HG3 ARG 46 1HG ARG 46 -10.310 -1.215 7.831 593 HD2 ARG 46 2HD ARG 46 -12.116 -3.393 8.587 594 HD3 ARG 46 1HD ARG 46 -12.215 -1.970 9.624 595 HE ARG 46 HE ARG 46 -12.257 -1.219 6.889 596 HH11 ARG 46 2HH1 ARG 46 -14.240 -2.581 9.427 597 HH12 ARG 46 1HH1 ARG 46 -15.735 -2.080 8.706 598 HH21 ARG 46 2HH2 ARG 46 -14.198 -0.573 5.913 599 HH22 ARG 46 1HH2 ARG 46 -15.717 -0.937 6.687 600 H CYS 47 H CYS 47 -8.355 -3.496 4.491 601 HA CYS 47 HA CYS 47 -7.180 -6.132 5.010 602 HB2 CYS 47 2HB CYS 47 -8.992 -5.083 3.027 603 HB3 CYS 47 1HB CYS 47 -7.587 -5.801 2.248 604 H LEU 48 H LEU 48 -6.742 -3.254 3.001 605 HA LEU 48 HA LEU 48 -4.137 -4.072 2.124 606 HB2 LEU 48 2HB LEU 48 -6.051 -2.030 1.451 607 HB3 LEU 48 1HB LEU 48 -4.465 -1.320 1.654 608 HG LEU 48 HG LEU 48 -5.450 -3.184 -0.427 609 HD11 LEU 48 1HD1 LEU 48 -3.430 -1.701 -1.462 610 HD12 LEU 48 2HD1 LEU 48 -5.127 -1.223 -1.448 611 HD13 LEU 48 3HD1 LEU 48 -4.034 -0.635 -0.194 612 HD21 LEU 48 3HD2 LEU 48 -3.778 -4.635 -0.235 613 HD22 LEU 48 1HD2 LEU 48 -2.671 -3.318 -0.627 614 HD23 LEU 48 2HD2 LEU 48 -3.033 -3.693 1.057 615 H LYS 49 H LYS 49 -3.526 -4.394 4.419 616 HA LYS 49 HA LYS 49 -1.943 -2.098 5.276 617 HB2 LYS 49 2HB LYS 49 -2.503 -2.902 7.705 618 HB3 LYS 49 1HB LYS 49 -3.615 -1.823 6.878 619 HG2 LYS 49 2HG LYS 49 -5.122 -3.329 7.619 620 HG3 LYS 49 1HG LYS 49 -4.669 -4.160 6.130 621 HD2 LYS 49 2HD LYS 49 -2.776 -5.073 7.867 622 HD3 LYS 49 1HD LYS 49 -4.175 -4.890 8.928 623 HE2 LYS 49 2HE LYS 49 -4.356 -7.077 8.129 624 HE3 LYS 49 1HE LYS 49 -5.469 -6.159 7.114 625 HZ1 LYS 49 3HZ LYS 49 -3.521 -7.814 6.212 626 HZ2 LYS 49 1HZ LYS 49 -2.797 -6.286 6.056 627 HZ3 LYS 49 2HZ LYS 49 -4.277 -6.601 5.298 628 H CYS 50 H CYS 50 -0.083 -2.786 6.585 629 HA CYS 50 HA CYS 50 0.919 -5.314 5.731 630 HB2 CYS 50 2HB CYS 50 2.912 -4.736 6.956 631 HB3 CYS 50 1HB CYS 50 2.356 -3.331 6.073 632 H SER 51 H SER 51 1.350 -7.164 6.988 633 HA SER 51 HA SER 51 -0.685 -7.629 8.960 634 HB2 SER 51 2HB SER 51 0.947 -9.876 8.914 635 HB3 SER 51 1HB SER 51 -0.496 -9.617 7.930 636 HG SER 51 HG SER 51 2.194 -9.470 7.238 637 H SER 52 H SER 52 2.418 -6.379 9.177 638 HA SER 52 HA SER 52 3.016 -7.682 11.714 639 HB2 SER 52 2HB SER 52 4.867 -5.687 10.510 640 HB3 SER 52 1HB SER 52 5.222 -7.195 11.352 641 HG SER 52 HG SER 52 5.037 -6.746 8.729 642 H CYS 53 H CYS 53 2.683 -4.331 10.446 643 HA CYS 53 HA CYS 53 2.354 -3.482 13.247 644 HB2 CYS 53 2HB CYS 53 2.688 -1.368 11.222 645 HB3 CYS 53 1HB CYS 53 3.405 -1.520 12.818 646 H GLN 54 H GLN 54 0.700 -4.133 10.441 647 HA GLN 54 HA GLN 54 -1.406 -3.802 9.713 648 HB2 GLN 54 2HB GLN 54 -1.634 -3.201 12.597 649 HB3 GLN 54 1HB GLN 54 -2.898 -2.514 11.585 650 HG2 GLN 54 2HG GLN 54 -2.498 -5.208 10.796 651 HG3 GLN 54 1HG GLN 54 -2.645 -5.159 12.552 652 HE21 GLN 54 1HE2 GLN 54 -4.487 -6.312 10.690 653 HE22 GLN 54 2HE2 GLN 54 -5.985 -5.462 10.865 654 H ALA 55 H ALA 55 0.581 -2.016 9.039 655 HA ALA 55 HA ALA 55 -0.426 0.683 9.313 656 HB1 ALA 55 1HB ALA 55 1.686 1.154 8.776 657 HB2 ALA 55 2HB ALA 55 1.997 -0.543 8.414 658 HB3 ALA 55 3HB ALA 55 1.395 0.531 7.152 659 H GLN 56 H GLN 56 -2.301 1.124 8.357 660 HA GLN 56 HA GLN 56 -3.384 -0.272 6.191 661 HB2 GLN 56 2HB GLN 56 -4.166 2.554 6.833 662 HB3 GLN 56 1HB GLN 56 -5.178 1.224 6.291 663 HG2 GLN 56 2HG GLN 56 -3.874 0.773 8.873 664 HG3 GLN 56 1HG GLN 56 -5.010 2.118 8.852 665 HE21 GLN 56 1HE2 GLN 56 -7.182 1.717 8.465 666 HE22 GLN 56 2HE2 GLN 56 -7.861 0.134 8.592 667 H LEU 57 H LEU 57 -1.916 -0.366 4.533 668 HA LEU 57 HA LEU 57 -0.656 1.879 3.358 669 HB2 LEU 57 2HB LEU 57 -1.198 -0.830 2.140 670 HB3 LEU 57 1HB LEU 57 -0.009 0.335 1.588 671 HG LEU 57 HG LEU 57 0.234 -0.585 4.399 672 HD11 LEU 57 1HD1 LEU 57 -0.299 -2.621 2.946 673 HD12 LEU 57 2HD1 LEU 57 1.268 -2.327 2.189 674 HD13 LEU 57 3HD1 LEU 57 1.174 -2.671 3.920 675 HD21 LEU 57 3HD2 LEU 57 1.749 1.061 3.346 676 HD22 LEU 57 1HD2 LEU 57 2.581 -0.383 3.924 677 HD23 LEU 57 2HD2 LEU 57 2.254 -0.184 2.203 678 H GLY 58 H GLY 58 -3.808 0.585 3.133 679 HA2 GLY 58 1HA GLY 58 -4.525 1.584 0.569 680 HA3 GLY 58 2HA GLY 58 -5.635 1.177 1.872 681 H ASP 59 H ASP 59 -3.807 3.169 3.483 682 HA ASP 59 HA ASP 59 -5.310 5.559 2.717 683 HB2 ASP 59 2HB ASP 59 -5.626 5.170 5.015 684 HB3 ASP 59 1HB ASP 59 -3.960 4.660 5.249 685 H ILE 60 H ILE 60 -2.487 4.139 2.129 686 HA ILE 60 HA ILE 60 -0.909 6.619 2.056 687 HB ILE 60 HB ILE 60 0.179 3.813 1.811 688 HG12 ILE 60 2HG1 ILE 60 0.115 5.521 4.305 689 HG13 ILE 60 1HG1 ILE 60 -1.010 4.202 3.996 690 HG21 ILE 60 1HG2 ILE 60 1.495 6.440 2.499 691 HG22 ILE 60 2HG2 ILE 60 2.300 4.874 2.385 692 HG23 ILE 60 3HG2 ILE 60 1.597 5.609 0.945 693 HD11 ILE 60 3HD1 ILE 60 0.613 2.589 4.268 694 HD12 ILE 60 1HD1 ILE 60 1.931 3.707 3.924 695 HD13 ILE 60 2HD1 ILE 60 1.078 3.800 5.463 696 H GLY 61 H GLY 61 -1.062 7.557 0.112 697 HA2 GLY 61 1HA GLY 61 -1.601 6.050 -2.281 698 HA3 GLY 61 2HA GLY 61 -1.309 7.780 -2.179 699 H THR 62 H THR 62 1.185 6.536 -0.561 700 HA THR 62 HA THR 62 3.007 6.917 -2.736 701 HB THR 62 HB THR 62 4.000 5.775 -0.189 702 HG1 THR 62 1HG THR 62 2.726 8.330 -0.384 703 HG21 THR 62 3HG2 THR 62 5.057 8.340 -0.950 704 HG22 THR 62 1HG2 THR 62 5.018 7.266 -2.348 705 HG23 THR 62 2HG2 THR 62 5.872 6.777 -0.883 706 H SER 63 H SER 63 4.653 5.378 -3.330 707 HA SER 63 HA SER 63 3.593 2.976 -4.231 708 HB2 SER 63 2HB SER 63 6.502 3.018 -4.037 709 HB3 SER 63 1HB SER 63 5.464 2.982 -5.467 710 HG SER 63 HG SER 63 6.832 4.949 -5.058 711 H SER 64 H SER 64 3.098 1.220 -3.108 712 HA SER 64 HA SER 64 4.571 0.507 -0.700 713 HB2 SER 64 2HB SER 64 2.603 -1.444 -1.336 714 HB3 SER 64 1HB SER 64 2.541 -0.226 -0.059 715 HG SER 64 HG SER 64 1.419 1.110 -1.371 716 H TYR 65 H TYR 65 4.917 -2.030 -0.530 717 HA TYR 65 HA TYR 65 6.156 -2.904 -3.050 718 HB2 TYR 65 2HB TYR 65 7.362 -3.248 -0.299 719 HB3 TYR 65 1HB TYR 65 8.078 -3.745 -1.829 720 HD1 TYR 65 2HD TYR 65 8.455 -1.816 -3.568 721 HD2 TYR 65 1HD TYR 65 7.942 -1.199 0.611 722 HE1 TYR 65 2HE TYR 65 9.538 0.378 -3.764 723 HE2 TYR 65 1HE TYR 65 9.020 1.001 0.426 724 HH TYR 65 HH TYR 65 9.759 2.420 -2.671 725 H THR 66 H THR 66 6.487 -5.215 -3.228 726 HA THR 66 HA THR 66 5.098 -6.922 -1.342 727 HB THR 66 HB THR 66 3.322 -6.085 -2.932 728 HG1 THR 66 1HG THR 66 2.757 -7.967 -2.007 729 HG21 THR 66 3HG2 THR 66 4.664 -5.997 -4.971 730 HG22 THR 66 1HG2 THR 66 3.266 -7.052 -5.187 731 HG23 THR 66 2HG2 THR 66 4.865 -7.750 -4.925 732 H LYS 67 H LYS 67 5.208 -9.267 -2.176 733 HA LYS 67 HA LYS 67 7.286 -9.884 -4.043 734 HB2 LYS 67 2HB LYS 67 8.239 -9.258 -1.578 735 HB3 LYS 67 1HB LYS 67 7.971 -10.984 -1.388 736 HG2 LYS 67 2HG LYS 67 9.244 -10.944 -3.767 737 HG3 LYS 67 1HG LYS 67 9.966 -9.541 -2.984 738 HD2 LYS 67 2HD LYS 67 9.957 -11.468 -1.002 739 HD3 LYS 67 1HD LYS 67 10.359 -12.368 -2.464 740 HE2 LYS 67 2HE LYS 67 11.751 -9.795 -2.122 741 HE3 LYS 67 1HE LYS 67 12.166 -11.047 -0.955 742 HZ1 LYS 67 3HZ LYS 67 12.133 -11.670 -3.834 743 HZ2 LYS 67 1HZ LYS 67 12.996 -12.422 -2.581 744 HZ3 LYS 67 2HZ LYS 67 13.476 -10.896 -3.144 745 H SER 68 H SER 68 6.535 -11.694 -1.121 746 HA SER 68 HA SER 68 5.807 -13.988 -2.705 747 HB2 SER 68 2HB SER 68 5.395 -14.444 0.071 748 HB3 SER 68 1HB SER 68 6.739 -14.995 -0.929 749 HG SER 68 HG SER 68 7.740 -13.758 0.518 750 H GLY 69 H GLY 69 3.917 -11.820 -2.922 751 HA2 GLY 69 1HA GLY 69 1.632 -11.542 -2.932 752 HA3 GLY 69 2HA GLY 69 1.493 -13.192 -2.335 753 H MET 70 H MET 70 3.365 -10.779 -0.694 754 HA MET 70 HA MET 70 1.384 -10.768 1.478 755 HB2 MET 70 2HB MET 70 4.098 -11.583 1.503 756 HB3 MET 70 1HB MET 70 4.013 -10.073 2.400 757 HG2 MET 70 2HG MET 70 3.453 -11.338 4.139 758 HG3 MET 70 1HG MET 70 1.866 -11.446 3.381 759 HE1 MET 70 3HE MET 70 5.151 -14.488 3.790 760 HE2 MET 70 1HE MET 70 5.297 -13.717 2.210 761 HE3 MET 70 2HE MET 70 5.308 -12.734 3.675 762 H ILE 71 H ILE 71 0.917 -8.854 2.462 763 HA ILE 71 HA ILE 71 1.877 -6.437 1.102 764 HB ILE 71 HB ILE 71 -0.143 -5.646 2.831 765 HG12 ILE 71 2HG1 ILE 71 -2.025 -7.227 2.010 766 HG13 ILE 71 1HG1 ILE 71 -0.729 -8.376 1.701 767 HG21 ILE 71 1HG2 ILE 71 0.483 -5.379 0.210 768 HG22 ILE 71 2HG2 ILE 71 -1.005 -6.322 0.112 769 HG23 ILE 71 3HG2 ILE 71 -0.997 -4.773 0.955 770 HD11 ILE 71 3HD1 ILE 71 -0.062 -8.003 4.140 771 HD12 ILE 71 1HD1 ILE 71 -1.653 -7.258 4.319 772 HD13 ILE 71 2HD1 ILE 71 -1.521 -8.942 3.813 773 H LEU 72 H LEU 72 3.601 -5.615 2.088 774 HA LEU 72 HA LEU 72 3.484 -5.255 5.003 775 HB2 LEU 72 2HB LEU 72 5.760 -6.021 3.210 776 HB3 LEU 72 1HB LEU 72 6.078 -5.150 4.697 777 HG LEU 72 HG LEU 72 6.347 -7.278 5.433 778 HD11 LEU 72 1HD1 LEU 72 4.041 -8.135 6.326 779 HD12 LEU 72 2HD1 LEU 72 4.788 -6.678 6.986 780 HD13 LEU 72 3HD1 LEU 72 3.494 -6.544 5.794 781 HD21 LEU 72 3HD2 LEU 72 5.962 -8.378 3.336 782 HD22 LEU 72 1HD2 LEU 72 5.095 -9.231 4.616 783 HD23 LEU 72 2HD2 LEU 72 4.219 -8.169 3.514 784 H CYS 73 H CYS 73 4.495 -3.310 5.797 785 HA CYS 73 HA CYS 73 4.041 -1.068 4.096 786 HB2 CYS 73 2HB CYS 73 4.701 0.283 6.048 787 HB3 CYS 73 1HB CYS 73 3.511 -0.936 6.481 788 H ARG 74 H ARG 74 5.839 0.734 4.223 789 HA ARG 74 HA ARG 74 7.871 -0.074 2.486 790 HB2 ARG 74 2HB ARG 74 8.105 2.370 4.227 791 HB3 ARG 74 1HB ARG 74 8.690 2.135 2.586 792 HG2 ARG 74 2HG ARG 74 5.814 1.836 2.752 793 HG3 ARG 74 1HG ARG 74 6.351 3.406 3.352 794 HD2 ARG 74 2HD ARG 74 7.369 2.315 0.753 795 HD3 ARG 74 1HD ARG 74 5.818 3.149 0.838 796 HE ARG 74 HE ARG 74 7.666 4.802 2.088 797 HH11 ARG 74 2HH1 ARG 74 7.127 3.479 -1.121 798 HH12 ARG 74 1HH1 ARG 74 7.961 4.779 -1.927 799 HH21 ARG 74 2HH2 ARG 74 8.718 6.513 1.028 800 HH22 ARG 74 1HH2 ARG 74 8.851 6.509 -0.703 801 H ASN 75 H ASN 75 7.869 0.338 5.975 802 HA ASN 75 HA ASN 75 10.705 -0.159 6.207 803 HB2 ASN 75 2HB ASN 75 10.383 0.954 8.122 804 HB3 ASN 75 1HB ASN 75 8.646 0.937 7.860 805 HD21 ASN 75 1HD2 ASN 75 7.418 -0.820 8.744 806 HD22 ASN 75 2HD2 ASN 75 8.012 -1.688 10.123 807 H ASP 76 H ASP 76 7.758 -1.966 6.346 808 HA ASP 76 HA ASP 76 8.710 -4.137 7.911 809 HB2 ASP 76 2HB ASP 76 6.264 -3.348 6.717 810 HB3 ASP 76 1HB ASP 76 6.622 -4.983 6.171 811 H TYR 77 H TYR 77 8.172 -3.749 4.410 812 HA TYR 77 HA TYR 77 8.783 -6.361 3.684 813 HB2 TYR 77 2HB TYR 77 7.758 -4.915 2.062 814 HB3 TYR 77 1HB TYR 77 9.122 -3.799 2.115 815 HD1 TYR 77 2HD TYR 77 8.525 -7.443 1.504 816 HD2 TYR 77 1HD TYR 77 10.616 -3.914 0.367 817 HE1 TYR 77 2HE TYR 77 9.642 -8.691 -0.290 818 HE2 TYR 77 1HE TYR 77 11.747 -5.156 -1.428 819 HH TYR 77 HH TYR 77 12.364 -7.719 -1.768 820 H ILE 78 H ILE 78 10.930 -3.571 4.013 821 HA ILE 78 HA ILE 78 13.267 -4.787 3.036 822 HB ILE 78 HB ILE 78 12.757 -2.445 4.847 823 HG12 ILE 78 2HG1 ILE 78 12.298 -2.189 2.461 824 HG13 ILE 78 1HG1 ILE 78 13.671 -1.195 2.934 825 HG21 ILE 78 1HG2 ILE 78 15.517 -3.142 3.897 826 HG22 ILE 78 2HG2 ILE 78 15.029 -1.947 5.099 827 HG23 ILE 78 3HG2 ILE 78 14.910 -3.666 5.466 828 HD11 ILE 78 3HD1 ILE 78 13.638 -2.772 0.763 829 HD12 ILE 78 1HD1 ILE 78 15.107 -2.339 1.635 830 HD13 ILE 78 2HD1 ILE 78 14.324 -3.887 1.943 831 H ARG 79 H ARG 79 11.848 -4.648 6.248 832 HA ARG 79 HA ARG 79 14.069 -5.914 7.547 833 HB2 ARG 79 2HB ARG 79 12.789 -4.457 8.887 834 HB3 ARG 79 1HB ARG 79 11.274 -5.183 8.376 835 HG2 ARG 79 2HG ARG 79 12.025 -7.278 9.582 836 HG3 ARG 79 1HG ARG 79 13.313 -6.291 10.278 837 HD2 ARG 79 2HD ARG 79 11.592 -6.232 11.871 838 HD3 ARG 79 1HD ARG 79 11.462 -4.696 11.013 839 HE ARG 79 HE ARG 79 9.584 -5.640 9.793 840 HH11 ARG 79 2HH1 ARG 79 10.623 -7.374 12.653 841 HH12 ARG 79 1HH1 ARG 79 9.075 -8.126 12.912 842 HH21 ARG 79 2HH2 ARG 79 7.550 -6.596 10.131 843 HH22 ARG 79 1HH2 ARG 79 7.319 -7.656 11.498 844 H LEU 80 H LEU 80 10.919 -6.956 6.342 845 HA LEU 80 HA LEU 80 11.072 -9.592 7.412 846 HB2 LEU 80 2HB LEU 80 9.151 -7.998 6.125 847 HB3 LEU 80 1HB LEU 80 9.371 -9.396 5.087 848 HG LEU 80 HG LEU 80 9.125 -10.633 7.474 849 HD11 LEU 80 1HD1 LEU 80 8.325 -9.309 9.060 850 HD12 LEU 80 2HD1 LEU 80 8.288 -7.944 7.943 851 HD13 LEU 80 3HD1 LEU 80 6.897 -9.020 8.066 852 HD21 LEU 80 3HD2 LEU 80 6.491 -10.225 6.626 853 HD22 LEU 80 1HD2 LEU 80 7.492 -10.104 5.177 854 HD23 LEU 80 2HD2 LEU 80 7.571 -11.550 6.185 855 H PHE 81 H PHE 81 11.384 -8.358 4.079 856 HA PHE 81 HA PHE 81 12.903 -10.802 3.427 857 HB2 PHE 81 2HB PHE 81 10.920 -9.256 1.748 858 HB3 PHE 81 1HB PHE 81 12.052 -10.408 1.050 859 HD1 PHE 81 2HD PHE 81 9.189 -10.029 3.332 860 HD2 PHE 81 1HD PHE 81 11.655 -12.734 1.170 861 HE1 PHE 81 2HE PHE 81 7.597 -11.844 3.797 862 HE2 PHE 81 1HE PHE 81 10.066 -14.557 1.625 863 HZ PHE 81 HZ PHE 81 8.038 -14.114 2.945 864 H GLY 82 H GLY 82 12.306 -7.841 1.606 865 HA2 GLY 82 1HA GLY 82 13.797 -6.167 0.982 866 HA3 GLY 82 2HA GLY 82 15.072 -7.014 1.853 Start of MODEL 17 1 H SER 641 1H SER 641 -1.522 18.917 19.603 2 HA SER 641 HA SER 641 -2.681 20.995 19.089 3 HB2 SER 641 2HB SER 641 0.181 21.288 18.246 4 HB3 SER 641 1HB SER 641 -0.760 22.285 19.356 5 HG SER 641 HG SER 641 -0.220 21.020 20.950 6 H LEU 642 H LEU 642 -3.107 22.664 17.616 7 HA LEU 642 HA LEU 642 -3.241 21.802 14.870 8 HB2 LEU 642 2HB LEU 642 -4.123 24.284 14.665 9 HB3 LEU 642 1HB LEU 642 -5.121 23.000 15.313 10 HG LEU 642 HG LEU 642 -3.678 24.162 17.477 11 HD11 LEU 642 1HD1 LEU 642 -3.392 26.260 16.722 12 HD12 LEU 642 2HD1 LEU 642 -4.564 26.062 15.420 13 HD13 LEU 642 3HD1 LEU 642 -5.117 26.415 17.058 14 HD21 LEU 642 3HD2 LEU 642 -5.690 24.015 18.463 15 HD22 LEU 642 1HD2 LEU 642 -6.518 24.815 17.126 16 HD23 LEU 642 2HD2 LEU 642 -6.125 23.099 17.018 17 H GLN 643 H GLN 643 -1.386 24.125 16.733 18 HA GLN 643 HA GLN 643 -0.087 25.201 14.377 19 HB2 GLN 643 2HB GLN 643 1.174 25.845 16.930 20 HB3 GLN 643 1HB GLN 643 0.534 26.916 15.696 21 HG2 GLN 643 2HG GLN 643 -0.802 27.442 17.470 22 HG3 GLN 643 1HG GLN 643 -1.776 26.201 16.682 23 HE21 GLN 643 1HE2 GLN 643 0.095 27.039 19.454 24 HE22 GLN 643 2HE2 GLN 643 -0.271 25.630 20.392 25 H ASN 644 H ASN 644 0.882 23.307 13.544 26 HA ASN 644 HA ASN 644 3.420 22.705 14.869 27 HB2 ASN 644 2HB ASN 644 2.050 20.849 15.546 28 HB3 ASN 644 1HB ASN 644 1.434 20.634 13.911 29 HD21 ASN 644 1HD2 ASN 644 4.576 20.806 15.577 30 HD22 ASN 644 2HD2 ASN 644 5.288 19.482 14.713 31 H ASN 645 H ASN 645 5.087 22.700 13.497 32 HA ASN 645 HA ASN 645 4.502 22.475 10.616 33 HB2 ASN 645 2HB ASN 645 5.959 24.603 12.100 34 HB3 ASN 645 1HB ASN 645 6.626 24.108 10.550 35 HD21 ASN 645 1HD2 ASN 645 5.759 24.901 8.737 36 HD22 ASN 645 2HD2 ASN 645 4.306 25.855 8.673 37 H GLN 646 H GLN 646 5.981 21.349 9.398 38 HA GLN 646 HA GLN 646 8.183 20.089 10.898 39 HB2 GLN 646 2HB GLN 646 7.875 18.449 8.752 40 HB3 GLN 646 1HB GLN 646 7.128 18.186 10.318 41 HG2 GLN 646 2HG GLN 646 5.467 17.865 8.655 42 HG3 GLN 646 1HG GLN 646 5.108 19.383 9.477 43 HE21 GLN 646 1HE2 GLN 646 4.272 20.731 8.074 44 HE22 GLN 646 2HE2 GLN 646 4.859 21.035 6.469 45 H ASP 647 H ASP 647 7.583 22.412 8.715 46 HA ASP 647 HA ASP 647 9.873 21.812 6.989 47 HB2 ASP 647 2HB ASP 647 8.996 23.800 5.658 48 HB3 ASP 647 1HB ASP 647 7.996 22.354 5.657 49 H VAL 648 H VAL 648 10.556 22.427 9.526 50 HA VAL 648 HA VAL 648 10.989 25.118 10.137 51 HB VAL 648 HB VAL 648 13.014 23.042 10.904 52 HG11 VAL 648 1HG1 VAL 648 11.826 25.490 12.157 53 HG12 VAL 648 2HG1 VAL 648 12.671 24.281 13.126 54 HG13 VAL 648 3HG1 VAL 648 13.518 25.117 11.823 55 HG21 VAL 648 3HG2 VAL 648 10.213 22.705 11.230 56 HG22 VAL 648 1HG2 VAL 648 11.523 21.692 11.837 57 HG23 VAL 648 2HG2 VAL 648 10.918 23.032 12.814 58 H SER 649 H SER 649 13.402 22.817 8.863 59 HA SER 649 HA SER 649 14.440 24.980 7.174 60 HB2 SER 649 2HB SER 649 16.374 23.040 8.364 61 HB3 SER 649 1HB SER 649 16.625 24.718 7.882 62 HG SER 649 HG SER 649 15.518 23.674 10.250 63 H PHE 650 H PHE 650 15.339 24.283 5.191 64 HA PHE 650 HA PHE 650 14.339 21.671 4.352 65 HB2 PHE 650 2HB PHE 650 14.868 22.484 2.046 66 HB3 PHE 650 1HB PHE 650 13.723 23.502 2.909 67 HD1 PHE 650 2HD PHE 650 17.096 23.272 1.518 68 HD2 PHE 650 1HD PHE 650 14.319 25.731 3.603 69 HE1 PHE 650 2HE PHE 650 18.497 25.241 1.059 70 HE2 PHE 650 1HE PHE 650 15.710 27.705 3.141 71 HZ PHE 650 HZ PHE 650 17.804 27.459 1.869 72 H GLU 651 H GLU 651 17.176 23.071 5.419 73 HA GLU 651 HA GLU 651 19.116 21.694 3.892 74 HB2 GLU 651 2HB GLU 651 19.272 22.751 6.718 75 HB3 GLU 651 1HB GLU 651 20.649 22.259 5.739 76 HG2 GLU 651 2HG GLU 651 20.755 24.428 5.223 77 HG3 GLU 651 1HG GLU 651 19.470 24.031 4.082 78 H ASN 652 H ASN 652 17.019 20.675 6.420 79 HA ASN 652 HA ASN 652 18.554 18.482 7.369 80 HB2 ASN 652 2HB ASN 652 16.176 19.675 8.117 81 HB3 ASN 652 1HB ASN 652 15.658 18.103 7.512 82 HD21 ASN 652 1HD2 ASN 652 17.164 16.257 8.321 83 HD22 ASN 652 2HD2 ASN 652 17.518 16.298 10.017 84 H ILE 653 H ILE 653 16.375 18.947 4.691 85 HA ILE 653 HA ILE 653 16.626 16.102 3.994 86 HB ILE 653 HB ILE 653 14.794 17.250 2.229 87 HG12 ILE 653 2HG1 ILE 653 14.801 19.063 4.182 88 HG13 ILE 653 1HG1 ILE 653 13.313 18.588 3.377 89 HG21 ILE 653 1HG2 ILE 653 13.563 15.854 4.436 90 HG22 ILE 653 2HG2 ILE 653 13.754 15.366 2.752 91 HG23 ILE 653 3HG2 ILE 653 15.053 15.071 3.908 92 HD11 ILE 653 3HD1 ILE 653 13.235 18.759 5.893 93 HD12 ILE 653 1HD1 ILE 653 12.643 17.248 5.198 94 HD13 ILE 653 2HD1 ILE 653 14.244 17.314 5.934 95 H GLN 654 H GLN 654 18.773 17.733 3.579 96 HA GLN 654 HA GLN 654 18.787 18.582 0.808 97 HB2 GLN 654 2HB GLN 654 20.705 18.729 3.087 98 HB3 GLN 654 1HB GLN 654 21.354 18.821 1.456 99 HG2 GLN 654 2HG GLN 654 19.448 20.690 2.818 100 HG3 GLN 654 1HG GLN 654 21.024 21.039 2.111 101 HE21 GLN 654 1HE2 GLN 654 17.672 20.917 1.598 102 HE22 GLN 654 2HE2 GLN 654 17.678 21.275 -0.098 103 H TRP 655 H TRP 655 19.364 15.755 2.563 104 HA TRP 655 HA TRP 655 21.204 14.587 0.689 105 HB2 TRP 655 2HB TRP 655 21.075 12.594 2.009 106 HB3 TRP 655 1HB TRP 655 21.165 13.962 3.108 107 HD1 TRP 655 HD TRP 655 18.201 14.776 3.490 108 HE1 TRP 655 1HE TRP 655 16.510 13.176 4.599 109 HE3 TRP 655 3HE TRP 655 20.622 10.350 2.677 110 HZ2 TRP 655 2HZ TRP 655 16.251 10.412 5.070 111 HZ3 TRP 655 3HZ TRP 655 19.590 8.272 3.492 112 HH2 TRP 655 HH TRP 655 17.449 8.302 4.662 113 H SER 656 H SER 656 20.703 12.698 -0.617 114 HA SER 656 HA SER 656 18.249 13.268 -2.045 115 HB2 SER 656 2HB SER 656 20.438 11.324 -2.787 116 HB3 SER 656 1HB SER 656 19.215 12.017 -3.854 117 HG SER 656 HG SER 656 20.304 14.100 -2.858 118 H ILE 657 H ILE 657 16.500 12.342 -1.274 119 HA ILE 657 HA ILE 657 16.420 9.731 -0.120 120 HB ILE 657 HB ILE 657 14.417 11.825 -0.834 121 HG12 ILE 657 2HG1 ILE 657 15.485 11.809 1.362 122 HG13 ILE 657 1HG1 ILE 657 13.757 11.504 1.509 123 HG21 ILE 657 1HG2 ILE 657 12.553 10.295 -0.186 124 HG22 ILE 657 2HG2 ILE 657 13.276 9.942 -1.753 125 HG23 ILE 657 3HG2 ILE 657 13.674 8.945 -0.355 126 HD11 ILE 657 3HD1 ILE 657 16.055 9.722 2.041 127 HD12 ILE 657 1HD1 ILE 657 14.533 9.913 2.916 128 HD13 ILE 657 2HD1 ILE 657 14.577 8.995 1.410 129 H ASP 658 H ASP 658 15.850 7.810 -1.056 130 HA ASP 658 HA ASP 658 16.227 7.494 -3.843 131 HB2 ASP 658 2HB ASP 658 16.709 5.731 -2.136 132 HB3 ASP 658 1HB ASP 658 14.973 5.524 -1.920 133 HA PRO 659 HA PRO 659 11.977 8.444 -4.853 134 HB2 PRO 659 2HB PRO 659 12.643 8.950 -7.515 135 HB3 PRO 659 1HB PRO 659 12.643 10.135 -6.209 136 HG2 PRO 659 2HG PRO 659 14.883 9.162 -7.649 137 HG3 PRO 659 1HG PRO 659 14.898 10.224 -6.233 138 HD2 PRO 659 2HD PRO 659 15.349 7.298 -6.411 139 HD3 PRO 659 1HD PRO 659 15.979 8.472 -5.236 140 H GLY 660 H GLY 660 13.145 5.655 -4.979 141 HA2 GLY 660 1HA GLY 660 11.952 3.713 -5.624 142 HA3 GLY 660 2HA GLY 660 11.215 4.630 -6.933 143 H ALA 661 H ALA 661 14.640 4.658 -6.224 144 HA ALA 661 HA ALA 661 15.308 3.997 -8.919 145 HB1 ALA 661 1HB ALA 661 17.066 5.184 -8.184 146 HB2 ALA 661 2HB ALA 661 16.743 4.787 -6.496 147 HB3 ALA 661 3HB ALA 661 17.635 3.656 -7.513 148 H ASP 662 H ASP 662 15.229 2.290 -5.867 149 HA ASP 662 HA ASP 662 15.338 -0.220 -7.387 150 HB2 ASP 662 2HB ASP 662 17.366 0.346 -5.810 151 HB3 ASP 662 1HB ASP 662 16.250 -0.150 -4.539 152 H LEU 663 H LEU 663 14.336 -2.042 -6.039 153 HA LEU 663 HA LEU 663 12.534 -2.969 -5.023 154 HB2 LEU 663 2HB LEU 663 12.762 -0.401 -3.605 155 HB3 LEU 663 1HB LEU 663 11.148 -1.086 -3.604 156 HG LEU 663 HG LEU 663 12.298 -3.249 -2.778 157 HD11 LEU 663 1HD1 LEU 663 14.339 -1.527 -1.537 158 HD12 LEU 663 2HD1 LEU 663 14.435 -3.210 -2.062 159 HD13 LEU 663 3HD1 LEU 663 14.583 -1.906 -3.242 160 HD21 LEU 663 3HD2 LEU 663 12.529 -1.221 -0.663 161 HD22 LEU 663 1HD2 LEU 663 10.994 -1.238 -1.531 162 HD23 LEU 663 2HD2 LEU 663 11.567 -2.697 -0.724 163 H SER 664 H SER 664 12.516 -0.883 -7.404 164 HA SER 664 HA SER 664 9.855 -0.012 -7.684 165 HB2 SER 664 2HB SER 664 11.285 -0.520 -10.186 166 HB3 SER 664 1HB SER 664 10.694 1.003 -9.517 167 HG SER 664 HG SER 664 12.618 1.412 -8.780 168 H GLN 665 H GLN 665 11.523 -2.980 -8.604 169 HA GLN 665 HA GLN 665 9.239 -3.967 -10.096 170 HB2 GLN 665 2HB GLN 665 11.789 -5.368 -9.270 171 HB3 GLN 665 1HB GLN 665 10.593 -5.997 -10.395 172 HG2 GLN 665 2HG GLN 665 12.277 -3.531 -10.787 173 HG3 GLN 665 1HG GLN 665 12.513 -5.092 -11.569 174 HE21 GLN 665 1HE2 GLN 665 11.819 -2.267 -12.473 175 HE22 GLN 665 2HE2 GLN 665 10.478 -2.506 -13.553 176 H TYR 666 H TYR 666 10.064 -3.744 -6.881 177 HA TYR 666 HA TYR 666 8.814 -6.260 -6.082 178 HB2 TYR 666 2HB TYR 666 10.098 -4.085 -4.419 179 HB3 TYR 666 1HB TYR 666 9.463 -5.599 -3.786 180 HD1 TYR 666 1HD TYR 666 10.640 -7.047 -6.450 181 HD2 TYR 666 2HD TYR 666 12.237 -4.661 -3.310 182 HE1 TYR 666 1HE TYR 666 12.841 -8.095 -6.778 183 HE2 TYR 666 2HE TYR 666 14.441 -5.701 -3.630 184 HH TYR 666 HH TYR 666 15.266 -8.024 -4.604 185 H LYS 667 H LYS 667 7.990 -3.011 -6.584 186 HA LYS 667 HA LYS 667 6.061 -2.781 -4.485 187 HB2 LYS 667 2HB LYS 667 5.772 -0.598 -5.176 188 HB3 LYS 667 1HB LYS 667 7.417 -0.917 -5.689 189 HG2 LYS 667 2HG LYS 667 6.889 -0.334 -7.754 190 HG3 LYS 667 1HG LYS 667 5.702 -1.639 -7.826 191 HD2 LYS 667 2HD LYS 667 4.254 0.101 -6.446 192 HD3 LYS 667 1HD LYS 667 5.324 1.258 -7.242 193 HE2 LYS 667 2HE LYS 667 4.627 -0.375 -9.312 194 HE3 LYS 667 1HE LYS 667 3.153 -0.384 -8.345 195 HZ1 LYS 667 3HZ LYS 667 2.659 1.633 -9.081 196 HZ2 LYS 667 1HZ LYS 667 4.011 1.582 -10.107 197 HZ3 LYS 667 2HZ LYS 667 4.153 2.255 -8.559 198 H MET 668 H MET 668 3.874 -2.888 -4.581 199 HA MET 668 HA MET 668 2.679 -3.874 -7.085 200 HB2 MET 668 2HB MET 668 0.684 -4.394 -5.638 201 HB3 MET 668 1HB MET 668 2.124 -5.317 -5.238 202 HG2 MET 668 2HG MET 668 2.567 -3.849 -3.358 203 HG3 MET 668 1HG MET 668 1.161 -2.870 -3.771 204 HE1 MET 668 3HE MET 668 0.862 -7.272 -3.152 205 HE2 MET 668 1HE MET 668 2.321 -6.345 -3.500 206 HE3 MET 668 2HE MET 668 1.863 -6.674 -1.831 207 H ASP 669 H ASP 669 0.699 -2.828 -7.799 208 HA ASP 669 HA ASP 669 0.925 0.039 -7.360 209 HB2 ASP 669 2HB ASP 669 0.593 -1.397 -9.645 210 HB3 ASP 669 1HB ASP 669 -1.070 -0.929 -9.299 211 H VAL 670 H VAL 670 -0.310 1.040 -5.962 212 HA VAL 670 HA VAL 670 -2.648 -0.271 -4.870 213 HB VAL 670 HB VAL 670 -1.775 2.524 -4.183 214 HG11 VAL 670 1HG1 VAL 670 -3.111 2.324 -2.378 215 HG12 VAL 670 2HG1 VAL 670 -3.900 1.080 -3.346 216 HG13 VAL 670 3HG1 VAL 670 -2.705 0.627 -2.131 217 HG21 VAL 670 3HG2 VAL 670 -0.271 1.640 -2.495 218 HG22 VAL 670 1HG2 VAL 670 -0.637 -0.009 -3.005 219 HG23 VAL 670 2HG2 VAL 670 0.219 1.080 -4.095 220 H THR 671 H THR 671 -4.219 -0.263 -6.402 221 HA THR 671 HA THR 671 -4.993 2.287 -7.614 222 HB THR 671 HB THR 671 -6.513 -0.163 -8.308 223 HG1 THR 671 1HG THR 671 -3.756 -0.075 -8.352 224 HG21 THR 671 3HG2 THR 671 -5.870 2.379 -9.441 225 HG22 THR 671 1HG2 THR 671 -6.994 1.160 -10.038 226 HG23 THR 671 2HG2 THR 671 -5.301 1.118 -10.534 227 H VAL 672 H VAL 672 -7.041 3.190 -7.311 228 HA VAL 672 HA VAL 672 -8.646 1.956 -5.162 229 HB VAL 672 HB VAL 672 -8.686 4.912 -5.686 230 HG11 VAL 672 1HG1 VAL 672 -8.938 4.228 -2.955 231 HG12 VAL 672 2HG1 VAL 672 -10.175 4.855 -4.044 232 HG13 VAL 672 3HG1 VAL 672 -9.950 3.114 -3.872 233 HG21 VAL 672 3HG2 VAL 672 -6.347 4.451 -5.318 234 HG22 VAL 672 1HG2 VAL 672 -7.021 5.202 -3.870 235 HG23 VAL 672 2HG2 VAL 672 -6.725 3.463 -3.907 236 H ILE 673 H ILE 673 -10.724 1.550 -5.634 237 HA ILE 673 HA ILE 673 -11.629 2.134 -8.324 238 HB ILE 673 HB ILE 673 -12.725 0.436 -6.099 239 HG12 ILE 673 2HG1 ILE 673 -12.643 -1.082 -8.363 240 HG13 ILE 673 1HG1 ILE 673 -11.321 0.039 -8.670 241 HG21 ILE 673 1HG2 ILE 673 -14.413 1.843 -7.692 242 HG22 ILE 673 2HG2 ILE 673 -14.184 0.382 -8.654 243 HG23 ILE 673 3HG2 ILE 673 -14.785 0.264 -7.000 244 HD11 ILE 673 3HD1 ILE 673 -10.008 -0.887 -7.102 245 HD12 ILE 673 1HD1 ILE 673 -11.348 -1.174 -5.992 246 HD13 ILE 673 2HD1 ILE 673 -11.060 -2.282 -7.336 247 H ASP 674 H ASP 674 -12.826 3.786 -8.863 248 HA ASP 674 HA ASP 674 -13.757 5.642 -6.872 249 HB2 ASP 674 2HB ASP 674 -12.797 6.073 -9.273 250 HB3 ASP 674 1HB ASP 674 -14.461 5.812 -9.780 251 H THR 675 H THR 675 -15.276 4.112 -5.832 252 HA THR 675 HA THR 675 -17.711 3.531 -7.300 253 HB THR 675 HB THR 675 -18.022 3.018 -4.511 254 HG1 THR 675 1HG THR 675 -16.176 2.111 -3.934 255 HG21 THR 675 3HG2 THR 675 -17.476 1.123 -6.801 256 HG22 THR 675 1HG2 THR 675 -19.055 1.784 -6.382 257 HG23 THR 675 2HG2 THR 675 -18.221 0.714 -5.257 258 H LYS 676 H LYS 676 -17.877 6.006 -7.575 259 HA LYS 676 HA LYS 676 -19.034 7.349 -5.278 260 HB2 LYS 676 2HB LYS 676 -19.025 9.331 -6.591 261 HB3 LYS 676 1HB LYS 676 -17.515 8.500 -6.932 262 HG2 LYS 676 2HG LYS 676 -18.429 7.669 -9.030 263 HG3 LYS 676 1HG LYS 676 -19.968 8.465 -8.682 264 HD2 LYS 676 2HD LYS 676 -18.737 10.637 -8.605 265 HD3 LYS 676 1HD LYS 676 -17.293 9.778 -9.154 266 HE2 LYS 676 2HE LYS 676 -19.745 9.351 -10.737 267 HE3 LYS 676 1HE LYS 676 -19.049 10.970 -10.812 268 HZ1 LYS 676 3HZ LYS 676 -18.218 9.430 -12.539 269 HZ2 LYS 676 1HZ LYS 676 -17.516 8.476 -11.322 270 HZ3 LYS 676 2HZ LYS 676 -16.986 10.071 -11.564 271 H ASP 677 H ASP 677 -20.128 5.233 -7.554 272 HA ASP 677 HA ASP 677 -22.741 6.376 -7.968 273 HB2 ASP 677 2HB ASP 677 -21.487 4.736 -9.538 274 HB3 ASP 677 1HB ASP 677 -22.068 3.485 -8.441 275 H GLY 678 H GLY 678 -23.521 6.713 -5.927 276 HA2 GLY 678 1HA GLY 678 -25.178 4.991 -4.693 277 HA3 GLY 678 2HA GLY 678 -23.619 4.570 -3.987 278 H SER 679 H SER 679 -22.572 7.252 -4.154 279 HA SER 679 HA SER 679 -23.754 8.414 -1.814 280 HB2 SER 679 2HB SER 679 -21.933 10.194 -3.127 281 HB3 SER 679 1HB SER 679 -21.685 9.270 -1.642 282 HG SER 679 HG SER 679 -20.141 8.719 -3.242 283 H GLN 680 H GLN 680 -24.188 8.677 -5.187 284 HA GLN 680 HA GLN 680 -25.468 11.289 -5.004 285 HB2 GLN 680 2HB GLN 680 -25.695 11.063 -7.492 286 HB3 GLN 680 1HB GLN 680 -24.041 11.077 -6.902 287 HG2 GLN 680 2HG GLN 680 -23.648 9.185 -7.975 288 HG3 GLN 680 1HG GLN 680 -24.876 8.375 -7.002 289 HE21 GLN 680 1HE2 GLN 680 -24.560 7.395 -9.434 290 HE22 GLN 680 2HE2 GLN 680 -25.843 7.873 -10.490 291 H SER 681 H SER 681 -27.540 11.419 -4.554 292 HA SER 681 HA SER 681 -29.269 9.099 -4.988 293 HB2 SER 681 2HB SER 681 -30.616 11.179 -3.590 294 HB3 SER 681 1HB SER 681 -30.036 9.639 -2.951 295 HG SER 681 HG SER 681 -29.178 11.704 -2.002 296 H LYS 682 H LYS 682 -28.403 11.003 -7.101 297 HA LYS 682 HA LYS 682 -30.924 12.323 -7.783 298 HB2 LYS 682 2HB LYS 682 -28.239 13.051 -8.094 299 HB3 LYS 682 1HB LYS 682 -28.799 12.675 -9.716 300 HG2 LYS 682 2HG LYS 682 -30.354 14.374 -9.724 301 HG3 LYS 682 1HG LYS 682 -30.432 14.453 -7.962 302 HD2 LYS 682 2HD LYS 682 -28.669 15.858 -7.825 303 HD3 LYS 682 1HD LYS 682 -27.795 15.049 -9.128 304 HE2 LYS 682 2HE LYS 682 -28.619 16.428 -10.706 305 HE3 LYS 682 1HE LYS 682 -30.214 16.498 -9.954 306 HZ1 LYS 682 3HZ LYS 682 -27.927 17.865 -8.694 307 HZ2 LYS 682 1HZ LYS 682 -29.584 18.212 -8.572 308 HZ3 LYS 682 2HZ LYS 682 -28.738 18.597 -9.989 309 H LEU 683 H LEU 683 -29.641 9.379 -8.144 310 HA LEU 683 HA LEU 683 -30.377 9.007 -10.941 311 HB2 LEU 683 2HB LEU 683 -28.399 7.898 -9.323 312 HB3 LEU 683 1HB LEU 683 -29.578 6.615 -9.491 313 HG LEU 683 HG LEU 683 -27.521 7.166 -11.236 314 HD11 LEU 683 1HD1 LEU 683 -28.423 5.409 -12.547 315 HD12 LEU 683 2HD1 LEU 683 -28.842 5.067 -10.870 316 HD13 LEU 683 3HD1 LEU 683 -30.057 5.722 -11.965 317 HD21 LEU 683 3HD2 LEU 683 -28.442 7.966 -13.283 318 HD22 LEU 683 1HD2 LEU 683 -30.068 8.023 -12.601 319 HD23 LEU 683 2HD2 LEU 683 -28.834 9.149 -12.035 320 H GLY 684 H GLY 684 -32.648 9.495 -10.349 321 HA2 GLY 684 1HA GLY 684 -34.192 7.837 -8.685 322 HA3 GLY 684 2HA GLY 684 -34.811 8.792 -10.026 323 H GLY 685 H GLY 685 -33.827 7.740 -12.216 324 HA2 GLY 685 1HA GLY 685 -35.086 5.153 -12.385 325 HA3 GLY 685 2HA GLY 685 -34.353 6.053 -13.707 326 H GLY 901 H GLY 901 -33.938 3.596 -11.357 327 HA2 GLY 901 1HA GLY 901 -31.080 3.385 -11.595 328 HA3 GLY 901 2HA GLY 901 -32.156 2.228 -10.823 329 H GLY 902 H GLY 902 -33.740 2.373 -13.476 330 HA2 GLY 902 1HA GLY 902 -31.930 1.169 -15.379 331 HA3 GLY 902 2HA GLY 902 -33.082 0.044 -14.672 332 H SER 903 H SER 903 -33.908 -0.244 -16.816 333 HA SER 903 HA SER 903 -35.165 1.879 -18.225 334 HB2 SER 903 2HB SER 903 -36.345 -0.563 -18.981 335 HB3 SER 903 1HB SER 903 -35.018 0.276 -19.787 336 HG SER 903 HG SER 903 -34.546 -1.932 -19.122 337 H GLY 904 H GLY 904 -36.222 -0.508 -15.869 338 HA2 GLY 904 1HA GLY 904 -38.055 -0.146 -14.397 339 HA3 GLY 904 2HA GLY 904 -38.758 0.944 -15.585 340 H GLY 905 H GLY 905 -37.599 -2.413 -15.617 341 HA2 GLY 905 1HA GLY 905 -40.264 -3.332 -16.371 342 HA3 GLY 905 2HA GLY 905 -38.996 -3.556 -17.568 343 H HIS 906 H HIS 906 -36.925 -4.064 -15.582 344 HA HIS 906 HA HIS 906 -37.834 -6.598 -14.419 345 HB2 HIS 906 2HB HIS 906 -36.697 -6.974 -16.648 346 HB3 HIS 906 1HB HIS 906 -35.225 -6.326 -15.929 347 HD1 HIS 906 1HD HIS 906 -33.697 -8.196 -15.280 348 HD2 HIS 906 2HD HIS 906 -37.699 -9.183 -14.743 349 HE1 HIS 906 1HE HIS 906 -33.729 -10.540 -14.337 350 H MET 907 H MET 907 -37.672 -6.058 -12.316 351 HA MET 907 HA MET 907 -35.201 -4.831 -11.338 352 HB2 MET 907 2HB MET 907 -36.349 -4.441 -9.284 353 HB3 MET 907 1HB MET 907 -37.462 -4.014 -10.575 354 HG2 MET 907 2HG MET 907 -38.963 -5.311 -9.602 355 HG3 MET 907 1HG MET 907 -37.977 -6.698 -10.058 356 HE1 MET 907 3HE MET 907 -38.410 -8.235 -6.899 357 HE2 MET 907 1HE MET 907 -38.368 -8.236 -8.661 358 HE3 MET 907 2HE MET 907 -36.868 -8.364 -7.742 359 H GLY 908 H GLY 908 -34.552 -5.821 -9.057 360 HA2 GLY 908 1HA GLY 908 -34.517 -7.967 -7.830 361 HA3 GLY 908 2HA GLY 908 -34.467 -8.758 -9.400 362 H SER 909 H SER 909 -32.676 -6.325 -7.526 363 HA SER 909 HA SER 909 -30.231 -6.816 -8.901 364 HB2 SER 909 2HB SER 909 -30.285 -5.557 -6.188 365 HB3 SER 909 1HB SER 909 -29.350 -5.105 -7.613 366 HG SER 909 HG SER 909 -30.942 -3.888 -8.285 367 H GLY 910 H GLY 910 -29.503 -8.870 -8.757 368 HA2 GLY 910 1HA GLY 910 -29.354 -10.151 -6.127 369 HA3 GLY 910 2HA GLY 910 -29.121 -10.942 -7.678 370 H GLY 911 H GLY 911 -27.253 -11.785 -6.284 371 HA2 GLY 911 1HA GLY 911 -24.953 -11.887 -6.107 372 HA3 GLY 911 2HA GLY 911 -24.860 -10.433 -7.095 373 H LEU 18 H LEU 18 -26.372 -11.098 -3.961 374 HA LEU 18 HA LEU 18 -25.582 -8.572 -2.898 375 HB2 LEU 18 2HB LEU 18 -27.182 -10.878 -2.018 376 HB3 LEU 18 1HB LEU 18 -26.373 -10.013 -0.725 377 HG LEU 18 HG LEU 18 -27.554 -8.029 -2.318 378 HD11 LEU 18 1HD1 LEU 18 -29.996 -9.036 -1.858 379 HD12 LEU 18 2HD1 LEU 18 -29.163 -9.178 -3.405 380 HD13 LEU 18 3HD1 LEU 18 -29.133 -10.520 -2.261 381 HD21 LEU 18 3HD2 LEU 18 -28.855 -7.595 -0.330 382 HD22 LEU 18 1HD2 LEU 18 -28.524 -9.218 0.278 383 HD23 LEU 18 2HD2 LEU 18 -27.213 -8.048 0.128 384 H SER 19 H SER 19 -23.767 -11.192 -3.459 385 HA SER 19 HA SER 19 -22.229 -11.262 -1.017 386 HB2 SER 19 2HB SER 19 -20.803 -12.507 -3.101 387 HB3 SER 19 1HB SER 19 -21.803 -13.299 -1.878 388 HG SER 19 HG SER 19 -22.257 -13.007 -4.527 389 H TRP 20 H TRP 20 -22.229 -9.676 -4.080 390 HA TRP 20 HA TRP 20 -20.779 -8.366 -5.229 391 HB2 TRP 20 2HB TRP 20 -19.627 -7.278 -2.709 392 HB3 TRP 20 1HB TRP 20 -20.135 -6.435 -4.162 393 HD1 TRP 20 HD TRP 20 -23.126 -6.909 -4.389 394 HE1 TRP 20 1HE TRP 20 -24.772 -6.174 -2.551 395 HE3 TRP 20 3HE TRP 20 -19.884 -6.638 -0.447 396 HZ2 TRP 20 2HZ TRP 20 -24.708 -5.572 0.200 397 HZ3 TRP 20 3HZ TRP 20 -20.758 -5.977 1.757 398 HH2 TRP 20 HH TRP 20 -23.120 -5.455 2.067 399 H LYS 21 H LYS 21 -18.522 -8.227 -2.638 400 HA LYS 21 HA LYS 21 -16.748 -10.138 -3.956 401 HB2 LYS 21 2HB LYS 21 -16.454 -7.290 -4.037 402 HB3 LYS 21 1HB LYS 21 -15.139 -7.972 -3.092 403 HG2 LYS 21 2HG LYS 21 -14.239 -8.011 -5.192 404 HG3 LYS 21 1HG LYS 21 -14.946 -9.625 -5.107 405 HD2 LYS 21 2HD LYS 21 -17.044 -8.194 -6.050 406 HD3 LYS 21 1HD LYS 21 -15.693 -7.310 -6.765 407 HE2 LYS 21 2HE LYS 21 -15.662 -8.863 -8.358 408 HE3 LYS 21 1HE LYS 21 -15.041 -9.978 -7.142 409 HZ1 LYS 21 3HZ LYS 21 -17.623 -10.175 -6.636 410 HZ2 LYS 21 1HZ LYS 21 -16.848 -11.139 -7.797 411 HZ3 LYS 21 2HZ LYS 21 -17.720 -9.767 -8.278 412 H ARG 22 H ARG 22 -15.522 -11.277 -2.567 413 HA ARG 22 HA ARG 22 -15.771 -10.705 0.286 414 HB2 ARG 22 2HB ARG 22 -15.721 -13.093 -1.256 415 HB3 ARG 22 1HB ARG 22 -14.272 -13.088 -0.257 416 HG2 ARG 22 2HG ARG 22 -15.918 -14.197 0.995 417 HG3 ARG 22 1HG ARG 22 -15.778 -12.584 1.698 418 HD2 ARG 22 2HD ARG 22 -17.710 -12.006 0.048 419 HD3 ARG 22 1HD ARG 22 -17.975 -13.750 0.041 420 HE ARG 22 HE ARG 22 -18.098 -12.051 2.448 421 HH11 ARG 22 2HH1 ARG 22 -19.091 -14.853 0.617 422 HH12 ARG 22 1HH1 ARG 22 -20.220 -15.405 1.819 423 HH21 ARG 22 2HH2 ARG 22 -19.563 -12.769 4.052 424 HH22 ARG 22 1HH2 ARG 22 -20.494 -14.214 3.768 425 H CYS 23 H CYS 23 -14.070 -9.985 1.462 426 HA CYS 23 HA CYS 23 -11.769 -9.161 -0.054 427 HB2 CYS 23 2HB CYS 23 -11.199 -7.790 1.816 428 HB3 CYS 23 1HB CYS 23 -12.916 -7.633 1.506 429 H ALA 24 H ALA 24 -9.563 -9.443 0.724 430 HA ALA 24 HA ALA 24 -9.210 -12.301 1.082 431 HB1 ALA 24 1HB ALA 24 -6.952 -11.939 0.282 432 HB2 ALA 24 2HB ALA 24 -8.114 -11.143 -0.781 433 HB3 ALA 24 3HB ALA 24 -7.180 -10.192 0.372 434 H GLY 25 H GLY 25 -8.749 -9.424 2.949 435 HA2 GLY 25 1HA GLY 25 -6.796 -10.628 4.717 436 HA3 GLY 25 2HA GLY 25 -7.562 -9.056 4.913 437 H CYS 26 H CYS 26 -9.719 -8.986 5.736 438 HA CYS 26 HA CYS 26 -10.214 -10.587 7.954 439 HB2 CYS 26 2HB CYS 26 -12.555 -9.320 6.654 440 HB3 CYS 26 1HB CYS 26 -11.993 -9.213 8.320 441 H GLY 27 H GLY 27 -11.848 -10.610 4.793 442 HA2 GLY 27 1HA GLY 27 -12.398 -12.649 3.674 443 HA3 GLY 27 2HA GLY 27 -12.451 -13.454 5.237 444 H GLY 28 H GLY 28 -13.969 -10.426 4.187 445 HA2 GLY 28 1HA GLY 28 -16.598 -11.733 4.476 446 HA3 GLY 28 2HA GLY 28 -16.268 -10.233 5.338 447 H LYS 29 H LYS 29 -18.370 -10.121 3.689 448 HA LYS 29 HA LYS 29 -17.645 -9.326 1.039 449 HB2 LYS 29 2HB LYS 29 -19.980 -8.432 0.930 450 HB3 LYS 29 1HB LYS 29 -19.876 -10.129 1.373 451 HG2 LYS 29 2HG LYS 29 -19.921 -8.995 3.823 452 HG3 LYS 29 1HG LYS 29 -20.871 -7.822 2.902 453 HD2 LYS 29 2HD LYS 29 -21.386 -10.796 2.933 454 HD3 LYS 29 1HD LYS 29 -22.240 -9.624 3.940 455 HE2 LYS 29 2HE LYS 29 -22.585 -8.473 1.553 456 HE3 LYS 29 1HE LYS 29 -22.442 -10.151 1.035 457 HZ1 LYS 29 3HZ LYS 29 -24.531 -10.466 1.639 458 HZ2 LYS 29 1HZ LYS 29 -24.656 -8.861 2.169 459 HZ3 LYS 29 2HZ LYS 29 -24.153 -10.072 3.241 460 H ILE 30 H ILE 30 -16.909 -7.420 0.352 461 HA ILE 30 HA ILE 30 -16.060 -5.495 2.240 462 HB ILE 30 HB ILE 30 -16.190 -5.342 -0.772 463 HG12 ILE 30 2HG1 ILE 30 -13.580 -5.425 0.544 464 HG13 ILE 30 1HG1 ILE 30 -14.557 -6.853 0.874 465 HG21 ILE 30 1HG2 ILE 30 -15.685 -3.271 1.151 466 HG22 ILE 30 2HG2 ILE 30 -14.234 -3.583 0.196 467 HG23 ILE 30 3HG2 ILE 30 -15.748 -3.169 -0.610 468 HD11 ILE 30 3HD1 ILE 30 -13.816 -7.647 -1.052 469 HD12 ILE 30 1HD1 ILE 30 -14.842 -6.454 -1.847 470 HD13 ILE 30 2HD1 ILE 30 -13.149 -6.085 -1.520 471 H ALA 31 H ALA 31 -17.441 -4.299 3.334 472 HA ALA 31 HA ALA 31 -19.683 -3.067 1.913 473 HB1 ALA 31 1HB ALA 31 -20.839 -3.810 3.669 474 HB2 ALA 31 2HB ALA 31 -19.368 -4.174 4.572 475 HB3 ALA 31 3HB ALA 31 -20.045 -2.545 4.605 476 H ASP 32 H ASP 32 -16.687 -2.307 2.284 477 HA ASP 32 HA ASP 32 -16.928 0.386 3.311 478 HB2 ASP 32 2HB ASP 32 -14.766 -1.329 2.347 479 HB3 ASP 32 1HB ASP 32 -14.640 0.319 1.745 480 H ARG 33 H ARG 33 -16.626 2.305 1.916 481 HA ARG 33 HA ARG 33 -18.375 2.095 -0.345 482 HB2 ARG 33 2HB ARG 33 -18.477 4.102 0.987 483 HB3 ARG 33 1HB ARG 33 -16.765 4.414 0.736 484 HG2 ARG 33 2HG ARG 33 -17.070 5.171 -1.405 485 HG3 ARG 33 1HG ARG 33 -18.550 4.241 -1.637 486 HD2 ARG 33 2HD ARG 33 -19.644 6.140 -1.279 487 HD3 ARG 33 1HD ARG 33 -19.185 5.977 0.417 488 HE ARG 33 HE ARG 33 -17.363 7.362 -1.413 489 HH11 ARG 33 2HH1 ARG 33 -19.644 7.529 1.252 490 HH12 ARG 33 1HH1 ARG 33 -19.178 9.149 1.693 491 HH21 ARG 33 2HH2 ARG 33 -16.761 9.488 -0.822 492 HH22 ARG 33 1HH2 ARG 33 -17.554 10.253 0.528 493 H PHE 34 H PHE 34 -14.959 3.032 0.020 494 HA PHE 34 HA PHE 34 -14.631 2.629 -2.862 495 HB2 PHE 34 2HB PHE 34 -13.265 4.338 -0.852 496 HB3 PHE 34 1HB PHE 34 -12.288 3.723 -2.183 497 HD1 PHE 34 1HD PHE 34 -15.786 4.988 -1.920 498 HD2 PHE 34 2HD PHE 34 -11.979 5.329 -3.783 499 HE1 PHE 34 1HE PHE 34 -16.680 6.736 -3.397 500 HE2 PHE 34 2HE PHE 34 -12.859 7.082 -5.267 501 HZ PHE 34 HZ PHE 34 -15.209 7.786 -5.080 502 H LEU 35 H LEU 35 -13.724 0.863 -3.583 503 HA LEU 35 HA LEU 35 -12.314 -0.877 -1.712 504 HB2 LEU 35 2HB LEU 35 -12.391 -2.237 -4.099 505 HB3 LEU 35 1HB LEU 35 -13.529 -2.424 -2.781 506 HG LEU 35 HG LEU 35 -14.064 -0.333 -4.846 507 HD11 LEU 35 1HD1 LEU 35 -15.094 -1.902 -6.326 508 HD12 LEU 35 2HD1 LEU 35 -13.429 -2.416 -6.056 509 HD13 LEU 35 3HD1 LEU 35 -14.749 -3.241 -5.229 510 HD21 LEU 35 3HD2 LEU 35 -16.391 -0.987 -4.371 511 HD22 LEU 35 1HD2 LEU 35 -15.804 -2.176 -3.208 512 HD23 LEU 35 2HD2 LEU 35 -15.529 -0.455 -2.928 513 H LEU 36 H LEU 36 -10.274 -1.792 -2.253 514 HA LEU 36 HA LEU 36 -8.699 -0.018 -3.999 515 HB2 LEU 36 2HB LEU 36 -8.121 -1.096 -1.266 516 HB3 LEU 36 1HB LEU 36 -6.805 -0.669 -2.343 517 HG LEU 36 HG LEU 36 -8.508 1.541 -2.403 518 HD11 LEU 36 1HD1 LEU 36 -9.393 0.295 -0.252 519 HD12 LEU 36 2HD1 LEU 36 -7.972 1.044 0.475 520 HD13 LEU 36 3HD1 LEU 36 -9.204 2.046 -0.290 521 HD21 LEU 36 3HD2 LEU 36 -5.867 1.065 -2.162 522 HD22 LEU 36 1HD2 LEU 36 -6.607 2.645 -1.901 523 HD23 LEU 36 2HD2 LEU 36 -6.242 1.603 -0.524 524 H TYR 37 H TYR 37 -6.685 -0.933 -4.768 525 HA TYR 37 HA TYR 37 -6.864 -3.834 -5.281 526 HB2 TYR 37 2HB TYR 37 -6.475 -1.532 -7.033 527 HB3 TYR 37 1HB TYR 37 -5.201 -2.726 -7.216 528 HD1 TYR 37 1HD TYR 37 -6.657 -5.260 -6.883 529 HD2 TYR 37 2HD TYR 37 -7.777 -1.697 -8.916 530 HE1 TYR 37 1HE TYR 37 -8.094 -6.581 -8.380 531 HE2 TYR 37 2HE TYR 37 -9.215 -2.994 -10.418 532 HH TYR 37 HH TYR 37 -9.138 -5.641 -11.222 533 H ALA 38 H ALA 38 -4.935 -5.006 -5.183 534 HA ALA 38 HA ALA 38 -2.494 -3.559 -4.441 535 HB1 ALA 38 1HB ALA 38 -3.073 -4.267 -2.317 536 HB2 ALA 38 2HB ALA 38 -3.813 -5.757 -2.904 537 HB3 ALA 38 3HB ALA 38 -2.056 -5.594 -2.879 538 H MET 39 H MET 39 -3.299 -6.998 -4.595 539 HA MET 39 HA MET 39 -1.299 -7.385 -6.672 540 HB2 MET 39 2HB MET 39 -2.590 -9.045 -4.651 541 HB3 MET 39 1HB MET 39 -2.537 -9.828 -6.226 542 HG2 MET 39 2HG MET 39 -0.267 -9.979 -6.226 543 HG3 MET 39 1HG MET 39 -0.061 -8.547 -5.218 544 HE1 MET 39 3HE MET 39 -1.955 -8.958 -2.905 545 HE2 MET 39 1HE MET 39 -1.163 -9.972 -1.701 546 HE3 MET 39 2HE MET 39 -0.285 -8.630 -2.436 547 H ASP 40 H ASP 40 -4.458 -8.920 -6.305 548 HA ASP 40 HA ASP 40 -5.476 -7.704 -8.736 549 HB2 ASP 40 2HB ASP 40 -4.164 -10.031 -9.064 550 HB3 ASP 40 1HB ASP 40 -5.749 -10.659 -8.628 551 H SER 41 H SER 41 -5.854 -8.625 -5.640 552 HA SER 41 HA SER 41 -8.616 -9.496 -5.788 553 HB2 SER 41 2HB SER 41 -7.873 -9.047 -3.120 554 HB3 SER 41 1HB SER 41 -7.908 -10.597 -3.963 555 HG SER 41 HG SER 41 -5.802 -10.603 -4.046 556 H TYR 42 H TYR 42 -10.172 -8.390 -4.242 557 HA TYR 42 HA TYR 42 -9.891 -5.483 -4.527 558 HB2 TYR 42 2HB TYR 42 -12.317 -7.264 -4.248 559 HB3 TYR 42 1HB TYR 42 -12.403 -5.512 -4.083 560 HD1 TYR 42 2HD TYR 42 -11.256 -8.151 -6.461 561 HD2 TYR 42 1HD TYR 42 -12.745 -4.201 -5.970 562 HE1 TYR 42 2HE TYR 42 -11.462 -7.933 -8.897 563 HE2 TYR 42 1HE TYR 42 -12.949 -3.967 -8.408 564 HH TYR 42 HH TYR 42 -11.428 -5.845 -10.548 565 H TRP 43 H TRP 43 -9.534 -4.297 -2.777 566 HA TRP 43 HA TRP 43 -9.909 -5.577 -0.147 567 HB2 TRP 43 2HB TRP 43 -7.815 -3.492 -0.734 568 HB3 TRP 43 1HB TRP 43 -7.905 -4.587 0.638 569 HD1 TRP 43 HD TRP 43 -7.313 -4.786 -3.190 570 HE1 TRP 43 1HE TRP 43 -5.683 -6.713 -3.642 571 HE3 TRP 43 3HE TRP 43 -6.768 -6.528 1.576 572 HZ2 TRP 43 2HZ TRP 43 -4.331 -8.701 -2.191 573 HZ3 TRP 43 3HZ TRP 43 -5.286 -8.457 1.960 574 HH2 TRP 43 HH TRP 43 -4.092 -9.518 0.106 575 H HIS 44 H HIS 44 -9.656 -3.761 1.594 576 HA HIS 44 HA HIS 44 -10.936 -1.257 0.861 577 HB2 HIS 44 2HB HIS 44 -12.600 -1.463 2.719 578 HB3 HIS 44 1HB HIS 44 -12.871 -2.631 1.433 579 HD1 HIS 44 1HD HIS 44 -13.154 -2.574 4.906 580 HD2 HIS 44 2HD HIS 44 -11.213 -5.109 2.242 581 HE1 HIS 44 1HE HIS 44 -12.679 -4.744 6.172 582 H SER 45 H SER 45 -11.271 -0.182 3.347 583 HA SER 45 HA SER 45 -8.780 0.734 4.022 584 HB2 SER 45 2HB SER 45 -10.825 0.595 6.183 585 HB3 SER 45 1HB SER 45 -9.855 1.962 5.631 586 HG SER 45 HG SER 45 -12.355 1.269 4.913 587 H ARG 46 H ARG 46 -10.572 -1.855 5.739 588 HA ARG 46 HA ARG 46 -8.469 -2.199 7.648 589 HB2 ARG 46 2HB ARG 46 -11.155 -2.866 7.538 590 HB3 ARG 46 1HB ARG 46 -10.336 -4.422 7.472 591 HG2 ARG 46 2HG ARG 46 -9.899 -4.334 9.642 592 HG3 ARG 46 1HG ARG 46 -9.113 -2.766 9.446 593 HD2 ARG 46 2HD ARG 46 -12.042 -3.293 9.903 594 HD3 ARG 46 1HD ARG 46 -10.909 -2.513 11.008 595 HE ARG 46 HE ARG 46 -10.812 -0.644 9.487 596 HH11 ARG 46 2HH1 ARG 46 -13.432 -2.929 8.978 597 HH12 ARG 46 1HH1 ARG 46 -14.365 -1.818 8.009 598 HH21 ARG 46 2HH2 ARG 46 -12.026 0.791 8.228 599 HH22 ARG 46 1HH2 ARG 46 -13.576 0.302 7.608 600 H CYS 47 H CYS 47 -8.840 -3.305 4.487 601 HA CYS 47 HA CYS 47 -7.345 -5.762 5.038 602 HB2 CYS 47 2HB CYS 47 -9.398 -5.056 3.139 603 HB3 CYS 47 1HB CYS 47 -7.988 -5.732 2.328 604 H LEU 48 H LEU 48 -7.238 -2.855 3.041 605 HA LEU 48 HA LEU 48 -4.786 -3.612 1.763 606 HB2 LEU 48 2HB LEU 48 -6.783 -1.970 1.062 607 HB3 LEU 48 1HB LEU 48 -5.698 -0.783 1.753 608 HG LEU 48 HG LEU 48 -5.527 -1.099 -0.742 609 HD11 LEU 48 1HD1 LEU 48 -3.485 -0.281 -0.576 610 HD12 LEU 48 2HD1 LEU 48 -3.527 -0.680 1.144 611 HD13 LEU 48 3HD1 LEU 48 -2.850 -1.828 -0.011 612 HD21 LEU 48 3HD2 LEU 48 -4.608 -3.014 -1.684 613 HD22 LEU 48 1HD2 LEU 48 -4.025 -3.612 -0.129 614 HD23 LEU 48 2HD2 LEU 48 -5.750 -3.637 -0.494 615 H LYS 49 H LYS 49 -3.708 -4.030 3.853 616 HA LYS 49 HA LYS 49 -2.276 -1.646 4.754 617 HB2 LYS 49 2HB LYS 49 -2.476 -2.806 7.133 618 HB3 LYS 49 1HB LYS 49 -3.678 -1.658 6.565 619 HG2 LYS 49 2HG LYS 49 -5.000 -3.344 7.376 620 HG3 LYS 49 1HG LYS 49 -4.888 -3.787 5.671 621 HD2 LYS 49 2HD LYS 49 -3.030 -5.334 6.249 622 HD3 LYS 49 1HD LYS 49 -3.281 -4.948 7.952 623 HE2 LYS 49 2HE LYS 49 -5.260 -6.090 8.061 624 HE3 LYS 49 1HE LYS 49 -5.614 -5.855 6.350 625 HZ1 LYS 49 3HZ LYS 49 -3.375 -7.589 7.191 626 HZ2 LYS 49 1HZ LYS 49 -4.257 -7.610 5.740 627 HZ3 LYS 49 2HZ LYS 49 -4.959 -8.183 7.171 628 H CYS 50 H CYS 50 -0.327 -2.182 5.963 629 HA CYS 50 HA CYS 50 1.233 -4.257 4.918 630 HB2 CYS 50 2HB CYS 50 2.126 -2.216 5.993 631 HB3 CYS 50 1HB CYS 50 1.518 -2.770 7.545 632 H SER 51 H SER 51 1.435 -6.370 5.472 633 HA SER 51 HA SER 51 -0.432 -7.459 7.382 634 HB2 SER 51 2HB SER 51 1.758 -9.003 5.995 635 HB3 SER 51 1HB SER 51 0.184 -9.585 6.543 636 HG SER 51 HG SER 51 -0.009 -7.529 4.756 637 H SER 52 H SER 52 2.542 -6.056 7.643 638 HA SER 52 HA SER 52 3.499 -7.850 9.746 639 HB2 SER 52 2HB SER 52 4.834 -6.669 7.694 640 HB3 SER 52 1HB SER 52 5.148 -5.525 8.999 641 HG SER 52 HG SER 52 6.675 -6.898 9.463 642 H CYS 53 H CYS 53 2.928 -4.319 9.272 643 HA CYS 53 HA CYS 53 2.767 -4.151 12.210 644 HB2 CYS 53 2HB CYS 53 3.454 -1.831 12.074 645 HB3 CYS 53 1HB CYS 53 4.634 -2.858 11.279 646 H GLN 54 H GLN 54 0.917 -4.135 9.502 647 HA GLN 54 HA GLN 54 -1.270 -3.744 9.104 648 HB2 GLN 54 2HB GLN 54 -1.327 -3.162 12.064 649 HB3 GLN 54 1HB GLN 54 -2.762 -3.179 11.050 650 HG2 GLN 54 2HG GLN 54 -0.999 -5.560 11.001 651 HG3 GLN 54 1HG GLN 54 -1.989 -5.288 12.434 652 HE21 GLN 54 1HE2 GLN 54 -4.293 -4.289 11.432 653 HE22 GLN 54 2HE2 GLN 54 -5.053 -5.459 10.398 654 H ALA 55 H ALA 55 0.641 -1.689 8.640 655 HA ALA 55 HA ALA 55 -0.813 0.770 9.222 656 HB1 ALA 55 1HB ALA 55 1.897 0.092 8.344 657 HB2 ALA 55 2HB ALA 55 1.202 1.495 7.531 658 HB3 ALA 55 3HB ALA 55 1.320 1.463 9.292 659 H GLN 56 H GLN 56 -2.083 1.824 7.782 660 HA GLN 56 HA GLN 56 -3.012 0.444 5.491 661 HB2 GLN 56 2HB GLN 56 -3.766 2.725 7.024 662 HB3 GLN 56 1HB GLN 56 -3.710 3.195 5.332 663 HG2 GLN 56 2HG GLN 56 -5.094 0.677 6.076 664 HG3 GLN 56 1HG GLN 56 -5.881 2.219 6.395 665 HE21 GLN 56 1HE2 GLN 56 -6.690 0.151 4.562 666 HE22 GLN 56 2HE2 GLN 56 -6.705 0.868 2.986 667 H LEU 57 H LEU 57 -2.254 0.429 3.473 668 HA LEU 57 HA LEU 57 -0.210 2.419 2.756 669 HB2 LEU 57 2HB LEU 57 -0.803 -0.299 1.584 670 HB3 LEU 57 1HB LEU 57 0.417 0.801 0.970 671 HG LEU 57 HG LEU 57 0.668 0.189 3.835 672 HD11 LEU 57 1HD1 LEU 57 1.613 -1.965 2.032 673 HD12 LEU 57 2HD1 LEU 57 1.145 -2.032 3.731 674 HD13 LEU 57 3HD1 LEU 57 -0.094 -1.958 2.480 675 HD21 LEU 57 3HD2 LEU 57 2.312 1.486 2.553 676 HD22 LEU 57 1HD2 LEU 57 3.011 0.016 3.232 677 HD23 LEU 57 2HD2 LEU 57 2.594 0.086 1.520 678 H GLY 58 H GLY 58 -3.408 2.051 2.430 679 HA2 GLY 58 1HA GLY 58 -3.586 2.643 -0.420 680 HA3 GLY 58 2HA GLY 58 -4.929 2.326 0.667 681 H ASP 59 H ASP 59 -4.704 4.103 2.629 682 HA ASP 59 HA ASP 59 -5.311 6.585 1.253 683 HB2 ASP 59 2HB ASP 59 -6.648 5.508 3.209 684 HB3 ASP 59 1HB ASP 59 -5.415 6.231 4.236 685 H ILE 60 H ILE 60 -2.556 5.345 2.041 686 HA ILE 60 HA ILE 60 -1.373 7.942 2.750 687 HB ILE 60 HB ILE 60 -0.138 5.275 3.458 688 HG12 ILE 60 2HG1 ILE 60 -2.336 5.722 4.651 689 HG13 ILE 60 1HG1 ILE 60 -0.938 5.474 5.692 690 HG21 ILE 60 1HG2 ILE 60 1.653 6.588 3.713 691 HG22 ILE 60 2HG2 ILE 60 0.689 8.064 3.660 692 HG23 ILE 60 3HG2 ILE 60 0.856 7.176 5.174 693 HD11 ILE 60 3HD1 ILE 60 -2.710 7.732 5.492 694 HD12 ILE 60 1HD1 ILE 60 -1.511 7.345 6.726 695 HD13 ILE 60 2HD1 ILE 60 -1.029 8.219 5.273 696 H GLY 61 H GLY 61 0.444 8.534 1.563 697 HA2 GLY 61 1HA GLY 61 0.593 7.384 -1.059 698 HA3 GLY 61 2HA GLY 61 1.544 8.734 -0.458 699 H THR 62 H THR 62 1.408 5.462 0.883 700 HA THR 62 HA THR 62 4.278 5.198 0.365 701 HB THR 62 HB THR 62 3.375 3.003 1.895 702 HG1 THR 62 1HG THR 62 1.729 3.789 2.962 703 HG21 THR 62 3HG2 THR 62 5.247 5.195 2.075 704 HG22 THR 62 1HG2 THR 62 5.347 3.580 2.776 705 HG23 THR 62 2HG2 THR 62 4.514 4.868 3.646 706 H SER 63 H SER 63 4.949 3.891 -1.234 707 HA SER 63 HA SER 63 3.119 2.166 -2.616 708 HB2 SER 63 2HB SER 63 5.882 1.656 -3.265 709 HB3 SER 63 1HB SER 63 4.623 2.380 -4.268 710 HG SER 63 HG SER 63 6.568 3.697 -3.730 711 H SER 64 H SER 64 2.610 0.181 -1.964 712 HA SER 64 HA SER 64 4.070 -1.131 0.122 713 HB2 SER 64 2HB SER 64 2.193 -2.892 -1.112 714 HB3 SER 64 1HB SER 64 2.043 -2.046 0.429 715 HG SER 64 HG SER 64 0.516 -1.653 -1.554 716 H TYR 65 H TYR 65 5.459 -2.797 -0.023 717 HA TYR 65 HA TYR 65 6.176 -3.680 -2.739 718 HB2 TYR 65 2HB TYR 65 7.946 -3.558 -0.286 719 HB3 TYR 65 1HB TYR 65 8.444 -4.033 -1.907 720 HD1 TYR 65 2HD TYR 65 8.232 -2.272 -3.769 721 HD2 TYR 65 1HD TYR 65 8.056 -1.313 0.373 722 HE1 TYR 65 2HE TYR 65 8.773 0.067 -4.293 723 HE2 TYR 65 1HE TYR 65 8.597 1.028 -0.146 724 HH TYR 65 HH TYR 65 8.658 2.223 -3.410 725 H THR 66 H THR 66 6.820 -5.882 -3.009 726 HA THR 66 HA THR 66 6.050 -7.685 -0.848 727 HB THR 66 HB THR 66 4.019 -7.240 -2.289 728 HG1 THR 66 1HG THR 66 3.985 -9.101 -1.097 729 HG21 THR 66 3HG2 THR 66 5.035 -7.108 -4.470 730 HG22 THR 66 1HG2 THR 66 3.929 -8.482 -4.448 731 HG23 THR 66 2HG2 THR 66 5.669 -8.747 -4.323 732 H LYS 67 H LYS 67 6.271 -10.039 -1.803 733 HA LYS 67 HA LYS 67 8.379 -10.479 -3.668 734 HB2 LYS 67 2HB LYS 67 9.476 -9.622 -1.455 735 HB3 LYS 67 1HB LYS 67 9.087 -11.224 -0.842 736 HG2 LYS 67 2HG LYS 67 10.386 -12.203 -2.708 737 HG3 LYS 67 1HG LYS 67 10.849 -10.569 -3.194 738 HD2 LYS 67 2HD LYS 67 11.446 -10.593 -0.518 739 HD3 LYS 67 1HD LYS 67 11.846 -12.237 -1.014 740 HE2 LYS 67 2HE LYS 67 13.744 -10.628 -1.178 741 HE3 LYS 67 1HE LYS 67 13.351 -11.442 -2.691 742 HZ1 LYS 67 3HZ LYS 67 12.742 -9.533 -3.660 743 HZ2 LYS 67 1HZ LYS 67 13.671 -8.793 -2.442 744 HZ3 LYS 67 2HZ LYS 67 11.988 -8.921 -2.271 745 H SER 68 H SER 68 7.155 -11.877 -0.659 746 HA SER 68 HA SER 68 6.560 -14.369 -2.082 747 HB2 SER 68 2HB SER 68 6.437 -14.200 0.895 748 HB3 SER 68 1HB SER 68 7.035 -15.502 -0.137 749 HG SER 68 HG SER 68 8.903 -14.285 -0.525 750 H GLY 69 H GLY 69 4.838 -12.156 -2.414 751 HA2 GLY 69 1HA GLY 69 2.543 -11.997 -2.670 752 HA3 GLY 69 2HA GLY 69 2.357 -13.411 -1.646 753 H MET 70 H MET 70 4.039 -12.079 0.457 754 HA MET 70 HA MET 70 1.922 -10.948 1.949 755 HB2 MET 70 2HB MET 70 4.236 -12.088 2.643 756 HB3 MET 70 1HB MET 70 4.743 -10.407 2.734 757 HG2 MET 70 2HG MET 70 2.787 -10.000 4.245 758 HG3 MET 70 1HG MET 70 2.535 -11.744 4.272 759 HE1 MET 70 3HE MET 70 5.039 -12.987 4.104 760 HE2 MET 70 1HE MET 70 6.139 -12.843 5.479 761 HE3 MET 70 2HE MET 70 4.515 -13.491 5.712 762 H ILE 71 H ILE 71 1.350 -8.884 2.339 763 HA ILE 71 HA ILE 71 2.624 -6.787 0.757 764 HB ILE 71 HB ILE 71 0.236 -6.363 2.529 765 HG12 ILE 71 2HG1 ILE 71 -0.634 -6.857 -0.131 766 HG13 ILE 71 1HG1 ILE 71 0.359 -8.225 0.362 767 HG21 ILE 71 1HG2 ILE 71 0.186 -5.103 -0.052 768 HG22 ILE 71 2HG2 ILE 71 0.168 -4.373 1.553 769 HG23 ILE 71 3HG2 ILE 71 1.703 -4.759 0.778 770 HD11 ILE 71 3HD1 ILE 71 -1.069 -8.249 2.484 771 HD12 ILE 71 1HD1 ILE 71 -2.172 -7.207 1.587 772 HD13 ILE 71 2HD1 ILE 71 -1.797 -8.821 0.983 773 H LEU 72 H LEU 72 4.086 -5.458 1.651 774 HA LEU 72 HA LEU 72 3.959 -4.982 4.549 775 HB2 LEU 72 2HB LEU 72 6.400 -5.719 2.943 776 HB3 LEU 72 1HB LEU 72 6.480 -5.027 4.551 777 HG LEU 72 HG LEU 72 4.806 -7.160 4.943 778 HD11 LEU 72 1HD1 LEU 72 6.978 -8.415 3.389 779 HD12 LEU 72 2HD1 LEU 72 5.322 -8.948 3.667 780 HD13 LEU 72 3HD1 LEU 72 5.655 -7.697 2.473 781 HD21 LEU 72 3HD2 LEU 72 6.546 -6.658 6.459 782 HD22 LEU 72 1HD2 LEU 72 6.870 -8.283 5.854 783 HD23 LEU 72 2HD2 LEU 72 7.786 -6.911 5.229 784 H CYS 73 H CYS 73 4.961 -3.030 5.246 785 HA CYS 73 HA CYS 73 4.709 -0.869 3.377 786 HB2 CYS 73 2HB CYS 73 5.319 0.565 5.284 787 HB3 CYS 73 1HB CYS 73 4.046 -0.571 5.717 788 H ARG 74 H ARG 74 6.564 0.865 3.551 789 HA ARG 74 HA ARG 74 8.770 -0.182 2.156 790 HB2 ARG 74 2HB ARG 74 7.753 2.267 2.339 791 HB3 ARG 74 1HB ARG 74 9.020 2.444 3.547 792 HG2 ARG 74 2HG ARG 74 10.608 1.559 1.762 793 HG3 ARG 74 1HG ARG 74 9.294 1.850 0.620 794 HD2 ARG 74 2HD ARG 74 9.245 4.221 1.631 795 HD3 ARG 74 1HD ARG 74 10.839 3.822 2.270 796 HE ARG 74 HE ARG 74 11.616 3.566 0.004 797 HH11 ARG 74 2HH1 ARG 74 8.493 5.096 0.393 798 HH12 ARG 74 1HH1 ARG 74 8.491 5.820 -1.182 799 HH21 ARG 74 2HH2 ARG 74 11.643 4.531 -2.076 800 HH22 ARG 74 1HH2 ARG 74 10.311 5.536 -2.567 801 H ASN 75 H ASN 75 8.264 0.546 5.540 802 HA ASN 75 HA ASN 75 11.045 0.288 6.248 803 HB2 ASN 75 2HB ASN 75 9.018 -0.028 8.380 804 HB3 ASN 75 1HB ASN 75 10.441 1.002 8.325 805 HD21 ASN 75 1HD2 ASN 75 7.076 0.692 7.377 806 HD22 ASN 75 2HD2 ASN 75 6.808 2.389 7.144 807 H ASP 76 H ASP 76 8.125 -1.674 6.523 808 HA ASP 76 HA ASP 76 9.342 -3.762 8.010 809 HB2 ASP 76 2HB ASP 76 6.736 -3.190 6.873 810 HB3 ASP 76 1HB ASP 76 7.167 -4.888 6.701 811 H TYR 77 H TYR 77 8.745 -3.268 4.567 812 HA TYR 77 HA TYR 77 9.354 -5.889 3.763 813 HB2 TYR 77 2HB TYR 77 8.205 -4.241 2.319 814 HB3 TYR 77 1HB TYR 77 9.724 -3.364 2.149 815 HD1 TYR 77 2HD TYR 77 8.496 -6.884 1.818 816 HD2 TYR 77 1HD TYR 77 10.927 -3.772 0.226 817 HE1 TYR 77 2HE TYR 77 9.127 -8.341 -0.059 818 HE2 TYR 77 1HE TYR 77 11.569 -5.224 -1.649 819 HH TYR 77 HH TYR 77 9.971 -7.786 -2.614 820 H ILE 78 H ILE 78 11.413 -3.021 4.092 821 HA ILE 78 HA ILE 78 13.750 -4.285 3.079 822 HB ILE 78 HB ILE 78 13.565 -1.915 4.948 823 HG12 ILE 78 2HG1 ILE 78 12.322 -1.771 2.721 824 HG13 ILE 78 1HG1 ILE 78 13.500 -0.504 3.049 825 HG21 ILE 78 1HG2 ILE 78 15.783 -1.327 4.071 826 HG22 ILE 78 2HG2 ILE 78 15.793 -2.874 4.918 827 HG23 ILE 78 3HG2 ILE 78 15.808 -2.835 3.154 828 HD11 ILE 78 3HD1 ILE 78 13.339 -1.827 0.731 829 HD12 ILE 78 1HD1 ILE 78 14.836 -1.135 1.353 830 HD13 ILE 78 2HD1 ILE 78 14.501 -2.852 1.577 831 H ARG 79 H ARG 79 12.293 -4.007 6.248 832 HA ARG 79 HA ARG 79 14.462 -5.101 7.723 833 HB2 ARG 79 2HB ARG 79 12.358 -3.787 8.538 834 HB3 ARG 79 1HB ARG 79 11.594 -5.371 8.569 835 HG2 ARG 79 2HG ARG 79 12.967 -6.140 10.269 836 HG3 ARG 79 1HG ARG 79 14.195 -4.910 9.969 837 HD2 ARG 79 2HD ARG 79 11.491 -3.982 10.761 838 HD3 ARG 79 1HD ARG 79 12.480 -4.751 12.003 839 HE ARG 79 HE ARG 79 14.166 -3.032 11.586 840 HH11 ARG 79 2HH1 ARG 79 10.880 -2.424 10.515 841 HH12 ARG 79 1HH1 ARG 79 11.115 -0.707 10.382 842 HH21 ARG 79 2HH2 ARG 79 14.471 -0.768 11.401 843 HH22 ARG 79 1HH2 ARG 79 13.154 0.234 10.854 844 H LEU 80 H LEU 80 11.643 -6.465 6.125 845 HA LEU 80 HA LEU 80 12.128 -9.115 7.159 846 HB2 LEU 80 2HB LEU 80 9.934 -7.732 6.106 847 HB3 LEU 80 1HB LEU 80 10.265 -9.008 4.951 848 HG LEU 80 HG LEU 80 8.720 -9.979 6.385 849 HD11 LEU 80 1HD1 LEU 80 9.985 -11.587 7.823 850 HD12 LEU 80 2HD1 LEU 80 10.537 -11.506 6.151 851 HD13 LEU 80 3HD1 LEU 80 11.453 -10.699 7.422 852 HD21 LEU 80 3HD2 LEU 80 8.228 -8.904 8.266 853 HD22 LEU 80 1HD2 LEU 80 9.610 -9.710 9.011 854 HD23 LEU 80 2HD2 LEU 80 9.803 -8.109 8.296 855 H PHE 81 H PHE 81 11.982 -7.754 3.850 856 HA PHE 81 HA PHE 81 13.762 -9.944 3.006 857 HB2 PHE 81 2HB PHE 81 11.673 -8.639 1.258 858 HB3 PHE 81 1HB PHE 81 12.617 -10.080 0.906 859 HD1 PHE 81 2HD PHE 81 12.124 -12.194 2.097 860 HD2 PHE 81 1HD PHE 81 9.676 -8.742 2.509 861 HE1 PHE 81 2HE PHE 81 10.306 -13.595 2.985 862 HE2 PHE 81 1HE PHE 81 7.851 -10.135 3.395 863 HZ PHE 81 HZ PHE 81 8.168 -12.565 3.637 864 H GLY 82 H GLY 82 12.627 -7.358 0.947 865 HA2 GLY 82 1HA GLY 82 13.732 -5.474 0.138 866 HA3 GLY 82 2HA GLY 82 15.111 -5.875 1.155 Start of MODEL 18 1 H SER 641 1H SER 641 -6.837 -14.719 -22.724 2 HA SER 641 HA SER 641 -5.255 -14.003 -21.349 3 HB2 SER 641 2HB SER 641 -3.298 -15.747 -22.770 4 HB3 SER 641 1HB SER 641 -3.739 -15.714 -21.062 5 HG SER 641 HG SER 641 -4.973 -17.344 -21.504 6 H LEU 642 H LEU 642 -4.222 -12.138 -21.208 7 HA LEU 642 HA LEU 642 -3.018 -11.011 -23.591 8 HB2 LEU 642 2HB LEU 642 -4.535 -9.874 -21.750 9 HB3 LEU 642 1HB LEU 642 -2.988 -9.595 -20.974 10 HG LEU 642 HG LEU 642 -2.274 -8.578 -23.243 11 HD11 LEU 642 1HD1 LEU 642 -5.001 -7.698 -23.721 12 HD12 LEU 642 2HD1 LEU 642 -3.778 -8.265 -24.857 13 HD13 LEU 642 3HD1 LEU 642 -4.787 -9.426 -23.994 14 HD21 LEU 642 3HD2 LEU 642 -2.336 -6.980 -21.643 15 HD22 LEU 642 1HD2 LEU 642 -3.759 -6.463 -22.551 16 HD23 LEU 642 2HD2 LEU 642 -3.949 -7.438 -21.093 17 H GLN 643 H GLN 643 -1.403 -12.934 -23.222 18 HA GLN 643 HA GLN 643 0.855 -12.115 -21.588 19 HB2 GLN 643 2HB GLN 643 0.076 -14.529 -23.096 20 HB3 GLN 643 1HB GLN 643 1.792 -14.149 -23.164 21 HG2 GLN 643 2HG GLN 643 1.854 -15.389 -21.293 22 HG3 GLN 643 1HG GLN 643 1.374 -13.874 -20.529 23 HE21 GLN 643 1HE2 GLN 643 0.887 -16.462 -19.494 24 HE22 GLN 643 2HE2 GLN 643 -0.833 -16.690 -19.436 25 H ASN 644 H ASN 644 1.751 -10.300 -22.368 26 HA ASN 644 HA ASN 644 1.786 -9.629 -25.134 27 HB2 ASN 644 2HB ASN 644 1.911 -8.092 -23.012 28 HB3 ASN 644 1HB ASN 644 3.646 -8.360 -23.151 29 HD21 ASN 644 1HD2 ASN 644 4.548 -6.663 -24.044 30 HD22 ASN 644 2HD2 ASN 644 3.933 -5.793 -25.412 31 H ASN 645 H ASN 645 4.550 -10.147 -22.940 32 HA ASN 645 HA ASN 645 5.821 -11.950 -24.766 33 HB2 ASN 645 2HB ASN 645 6.431 -9.951 -25.952 34 HB3 ASN 645 1HB ASN 645 6.900 -9.141 -24.460 35 HD21 ASN 645 1HD2 ASN 645 9.006 -8.826 -24.551 36 HD22 ASN 645 2HD2 ASN 645 10.191 -10.015 -24.987 37 H GLN 646 H GLN 646 7.242 -13.221 -23.705 38 HA GLN 646 HA GLN 646 7.675 -12.737 -20.881 39 HB2 GLN 646 2HB GLN 646 7.710 -15.023 -22.672 40 HB3 GLN 646 1HB GLN 646 9.136 -14.994 -21.645 41 HG2 GLN 646 2HG GLN 646 7.897 -15.978 -20.098 42 HG3 GLN 646 1HG GLN 646 7.064 -14.439 -19.906 43 HE21 GLN 646 1HE2 GLN 646 6.493 -17.574 -20.138 44 HE22 GLN 646 2HE2 GLN 646 4.969 -17.569 -20.968 45 H ASP 647 H ASP 647 9.000 -10.888 -21.024 46 HA ASP 647 HA ASP 647 11.266 -10.465 -22.502 47 HB2 ASP 647 2HB ASP 647 10.154 -8.914 -20.794 48 HB3 ASP 647 1HB ASP 647 11.148 -9.720 -19.585 49 H VAL 648 H VAL 648 13.181 -11.408 -22.686 50 HA VAL 648 HA VAL 648 13.931 -13.374 -20.626 51 HB VAL 648 HB VAL 648 15.143 -14.420 -22.763 52 HG11 VAL 648 1HG1 VAL 648 12.225 -14.891 -22.177 53 HG12 VAL 648 2HG1 VAL 648 13.365 -16.030 -22.893 54 HG13 VAL 648 3HG1 VAL 648 13.559 -15.528 -21.214 55 HG21 VAL 648 3HG2 VAL 648 12.600 -13.628 -24.085 56 HG22 VAL 648 1HG2 VAL 648 13.930 -12.469 -24.082 57 HG23 VAL 648 2HG2 VAL 648 14.155 -14.067 -24.791 58 H SER 649 H SER 649 15.783 -12.973 -19.656 59 HA SER 649 HA SER 649 17.911 -11.556 -21.065 60 HB2 SER 649 2HB SER 649 18.408 -12.691 -18.366 61 HB3 SER 649 1HB SER 649 18.813 -11.100 -19.007 62 HG SER 649 HG SER 649 16.788 -10.385 -18.577 63 H PHE 650 H PHE 650 19.516 -12.630 -22.069 64 HA PHE 650 HA PHE 650 19.371 -15.525 -22.081 65 HB2 PHE 650 2HB PHE 650 21.321 -13.901 -23.692 66 HB3 PHE 650 1HB PHE 650 20.612 -15.466 -24.072 67 HD1 PHE 650 1HD PHE 650 18.077 -15.517 -24.502 68 HD2 PHE 650 2HD PHE 650 20.423 -11.965 -24.583 69 HE1 PHE 650 1HE PHE 650 16.340 -14.405 -25.840 70 HE2 PHE 650 2HE PHE 650 18.689 -10.846 -25.924 71 HZ PHE 650 HZ PHE 650 16.646 -12.067 -26.553 72 H GLU 651 H GLU 651 21.599 -16.656 -22.313 73 HA GLU 651 HA GLU 651 22.750 -16.568 -19.749 74 HB2 GLU 651 2HB GLU 651 23.146 -18.106 -22.228 75 HB3 GLU 651 1HB GLU 651 24.539 -18.033 -21.157 76 HG2 GLU 651 2HG GLU 651 21.815 -18.801 -20.179 77 HG3 GLU 651 1HG GLU 651 22.934 -19.974 -20.867 78 H ASN 652 H ASN 652 23.487 -14.716 -22.514 79 HA ASN 652 HA ASN 652 26.241 -14.238 -21.846 80 HB2 ASN 652 2HB ASN 652 25.835 -12.203 -23.442 81 HB3 ASN 652 1HB ASN 652 25.918 -13.830 -24.099 82 HD21 ASN 652 1HD2 ASN 652 24.789 -13.049 -25.917 83 HD22 ASN 652 2HD2 ASN 652 23.072 -12.802 -25.871 84 H ILE 653 H ILE 653 23.158 -12.752 -21.158 85 HA ILE 653 HA ILE 653 24.429 -10.518 -19.792 86 HB ILE 653 HB ILE 653 21.484 -10.938 -19.643 87 HG12 ILE 653 2HG1 ILE 653 22.665 -9.629 -22.072 88 HG13 ILE 653 1HG1 ILE 653 22.388 -11.366 -22.055 89 HG21 ILE 653 1HG2 ILE 653 23.420 -8.786 -19.348 90 HG22 ILE 653 2HG2 ILE 653 22.023 -8.336 -20.326 91 HG23 ILE 653 3HG2 ILE 653 21.793 -8.947 -18.689 92 HD11 ILE 653 3HD1 ILE 653 20.190 -11.131 -22.328 93 HD12 ILE 653 1HD1 ILE 653 20.090 -9.807 -21.166 94 HD13 ILE 653 2HD1 ILE 653 20.580 -9.485 -22.829 95 H GLN 654 H GLN 654 25.349 -12.471 -18.443 96 HA GLN 654 HA GLN 654 23.631 -13.099 -16.191 97 HB2 GLN 654 2HB GLN 654 26.454 -13.816 -16.952 98 HB3 GLN 654 1HB GLN 654 25.861 -14.099 -15.321 99 HG2 GLN 654 2HG GLN 654 23.878 -15.195 -16.835 100 HG3 GLN 654 1HG GLN 654 25.314 -15.553 -17.794 101 HE21 GLN 654 1HE2 GLN 654 24.921 -17.779 -17.327 102 HE22 GLN 654 2HE2 GLN 654 25.399 -18.448 -15.792 103 H TRP 655 H TRP 655 23.210 -11.005 -15.440 104 HA TRP 655 HA TRP 655 25.232 -9.098 -14.939 105 HB2 TRP 655 2HB TRP 655 23.035 -8.547 -13.237 106 HB3 TRP 655 1HB TRP 655 23.449 -7.772 -14.759 107 HD1 TRP 655 HD TRP 655 21.813 -8.106 -16.723 108 HE1 TRP 655 1HE TRP 655 19.674 -9.490 -17.086 109 HE3 TRP 655 3HE TRP 655 21.953 -10.947 -12.474 110 HZ2 TRP 655 2HZ TRP 655 18.234 -11.515 -15.744 111 HZ3 TRP 655 3HZ TRP 655 20.156 -12.581 -12.090 112 HH2 TRP 655 HH TRP 655 18.336 -12.859 -13.690 113 H SER 656 H SER 656 26.460 -8.687 -13.223 114 HA SER 656 HA SER 656 26.285 -10.469 -10.917 115 HB2 SER 656 2HB SER 656 28.415 -8.513 -10.781 116 HB3 SER 656 1HB SER 656 28.530 -10.270 -10.871 117 HG SER 656 HG SER 656 28.596 -10.182 -13.057 118 H ILE 657 H ILE 657 24.222 -8.602 -11.248 119 HA ILE 657 HA ILE 657 24.693 -6.235 -9.701 120 HB ILE 657 HB ILE 657 22.202 -5.964 -9.832 121 HG12 ILE 657 2HG1 ILE 657 21.979 -8.051 -11.905 122 HG13 ILE 657 1HG1 ILE 657 22.154 -8.659 -10.262 123 HG21 ILE 657 1HG2 ILE 657 24.144 -5.826 -11.914 124 HG22 ILE 657 2HG2 ILE 657 22.580 -6.250 -12.607 125 HG23 ILE 657 3HG2 ILE 657 22.745 -4.792 -11.630 126 HD11 ILE 657 3HD1 ILE 657 19.828 -8.479 -10.806 127 HD12 ILE 657 1HD1 ILE 657 20.226 -7.266 -9.590 128 HD13 ILE 657 2HD1 ILE 657 20.025 -6.792 -11.276 129 H ASP 658 H ASP 658 22.874 -5.795 -7.951 130 HA ASP 658 HA ASP 658 23.076 -7.976 -6.002 131 HB2 ASP 658 2HB ASP 658 23.865 -5.628 -5.424 132 HB3 ASP 658 1HB ASP 658 22.173 -5.143 -5.468 133 HA PRO 659 HA PRO 659 18.865 -8.871 -7.133 134 HB2 PRO 659 2HB PRO 659 18.980 -10.785 -4.903 135 HB3 PRO 659 1HB PRO 659 18.736 -11.082 -6.626 136 HG2 PRO 659 2HG PRO 659 21.022 -11.750 -5.382 137 HG3 PRO 659 1HG PRO 659 20.997 -11.187 -7.063 138 HD2 PRO 659 2HD PRO 659 21.705 -9.683 -4.570 139 HD3 PRO 659 1HD PRO 659 22.498 -9.660 -6.160 140 H GLY 660 H GLY 660 19.939 -7.493 -4.239 141 HA2 GLY 660 1HA GLY 660 17.138 -7.147 -3.354 142 HA3 GLY 660 2HA GLY 660 18.495 -7.226 -2.237 143 H ALA 661 H ALA 661 19.173 -5.583 -5.128 144 HA ALA 661 HA ALA 661 19.229 -3.051 -3.695 145 HB1 ALA 661 1HB ALA 661 21.205 -3.234 -4.821 146 HB2 ALA 661 2HB ALA 661 20.481 -4.091 -6.182 147 HB3 ALA 661 3HB ALA 661 20.260 -2.349 -6.018 148 H ASP 662 H ASP 662 17.338 -4.649 -6.106 149 HA ASP 662 HA ASP 662 16.095 -2.131 -6.933 150 HB2 ASP 662 2HB ASP 662 16.734 -3.591 -8.769 151 HB3 ASP 662 1HB ASP 662 15.831 -4.929 -8.061 152 H LEU 663 H LEU 663 14.352 -1.479 -5.909 153 HA LEU 663 HA LEU 663 12.652 -3.465 -4.566 154 HB2 LEU 663 2HB LEU 663 13.350 -0.625 -4.024 155 HB3 LEU 663 1HB LEU 663 11.734 -1.144 -3.597 156 HG LEU 663 HG LEU 663 14.168 -1.476 -2.143 157 HD11 LEU 663 1HD1 LEU 663 11.825 -2.759 -1.023 158 HD12 LEU 663 2HD1 LEU 663 12.731 -1.357 -0.454 159 HD13 LEU 663 3HD1 LEU 663 11.469 -1.158 -1.670 160 HD21 LEU 663 3HD2 LEU 663 12.998 -4.079 -1.875 161 HD22 LEU 663 1HD2 LEU 663 13.540 -3.832 -3.533 162 HD23 LEU 663 2HD2 LEU 663 14.673 -3.635 -2.199 163 H SER 664 H SER 664 12.828 -1.601 -7.318 164 HA SER 664 HA SER 664 10.209 -0.516 -7.463 165 HB2 SER 664 2HB SER 664 11.590 -1.093 -10.009 166 HB3 SER 664 1HB SER 664 10.947 0.431 -9.390 167 HG SER 664 HG SER 664 13.451 -0.790 -8.913 168 H GLN 665 H GLN 665 11.649 -3.541 -8.483 169 HA GLN 665 HA GLN 665 9.554 -4.476 -10.109 170 HB2 GLN 665 2HB GLN 665 12.016 -5.485 -9.052 171 HB3 GLN 665 1HB GLN 665 10.759 -6.684 -8.790 172 HG2 GLN 665 2HG GLN 665 12.064 -6.872 -10.935 173 HG3 GLN 665 1HG GLN 665 10.307 -6.877 -11.081 174 HE21 GLN 665 1HE2 GLN 665 12.835 -4.379 -10.845 175 HE22 GLN 665 2HE2 GLN 665 12.289 -3.485 -12.231 176 H TYR 666 H TYR 666 9.833 -4.188 -6.695 177 HA TYR 666 HA TYR 666 7.710 -6.150 -6.220 178 HB2 TYR 666 2HB TYR 666 9.589 -4.758 -4.304 179 HB3 TYR 666 1HB TYR 666 8.355 -5.921 -3.831 180 HD1 TYR 666 2HD TYR 666 8.507 -8.274 -4.863 181 HD2 TYR 666 1HD TYR 666 11.723 -5.483 -4.901 182 HE1 TYR 666 2HE TYR 666 10.091 -10.115 -5.237 183 HE2 TYR 666 1HE TYR 666 13.318 -7.319 -5.281 184 HH TYR 666 HH TYR 666 12.188 -10.688 -5.634 185 H LYS 667 H LYS 667 7.708 -3.082 -7.066 186 HA LYS 667 HA LYS 667 6.021 -1.965 -5.012 187 HB2 LYS 667 2HB LYS 667 7.313 -1.020 -7.463 188 HB3 LYS 667 1HB LYS 667 5.719 -0.332 -7.197 189 HG2 LYS 667 2HG LYS 667 6.462 1.008 -5.590 190 HG3 LYS 667 1HG LYS 667 7.328 -0.305 -4.789 191 HD2 LYS 667 2HD LYS 667 9.291 0.256 -5.735 192 HD3 LYS 667 1HD LYS 667 8.545 0.595 -7.297 193 HE2 LYS 667 2HE LYS 667 7.621 2.703 -6.141 194 HE3 LYS 667 1HE LYS 667 8.861 2.396 -4.927 195 HZ1 LYS 667 3HZ LYS 667 9.619 3.933 -6.640 196 HZ2 LYS 667 1HZ LYS 667 9.359 2.757 -7.833 197 HZ3 LYS 667 2HZ LYS 667 10.544 2.509 -6.648 198 H MET 668 H MET 668 3.908 -2.240 -4.854 199 HA MET 668 HA MET 668 2.448 -3.492 -7.044 200 HB2 MET 668 2HB MET 668 0.692 -3.896 -5.455 201 HB3 MET 668 1HB MET 668 2.217 -4.332 -4.697 202 HG2 MET 668 2HG MET 668 2.182 -2.027 -3.645 203 HG3 MET 668 1HG MET 668 0.511 -1.917 -4.194 204 HE1 MET 668 3HE MET 668 2.469 -4.743 -1.335 205 HE2 MET 668 1HE MET 668 1.581 -5.734 -2.494 206 HE3 MET 668 2HE MET 668 2.786 -4.576 -3.063 207 H ASP 669 H ASP 669 0.447 -2.640 -7.836 208 HA ASP 669 HA ASP 669 0.431 0.293 -7.813 209 HB2 ASP 669 2HB ASP 669 0.566 -0.795 -10.029 210 HB3 ASP 669 1HB ASP 669 -0.962 -1.610 -9.711 211 H VAL 670 H VAL 670 -0.908 1.207 -6.445 212 HA VAL 670 HA VAL 670 -3.185 -0.240 -5.397 213 HB VAL 670 HB VAL 670 -2.621 2.629 -4.735 214 HG11 VAL 670 1HG1 VAL 670 -3.752 0.270 -3.250 215 HG12 VAL 670 2HG1 VAL 670 -3.333 1.794 -2.464 216 HG13 VAL 670 3HG1 VAL 670 -4.571 1.760 -3.720 217 HG21 VAL 670 3HG2 VAL 670 -0.977 0.259 -3.908 218 HG22 VAL 670 1HG2 VAL 670 -0.441 1.837 -4.482 219 HG23 VAL 670 2HG2 VAL 670 -1.127 1.675 -2.866 220 H THR 671 H THR 671 -4.663 -0.375 -7.045 221 HA THR 671 HA THR 671 -5.570 2.048 -8.373 222 HB THR 671 HB THR 671 -6.948 -0.590 -8.723 223 HG1 THR 671 1HG THR 671 -4.276 0.026 -9.411 224 HG21 THR 671 3HG2 THR 671 -6.041 1.275 -10.885 225 HG22 THR 671 1HG2 THR 671 -7.445 1.693 -9.900 226 HG23 THR 671 2HG2 THR 671 -7.441 0.202 -10.844 227 H VAL 672 H VAL 672 -6.913 3.311 -7.272 228 HA VAL 672 HA VAL 672 -8.745 2.188 -5.310 229 HB VAL 672 HB VAL 672 -8.726 5.097 -6.018 230 HG11 VAL 672 1HG1 VAL 672 -10.151 3.715 -4.230 231 HG12 VAL 672 2HG1 VAL 672 -8.747 4.103 -3.236 232 HG13 VAL 672 3HG1 VAL 672 -9.679 5.397 -3.992 233 HG21 VAL 672 3HG2 VAL 672 -6.386 3.665 -5.240 234 HG22 VAL 672 1HG2 VAL 672 -6.586 5.396 -5.511 235 HG23 VAL 672 2HG2 VAL 672 -6.881 4.715 -3.912 236 H ILE 673 H ILE 673 -10.766 1.654 -5.779 237 HA ILE 673 HA ILE 673 -11.894 2.535 -8.332 238 HB ILE 673 HB ILE 673 -12.673 0.320 -6.440 239 HG12 ILE 673 2HG1 ILE 673 -12.331 -0.785 -8.911 240 HG13 ILE 673 1HG1 ILE 673 -11.158 0.526 -8.970 241 HG21 ILE 673 1HG2 ILE 673 -14.589 -0.143 -7.630 242 HG22 ILE 673 2HG2 ILE 673 -14.589 1.621 -7.647 243 HG23 ILE 673 3HG2 ILE 673 -14.041 0.726 -9.063 244 HD11 ILE 673 3HD1 ILE 673 -10.095 -0.335 -6.946 245 HD12 ILE 673 1HD1 ILE 673 -11.283 -1.635 -6.876 246 HD13 ILE 673 2HD1 ILE 673 -10.143 -1.555 -8.218 247 H ASP 674 H ASP 674 -13.325 4.109 -8.415 248 HA ASP 674 HA ASP 674 -14.476 5.210 -6.013 249 HB2 ASP 674 2HB ASP 674 -14.672 5.923 -8.937 250 HB3 ASP 674 1HB ASP 674 -15.668 6.721 -7.725 251 H THR 675 H THR 675 -15.997 3.956 -5.102 252 HA THR 675 HA THR 675 -17.845 2.371 -6.563 253 HB THR 675 HB THR 675 -18.668 3.029 -3.848 254 HG1 THR 675 1HG THR 675 -16.652 1.819 -3.085 255 HG21 THR 675 3HG2 THR 675 -19.460 0.977 -4.286 256 HG22 THR 675 1HG2 THR 675 -17.834 0.404 -3.916 257 HG23 THR 675 2HG2 THR 675 -18.300 0.715 -5.589 258 H LYS 676 H LYS 676 -19.475 3.160 -7.709 259 HA LYS 676 HA LYS 676 -20.679 5.713 -7.045 260 HB2 LYS 676 2HB LYS 676 -20.208 4.445 -9.418 261 HB3 LYS 676 1HB LYS 676 -21.912 4.092 -9.170 262 HG2 LYS 676 2HG LYS 676 -22.250 6.059 -10.170 263 HG3 LYS 676 1HG LYS 676 -21.831 6.740 -8.596 264 HD2 LYS 676 2HD LYS 676 -19.909 7.597 -9.364 265 HD3 LYS 676 1HD LYS 676 -19.501 6.120 -10.237 266 HE2 LYS 676 2HE LYS 676 -19.955 7.202 -12.129 267 HE3 LYS 676 1HE LYS 676 -21.647 7.239 -11.637 268 HZ1 LYS 676 3HZ LYS 676 -21.062 9.447 -12.075 269 HZ2 LYS 676 1HZ LYS 676 -19.583 9.326 -11.250 270 HZ3 LYS 676 2HZ LYS 676 -21.042 9.328 -10.383 271 H ASP 677 H ASP 677 -21.477 2.296 -6.940 272 HA ASP 677 HA ASP 677 -24.225 2.755 -6.191 273 HB2 ASP 677 2HB ASP 677 -23.459 0.119 -5.458 274 HB3 ASP 677 1HB ASP 677 -24.461 0.622 -6.809 275 H GLY 678 H GLY 678 -23.127 4.276 -4.513 276 HA2 GLY 678 1HA GLY 678 -23.536 2.959 -1.951 277 HA3 GLY 678 2HA GLY 678 -21.959 3.706 -2.185 278 H SER 679 H SER 679 -22.669 5.939 -3.647 279 HA SER 679 HA SER 679 -23.801 7.613 -1.612 280 HB2 SER 679 2HB SER 679 -23.391 8.798 -4.263 281 HB3 SER 679 1HB SER 679 -22.715 9.268 -2.703 282 HG SER 679 HG SER 679 -21.033 7.952 -2.999 283 H GLN 680 H GLN 680 -25.027 5.833 -4.209 284 HA GLN 680 HA GLN 680 -27.406 7.534 -4.448 285 HB2 GLN 680 2HB GLN 680 -26.005 5.679 -6.271 286 HB3 GLN 680 1HB GLN 680 -27.759 5.603 -6.327 287 HG2 GLN 680 2HG GLN 680 -27.154 7.140 -7.981 288 HG3 GLN 680 1HG GLN 680 -27.720 8.117 -6.628 289 HE21 GLN 680 1HE2 GLN 680 -25.015 7.208 -8.582 290 HE22 GLN 680 2HE2 GLN 680 -23.902 8.370 -7.942 291 H SER 681 H SER 681 -28.497 6.948 -2.599 292 HA SER 681 HA SER 681 -28.838 4.198 -1.835 293 HB2 SER 681 2HB SER 681 -30.652 6.004 -0.510 294 HB3 SER 681 1HB SER 681 -29.257 5.147 0.153 295 HG SER 681 HG SER 681 -28.357 7.041 0.249 296 H LYS 682 H LYS 682 -30.466 6.372 -3.899 297 HA LYS 682 HA LYS 682 -33.106 5.308 -3.611 298 HB2 LYS 682 2HB LYS 682 -32.096 7.583 -4.713 299 HB3 LYS 682 1HB LYS 682 -32.425 6.632 -6.155 300 HG2 LYS 682 2HG LYS 682 -34.726 6.282 -4.763 301 HG3 LYS 682 1HG LYS 682 -34.270 7.917 -4.278 302 HD2 LYS 682 2HD LYS 682 -33.966 7.413 -7.141 303 HD3 LYS 682 1HD LYS 682 -35.628 7.254 -6.570 304 HE2 LYS 682 2HE LYS 682 -34.598 9.553 -5.335 305 HE3 LYS 682 1HE LYS 682 -34.063 9.626 -7.013 306 HZ1 LYS 682 3HZ LYS 682 -36.710 9.923 -5.917 307 HZ2 LYS 682 1HZ LYS 682 -36.645 8.883 -7.255 308 HZ3 LYS 682 2HZ LYS 682 -36.076 10.473 -7.390 309 H LEU 683 H LEU 683 -30.330 4.115 -5.051 310 HA LEU 683 HA LEU 683 -31.367 2.904 -7.389 311 HB2 LEU 683 2HB LEU 683 -28.876 3.082 -6.045 312 HB3 LEU 683 1HB LEU 683 -29.212 1.380 -6.288 313 HG LEU 683 HG LEU 683 -29.548 1.857 -8.720 314 HD11 LEU 683 1HD1 LEU 683 -29.041 3.917 -9.674 315 HD12 LEU 683 2HD1 LEU 683 -29.969 4.350 -8.237 316 HD13 LEU 683 3HD1 LEU 683 -28.211 4.490 -8.229 317 HD21 LEU 683 3HD2 LEU 683 -26.951 2.631 -8.866 318 HD22 LEU 683 1HD2 LEU 683 -27.037 2.017 -7.215 319 HD23 LEU 683 2HD2 LEU 683 -27.491 0.980 -8.569 320 H GLY 684 H GLY 684 -33.033 1.537 -7.299 321 HA2 GLY 684 1HA GLY 684 -33.318 -0.933 -6.907 322 HA3 GLY 684 2HA GLY 684 -32.961 -0.571 -5.226 323 H GLY 685 H GLY 685 -34.549 2.026 -5.658 324 HA2 GLY 685 1HA GLY 685 -37.237 0.811 -5.539 325 HA3 GLY 685 2HA GLY 685 -36.688 1.909 -4.283 326 H GLY 901 H GLY 901 -36.537 1.954 -7.844 327 HA2 GLY 901 1HA GLY 901 -37.433 4.750 -7.738 328 HA3 GLY 901 2HA GLY 901 -36.625 3.978 -9.096 329 H GLY 902 H GLY 902 -39.626 3.640 -7.190 330 HA2 GLY 902 1HA GLY 902 -41.515 4.261 -8.956 331 HA3 GLY 902 2HA GLY 902 -41.012 2.692 -9.571 332 H SER 903 H SER 903 -43.257 2.113 -9.154 333 HA SER 903 HA SER 903 -43.636 1.295 -6.354 334 HB2 SER 903 2HB SER 903 -46.182 1.492 -7.561 335 HB3 SER 903 1HB SER 903 -45.517 2.520 -6.292 336 HG SER 903 HG SER 903 -45.196 4.060 -7.692 337 H GLY 904 H GLY 904 -45.934 -0.241 -6.753 338 HA2 GLY 904 1HA GLY 904 -46.786 -2.130 -7.831 339 HA3 GLY 904 2HA GLY 904 -45.426 -2.080 -8.945 340 H GLY 905 H GLY 905 -43.245 -2.283 -7.534 341 HA2 GLY 905 1HA GLY 905 -43.506 -4.296 -5.458 342 HA3 GLY 905 2HA GLY 905 -42.756 -4.846 -6.953 343 H HIS 906 H HIS 906 -40.893 -5.262 -5.549 344 HA HIS 906 HA HIS 906 -39.291 -2.810 -5.222 345 HB2 HIS 906 2HB HIS 906 -40.234 -4.265 -3.097 346 HB3 HIS 906 1HB HIS 906 -38.647 -4.985 -3.350 347 HD1 HIS 906 1HD HIS 906 -40.294 -2.068 -1.858 348 HD2 HIS 906 2HD HIS 906 -36.492 -3.067 -3.212 349 HE1 HIS 906 1HE HIS 906 -38.721 -0.349 -0.883 350 H MET 907 H MET 907 -38.045 -3.049 -6.998 351 HA MET 907 HA MET 907 -36.992 -5.500 -7.934 352 HB2 MET 907 2HB MET 907 -37.264 -3.201 -9.137 353 HB3 MET 907 1HB MET 907 -35.673 -2.859 -8.474 354 HG2 MET 907 2HG MET 907 -34.671 -4.069 -10.030 355 HG3 MET 907 1HG MET 907 -35.731 -5.447 -9.739 356 HE1 MET 907 3HE MET 907 -35.353 -2.131 -12.219 357 HE2 MET 907 1HE MET 907 -37.099 -1.887 -12.248 358 HE3 MET 907 2HE MET 907 -36.229 -1.856 -10.714 359 H GLY 908 H GLY 908 -35.540 -2.856 -6.057 360 HA2 GLY 908 1HA GLY 908 -33.893 -2.920 -4.452 361 HA3 GLY 908 2HA GLY 908 -33.975 -4.673 -4.513 362 H SER 909 H SER 909 -31.637 -4.475 -4.221 363 HA SER 909 HA SER 909 -30.164 -3.720 -6.624 364 HB2 SER 909 2HB SER 909 -28.483 -4.835 -4.593 365 HB3 SER 909 1HB SER 909 -28.565 -3.164 -5.148 366 HG SER 909 HG SER 909 -29.986 -2.677 -3.562 367 H GLY 910 H GLY 910 -29.241 -5.174 -7.984 368 HA2 GLY 910 1HA GLY 910 -30.111 -7.928 -7.716 369 HA3 GLY 910 2HA GLY 910 -29.326 -7.210 -9.115 370 H GLY 911 H GLY 911 -28.423 -7.618 -5.691 371 HA2 GLY 911 1HA GLY 911 -26.696 -9.529 -5.469 372 HA3 GLY 911 2HA GLY 911 -25.784 -8.544 -6.606 373 H LEU 18 H LEU 18 -26.656 -9.040 -3.348 374 HA LEU 18 HA LEU 18 -25.669 -6.424 -2.496 375 HB2 LEU 18 2HB LEU 18 -27.100 -8.676 -1.135 376 HB3 LEU 18 1HB LEU 18 -26.246 -7.478 -0.180 377 HG LEU 18 HG LEU 18 -27.777 -5.947 -1.907 378 HD11 LEU 18 1HD1 LEU 18 -30.078 -6.899 -1.482 379 HD12 LEU 18 2HD1 LEU 18 -29.105 -7.733 -2.695 380 HD13 LEU 18 3HD1 LEU 18 -29.275 -8.416 -1.077 381 HD21 LEU 18 3HD2 LEU 18 -28.890 -6.697 0.740 382 HD22 LEU 18 1HD2 LEU 18 -27.278 -5.982 0.692 383 HD23 LEU 18 2HD2 LEU 18 -28.653 -5.104 0.019 384 H SER 19 H SER 19 -24.079 -8.805 -3.602 385 HA SER 19 HA SER 19 -22.263 -9.362 -1.416 386 HB2 SER 19 2HB SER 19 -21.222 -10.206 -3.939 387 HB3 SER 19 1HB SER 19 -21.867 -11.202 -2.631 388 HG SER 19 HG SER 19 -22.994 -10.525 -5.029 389 H TRP 20 H TRP 20 -22.589 -7.232 -4.097 390 HA TRP 20 HA TRP 20 -21.279 -5.652 -5.070 391 HB2 TRP 20 2HB TRP 20 -19.870 -5.260 -2.452 392 HB3 TRP 20 1HB TRP 20 -20.400 -4.056 -3.618 393 HD1 TRP 20 HD TRP 20 -23.423 -4.489 -3.835 394 HE1 TRP 20 1HE TRP 20 -25.001 -4.179 -1.820 395 HE3 TRP 20 3HE TRP 20 -20.021 -5.031 -0.057 396 HZ2 TRP 20 2HZ TRP 20 -24.816 -4.167 1.001 397 HZ3 TRP 20 3HZ TRP 20 -20.801 -4.853 2.270 398 HH2 TRP 20 HH TRP 20 -23.149 -4.429 2.789 399 H LYS 21 H LYS 21 -18.574 -5.644 -3.101 400 HA LYS 21 HA LYS 21 -17.110 -7.404 -4.947 401 HB2 LYS 21 2HB LYS 21 -16.723 -4.637 -4.423 402 HB3 LYS 21 1HB LYS 21 -15.356 -5.498 -3.732 403 HG2 LYS 21 2HG LYS 21 -15.061 -4.716 -6.093 404 HG3 LYS 21 1HG LYS 21 -14.772 -6.435 -5.824 405 HD2 LYS 21 2HD LYS 21 -16.433 -7.032 -7.194 406 HD3 LYS 21 1HD LYS 21 -17.545 -5.858 -6.488 407 HE2 LYS 21 2HE LYS 21 -16.281 -4.098 -7.820 408 HE3 LYS 21 1HE LYS 21 -15.541 -5.441 -8.690 409 HZ1 LYS 21 3HZ LYS 21 -18.419 -4.719 -8.586 410 HZ2 LYS 21 1HZ LYS 21 -17.859 -6.198 -9.202 411 HZ3 LYS 21 2HZ LYS 21 -17.401 -4.741 -9.942 412 H ARG 22 H ARG 22 -15.739 -8.864 -4.066 413 HA ARG 22 HA ARG 22 -16.028 -9.292 -1.195 414 HB2 ARG 22 2HB ARG 22 -16.519 -11.151 -2.740 415 HB3 ARG 22 1HB ARG 22 -14.870 -11.081 -3.346 416 HG2 ARG 22 2HG ARG 22 -14.394 -12.633 -1.831 417 HG3 ARG 22 1HG ARG 22 -14.536 -11.355 -0.623 418 HD2 ARG 22 2HD ARG 22 -16.734 -11.950 -0.089 419 HD3 ARG 22 1HD ARG 22 -16.937 -12.881 -1.572 420 HE ARG 22 HE ARG 22 -15.539 -13.728 0.857 421 HH11 ARG 22 2HH1 ARG 22 -16.552 -14.451 -2.427 422 HH12 ARG 22 1HH1 ARG 22 -16.287 -16.160 -2.254 423 HH21 ARG 22 2HH2 ARG 22 -15.191 -15.958 1.071 424 HH22 ARG 22 1HH2 ARG 22 -15.530 -17.020 -0.266 425 H CYS 23 H CYS 23 -14.321 -9.470 0.223 426 HA CYS 23 HA CYS 23 -11.816 -8.266 -0.639 427 HB2 CYS 23 2HB CYS 23 -12.725 -7.384 1.409 428 HB3 CYS 23 1HB CYS 23 -12.898 -8.999 2.090 429 H ALA 24 H ALA 24 -9.781 -9.239 -0.184 430 HA ALA 24 HA ALA 24 -9.884 -12.178 0.069 431 HB1 ALA 24 1HB ALA 24 -7.623 -10.731 -1.267 432 HB2 ALA 24 2HB ALA 24 -8.126 -12.412 -1.438 433 HB3 ALA 24 3HB ALA 24 -9.098 -11.125 -2.152 434 H GLY 25 H GLY 25 -9.543 -9.806 1.997 435 HA2 GLY 25 1HA GLY 25 -6.947 -10.607 3.158 436 HA3 GLY 25 2HA GLY 25 -7.715 -9.047 3.399 437 H CYS 26 H CYS 26 -10.238 -9.630 4.224 438 HA CYS 26 HA CYS 26 -9.603 -10.835 6.805 439 HB2 CYS 26 2HB CYS 26 -11.827 -9.778 7.512 440 HB3 CYS 26 1HB CYS 26 -10.486 -8.695 7.175 441 H GLY 27 H GLY 27 -12.876 -10.595 5.678 442 HA2 GLY 27 1HA GLY 27 -13.170 -13.246 4.732 443 HA3 GLY 27 2HA GLY 27 -13.545 -13.198 6.450 444 H GLY 28 H GLY 28 -14.356 -11.728 3.339 445 HA2 GLY 28 1HA GLY 28 -17.008 -12.086 3.288 446 HA3 GLY 28 2HA GLY 28 -16.875 -10.727 4.393 447 H LYS 29 H LYS 29 -18.003 -9.385 2.961 448 HA LYS 29 HA LYS 29 -16.643 -8.767 0.440 449 HB2 LYS 29 2HB LYS 29 -18.712 -7.461 -0.079 450 HB3 LYS 29 1HB LYS 29 -18.986 -9.182 0.140 451 HG2 LYS 29 2HG LYS 29 -19.359 -8.074 2.667 452 HG3 LYS 29 1HG LYS 29 -20.127 -6.945 1.547 453 HD2 LYS 29 2HD LYS 29 -21.127 -9.129 0.503 454 HD3 LYS 29 1HD LYS 29 -20.763 -9.813 2.088 455 HE2 LYS 29 2HE LYS 29 -22.170 -8.265 3.184 456 HE3 LYS 29 1HE LYS 29 -22.321 -7.267 1.739 457 HZ1 LYS 29 3HZ LYS 29 -24.297 -8.639 2.188 458 HZ2 LYS 29 1HZ LYS 29 -23.362 -10.040 1.985 459 HZ3 LYS 29 2HZ LYS 29 -23.599 -8.979 0.681 460 H ILE 30 H ILE 30 -16.334 -6.518 -0.126 461 HA ILE 30 HA ILE 30 -15.156 -5.053 2.028 462 HB ILE 30 HB ILE 30 -15.599 -4.304 -0.867 463 HG12 ILE 30 2HG1 ILE 30 -12.906 -4.814 0.292 464 HG13 ILE 30 1HG1 ILE 30 -13.949 -6.210 0.038 465 HG21 ILE 30 1HG2 ILE 30 -15.289 -2.456 1.002 466 HG22 ILE 30 2HG2 ILE 30 -13.592 -2.901 0.814 467 HG23 ILE 30 3HG2 ILE 30 -14.512 -2.325 -0.576 468 HD11 ILE 30 3HD1 ILE 30 -12.807 -6.131 -1.939 469 HD12 ILE 30 1HD1 ILE 30 -14.242 -5.189 -2.341 470 HD13 ILE 30 2HD1 ILE 30 -12.731 -4.367 -1.954 471 H ALA 31 H ALA 31 -16.407 -4.055 3.464 472 HA ALA 31 HA ALA 31 -18.767 -2.610 2.483 473 HB1 ALA 31 1HB ALA 31 -18.200 -3.296 5.356 474 HB2 ALA 31 2HB ALA 31 -19.733 -2.812 4.627 475 HB3 ALA 31 3HB ALA 31 -19.045 -4.394 4.261 476 H ASP 32 H ASP 32 -15.737 -1.959 2.834 477 HA ASP 32 HA ASP 32 -15.810 0.390 4.522 478 HB2 ASP 32 2HB ASP 32 -13.751 -1.053 2.939 479 HB3 ASP 32 1HB ASP 32 -13.481 0.667 3.203 480 H ARG 33 H ARG 33 -17.324 -0.088 1.864 481 HA ARG 33 HA ARG 33 -18.209 1.167 0.222 482 HB2 ARG 33 2HB ARG 33 -18.307 3.059 1.724 483 HB3 ARG 33 1HB ARG 33 -16.608 3.418 1.447 484 HG2 ARG 33 2HG ARG 33 -17.205 4.777 -0.192 485 HG3 ARG 33 1HG ARG 33 -17.819 3.386 -1.083 486 HD2 ARG 33 2HD ARG 33 -19.269 5.416 0.522 487 HD3 ARG 33 1HD ARG 33 -19.707 4.663 -1.009 488 HE ARG 33 HE ARG 33 -20.019 2.594 0.577 489 HH11 ARG 33 2HH1 ARG 33 -20.939 5.931 1.131 490 HH12 ARG 33 1HH1 ARG 33 -22.225 5.528 2.230 491 HH21 ARG 33 2HH2 ARG 33 -21.694 2.058 2.015 492 HH22 ARG 33 1HH2 ARG 33 -22.644 3.314 2.755 493 H PHE 34 H PHE 34 -14.866 2.408 0.520 494 HA PHE 34 HA PHE 34 -14.634 2.141 -2.377 495 HB2 PHE 34 2HB PHE 34 -13.365 3.833 -0.319 496 HB3 PHE 34 1HB PHE 34 -12.306 3.314 -1.630 497 HD1 PHE 34 1HD PHE 34 -15.879 4.348 -1.450 498 HD2 PHE 34 2HD PHE 34 -12.049 4.976 -3.188 499 HE1 PHE 34 1HE PHE 34 -16.838 6.074 -2.908 500 HE2 PHE 34 2HE PHE 34 -12.996 6.714 -4.651 501 HZ PHE 34 HZ PHE 34 -15.393 7.263 -4.516 502 H LEU 35 H LEU 35 -13.535 0.601 -3.318 503 HA LEU 35 HA LEU 35 -11.909 -1.178 -1.660 504 HB2 LEU 35 2HB LEU 35 -12.030 -2.508 -3.967 505 HB3 LEU 35 1HB LEU 35 -13.267 -2.633 -2.733 506 HG LEU 35 HG LEU 35 -13.732 -0.491 -4.692 507 HD11 LEU 35 1HD1 LEU 35 -12.932 -1.896 -6.351 508 HD12 LEU 35 2HD1 LEU 35 -13.457 -3.354 -5.508 509 HD13 LEU 35 3HD1 LEU 35 -14.645 -2.312 -6.290 510 HD21 LEU 35 3HD2 LEU 35 -15.201 -1.708 -2.806 511 HD22 LEU 35 1HD2 LEU 35 -15.897 -0.933 -4.230 512 HD23 LEU 35 2HD2 LEU 35 -15.646 -2.680 -4.209 513 H LEU 36 H LEU 36 -9.840 -1.789 -2.291 514 HA LEU 36 HA LEU 36 -8.570 -0.009 -4.264 515 HB2 LEU 36 2HB LEU 36 -7.523 -0.846 -1.559 516 HB3 LEU 36 1HB LEU 36 -6.555 -0.039 -2.778 517 HG LEU 36 HG LEU 36 -8.839 1.560 -2.437 518 HD11 LEU 36 1HD1 LEU 36 -7.618 1.039 0.253 519 HD12 LEU 36 2HD1 LEU 36 -9.089 1.931 -0.147 520 HD13 LEU 36 3HD1 LEU 36 -9.056 0.173 -0.295 521 HD21 LEU 36 3HD2 LEU 36 -7.047 3.027 -1.263 522 HD22 LEU 36 1HD2 LEU 36 -5.939 1.741 -1.743 523 HD23 LEU 36 2HD2 LEU 36 -6.857 2.616 -2.968 524 H TYR 37 H TYR 37 -6.479 -0.839 -5.038 525 HA TYR 37 HA TYR 37 -6.478 -3.782 -5.203 526 HB2 TYR 37 2HB TYR 37 -6.422 -1.734 -7.252 527 HB3 TYR 37 1HB TYR 37 -5.005 -2.768 -7.362 528 HD1 TYR 37 1HD TYR 37 -5.536 -5.366 -7.216 529 HD2 TYR 37 2HD TYR 37 -8.321 -2.364 -8.360 530 HE1 TYR 37 1HE TYR 37 -6.876 -7.065 -8.378 531 HE2 TYR 37 2HE TYR 37 -9.671 -4.048 -9.518 532 HH TYR 37 HH TYR 37 -8.905 -6.605 -10.607 533 H ALA 38 H ALA 38 -4.478 -4.824 -5.164 534 HA ALA 38 HA ALA 38 -2.118 -3.171 -4.617 535 HB1 ALA 38 1HB ALA 38 -1.502 -5.044 -2.916 536 HB2 ALA 38 2HB ALA 38 -2.594 -3.749 -2.426 537 HB3 ALA 38 3HB ALA 38 -3.241 -5.326 -2.875 538 H MET 39 H MET 39 -2.367 -6.645 -4.282 539 HA MET 39 HA MET 39 -0.422 -7.027 -6.374 540 HB2 MET 39 2HB MET 39 -1.786 -8.838 -4.403 541 HB3 MET 39 1HB MET 39 -0.887 -9.511 -5.754 542 HG2 MET 39 2HG MET 39 0.720 -9.496 -4.138 543 HG3 MET 39 1HG MET 39 1.004 -7.928 -4.892 544 HE1 MET 39 3HE MET 39 0.127 -9.829 -1.645 545 HE2 MET 39 1HE MET 39 -0.891 -8.686 -0.770 546 HE3 MET 39 2HE MET 39 -1.492 -9.450 -2.243 547 H ASP 40 H ASP 40 -3.360 -8.941 -5.821 548 HA ASP 40 HA ASP 40 -4.157 -8.482 -8.610 549 HB2 ASP 40 2HB ASP 40 -4.199 -10.740 -9.170 550 HB3 ASP 40 1HB ASP 40 -2.758 -10.654 -8.162 551 H SER 41 H SER 41 -5.049 -8.485 -5.428 552 HA SER 41 HA SER 41 -7.750 -9.516 -5.952 553 HB2 SER 41 2HB SER 41 -7.129 -9.295 -3.152 554 HB3 SER 41 1HB SER 41 -7.509 -10.741 -4.093 555 HG SER 41 HG SER 41 -5.264 -10.757 -4.753 556 H TYR 42 H TYR 42 -9.431 -8.560 -4.440 557 HA TYR 42 HA TYR 42 -9.262 -5.656 -4.532 558 HB2 TYR 42 2HB TYR 42 -11.486 -7.625 -4.062 559 HB3 TYR 42 1HB TYR 42 -11.688 -5.933 -3.631 560 HD1 TYR 42 1HD TYR 42 -10.845 -4.294 -5.648 561 HD2 TYR 42 2HD TYR 42 -12.367 -8.243 -6.082 562 HE1 TYR 42 1HE TYR 42 -11.519 -3.775 -7.950 563 HE2 TYR 42 2HE TYR 42 -13.039 -7.737 -8.392 564 HH TYR 42 HH TYR 42 -12.828 -4.472 -9.690 565 H TRP 43 H TRP 43 -9.158 -4.364 -2.763 566 HA TRP 43 HA TRP 43 -9.278 -5.627 -0.112 567 HB2 TRP 43 2HB TRP 43 -7.191 -3.568 -0.840 568 HB3 TRP 43 1HB TRP 43 -7.282 -4.535 0.626 569 HD1 TRP 43 HD TRP 43 -6.234 -4.741 -3.045 570 HE1 TRP 43 1HE TRP 43 -4.780 -6.834 -3.366 571 HE3 TRP 43 3HE TRP 43 -6.808 -6.863 1.571 572 HZ2 TRP 43 2HZ TRP 43 -3.973 -9.082 -1.877 573 HZ3 TRP 43 3HZ TRP 43 -5.655 -8.991 2.041 574 HH2 TRP 43 HH TRP 43 -4.269 -10.071 0.347 575 H HIS 44 H HIS 44 -9.063 -3.750 1.579 576 HA HIS 44 HA HIS 44 -10.293 -1.267 0.727 577 HB2 HIS 44 2HB HIS 44 -11.920 -1.388 2.701 578 HB3 HIS 44 1HB HIS 44 -12.318 -2.364 1.297 579 HD1 HIS 44 1HD HIS 44 -13.122 -2.810 4.491 580 HD2 HIS 44 2HD HIS 44 -10.463 -4.961 2.122 581 HE1 HIS 44 1HE HIS 44 -12.862 -5.102 5.576 582 H SER 45 H SER 45 -10.494 0.153 2.873 583 HA SER 45 HA SER 45 -7.950 0.921 3.434 584 HB2 SER 45 2HB SER 45 -9.630 1.550 5.686 585 HB3 SER 45 1HB SER 45 -9.041 2.608 4.400 586 HG SER 45 HG SER 45 -11.469 1.251 4.646 587 H ARG 46 H ARG 46 -9.930 -1.175 5.540 588 HA ARG 46 HA ARG 46 -7.920 -1.191 7.575 589 HB2 ARG 46 2HB ARG 46 -9.422 -2.368 8.898 590 HB3 ARG 46 1HB ARG 46 -10.475 -1.422 7.856 591 HG2 ARG 46 2HG ARG 46 -11.532 -3.316 7.392 592 HG3 ARG 46 1HG ARG 46 -10.106 -3.792 6.470 593 HD2 ARG 46 2HD ARG 46 -9.180 -4.923 8.384 594 HD3 ARG 46 1HD ARG 46 -10.482 -4.323 9.415 595 HE ARG 46 HE ARG 46 -10.761 -6.351 7.296 596 HH11 ARG 46 2HH1 ARG 46 -11.915 -4.814 10.226 597 HH12 ARG 46 1HH1 ARG 46 -13.284 -5.884 10.391 598 HH21 ARG 46 2HH2 ARG 46 -12.588 -7.736 7.487 599 HH22 ARG 46 1HH2 ARG 46 -13.690 -7.498 8.817 600 H CYS 47 H CYS 47 -8.360 -3.067 4.743 601 HA CYS 47 HA CYS 47 -6.887 -5.306 5.929 602 HB2 CYS 47 2HB CYS 47 -8.838 -5.093 3.753 603 HB3 CYS 47 1HB CYS 47 -7.482 -6.168 3.427 604 H LEU 48 H LEU 48 -6.664 -2.877 3.394 605 HA LEU 48 HA LEU 48 -4.239 -3.974 2.327 606 HB2 LEU 48 2HB LEU 48 -6.029 -1.834 1.665 607 HB3 LEU 48 1HB LEU 48 -4.390 -1.218 1.714 608 HG LEU 48 HG LEU 48 -5.598 -3.231 -0.126 609 HD11 LEU 48 1HD1 LEU 48 -4.087 -1.928 -1.711 610 HD12 LEU 48 2HD1 LEU 48 -5.487 -1.089 -1.039 611 HD13 LEU 48 3HD1 LEU 48 -3.879 -0.790 -0.378 612 HD21 LEU 48 3HD2 LEU 48 -3.756 -4.468 -0.431 613 HD22 LEU 48 1HD2 LEU 48 -2.678 -3.084 -0.245 614 HD23 LEU 48 2HD2 LEU 48 -3.303 -3.912 1.181 615 H LYS 49 H LYS 49 -3.380 -4.227 4.537 616 HA LYS 49 HA LYS 49 -1.854 -1.850 5.326 617 HB2 LYS 49 2HB LYS 49 -2.121 -3.108 7.706 618 HB3 LYS 49 1HB LYS 49 -3.168 -1.801 7.175 619 HG2 LYS 49 2HG LYS 49 -4.716 -3.325 7.855 620 HG3 LYS 49 1HG LYS 49 -4.574 -3.766 6.154 621 HD2 LYS 49 2HD LYS 49 -3.343 -5.685 6.630 622 HD3 LYS 49 1HD LYS 49 -2.852 -5.093 8.216 623 HE2 LYS 49 2HE LYS 49 -4.443 -6.551 8.909 624 HE3 LYS 49 1HE LYS 49 -5.492 -5.168 8.602 625 HZ1 LYS 49 3HZ LYS 49 -4.968 -7.045 6.403 626 HZ2 LYS 49 1HZ LYS 49 -6.349 -6.120 6.728 627 HZ3 LYS 49 2HZ LYS 49 -6.040 -7.518 7.627 628 H CYS 50 H CYS 50 0.057 -2.364 6.548 629 HA CYS 50 HA CYS 50 1.626 -4.427 5.485 630 HB2 CYS 50 2HB CYS 50 2.421 -2.282 6.480 631 HB3 CYS 50 1HB CYS 50 1.984 -2.893 8.066 632 H SER 51 H SER 51 1.861 -6.503 6.055 633 HA SER 51 HA SER 51 0.248 -7.642 8.130 634 HB2 SER 51 2HB SER 51 2.511 -8.934 6.587 635 HB3 SER 51 1HB SER 51 1.224 -9.761 7.463 636 HG SER 51 HG SER 51 -0.039 -8.201 5.830 637 H SER 52 H SER 52 3.155 -6.001 8.166 638 HA SER 52 HA SER 52 4.227 -7.576 10.386 639 HB2 SER 52 2HB SER 52 5.411 -5.945 8.247 640 HB3 SER 52 1HB SER 52 6.170 -5.751 9.831 641 HG SER 52 HG SER 52 6.347 -8.064 9.901 642 H CYS 53 H CYS 53 3.607 -4.106 9.582 643 HA CYS 53 HA CYS 53 3.578 -3.666 12.499 644 HB2 CYS 53 2HB CYS 53 4.236 -1.372 12.137 645 HB3 CYS 53 1HB CYS 53 5.368 -2.435 11.311 646 H GLN 54 H GLN 54 1.570 -4.062 9.994 647 HA GLN 54 HA GLN 54 -0.644 -3.801 9.702 648 HB2 GLN 54 2HB GLN 54 -0.283 -3.569 12.515 649 HB3 GLN 54 1HB GLN 54 -1.498 -2.397 12.021 650 HG2 GLN 54 2HG GLN 54 -1.859 -5.009 10.793 651 HG3 GLN 54 1HG GLN 54 -1.932 -5.045 12.553 652 HE21 GLN 54 1HE2 GLN 54 -3.079 -2.973 9.911 653 HE22 GLN 54 2HE2 GLN 54 -4.692 -2.797 10.521 654 H ALA 55 H ALA 55 1.364 -1.551 9.209 655 HA ALA 55 HA ALA 55 -0.036 0.894 9.406 656 HB1 ALA 55 1HB ALA 55 2.130 -0.015 7.525 657 HB2 ALA 55 2HB ALA 55 1.500 1.632 7.566 658 HB3 ALA 55 3HB ALA 55 2.304 0.958 8.985 659 H GLN 56 H GLN 56 -1.886 1.434 8.440 660 HA GLN 56 HA GLN 56 -2.983 -0.159 6.318 661 HB2 GLN 56 2HB GLN 56 -3.900 2.231 7.879 662 HB3 GLN 56 1HB GLN 56 -4.743 1.787 6.402 663 HG2 GLN 56 2HG GLN 56 -5.147 -0.459 7.335 664 HG3 GLN 56 1HG GLN 56 -4.368 0.050 8.832 665 HE21 GLN 56 1HE2 GLN 56 -6.530 -0.687 9.636 666 HE22 GLN 56 2HE2 GLN 56 -7.791 0.502 9.709 667 H LEU 57 H LEU 57 -1.511 0.087 4.617 668 HA LEU 57 HA LEU 57 -0.709 2.662 3.657 669 HB2 LEU 57 2HB LEU 57 -0.514 0.075 2.132 670 HB3 LEU 57 1HB LEU 57 0.503 1.496 1.990 671 HG LEU 57 HG LEU 57 0.624 0.441 4.674 672 HD11 LEU 57 1HD1 LEU 57 0.296 -1.561 2.754 673 HD12 LEU 57 2HD1 LEU 57 2.027 -1.500 3.080 674 HD13 LEU 57 3HD1 LEU 57 0.889 -1.746 4.404 675 HD21 LEU 57 3HD2 LEU 57 2.854 0.415 2.689 676 HD22 LEU 57 1HD2 LEU 57 2.211 1.947 3.280 677 HD23 LEU 57 2HD2 LEU 57 2.890 0.778 4.414 678 H GLY 58 H GLY 58 -3.352 0.523 3.026 679 HA2 GLY 58 1HA GLY 58 -4.082 1.550 0.472 680 HA3 GLY 58 2HA GLY 58 -5.129 0.662 1.573 681 H ASP 59 H ASP 59 -4.240 2.848 3.596 682 HA ASP 59 HA ASP 59 -6.376 4.700 2.874 683 HB2 ASP 59 2HB ASP 59 -6.199 3.473 5.152 684 HB3 ASP 59 1HB ASP 59 -4.952 4.658 5.521 685 H ILE 60 H ILE 60 -3.338 4.501 2.165 686 HA ILE 60 HA ILE 60 -2.775 7.354 2.566 687 HB ILE 60 HB ILE 60 -0.664 5.275 2.060 688 HG12 ILE 60 2HG1 ILE 60 -1.326 6.453 4.757 689 HG13 ILE 60 1HG1 ILE 60 -1.973 4.909 4.219 690 HG21 ILE 60 1HG2 ILE 60 -0.637 8.153 2.921 691 HG22 ILE 60 2HG2 ILE 60 0.758 7.093 3.132 692 HG23 ILE 60 3HG2 ILE 60 0.132 7.418 1.513 693 HD11 ILE 60 3HD1 ILE 60 0.642 5.560 5.281 694 HD12 ILE 60 1HD1 ILE 60 -0.168 4.001 5.135 695 HD13 ILE 60 2HD1 ILE 60 0.733 4.658 3.767 696 H GLY 61 H GLY 61 -1.899 4.694 0.427 697 HA2 GLY 61 1HA GLY 61 -2.778 4.796 -1.880 698 HA3 GLY 61 2HA GLY 61 -2.392 6.510 -1.853 699 H THR 62 H THR 62 0.182 5.714 -0.368 700 HA THR 62 HA THR 62 1.824 5.619 -2.684 701 HB THR 62 HB THR 62 3.160 4.886 -0.194 702 HG1 THR 62 1HG THR 62 2.226 7.498 -0.050 703 HG21 THR 62 3HG2 THR 62 4.738 5.934 -1.374 704 HG22 THR 62 1HG2 THR 62 3.899 7.453 -1.061 705 HG23 THR 62 2HG2 THR 62 3.546 6.536 -2.525 706 H SER 63 H SER 63 3.118 3.968 -3.457 707 HA SER 63 HA SER 63 1.942 1.427 -3.444 708 HB2 SER 63 2HB SER 63 4.763 1.689 -4.333 709 HB3 SER 63 1HB SER 63 3.377 0.966 -5.155 710 HG SER 63 HG SER 63 2.916 2.829 -6.050 711 H SER 64 H SER 64 2.003 -0.041 -1.895 712 HA SER 64 HA SER 64 4.195 -0.285 -0.052 713 HB2 SER 64 2HB SER 64 2.578 -2.577 0.104 714 HB3 SER 64 1HB SER 64 2.485 -1.144 1.131 715 HG SER 64 HG SER 64 0.796 -1.992 -0.843 716 H TYR 65 H TYR 65 4.838 -2.820 0.254 717 HA TYR 65 HA TYR 65 5.744 -3.738 -2.398 718 HB2 TYR 65 2HB TYR 65 7.353 -3.620 0.163 719 HB3 TYR 65 1HB TYR 65 7.889 -4.412 -1.316 720 HD1 TYR 65 1HD TYR 65 7.123 -1.164 0.240 721 HD2 TYR 65 2HD TYR 65 8.716 -3.141 -3.169 722 HE1 TYR 65 1HE TYR 65 8.039 0.971 -0.561 723 HE2 TYR 65 2HE TYR 65 9.636 -1.012 -3.979 724 HH TYR 65 HH TYR 65 9.681 1.841 -2.016 725 H THR 66 H THR 66 6.523 -6.053 -2.324 726 HA THR 66 HA THR 66 5.408 -7.723 -0.269 727 HB THR 66 HB THR 66 3.437 -7.159 -1.746 728 HG1 THR 66 1HG THR 66 3.326 -9.027 -0.530 729 HG21 THR 66 3HG2 THR 66 4.038 -9.070 -3.810 730 HG22 THR 66 1HG2 THR 66 5.250 -7.787 -3.797 731 HG23 THR 66 2HG2 THR 66 3.541 -7.384 -3.961 732 H LYS 67 H LYS 67 5.582 -10.101 -1.050 733 HA LYS 67 HA LYS 67 7.466 -10.760 -3.066 734 HB2 LYS 67 2HB LYS 67 8.750 -9.829 -0.876 735 HB3 LYS 67 1HB LYS 67 8.575 -11.518 -0.420 736 HG2 LYS 67 2HG LYS 67 9.655 -12.162 -2.557 737 HG3 LYS 67 1HG LYS 67 9.920 -10.450 -2.893 738 HD2 LYS 67 2HD LYS 67 11.221 -10.279 -0.792 739 HD3 LYS 67 1HD LYS 67 11.022 -12.019 -0.565 740 HE2 LYS 67 2HE LYS 67 12.952 -12.202 -1.684 741 HE3 LYS 67 1HE LYS 67 11.985 -11.877 -3.122 742 HZ1 LYS 67 3HZ LYS 67 12.495 -9.399 -2.254 743 HZ2 LYS 67 1HZ LYS 67 13.449 -10.216 -3.392 744 HZ3 LYS 67 2HZ LYS 67 13.910 -10.193 -1.765 745 H SER 68 H SER 68 6.696 -12.011 0.178 746 HA SER 68 HA SER 68 6.000 -14.583 -1.010 747 HB2 SER 68 2HB SER 68 5.971 -14.125 1.942 748 HB3 SER 68 1HB SER 68 6.510 -15.537 1.026 749 HG SER 68 HG SER 68 8.361 -14.376 0.424 750 H GLY 69 H GLY 69 4.148 -12.582 -1.559 751 HA2 GLY 69 1HA GLY 69 1.839 -12.544 -1.708 752 HA3 GLY 69 2HA GLY 69 1.776 -13.833 -0.517 753 H MET 70 H MET 70 3.481 -12.123 1.312 754 HA MET 70 HA MET 70 1.265 -10.872 2.643 755 HB2 MET 70 2HB MET 70 4.108 -10.484 3.517 756 HB3 MET 70 1HB MET 70 2.652 -10.627 4.492 757 HG2 MET 70 2HG MET 70 2.527 -13.017 3.933 758 HG3 MET 70 1HG MET 70 4.022 -12.858 3.010 759 HE1 MET 70 3HE MET 70 6.753 -12.454 5.015 760 HE2 MET 70 1HE MET 70 6.308 -14.161 4.991 761 HE3 MET 70 2HE MET 70 5.971 -13.141 3.592 762 H ILE 71 H ILE 71 0.867 -8.729 2.921 763 HA ILE 71 HA ILE 71 2.239 -6.889 1.126 764 HB ILE 71 HB ILE 71 0.086 -5.942 2.952 765 HG12 ILE 71 2HG1 ILE 71 -1.354 -6.816 0.767 766 HG13 ILE 71 1HG1 ILE 71 -0.251 -8.157 1.061 767 HG21 ILE 71 1HG2 ILE 71 0.372 -5.459 0.008 768 HG22 ILE 71 2HG2 ILE 71 -0.418 -4.458 1.225 769 HG23 ILE 71 3HG2 ILE 71 1.341 -4.583 1.193 770 HD11 ILE 71 3HD1 ILE 71 -1.925 -8.799 2.430 771 HD12 ILE 71 1HD1 ILE 71 -1.072 -7.745 3.559 772 HD13 ILE 71 2HD1 ILE 71 -2.491 -7.150 2.695 773 H LEU 72 H LEU 72 3.813 -5.586 1.810 774 HA LEU 72 HA LEU 72 3.985 -5.017 4.690 775 HB2 LEU 72 2HB LEU 72 6.065 -6.135 2.855 776 HB3 LEU 72 1HB LEU 72 6.565 -5.088 4.170 777 HG LEU 72 HG LEU 72 5.098 -6.762 5.612 778 HD11 LEU 72 1HD1 LEU 72 5.069 -8.981 4.832 779 HD12 LEU 72 2HD1 LEU 72 4.422 -8.004 3.518 780 HD13 LEU 72 3HD1 LEU 72 6.083 -8.594 3.443 781 HD21 LEU 72 3HD2 LEU 72 7.209 -6.783 6.389 782 HD22 LEU 72 1HD2 LEU 72 7.352 -8.270 5.449 783 HD23 LEU 72 2HD2 LEU 72 7.911 -6.741 4.772 784 H CYS 73 H CYS 73 4.900 -3.029 5.246 785 HA CYS 73 HA CYS 73 4.535 -0.969 3.326 786 HB2 CYS 73 2HB CYS 73 5.211 0.561 5.086 787 HB3 CYS 73 1HB CYS 73 4.103 -0.640 5.738 788 H ARG 74 H ARG 74 6.285 0.749 3.094 789 HA ARG 74 HA ARG 74 8.423 -0.352 1.629 790 HB2 ARG 74 2HB ARG 74 9.256 2.194 2.062 791 HB3 ARG 74 1HB ARG 74 8.099 1.731 0.826 792 HG2 ARG 74 2HG ARG 74 6.713 2.148 3.281 793 HG3 ARG 74 1HG ARG 74 7.746 3.539 2.948 794 HD2 ARG 74 2HD ARG 74 6.746 3.321 0.539 795 HD3 ARG 74 1HD ARG 74 5.462 2.442 1.371 796 HE ARG 74 HE ARG 74 4.974 4.417 2.624 797 HH11 ARG 74 2HH1 ARG 74 7.172 4.850 -0.066 798 HH12 ARG 74 1HH1 ARG 74 7.011 6.580 -0.099 799 HH21 ARG 74 2HH2 ARG 74 4.727 6.685 2.575 800 HH22 ARG 74 1HH2 ARG 74 5.618 7.634 1.418 801 H ASN 75 H ASN 75 8.076 0.638 4.917 802 HA ASN 75 HA ASN 75 10.887 0.748 5.505 803 HB2 ASN 75 2HB ASN 75 8.838 1.903 6.709 804 HB3 ASN 75 1HB ASN 75 8.797 0.397 7.620 805 HD21 ASN 75 1HD2 ASN 75 9.879 0.444 9.439 806 HD22 ASN 75 2HD2 ASN 75 11.293 1.406 9.764 807 H ASP 76 H ASP 76 8.248 -1.530 6.025 808 HA ASP 76 HA ASP 76 9.808 -3.271 7.661 809 HB2 ASP 76 2HB ASP 76 7.053 -3.090 6.775 810 HB3 ASP 76 1HB ASP 76 7.641 -4.750 6.780 811 H TYR 77 H TYR 77 8.877 -3.256 4.254 812 HA TYR 77 HA TYR 77 9.532 -5.914 3.707 813 HB2 TYR 77 2HB TYR 77 8.306 -4.637 2.065 814 HB3 TYR 77 1HB TYR 77 9.656 -3.520 1.864 815 HD1 TYR 77 1HD TYR 77 9.069 -7.210 1.748 816 HD2 TYR 77 2HD TYR 77 10.966 -3.835 -0.004 817 HE1 TYR 77 1HE TYR 77 10.044 -8.664 0.027 818 HE2 TYR 77 2HE TYR 77 11.940 -5.278 -1.740 819 HH TYR 77 HH TYR 77 12.583 -7.702 -1.939 820 H ILE 78 H ILE 78 11.587 -3.013 3.646 821 HA ILE 78 HA ILE 78 13.876 -4.405 2.651 822 HB ILE 78 HB ILE 78 13.996 -1.852 4.246 823 HG12 ILE 78 2HG1 ILE 78 13.436 -2.091 1.281 824 HG13 ILE 78 1HG1 ILE 78 12.220 -1.693 2.490 825 HG21 ILE 78 1HG2 ILE 78 16.161 -2.233 3.797 826 HG22 ILE 78 2HG2 ILE 78 15.799 -3.359 2.489 827 HG23 ILE 78 3HG2 ILE 78 15.753 -1.622 2.195 828 HD11 ILE 78 3HD1 ILE 78 14.504 0.046 2.713 829 HD12 ILE 78 1HD1 ILE 78 13.836 0.073 1.082 830 HD13 ILE 78 2HD1 ILE 78 12.804 0.444 2.464 831 H ARG 79 H ARG 79 12.590 -3.721 5.820 832 HA ARG 79 HA ARG 79 14.895 -4.532 7.290 833 HB2 ARG 79 2HB ARG 79 12.240 -3.544 7.848 834 HB3 ARG 79 1HB ARG 79 12.606 -4.913 8.885 835 HG2 ARG 79 2HG ARG 79 14.852 -3.606 9.274 836 HG3 ARG 79 1HG ARG 79 13.871 -2.226 8.772 837 HD2 ARG 79 2HD ARG 79 12.167 -3.032 10.486 838 HD3 ARG 79 1HD ARG 79 13.447 -4.077 11.101 839 HE ARG 79 HE ARG 79 14.746 -1.951 11.431 840 HH11 ARG 79 2HH1 ARG 79 11.244 -1.984 11.414 841 HH12 ARG 79 1HH1 ARG 79 11.097 -0.573 12.423 842 HH21 ARG 79 2HH2 ARG 79 14.560 -0.111 12.776 843 HH22 ARG 79 1HH2 ARG 79 12.984 0.493 13.192 844 H LEU 80 H LEU 80 11.982 -6.112 6.130 845 HA LEU 80 HA LEU 80 12.497 -8.573 7.531 846 HB2 LEU 80 2HB LEU 80 10.273 -7.361 6.434 847 HB3 LEU 80 1HB LEU 80 10.585 -8.679 5.323 848 HG LEU 80 HG LEU 80 8.961 -9.260 7.089 849 HD11 LEU 80 1HD1 LEU 80 10.951 -11.109 7.945 850 HD12 LEU 80 2HD1 LEU 80 9.641 -11.345 6.787 851 HD13 LEU 80 3HD1 LEU 80 11.206 -10.742 6.239 852 HD21 LEU 80 3HD2 LEU 80 10.575 -7.863 8.770 853 HD22 LEU 80 1HD2 LEU 80 9.332 -9.003 9.287 854 HD23 LEU 80 2HD2 LEU 80 11.012 -9.525 9.167 855 H PHE 81 H PHE 81 12.242 -7.769 4.056 856 HA PHE 81 HA PHE 81 13.743 -10.241 3.495 857 HB2 PHE 81 2HB PHE 81 11.708 -8.733 1.850 858 HB3 PHE 81 1HB PHE 81 12.705 -10.026 1.192 859 HD1 PHE 81 1HD PHE 81 12.350 -12.329 1.856 860 HD2 PHE 81 2HD PHE 81 9.904 -9.194 3.374 861 HE1 PHE 81 1HE PHE 81 10.699 -13.985 2.615 862 HE2 PHE 81 2HE PHE 81 8.251 -10.850 4.138 863 HZ PHE 81 HZ PHE 81 8.650 -13.246 3.758 864 H GLY 82 H GLY 82 13.112 -7.382 1.502 865 HA2 GLY 82 1HA GLY 82 14.668 -5.940 0.506 866 HA3 GLY 82 2HA GLY 82 15.969 -6.891 1.221 Start of MODEL 19 1 H SER 641 1H SER 641 33.828 20.063 1.446 2 HA SER 641 HA SER 641 36.640 20.904 1.688 3 HB2 SER 641 2HB SER 641 35.966 18.009 1.694 4 HB3 SER 641 1HB SER 641 37.293 18.859 2.488 5 HG SER 641 HG SER 641 36.011 18.332 4.147 6 H LEU 642 H LEU 642 37.851 20.347 -0.145 7 HA LEU 642 HA LEU 642 36.287 19.879 -2.551 8 HB2 LEU 642 2HB LEU 642 39.272 20.218 -2.395 9 HB3 LEU 642 1HB LEU 642 38.217 20.538 -3.758 10 HG LEU 642 HG LEU 642 37.499 22.180 -1.482 11 HD11 LEU 642 1HD1 LEU 642 39.924 21.891 -0.997 12 HD12 LEU 642 2HD1 LEU 642 40.272 22.596 -2.575 13 HD13 LEU 642 3HD1 LEU 642 39.445 23.553 -1.344 14 HD21 LEU 642 3HD2 LEU 642 37.431 23.880 -3.094 15 HD22 LEU 642 1HD2 LEU 642 38.581 23.051 -4.142 16 HD23 LEU 642 2HD2 LEU 642 36.945 22.419 -3.956 17 H GLN 643 H GLN 643 38.498 18.277 -0.445 18 HA GLN 643 HA GLN 643 38.887 15.981 -2.146 19 HB2 GLN 643 2HB GLN 643 39.423 16.126 0.820 20 HB3 GLN 643 1HB GLN 643 40.196 15.091 -0.373 21 HG2 GLN 643 2HG GLN 643 41.848 16.594 -0.221 22 HG3 GLN 643 1HG GLN 643 40.852 17.505 -1.355 23 HE21 GLN 643 1HE2 GLN 643 42.660 17.869 1.254 24 HE22 GLN 643 2HE2 GLN 643 41.847 19.190 2.036 25 H ASN 644 H ASN 644 36.754 15.355 -2.572 26 HA ASN 644 HA ASN 644 34.834 14.895 -0.539 27 HB2 ASN 644 2HB ASN 644 34.713 15.090 -3.266 28 HB3 ASN 644 1HB ASN 644 34.496 13.358 -3.027 29 HD21 ASN 644 1HD2 ASN 644 32.373 13.819 -3.935 30 HD22 ASN 644 2HD2 ASN 644 31.117 14.352 -2.867 31 H ASN 645 H ASN 645 35.763 13.603 1.011 32 HA ASN 645 HA ASN 645 36.911 11.061 0.482 33 HB2 ASN 645 2HB ASN 645 37.158 12.511 2.597 34 HB3 ASN 645 1HB ASN 645 35.598 11.849 3.080 35 HD21 ASN 645 1HD2 ASN 645 38.833 10.869 2.006 36 HD22 ASN 645 2HD2 ASN 645 38.894 9.432 2.976 37 H GLN 646 H GLN 646 36.002 9.077 0.372 38 HA GLN 646 HA GLN 646 34.437 7.481 0.010 39 HB2 GLN 646 2HB GLN 646 33.284 9.060 2.128 40 HB3 GLN 646 1HB GLN 646 32.017 8.519 1.034 41 HG2 GLN 646 2HG GLN 646 32.149 6.850 2.643 42 HG3 GLN 646 1HG GLN 646 33.048 6.199 1.273 43 HE21 GLN 646 1HE2 GLN 646 33.120 6.978 4.549 44 HE22 GLN 646 2HE2 GLN 646 34.804 6.692 4.837 45 H ASP 647 H ASP 647 34.752 8.205 -2.173 46 HA ASP 647 HA ASP 647 32.994 10.078 -3.405 47 HB2 ASP 647 2HB ASP 647 35.286 9.454 -4.235 48 HB3 ASP 647 1HB ASP 647 34.610 7.916 -4.765 49 H VAL 648 H VAL 648 31.032 9.152 -2.493 50 HA VAL 648 HA VAL 648 29.701 7.527 -4.480 51 HB VAL 648 HB VAL 648 30.570 5.824 -2.913 52 HG11 VAL 648 1HG1 VAL 648 29.569 7.686 -0.929 53 HG12 VAL 648 2HG1 VAL 648 28.999 6.041 -0.650 54 HG13 VAL 648 3HG1 VAL 648 30.731 6.369 -0.763 55 HG21 VAL 648 3HG2 VAL 648 28.540 4.614 -2.602 56 HG22 VAL 648 1HG2 VAL 648 27.585 6.095 -2.614 57 HG23 VAL 648 2HG2 VAL 648 28.383 5.550 -4.090 58 H SER 649 H SER 649 29.655 9.455 -1.562 59 HA SER 649 HA SER 649 26.860 10.002 -1.593 60 HB2 SER 649 2HB SER 649 28.420 12.075 -0.332 61 HB3 SER 649 1HB SER 649 27.376 10.867 0.417 62 HG SER 649 HG SER 649 30.084 10.954 0.288 63 H PHE 650 H PHE 650 26.448 10.587 -3.754 64 HA PHE 650 HA PHE 650 27.870 12.540 -5.188 65 HB2 PHE 650 2HB PHE 650 25.569 10.870 -5.594 66 HB3 PHE 650 1HB PHE 650 25.220 12.501 -6.157 67 HD1 PHE 650 2HD PHE 650 27.722 9.772 -6.432 68 HD2 PHE 650 1HD PHE 650 25.975 13.208 -8.238 69 HE1 PHE 650 2HE PHE 650 28.963 9.307 -8.508 70 HE2 PHE 650 1HE PHE 650 27.209 12.751 -10.314 71 HZ PHE 650 HZ PHE 650 28.704 10.799 -10.451 72 H GLU 651 H GLU 651 27.995 14.628 -4.815 73 HA GLU 651 HA GLU 651 25.913 16.028 -3.339 74 HB2 GLU 651 2HB GLU 651 28.663 16.741 -4.315 75 HB3 GLU 651 1HB GLU 651 27.547 17.998 -3.799 76 HG2 GLU 651 2HG GLU 651 27.820 15.771 -1.917 77 HG3 GLU 651 1HG GLU 651 29.294 16.704 -2.174 78 H ASN 652 H ASN 652 26.778 15.326 -6.521 79 HA ASN 652 HA ASN 652 25.883 17.675 -7.835 80 HB2 ASN 652 2HB ASN 652 27.333 16.363 -9.104 81 HB3 ASN 652 1HB ASN 652 26.502 14.869 -8.697 82 HD21 ASN 652 1HD2 ASN 652 26.194 17.869 -10.525 83 HD22 ASN 652 2HD2 ASN 652 25.179 17.210 -11.772 84 H ILE 653 H ILE 653 24.278 14.710 -6.833 85 HA ILE 653 HA ILE 653 21.731 15.932 -7.634 86 HB ILE 653 HB ILE 653 20.952 13.471 -7.956 87 HG12 ILE 653 2HG1 ILE 653 23.508 12.774 -9.141 88 HG13 ILE 653 1HG1 ILE 653 23.652 13.000 -7.402 89 HG21 ILE 653 1HG2 ILE 653 21.432 13.597 -10.334 90 HG22 ILE 653 2HG2 ILE 653 20.983 15.181 -9.706 91 HG23 ILE 653 3HG2 ILE 653 22.676 14.809 -10.033 92 HD11 ILE 653 3HD1 ILE 653 23.199 10.679 -7.976 93 HD12 ILE 653 1HD1 ILE 653 21.879 11.376 -7.035 94 HD13 ILE 653 2HD1 ILE 653 21.704 11.163 -8.777 95 H GLN 654 H GLN 654 20.155 15.867 -6.131 96 HA GLN 654 HA GLN 654 20.501 14.063 -3.828 97 HB2 GLN 654 2HB GLN 654 20.167 17.026 -3.835 98 HB3 GLN 654 1HB GLN 654 19.377 16.111 -2.560 99 HG2 GLN 654 2HG GLN 654 22.317 16.091 -3.201 100 HG3 GLN 654 1HG GLN 654 21.550 16.911 -1.843 101 HE21 GLN 654 1HE2 GLN 654 23.304 14.302 -2.625 102 HE22 GLN 654 2HE2 GLN 654 22.802 13.212 -1.382 103 H TRP 655 H TRP 655 18.947 13.454 -5.973 104 HA TRP 655 HA TRP 655 16.236 14.326 -5.690 105 HB2 TRP 655 2HB TRP 655 17.663 12.267 -7.331 106 HB3 TRP 655 1HB TRP 655 15.909 12.192 -7.203 107 HD1 TRP 655 HD TRP 655 18.529 14.937 -8.075 108 HE1 TRP 655 1HE TRP 655 17.592 16.322 -10.032 109 HE3 TRP 655 3HE TRP 655 14.019 12.592 -8.624 110 HZ2 TRP 655 2HZ TRP 655 15.238 16.402 -11.602 111 HZ3 TRP 655 3HZ TRP 655 12.482 13.385 -10.375 112 HH2 TRP 655 HH TRP 655 13.080 15.252 -11.832 113 H SER 656 H SER 656 14.443 13.024 -5.039 114 HA SER 656 HA SER 656 15.130 11.134 -2.916 115 HB2 SER 656 2HB SER 656 12.343 11.617 -2.959 116 HB3 SER 656 1HB SER 656 13.523 12.248 -1.810 117 HG SER 656 HG SER 656 12.385 13.452 -4.069 118 H ILE 657 H ILE 657 15.631 9.857 -5.118 119 HA ILE 657 HA ILE 657 13.207 8.346 -5.821 120 HB ILE 657 HB ILE 657 14.048 7.879 -7.958 121 HG12 ILE 657 2HG1 ILE 657 16.388 7.343 -7.207 122 HG13 ILE 657 1HG1 ILE 657 16.291 8.211 -8.732 123 HG21 ILE 657 1HG2 ILE 657 13.268 10.203 -7.618 124 HG22 ILE 657 2HG2 ILE 657 14.951 10.700 -7.448 125 HG23 ILE 657 3HG2 ILE 657 14.384 10.011 -8.970 126 HD11 ILE 657 3HD1 ILE 657 18.031 8.859 -6.885 127 HD12 ILE 657 1HD1 ILE 657 17.248 10.093 -7.874 128 HD13 ILE 657 2HD1 ILE 657 16.669 9.772 -6.238 129 H ASP 658 H ASP 658 14.273 6.109 -6.924 130 HA ASP 658 HA ASP 658 14.991 4.537 -4.685 131 HB2 ASP 658 2HB ASP 658 13.864 3.772 -6.856 132 HB3 ASP 658 1HB ASP 658 15.476 3.757 -7.561 133 HA PRO 659 HA PRO 659 19.299 5.660 -4.523 134 HB2 PRO 659 2HB PRO 659 19.516 3.349 -2.710 135 HB3 PRO 659 1HB PRO 659 19.849 5.054 -2.398 136 HG2 PRO 659 2HG PRO 659 17.703 3.835 -1.350 137 HG3 PRO 659 1HG PRO 659 17.646 5.527 -1.878 138 HD2 PRO 659 2HD PRO 659 16.632 3.074 -3.265 139 HD3 PRO 659 1HD PRO 659 15.879 4.676 -3.114 140 H GLY 660 H GLY 660 18.003 2.661 -5.573 141 HA2 GLY 660 1HA GLY 660 19.262 1.752 -7.537 142 HA3 GLY 660 2HA GLY 660 20.684 1.828 -6.505 143 H ALA 661 H ALA 661 17.624 0.914 -5.169 144 HA ALA 661 HA ALA 661 18.686 -1.746 -4.601 145 HB1 ALA 661 1HB ALA 661 17.386 -1.746 -2.768 146 HB2 ALA 661 2HB ALA 661 17.271 -0.010 -3.058 147 HB3 ALA 661 3HB ALA 661 15.996 -1.088 -3.630 148 H ASP 662 H ASP 662 16.371 -0.122 -6.558 149 HA ASP 662 HA ASP 662 15.018 -0.768 -8.256 150 HB2 ASP 662 2HB ASP 662 17.260 -2.285 -8.587 151 HB3 ASP 662 1HB ASP 662 16.024 -3.533 -8.460 152 H LEU 663 H LEU 663 13.467 -0.721 -6.380 153 HA LEU 663 HA LEU 663 12.407 -3.385 -5.764 154 HB2 LEU 663 2HB LEU 663 11.630 -0.781 -4.469 155 HB3 LEU 663 1HB LEU 663 11.307 -2.402 -3.887 156 HG LEU 663 HG LEU 663 14.060 -1.179 -4.081 157 HD11 LEU 663 1HD1 LEU 663 12.729 -0.001 -2.433 158 HD12 LEU 663 2HD1 LEU 663 12.245 -1.531 -1.702 159 HD13 LEU 663 3HD1 LEU 663 13.931 -1.017 -1.635 160 HD21 LEU 663 3HD2 LEU 663 14.737 -3.075 -2.705 161 HD22 LEU 663 1HD2 LEU 663 13.091 -3.704 -2.751 162 HD23 LEU 663 2HD2 LEU 663 14.043 -3.617 -4.233 163 H SER 664 H SER 664 12.035 -1.584 -8.219 164 HA SER 664 HA SER 664 9.382 -0.654 -8.272 165 HB2 SER 664 2HB SER 664 10.381 -1.451 -10.872 166 HB3 SER 664 1HB SER 664 10.058 0.165 -10.243 167 HG SER 664 HG SER 664 12.411 -0.953 -10.679 168 H GLN 665 H GLN 665 10.781 -3.795 -8.895 169 HA GLN 665 HA GLN 665 8.499 -4.905 -10.206 170 HB2 GLN 665 2HB GLN 665 10.750 -6.300 -8.746 171 HB3 GLN 665 1HB GLN 665 9.612 -7.066 -9.844 172 HG2 GLN 665 2HG GLN 665 11.389 -6.786 -11.231 173 HG3 GLN 665 1HG GLN 665 10.529 -5.276 -11.528 174 HE21 GLN 665 1HE2 GLN 665 13.115 -5.347 -12.161 175 HE22 GLN 665 2HE2 GLN 665 14.056 -4.414 -11.039 176 H TYR 666 H TYR 666 9.458 -4.446 -6.904 177 HA TYR 666 HA TYR 666 7.418 -6.282 -5.911 178 HB2 TYR 666 2HB TYR 666 9.129 -4.566 -4.144 179 HB3 TYR 666 1HB TYR 666 8.456 -6.160 -3.827 180 HD1 TYR 666 1HD TYR 666 9.407 -8.103 -5.300 181 HD2 TYR 666 2HD TYR 666 11.354 -4.374 -4.723 182 HE1 TYR 666 1HE TYR 666 11.549 -9.134 -5.929 183 HE2 TYR 666 2HE TYR 666 13.502 -5.388 -5.352 184 HH TYR 666 HH TYR 666 14.461 -7.846 -5.259 185 H LYS 667 H LYS 667 7.712 -3.067 -6.788 186 HA LYS 667 HA LYS 667 6.095 -1.785 -4.860 187 HB2 LYS 667 2HB LYS 667 7.259 -1.122 -7.446 188 HB3 LYS 667 1HB LYS 667 5.644 -0.452 -7.255 189 HG2 LYS 667 2HG LYS 667 6.315 1.063 -5.763 190 HG3 LYS 667 1HG LYS 667 7.374 -0.079 -4.931 191 HD2 LYS 667 2HD LYS 667 9.076 0.212 -6.639 192 HD3 LYS 667 1HD LYS 667 8.004 1.279 -7.553 193 HE2 LYS 667 2HE LYS 667 8.133 2.973 -5.926 194 HE3 LYS 667 1HE LYS 667 8.822 1.880 -4.728 195 HZ1 LYS 667 3HZ LYS 667 10.795 2.639 -5.365 196 HZ2 LYS 667 1HZ LYS 667 10.146 3.451 -6.707 197 HZ3 LYS 667 2HZ LYS 667 10.585 1.819 -6.832 198 H MET 668 H MET 668 4.014 -2.053 -4.478 199 HA MET 668 HA MET 668 2.381 -3.422 -6.465 200 HB2 MET 668 2HB MET 668 0.660 -3.529 -4.671 201 HB3 MET 668 1HB MET 668 2.172 -4.315 -4.247 202 HG2 MET 668 2HG MET 668 2.806 -2.373 -2.911 203 HG3 MET 668 1HG MET 668 1.293 -1.582 -3.341 204 HE1 MET 668 3HE MET 668 2.410 -5.011 -2.618 205 HE2 MET 668 1HE MET 668 2.421 -4.978 -0.856 206 HE3 MET 668 2HE MET 668 1.068 -5.711 -1.716 207 H ASP 669 H ASP 669 1.119 -2.383 -7.811 208 HA ASP 669 HA ASP 669 0.725 0.457 -7.567 209 HB2 ASP 669 2HB ASP 669 0.996 -0.424 -9.792 210 HB3 ASP 669 1HB ASP 669 -0.324 -1.566 -9.554 211 H VAL 670 H VAL 670 -0.724 1.285 -6.235 212 HA VAL 670 HA VAL 670 -3.038 -0.250 -5.419 213 HB VAL 670 HB VAL 670 -2.481 2.639 -4.740 214 HG11 VAL 670 1HG1 VAL 670 -3.718 0.811 -2.798 215 HG12 VAL 670 2HG1 VAL 670 -4.134 2.473 -3.221 216 HG13 VAL 670 3HG1 VAL 670 -4.674 1.138 -4.242 217 HG21 VAL 670 3HG2 VAL 670 -0.786 0.510 -4.144 218 HG22 VAL 670 1HG2 VAL 670 -0.808 2.095 -3.370 219 HG23 VAL 670 2HG2 VAL 670 -1.729 0.760 -2.676 220 H THR 671 H THR 671 -4.324 -0.470 -7.183 221 HA THR 671 HA THR 671 -5.154 1.856 -8.702 222 HB THR 671 HB THR 671 -6.515 -0.757 -9.101 223 HG1 THR 671 1HG THR 671 -3.741 -0.347 -9.729 224 HG21 THR 671 3HG2 THR 671 -5.861 1.625 -10.594 225 HG22 THR 671 1HG2 THR 671 -7.014 0.348 -10.977 226 HG23 THR 671 2HG2 THR 671 -5.324 0.183 -11.455 227 H VAL 672 H VAL 672 -6.577 3.140 -7.752 228 HA VAL 672 HA VAL 672 -8.431 2.094 -5.782 229 HB VAL 672 HB VAL 672 -8.475 4.952 -6.669 230 HG11 VAL 672 1HG1 VAL 672 -8.960 5.333 -4.314 231 HG12 VAL 672 2HG1 VAL 672 -10.072 4.148 -5.000 232 HG13 VAL 672 3HG1 VAL 672 -8.737 3.616 -3.978 233 HG21 VAL 672 3HG2 VAL 672 -6.451 3.954 -4.682 234 HG22 VAL 672 1HG2 VAL 672 -6.067 4.158 -6.392 235 HG23 VAL 672 2HG2 VAL 672 -6.570 5.548 -5.428 236 H ILE 673 H ILE 673 -10.314 1.306 -6.369 237 HA ILE 673 HA ILE 673 -11.492 1.987 -8.928 238 HB ILE 673 HB ILE 673 -12.144 -0.013 -6.786 239 HG12 ILE 673 2HG1 ILE 673 -12.253 -1.144 -9.340 240 HG13 ILE 673 1HG1 ILE 673 -10.914 -0.002 -9.408 241 HG21 ILE 673 1HG2 ILE 673 -14.214 1.262 -7.785 242 HG22 ILE 673 2HG2 ILE 673 -13.924 0.201 -9.166 243 HG23 ILE 673 3HG2 ILE 673 -14.242 -0.491 -7.575 244 HD11 ILE 673 3HD1 ILE 673 -10.601 -1.356 -6.994 245 HD12 ILE 673 1HD1 ILE 673 -11.057 -2.587 -8.171 246 HD13 ILE 673 2HD1 ILE 673 -9.656 -1.557 -8.469 247 H ASP 674 H ASP 674 -12.881 3.600 -9.192 248 HA ASP 674 HA ASP 674 -14.069 4.984 -6.981 249 HB2 ASP 674 2HB ASP 674 -13.472 5.791 -9.455 250 HB3 ASP 674 1HB ASP 674 -15.138 5.307 -9.750 251 H THR 675 H THR 675 -15.389 3.661 -5.821 252 HA THR 675 HA THR 675 -16.969 1.602 -6.753 253 HB THR 675 HB THR 675 -18.064 3.052 -4.439 254 HG1 THR 675 1HG THR 675 -16.112 2.380 -3.207 255 HG21 THR 675 3HG2 THR 675 -17.720 0.361 -5.375 256 HG22 THR 675 1HG2 THR 675 -18.717 0.957 -4.049 257 HG23 THR 675 2HG2 THR 675 -17.034 0.522 -3.760 258 H LYS 676 H LYS 676 -18.886 1.417 -7.688 259 HA LYS 676 HA LYS 676 -20.425 3.866 -8.222 260 HB2 LYS 676 2HB LYS 676 -19.526 1.974 -9.960 261 HB3 LYS 676 1HB LYS 676 -21.140 1.364 -9.618 262 HG2 LYS 676 2HG LYS 676 -21.874 2.756 -11.176 263 HG3 LYS 676 1HG LYS 676 -21.521 4.063 -10.043 264 HD2 LYS 676 2HD LYS 676 -19.104 3.850 -11.016 265 HD3 LYS 676 1HD LYS 676 -19.929 3.081 -12.371 266 HE2 LYS 676 2HE LYS 676 -21.489 5.190 -12.188 267 HE3 LYS 676 1HE LYS 676 -20.078 5.890 -11.398 268 HZ1 LYS 676 3HZ LYS 676 -20.487 5.872 -14.047 269 HZ2 LYS 676 1HZ LYS 676 -19.508 4.495 -13.867 270 HZ3 LYS 676 2HZ LYS 676 -18.963 6.007 -13.318 271 H ASP 677 H ASP 677 -20.465 0.809 -6.697 272 HA ASP 677 HA ASP 677 -23.218 0.384 -6.385 273 HB2 ASP 677 2HB ASP 677 -20.881 -0.959 -5.662 274 HB3 ASP 677 1HB ASP 677 -21.652 -0.566 -4.128 275 H GLY 678 H GLY 678 -24.493 1.840 -5.561 276 HA2 GLY 678 1HA GLY 678 -25.349 2.564 -3.351 277 HA3 GLY 678 2HA GLY 678 -23.713 3.125 -3.025 278 H SER 679 H SER 679 -23.066 4.341 -5.392 279 HA SER 679 HA SER 679 -24.518 6.804 -5.138 280 HB2 SER 679 2HB SER 679 -22.748 6.939 -7.333 281 HB3 SER 679 1HB SER 679 -22.480 7.551 -5.699 282 HG SER 679 HG SER 679 -20.901 6.138 -5.764 283 H GLN 680 H GLN 680 -23.953 4.441 -7.733 284 HA GLN 680 HA GLN 680 -26.034 5.706 -9.343 285 HB2 GLN 680 2HB GLN 680 -23.739 3.973 -9.867 286 HB3 GLN 680 1HB GLN 680 -25.186 3.471 -10.730 287 HG2 GLN 680 2HG GLN 680 -23.998 4.929 -12.159 288 HG3 GLN 680 1HG GLN 680 -25.399 5.819 -11.566 289 HE21 GLN 680 1HE2 GLN 680 -24.526 7.830 -11.858 290 HE22 GLN 680 2HE2 GLN 680 -23.193 8.436 -10.921 291 H SER 681 H SER 681 -27.002 4.679 -7.030 292 HA SER 681 HA SER 681 -27.796 1.998 -7.025 293 HB2 SER 681 2HB SER 681 -29.784 3.380 -5.660 294 HB3 SER 681 1HB SER 681 -28.281 2.767 -4.966 295 HG SER 681 HG SER 681 -27.539 4.739 -4.835 296 H LYS 682 H LYS 682 -29.186 4.826 -8.510 297 HA LYS 682 HA LYS 682 -31.773 3.831 -9.016 298 HB2 LYS 682 2HB LYS 682 -30.656 6.253 -9.206 299 HB3 LYS 682 1HB LYS 682 -30.558 5.787 -10.900 300 HG2 LYS 682 2HG LYS 682 -32.758 6.027 -11.222 301 HG3 LYS 682 1HG LYS 682 -33.169 5.297 -9.669 302 HD2 LYS 682 2HD LYS 682 -33.667 7.342 -8.931 303 HD3 LYS 682 1HD LYS 682 -31.948 7.729 -9.036 304 HE2 LYS 682 2HE LYS 682 -32.764 9.378 -10.370 305 HE3 LYS 682 1HE LYS 682 -32.578 8.112 -11.579 306 HZ1 LYS 682 3HZ LYS 682 -35.125 8.218 -10.167 307 HZ2 LYS 682 1HZ LYS 682 -34.797 7.849 -11.789 308 HZ3 LYS 682 2HZ LYS 682 -34.812 9.465 -11.275 309 H LEU 683 H LEU 683 -28.753 3.487 -10.760 310 HA LEU 683 HA LEU 683 -30.194 2.277 -13.016 311 HB2 LEU 683 2HB LEU 683 -27.437 3.456 -12.777 312 HB3 LEU 683 1HB LEU 683 -27.932 2.501 -14.162 313 HG LEU 683 HG LEU 683 -29.910 4.499 -13.753 314 HD11 LEU 683 1HD1 LEU 683 -27.639 6.123 -14.383 315 HD12 LEU 683 2HD1 LEU 683 -28.851 6.343 -13.122 316 HD13 LEU 683 3HD1 LEU 683 -27.413 5.373 -12.803 317 HD21 LEU 683 3HD2 LEU 683 -28.859 3.262 -15.841 318 HD22 LEU 683 1HD2 LEU 683 -29.626 4.843 -15.990 319 HD23 LEU 683 2HD2 LEU 683 -27.868 4.720 -15.899 320 H GLY 684 H GLY 684 -28.189 1.529 -10.356 321 HA2 GLY 684 1HA GLY 684 -26.958 -0.809 -11.485 322 HA3 GLY 684 2HA GLY 684 -26.908 -0.311 -9.803 323 H GLY 685 H GLY 685 -30.091 -0.392 -10.857 324 HA2 GLY 685 1HA GLY 685 -30.683 -2.696 -9.261 325 HA3 GLY 685 2HA GLY 685 -31.829 -1.767 -10.217 326 H GLY 901 H GLY 901 -29.947 -4.602 -10.027 327 HA2 GLY 901 1HA GLY 901 -30.013 -5.270 -12.819 328 HA3 GLY 901 2HA GLY 901 -29.549 -6.333 -11.499 329 H GLY 902 H GLY 902 -32.297 -4.972 -13.236 330 HA2 GLY 902 1HA GLY 902 -33.752 -7.057 -13.852 331 HA3 GLY 902 2HA GLY 902 -34.038 -7.040 -12.117 332 H SER 903 H SER 903 -36.272 -6.696 -12.525 333 HA SER 903 HA SER 903 -36.845 -3.864 -13.077 334 HB2 SER 903 2HB SER 903 -39.085 -5.555 -13.774 335 HB3 SER 903 1HB SER 903 -38.256 -4.348 -14.754 336 HG SER 903 HG SER 903 -38.222 -6.922 -15.114 337 H GLY 904 H GLY 904 -36.806 -3.566 -10.796 338 HA2 GLY 904 1HA GLY 904 -39.357 -4.105 -9.553 339 HA3 GLY 904 2HA GLY 904 -38.021 -4.980 -8.819 340 H GLY 905 H GLY 905 -36.039 -3.491 -8.393 341 HA2 GLY 905 1HA GLY 905 -37.028 -0.929 -7.322 342 HA3 GLY 905 2HA GLY 905 -36.122 -2.037 -6.305 343 H HIS 906 H HIS 906 -34.274 -1.026 -5.921 344 HA HIS 906 HA HIS 906 -32.634 -0.237 -8.211 345 HB2 HIS 906 2HB HIS 906 -31.948 1.825 -7.113 346 HB3 HIS 906 1HB HIS 906 -33.697 1.805 -7.310 347 HD1 HIS 906 1HD HIS 906 -35.125 1.438 -5.060 348 HD2 HIS 906 2HD HIS 906 -31.038 2.053 -4.556 349 HE1 HIS 906 1HE HIS 906 -34.775 1.985 -2.614 350 H MET 907 H MET 907 -30.312 0.300 -7.336 351 HA MET 907 HA MET 907 -29.488 -2.055 -5.862 352 HB2 MET 907 2HB MET 907 -28.296 -1.144 -7.925 353 HB3 MET 907 1HB MET 907 -27.692 0.138 -6.884 354 HG2 MET 907 2HG MET 907 -26.072 -1.671 -7.161 355 HG3 MET 907 1HG MET 907 -26.567 -1.475 -5.481 356 HE1 MET 907 3HE MET 907 -25.069 -3.975 -6.908 357 HE2 MET 907 1HE MET 907 -25.367 -3.973 -5.170 358 HE3 MET 907 2HE MET 907 -25.852 -5.360 -6.145 359 H GLY 908 H GLY 908 -30.565 -1.332 -3.872 360 HA2 GLY 908 1HA GLY 908 -29.332 0.824 -2.390 361 HA3 GLY 908 2HA GLY 908 -30.543 -0.302 -1.788 362 H SER 909 H SER 909 -27.136 0.126 -2.491 363 HA SER 909 HA SER 909 -26.214 -2.368 -1.629 364 HB2 SER 909 2HB SER 909 -24.508 0.052 -1.272 365 HB3 SER 909 1HB SER 909 -24.119 -1.503 -2.012 366 HG SER 909 HG SER 909 -24.716 -0.753 -3.881 367 H GLY 910 H GLY 910 -26.935 -3.077 0.302 368 HA2 GLY 910 1HA GLY 910 -25.735 -1.795 2.637 369 HA3 GLY 910 2HA GLY 910 -27.474 -2.059 2.664 370 H GLY 911 H GLY 911 -27.960 -4.444 1.772 371 HA2 GLY 911 1HA GLY 911 -26.423 -6.191 3.576 372 HA3 GLY 911 2HA GLY 911 -28.069 -6.478 3.032 373 H LEU 18 H LEU 18 -26.546 -5.455 0.358 374 HA LEU 18 HA LEU 18 -26.491 -8.032 -0.820 375 HB2 LEU 18 2HB LEU 18 -25.439 -5.387 -1.816 376 HB3 LEU 18 1HB LEU 18 -25.527 -6.844 -2.786 377 HG LEU 18 HG LEU 18 -28.089 -6.165 -1.574 378 HD11 LEU 18 1HD1 LEU 18 -27.198 -4.281 -3.711 379 HD12 LEU 18 2HD1 LEU 18 -28.542 -4.138 -2.579 380 HD13 LEU 18 3HD1 LEU 18 -26.887 -3.910 -2.017 381 HD21 LEU 18 3HD2 LEU 18 -27.382 -6.366 -4.484 382 HD22 LEU 18 1HD2 LEU 18 -27.537 -7.792 -3.456 383 HD23 LEU 18 2HD2 LEU 18 -28.919 -6.721 -3.698 384 H SER 19 H SER 19 -24.402 -8.560 -2.241 385 HA SER 19 HA SER 19 -22.342 -8.985 -0.218 386 HB2 SER 19 2HB SER 19 -21.836 -10.443 -2.623 387 HB3 SER 19 1HB SER 19 -22.315 -11.068 -1.044 388 HG SER 19 HG SER 19 -24.136 -11.546 -1.977 389 H TRP 20 H TRP 20 -22.747 -7.753 -3.490 390 HA TRP 20 HA TRP 20 -21.414 -6.564 -4.886 391 HB2 TRP 20 2HB TRP 20 -19.777 -5.601 -2.567 392 HB3 TRP 20 1HB TRP 20 -20.288 -4.727 -4.006 393 HD1 TRP 20 HD TRP 20 -23.225 -4.564 -4.040 394 HE1 TRP 20 1HE TRP 20 -24.656 -3.680 -2.103 395 HE3 TRP 20 3HE TRP 20 -19.903 -5.176 -0.217 396 HZ2 TRP 20 2HZ TRP 20 -24.415 -3.270 0.673 397 HZ3 TRP 20 3HZ TRP 20 -20.575 -4.510 2.050 398 HH2 TRP 20 HH TRP 20 -22.790 -3.574 2.489 399 H LYS 21 H LYS 21 -18.610 -6.379 -3.017 400 HA LYS 21 HA LYS 21 -17.422 -8.642 -4.472 401 HB2 LYS 21 2HB LYS 21 -16.805 -5.945 -4.800 402 HB3 LYS 21 1HB LYS 21 -15.520 -6.559 -3.768 403 HG2 LYS 21 2HG LYS 21 -14.740 -6.799 -5.969 404 HG3 LYS 21 1HG LYS 21 -15.231 -8.417 -5.463 405 HD2 LYS 21 2HD LYS 21 -16.734 -8.549 -7.104 406 HD3 LYS 21 1HD LYS 21 -17.435 -6.988 -6.669 407 HE2 LYS 21 2HE LYS 21 -16.399 -5.953 -8.352 408 HE3 LYS 21 1HE LYS 21 -14.852 -6.699 -7.955 409 HZ1 LYS 21 3HZ LYS 21 -15.230 -7.596 -9.994 410 HZ2 LYS 21 1HZ LYS 21 -16.919 -7.587 -9.831 411 HZ3 LYS 21 2HZ LYS 21 -15.995 -8.774 -9.045 412 H ARG 22 H ARG 22 -16.350 -10.075 -3.290 413 HA ARG 22 HA ARG 22 -16.451 -9.966 -0.454 414 HB2 ARG 22 2HB ARG 22 -15.656 -11.882 -2.511 415 HB3 ARG 22 1HB ARG 22 -14.661 -11.976 -1.063 416 HG2 ARG 22 2HG ARG 22 -16.699 -13.473 -1.161 417 HG3 ARG 22 1HG ARG 22 -16.492 -12.503 0.298 418 HD2 ARG 22 2HD ARG 22 -17.964 -10.838 -1.291 419 HD3 ARG 22 1HD ARG 22 -18.587 -12.421 -1.749 420 HE ARG 22 HE ARG 22 -18.476 -11.547 1.062 421 HH11 ARG 22 2HH1 ARG 22 -20.211 -12.876 -1.681 422 HH12 ARG 22 1HH1 ARG 22 -21.646 -13.241 -0.757 423 HH21 ARG 22 2HH2 ARG 22 -20.358 -12.031 2.281 424 HH22 ARG 22 1HH2 ARG 22 -21.727 -12.765 1.491 425 H CYS 23 H CYS 23 -14.935 -9.431 1.018 426 HA CYS 23 HA CYS 23 -12.534 -8.149 0.011 427 HB2 CYS 23 2HB CYS 23 -12.651 -6.792 1.810 428 HB3 CYS 23 1HB CYS 23 -14.305 -7.366 1.901 429 H ALA 24 H ALA 24 -10.440 -8.789 0.549 430 HA ALA 24 HA ALA 24 -10.372 -11.680 0.601 431 HB1 ALA 24 1HB ALA 24 -8.539 -11.526 -0.682 432 HB2 ALA 24 2HB ALA 24 -9.115 -9.879 -0.933 433 HB3 ALA 24 3HB ALA 24 -7.856 -10.200 0.260 434 H GLY 25 H GLY 25 -8.891 -9.060 2.504 435 HA2 GLY 25 1HA GLY 25 -7.169 -10.798 3.970 436 HA3 GLY 25 2HA GLY 25 -7.549 -9.133 4.374 437 H CYS 26 H CYS 26 -9.899 -8.881 5.193 438 HA CYS 26 HA CYS 26 -10.150 -10.369 7.566 439 HB2 CYS 26 2HB CYS 26 -12.537 -8.941 6.537 440 HB3 CYS 26 1HB CYS 26 -11.783 -8.879 8.126 441 H GLY 27 H GLY 27 -11.613 -10.684 4.396 442 HA2 GLY 27 1HA GLY 27 -12.429 -12.686 3.505 443 HA3 GLY 27 2HA GLY 27 -12.477 -13.362 5.126 444 H GLY 28 H GLY 28 -13.942 -10.397 3.829 445 HA2 GLY 28 1HA GLY 28 -16.589 -11.594 4.346 446 HA3 GLY 28 2HA GLY 28 -16.189 -10.017 5.013 447 H LYS 29 H LYS 29 -16.900 -8.366 3.890 448 HA LYS 29 HA LYS 29 -16.706 -8.399 0.985 449 HB2 LYS 29 2HB LYS 29 -19.091 -7.285 1.015 450 HB3 LYS 29 1HB LYS 29 -18.927 -9.036 0.972 451 HG2 LYS 29 2HG LYS 29 -19.266 -9.123 3.396 452 HG3 LYS 29 1HG LYS 29 -19.456 -7.368 3.425 453 HD2 LYS 29 2HD LYS 29 -21.202 -8.439 1.443 454 HD3 LYS 29 1HD LYS 29 -21.428 -9.346 2.940 455 HE2 LYS 29 2HE LYS 29 -21.486 -7.013 4.055 456 HE3 LYS 29 1HE LYS 29 -21.796 -6.422 2.426 457 HZ1 LYS 29 3HZ LYS 29 -23.848 -7.323 2.386 458 HZ2 LYS 29 1HZ LYS 29 -23.723 -7.134 4.067 459 HZ3 LYS 29 2HZ LYS 29 -23.436 -8.648 3.354 460 H ILE 30 H ILE 30 -16.451 -6.344 0.104 461 HA ILE 30 HA ILE 30 -15.438 -4.430 1.985 462 HB ILE 30 HB ILE 30 -15.774 -4.208 -1.013 463 HG12 ILE 30 2HG1 ILE 30 -13.063 -4.323 -0.016 464 HG13 ILE 30 1HG1 ILE 30 -13.983 -5.720 0.536 465 HG21 ILE 30 1HG2 ILE 30 -13.956 -2.497 0.647 466 HG22 ILE 30 2HG2 ILE 30 -14.560 -2.221 -0.987 467 HG23 ILE 30 3HG2 ILE 30 -15.644 -2.048 0.396 468 HD11 ILE 30 3HD1 ILE 30 -12.688 -5.756 -1.747 469 HD12 ILE 30 1HD1 ILE 30 -14.256 -6.547 -1.572 470 HD13 ILE 30 2HD1 ILE 30 -14.151 -4.958 -2.330 471 H ALA 31 H ALA 31 -16.884 -3.405 3.178 472 HA ALA 31 HA ALA 31 -18.983 -1.889 1.782 473 HB1 ALA 31 1HB ALA 31 -20.521 -2.521 3.281 474 HB2 ALA 31 2HB ALA 31 -19.379 -3.779 3.753 475 HB3 ALA 31 3HB ALA 31 -19.426 -2.253 4.637 476 H ASP 32 H ASP 32 -16.094 -1.508 2.692 477 HA ASP 32 HA ASP 32 -16.072 0.526 4.665 478 HB2 ASP 32 2HB ASP 32 -14.177 -0.989 3.370 479 HB3 ASP 32 1HB ASP 32 -13.899 0.614 2.702 480 H ARG 33 H ARG 33 -14.867 1.063 1.407 481 HA ARG 33 HA ARG 33 -16.966 2.802 0.617 482 HB2 ARG 33 2HB ARG 33 -15.785 4.341 2.160 483 HB3 ARG 33 1HB ARG 33 -14.310 4.118 1.228 484 HG2 ARG 33 2HG ARG 33 -14.971 5.502 -0.408 485 HG3 ARG 33 1HG ARG 33 -16.646 4.954 -0.341 486 HD2 ARG 33 2HD ARG 33 -15.913 6.401 2.053 487 HD3 ARG 33 1HD ARG 33 -15.615 7.361 0.601 488 HE ARG 33 HE ARG 33 -17.898 7.332 0.114 489 HH11 ARG 33 2HH1 ARG 33 -17.174 5.609 3.082 490 HH12 ARG 33 1HH1 ARG 33 -18.831 5.511 3.577 491 HH21 ARG 33 2HH2 ARG 33 -20.082 7.214 0.775 492 HH22 ARG 33 1HH2 ARG 33 -20.484 6.413 2.273 493 H PHE 34 H PHE 34 -13.468 2.923 -0.023 494 HA PHE 34 HA PHE 34 -14.110 2.435 -2.834 495 HB2 PHE 34 2HB PHE 34 -12.067 4.039 -1.429 496 HB3 PHE 34 1HB PHE 34 -11.528 3.227 -2.898 497 HD1 PHE 34 1HD PHE 34 -14.615 5.016 -1.808 498 HD2 PHE 34 2HD PHE 34 -11.581 4.563 -4.755 499 HE1 PHE 34 1HE PHE 34 -15.697 6.742 -3.173 500 HE2 PHE 34 2HE PHE 34 -12.661 6.287 -6.132 501 HZ PHE 34 HZ PHE 34 -14.723 7.369 -5.349 502 H LEU 35 H LEU 35 -12.958 0.988 -4.074 503 HA LEU 35 HA LEU 35 -11.800 -1.241 -2.581 504 HB2 LEU 35 2HB LEU 35 -13.019 -0.905 -5.290 505 HB3 LEU 35 1HB LEU 35 -11.878 -2.211 -5.037 506 HG LEU 35 HG LEU 35 -13.464 -2.729 -2.971 507 HD11 LEU 35 1HD1 LEU 35 -14.901 -0.712 -4.416 508 HD12 LEU 35 2HD1 LEU 35 -15.794 -2.234 -4.449 509 HD13 LEU 35 3HD1 LEU 35 -15.322 -1.522 -2.907 510 HD21 LEU 35 3HD2 LEU 35 -12.951 -4.276 -4.780 511 HD22 LEU 35 1HD2 LEU 35 -14.673 -4.309 -4.403 512 HD23 LEU 35 2HD2 LEU 35 -14.100 -3.449 -5.832 513 H LEU 36 H LEU 36 -9.682 -1.594 -2.563 514 HA LEU 36 HA LEU 36 -8.030 -0.061 -4.464 515 HB2 LEU 36 2HB LEU 36 -7.037 -1.106 -1.832 516 HB3 LEU 36 1HB LEU 36 -6.379 0.186 -2.818 517 HG LEU 36 HG LEU 36 -9.099 0.679 -1.800 518 HD11 LEU 36 1HD1 LEU 36 -6.800 0.819 0.129 519 HD12 LEU 36 2HD1 LEU 36 -8.514 1.075 0.447 520 HD13 LEU 36 3HD1 LEU 36 -7.921 -0.543 0.076 521 HD21 LEU 36 3HD2 LEU 36 -7.022 2.598 -1.184 522 HD22 LEU 36 1HD2 LEU 36 -7.006 2.140 -2.887 523 HD23 LEU 36 2HD2 LEU 36 -8.478 2.786 -2.159 524 H TYR 37 H TYR 37 -6.624 -1.103 -5.707 525 HA TYR 37 HA TYR 37 -6.465 -4.010 -5.530 526 HB2 TYR 37 2HB TYR 37 -6.149 -2.002 -7.626 527 HB3 TYR 37 1HB TYR 37 -4.852 -3.190 -7.635 528 HD1 TYR 37 1HD TYR 37 -6.057 -5.692 -7.016 529 HD2 TYR 37 2HD TYR 37 -7.681 -2.466 -9.261 530 HE1 TYR 37 1HE TYR 37 -7.516 -7.268 -8.208 531 HE2 TYR 37 2HE TYR 37 -9.149 -4.028 -10.453 532 HH TYR 37 HH TYR 37 -9.378 -6.292 -10.982 533 H ALA 38 H ALA 38 -4.510 -5.124 -5.345 534 HA ALA 38 HA ALA 38 -2.129 -3.555 -4.660 535 HB1 ALA 38 1HB ALA 38 -1.633 -5.140 -2.820 536 HB2 ALA 38 2HB ALA 38 -3.077 -4.166 -2.539 537 HB3 ALA 38 3HB ALA 38 -3.234 -5.849 -3.047 538 H MET 39 H MET 39 -3.369 -6.825 -5.257 539 HA MET 39 HA MET 39 -1.031 -7.315 -6.957 540 HB2 MET 39 2HB MET 39 -1.853 -8.759 -4.541 541 HB3 MET 39 1HB MET 39 -1.585 -9.801 -5.931 542 HG2 MET 39 2HG MET 39 0.663 -9.109 -6.133 543 HG3 MET 39 1HG MET 39 0.420 -7.765 -5.015 544 HE1 MET 39 3HE MET 39 0.817 -8.226 -2.119 545 HE2 MET 39 1HE MET 39 -0.814 -8.291 -2.788 546 HE3 MET 39 2HE MET 39 -0.262 -9.548 -1.680 547 H ASP 40 H ASP 40 -3.836 -9.233 -5.932 548 HA ASP 40 HA ASP 40 -4.825 -9.200 -8.689 549 HB2 ASP 40 2HB ASP 40 -4.814 -11.488 -8.963 550 HB3 ASP 40 1HB ASP 40 -3.355 -11.280 -8.004 551 H SER 41 H SER 41 -5.456 -8.853 -5.437 552 HA SER 41 HA SER 41 -8.261 -9.660 -5.759 553 HB2 SER 41 2HB SER 41 -7.505 -9.262 -3.010 554 HB3 SER 41 1HB SER 41 -8.091 -10.727 -3.798 555 HG SER 41 HG SER 41 -5.861 -11.006 -4.559 556 H TYR 42 H TYR 42 -9.765 -8.380 -4.341 557 HA TYR 42 HA TYR 42 -9.127 -5.527 -4.574 558 HB2 TYR 42 2HB TYR 42 -11.860 -5.983 -3.853 559 HB3 TYR 42 1HB TYR 42 -11.220 -5.282 -5.333 560 HD1 TYR 42 2HD TYR 42 -12.334 -8.412 -3.729 561 HD2 TYR 42 1HD TYR 42 -11.116 -6.552 -7.360 562 HE1 TYR 42 2HE TYR 42 -13.133 -10.366 -4.992 563 HE2 TYR 42 1HE TYR 42 -11.910 -8.502 -8.631 564 HH TYR 42 HH TYR 42 -12.254 -11.114 -7.982 565 H TRP 43 H TRP 43 -8.891 -4.306 -2.820 566 HA TRP 43 HA TRP 43 -9.609 -5.496 -0.223 567 HB2 TRP 43 2HB TRP 43 -7.214 -3.710 -0.580 568 HB3 TRP 43 1HB TRP 43 -7.568 -4.819 0.738 569 HD1 TRP 43 HD TRP 43 -6.511 -4.924 -2.981 570 HE1 TRP 43 1HE TRP 43 -5.129 -7.053 -3.354 571 HE3 TRP 43 3HE TRP 43 -6.946 -7.015 1.667 572 HZ2 TRP 43 2HZ TRP 43 -4.316 -9.316 -1.884 573 HZ3 TRP 43 3HZ TRP 43 -5.831 -9.165 2.100 574 HH2 TRP 43 HH TRP 43 -4.543 -10.289 0.355 575 H HIS 44 H HIS 44 -9.695 -3.883 1.520 576 HA HIS 44 HA HIS 44 -10.334 -1.154 0.624 577 HB2 HIS 44 2HB HIS 44 -11.856 -1.013 2.661 578 HB3 HIS 44 1HB HIS 44 -12.444 -2.054 1.367 579 HD1 HIS 44 1HD HIS 44 -12.692 -2.106 4.803 580 HD2 HIS 44 2HD HIS 44 -11.036 -4.805 2.094 581 HE1 HIS 44 1HE HIS 44 -12.555 -4.367 5.996 582 H SER 45 H SER 45 -10.318 0.078 3.133 583 HA SER 45 HA SER 45 -7.550 0.378 3.486 584 HB2 SER 45 2HB SER 45 -8.760 1.396 5.794 585 HB3 SER 45 1HB SER 45 -8.375 2.286 4.320 586 HG SER 45 HG SER 45 -10.435 1.917 3.567 587 H ARG 46 H ARG 46 -9.939 -1.487 5.264 588 HA ARG 46 HA ARG 46 -8.108 -2.163 7.389 589 HB2 ARG 46 2HB ARG 46 -10.924 -2.303 6.943 590 HB3 ARG 46 1HB ARG 46 -10.349 -3.909 7.376 591 HG2 ARG 46 2HG ARG 46 -9.706 -1.438 8.955 592 HG3 ARG 46 1HG ARG 46 -11.089 -2.485 9.293 593 HD2 ARG 46 2HD ARG 46 -9.597 -4.369 9.659 594 HD3 ARG 46 1HD ARG 46 -8.204 -3.372 9.249 595 HE ARG 46 HE ARG 46 -8.621 -2.090 11.264 596 HH11 ARG 46 2HH1 ARG 46 -10.275 -5.170 10.982 597 HH12 ARG 46 1HH1 ARG 46 -10.526 -5.343 12.692 598 HH21 ARG 46 2HH2 ARG 46 -8.941 -2.307 13.505 599 HH22 ARG 46 1HH2 ARG 46 -9.744 -3.714 14.139 600 H CYS 47 H CYS 47 -8.708 -3.379 4.275 601 HA CYS 47 HA CYS 47 -7.744 -6.057 4.940 602 HB2 CYS 47 2HB CYS 47 -9.317 -4.918 2.819 603 HB3 CYS 47 1HB CYS 47 -7.918 -5.740 2.140 604 H LEU 48 H LEU 48 -6.911 -3.347 2.828 605 HA LEU 48 HA LEU 48 -4.304 -4.397 2.239 606 HB2 LEU 48 2HB LEU 48 -6.016 -2.263 1.294 607 HB3 LEU 48 1HB LEU 48 -4.379 -1.692 1.521 608 HG LEU 48 HG LEU 48 -5.435 -3.701 -0.411 609 HD11 LEU 48 1HD1 LEU 48 -4.962 -1.273 -0.930 610 HD12 LEU 48 2HD1 LEU 48 -3.254 -1.666 -0.739 611 HD13 LEU 48 3HD1 LEU 48 -4.207 -2.465 -1.988 612 HD21 LEU 48 3HD2 LEU 48 -3.682 -5.069 -0.370 613 HD22 LEU 48 1HD2 LEU 48 -2.544 -3.723 -0.303 614 HD23 LEU 48 2HD2 LEU 48 -3.257 -4.346 1.183 615 H LYS 49 H LYS 49 -3.447 -4.599 4.340 616 HA LYS 49 HA LYS 49 -2.306 -2.100 5.347 617 HB2 LYS 49 2HB LYS 49 -2.611 -3.460 7.676 618 HB3 LYS 49 1HB LYS 49 -3.731 -2.231 7.111 619 HG2 LYS 49 2HG LYS 49 -5.173 -3.915 7.658 620 HG3 LYS 49 1HG LYS 49 -4.903 -4.262 5.948 621 HD2 LYS 49 2HD LYS 49 -3.514 -6.073 6.412 622 HD3 LYS 49 1HD LYS 49 -3.186 -5.525 8.058 623 HE2 LYS 49 2HE LYS 49 -4.647 -7.257 8.447 624 HE3 LYS 49 1HE LYS 49 -5.752 -5.886 8.376 625 HZ1 LYS 49 3HZ LYS 49 -5.778 -6.574 5.843 626 HZ2 LYS 49 1HZ LYS 49 -6.813 -7.294 6.979 627 HZ3 LYS 49 2HZ LYS 49 -5.395 -8.093 6.493 628 H CYS 50 H CYS 50 -0.299 -2.445 6.546 629 HA CYS 50 HA CYS 50 1.338 -4.482 5.502 630 HB2 CYS 50 2HB CYS 50 2.273 -2.389 6.401 631 HB3 CYS 50 1HB CYS 50 1.724 -2.819 8.012 632 H SER 51 H SER 51 1.666 -6.532 6.130 633 HA SER 51 HA SER 51 -0.091 -7.733 8.018 634 HB2 SER 51 2HB SER 51 2.410 -9.032 6.940 635 HB3 SER 51 1HB SER 51 0.889 -9.796 7.398 636 HG SER 51 HG SER 51 0.947 -7.896 5.317 637 H SER 52 H SER 52 2.762 -6.026 8.361 638 HA SER 52 HA SER 52 3.431 -7.347 10.894 639 HB2 SER 52 2HB SER 52 5.309 -5.311 10.014 640 HB3 SER 52 1HB SER 52 5.588 -7.013 10.383 641 HG SER 52 HG SER 52 4.701 -5.882 7.932 642 H CYS 53 H CYS 53 2.770 -4.184 9.422 643 HA CYS 53 HA CYS 53 2.921 -2.818 11.972 644 HB2 CYS 53 2HB CYS 53 2.212 -1.938 9.177 645 HB3 CYS 53 1HB CYS 53 2.073 -0.862 10.562 646 H GLN 54 H GLN 54 0.464 -4.140 9.896 647 HA GLN 54 HA GLN 54 -1.787 -4.127 9.866 648 HB2 GLN 54 2HB GLN 54 -1.288 -3.542 12.759 649 HB3 GLN 54 1HB GLN 54 -2.927 -3.451 12.120 650 HG2 GLN 54 2HG GLN 54 -1.162 -5.852 11.785 651 HG3 GLN 54 1HG GLN 54 -2.252 -5.636 13.148 652 HE21 GLN 54 1HE2 GLN 54 -4.340 -4.344 11.613 653 HE22 GLN 54 2HE2 GLN 54 -5.065 -5.584 10.650 654 H ALA 55 H ALA 55 0.007 -1.616 9.658 655 HA ALA 55 HA ALA 55 -1.871 0.533 10.023 656 HB1 ALA 55 1HB ALA 55 -0.092 1.861 9.743 657 HB2 ALA 55 2HB ALA 55 0.874 0.387 9.757 658 HB3 ALA 55 3HB ALA 55 0.348 1.081 8.223 659 H GLN 56 H GLN 56 -3.244 1.336 8.551 660 HA GLN 56 HA GLN 56 -3.964 -0.342 6.379 661 HB2 GLN 56 2HB GLN 56 -5.005 2.447 6.552 662 HB3 GLN 56 1HB GLN 56 -5.853 0.953 6.190 663 HG2 GLN 56 2HG GLN 56 -4.926 0.765 8.846 664 HG3 GLN 56 1HG GLN 56 -5.669 2.353 8.654 665 HE21 GLN 56 1HE2 GLN 56 -7.823 2.297 7.481 666 HE22 GLN 56 2HE2 GLN 56 -8.905 1.018 7.934 667 H LEU 57 H LEU 57 -2.368 -0.455 4.848 668 HA LEU 57 HA LEU 57 -1.029 1.782 3.749 669 HB2 LEU 57 2HB LEU 57 -1.529 -0.842 2.351 670 HB3 LEU 57 1HB LEU 57 -0.226 0.291 2.050 671 HG LEU 57 HG LEU 57 -0.536 -1.215 4.645 672 HD11 LEU 57 1HD1 LEU 57 0.381 -2.147 2.071 673 HD12 LEU 57 2HD1 LEU 57 1.661 -2.220 3.283 674 HD13 LEU 57 3HD1 LEU 57 0.125 -3.039 3.570 675 HD21 LEU 57 3HD2 LEU 57 1.525 -0.399 5.246 676 HD22 LEU 57 1HD2 LEU 57 2.013 -0.100 3.576 677 HD23 LEU 57 2HD2 LEU 57 0.861 0.979 4.365 678 H GLY 58 H GLY 58 -4.138 0.388 3.237 679 HA2 GLY 58 1HA GLY 58 -4.638 1.665 0.715 680 HA3 GLY 58 2HA GLY 58 -5.836 0.927 1.766 681 H ASP 59 H ASP 59 -4.468 2.776 3.905 682 HA ASP 59 HA ASP 59 -6.245 5.035 3.368 683 HB2 ASP 59 2HB ASP 59 -5.386 3.635 5.793 684 HB3 ASP 59 1HB ASP 59 -5.318 5.386 5.940 685 H ILE 60 H ILE 60 -3.148 4.185 3.037 686 HA ILE 60 HA ILE 60 -2.197 6.968 3.036 687 HB ILE 60 HB ILE 60 -0.313 4.748 3.782 688 HG12 ILE 60 2HG1 ILE 60 -1.486 6.388 5.970 689 HG13 ILE 60 1HG1 ILE 60 -2.461 5.063 5.343 690 HG21 ILE 60 1HG2 ILE 60 1.123 6.415 4.417 691 HG22 ILE 60 2HG2 ILE 60 0.249 7.218 3.112 692 HG23 ILE 60 3HG2 ILE 60 -0.178 7.546 4.792 693 HD11 ILE 60 3HD1 ILE 60 -0.761 4.767 7.354 694 HD12 ILE 60 1HD1 ILE 60 -1.099 3.475 6.202 695 HD13 ILE 60 2HD1 ILE 60 0.352 4.461 6.022 696 H GLY 61 H GLY 61 -1.941 7.344 0.903 697 HA2 GLY 61 1HA GLY 61 -1.638 5.174 -0.952 698 HA3 GLY 61 2HA GLY 61 -1.747 6.878 -1.349 699 H THR 62 H THR 62 0.638 5.122 0.618 700 HA THR 62 HA THR 62 2.738 6.052 -1.225 701 HB THR 62 HB THR 62 3.495 4.704 1.303 702 HG1 THR 62 1HG THR 62 1.631 6.561 1.368 703 HG21 THR 62 3HG2 THR 62 4.405 7.321 0.119 704 HG22 THR 62 1HG2 THR 62 5.076 5.759 -0.351 705 HG23 THR 62 2HG2 THR 62 5.240 6.326 1.312 706 H SER 63 H SER 63 3.791 4.605 -2.490 707 HA SER 63 HA SER 63 2.772 2.078 -2.976 708 HB2 SER 63 2HB SER 63 5.582 2.232 -3.669 709 HB3 SER 63 1HB SER 63 4.171 2.184 -4.727 710 HG SER 63 HG SER 63 4.175 4.317 -4.866 711 H SER 64 H SER 64 2.711 0.415 -1.618 712 HA SER 64 HA SER 64 4.902 -0.142 0.198 713 HB2 SER 64 2HB SER 64 3.081 -2.240 0.354 714 HB3 SER 64 1HB SER 64 3.113 -0.818 1.394 715 HG SER 64 HG SER 64 1.272 -1.535 -0.429 716 H TYR 65 H TYR 65 5.203 -2.798 0.274 717 HA TYR 65 HA TYR 65 5.891 -3.550 -2.484 718 HB2 TYR 65 2HB TYR 65 7.730 -3.696 -0.092 719 HB3 TYR 65 1HB TYR 65 8.076 -4.401 -1.666 720 HD1 TYR 65 1HD TYR 65 8.013 -2.730 -3.682 721 HD2 TYR 65 2HD TYR 65 8.462 -1.557 0.377 722 HE1 TYR 65 1HE TYR 65 9.014 -0.610 -4.411 723 HE2 TYR 65 2HE TYR 65 9.468 0.567 -0.339 724 HH TYR 65 HH TYR 65 10.536 1.567 -2.190 725 H THR 66 H THR 66 6.110 -5.770 -2.877 726 HA THR 66 HA THR 66 5.523 -7.597 -0.671 727 HB THR 66 HB THR 66 3.402 -7.094 -2.004 728 HG1 THR 66 1HG THR 66 3.489 -8.931 -0.729 729 HG21 THR 66 3HG2 THR 66 4.384 -7.072 -4.238 730 HG22 THR 66 1HG2 THR 66 3.125 -8.300 -4.118 731 HG23 THR 66 2HG2 THR 66 4.824 -8.772 -4.073 732 H LYS 67 H LYS 67 6.108 -9.848 -1.221 733 HA LYS 67 HA LYS 67 7.814 -10.319 -3.472 734 HB2 LYS 67 2HB LYS 67 9.079 -9.012 -1.479 735 HB3 LYS 67 1HB LYS 67 9.307 -10.668 -0.935 736 HG2 LYS 67 2HG LYS 67 10.079 -11.030 -3.416 737 HG3 LYS 67 1HG LYS 67 10.377 -9.293 -3.343 738 HD2 LYS 67 2HD LYS 67 11.852 -9.569 -1.473 739 HD3 LYS 67 1HD LYS 67 11.440 -11.279 -1.339 740 HE2 LYS 67 2HE LYS 67 12.471 -10.399 -3.959 741 HE3 LYS 67 1HE LYS 67 13.620 -10.345 -2.621 742 HZ1 LYS 67 3HZ LYS 67 13.646 -12.577 -2.427 743 HZ2 LYS 67 1HZ LYS 67 13.219 -12.515 -4.068 744 HZ3 LYS 67 2HZ LYS 67 12.027 -12.775 -2.891 745 H SER 68 H SER 68 7.568 -11.463 -0.106 746 HA SER 68 HA SER 68 7.610 -14.209 -0.962 747 HB2 SER 68 2HB SER 68 6.948 -14.059 1.775 748 HB3 SER 68 1HB SER 68 8.535 -14.380 1.071 749 HG SER 68 HG SER 68 9.001 -12.576 2.079 750 H GLY 69 H GLY 69 5.240 -12.244 -1.429 751 HA2 GLY 69 1HA GLY 69 3.000 -12.747 -1.851 752 HA3 GLY 69 2HA GLY 69 3.170 -14.206 -0.886 753 H MET 70 H MET 70 4.385 -11.411 0.605 754 HA MET 70 HA MET 70 1.971 -11.241 2.283 755 HB2 MET 70 2HB MET 70 4.886 -11.149 2.908 756 HB3 MET 70 1HB MET 70 3.803 -10.176 3.893 757 HG2 MET 70 2HG MET 70 3.569 -11.997 5.138 758 HG3 MET 70 1HG MET 70 2.540 -12.603 3.842 759 HE1 MET 70 3HE MET 70 7.017 -13.155 3.976 760 HE2 MET 70 1HE MET 70 6.042 -11.931 4.793 761 HE3 MET 70 2HE MET 70 6.311 -13.499 5.555 762 H ILE 71 H ILE 71 1.169 -9.229 2.830 763 HA ILE 71 HA ILE 71 2.067 -7.001 1.179 764 HB ILE 71 HB ILE 71 -0.191 -6.877 3.161 765 HG12 ILE 71 2HG1 ILE 71 -0.927 -7.521 0.387 766 HG13 ILE 71 1HG1 ILE 71 -0.113 -8.831 1.239 767 HG21 ILE 71 1HG2 ILE 71 -1.082 -5.363 1.291 768 HG22 ILE 71 2HG2 ILE 71 0.256 -4.768 2.277 769 HG23 ILE 71 3HG2 ILE 71 0.565 -5.407 0.662 770 HD11 ILE 71 3HD1 ILE 71 -2.710 -7.496 1.889 771 HD12 ILE 71 1HD1 ILE 71 -2.370 -9.207 1.630 772 HD13 ILE 71 2HD1 ILE 71 -1.815 -8.415 3.102 773 H LEU 72 H LEU 72 3.752 -5.881 1.987 774 HA LEU 72 HA LEU 72 3.651 -5.172 4.841 775 HB2 LEU 72 2HB LEU 72 6.291 -5.471 3.497 776 HB3 LEU 72 1HB LEU 72 5.880 -5.632 5.193 777 HG LEU 72 HG LEU 72 4.836 -7.686 3.303 778 HD11 LEU 72 1HD1 LEU 72 7.048 -7.670 2.527 779 HD12 LEU 72 2HD1 LEU 72 7.701 -7.386 4.141 780 HD13 LEU 72 3HD1 LEU 72 7.001 -8.955 3.736 781 HD21 LEU 72 3HD2 LEU 72 4.276 -7.624 5.733 782 HD22 LEU 72 1HD2 LEU 72 5.053 -9.116 5.208 783 HD23 LEU 72 2HD2 LEU 72 5.981 -7.898 6.081 784 H CYS 73 H CYS 73 4.824 -3.212 5.375 785 HA CYS 73 HA CYS 73 4.380 -1.127 3.490 786 HB2 CYS 73 2HB CYS 73 5.370 0.329 5.211 787 HB3 CYS 73 1HB CYS 73 4.146 -0.741 5.889 788 H ARG 74 H ARG 74 6.292 0.539 3.272 789 HA ARG 74 HA ARG 74 8.200 -0.684 1.583 790 HB2 ARG 74 2HB ARG 74 8.968 1.965 2.538 791 HB3 ARG 74 1HB ARG 74 8.664 1.403 0.901 792 HG2 ARG 74 2HG ARG 74 6.701 2.421 0.865 793 HG3 ARG 74 1HG ARG 74 6.193 1.603 2.344 794 HD2 ARG 74 2HD ARG 74 7.695 3.349 3.531 795 HD3 ARG 74 1HD ARG 74 7.570 4.239 2.015 796 HE ARG 74 HE ARG 74 4.986 3.566 2.712 797 HH11 ARG 74 2HH1 ARG 74 7.616 5.425 4.110 798 HH12 ARG 74 1HH1 ARG 74 6.563 6.505 4.977 799 HH21 ARG 74 2HH2 ARG 74 3.602 4.998 3.830 800 HH22 ARG 74 1HH2 ARG 74 4.276 6.269 4.807 801 H ASN 75 H ASN 75 8.225 0.265 4.936 802 HA ASN 75 HA ASN 75 11.096 0.115 5.170 803 HB2 ASN 75 2HB ASN 75 9.552 1.628 6.545 804 HB3 ASN 75 1HB ASN 75 9.147 0.180 7.465 805 HD21 ASN 75 1HD2 ASN 75 10.642 -0.700 8.863 806 HD22 ASN 75 2HD2 ASN 75 12.125 0.099 9.271 807 H ASP 76 H ASP 76 8.313 -1.835 6.182 808 HA ASP 76 HA ASP 76 9.814 -3.739 7.629 809 HB2 ASP 76 2HB ASP 76 7.044 -3.437 6.754 810 HB3 ASP 76 1HB ASP 76 7.577 -5.116 6.795 811 H TYR 77 H TYR 77 8.818 -3.581 4.245 812 HA TYR 77 HA TYR 77 9.657 -6.180 3.544 813 HB2 TYR 77 2HB TYR 77 8.327 -5.110 1.913 814 HB3 TYR 77 1HB TYR 77 9.328 -3.658 1.921 815 HD1 TYR 77 1HD TYR 77 9.601 -7.313 1.203 816 HD2 TYR 77 2HD TYR 77 10.860 -3.372 0.198 817 HE1 TYR 77 1HE TYR 77 10.945 -8.219 -0.642 818 HE2 TYR 77 2HE TYR 77 12.203 -4.272 -1.653 819 HH TYR 77 HH TYR 77 13.357 -6.614 -2.097 820 H ILE 78 H ILE 78 11.365 -3.070 3.548 821 HA ILE 78 HA ILE 78 13.785 -4.038 2.472 822 HB ILE 78 HB ILE 78 13.051 -1.609 4.076 823 HG12 ILE 78 2HG1 ILE 78 14.358 -1.785 1.369 824 HG13 ILE 78 1HG1 ILE 78 12.616 -1.940 1.566 825 HG21 ILE 78 1HG2 ILE 78 15.715 -2.757 3.845 826 HG22 ILE 78 2HG2 ILE 78 15.619 -1.114 3.210 827 HG23 ILE 78 3HG2 ILE 78 15.133 -1.447 4.872 828 HD11 ILE 78 3HD1 ILE 78 14.295 0.422 1.582 829 HD12 ILE 78 1HD1 ILE 78 12.556 0.267 1.329 830 HD13 ILE 78 2HD1 ILE 78 13.206 0.352 2.966 831 H ARG 79 H ARG 79 12.590 -3.726 5.779 832 HA ARG 79 HA ARG 79 14.915 -4.544 7.122 833 HB2 ARG 79 2HB ARG 79 12.395 -3.745 7.865 834 HB3 ARG 79 1HB ARG 79 12.387 -5.445 8.312 835 HG2 ARG 79 2HG ARG 79 14.638 -3.651 9.135 836 HG3 ARG 79 1HG ARG 79 13.130 -3.711 10.051 837 HD2 ARG 79 2HD ARG 79 13.527 -6.297 9.948 838 HD3 ARG 79 1HD ARG 79 15.199 -5.826 9.652 839 HE ARG 79 HE ARG 79 13.644 -5.211 12.078 840 HH11 ARG 79 2HH1 ARG 79 16.704 -5.514 10.394 841 HH12 ARG 79 1HH1 ARG 79 17.657 -5.358 11.838 842 HH21 ARG 79 2HH2 ARG 79 14.898 -5.013 13.983 843 HH22 ARG 79 1HH2 ARG 79 16.637 -5.043 13.871 844 H LEU 80 H LEU 80 12.262 -6.352 5.687 845 HA LEU 80 HA LEU 80 13.154 -8.900 6.628 846 HB2 LEU 80 2HB LEU 80 10.895 -7.831 5.224 847 HB3 LEU 80 1HB LEU 80 11.502 -9.227 4.353 848 HG LEU 80 HG LEU 80 11.377 -10.498 6.540 849 HD11 LEU 80 1HD1 LEU 80 11.244 -8.304 7.861 850 HD12 LEU 80 2HD1 LEU 80 9.535 -8.305 7.428 851 HD13 LEU 80 3HD1 LEU 80 10.209 -9.639 8.366 852 HD21 LEU 80 3HD2 LEU 80 9.651 -10.413 4.608 853 HD22 LEU 80 1HD2 LEU 80 9.186 -11.134 6.148 854 HD23 LEU 80 2HD2 LEU 80 8.672 -9.495 5.753 855 H PHE 81 H PHE 81 13.188 -7.321 3.423 856 HA PHE 81 HA PHE 81 15.366 -9.158 2.660 857 HB2 PHE 81 2HB PHE 81 13.169 -8.172 0.824 858 HB3 PHE 81 1HB PHE 81 14.479 -9.265 0.393 859 HD1 PHE 81 2HD PHE 81 14.478 -11.565 1.144 860 HD2 PHE 81 1HD PHE 81 11.267 -8.933 2.066 861 HE1 PHE 81 2HE PHE 81 13.080 -13.492 1.758 862 HE2 PHE 81 1HE PHE 81 9.860 -10.856 2.676 863 HZ PHE 81 HZ PHE 81 10.766 -13.138 2.522 864 H GLY 82 H GLY 82 13.803 -6.484 0.952 865 HA2 GLY 82 1HA GLY 82 14.761 -4.324 0.595 866 HA3 GLY 82 2HA GLY 82 16.335 -4.995 1.012 Start of MODEL 20 1 H SER 641 1H SER 641 20.613 7.433 17.815 2 HA SER 641 HA SER 641 21.584 9.366 18.363 3 HB2 SER 641 2HB SER 641 24.200 9.406 17.386 4 HB3 SER 641 1HB SER 641 23.708 9.160 19.063 5 HG SER 641 HG SER 641 24.809 7.352 18.690 6 H LEU 642 H LEU 642 23.803 8.870 15.666 7 HA LEU 642 HA LEU 642 22.320 10.969 14.258 8 HB2 LEU 642 2HB LEU 642 25.105 10.386 14.681 9 HB3 LEU 642 1HB LEU 642 24.766 10.474 12.964 10 HG LEU 642 HG LEU 642 25.483 12.637 13.739 11 HD11 LEU 642 1HD1 LEU 642 23.105 12.164 12.381 12 HD12 LEU 642 2HD1 LEU 642 22.706 13.416 13.557 13 HD13 LEU 642 3HD1 LEU 642 24.027 13.667 12.414 14 HD21 LEU 642 3HD2 LEU 642 25.029 12.541 16.063 15 HD22 LEU 642 1HD2 LEU 642 24.068 13.870 15.411 16 HD23 LEU 642 2HD2 LEU 642 23.300 12.327 15.787 17 H GLN 643 H GLN 643 20.815 9.060 13.758 18 HA GLN 643 HA GLN 643 21.730 7.428 11.536 19 HB2 GLN 643 2HB GLN 643 20.058 6.704 13.398 20 HB3 GLN 643 1HB GLN 643 18.874 7.588 12.444 21 HG2 GLN 643 2HG GLN 643 19.384 6.186 10.510 22 HG3 GLN 643 1HG GLN 643 20.563 5.294 11.467 23 HE21 GLN 643 1HE2 GLN 643 17.151 6.061 11.137 24 HE22 GLN 643 2HE2 GLN 643 16.567 4.633 11.926 25 H ASN 644 H ASN 644 22.225 9.360 10.249 26 HA ASN 644 HA ASN 644 19.836 10.241 8.780 27 HB2 ASN 644 2HB ASN 644 21.189 11.948 10.377 28 HB3 ASN 644 1HB ASN 644 22.119 12.128 8.893 29 HD21 ASN 644 1HD2 ASN 644 21.246 14.354 9.125 30 HD22 ASN 644 2HD2 ASN 644 19.700 14.693 8.420 31 H ASN 645 H ASN 645 20.254 8.631 7.258 32 HA ASN 645 HA ASN 645 22.396 9.301 5.385 33 HB2 ASN 645 2HB ASN 645 23.452 7.516 6.532 34 HB3 ASN 645 1HB ASN 645 21.955 6.598 6.647 35 HD21 ASN 645 1HD2 ASN 645 22.119 4.829 5.478 36 HD22 ASN 645 2HD2 ASN 645 22.792 4.716 3.882 37 H GLN 646 H GLN 646 21.192 9.924 3.714 38 HA GLN 646 HA GLN 646 19.354 7.936 2.581 39 HB2 GLN 646 2HB GLN 646 18.714 10.720 3.386 40 HB3 GLN 646 1HB GLN 646 18.093 10.196 1.825 41 HG2 GLN 646 2HG GLN 646 17.562 8.961 4.512 42 HG3 GLN 646 1HG GLN 646 16.418 9.805 3.469 43 HE21 GLN 646 1HE2 GLN 646 18.112 6.847 4.066 44 HE22 GLN 646 2HE2 GLN 646 17.263 5.883 2.900 45 H ASP 647 H ASP 647 21.923 8.181 1.826 46 HA ASP 647 HA ASP 647 22.386 10.040 -0.262 47 HB2 ASP 647 2HB ASP 647 24.245 8.987 0.911 48 HB3 ASP 647 1HB ASP 647 23.728 7.398 0.353 49 H VAL 648 H VAL 648 21.500 10.062 -2.195 50 HA VAL 648 HA VAL 648 20.372 7.585 -3.289 51 HB VAL 648 HB VAL 648 19.442 9.365 -5.023 52 HG11 VAL 648 1HG1 VAL 648 18.200 7.857 -3.414 53 HG12 VAL 648 2HG1 VAL 648 18.208 9.210 -2.284 54 HG13 VAL 648 3HG1 VAL 648 17.397 9.368 -3.840 55 HG21 VAL 648 3HG2 VAL 648 19.202 11.153 -2.698 56 HG22 VAL 648 1HG2 VAL 648 20.802 11.097 -3.439 57 HG23 VAL 648 2HG2 VAL 648 19.393 11.533 -4.409 58 H SER 649 H SER 649 21.125 6.693 -5.116 59 HA SER 649 HA SER 649 23.620 7.675 -6.182 60 HB2 SER 649 2HB SER 649 22.342 5.413 -7.557 61 HB3 SER 649 1HB SER 649 23.944 5.527 -6.828 62 HG SER 649 HG SER 649 22.839 5.308 -4.756 63 H PHE 650 H PHE 650 23.865 8.829 -7.999 64 HA PHE 650 HA PHE 650 21.465 9.285 -9.648 65 HB2 PHE 650 2HB PHE 650 23.727 11.109 -8.853 66 HB3 PHE 650 1HB PHE 650 22.728 11.449 -10.263 67 HD1 PHE 650 1HD PHE 650 20.070 11.022 -9.628 68 HD2 PHE 650 2HD PHE 650 23.155 12.342 -7.010 69 HE1 PHE 650 1HE PHE 650 18.385 12.090 -8.192 70 HE2 PHE 650 2HE PHE 650 21.471 13.411 -5.568 71 HZ PHE 650 HZ PHE 650 19.083 13.287 -6.159 72 H GLU 651 H GLU 651 21.942 9.862 -11.936 73 HA GLU 651 HA GLU 651 23.555 7.869 -13.137 74 HB2 GLU 651 2HB GLU 651 21.577 8.651 -14.256 75 HB3 GLU 651 1HB GLU 651 22.171 10.304 -14.261 76 HG2 GLU 651 2HG GLU 651 24.149 8.969 -15.596 77 HG3 GLU 651 1HG GLU 651 22.694 8.117 -16.113 78 H ASN 652 H ASN 652 24.028 11.321 -12.555 79 HA ASN 652 HA ASN 652 26.451 11.499 -14.046 80 HB2 ASN 652 2HB ASN 652 24.774 13.285 -12.605 81 HB3 ASN 652 1HB ASN 652 26.409 13.460 -11.973 82 HD21 ASN 652 1HD2 ASN 652 28.030 14.240 -13.295 83 HD22 ASN 652 2HD2 ASN 652 27.700 14.994 -14.824 84 H ILE 653 H ILE 653 25.670 10.434 -10.861 85 HA ILE 653 HA ILE 653 28.540 10.210 -10.222 86 HB ILE 653 HB ILE 653 26.407 9.995 -8.120 87 HG12 ILE 653 2HG1 ILE 653 27.727 12.632 -8.498 88 HG13 ILE 653 1HG1 ILE 653 26.430 12.225 -9.614 89 HG21 ILE 653 1HG2 ILE 653 28.361 11.048 -6.802 90 HG22 ILE 653 2HG2 ILE 653 28.469 9.351 -7.275 91 HG23 ILE 653 3HG2 ILE 653 29.342 10.580 -8.191 92 HD11 ILE 653 3HD1 ILE 653 25.446 13.433 -7.852 93 HD12 ILE 653 1HD1 ILE 653 25.005 11.743 -7.594 94 HD13 ILE 653 2HD1 ILE 653 26.286 12.480 -6.630 95 H GLN 654 H GLN 654 28.465 8.263 -11.562 96 HA GLN 654 HA GLN 654 26.955 6.040 -10.381 97 HB2 GLN 654 2HB GLN 654 28.091 6.546 -13.108 98 HB3 GLN 654 1HB GLN 654 27.736 4.904 -12.587 99 HG2 GLN 654 2HG GLN 654 25.712 7.121 -12.527 100 HG3 GLN 654 1HG GLN 654 25.946 6.063 -13.915 101 HE21 GLN 654 1HE2 GLN 654 24.353 6.497 -11.008 102 HE22 GLN 654 2HE2 GLN 654 23.691 4.905 -10.834 103 H TRP 655 H TRP 655 28.348 5.619 -8.652 104 HA TRP 655 HA TRP 655 30.973 4.555 -9.403 105 HB2 TRP 655 2HB TRP 655 31.349 4.401 -6.912 106 HB3 TRP 655 1HB TRP 655 31.157 6.031 -7.538 107 HD1 TRP 655 HD TRP 655 28.481 7.016 -7.197 108 HE1 TRP 655 1HE TRP 655 27.036 6.832 -5.066 109 HE3 TRP 655 3HE TRP 655 30.888 3.117 -4.925 110 HZ2 TRP 655 2HZ TRP 655 26.946 5.242 -2.738 111 HZ3 TRP 655 3HZ TRP 655 30.061 2.328 -2.746 112 HH2 TRP 655 HH TRP 655 28.131 3.371 -1.677 113 H SER 656 H SER 656 31.202 2.647 -7.306 114 HA SER 656 HA SER 656 29.872 0.459 -8.543 115 HB2 SER 656 2HB SER 656 30.928 -0.160 -5.919 116 HB3 SER 656 1HB SER 656 31.476 -0.711 -7.504 117 HG SER 656 HG SER 656 33.074 0.632 -7.352 118 H ILE 657 H ILE 657 27.664 0.806 -8.372 119 HA ILE 657 HA ILE 657 26.541 0.612 -5.652 120 HB ILE 657 HB ILE 657 24.458 1.619 -6.663 121 HG12 ILE 657 2HG1 ILE 657 25.916 2.985 -8.781 122 HG13 ILE 657 1HG1 ILE 657 25.840 1.248 -9.054 123 HG21 ILE 657 1HG2 ILE 657 26.074 2.871 -5.267 124 HG22 ILE 657 2HG2 ILE 657 26.902 3.380 -6.738 125 HG23 ILE 657 3HG2 ILE 657 25.238 3.884 -6.443 126 HD11 ILE 657 3HD1 ILE 657 23.709 3.272 -9.114 127 HD12 ILE 657 1HD1 ILE 657 23.903 1.788 -10.049 128 HD13 ILE 657 2HD1 ILE 657 23.285 1.718 -8.396 129 H ASP 658 H ASP 658 24.468 -0.544 -5.511 130 HA ASP 658 HA ASP 658 24.537 -3.026 -6.938 131 HB2 ASP 658 2HB ASP 658 23.735 -2.654 -4.534 132 HB3 ASP 658 1HB ASP 658 22.248 -2.030 -5.240 133 HA PRO 659 HA PRO 659 22.194 -1.549 -10.428 134 HB2 PRO 659 2HB PRO 659 21.985 -4.395 -11.130 135 HB3 PRO 659 1HB PRO 659 22.758 -3.075 -12.009 136 HG2 PRO 659 2HG PRO 659 24.198 -4.993 -10.801 137 HG3 PRO 659 1HG PRO 659 24.756 -3.312 -10.884 138 HD2 PRO 659 2HD PRO 659 23.473 -4.771 -8.601 139 HD3 PRO 659 1HD PRO 659 24.848 -3.644 -8.588 140 H GLY 660 H GLY 660 21.120 -3.698 -7.999 141 HA2 GLY 660 1HA GLY 660 18.348 -3.474 -8.998 142 HA3 GLY 660 2HA GLY 660 18.930 -4.826 -8.036 143 H ALA 661 H ALA 661 19.782 -1.482 -7.441 144 HA ALA 661 HA ALA 661 19.035 -1.600 -4.719 145 HB1 ALA 661 1HB ALA 661 19.414 0.884 -4.788 146 HB2 ALA 661 2HB ALA 661 20.765 -0.099 -5.355 147 HB3 ALA 661 3HB ALA 661 19.719 0.714 -6.517 148 H ASP 662 H ASP 662 17.346 -0.700 -7.603 149 HA ASP 662 HA ASP 662 15.067 0.300 -6.073 150 HB2 ASP 662 2HB ASP 662 15.686 1.540 -8.103 151 HB3 ASP 662 1HB ASP 662 15.490 0.082 -9.069 152 H LEU 663 H LEU 663 13.610 -1.107 -5.379 153 HA LEU 663 HA LEU 663 13.587 -3.816 -6.361 154 HB2 LEU 663 2HB LEU 663 11.597 -2.634 -4.437 155 HB3 LEU 663 1HB LEU 663 12.124 -4.302 -4.573 156 HG LEU 663 HG LEU 663 14.269 -2.405 -3.914 157 HD11 LEU 663 1HD1 LEU 663 11.943 -1.850 -2.646 158 HD12 LEU 663 2HD1 LEU 663 12.631 -3.066 -1.571 159 HD13 LEU 663 3HD1 LEU 663 13.545 -1.606 -1.946 160 HD21 LEU 663 3HD2 LEU 663 13.539 -5.182 -3.508 161 HD22 LEU 663 1HD2 LEU 663 15.127 -4.412 -3.475 162 HD23 LEU 663 2HD2 LEU 663 14.122 -4.423 -2.027 163 H SER 664 H SER 664 13.031 -2.755 -8.554 164 HA SER 664 HA SER 664 10.527 -1.657 -9.107 165 HB2 SER 664 2HB SER 664 11.762 -3.315 -11.225 166 HB3 SER 664 1HB SER 664 11.254 -1.628 -11.263 167 HG SER 664 HG SER 664 13.153 -1.209 -9.901 168 H GLN 665 H GLN 665 11.567 -5.034 -9.099 169 HA GLN 665 HA GLN 665 9.198 -6.026 -10.343 170 HB2 GLN 665 2HB GLN 665 10.781 -7.863 -8.648 171 HB3 GLN 665 1HB GLN 665 10.205 -8.066 -10.296 172 HG2 GLN 665 2HG GLN 665 12.361 -7.855 -10.831 173 HG3 GLN 665 1HG GLN 665 12.066 -6.128 -10.635 174 HE21 GLN 665 1HE2 GLN 665 13.819 -8.809 -9.574 175 HE22 GLN 665 2HE2 GLN 665 14.597 -8.067 -8.211 176 H TYR 666 H TYR 666 9.908 -5.038 -7.170 177 HA TYR 666 HA TYR 666 7.841 -6.756 -6.004 178 HB2 TYR 666 2HB TYR 666 9.858 -4.954 -4.653 179 HB3 TYR 666 1HB TYR 666 8.739 -6.041 -3.836 180 HD1 TYR 666 2HD TYR 666 8.898 -8.567 -4.875 181 HD2 TYR 666 1HD TYR 666 12.027 -5.689 -4.774 182 HE1 TYR 666 2HE TYR 666 10.556 -10.376 -4.974 183 HE2 TYR 666 1HE TYR 666 13.694 -7.492 -4.877 184 HH TYR 666 HH TYR 666 12.880 -10.710 -5.631 185 H LYS 667 H LYS 667 8.083 -3.769 -7.384 186 HA LYS 667 HA LYS 667 6.661 -2.158 -5.530 187 HB2 LYS 667 2HB LYS 667 7.204 -1.889 -8.480 188 HB3 LYS 667 1HB LYS 667 6.308 -0.687 -7.567 189 HG2 LYS 667 2HG LYS 667 8.471 -0.866 -6.015 190 HG3 LYS 667 1HG LYS 667 9.192 -1.310 -7.562 191 HD2 LYS 667 2HD LYS 667 8.235 0.761 -8.544 192 HD3 LYS 667 1HD LYS 667 7.660 1.215 -6.938 193 HE2 LYS 667 2HE LYS 667 9.629 2.215 -6.640 194 HE3 LYS 667 1HE LYS 667 10.336 0.601 -6.551 195 HZ1 LYS 667 3HZ LYS 667 10.305 2.499 -8.792 196 HZ2 LYS 667 1HZ LYS 667 10.352 0.839 -9.128 197 HZ3 LYS 667 2HZ LYS 667 11.582 1.550 -8.200 198 H MET 668 H MET 668 4.621 -2.380 -4.981 199 HA MET 668 HA MET 668 2.728 -3.555 -6.896 200 HB2 MET 668 2HB MET 668 3.131 -4.286 -4.365 201 HB3 MET 668 1HB MET 668 1.983 -2.989 -4.067 202 HG2 MET 668 2HG MET 668 0.259 -4.088 -5.120 203 HG3 MET 668 1HG MET 668 1.342 -5.078 -6.097 204 HE1 MET 668 3HE MET 668 2.576 -4.954 -2.440 205 HE2 MET 668 1HE MET 668 0.964 -4.251 -2.301 206 HE3 MET 668 2HE MET 668 1.308 -5.812 -1.559 207 H ASP 669 H ASP 669 1.012 -2.397 -7.640 208 HA ASP 669 HA ASP 669 0.987 0.441 -6.932 209 HB2 ASP 669 2HB ASP 669 0.558 0.907 -9.087 210 HB3 ASP 669 1HB ASP 669 1.032 -0.754 -9.401 211 H VAL 670 H VAL 670 -0.793 1.466 -6.170 212 HA VAL 670 HA VAL 670 -2.921 -0.316 -5.201 213 HB VAL 670 HB VAL 670 -2.501 2.485 -4.199 214 HG11 VAL 670 1HG1 VAL 670 -4.234 1.891 -2.950 215 HG12 VAL 670 2HG1 VAL 670 -4.154 0.228 -3.529 216 HG13 VAL 670 3HG1 VAL 670 -3.185 0.726 -2.142 217 HG21 VAL 670 3HG2 VAL 670 -1.116 1.393 -2.351 218 HG22 VAL 670 1HG2 VAL 670 -0.908 0.040 -3.465 219 HG23 VAL 670 2HG2 VAL 670 -0.323 1.645 -3.906 220 H THR 671 H THR 671 -4.294 -0.340 -6.931 221 HA THR 671 HA THR 671 -5.200 2.164 -8.084 222 HB THR 671 HB THR 671 -6.599 -0.320 -8.832 223 HG1 THR 671 1HG THR 671 -3.777 0.010 -9.131 224 HG21 THR 671 3HG2 THR 671 -6.419 0.567 -11.016 225 HG22 THR 671 1HG2 THR 671 -5.077 1.615 -10.564 226 HG23 THR 671 2HG2 THR 671 -6.703 1.957 -9.966 227 H VAL 672 H VAL 672 -6.694 3.293 -7.045 228 HA VAL 672 HA VAL 672 -8.577 1.964 -5.256 229 HB VAL 672 HB VAL 672 -8.746 4.898 -5.738 230 HG11 VAL 672 1HG1 VAL 672 -9.051 4.894 -3.277 231 HG12 VAL 672 2HG1 VAL 672 -10.222 3.884 -4.125 232 HG13 VAL 672 3HG1 VAL 672 -8.857 3.143 -3.288 233 HG21 VAL 672 3HG2 VAL 672 -6.774 5.506 -4.748 234 HG22 VAL 672 1HG2 VAL 672 -6.630 3.993 -3.851 235 HG23 VAL 672 2HG2 VAL 672 -6.244 4.039 -5.572 236 H ILE 673 H ILE 673 -10.730 1.723 -5.646 237 HA ILE 673 HA ILE 673 -11.687 2.670 -8.272 238 HB ILE 673 HB ILE 673 -12.265 0.149 -6.743 239 HG12 ILE 673 2HG1 ILE 673 -12.066 -0.497 -9.385 240 HG13 ILE 673 1HG1 ILE 673 -11.009 0.908 -9.305 241 HG21 ILE 673 1HG2 ILE 673 -13.872 0.599 -9.159 242 HG22 ILE 673 2HG2 ILE 673 -14.310 -0.158 -7.628 243 HG23 ILE 673 3HG2 ILE 673 -14.310 1.603 -7.774 244 HD11 ILE 673 3HD1 ILE 673 -9.404 -0.385 -8.526 245 HD12 ILE 673 1HD1 ILE 673 -10.378 -0.714 -7.093 246 HD13 ILE 673 2HD1 ILE 673 -10.496 -1.769 -8.502 247 H ASP 674 H ASP 674 -13.445 3.918 -8.350 248 HA ASP 674 HA ASP 674 -14.672 4.858 -5.931 249 HB2 ASP 674 2HB ASP 674 -14.291 6.209 -8.061 250 HB3 ASP 674 1HB ASP 674 -15.655 5.336 -8.746 251 H THR 675 H THR 675 -16.276 3.917 -4.889 252 HA THR 675 HA THR 675 -17.567 1.613 -6.093 253 HB THR 675 HB THR 675 -18.328 2.170 -3.353 254 HG1 THR 675 1HG THR 675 -16.346 2.304 -2.435 255 HG21 THR 675 3HG2 THR 675 -18.306 -0.059 -3.354 256 HG22 THR 675 1HG2 THR 675 -16.576 -0.074 -3.688 257 HG23 THR 675 2HG2 THR 675 -17.731 -0.021 -5.020 258 H LYS 676 H LYS 676 -18.395 4.576 -6.564 259 HA LYS 676 HA LYS 676 -20.985 4.764 -5.346 260 HB2 LYS 676 2HB LYS 676 -19.337 6.610 -6.412 261 HB3 LYS 676 1HB LYS 676 -20.435 6.375 -7.768 262 HG2 LYS 676 2HG LYS 676 -22.178 6.606 -5.700 263 HG3 LYS 676 1HG LYS 676 -20.877 7.686 -5.190 264 HD2 LYS 676 2HD LYS 676 -22.038 7.801 -7.958 265 HD3 LYS 676 1HD LYS 676 -22.766 8.677 -6.610 266 HE2 LYS 676 2HE LYS 676 -20.913 10.056 -6.340 267 HE3 LYS 676 1HE LYS 676 -19.848 8.952 -7.207 268 HZ1 LYS 676 3HZ LYS 676 -21.818 9.691 -9.000 269 HZ2 LYS 676 1HZ LYS 676 -20.191 10.177 -9.003 270 HZ3 LYS 676 2HZ LYS 676 -21.356 11.122 -8.213 271 H ASP 677 H ASP 677 -19.779 3.535 -8.401 272 HA ASP 677 HA ASP 677 -22.363 3.562 -9.650 273 HB2 ASP 677 2HB ASP 677 -21.318 2.925 -11.615 274 HB3 ASP 677 1HB ASP 677 -20.007 3.737 -10.771 275 H GLY 678 H GLY 678 -21.781 1.972 -7.210 276 HA2 GLY 678 1HA GLY 678 -22.727 -0.652 -8.186 277 HA3 GLY 678 2HA GLY 678 -21.760 -0.448 -6.731 278 H SER 679 H SER 679 -23.248 1.955 -5.909 279 HA SER 679 HA SER 679 -25.350 0.547 -4.509 280 HB2 SER 679 2HB SER 679 -25.465 3.180 -3.693 281 HB3 SER 679 1HB SER 679 -24.496 1.917 -2.935 282 HG SER 679 HG SER 679 -23.711 4.081 -4.422 283 H GLN 680 H GLN 680 -25.222 2.013 -7.423 284 HA GLN 680 HA GLN 680 -27.603 3.616 -7.315 285 HB2 GLN 680 2HB GLN 680 -26.368 2.602 -9.858 286 HB3 GLN 680 1HB GLN 680 -27.222 4.111 -9.571 287 HG2 GLN 680 2HG GLN 680 -24.650 3.593 -8.163 288 HG3 GLN 680 1HG GLN 680 -24.636 4.084 -9.856 289 HE21 GLN 680 1HE2 GLN 680 -24.721 6.183 -10.284 290 HE22 GLN 680 2HE2 GLN 680 -25.159 7.427 -9.158 291 H SER 681 H SER 681 -28.806 1.700 -6.335 292 HA SER 681 HA SER 681 -29.787 -0.217 -8.259 293 HB2 SER 681 2HB SER 681 -31.457 -0.021 -5.926 294 HB3 SER 681 1HB SER 681 -30.392 -1.338 -6.415 295 HG SER 681 HG SER 681 -29.933 0.780 -4.652 296 H LYS 682 H LYS 682 -30.583 2.947 -7.182 297 HA LYS 682 HA LYS 682 -33.315 2.807 -8.188 298 HB2 LYS 682 2HB LYS 682 -31.733 4.993 -6.843 299 HB3 LYS 682 1HB LYS 682 -33.353 5.242 -7.478 300 HG2 LYS 682 2HG LYS 682 -32.974 2.959 -5.641 301 HG3 LYS 682 1HG LYS 682 -32.875 4.578 -4.945 302 HD2 LYS 682 2HD LYS 682 -35.096 4.795 -5.021 303 HD3 LYS 682 1HD LYS 682 -35.118 4.398 -6.742 304 HE2 LYS 682 2HE LYS 682 -35.186 2.050 -6.250 305 HE3 LYS 682 1HE LYS 682 -34.986 2.364 -4.526 306 HZ1 LYS 682 3HZ LYS 682 -37.129 3.448 -4.488 307 HZ2 LYS 682 1HZ LYS 682 -37.294 1.882 -5.123 308 HZ3 LYS 682 2HZ LYS 682 -37.318 3.229 -6.157 309 H LEU 683 H LEU 683 -30.190 4.117 -9.054 310 HA LEU 683 HA LEU 683 -31.154 5.699 -11.228 311 HB2 LEU 683 2HB LEU 683 -28.645 5.231 -9.943 312 HB3 LEU 683 1HB LEU 683 -28.445 5.001 -11.673 313 HG LEU 683 HG LEU 683 -29.971 7.398 -11.123 314 HD11 LEU 683 1HD1 LEU 683 -28.844 8.378 -9.488 315 HD12 LEU 683 2HD1 LEU 683 -27.937 6.884 -9.243 316 HD13 LEU 683 3HD1 LEU 683 -27.324 8.115 -10.346 317 HD21 LEU 683 3HD2 LEU 683 -28.869 8.094 -12.937 318 HD22 LEU 683 1HD2 LEU 683 -27.300 7.653 -12.265 319 HD23 LEU 683 2HD2 LEU 683 -28.294 6.431 -13.060 320 H GLY 684 H GLY 684 -31.787 5.037 -13.135 321 HA2 GLY 684 1HA GLY 684 -31.462 3.608 -15.092 322 HA3 GLY 684 2HA GLY 684 -31.032 2.306 -13.984 323 H GLY 685 H GLY 685 -33.326 3.730 -12.343 324 HA2 GLY 685 1HA GLY 685 -35.587 2.563 -13.818 325 HA3 GLY 685 2HA GLY 685 -35.330 2.162 -12.124 326 H GLY 901 H GLY 901 -35.029 5.232 -13.876 327 HA2 GLY 901 1HA GLY 901 -36.396 6.616 -11.739 328 HA3 GLY 901 2HA GLY 901 -35.723 7.341 -13.192 329 H GLY 902 H GLY 902 -38.326 5.101 -12.286 330 HA2 GLY 902 1HA GLY 902 -40.542 6.479 -12.904 331 HA3 GLY 902 2HA GLY 902 -39.963 6.004 -14.497 332 H SER 903 H SER 903 -42.054 4.825 -14.546 333 HA SER 903 HA SER 903 -42.175 2.449 -12.890 334 HB2 SER 903 2HB SER 903 -44.048 3.061 -15.164 335 HB3 SER 903 1HB SER 903 -44.370 2.172 -13.674 336 HG SER 903 HG SER 903 -44.209 4.941 -14.111 337 H GLY 904 H GLY 904 -40.862 0.831 -13.430 338 HA2 GLY 904 1HA GLY 904 -40.759 -1.105 -14.939 339 HA3 GLY 904 2HA GLY 904 -40.794 0.035 -16.277 340 H GLY 905 H GLY 905 -38.905 0.031 -13.269 341 HA2 GLY 905 1HA GLY 905 -36.477 -0.524 -14.797 342 HA3 GLY 905 2HA GLY 905 -36.573 1.045 -14.011 343 H HIS 906 H HIS 906 -37.967 -1.868 -12.650 344 HA HIS 906 HA HIS 906 -36.359 -1.507 -10.268 345 HB2 HIS 906 2HB HIS 906 -38.843 -2.110 -10.277 346 HB3 HIS 906 1HB HIS 906 -38.346 -3.725 -10.773 347 HD1 HIS 906 1HD HIS 906 -38.993 -1.760 -7.794 348 HD2 HIS 906 2HD HIS 906 -36.530 -4.948 -8.816 349 HE1 HIS 906 1HE HIS 906 -38.295 -2.843 -5.620 350 H MET 907 H MET 907 -34.338 -1.958 -11.354 351 HA MET 907 HA MET 907 -33.832 -4.738 -12.045 352 HB2 MET 907 2HB MET 907 -32.601 -2.197 -12.631 353 HB3 MET 907 1HB MET 907 -31.404 -3.305 -11.973 354 HG2 MET 907 2HG MET 907 -31.289 -3.662 -14.258 355 HG3 MET 907 1HG MET 907 -32.295 -4.989 -13.680 356 HE1 MET 907 3HE MET 907 -31.846 -1.996 -15.818 357 HE2 MET 907 1HE MET 907 -33.426 -1.598 -16.490 358 HE3 MET 907 2HE MET 907 -33.021 -1.112 -14.843 359 H GLY 908 H GLY 908 -33.091 -2.402 -9.536 360 HA2 GLY 908 1HA GLY 908 -32.557 -2.738 -7.329 361 HA3 GLY 908 2HA GLY 908 -32.793 -4.458 -7.588 362 H SER 909 H SER 909 -30.892 -4.097 -5.938 363 HA SER 909 HA SER 909 -28.354 -3.944 -7.385 364 HB2 SER 909 2HB SER 909 -28.113 -4.440 -4.532 365 HB3 SER 909 1HB SER 909 -27.496 -3.092 -5.489 366 HG SER 909 HG SER 909 -29.126 -1.907 -4.868 367 H GLY 910 H GLY 910 -28.255 -5.898 -8.442 368 HA2 GLY 910 1HA GLY 910 -28.841 -8.399 -7.205 369 HA3 GLY 910 2HA GLY 910 -27.973 -8.168 -8.717 370 H GLY 911 H GLY 911 -25.902 -6.519 -7.659 371 HA2 GLY 911 1HA GLY 911 -24.268 -8.567 -6.398 372 HA3 GLY 911 2HA GLY 911 -23.718 -7.003 -6.983 373 H LEU 18 H LEU 18 -25.913 -8.304 -4.491 374 HA LEU 18 HA LEU 18 -25.504 -6.035 -2.782 375 HB2 LEU 18 2HB LEU 18 -27.125 -8.485 -2.748 376 HB3 LEU 18 1HB LEU 18 -26.603 -7.942 -1.163 377 HG LEU 18 HG LEU 18 -28.260 -6.398 -3.161 378 HD11 LEU 18 1HD1 LEU 18 -29.314 -6.587 -0.503 379 HD12 LEU 18 2HD1 LEU 18 -30.015 -7.132 -2.026 380 HD13 LEU 18 3HD1 LEU 18 -28.940 -8.196 -1.119 381 HD21 LEU 18 3HD2 LEU 18 -28.156 -4.504 -1.810 382 HD22 LEU 18 1HD2 LEU 18 -27.498 -5.396 -0.439 383 HD23 LEU 18 2HD2 LEU 18 -26.487 -5.071 -1.848 384 H SER 19 H SER 19 -23.620 -8.653 -3.489 385 HA SER 19 HA SER 19 -22.369 -8.833 -0.863 386 HB2 SER 19 2HB SER 19 -20.836 -10.271 -2.711 387 HB3 SER 19 1HB SER 19 -22.040 -10.937 -1.604 388 HG SER 19 HG SER 19 -22.137 -10.985 -4.204 389 H TRP 20 H TRP 20 -22.344 -6.802 -3.384 390 HA TRP 20 HA TRP 20 -20.950 -5.267 -4.292 391 HB2 TRP 20 2HB TRP 20 -19.295 -5.293 -1.794 392 HB3 TRP 20 1HB TRP 20 -19.801 -3.926 -2.780 393 HD1 TRP 20 HD TRP 20 -22.866 -4.045 -2.729 394 HE1 TRP 20 1HE TRP 20 -24.197 -3.808 -0.539 395 HE3 TRP 20 3HE TRP 20 -19.207 -5.345 0.583 396 HZ2 TRP 20 2HZ TRP 20 -23.754 -4.121 2.223 397 HZ3 TRP 20 3HZ TRP 20 -19.737 -5.349 2.987 398 HH2 TRP 20 HH TRP 20 -21.964 -4.751 3.790 399 H LYS 21 H LYS 21 -18.116 -5.741 -2.580 400 HA LYS 21 HA LYS 21 -17.014 -7.425 -4.715 401 HB2 LYS 21 2HB LYS 21 -15.574 -5.147 -3.340 402 HB3 LYS 21 1HB LYS 21 -14.948 -6.143 -4.645 403 HG2 LYS 21 2HG LYS 21 -17.412 -4.460 -4.979 404 HG3 LYS 21 1HG LYS 21 -15.791 -3.818 -5.243 405 HD2 LYS 21 2HD LYS 21 -15.415 -5.679 -6.879 406 HD3 LYS 21 1HD LYS 21 -17.118 -6.100 -6.703 407 HE2 LYS 21 2HE LYS 21 -17.839 -4.236 -7.815 408 HE3 LYS 21 1HE LYS 21 -16.430 -3.283 -7.356 409 HZ1 LYS 21 3HZ LYS 21 -16.879 -4.826 -9.713 410 HZ2 LYS 21 1HZ LYS 21 -15.433 -5.287 -8.949 411 HZ3 LYS 21 2HZ LYS 21 -15.679 -3.669 -9.398 412 H ARG 22 H ARG 22 -15.861 -9.143 -4.080 413 HA ARG 22 HA ARG 22 -15.887 -9.811 -1.282 414 HB2 ARG 22 2HB ARG 22 -15.763 -11.214 -3.774 415 HB3 ARG 22 1HB ARG 22 -14.422 -11.735 -2.765 416 HG2 ARG 22 2HG ARG 22 -17.325 -11.753 -1.970 417 HG3 ARG 22 1HG ARG 22 -16.381 -13.154 -2.473 418 HD2 ARG 22 2HD ARG 22 -15.047 -11.720 -0.357 419 HD3 ARG 22 1HD ARG 22 -16.688 -12.153 0.117 420 HE ARG 22 HE ARG 22 -14.474 -13.958 -0.424 421 HH11 ARG 22 2HH1 ARG 22 -17.916 -13.601 0.115 422 HH12 ARG 22 1HH1 ARG 22 -18.160 -15.263 0.549 423 HH21 ARG 22 2HH2 ARG 22 -14.782 -16.145 0.162 424 HH22 ARG 22 1HH2 ARG 22 -16.367 -16.704 0.617 425 H CYS 23 H CYS 23 -14.279 -9.551 0.119 426 HA CYS 23 HA CYS 23 -11.740 -8.512 -0.767 427 HB2 CYS 23 2HB CYS 23 -12.727 -7.586 1.242 428 HB3 CYS 23 1HB CYS 23 -12.810 -9.181 1.984 429 H ALA 24 H ALA 24 -9.716 -9.453 -0.265 430 HA ALA 24 HA ALA 24 -9.802 -12.397 -0.165 431 HB1 ALA 24 1HB ALA 24 -8.692 -11.804 -2.122 432 HB2 ALA 24 2HB ALA 24 -7.855 -10.453 -1.356 433 HB3 ALA 24 3HB ALA 24 -7.376 -12.110 -0.990 434 H GLY 25 H GLY 25 -9.335 -9.782 1.763 435 HA2 GLY 25 1HA GLY 25 -7.031 -10.793 3.236 436 HA3 GLY 25 2HA GLY 25 -7.875 -9.277 3.520 437 H CYS 26 H CYS 26 -10.426 -9.938 4.009 438 HA CYS 26 HA CYS 26 -10.105 -11.407 6.515 439 HB2 CYS 26 2HB CYS 26 -12.382 -10.363 7.055 440 HB3 CYS 26 1HB CYS 26 -10.991 -9.291 6.995 441 H GLY 27 H GLY 27 -11.720 -11.533 3.471 442 HA2 GLY 27 1HA GLY 27 -12.517 -13.584 2.575 443 HA3 GLY 27 2HA GLY 27 -12.775 -14.166 4.215 444 H GLY 28 H GLY 28 -13.860 -11.074 4.155 445 HA2 GLY 28 1HA GLY 28 -16.614 -11.940 3.570 446 HA3 GLY 28 2HA GLY 28 -16.171 -10.574 4.589 447 H LYS 29 H LYS 29 -17.672 -9.353 3.238 448 HA LYS 29 HA LYS 29 -16.574 -8.691 0.604 449 HB2 LYS 29 2HB LYS 29 -18.813 -7.221 0.685 450 HB3 LYS 29 1HB LYS 29 -18.790 -8.895 0.150 451 HG2 LYS 29 2HG LYS 29 -19.320 -9.489 2.581 452 HG3 LYS 29 1HG LYS 29 -19.717 -7.776 2.770 453 HD2 LYS 29 2HD LYS 29 -21.171 -8.165 0.645 454 HD3 LYS 29 1HD LYS 29 -21.052 -9.869 1.094 455 HE2 LYS 29 2HE LYS 29 -22.224 -7.601 2.690 456 HE3 LYS 29 1HE LYS 29 -23.045 -9.033 2.070 457 HZ1 LYS 29 3HZ LYS 29 -21.592 -8.687 4.504 458 HZ2 LYS 29 1HZ LYS 29 -21.036 -10.026 3.630 459 HZ3 LYS 29 2HZ LYS 29 -22.671 -9.921 4.057 460 H ILE 30 H ILE 30 -16.194 -6.487 0.042 461 HA ILE 30 HA ILE 30 -14.884 -5.060 2.108 462 HB ILE 30 HB ILE 30 -15.587 -4.297 -0.727 463 HG12 ILE 30 2HG1 ILE 30 -12.816 -4.649 0.331 464 HG13 ILE 30 1HG1 ILE 30 -13.788 -6.085 0.037 465 HG21 ILE 30 1HG2 ILE 30 -15.411 -2.324 0.875 466 HG22 ILE 30 2HG2 ILE 30 -13.707 -2.752 1.038 467 HG23 ILE 30 3HG2 ILE 30 -14.360 -2.304 -0.539 468 HD11 ILE 30 3HD1 ILE 30 -12.523 -4.241 -1.855 469 HD12 ILE 30 1HD1 ILE 30 -12.891 -5.958 -2.008 470 HD13 ILE 30 2HD1 ILE 30 -14.153 -4.758 -2.284 471 H ALA 31 H ALA 31 -15.988 -4.164 3.702 472 HA ALA 31 HA ALA 31 -18.479 -2.727 3.121 473 HB1 ALA 31 1HB ALA 31 -19.191 -3.192 5.239 474 HB2 ALA 31 2HB ALA 31 -18.126 -4.575 4.984 475 HB3 ALA 31 3HB ALA 31 -17.559 -3.185 5.911 476 H ASP 32 H ASP 32 -15.729 -1.767 2.590 477 HA ASP 32 HA ASP 32 -15.405 0.429 4.478 478 HB2 ASP 32 2HB ASP 32 -13.583 -1.046 3.115 479 HB3 ASP 32 1HB ASP 32 -13.753 0.325 2.022 480 H ARG 33 H ARG 33 -14.569 2.494 2.971 481 HA ARG 33 HA ARG 33 -16.916 3.302 1.470 482 HB2 ARG 33 2HB ARG 33 -15.748 4.948 2.904 483 HB3 ARG 33 1HB ARG 33 -14.294 4.751 1.933 484 HG2 ARG 33 2HG ARG 33 -15.017 6.495 0.772 485 HG3 ARG 33 1HG ARG 33 -16.174 5.378 0.048 486 HD2 ARG 33 2HD ARG 33 -17.336 6.148 2.460 487 HD3 ARG 33 1HD ARG 33 -16.620 7.622 1.804 488 HE ARG 33 HE ARG 33 -17.971 7.366 -0.155 489 HH11 ARG 33 2HH1 ARG 33 -18.807 5.267 2.516 490 HH12 ARG 33 1HH1 ARG 33 -20.363 4.843 1.873 491 HH21 ARG 33 2HH2 ARG 33 -20.017 6.815 -1.021 492 HH22 ARG 33 1HH2 ARG 33 -21.055 5.719 -0.145 493 H PHE 34 H PHE 34 -13.457 3.472 0.696 494 HA PHE 34 HA PHE 34 -14.114 2.795 -2.071 495 HB2 PHE 34 2HB PHE 34 -12.073 4.497 -0.780 496 HB3 PHE 34 1HB PHE 34 -11.522 3.579 -2.180 497 HD1 PHE 34 2HD PHE 34 -14.487 5.594 -1.160 498 HD2 PHE 34 1HD PHE 34 -11.669 4.634 -4.201 499 HE1 PHE 34 2HE PHE 34 -15.544 7.227 -2.650 500 HE2 PHE 34 1HE PHE 34 -12.730 6.263 -5.705 501 HZ PHE 34 HZ PHE 34 -14.669 7.557 -4.937 502 H LEU 35 H LEU 35 -13.143 1.089 -3.115 503 HA LEU 35 HA LEU 35 -11.603 -0.732 -1.412 504 HB2 LEU 35 2HB LEU 35 -12.113 -2.471 -2.983 505 HB3 LEU 35 1HB LEU 35 -13.593 -1.658 -2.523 506 HG LEU 35 HG LEU 35 -12.787 -0.331 -4.836 507 HD11 LEU 35 1HD1 LEU 35 -11.941 -3.166 -4.858 508 HD12 LEU 35 2HD1 LEU 35 -12.798 -2.579 -6.282 509 HD13 LEU 35 3HD1 LEU 35 -11.312 -1.785 -5.756 510 HD21 LEU 35 3HD2 LEU 35 -15.006 -0.621 -4.849 511 HD22 LEU 35 1HD2 LEU 35 -14.652 -2.140 -5.676 512 HD23 LEU 35 2HD2 LEU 35 -14.910 -2.125 -3.930 513 H LEU 36 H LEU 36 -9.661 -1.671 -2.191 514 HA LEU 36 HA LEU 36 -8.311 0.011 -4.194 515 HB2 LEU 36 2HB LEU 36 -6.986 -1.078 -1.715 516 HB3 LEU 36 1HB LEU 36 -6.329 0.076 -2.860 517 HG LEU 36 HG LEU 36 -8.706 1.223 -1.857 518 HD11 LEU 36 1HD1 LEU 36 -7.824 -0.617 0.005 519 HD12 LEU 36 2HD1 LEU 36 -7.132 0.908 0.556 520 HD13 LEU 36 3HD1 LEU 36 -8.872 0.769 0.313 521 HD21 LEU 36 3HD2 LEU 36 -5.958 1.850 -2.227 522 HD22 LEU 36 1HD2 LEU 36 -7.318 2.949 -1.987 523 HD23 LEU 36 2HD2 LEU 36 -6.424 2.340 -0.594 524 H TYR 37 H TYR 37 -6.370 -0.983 -5.113 525 HA TYR 37 HA TYR 37 -6.637 -3.903 -5.353 526 HB2 TYR 37 2HB TYR 37 -6.248 -1.759 -7.297 527 HB3 TYR 37 1HB TYR 37 -5.045 -3.033 -7.457 528 HD1 TYR 37 1HD TYR 37 -6.404 -5.491 -7.025 529 HD2 TYR 37 2HD TYR 37 -7.882 -1.967 -8.888 530 HE1 TYR 37 1HE TYR 37 -8.021 -6.844 -8.287 531 HE2 TYR 37 2HE TYR 37 -9.503 -3.309 -10.157 532 HH TYR 37 HH TYR 37 -9.279 -6.598 -10.513 533 H ALA 38 H ALA 38 -4.778 -5.164 -5.303 534 HA ALA 38 HA ALA 38 -2.201 -3.856 -4.901 535 HB1 ALA 38 1HB ALA 38 -3.626 -5.424 -2.849 536 HB2 ALA 38 2HB ALA 38 -1.927 -5.833 -3.081 537 HB3 ALA 38 3HB ALA 38 -2.388 -4.180 -2.674 538 H MET 39 H MET 39 -2.555 -7.211 -4.098 539 HA MET 39 HA MET 39 -1.167 -7.953 -6.524 540 HB2 MET 39 2HB MET 39 -1.359 -10.311 -5.519 541 HB3 MET 39 1HB MET 39 -0.349 -9.144 -4.679 542 HG2 MET 39 2HG MET 39 -2.617 -8.724 -3.357 543 HG3 MET 39 1HG MET 39 -2.905 -10.390 -3.859 544 HE1 MET 39 3HE MET 39 0.197 -8.238 -2.480 545 HE2 MET 39 1HE MET 39 -1.230 -8.011 -1.468 546 HE3 MET 39 2HE MET 39 0.173 -8.870 -0.833 547 H ASP 40 H ASP 40 -3.358 -6.916 -7.357 548 HA ASP 40 HA ASP 40 -5.210 -7.126 -8.620 549 HB2 ASP 40 2HB ASP 40 -3.396 -9.036 -9.472 550 HB3 ASP 40 1HB ASP 40 -4.917 -9.918 -9.358 551 H SER 41 H SER 41 -5.427 -8.002 -5.767 552 HA SER 41 HA SER 41 -7.962 -9.457 -6.096 553 HB2 SER 41 2HB SER 41 -7.007 -9.108 -3.350 554 HB3 SER 41 1HB SER 41 -7.511 -10.580 -4.183 555 HG SER 41 HG SER 41 -5.364 -10.376 -5.275 556 H TYR 42 H TYR 42 -9.664 -8.705 -4.427 557 HA TYR 42 HA TYR 42 -9.821 -5.799 -4.548 558 HB2 TYR 42 2HB TYR 42 -11.745 -7.986 -3.806 559 HB3 TYR 42 1HB TYR 42 -12.097 -6.311 -3.413 560 HD1 TYR 42 2HD TYR 42 -10.912 -5.098 -5.972 561 HD2 TYR 42 1HD TYR 42 -13.517 -8.392 -5.288 562 HE1 TYR 42 2HE TYR 42 -11.912 -4.765 -8.196 563 HE2 TYR 42 1HE TYR 42 -14.523 -8.069 -7.505 564 HH TYR 42 HH TYR 42 -13.394 -6.765 -9.876 565 H TRP 43 H TRP 43 -9.503 -4.463 -2.821 566 HA TRP 43 HA TRP 43 -9.343 -5.683 -0.149 567 HB2 TRP 43 2HB TRP 43 -7.375 -3.597 -1.078 568 HB3 TRP 43 1HB TRP 43 -7.313 -4.568 0.386 569 HD1 TRP 43 HD TRP 43 -6.658 -4.789 -3.378 570 HE1 TRP 43 1HE TRP 43 -5.183 -6.843 -3.829 571 HE3 TRP 43 3HE TRP 43 -6.623 -6.813 1.308 572 HZ2 TRP 43 2HZ TRP 43 -4.130 -9.022 -2.401 573 HZ3 TRP 43 3HZ TRP 43 -5.351 -8.889 1.683 574 HH2 TRP 43 HH TRP 43 -4.129 -9.967 -0.144 575 H HIS 44 H HIS 44 -9.376 -4.112 1.583 576 HA HIS 44 HA HIS 44 -10.397 -1.449 0.943 577 HB2 HIS 44 2HB HIS 44 -11.977 -1.628 2.919 578 HB3 HIS 44 1HB HIS 44 -12.442 -2.588 1.523 579 HD1 HIS 44 1HD HIS 44 -12.866 -3.000 4.883 580 HD2 HIS 44 2HD HIS 44 -10.756 -5.246 2.086 581 HE1 HIS 44 1HE HIS 44 -12.598 -5.339 5.871 582 H SER 45 H SER 45 -10.272 -0.097 3.101 583 HA SER 45 HA SER 45 -7.574 0.120 3.645 584 HB2 SER 45 2HB SER 45 -9.456 1.143 5.703 585 HB3 SER 45 1HB SER 45 -8.140 1.965 4.864 586 HG SER 45 HG SER 45 -10.809 1.634 4.118 587 H ARG 46 H ARG 46 -9.930 -1.832 5.353 588 HA ARG 46 HA ARG 46 -8.431 -2.115 7.747 589 HB2 ARG 46 2HB ARG 46 -10.943 -3.061 6.713 590 HB3 ARG 46 1HB ARG 46 -10.069 -4.383 7.475 591 HG2 ARG 46 2HG ARG 46 -10.838 -1.754 8.727 592 HG3 ARG 46 1HG ARG 46 -11.487 -3.352 9.103 593 HD2 ARG 46 2HD ARG 46 -9.916 -3.577 10.664 594 HD3 ARG 46 1HD ARG 46 -8.697 -3.551 9.390 595 HE ARG 46 HE ARG 46 -9.140 -0.933 9.790 596 HH11 ARG 46 2HH1 ARG 46 -8.526 -3.543 12.054 597 HH12 ARG 46 1HH1 ARG 46 -7.710 -2.516 13.201 598 HH21 ARG 46 2HH2 ARG 46 -8.080 0.401 11.275 599 HH22 ARG 46 1HH2 ARG 46 -7.475 -0.267 12.762 600 H CYS 47 H CYS 47 -8.636 -4.093 4.795 601 HA CYS 47 HA CYS 47 -6.669 -5.927 5.949 602 HB2 CYS 47 2HB CYS 47 -8.410 -6.133 3.504 603 HB3 CYS 47 1HB CYS 47 -7.148 -7.298 3.888 604 H LEU 48 H LEU 48 -7.063 -3.581 3.384 605 HA LEU 48 HA LEU 48 -4.557 -4.194 2.126 606 HB2 LEU 48 2HB LEU 48 -6.718 -2.946 1.213 607 HB3 LEU 48 1HB LEU 48 -5.863 -1.533 1.801 608 HG LEU 48 HG LEU 48 -5.615 -2.581 -0.698 609 HD11 LEU 48 1HD1 LEU 48 -3.160 -1.316 -0.032 610 HD12 LEU 48 2HD1 LEU 48 -4.555 -0.653 -0.885 611 HD13 LEU 48 3HD1 LEU 48 -4.462 -0.544 0.872 612 HD21 LEU 48 3HD2 LEU 48 -4.462 -4.570 -0.023 613 HD22 LEU 48 1HD2 LEU 48 -3.301 -3.501 -0.813 614 HD23 LEU 48 2HD2 LEU 48 -3.322 -3.638 0.946 615 H LYS 49 H LYS 49 -3.519 -4.192 4.267 616 HA LYS 49 HA LYS 49 -2.130 -1.652 4.624 617 HB2 LYS 49 2HB LYS 49 -2.219 -2.268 7.194 618 HB3 LYS 49 1HB LYS 49 -3.511 -1.333 6.461 619 HG2 LYS 49 2HG LYS 49 -4.812 -2.839 7.509 620 HG3 LYS 49 1HG LYS 49 -4.469 -3.811 6.077 621 HD2 LYS 49 2HD LYS 49 -2.319 -4.362 7.683 622 HD3 LYS 49 1HD LYS 49 -3.631 -4.189 8.853 623 HE2 LYS 49 2HE LYS 49 -3.726 -6.440 8.309 624 HE3 LYS 49 1HE LYS 49 -4.947 -5.733 7.252 625 HZ1 LYS 49 3HZ LYS 49 -3.828 -6.372 5.461 626 HZ2 LYS 49 1HZ LYS 49 -2.865 -7.323 6.483 627 HZ3 LYS 49 2HZ LYS 49 -2.358 -5.766 6.041 628 H CYS 50 H CYS 50 -0.169 -1.970 5.899 629 HA CYS 50 HA CYS 50 1.382 -4.166 5.127 630 HB2 CYS 50 2HB CYS 50 2.243 -1.963 5.797 631 HB3 CYS 50 1HB CYS 50 1.699 -2.250 7.440 632 H SER 51 H SER 51 1.689 -6.135 6.030 633 HA SER 51 HA SER 51 -0.030 -6.934 8.198 634 HB2 SER 51 2HB SER 51 2.138 -8.703 7.125 635 HB3 SER 51 1HB SER 51 0.499 -9.122 7.621 636 HG SER 51 HG SER 51 1.307 -7.784 5.247 637 H SER 52 H SER 52 2.953 -5.461 8.054 638 HA SER 52 HA SER 52 4.032 -6.870 10.368 639 HB2 SER 52 2HB SER 52 5.754 -4.778 9.411 640 HB3 SER 52 1HB SER 52 6.019 -6.520 9.422 641 HG SER 52 HG SER 52 4.686 -4.993 7.424 642 H CYS 53 H CYS 53 3.210 -3.506 9.400 643 HA CYS 53 HA CYS 53 3.341 -2.866 12.267 644 HB2 CYS 53 2HB CYS 53 3.600 -0.499 11.646 645 HB3 CYS 53 1HB CYS 53 4.888 -1.498 10.994 646 H GLN 54 H GLN 54 1.252 -3.301 9.666 647 HA GLN 54 HA GLN 54 -0.993 -3.378 9.541 648 HB2 GLN 54 2HB GLN 54 -0.469 -3.419 12.364 649 HB3 GLN 54 1HB GLN 54 -1.947 -2.522 12.044 650 HG2 GLN 54 2HG GLN 54 -1.750 -5.004 10.534 651 HG3 GLN 54 1HG GLN 54 -1.742 -5.238 12.280 652 HE21 GLN 54 1HE2 GLN 54 -3.354 -2.546 10.761 653 HE22 GLN 54 2HE2 GLN 54 -4.969 -3.071 11.105 654 H ALA 55 H ALA 55 0.604 -0.807 9.281 655 HA ALA 55 HA ALA 55 -1.260 1.280 9.868 656 HB1 ALA 55 1HB ALA 55 0.540 2.515 9.450 657 HB2 ALA 55 2HB ALA 55 1.403 1.093 8.864 658 HB3 ALA 55 3HB ALA 55 0.449 2.068 7.746 659 H GLN 56 H GLN 56 -2.991 1.894 8.743 660 HA GLN 56 HA GLN 56 -4.062 0.356 6.679 661 HB2 GLN 56 2HB GLN 56 -4.697 2.896 8.037 662 HB3 GLN 56 1HB GLN 56 -5.394 2.705 6.436 663 HG2 GLN 56 2HG GLN 56 -6.812 1.968 8.383 664 HG3 GLN 56 1HG GLN 56 -6.611 0.817 7.068 665 HE21 GLN 56 1HE2 GLN 56 -6.193 -1.179 7.634 666 HE22 GLN 56 2HE2 GLN 56 -5.467 -1.683 9.122 667 H LEU 57 H LEU 57 -2.861 0.124 4.854 668 HA LEU 57 HA LEU 57 -1.305 2.146 3.658 669 HB2 LEU 57 2HB LEU 57 -2.127 -0.607 3.063 670 HB3 LEU 57 1HB LEU 57 -1.862 0.368 1.633 671 HG LEU 57 HG LEU 57 0.398 0.551 2.007 672 HD11 LEU 57 1HD1 LEU 57 0.349 1.503 4.222 673 HD12 LEU 57 2HD1 LEU 57 -0.062 -0.066 4.913 674 HD13 LEU 57 3HD1 LEU 57 1.515 0.180 4.161 675 HD21 LEU 57 3HD2 LEU 57 1.106 -1.746 3.032 676 HD22 LEU 57 1HD2 LEU 57 -0.624 -2.071 2.938 677 HD23 LEU 57 2HD2 LEU 57 0.276 -1.661 1.480 678 H GLY 58 H GLY 58 -4.646 1.356 3.471 679 HA2 GLY 58 1HA GLY 58 -5.192 2.529 0.928 680 HA3 GLY 58 2HA GLY 58 -6.375 2.103 2.154 681 H ASP 59 H ASP 59 -4.938 3.788 4.174 682 HA ASP 59 HA ASP 59 -6.288 6.258 3.416 683 HB2 ASP 59 2HB ASP 59 -6.551 5.014 5.693 684 HB3 ASP 59 1HB ASP 59 -5.025 5.795 6.094 685 H ILE 60 H ILE 60 -3.424 5.127 2.834 686 HA ILE 60 HA ILE 60 -2.062 7.696 3.260 687 HB ILE 60 HB ILE 60 -0.684 5.024 3.038 688 HG12 ILE 60 2HG1 ILE 60 -0.957 6.612 5.582 689 HG13 ILE 60 1HG1 ILE 60 -2.155 5.404 5.123 690 HG21 ILE 60 1HG2 ILE 60 0.229 7.824 3.569 691 HG22 ILE 60 2HG2 ILE 60 1.181 6.437 4.097 692 HG23 ILE 60 3HG2 ILE 60 0.824 6.664 2.383 693 HD11 ILE 60 3HD1 ILE 60 0.038 4.906 6.619 694 HD12 ILE 60 1HD1 ILE 60 -0.823 3.695 5.668 695 HD13 ILE 60 2HD1 ILE 60 0.619 4.472 5.012 696 H GLY 61 H GLY 61 -2.057 4.806 1.276 697 HA2 GLY 61 1HA GLY 61 -2.184 4.738 -1.088 698 HA3 GLY 61 2HA GLY 61 -1.764 6.447 -1.131 699 H THR 62 H THR 62 0.003 4.333 0.912 700 HA THR 62 HA THR 62 2.476 4.989 -0.309 701 HB THR 62 HB THR 62 2.803 2.739 1.386 702 HG1 THR 62 1HG THR 62 1.661 3.789 3.264 703 HG21 THR 62 3HG2 THR 62 4.185 4.884 1.094 704 HG22 THR 62 1HG2 THR 62 4.046 4.219 2.722 705 HG23 THR 62 2HG2 THR 62 3.065 5.606 2.249 706 H SER 63 H SER 63 3.479 4.011 -1.942 707 HA SER 63 HA SER 63 2.526 1.740 -3.277 708 HB2 SER 63 2HB SER 63 5.383 2.151 -3.611 709 HB3 SER 63 1HB SER 63 4.079 2.379 -4.779 710 HG SER 63 HG SER 63 4.423 4.430 -4.515 711 H SER 64 H SER 64 2.254 -0.042 -2.044 712 HA SER 64 HA SER 64 4.157 -0.847 -0.062 713 HB2 SER 64 2HB SER 64 2.277 -2.914 -0.701 714 HB3 SER 64 1HB SER 64 2.356 -1.903 0.743 715 HG SER 64 HG SER 64 1.196 -0.291 -0.467 716 H TYR 65 H TYR 65 4.974 -3.137 -0.034 717 HA TYR 65 HA TYR 65 5.815 -3.926 -2.744 718 HB2 TYR 65 2HB TYR 65 7.453 -3.765 -0.213 719 HB3 TYR 65 1HB TYR 65 7.966 -4.694 -1.619 720 HD1 TYR 65 1HD TYR 65 8.576 -3.552 -3.704 721 HD2 TYR 65 2HD TYR 65 7.532 -1.369 -0.212 722 HE1 TYR 65 1HE TYR 65 9.567 -1.526 -4.686 723 HE2 TYR 65 2HE TYR 65 8.509 0.666 -1.180 724 HH TYR 65 HH TYR 65 9.333 1.608 -3.059 725 H THR 66 H THR 66 6.229 -6.167 -3.043 726 HA THR 66 HA THR 66 5.229 -7.931 -0.933 727 HB THR 66 HB THR 66 3.377 -7.504 -2.537 728 HG1 THR 66 1HG THR 66 3.040 -9.823 -2.992 729 HG21 THR 66 3HG2 THR 66 4.072 -9.102 -4.716 730 HG22 THR 66 1HG2 THR 66 5.456 -8.038 -4.467 731 HG23 THR 66 2HG2 THR 66 3.849 -7.352 -4.712 732 H LYS 67 H LYS 67 5.805 -10.208 -1.365 733 HA LYS 67 HA LYS 67 7.885 -10.793 -3.241 734 HB2 LYS 67 2HB LYS 67 8.927 -9.535 -1.188 735 HB3 LYS 67 1HB LYS 67 8.713 -11.078 -0.371 736 HG2 LYS 67 2HG LYS 67 10.055 -12.162 -2.132 737 HG3 LYS 67 1HG LYS 67 10.330 -10.576 -2.860 738 HD2 LYS 67 2HD LYS 67 11.496 -9.816 -0.902 739 HD3 LYS 67 1HD LYS 67 11.073 -11.288 -0.023 740 HE2 LYS 67 2HE LYS 67 13.112 -11.974 -0.662 741 HE3 LYS 67 1HE LYS 67 12.311 -12.330 -2.191 742 HZ1 LYS 67 3HZ LYS 67 13.088 -10.323 -3.123 743 HZ2 LYS 67 1HZ LYS 67 14.422 -11.006 -2.338 744 HZ3 LYS 67 2HZ LYS 67 13.595 -9.711 -1.625 745 H SER 68 H SER 68 7.387 -12.072 0.015 746 HA SER 68 HA SER 68 6.835 -14.690 -1.060 747 HB2 SER 68 2HB SER 68 6.521 -14.372 1.822 748 HB3 SER 68 1HB SER 68 7.641 -15.395 0.919 749 HG SER 68 HG SER 68 9.143 -13.941 1.138 750 H GLY 69 H GLY 69 4.863 -12.657 -1.615 751 HA2 GLY 69 1HA GLY 69 2.569 -12.622 -1.805 752 HA3 GLY 69 2HA GLY 69 2.514 -14.095 -0.852 753 H MET 70 H MET 70 4.200 -11.462 0.549 754 HA MET 70 HA MET 70 1.946 -11.053 2.392 755 HB2 MET 70 2HB MET 70 4.691 -10.220 3.180 756 HB3 MET 70 1HB MET 70 3.393 -10.884 4.162 757 HG2 MET 70 2HG MET 70 4.494 -12.755 2.201 758 HG3 MET 70 1HG MET 70 5.642 -12.214 3.424 759 HE1 MET 70 3HE MET 70 5.377 -14.987 5.461 760 HE2 MET 70 1HE MET 70 6.205 -13.547 4.865 761 HE3 MET 70 2HE MET 70 5.229 -13.461 6.332 762 H ILE 71 H ILE 71 1.159 -9.048 2.711 763 HA ILE 71 HA ILE 71 2.120 -6.906 1.014 764 HB ILE 71 HB ILE 71 0.083 -6.169 2.983 765 HG12 ILE 71 2HG1 ILE 71 -1.510 -7.596 1.232 766 HG13 ILE 71 1HG1 ILE 71 -0.181 -8.708 1.554 767 HG21 ILE 71 1HG2 ILE 71 -1.046 -5.321 0.984 768 HG22 ILE 71 2HG2 ILE 71 0.642 -4.811 1.045 769 HG23 ILE 71 3HG2 ILE 71 0.155 -6.121 -0.029 770 HD11 ILE 71 3HD1 ILE 71 -2.202 -7.584 3.433 771 HD12 ILE 71 1HD1 ILE 71 -1.677 -9.252 3.203 772 HD13 ILE 71 2HD1 ILE 71 -0.627 -8.105 4.036 773 H LEU 72 H LEU 72 3.720 -5.627 1.651 774 HA LEU 72 HA LEU 72 3.894 -4.910 4.499 775 HB2 LEU 72 2HB LEU 72 5.889 -6.221 2.771 776 HB3 LEU 72 1HB LEU 72 6.500 -4.874 3.714 777 HG LEU 72 HG LEU 72 5.360 -6.106 5.718 778 HD11 LEU 72 1HD1 LEU 72 5.033 -8.384 5.565 779 HD12 LEU 72 2HD1 LEU 72 4.347 -7.789 4.051 780 HD13 LEU 72 3HD1 LEU 72 5.953 -8.519 4.064 781 HD21 LEU 72 3HD2 LEU 72 7.707 -7.645 4.862 782 HD22 LEU 72 1HD2 LEU 72 7.911 -5.892 4.832 783 HD23 LEU 72 2HD2 LEU 72 7.438 -6.701 6.326 784 H CYS 73 H CYS 73 4.702 -2.837 4.937 785 HA CYS 73 HA CYS 73 4.289 -0.938 2.847 786 HB2 CYS 73 2HB CYS 73 4.723 0.769 4.500 787 HB3 CYS 73 1HB CYS 73 3.692 -0.465 5.209 788 H ARG 74 H ARG 74 5.985 0.924 2.710 789 HA ARG 74 HA ARG 74 8.107 -0.059 1.194 790 HB2 ARG 74 2HB ARG 74 6.990 2.271 1.216 791 HB3 ARG 74 1HB ARG 74 8.132 2.651 2.497 792 HG2 ARG 74 2HG ARG 74 9.757 1.589 0.570 793 HG3 ARG 74 1HG ARG 74 8.541 2.448 -0.381 794 HD2 ARG 74 2HD ARG 74 9.911 3.729 1.964 795 HD3 ARG 74 1HD ARG 74 10.630 3.744 0.354 796 HE ARG 74 HE ARG 74 7.922 4.811 0.783 797 HH11 ARG 74 2HH1 ARG 74 11.251 5.255 -0.225 798 HH12 ARG 74 1HH1 ARG 74 10.973 6.858 -0.850 799 HH21 ARG 74 2HH2 ARG 74 7.546 6.873 -0.083 800 HH22 ARG 74 1HH2 ARG 74 8.859 7.771 -0.798 801 H ASN 75 H ASN 75 8.057 1.197 4.504 802 HA ASN 75 HA ASN 75 10.885 0.974 4.879 803 HB2 ASN 75 2HB ASN 75 9.282 2.533 6.113 804 HB3 ASN 75 1HB ASN 75 8.793 1.127 7.052 805 HD21 ASN 75 1HD2 ASN 75 10.947 3.677 6.801 806 HD22 ASN 75 2HD2 ASN 75 12.071 3.178 8.015 807 H ASP 76 H ASP 76 8.086 -0.993 5.789 808 HA ASP 76 HA ASP 76 9.518 -2.716 7.528 809 HB2 ASP 76 2HB ASP 76 6.802 -2.460 6.554 810 HB3 ASP 76 1HB ASP 76 7.298 -4.146 6.668 811 H TYR 77 H TYR 77 8.672 -2.912 4.108 812 HA TYR 77 HA TYR 77 9.286 -5.617 3.740 813 HB2 TYR 77 2HB TYR 77 8.116 -4.465 1.988 814 HB3 TYR 77 1HB TYR 77 9.437 -3.312 1.789 815 HD1 TYR 77 1HD TYR 77 9.100 -7.038 1.879 816 HD2 TYR 77 2HD TYR 77 10.676 -3.632 -0.131 817 HE1 TYR 77 1HE TYR 77 10.149 -8.508 0.214 818 HE2 TYR 77 2HE TYR 77 11.733 -5.098 -1.799 819 HH TYR 77 HH TYR 77 12.548 -7.798 -1.603 820 H ILE 78 H ILE 78 11.334 -2.742 3.527 821 HA ILE 78 HA ILE 78 13.664 -4.102 2.655 822 HB ILE 78 HB ILE 78 13.512 -1.507 4.200 823 HG12 ILE 78 2HG1 ILE 78 13.639 -1.865 1.201 824 HG13 ILE 78 1HG1 ILE 78 12.127 -1.630 2.073 825 HG21 ILE 78 1HG2 ILE 78 15.751 -2.463 4.139 826 HG22 ILE 78 2HG2 ILE 78 15.653 -2.614 2.385 827 HG23 ILE 78 3HG2 ILE 78 15.665 -1.016 3.134 828 HD11 ILE 78 3HD1 ILE 78 12.415 0.556 2.007 829 HD12 ILE 78 1HD1 ILE 78 13.952 0.402 2.860 830 HD13 ILE 78 2HD1 ILE 78 13.910 0.318 1.097 831 H ARG 79 H ARG 79 12.327 -3.348 5.816 832 HA ARG 79 HA ARG 79 14.585 -4.124 7.340 833 HB2 ARG 79 2HB ARG 79 11.655 -3.991 8.076 834 HB3 ARG 79 1HB ARG 79 12.950 -4.273 9.229 835 HG2 ARG 79 2HG ARG 79 13.538 -1.935 7.693 836 HG3 ARG 79 1HG ARG 79 11.912 -1.814 8.369 837 HD2 ARG 79 2HD ARG 79 12.691 -1.528 10.443 838 HD3 ARG 79 1HD ARG 79 13.839 -2.857 10.279 839 HE ARG 79 HE ARG 79 15.357 -1.269 9.189 840 HH11 ARG 79 2HH1 ARG 79 12.767 -0.023 11.208 841 HH12 ARG 79 1HH1 ARG 79 13.506 1.535 11.409 842 HH21 ARG 79 2HH2 ARG 79 16.324 0.799 9.453 843 HH22 ARG 79 1HH2 ARG 79 15.535 1.994 10.440 844 H LEU 80 H LEU 80 11.677 -5.848 6.290 845 HA LEU 80 HA LEU 80 12.398 -8.233 7.727 846 HB2 LEU 80 2HB LEU 80 10.039 -7.206 6.806 847 HB3 LEU 80 1HB LEU 80 10.356 -8.464 5.624 848 HG LEU 80 HG LEU 80 10.364 -8.981 8.597 849 HD11 LEU 80 1HD1 LEU 80 8.140 -8.221 7.155 850 HD12 LEU 80 2HD1 LEU 80 8.065 -9.981 7.141 851 HD13 LEU 80 3HD1 LEU 80 8.145 -9.116 8.675 852 HD21 LEU 80 3HD2 LEU 80 11.537 -10.625 7.226 853 HD22 LEU 80 1HD2 LEU 80 10.061 -11.307 7.911 854 HD23 LEU 80 2HD2 LEU 80 10.103 -10.815 6.219 855 H PHE 81 H PHE 81 11.931 -7.576 4.233 856 HA PHE 81 HA PHE 81 13.525 -9.997 3.717 857 HB2 PHE 81 2HB PHE 81 11.573 -8.638 1.848 858 HB3 PHE 81 1HB PHE 81 12.387 -10.174 1.575 859 HD1 PHE 81 2HD PHE 81 11.825 -12.116 3.086 860 HD2 PHE 81 1HD PHE 81 9.545 -8.527 2.988 861 HE1 PHE 81 2HE PHE 81 9.935 -13.292 4.135 862 HE2 PHE 81 1HE PHE 81 7.646 -9.698 4.034 863 HZ PHE 81 HZ PHE 81 7.843 -12.084 4.607 864 H GLY 82 H GLY 82 12.763 -7.519 1.366 865 HA2 GLY 82 1HA GLY 82 14.219 -5.869 0.498 866 HA3 GLY 82 2HA GLY 82 15.562 -6.662 1.313
Contact the webmaster for help, if required. Sunday, May 19, 2024 1:56:28 PM GMT (wattos1)