NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
18627 | 2dod | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 644 H GLY 644 -9.558 -21.661 10.449 2 1HA GLY 644 1HA GLY 644 -10.401 -24.282 9.562 3 2HA GLY 644 2HA GLY 644 -10.927 -22.968 8.521 4 H SER 645 H SER 645 -9.554 -22.201 7.028 5 HA SER 645 HA SER 645 -7.755 -22.267 5.613 6 1HB SER 645 1HB SER 645 -6.724 -21.509 8.304 7 2HB SER 645 2HB SER 645 -5.538 -21.848 7.044 8 HG SER 645 HG SER 645 -6.697 -20.303 5.735 9 H SER 646 H SER 646 -8.600 -24.831 6.243 10 HA SER 646 HA SER 646 -6.239 -26.398 6.900 11 1HB SER 646 1HB SER 646 -8.427 -27.071 7.817 12 2HB SER 646 2HB SER 646 -9.040 -27.298 6.179 13 HG SER 646 HG SER 646 -7.517 -28.954 7.703 14 H GLY 647 H GLY 647 -5.050 -27.575 5.485 15 1HA GLY 647 1HA GLY 647 -4.372 -28.515 3.484 16 2HA GLY 647 2HA GLY 647 -5.959 -28.155 2.822 17 H SER 648 H SER 648 -2.683 -27.204 3.008 18 HA SER 648 HA SER 648 -2.624 -24.545 2.427 19 1HB SER 648 1HB SER 648 -0.514 -24.897 1.352 20 2HB SER 648 2HB SER 648 -0.648 -26.114 2.621 21 HG SER 648 HG SER 648 -1.236 -27.622 1.037 22 H SER 649 H SER 649 -3.597 -23.322 0.968 23 HA SER 649 HA SER 649 -5.254 -24.138 -1.045 24 1HB SER 649 1HB SER 649 -3.561 -21.627 -1.074 25 2HB SER 649 2HB SER 649 -5.039 -21.891 -1.998 26 HG SER 649 HG SER 649 -6.071 -22.210 0.106 27 H GLY 650 H GLY 650 -1.826 -23.234 -1.409 28 1HA GLY 650 1HA GLY 650 -0.958 -25.167 -3.079 29 2HA GLY 650 2HA GLY 650 -1.809 -24.089 -4.175 30 H ALA 651 H ALA 651 0.229 -23.397 -1.346 31 HA ALA 651 HA ALA 651 1.450 -21.138 -2.106 32 1HB ALA 651 1HB ALA 651 3.569 -22.105 -0.969 33 2HB ALA 651 2HB ALA 651 2.092 -21.915 -0.024 34 3HB ALA 651 3HB ALA 651 2.545 -23.504 -0.642 35 H ARG 652 H ARG 652 2.276 -20.543 -3.997 36 HA ARG 652 HA ARG 652 3.157 -22.242 -6.019 37 1HB ARG 652 1HB ARG 652 4.197 -20.204 -7.008 38 2HB ARG 652 2HB ARG 652 2.522 -19.977 -6.522 39 1HG ARG 652 1HG ARG 652 3.102 -18.649 -4.700 40 2HG ARG 652 2HG ARG 652 4.775 -19.209 -4.708 41 1HD ARG 652 1HD ARG 652 4.968 -18.106 -6.991 42 2HD ARG 652 2HD ARG 652 3.426 -17.332 -6.629 43 HE ARG 652 HE ARG 652 4.970 -16.762 -4.465 44 1HH1 ARG 652 2HH1 ARG 652 5.339 -16.334 -7.900 45 2HH1 ARG 652 1HH1 ARG 652 6.317 -14.912 -7.750 46 1HH2 ARG 652 2HH2 ARG 652 6.257 -14.890 -4.254 47 2HH2 ARG 652 1HH2 ARG 652 6.839 -14.092 -5.675 48 H GLU 653 H GLU 653 4.883 -20.823 -3.326 49 HA GLU 653 HA GLU 653 7.397 -21.982 -4.306 50 1HB GLU 653 1HB GLU 653 6.732 -19.735 -2.463 51 2HB GLU 653 2HB GLU 653 8.233 -20.610 -2.194 52 1HG GLU 653 1HG GLU 653 7.536 -19.516 -4.892 53 2HG GLU 653 2HG GLU 653 8.286 -18.509 -3.655 54 H ARG 654 H ARG 654 8.854 -22.652 -2.317 55 HA ARG 654 HA ARG 654 7.466 -24.851 -1.072 56 1HB ARG 654 1HB ARG 654 9.825 -24.932 -2.022 57 2HB ARG 654 2HB ARG 654 10.327 -24.021 -0.604 58 1HG ARG 654 1HG ARG 654 10.038 -25.786 0.808 59 2HG ARG 654 2HG ARG 654 8.768 -26.511 -0.181 60 1HD ARG 654 1HD ARG 654 10.500 -27.967 -0.567 61 2HD ARG 654 2HD ARG 654 10.717 -26.834 -1.900 62 HE ARG 654 HE ARG 654 12.206 -26.117 0.441 63 1HH1 ARG 654 2HH1 ARG 654 12.198 -28.085 -2.430 64 2HH1 ARG 654 1HH1 ARG 654 13.925 -28.190 -2.521 65 1HH2 ARG 654 2HH2 ARG 654 14.481 -26.247 0.332 66 2HH2 ARG 654 1HH2 ARG 654 15.222 -27.145 -0.949 67 H ALA 655 H ALA 655 9.597 -22.316 0.261 68 HA ALA 655 HA ALA 655 7.893 -22.294 2.667 69 1HB ALA 655 1HB ALA 655 9.746 -23.122 3.651 70 2HB ALA 655 2HB ALA 655 10.819 -22.521 2.386 71 3HB ALA 655 3HB ALA 655 10.245 -21.430 3.648 72 H ILE 656 H ILE 656 7.876 -20.616 0.195 73 HA ILE 656 HA ILE 656 8.291 -18.002 1.493 74 HB ILE 656 HB ILE 656 8.598 -18.691 -1.430 75 1HG1 ILE 656 1HG1 ILE 656 10.629 -17.531 0.481 76 2HG1 ILE 656 2HG1 ILE 656 10.482 -19.257 0.168 77 1HG2 ILE 656 1HG2 ILE 656 8.632 -16.029 -0.024 78 2HG2 ILE 656 2HG2 ILE 656 9.266 -16.285 -1.649 79 3HG2 ILE 656 3HG2 ILE 656 7.555 -16.554 -1.318 80 1HD1 ILE 656 1HD1 ILE 656 10.715 -17.602 -2.234 81 2HD1 ILE 656 2HD1 ILE 656 12.123 -17.575 -1.171 82 3HD1 ILE 656 3HD1 ILE 656 11.524 -19.109 -1.803 83 H VAL 657 H VAL 657 6.388 -17.161 2.016 84 HA VAL 657 HA VAL 657 3.895 -17.952 1.130 85 HB VAL 657 HB VAL 657 2.990 -15.980 2.116 86 1HG1 VAL 657 1HG1 VAL 657 3.546 -16.991 4.026 87 2HG1 VAL 657 2HG1 VAL 657 5.146 -17.428 3.424 88 3HG1 VAL 657 3HG1 VAL 657 4.872 -15.833 4.125 89 1HG2 VAL 657 1HG2 VAL 657 4.849 -14.230 2.885 90 2HG2 VAL 657 2HG2 VAL 657 5.629 -14.824 1.420 91 3HG2 VAL 657 3HG2 VAL 657 4.019 -14.110 1.334 92 HA PRO 658 HA PRO 658 3.468 -16.342 -2.945 93 1HB PRO 658 1HB PRO 658 0.760 -16.202 -3.073 94 2HB PRO 658 2HB PRO 658 1.647 -17.729 -3.140 95 1HG PRO 658 1HG PRO 658 0.256 -16.446 -0.820 96 2HG PRO 658 2HG PRO 658 0.257 -18.147 -1.323 97 1HD PRO 658 1HD PRO 658 1.807 -17.224 0.697 98 2HD PRO 658 2HD PRO 658 2.308 -18.562 -0.357 99 H LEU 659 H LEU 659 2.635 -14.495 -4.134 100 HA LEU 659 HA LEU 659 3.068 -12.054 -2.878 101 1HB LEU 659 1HB LEU 659 3.265 -12.249 -5.250 102 2HB LEU 659 2HB LEU 659 1.576 -12.726 -5.405 103 HG LEU 659 HG LEU 659 1.064 -10.371 -4.469 104 1HD1 LEU 659 1HD1 LEU 659 3.974 -10.195 -5.104 105 2HD1 LEU 659 2HD1 LEU 659 3.072 -9.502 -3.757 106 3HD1 LEU 659 3HD1 LEU 659 2.934 -8.795 -5.366 107 1HD2 LEU 659 1HD2 LEU 659 1.137 -9.428 -6.719 108 2HD2 LEU 659 2HD2 LEU 659 0.569 -11.098 -6.748 109 3HD2 LEU 659 3HD2 LEU 659 2.222 -10.721 -7.233 110 H GLU 660 H GLU 660 -0.008 -13.631 -3.706 111 HA GLU 660 HA GLU 660 -1.725 -11.624 -2.810 112 1HB GLU 660 1HB GLU 660 -2.001 -14.594 -3.118 113 2HB GLU 660 2HB GLU 660 -3.300 -13.663 -2.384 114 1HG GLU 660 1HG GLU 660 -2.160 -12.897 -5.043 115 2HG GLU 660 2HG GLU 660 -3.400 -14.142 -4.899 116 H ALA 661 H ALA 661 -0.024 -14.134 -1.056 117 HA ALA 661 HA ALA 661 -1.436 -13.893 1.387 118 1HB ALA 661 1HB ALA 661 -0.274 -15.833 1.422 119 2HB ALA 661 2HB ALA 661 1.071 -15.174 0.490 120 3HB ALA 661 3HB ALA 661 0.935 -14.821 2.213 121 H ARG 662 H ARG 662 1.918 -12.875 0.712 122 HA ARG 662 HA ARG 662 2.237 -11.261 2.939 123 1HB ARG 662 1HB ARG 662 4.023 -10.110 1.606 124 2HB ARG 662 2HB ARG 662 4.146 -11.864 1.630 125 1HG ARG 662 1HG ARG 662 2.891 -11.802 -0.595 126 2HG ARG 662 2HG ARG 662 3.272 -10.079 -0.612 127 1HD ARG 662 1HD ARG 662 5.702 -10.974 -0.093 128 2HD ARG 662 2HD ARG 662 5.075 -12.434 -0.857 129 HE ARG 662 HE ARG 662 4.551 -10.098 -2.409 130 1HH1 ARG 662 2HH1 ARG 662 6.997 -12.439 -1.598 131 2HH1 ARG 662 1HH1 ARG 662 7.866 -12.239 -3.084 132 1HH2 ARG 662 2HH2 ARG 662 5.686 -9.826 -4.369 133 2HH2 ARG 662 1HH2 ARG 662 7.120 -10.751 -4.659 134 H MET 663 H MET 663 1.129 -10.346 -0.311 135 HA MET 663 HA MET 663 0.862 -7.612 0.083 136 1HB MET 663 1HB MET 663 -0.567 -9.574 -1.681 137 2HB MET 663 2HB MET 663 -1.064 -7.887 -1.648 138 1HG MET 663 1HG MET 663 1.407 -7.366 -2.111 139 2HG MET 663 2HG MET 663 1.527 -9.065 -2.564 140 1HE MET 663 1HE MET 663 0.536 -5.555 -4.751 141 2HE MET 663 2HE MET 663 1.824 -6.126 -3.691 142 3HE MET 663 3HE MET 663 1.806 -6.598 -5.391 143 H LYS 664 H LYS 664 -1.400 -10.225 0.829 144 HA LYS 664 HA LYS 664 -3.586 -8.632 1.581 145 1HB LYS 664 1HB LYS 664 -2.734 -11.440 2.081 146 2HB LYS 664 2HB LYS 664 -3.996 -10.779 3.112 147 1HG LYS 664 1HG LYS 664 -4.143 -10.682 0.114 148 2HG LYS 664 2HG LYS 664 -4.754 -12.041 1.060 149 1HD LYS 664 1HD LYS 664 -5.600 -9.224 1.655 150 2HD LYS 664 2HD LYS 664 -6.399 -10.175 0.399 151 1HE LYS 664 1HE LYS 664 -6.069 -11.108 3.244 152 2HE LYS 664 2HE LYS 664 -7.490 -10.243 2.663 153 1HZ LYS 664 1HZ LYS 664 -7.078 -12.950 2.573 154 2HZ LYS 664 2HZ LYS 664 -6.837 -12.445 0.977 155 3HZ LYS 664 3HZ LYS 664 -8.292 -12.092 1.765 156 H GLN 665 H GLN 665 -0.882 -9.925 3.470 157 HA GLN 665 HA GLN 665 -1.724 -9.128 6.004 158 1HB GLN 665 1HB GLN 665 1.101 -9.286 4.938 159 2HB GLN 665 2HB GLN 665 0.654 -9.227 6.638 160 1HG GLN 665 1HG GLN 665 -0.523 -11.354 6.404 161 2HG GLN 665 2HG GLN 665 -0.073 -11.413 4.701 162 1HE2 GLN 665 1HE2 GLN 665 1.161 -11.468 7.983 163 2HE2 GLN 665 2HE2 GLN 665 2.643 -12.274 7.614 164 H PHE 666 H PHE 666 0.549 -7.423 3.844 165 HA PHE 666 HA PHE 666 0.875 -5.123 5.332 166 1HB PHE 666 1HB PHE 666 2.034 -5.828 3.148 167 2HB PHE 666 2HB PHE 666 0.676 -5.065 2.327 168 HD1 PHE 666 1HD PHE 666 3.432 -4.426 4.719 169 HD2 PHE 666 2HD PHE 666 0.627 -2.754 1.988 170 HE1 PHE 666 1HE PHE 666 4.555 -2.244 4.905 171 HE2 PHE 666 2HE PHE 666 1.746 -0.571 2.170 172 HZ PHE 666 HZ PHE 666 3.713 -0.314 3.629 173 H LYS 667 H LYS 667 -1.518 -5.683 2.754 174 HA LYS 667 HA LYS 667 -2.823 -3.233 2.896 175 1HB LYS 667 1HB LYS 667 -3.104 -5.256 1.257 176 2HB LYS 667 2HB LYS 667 -4.362 -5.753 2.381 177 1HG LYS 667 1HG LYS 667 -5.647 -3.831 1.958 178 2HG LYS 667 2HG LYS 667 -4.304 -3.013 1.156 179 1HD LYS 667 1HD LYS 667 -5.349 -5.589 0.055 180 2HD LYS 667 2HD LYS 667 -6.214 -4.084 -0.263 181 1HE LYS 667 1HE LYS 667 -4.461 -3.184 -1.480 182 2HE LYS 667 2HE LYS 667 -3.265 -4.243 -0.733 183 1HZ LYS 667 1HZ LYS 667 -4.573 -4.605 -3.155 184 2HZ LYS 667 2HZ LYS 667 -5.172 -5.794 -2.112 185 3HZ LYS 667 3HZ LYS 667 -3.507 -5.672 -2.388 186 H ASP 668 H ASP 668 -3.245 -6.142 4.831 187 HA ASP 668 HA ASP 668 -5.617 -5.461 6.142 188 1HB ASP 668 1HB ASP 668 -4.373 -7.686 6.194 189 2HB ASP 668 2HB ASP 668 -3.342 -6.968 7.429 190 H MET 669 H MET 669 -2.248 -4.925 7.174 191 HA MET 669 HA MET 669 -2.931 -3.473 9.506 192 1HB MET 669 1HB MET 669 -0.521 -2.711 9.391 193 2HB MET 669 2HB MET 669 -0.771 -4.451 9.427 194 1HG MET 669 1HG MET 669 -0.385 -4.601 7.055 195 2HG MET 669 2HG MET 669 -0.268 -2.847 6.932 196 1HE MET 669 1HE MET 669 2.157 -1.552 7.255 197 2HE MET 669 2HE MET 669 3.362 -2.673 6.623 198 3HE MET 669 3HE MET 669 1.776 -2.561 5.860 199 H LEU 670 H LEU 670 -2.236 -2.522 6.188 200 HA LEU 670 HA LEU 670 -1.917 0.205 6.474 201 1HB LEU 670 1HB LEU 670 -3.114 -1.477 4.306 202 2HB LEU 670 2HB LEU 670 -3.088 0.280 4.168 203 HG LEU 670 HG LEU 670 -0.664 -1.497 4.449 204 1HD1 LEU 670 1HD1 LEU 670 -0.403 -0.299 2.062 205 2HD1 LEU 670 2HD1 LEU 670 -2.158 -0.444 2.134 206 3HD1 LEU 670 3HD1 LEU 670 -1.148 -1.882 2.280 207 1HD2 LEU 670 1HD2 LEU 670 0.527 0.630 3.824 208 2HD2 LEU 670 2HD2 LEU 670 -0.172 0.600 5.443 209 3HD2 LEU 670 3HD2 LEU 670 -0.984 1.481 4.148 210 H LEU 671 H LEU 671 -4.954 -1.598 6.055 211 HA LEU 671 HA LEU 671 -6.571 0.756 6.355 212 1HB LEU 671 1HB LEU 671 -7.185 -1.283 5.018 213 2HB LEU 671 2HB LEU 671 -7.448 -2.117 6.548 214 HG LEU 671 HG LEU 671 -9.164 -0.319 7.067 215 1HD1 LEU 671 1HD1 LEU 671 -8.421 0.399 4.283 216 2HD1 LEU 671 2HD1 LEU 671 -8.885 1.432 5.635 217 3HD1 LEU 671 3HD1 LEU 671 -10.116 0.528 4.754 218 1HD2 LEU 671 1HD2 LEU 671 -9.331 -2.593 5.245 219 2HD2 LEU 671 2HD2 LEU 671 -10.633 -1.422 5.034 220 3HD2 LEU 671 3HD2 LEU 671 -10.354 -2.156 6.614 221 H GLU 672 H GLU 672 -5.801 -2.058 8.378 222 HA GLU 672 HA GLU 672 -7.418 -1.445 10.562 223 1HB GLU 672 1HB GLU 672 -4.934 -3.039 10.168 224 2HB GLU 672 2HB GLU 672 -5.403 -2.653 11.818 225 1HG GLU 672 1HG GLU 672 -7.418 -3.816 9.956 226 2HG GLU 672 2HG GLU 672 -6.205 -4.860 10.695 227 H ARG 673 H ARG 673 -3.894 -0.904 10.409 228 HA ARG 673 HA ARG 673 -3.546 0.625 12.626 229 1HB ARG 673 1HB ARG 673 -2.227 0.727 9.933 230 2HB ARG 673 2HB ARG 673 -1.761 1.864 11.191 231 1HG ARG 673 1HG ARG 673 -1.801 -1.071 11.752 232 2HG ARG 673 2HG ARG 673 -0.436 -0.334 10.910 233 1HD ARG 673 1HD ARG 673 0.284 -0.162 13.074 234 2HD ARG 673 2HD ARG 673 -0.557 1.377 12.903 235 HE ARG 673 HE ARG 673 -2.048 0.678 14.480 236 1HH1 ARG 673 2HH1 ARG 673 -0.419 -2.107 13.172 237 2HH1 ARG 673 1HH1 ARG 673 -1.142 -3.217 14.289 238 1HH2 ARG 673 2HH2 ARG 673 -3.007 -0.774 15.955 239 2HH2 ARG 673 1HH2 ARG 673 -2.615 -2.458 15.871 240 H GLY 674 H GLY 674 -5.172 1.542 9.707 241 1HA GLY 674 1HA GLY 674 -6.682 3.326 9.514 242 2HA GLY 674 2HA GLY 674 -5.995 4.036 10.967 243 H VAL 675 H VAL 675 -4.389 2.997 7.978 244 HA VAL 675 HA VAL 675 -2.788 5.334 7.857 245 HB VAL 675 HB VAL 675 -3.327 3.147 5.855 246 1HG1 VAL 675 1HG1 VAL 675 -1.769 5.677 5.552 247 2HG1 VAL 675 2HG1 VAL 675 -1.216 4.206 4.749 248 3HG1 VAL 675 3HG1 VAL 675 -2.817 4.857 4.395 249 1HG2 VAL 675 1HG2 VAL 675 -0.717 2.997 6.397 250 2HG2 VAL 675 2HG2 VAL 675 -1.269 3.721 7.907 251 3HG2 VAL 675 3HG2 VAL 675 -1.940 2.180 7.372 252 H SER 676 H SER 676 -3.929 7.212 7.713 253 HA SER 676 HA SER 676 -6.239 7.723 6.299 254 1HB SER 676 1HB SER 676 -5.047 9.261 7.930 255 2HB SER 676 2HB SER 676 -3.997 9.727 6.592 256 HG SER 676 HG SER 676 -6.229 10.072 5.529 257 H ALA 677 H ALA 677 -6.735 8.437 4.247 258 HA ALA 677 HA ALA 677 -4.898 7.639 2.173 259 1HB ALA 677 1HB ALA 677 -7.162 7.061 1.806 260 2HB ALA 677 2HB ALA 677 -7.709 8.708 2.122 261 3HB ALA 677 3HB ALA 677 -6.790 8.350 0.660 262 H PHE 678 H PHE 678 -6.342 10.662 3.317 263 HA PHE 678 HA PHE 678 -4.955 12.231 1.326 264 1HB PHE 678 1HB PHE 678 -6.607 13.065 3.720 265 2HB PHE 678 2HB PHE 678 -5.972 14.166 2.502 266 HD1 PHE 678 1HD PHE 678 -6.892 14.196 0.250 267 HD2 PHE 678 2HD PHE 678 -8.488 11.648 3.262 268 HE1 PHE 678 1HE PHE 678 -8.906 13.844 -1.120 269 HE2 PHE 678 2HE PHE 678 -10.504 11.291 1.897 270 HZ PHE 678 HZ PHE 678 -10.714 12.389 -0.297 271 H SER 679 H SER 679 -3.080 10.815 2.664 272 HA SER 679 HA SER 679 -1.707 12.899 4.220 273 1HB SER 679 1HB SER 679 -2.244 10.070 4.973 274 2HB SER 679 2HB SER 679 -0.663 10.731 5.390 275 HG SER 679 HG SER 679 -1.599 11.735 6.965 276 H THR 680 H THR 680 0.714 11.995 4.555 277 HA THR 680 HA THR 680 1.685 11.508 1.828 278 HB THR 680 HB THR 680 2.650 13.488 2.688 279 HG1 THR 680 1HG THR 680 4.335 12.489 1.775 280 1HG2 THR 680 1HG2 THR 680 2.537 13.760 4.913 281 2HG2 THR 680 2HG2 THR 680 4.091 12.927 4.959 282 3HG2 THR 680 3HG2 THR 680 2.597 12.025 5.216 283 H TRP 681 H TRP 681 3.353 9.996 1.431 284 HA TRP 681 HA TRP 681 3.064 7.527 2.710 285 1HB TRP 681 1HB TRP 681 3.882 7.401 0.527 286 2HB TRP 681 2HB TRP 681 5.093 8.650 0.804 287 HD1 TRP 681 HD TRP 681 7.482 7.821 1.253 288 HE1 TRP 681 1HE TRP 681 8.563 5.549 1.796 289 HE3 TRP 681 3HE TRP 681 3.242 5.034 1.876 290 HZ2 TRP 681 2HZ TRP 681 7.728 2.923 2.408 291 HZ3 TRP 681 3HZ TRP 681 3.470 2.650 2.439 292 HH2 TRP 681 HH TRP 681 5.668 1.618 2.698 293 H GLU 682 H GLU 682 5.087 10.240 3.435 294 HA GLU 682 HA GLU 682 7.085 8.943 4.937 295 1HB GLU 682 1HB GLU 682 5.987 11.750 5.027 296 2HB GLU 682 2HB GLU 682 7.320 11.224 6.046 297 1HG GLU 682 1HG GLU 682 8.601 10.640 4.029 298 2HG GLU 682 2HG GLU 682 7.277 11.247 3.037 299 H LYS 683 H LYS 683 4.177 10.679 6.057 300 HA LYS 683 HA LYS 683 4.406 10.065 8.760 301 1HB LYS 683 1HB LYS 683 2.113 10.778 6.976 302 2HB LYS 683 2HB LYS 683 1.781 10.256 8.622 303 1HG LYS 683 1HG LYS 683 3.235 12.047 9.465 304 2HG LYS 683 2HG LYS 683 3.505 12.587 7.806 305 1HD LYS 683 1HD LYS 683 1.001 12.846 7.613 306 2HD LYS 683 2HD LYS 683 0.922 12.585 9.357 307 1HE LYS 683 1HE LYS 683 0.956 14.911 9.118 308 2HE LYS 683 2HE LYS 683 2.616 14.491 9.535 309 1HZ LYS 683 1HZ LYS 683 2.341 16.114 7.665 310 2HZ LYS 683 2HZ LYS 683 1.703 14.851 6.739 311 3HZ LYS 683 3HZ LYS 683 3.294 14.763 7.306 312 H GLU 684 H GLU 684 2.314 8.430 6.372 313 HA GLU 684 HA GLU 684 1.462 6.351 8.000 314 1HB GLU 684 1HB GLU 684 1.997 6.076 5.044 315 2HB GLU 684 2HB GLU 684 0.811 5.206 6.006 316 1HG GLU 684 1HG GLU 684 0.768 8.102 5.212 317 2HG GLU 684 2HG GLU 684 -0.353 6.829 4.734 318 H LEU 685 H LEU 685 4.365 6.600 6.003 319 HA LEU 685 HA LEU 685 5.307 4.011 6.136 320 1HB LEU 685 1HB LEU 685 6.487 5.486 4.766 321 2HB LEU 685 2HB LEU 685 6.693 6.666 6.059 322 HG LEU 685 HG LEU 685 8.208 4.891 7.150 323 1HD1 LEU 685 1HD1 LEU 685 7.582 3.024 5.724 324 2HD1 LEU 685 2HD1 LEU 685 9.301 3.381 5.564 325 3HD1 LEU 685 3HD1 LEU 685 8.175 3.889 4.306 326 1HD2 LEU 685 1HD2 LEU 685 8.724 6.764 4.947 327 2HD2 LEU 685 2HD2 LEU 685 9.986 5.561 5.215 328 3HD2 LEU 685 3HD2 LEU 685 9.492 6.628 6.530 329 H HIS 686 H HIS 686 6.224 6.654 8.354 330 HA HIS 686 HA HIS 686 7.626 5.059 10.172 331 1HB HIS 686 1HB HIS 686 7.676 6.929 11.586 332 2HB HIS 686 2HB HIS 686 7.537 7.629 9.976 333 HD1 HIS 686 1HD HIS 686 5.843 9.411 9.815 334 HD2 HIS 686 2HD HIS 686 4.923 6.684 12.812 335 HE1 HIS 686 1HE HIS 686 3.747 10.283 10.897 336 H LYS 687 H LYS 687 4.216 5.676 9.813 337 HA LYS 687 HA LYS 687 3.394 4.773 12.371 338 1HB LYS 687 1HB LYS 687 1.956 5.031 9.733 339 2HB LYS 687 2HB LYS 687 1.156 4.460 11.191 340 1HG LYS 687 1HG LYS 687 1.771 6.585 12.305 341 2HG LYS 687 2HG LYS 687 2.434 7.153 10.771 342 1HD LYS 687 1HD LYS 687 0.278 7.037 9.727 343 2HD LYS 687 2HD LYS 687 -0.419 6.252 11.145 344 1HE LYS 687 1HE LYS 687 0.872 8.928 11.430 345 2HE LYS 687 2HE LYS 687 -0.748 8.819 10.745 346 1HZ LYS 687 1HZ LYS 687 -1.149 7.345 12.847 347 2HZ LYS 687 2HZ LYS 687 -1.228 9.031 12.951 348 3HZ LYS 687 3HZ LYS 687 0.163 8.216 13.465 349 H ILE 688 H ILE 688 4.224 3.157 9.409 350 HA ILE 688 HA ILE 688 3.480 0.582 10.638 351 HB ILE 688 HB ILE 688 3.296 -0.353 8.382 352 1HG1 ILE 688 1HG1 ILE 688 3.500 2.449 7.297 353 2HG1 ILE 688 2HG1 ILE 688 4.910 1.402 7.415 354 1HG2 ILE 688 1HG2 ILE 688 1.183 0.187 8.964 355 2HG2 ILE 688 2HG2 ILE 688 1.601 1.857 9.345 356 3HG2 ILE 688 3HG2 ILE 688 1.357 1.369 7.668 357 1HD1 ILE 688 1HD1 ILE 688 3.233 1.570 5.276 358 2HD1 ILE 688 2HD1 ILE 688 4.314 0.220 5.623 359 3HD1 ILE 688 3HD1 ILE 688 2.622 0.145 6.116 360 H VAL 689 H VAL 689 6.035 2.415 10.381 361 HA VAL 689 HA VAL 689 7.947 0.733 9.078 362 HB VAL 689 HB VAL 689 8.140 3.255 9.479 363 1HG1 VAL 689 1HG1 VAL 689 9.384 2.458 12.088 364 2HG1 VAL 689 2HG1 VAL 689 8.930 4.065 11.518 365 3HG1 VAL 689 3HG1 VAL 689 7.682 2.909 11.986 366 1HG2 VAL 689 1HG2 VAL 689 9.953 1.499 8.778 367 2HG2 VAL 689 2HG2 VAL 689 10.418 3.152 9.177 368 3HG2 VAL 689 3HG2 VAL 689 10.626 1.867 10.366 369 H PHE 690 H PHE 690 6.888 1.217 12.403 370 HA PHE 690 HA PHE 690 8.895 -0.541 13.491 371 1HB PHE 690 1HB PHE 690 7.426 -0.286 15.592 372 2HB PHE 690 2HB PHE 690 8.242 1.150 14.982 373 HD1 PHE 690 1HD PHE 690 4.993 -0.645 14.891 374 HD2 PHE 690 2HD PHE 690 7.032 3.070 14.495 375 HE1 PHE 690 1HE PHE 690 2.831 0.524 14.771 376 HE2 PHE 690 2HE PHE 690 4.874 4.245 14.375 377 HZ PHE 690 HZ PHE 690 2.770 2.973 14.514 378 H ASP 691 H ASP 691 6.512 -1.272 11.549 379 HA ASP 691 HA ASP 691 5.366 -3.488 13.065 380 1HB ASP 691 1HB ASP 691 4.014 -1.941 11.523 381 2HB ASP 691 2HB ASP 691 4.766 -2.814 10.191 382 HA PRO 692 HA PRO 692 8.214 -6.436 11.448 383 1HB PRO 692 1HB PRO 692 6.751 -8.683 11.876 384 2HB PRO 692 2HB PRO 692 7.548 -7.793 13.179 385 1HG PRO 692 1HG PRO 692 4.685 -7.717 12.310 386 2HG PRO 692 2HG PRO 692 5.355 -7.764 13.951 387 1HD PRO 692 1HD PRO 692 4.467 -5.477 12.804 388 2HD PRO 692 2HD PRO 692 5.811 -5.504 13.964 389 H ARG 693 H ARG 693 4.806 -6.774 10.473 390 HA ARG 693 HA ARG 693 5.214 -8.371 8.220 391 1HB ARG 693 1HB ARG 693 3.072 -6.328 8.821 392 2HB ARG 693 2HB ARG 693 3.023 -7.405 7.432 393 1HG ARG 693 1HG ARG 693 2.915 -9.333 8.858 394 2HG ARG 693 2HG ARG 693 3.149 -8.331 10.292 395 1HD ARG 693 1HD ARG 693 0.859 -7.789 8.451 396 2HD ARG 693 2HD ARG 693 0.754 -9.110 9.614 397 HE ARG 693 HE ARG 693 1.595 -6.719 10.882 398 1HH1 ARG 693 2HH1 ARG 693 -1.210 -8.288 9.543 399 2HH1 ARG 693 1HH1 ARG 693 -2.329 -7.446 10.563 400 1HH2 ARG 693 2HH2 ARG 693 0.131 -5.604 12.230 401 2HH2 ARG 693 1HH2 ARG 693 -1.565 -5.918 12.090 402 H TYR 694 H TYR 694 5.883 -5.042 8.745 403 HA TYR 694 HA TYR 694 5.760 -4.123 6.071 404 1HB TYR 694 1HB TYR 694 5.762 -2.472 7.772 405 2HB TYR 694 2HB TYR 694 7.212 -3.132 8.520 406 HD1 TYR 694 1HD TYR 694 9.363 -3.098 7.011 407 HD2 TYR 694 2HD TYR 694 5.957 -0.625 6.390 408 HE1 TYR 694 1HE TYR 694 10.748 -1.523 5.726 409 HE2 TYR 694 2HE TYR 694 7.332 0.956 5.103 410 HH TYR 694 HH TYR 694 10.633 0.988 5.158 411 H LEU 695 H LEU 695 7.981 -6.120 7.725 412 HA LEU 695 HA LEU 695 10.117 -5.611 5.792 413 1HB LEU 695 1HB LEU 695 10.154 -7.482 8.150 414 2HB LEU 695 2HB LEU 695 11.534 -6.911 7.215 415 HG LEU 695 HG LEU 695 9.825 -5.013 8.791 416 1HD1 LEU 695 1HD1 LEU 695 12.185 -5.536 10.219 417 2HD1 LEU 695 2HD1 LEU 695 11.467 -7.104 9.851 418 3HD1 LEU 695 3HD1 LEU 695 10.525 -5.882 10.705 419 1HD2 LEU 695 1HD2 LEU 695 12.475 -4.966 7.437 420 2HD2 LEU 695 2HD2 LEU 695 12.240 -3.968 8.873 421 3HD2 LEU 695 3HD2 LEU 695 11.198 -3.749 7.466 422 H LEU 696 H LEU 696 7.418 -7.300 5.695 423 HA LEU 696 HA LEU 696 8.510 -9.833 4.762 424 1HB LEU 696 1HB LEU 696 5.662 -8.864 4.961 425 2HB LEU 696 2HB LEU 696 6.156 -10.492 4.501 426 HG LEU 696 HG LEU 696 6.693 -9.238 7.192 427 1HD1 LEU 696 1HD1 LEU 696 4.261 -9.649 6.613 428 2HD1 LEU 696 2HD1 LEU 696 4.872 -10.451 8.059 429 3HD1 LEU 696 3HD1 LEU 696 4.665 -11.365 6.565 430 1HD2 LEU 696 1HD2 LEU 696 7.021 -12.050 6.152 431 2HD2 LEU 696 2HD2 LEU 696 7.193 -11.568 7.840 432 3HD2 LEU 696 3HD2 LEU 696 8.308 -10.940 6.625 433 H LEU 697 H LEU 697 7.087 -6.898 3.515 434 HA LEU 697 HA LEU 697 7.160 -7.993 0.790 435 1HB LEU 697 1HB LEU 697 5.708 -5.704 2.057 436 2HB LEU 697 2HB LEU 697 5.964 -5.741 0.314 437 HG LEU 697 HG LEU 697 4.483 -7.830 1.911 438 1HD1 LEU 697 1HD1 LEU 697 3.351 -5.844 -0.043 439 2HD1 LEU 697 2HD1 LEU 697 3.388 -5.569 1.699 440 3HD1 LEU 697 3HD1 LEU 697 2.479 -6.929 1.040 441 1HD2 LEU 697 1HD2 LEU 697 3.796 -8.102 -0.729 442 2HD2 LEU 697 2HD2 LEU 697 4.949 -9.114 0.141 443 3HD2 LEU 697 3HD2 LEU 697 5.521 -7.745 -0.815 444 H ASN 698 H ASN 698 8.157 -6.802 -0.901 445 HA ASN 698 HA ASN 698 10.686 -5.792 -0.317 446 1HB ASN 698 1HB ASN 698 8.944 -5.860 -2.726 447 2HB ASN 698 2HB ASN 698 10.300 -4.736 -2.750 448 1HD2 ASN 698 1HD2 ASN 698 10.985 -6.123 -4.535 449 2HD2 ASN 698 2HD2 ASN 698 11.893 -7.548 -4.175 450 HA PRO 699 HA PRO 699 10.215 -1.547 0.686 451 1HB PRO 699 1HB PRO 699 12.250 -0.378 -0.680 452 2HB PRO 699 2HB PRO 699 12.507 -1.396 0.742 453 1HG PRO 699 1HG PRO 699 12.756 -2.095 -2.158 454 2HG PRO 699 2HG PRO 699 13.823 -2.525 -0.808 455 1HD PRO 699 1HD PRO 699 12.000 -4.247 -1.829 456 2HD PRO 699 2HD PRO 699 12.459 -4.249 -0.114 457 H LYS 700 H LYS 700 10.633 -2.177 -2.777 458 HA LYS 700 HA LYS 700 9.547 0.321 -3.619 459 1HB LYS 700 1HB LYS 700 11.056 -0.926 -5.063 460 2HB LYS 700 2HB LYS 700 9.934 -2.279 -5.113 461 1HG LYS 700 1HG LYS 700 8.288 -0.836 -6.245 462 2HG LYS 700 2HG LYS 700 9.475 0.470 -6.254 463 1HD LYS 700 1HD LYS 700 9.757 -0.446 -8.357 464 2HD LYS 700 2HD LYS 700 10.998 -1.287 -7.426 465 1HE LYS 700 1HE LYS 700 9.194 -3.080 -7.042 466 2HE LYS 700 2HE LYS 700 8.338 -2.303 -8.373 467 1HZ LYS 700 1HZ LYS 700 11.015 -2.703 -9.120 468 2HZ LYS 700 2HZ LYS 700 9.621 -3.379 -9.797 469 3HZ LYS 700 3HZ LYS 700 10.407 -4.163 -8.521 470 H GLU 701 H GLU 701 8.244 -2.972 -3.375 471 HA GLU 701 HA GLU 701 5.721 -2.495 -4.451 472 1HB GLU 701 1HB GLU 701 6.687 -4.453 -2.377 473 2HB GLU 701 2HB GLU 701 5.016 -4.429 -2.922 474 1HG GLU 701 1HG GLU 701 5.845 -4.749 -5.249 475 2HG GLU 701 2HG GLU 701 7.464 -4.958 -4.585 476 H ARG 702 H ARG 702 6.710 -2.428 -1.027 477 HA ARG 702 HA ARG 702 4.455 -1.851 0.290 478 1HB ARG 702 1HB ARG 702 7.157 -0.551 0.576 479 2HB ARG 702 2HB ARG 702 5.837 -0.199 1.683 480 1HG ARG 702 1HG ARG 702 5.800 -2.389 2.514 481 2HG ARG 702 2HG ARG 702 6.758 -3.005 1.166 482 1HD ARG 702 1HD ARG 702 8.531 -1.287 2.090 483 2HD ARG 702 2HD ARG 702 7.618 -1.497 3.584 484 HE ARG 702 HE ARG 702 8.098 -4.038 2.759 485 1HH1 ARG 702 2HH1 ARG 702 10.112 -1.258 3.340 486 2HH1 ARG 702 1HH1 ARG 702 11.494 -2.193 3.804 487 1HH2 ARG 702 2HH2 ARG 702 9.912 -5.281 3.369 488 2HH2 ARG 702 1HH2 ARG 702 11.379 -4.481 3.819 489 H LYS 703 H LYS 703 6.359 0.628 -1.420 490 HA LYS 703 HA LYS 703 4.536 2.735 -0.960 491 1HB LYS 703 1HB LYS 703 6.866 3.143 -1.574 492 2HB LYS 703 2HB LYS 703 6.600 2.397 -3.144 493 1HG LYS 703 1HG LYS 703 6.499 4.651 -3.624 494 2HG LYS 703 2HG LYS 703 4.797 4.218 -3.448 495 1HD LYS 703 1HD LYS 703 5.150 4.909 -0.967 496 2HD LYS 703 2HD LYS 703 6.563 5.764 -1.590 497 1HE LYS 703 1HE LYS 703 4.673 7.266 -1.510 498 2HE LYS 703 2HE LYS 703 5.104 6.946 -3.189 499 1HZ LYS 703 1HZ LYS 703 3.239 5.028 -2.464 500 2HZ LYS 703 2HZ LYS 703 3.019 6.328 -3.523 501 3HZ LYS 703 3HZ LYS 703 2.644 6.501 -1.883 502 H GLN 704 H GLN 704 4.988 0.542 -3.711 503 HA GLN 704 HA GLN 704 3.116 1.648 -5.444 504 1HB GLN 704 1HB GLN 704 4.164 -1.140 -5.074 505 2HB GLN 704 2HB GLN 704 2.911 -0.809 -6.262 506 1HG GLN 704 1HG GLN 704 4.323 0.633 -7.490 507 2HG GLN 704 2HG GLN 704 5.523 0.670 -6.199 508 1HE2 GLN 704 1HE2 GLN 704 5.216 -0.349 -9.157 509 2HE2 GLN 704 2HE2 GLN 704 6.072 -1.849 -9.111 510 H VAL 705 H VAL 705 2.630 -1.113 -3.235 511 HA VAL 705 HA VAL 705 -0.123 -1.372 -3.641 512 HB VAL 705 HB VAL 705 1.532 -2.068 -1.214 513 1HG1 VAL 705 1HG1 VAL 705 -0.868 -1.793 -0.671 514 2HG1 VAL 705 2HG1 VAL 705 -1.253 -3.003 -1.896 515 3HG1 VAL 705 3HG1 VAL 705 -0.301 -3.452 -0.481 516 1HG2 VAL 705 1HG2 VAL 705 2.337 -3.447 -2.859 517 2HG2 VAL 705 2HG2 VAL 705 0.992 -4.419 -2.263 518 3HG2 VAL 705 3HG2 VAL 705 0.809 -3.473 -3.739 519 H PHE 706 H PHE 706 1.701 0.798 -1.611 520 HA PHE 706 HA PHE 706 -0.466 1.618 0.043 521 1HB PHE 706 1HB PHE 706 1.703 2.003 0.907 522 2HB PHE 706 2HB PHE 706 2.235 2.803 -0.568 523 HD1 PHE 706 1HD PHE 706 2.290 5.103 -0.636 524 HD2 PHE 706 2HD PHE 706 -0.260 3.173 2.173 525 HE1 PHE 706 1HE PHE 706 1.720 7.288 0.342 526 HE2 PHE 706 2HE PHE 706 -0.834 5.354 3.155 527 HZ PHE 706 HZ PHE 706 0.155 7.415 2.240 528 H ASP 707 H ASP 707 1.082 3.034 -2.824 529 HA ASP 707 HA ASP 707 -0.439 5.354 -3.011 530 1HB ASP 707 1HB ASP 707 1.604 4.736 -4.376 531 2HB ASP 707 2HB ASP 707 0.538 3.757 -5.381 532 H GLN 708 H GLN 708 -1.012 2.216 -4.601 533 HA GLN 708 HA GLN 708 -3.424 2.914 -5.840 534 1HB GLN 708 1HB GLN 708 -3.583 0.709 -6.454 535 2HB GLN 708 2HB GLN 708 -1.872 0.789 -6.053 536 1HG GLN 708 1HG GLN 708 -2.479 -0.036 -3.760 537 2HG GLN 708 2HG GLN 708 -4.103 -0.329 -4.381 538 1HE2 GLN 708 1HE2 GLN 708 -3.255 -2.511 -3.526 539 2HE2 GLN 708 2HE2 GLN 708 -2.544 -3.544 -4.714 540 H TYR 709 H TYR 709 -2.770 1.519 -2.657 541 HA TYR 709 HA TYR 709 -5.404 0.987 -1.893 542 1HB TYR 709 1HB TYR 709 -3.768 0.068 -0.500 543 2HB TYR 709 2HB TYR 709 -2.890 1.587 -0.364 544 HD1 TYR 709 1HD TYR 709 -5.476 -0.504 1.041 545 HD2 TYR 709 2HD TYR 709 -3.832 3.420 1.061 546 HE1 TYR 709 1HE TYR 709 -6.618 -0.043 3.170 547 HE2 TYR 709 2HE TYR 709 -4.969 3.892 3.190 548 HH TYR 709 HH TYR 709 -7.439 2.340 4.338 549 H VAL 710 H VAL 710 -3.478 3.938 -1.620 550 HA VAL 710 HA VAL 710 -5.403 5.414 -0.146 551 HB VAL 710 HB VAL 710 -3.125 6.365 -1.886 552 1HG1 VAL 710 1HG1 VAL 710 -3.403 8.535 -0.991 553 2HG1 VAL 710 2HG1 VAL 710 -5.002 8.024 -1.534 554 3HG1 VAL 710 3HG1 VAL 710 -4.596 7.979 0.182 555 1HG2 VAL 710 1HG2 VAL 710 -1.927 6.669 0.188 556 2HG2 VAL 710 2HG2 VAL 710 -3.338 6.160 1.117 557 3HG2 VAL 710 3HG2 VAL 710 -2.498 5.003 0.084 558 H LYS 711 H LYS 711 -4.653 5.168 -3.599 559 HA LYS 711 HA LYS 711 -6.313 7.146 -4.592 560 1HB LYS 711 1HB LYS 711 -4.658 5.462 -5.768 561 2HB LYS 711 2HB LYS 711 -6.129 4.537 -6.039 562 1HG LYS 711 1HG LYS 711 -7.122 6.490 -7.161 563 2HG LYS 711 2HG LYS 711 -5.604 7.363 -6.938 564 1HD LYS 711 1HD LYS 711 -5.311 6.561 -9.066 565 2HD LYS 711 2HD LYS 711 -4.595 5.245 -8.132 566 1HE LYS 711 1HE LYS 711 -6.701 4.010 -8.259 567 2HE LYS 711 2HE LYS 711 -7.424 5.329 -9.179 568 1HZ LYS 711 1HZ LYS 711 -6.033 4.899 -11.000 569 2HZ LYS 711 2HZ LYS 711 -6.564 3.375 -10.494 570 3HZ LYS 711 3HZ LYS 711 -5.003 3.898 -10.105 571 H THR 712 H THR 712 -7.109 3.719 -4.041 572 HA THR 712 HA THR 712 -9.827 3.957 -4.788 573 HB THR 712 HB THR 712 -10.128 1.781 -3.608 574 HG1 THR 712 1HG THR 712 -7.592 2.478 -2.663 575 1HG2 THR 712 1HG2 THR 712 -9.209 0.636 -5.335 576 2HG2 THR 712 2HG2 THR 712 -7.624 1.378 -5.122 577 3HG2 THR 712 3HG2 THR 712 -8.903 2.256 -5.961 578 H ARG 713 H ARG 713 -8.133 4.310 -1.726 579 HA ARG 713 HA ARG 713 -10.418 4.356 -0.061 580 1HB ARG 713 1HB ARG 713 -7.587 5.304 0.240 581 2HB ARG 713 2HB ARG 713 -8.785 5.684 1.471 582 1HG ARG 713 1HG ARG 713 -8.196 2.886 0.541 583 2HG ARG 713 2HG ARG 713 -7.395 3.652 1.914 584 1HD ARG 713 1HD ARG 713 -9.114 2.519 2.951 585 2HD ARG 713 2HD ARG 713 -9.827 4.115 2.721 586 HE ARG 713 HE ARG 713 -10.358 2.296 0.562 587 1HH1 ARG 713 2HH1 ARG 713 -11.392 3.389 3.701 588 2HH1 ARG 713 1HH1 ARG 713 -13.035 2.884 3.480 589 1HH2 ARG 713 2HH2 ARG 713 -12.517 1.626 0.259 590 2HH2 ARG 713 1HH2 ARG 713 -13.673 1.881 1.522 591 H ALA 714 H ALA 714 -8.849 6.764 -2.027 592 HA ALA 714 HA ALA 714 -10.266 8.978 -0.823 593 1HB ALA 714 1HB ALA 714 -8.782 9.095 -3.426 594 2HB ALA 714 2HB ALA 714 -9.044 10.374 -2.239 595 3HB ALA 714 3HB ALA 714 -7.932 9.052 -1.881 596 H GLU 715 H GLU 715 -10.356 7.219 -3.910 597 HA GLU 715 HA GLU 715 -12.379 8.688 -5.142 598 1HB GLU 715 1HB GLU 715 -12.403 7.050 -6.752 599 2HB GLU 715 2HB GLU 715 -10.847 6.722 -6.002 600 1HG GLU 715 1HG GLU 715 -11.816 4.933 -4.695 601 2HG GLU 715 2HG GLU 715 -13.413 5.292 -5.349 602 H GLU 716 H GLU 716 -12.578 5.907 -2.964 603 HA GLU 716 HA GLU 716 -15.174 5.169 -3.085 604 1HB GLU 716 1HB GLU 716 -13.314 4.438 -1.442 605 2HB GLU 716 2HB GLU 716 -13.939 5.708 -0.398 606 1HG GLU 716 1HG GLU 716 -15.746 3.602 -1.518 607 2HG GLU 716 2HG GLU 716 -14.787 3.310 -0.068 608 H GLU 717 H GLU 717 -13.962 8.218 -1.954 609 HA GLU 717 HA GLU 717 -16.130 9.123 -0.449 610 1HB GLU 717 1HB GLU 717 -13.767 10.181 -0.979 611 2HB GLU 717 2HB GLU 717 -14.668 11.022 -2.232 612 1HG GLU 717 1HG GLU 717 -16.255 11.775 -0.433 613 2HG GLU 717 2HG GLU 717 -15.104 11.133 0.737 614 H ARG 718 H ARG 718 -15.479 9.564 -3.923 615 HA ARG 718 HA ARG 718 -17.480 11.078 -4.813 616 1HB ARG 718 1HB ARG 718 -15.793 9.456 -6.071 617 2HB ARG 718 2HB ARG 718 -17.235 8.458 -6.213 618 1HG ARG 718 1HG ARG 718 -18.279 10.742 -7.055 619 2HG ARG 718 2HG ARG 718 -16.594 11.063 -7.470 620 1HD ARG 718 1HD ARG 718 -16.650 8.728 -8.560 621 2HD ARG 718 2HD ARG 718 -18.403 8.892 -8.469 622 HE ARG 718 HE ARG 718 -17.525 11.203 -9.654 623 1HH1 ARG 718 2HH1 ARG 718 -17.270 7.797 -10.325 624 2HH1 ARG 718 1HH1 ARG 718 -17.195 8.008 -12.043 625 1HH2 ARG 718 2HH2 ARG 718 -17.427 11.494 -11.915 626 2HH2 ARG 718 1HH2 ARG 718 -17.283 10.111 -12.946 627 H ARG 719 H ARG 719 -17.877 7.725 -3.759 628 HA ARG 719 HA ARG 719 -20.622 7.516 -4.420 629 1HB ARG 719 1HB ARG 719 -18.813 5.989 -2.564 630 2HB ARG 719 2HB ARG 719 -20.530 5.625 -2.670 631 1HG ARG 719 1HG ARG 719 -18.835 5.701 -5.132 632 2HG ARG 719 2HG ARG 719 -18.872 4.271 -4.099 633 1HD ARG 719 1HD ARG 719 -21.389 4.342 -4.312 634 2HD ARG 719 2HD ARG 719 -21.162 5.558 -5.567 635 HE ARG 719 HE ARG 719 -19.590 3.301 -6.158 636 1HH1 ARG 719 2HH1 ARG 719 -22.919 4.317 -6.050 637 2HH1 ARG 719 1HH1 ARG 719 -23.432 3.210 -7.279 638 1HH2 ARG 719 2HH2 ARG 719 -20.255 1.839 -7.778 639 2HH2 ARG 719 1HH2 ARG 719 -21.916 1.800 -8.261 640 H SER 720 H SER 720 -22.460 7.737 -3.160 641 HA SER 720 HA SER 720 -22.790 9.866 -1.542 642 1HB SER 720 1HB SER 720 -24.786 8.754 -0.597 643 2HB SER 720 2HB SER 720 -24.668 8.518 -2.340 644 HG SER 720 HG SER 720 -23.959 6.665 -0.311 645 H GLY 721 H GLY 721 -22.032 6.584 -0.386 646 1HA GLY 721 1HA GLY 721 -20.182 6.973 1.467 647 2HA GLY 721 2HA GLY 721 -21.582 7.625 2.305 648 HA PRO 722 HA PRO 722 -21.173 2.963 2.931 649 1HB PRO 722 1HB PRO 722 -20.683 3.034 5.600 650 2HB PRO 722 2HB PRO 722 -19.399 3.082 4.386 651 1HG PRO 722 1HG PRO 722 -20.640 5.333 5.921 652 2HG PRO 722 2HG PRO 722 -18.931 5.041 5.549 653 1HD PRO 722 1HD PRO 722 -20.443 6.805 4.159 654 2HD PRO 722 2HD PRO 722 -19.122 5.884 3.413 655 H SER 723 H SER 723 -23.051 5.568 3.915 656 HA SER 723 HA SER 723 -24.741 4.579 5.865 657 1HB SER 723 1HB SER 723 -26.297 6.248 5.213 658 2HB SER 723 2HB SER 723 -24.711 6.912 4.819 659 HG SER 723 HG SER 723 -25.079 6.176 2.650 660 H SER 724 H SER 724 -26.470 3.234 5.927 661 HA SER 724 HA SER 724 -27.433 2.072 3.412 662 1HB SER 724 1HB SER 724 -27.486 -0.175 4.698 663 2HB SER 724 2HB SER 724 -25.939 0.380 4.058 664 HG SER 724 HG SER 724 -26.665 1.125 6.657 665 H GLY 725 H GLY 725 -29.586 1.941 3.313 666 1HA GLY 725 1HA GLY 725 -31.091 2.460 5.792 667 2HA GLY 725 2HA GLY 725 -31.660 2.815 4.167 Start of MODEL 2 1 1H GLY 644 H GLY 644 -4.779 -27.074 25.758 2 1HA GLY 644 1HA GLY 644 -2.409 -26.666 25.364 3 2HA GLY 644 2HA GLY 644 -2.936 -27.963 24.302 4 H SER 645 H SER 645 -0.844 -25.759 24.123 5 HA SER 645 HA SER 645 -1.286 -25.191 21.328 6 1HB SER 645 1HB SER 645 -1.102 -22.930 23.333 7 2HB SER 645 2HB SER 645 -0.994 -22.735 21.583 8 HG SER 645 HG SER 645 -3.180 -22.927 23.123 9 H SER 646 H SER 646 0.602 -24.591 20.231 10 HA SER 646 HA SER 646 3.069 -24.428 21.801 11 1HB SER 646 1HB SER 646 4.172 -26.143 20.565 12 2HB SER 646 2HB SER 646 2.626 -26.822 21.072 13 HG SER 646 HG SER 646 2.943 -27.284 18.904 14 H GLY 647 H GLY 647 4.983 -24.000 20.231 15 1HA GLY 647 1HA GLY 647 4.837 -22.971 17.723 16 2HA GLY 647 2HA GLY 647 4.272 -21.644 18.727 17 H SER 648 H SER 648 6.953 -23.091 17.358 18 HA SER 648 HA SER 648 8.728 -21.238 18.669 19 1HB SER 648 1HB SER 648 8.568 -23.401 20.111 20 2HB SER 648 2HB SER 648 9.550 -24.124 18.837 21 HG SER 648 HG SER 648 10.363 -21.673 19.907 22 H SER 649 H SER 649 9.822 -20.401 17.033 23 HA SER 649 HA SER 649 10.133 -21.806 14.544 24 1HB SER 649 1HB SER 649 11.162 -19.110 15.461 25 2HB SER 649 2HB SER 649 11.313 -19.732 13.818 26 HG SER 649 HG SER 649 9.468 -18.340 14.184 27 H GLY 650 H GLY 650 11.928 -22.751 13.715 28 1HA GLY 650 1HA GLY 650 14.557 -22.327 14.720 29 2HA GLY 650 2HA GLY 650 13.879 -23.816 15.363 30 H ALA 651 H ALA 651 13.804 -22.223 12.173 31 HA ALA 651 HA ALA 651 15.075 -24.602 11.024 32 1HB ALA 651 1HB ALA 651 12.773 -25.043 10.652 33 2HB ALA 651 2HB ALA 651 12.476 -23.391 10.110 34 3HB ALA 651 3HB ALA 651 13.440 -24.485 9.117 35 H ARG 652 H ARG 652 16.744 -24.036 9.802 36 HA ARG 652 HA ARG 652 17.469 -21.391 9.271 37 1HB ARG 652 1HB ARG 652 18.846 -23.632 9.223 38 2HB ARG 652 2HB ARG 652 18.435 -23.610 7.513 39 1HG ARG 652 1HG ARG 652 20.456 -22.537 7.500 40 2HG ARG 652 2HG ARG 652 19.349 -21.168 7.621 41 1HD ARG 652 1HD ARG 652 19.643 -21.426 10.163 42 2HD ARG 652 2HD ARG 652 21.046 -22.414 9.757 43 HE ARG 652 HE ARG 652 21.106 -19.915 8.401 44 1HH1 ARG 652 2HH1 ARG 652 21.678 -21.418 11.489 45 2HH1 ARG 652 1HH1 ARG 652 22.833 -20.232 11.999 46 1HH2 ARG 652 2HH2 ARG 652 22.626 -18.347 9.061 47 2HH2 ARG 652 1HH2 ARG 652 23.372 -18.485 10.617 48 H GLU 653 H GLU 653 16.012 -23.826 7.129 49 HA GLU 653 HA GLU 653 15.873 -22.112 4.868 50 1HB GLU 653 1HB GLU 653 15.835 -24.569 4.690 51 2HB GLU 653 2HB GLU 653 14.271 -24.600 5.491 52 1HG GLU 653 1HG GLU 653 13.934 -24.853 3.143 53 2HG GLU 653 2HG GLU 653 13.340 -23.266 3.627 54 H ARG 654 H ARG 654 14.943 -20.180 5.672 55 HA ARG 654 HA ARG 654 12.494 -19.979 6.999 56 1HB ARG 654 1HB ARG 654 12.450 -17.640 6.099 57 2HB ARG 654 2HB ARG 654 13.946 -18.079 6.912 58 1HG ARG 654 1HG ARG 654 15.060 -18.385 4.797 59 2HG ARG 654 2HG ARG 654 13.552 -18.094 3.928 60 1HD ARG 654 1HD ARG 654 15.005 -16.116 5.682 61 2HD ARG 654 2HD ARG 654 14.977 -16.112 3.919 62 HE ARG 654 HE ARG 654 12.840 -15.244 3.972 63 1HH1 ARG 654 2HH1 ARG 654 13.830 -16.199 7.170 64 2HH1 ARG 654 1HH1 ARG 654 12.504 -15.409 7.958 65 1HH2 ARG 654 2HH2 ARG 654 11.090 -14.200 4.998 66 2HH2 ARG 654 1HH2 ARG 654 10.946 -14.273 6.722 67 H ALA 655 H ALA 655 10.393 -19.565 6.291 68 HA ALA 655 HA ALA 655 9.759 -20.727 3.703 69 1HB ALA 655 1HB ALA 655 7.460 -20.735 4.473 70 2HB ALA 655 2HB ALA 655 8.515 -21.431 5.703 71 3HB ALA 655 3HB ALA 655 7.908 -19.786 5.890 72 H ILE 656 H ILE 656 8.426 -19.702 2.146 73 HA ILE 656 HA ILE 656 8.436 -16.759 2.309 74 HB ILE 656 HB ILE 656 8.789 -18.468 -0.156 75 1HG1 ILE 656 1HG1 ILE 656 10.823 -18.430 1.128 76 2HG1 ILE 656 2HG1 ILE 656 11.026 -17.335 -0.236 77 1HG2 ILE 656 1HG2 ILE 656 9.288 -16.167 -1.177 78 2HG2 ILE 656 2HG2 ILE 656 7.603 -16.599 -0.889 79 3HG2 ILE 656 3HG2 ILE 656 8.438 -15.516 0.224 80 1HD1 ILE 656 1HD1 ILE 656 11.860 -16.013 1.391 81 2HD1 ILE 656 2HD1 ILE 656 10.158 -15.585 1.570 82 3HD1 ILE 656 3HD1 ILE 656 10.889 -16.765 2.657 83 H VAL 657 H VAL 657 6.397 -16.188 2.745 84 HA VAL 657 HA VAL 657 4.100 -17.657 2.039 85 HB VAL 657 HB VAL 657 2.897 -15.443 2.513 86 1HG1 VAL 657 1HG1 VAL 657 2.765 -16.834 4.305 87 2HG1 VAL 657 2HG1 VAL 657 4.511 -17.084 4.381 88 3HG1 VAL 657 3HG1 VAL 657 3.803 -15.596 5.012 89 1HG2 VAL 657 1HG2 VAL 657 5.587 -14.514 2.367 90 2HG2 VAL 657 2HG2 VAL 657 4.110 -13.586 2.625 91 3HG2 VAL 657 3HG2 VAL 657 4.985 -14.253 4.004 92 HA PRO 658 HA PRO 658 3.288 -16.526 -2.126 93 1HB PRO 658 1HB PRO 658 0.574 -16.503 -2.139 94 2HB PRO 658 2HB PRO 658 1.521 -17.993 -2.051 95 1HG PRO 658 1HG PRO 658 0.180 -16.469 0.149 96 2HG PRO 658 2HG PRO 658 0.232 -18.220 -0.130 97 1HD PRO 658 1HD PRO 658 1.828 -16.984 1.676 98 2HD PRO 658 2HD PRO 658 2.339 -18.429 0.780 99 H LEU 659 H LEU 659 2.589 -14.827 -3.479 100 HA LEU 659 HA LEU 659 2.907 -12.260 -2.608 101 1HB LEU 659 1HB LEU 659 2.808 -13.046 -4.977 102 2HB LEU 659 2HB LEU 659 1.051 -13.064 -4.841 103 HG LEU 659 HG LEU 659 1.161 -10.602 -4.356 104 1HD1 LEU 659 1HD1 LEU 659 3.678 -10.136 -5.629 105 2HD1 LEU 659 2HD1 LEU 659 3.917 -11.140 -4.199 106 3HD1 LEU 659 3HD1 LEU 659 3.104 -9.581 -4.056 107 1HD2 LEU 659 1HD2 LEU 659 2.292 -11.473 -7.013 108 2HD2 LEU 659 2HD2 LEU 659 1.422 -9.976 -6.678 109 3HD2 LEU 659 3HD2 LEU 659 0.586 -11.526 -6.568 110 H GLU 660 H GLU 660 -0.180 -13.984 -2.973 111 HA GLU 660 HA GLU 660 -1.878 -11.907 -2.215 112 1HB GLU 660 1HB GLU 660 -2.370 -14.321 -3.123 113 2HB GLU 660 2HB GLU 660 -2.480 -14.728 -1.416 114 1HG GLU 660 1HG GLU 660 -4.658 -14.215 -2.457 115 2HG GLU 660 2HG GLU 660 -4.266 -13.172 -1.092 116 H ALA 661 H ALA 661 -0.023 -14.172 -0.274 117 HA ALA 661 HA ALA 661 -1.236 -13.571 2.215 118 1HB ALA 661 1HB ALA 661 1.222 -14.411 2.940 119 2HB ALA 661 2HB ALA 661 -0.092 -15.494 2.477 120 3HB ALA 661 3HB ALA 661 1.140 -15.047 1.296 121 H ARG 662 H ARG 662 2.100 -12.775 1.242 122 HA ARG 662 HA ARG 662 2.657 -10.901 3.150 123 1HB ARG 662 1HB ARG 662 4.185 -9.856 1.392 124 2HB ARG 662 2HB ARG 662 4.428 -11.562 1.744 125 1HG ARG 662 1HG ARG 662 2.748 -11.837 -0.285 126 2HG ARG 662 2HG ARG 662 3.401 -10.253 -0.708 127 1HD ARG 662 1HD ARG 662 4.868 -12.855 -0.378 128 2HD ARG 662 2HD ARG 662 4.771 -11.826 -1.807 129 HE ARG 662 HE ARG 662 5.963 -10.377 0.278 130 1HH1 ARG 662 2HH1 ARG 662 6.625 -13.070 -1.826 131 2HH1 ARG 662 1HH1 ARG 662 8.341 -12.836 -1.800 132 1HH2 ARG 662 2HH2 ARG 662 8.221 -10.058 0.320 133 2HH2 ARG 662 1HH2 ARG 662 9.248 -11.124 -0.579 134 H MET 663 H MET 663 1.253 -10.240 -0.058 135 HA MET 663 HA MET 663 0.953 -7.487 0.225 136 1HB MET 663 1HB MET 663 -0.489 -9.556 -1.401 137 2HB MET 663 2HB MET 663 -1.030 -7.883 -1.417 138 1HG MET 663 1HG MET 663 1.337 -7.264 -2.050 139 2HG MET 663 2HG MET 663 1.613 -8.984 -2.312 140 1HE MET 663 1HE MET 663 1.076 -5.867 -3.764 141 2HE MET 663 2HE MET 663 2.005 -6.855 -4.891 142 3HE MET 663 3HE MET 663 0.456 -6.171 -5.387 143 H LYS 664 H LYS 664 -1.390 -10.073 0.924 144 HA LYS 664 HA LYS 664 -3.532 -8.548 1.750 145 1HB LYS 664 1HB LYS 664 -2.550 -11.279 2.400 146 2HB LYS 664 2HB LYS 664 -3.801 -10.605 3.436 147 1HG LYS 664 1HG LYS 664 -4.044 -10.735 0.443 148 2HG LYS 664 2HG LYS 664 -4.604 -12.017 1.520 149 1HD LYS 664 1HD LYS 664 -5.485 -9.161 1.844 150 2HD LYS 664 2HD LYS 664 -6.321 -10.282 0.767 151 1HE LYS 664 1HE LYS 664 -6.755 -11.780 2.628 152 2HE LYS 664 2HE LYS 664 -5.850 -10.727 3.714 153 1HZ LYS 664 1HZ LYS 664 -8.092 -9.573 2.227 154 2HZ LYS 664 2HZ LYS 664 -7.515 -9.197 3.772 155 3HZ LYS 664 3HZ LYS 664 -8.448 -10.588 3.534 156 H GLN 665 H GLN 665 -0.705 -9.557 3.622 157 HA GLN 665 HA GLN 665 -1.548 -8.600 6.121 158 1HB GLN 665 1HB GLN 665 1.274 -8.802 5.056 159 2HB GLN 665 2HB GLN 665 0.818 -8.667 6.749 160 1HG GLN 665 1HG GLN 665 -0.309 -10.819 6.633 161 2HG GLN 665 2HG GLN 665 0.106 -10.953 4.925 162 1HE2 GLN 665 1HE2 GLN 665 1.209 -11.252 8.169 163 2HE2 GLN 665 2HE2 GLN 665 2.771 -11.896 7.810 164 H PHE 666 H PHE 666 0.875 -7.086 3.982 165 HA PHE 666 HA PHE 666 1.144 -4.675 5.215 166 1HB PHE 666 1HB PHE 666 2.275 -5.561 3.074 167 2HB PHE 666 2HB PHE 666 0.927 -4.820 2.217 168 HD1 PHE 666 1HD PHE 666 3.893 -4.184 4.279 169 HD2 PHE 666 2HD PHE 666 0.748 -2.445 1.998 170 HE1 PHE 666 1HE PHE 666 5.064 -2.020 4.320 171 HE2 PHE 666 2HE PHE 666 1.914 -0.279 2.034 172 HZ PHE 666 HZ PHE 666 4.076 -0.065 3.195 173 H LYS 667 H LYS 667 -1.317 -5.487 2.781 174 HA LYS 667 HA LYS 667 -2.602 -2.983 2.783 175 1HB LYS 667 1HB LYS 667 -2.823 -5.045 1.176 176 2HB LYS 667 2HB LYS 667 -4.114 -5.517 2.274 177 1HG LYS 667 1HG LYS 667 -5.450 -3.740 1.686 178 2HG LYS 667 2HG LYS 667 -4.088 -2.758 1.142 179 1HD LYS 667 1HD LYS 667 -3.806 -4.247 -0.792 180 2HD LYS 667 2HD LYS 667 -5.189 -5.201 -0.250 181 1HE LYS 667 1HE LYS 667 -6.663 -3.319 -0.546 182 2HE LYS 667 2HE LYS 667 -5.302 -2.264 -0.924 183 1HZ LYS 667 1HZ LYS 667 -5.432 -2.858 -3.038 184 2HZ LYS 667 2HZ LYS 667 -6.811 -3.773 -2.693 185 3HZ LYS 667 3HZ LYS 667 -5.283 -4.497 -2.647 186 H ASP 668 H ASP 668 -3.175 -5.930 4.656 187 HA ASP 668 HA ASP 668 -5.536 -5.250 5.924 188 1HB ASP 668 1HB ASP 668 -3.224 -6.993 6.610 189 2HB ASP 668 2HB ASP 668 -4.352 -6.601 7.905 190 H MET 669 H MET 669 -2.248 -4.235 6.648 191 HA MET 669 HA MET 669 -2.909 -2.951 9.115 192 1HB MET 669 1HB MET 669 -0.522 -2.118 7.536 193 2HB MET 669 2HB MET 669 -0.679 -2.403 9.264 194 1HG MET 669 1HG MET 669 -0.886 -4.855 8.716 195 2HG MET 669 2HG MET 669 -0.406 -4.436 7.073 196 1HE MET 669 1HE MET 669 1.334 -2.586 6.868 197 2HE MET 669 2HE MET 669 2.594 -2.228 8.048 198 3HE MET 669 3HE MET 669 2.843 -3.500 6.851 199 H LEU 670 H LEU 670 -1.902 -1.609 5.962 200 HA LEU 670 HA LEU 670 -2.242 1.034 6.334 201 1HB LEU 670 1HB LEU 670 -3.297 -0.457 3.936 202 2HB LEU 670 2HB LEU 670 -2.853 1.248 3.995 203 HG LEU 670 HG LEU 670 -0.911 -1.028 4.382 204 1HD1 LEU 670 1HD1 LEU 670 -1.917 0.332 1.953 205 2HD1 LEU 670 2HD1 LEU 670 -1.319 -1.313 2.171 206 3HD1 LEU 670 3HD1 LEU 670 -0.182 0.029 2.049 207 1HD2 LEU 670 1HD2 LEU 670 0.354 0.614 5.208 208 2HD2 LEU 670 2HD2 LEU 670 -0.761 1.867 4.661 209 3HD2 LEU 670 3HD2 LEU 670 0.448 1.216 3.553 210 H LEU 671 H LEU 671 -4.857 -1.286 5.779 211 HA LEU 671 HA LEU 671 -6.904 0.729 5.881 212 1HB LEU 671 1HB LEU 671 -7.107 -1.373 4.579 213 2HB LEU 671 2HB LEU 671 -7.163 -2.267 6.097 214 HG LEU 671 HG LEU 671 -9.235 -0.841 6.628 215 1HD1 LEU 671 1HD1 LEU 671 -9.841 0.691 5.148 216 2HD1 LEU 671 2HD1 LEU 671 -10.110 -0.585 3.961 217 3HD1 LEU 671 3HD1 LEU 671 -8.536 0.205 4.066 218 1HD2 LEU 671 1HD2 LEU 671 -10.662 -2.441 5.616 219 2HD2 LEU 671 2HD2 LEU 671 -9.158 -3.279 6.000 220 3HD2 LEU 671 3HD2 LEU 671 -9.492 -2.781 4.341 221 H GLU 672 H GLU 672 -5.873 -1.913 8.035 222 HA GLU 672 HA GLU 672 -7.669 -1.387 10.114 223 1HB GLU 672 1HB GLU 672 -5.049 -2.802 9.906 224 2HB GLU 672 2HB GLU 672 -5.684 -2.452 11.508 225 1HG GLU 672 1HG GLU 672 -7.823 -3.576 10.752 226 2HG GLU 672 2HG GLU 672 -6.910 -4.144 9.355 227 H ARG 673 H ARG 673 -4.184 -0.619 10.127 228 HA ARG 673 HA ARG 673 -4.020 0.952 12.323 229 1HB ARG 673 1HB ARG 673 -2.650 1.195 9.659 230 2HB ARG 673 2HB ARG 673 -2.288 2.315 10.965 231 1HG ARG 673 1HG ARG 673 -2.083 -0.669 11.258 232 2HG ARG 673 2HG ARG 673 -0.739 0.351 10.742 233 1HD ARG 673 1HD ARG 673 -2.243 0.545 13.349 234 2HD ARG 673 2HD ARG 673 -0.609 -0.079 13.127 235 HE ARG 673 HE ARG 673 -0.583 2.487 12.122 236 1HH1 ARG 673 2HH1 ARG 673 -1.249 0.968 15.183 237 2HH1 ARG 673 1HH1 ARG 673 -0.724 2.327 16.120 238 1HH2 ARG 673 2HH2 ARG 673 0.111 4.283 13.344 239 2HH2 ARG 673 1HH2 ARG 673 0.049 4.213 15.073 240 H GLY 674 H GLY 674 -5.443 1.830 9.243 241 1HA GLY 674 1HA GLY 674 -7.153 3.459 9.042 242 2HA GLY 674 2HA GLY 674 -6.562 4.223 10.509 243 H VAL 675 H VAL 675 -4.471 3.275 7.865 244 HA VAL 675 HA VAL 675 -3.145 5.707 7.693 245 HB VAL 675 HB VAL 675 -3.497 3.588 5.570 246 1HG1 VAL 675 1HG1 VAL 675 -2.545 5.001 4.142 247 2HG1 VAL 675 2HG1 VAL 675 -2.314 6.209 5.407 248 3HG1 VAL 675 3HG1 VAL 675 -1.098 4.957 5.148 249 1HG2 VAL 675 1HG2 VAL 675 -2.399 2.681 7.472 250 2HG2 VAL 675 2HG2 VAL 675 -1.149 3.016 6.274 251 3HG2 VAL 675 3HG2 VAL 675 -1.374 4.106 7.642 252 H SER 676 H SER 676 -4.228 7.570 7.406 253 HA SER 676 HA SER 676 -6.553 7.929 5.895 254 1HB SER 676 1HB SER 676 -4.426 9.959 6.620 255 2HB SER 676 2HB SER 676 -6.042 10.349 6.031 256 HG SER 676 HG SER 676 -5.341 9.986 8.508 257 H ALA 677 H ALA 677 -6.956 8.441 3.805 258 HA ALA 677 HA ALA 677 -4.936 7.881 1.866 259 1HB ALA 677 1HB ALA 677 -6.758 8.585 0.243 260 2HB ALA 677 2HB ALA 677 -7.118 7.214 1.293 261 3HB ALA 677 3HB ALA 677 -7.788 8.804 1.658 262 H PHE 678 H PHE 678 -5.329 10.529 3.703 263 HA PHE 678 HA PHE 678 -4.344 12.331 1.588 264 1HB PHE 678 1HB PHE 678 -5.937 13.111 4.039 265 2HB PHE 678 2HB PHE 678 -5.359 14.203 2.785 266 HD1 PHE 678 1HD PHE 678 -6.045 13.122 0.307 267 HD2 PHE 678 2HD PHE 678 -8.201 12.816 3.964 268 HE1 PHE 678 1HE PHE 678 -8.130 12.779 -0.954 269 HE2 PHE 678 2HE PHE 678 -10.288 12.471 2.709 270 HZ PHE 678 HZ PHE 678 -10.255 12.451 0.247 271 H SER 679 H SER 679 -2.945 10.511 3.513 272 HA SER 679 HA SER 679 -1.435 12.497 5.067 273 1HB SER 679 1HB SER 679 -2.492 10.380 6.138 274 2HB SER 679 2HB SER 679 -1.147 9.520 5.388 275 HG SER 679 HG SER 679 0.280 10.786 6.564 276 H THR 680 H THR 680 0.923 12.166 5.208 277 HA THR 680 HA THR 680 2.006 11.685 2.554 278 HB THR 680 HB THR 680 3.960 12.812 3.248 279 HG1 THR 680 1HG THR 680 3.043 12.467 5.929 280 1HG2 THR 680 1HG2 THR 680 2.762 14.695 3.138 281 2HG2 THR 680 2HG2 THR 680 2.675 14.643 4.898 282 3HG2 THR 680 3HG2 THR 680 1.379 13.942 3.930 283 H TRP 681 H TRP 681 3.681 10.245 2.088 284 HA TRP 681 HA TRP 681 3.559 7.719 3.179 285 1HB TRP 681 1HB TRP 681 4.576 7.983 1.046 286 2HB TRP 681 2HB TRP 681 5.780 9.103 1.678 287 HD1 TRP 681 HD TRP 681 8.043 8.088 2.377 288 HE1 TRP 681 1HE TRP 681 8.967 5.700 2.641 289 HE3 TRP 681 3HE TRP 681 3.697 5.465 1.772 290 HZ2 TRP 681 2HZ TRP 681 7.983 3.054 2.597 291 HZ3 TRP 681 3HZ TRP 681 3.774 3.009 1.897 292 HH2 TRP 681 HH TRP 681 5.874 1.830 2.300 293 H GLU 682 H GLU 682 5.363 10.481 4.276 294 HA GLU 682 HA GLU 682 7.259 9.175 5.890 295 1HB GLU 682 1HB GLU 682 6.000 11.904 6.205 296 2HB GLU 682 2HB GLU 682 7.407 11.344 7.097 297 1HG GLU 682 1HG GLU 682 8.686 11.168 5.067 298 2HG GLU 682 2HG GLU 682 7.270 11.578 4.101 299 H LYS 683 H LYS 683 4.264 10.817 6.924 300 HA LYS 683 HA LYS 683 4.258 9.934 9.552 301 1HB LYS 683 1HB LYS 683 2.170 10.900 7.662 302 2HB LYS 683 2HB LYS 683 1.628 10.126 9.146 303 1HG LYS 683 1HG LYS 683 1.748 12.547 9.387 304 2HG LYS 683 2HG LYS 683 2.883 11.734 10.467 305 1HD LYS 683 1HD LYS 683 4.726 12.436 9.276 306 2HD LYS 683 2HD LYS 683 3.817 12.618 7.774 307 1HE LYS 683 1HE LYS 683 3.446 14.390 10.182 308 2HE LYS 683 2HE LYS 683 4.542 14.766 8.853 309 1HZ LYS 683 1HZ LYS 683 2.075 15.631 8.893 310 2HZ LYS 683 2HZ LYS 683 1.767 14.123 8.192 311 3HZ LYS 683 3HZ LYS 683 2.833 15.202 7.443 312 H GLU 684 H GLU 684 2.364 8.550 6.859 313 HA GLU 684 HA GLU 684 1.380 6.335 8.208 314 1HB GLU 684 1HB GLU 684 2.145 6.424 5.286 315 2HB GLU 684 2HB GLU 684 0.972 5.350 6.034 316 1HG GLU 684 1HG GLU 684 -0.622 6.971 6.201 317 2HG GLU 684 2HG GLU 684 0.557 8.277 6.293 318 H LEU 685 H LEU 685 4.434 6.735 6.475 319 HA LEU 685 HA LEU 685 5.352 4.131 6.462 320 1HB LEU 685 1HB LEU 685 6.647 5.668 5.297 321 2HB LEU 685 2HB LEU 685 6.730 6.778 6.663 322 HG LEU 685 HG LEU 685 8.153 4.917 7.773 323 1HD1 LEU 685 1HD1 LEU 685 9.415 3.554 6.201 324 2HD1 LEU 685 2HD1 LEU 685 8.460 4.192 4.863 325 3HD1 LEU 685 3HD1 LEU 685 7.691 3.196 6.099 326 1HD2 LEU 685 1HD2 LEU 685 8.761 7.131 6.072 327 2HD2 LEU 685 2HD2 LEU 685 9.967 5.865 5.835 328 3HD2 LEU 685 3HD2 LEU 685 9.667 6.506 7.451 329 H HIS 686 H HIS 686 6.426 6.546 8.856 330 HA HIS 686 HA HIS 686 7.589 4.816 10.651 331 1HB HIS 686 1HB HIS 686 7.565 6.567 12.212 332 2HB HIS 686 2HB HIS 686 7.527 7.392 10.657 333 HD1 HIS 686 1HD HIS 686 5.786 9.134 10.444 334 HD2 HIS 686 2HD HIS 686 4.815 6.324 13.346 335 HE1 HIS 686 1HE HIS 686 3.653 9.958 11.491 336 H LYS 687 H LYS 687 4.202 5.538 10.196 337 HA LYS 687 HA LYS 687 3.258 4.397 12.615 338 1HB LYS 687 1HB LYS 687 1.953 5.018 9.974 339 2HB LYS 687 2HB LYS 687 1.066 4.248 11.283 340 1HG LYS 687 1HG LYS 687 1.622 6.174 12.734 341 2HG LYS 687 2HG LYS 687 2.382 6.955 11.345 342 1HD LYS 687 1HD LYS 687 0.070 6.498 10.205 343 2HD LYS 687 2HD LYS 687 -0.505 6.396 11.871 344 1HE LYS 687 1HE LYS 687 -0.069 8.611 12.299 345 2HE LYS 687 2HE LYS 687 1.196 8.709 11.075 346 1HZ LYS 687 1HZ LYS 687 -1.677 8.401 10.412 347 2HZ LYS 687 2HZ LYS 687 -0.410 8.790 9.361 348 3HZ LYS 687 3HZ LYS 687 -0.911 9.905 10.530 349 H ILE 688 H ILE 688 4.159 3.080 9.527 350 HA ILE 688 HA ILE 688 3.332 0.409 10.460 351 HB ILE 688 HB ILE 688 3.084 -0.292 8.160 352 1HG1 ILE 688 1HG1 ILE 688 3.598 2.542 7.273 353 2HG1 ILE 688 2HG1 ILE 688 4.887 1.345 7.346 354 1HG2 ILE 688 1HG2 ILE 688 1.004 0.398 8.637 355 2HG2 ILE 688 2HG2 ILE 688 1.557 1.947 9.271 356 3HG2 ILE 688 3HG2 ILE 688 1.367 1.723 7.532 357 1HD1 ILE 688 1HD1 ILE 688 4.318 0.944 5.225 358 2HD1 ILE 688 2HD1 ILE 688 2.999 0.009 5.931 359 3HD1 ILE 688 3HD1 ILE 688 2.722 1.671 5.410 360 H VAL 689 H VAL 689 5.912 2.122 10.582 361 HA VAL 689 HA VAL 689 7.803 0.499 9.113 362 HB VAL 689 HB VAL 689 8.018 3.020 9.630 363 1HG1 VAL 689 1HG1 VAL 689 9.023 3.654 11.678 364 2HG1 VAL 689 2HG1 VAL 689 7.637 2.647 12.098 365 3HG1 VAL 689 3HG1 VAL 689 9.267 1.976 12.161 366 1HG2 VAL 689 1HG2 VAL 689 10.406 2.897 9.516 367 2HG2 VAL 689 2HG2 VAL 689 10.407 1.270 10.198 368 3HG2 VAL 689 3HG2 VAL 689 9.746 1.550 8.587 369 H PHE 690 H PHE 690 6.789 0.950 12.464 370 HA PHE 690 HA PHE 690 8.756 -0.739 13.611 371 1HB PHE 690 1HB PHE 690 7.599 -0.478 15.637 372 2HB PHE 690 2HB PHE 690 7.267 1.017 14.768 373 HD1 PHE 690 1HD PHE 690 5.867 -2.010 16.175 374 HD2 PHE 690 2HD PHE 690 5.059 1.383 13.736 375 HE1 PHE 690 1HE PHE 690 3.452 -2.403 16.435 376 HE2 PHE 690 2HE PHE 690 2.643 0.997 13.992 377 HZ PHE 690 HZ PHE 690 1.836 -0.898 15.344 378 H ASP 691 H ASP 691 5.840 -1.350 11.914 379 HA ASP 691 HA ASP 691 5.264 -3.915 13.020 380 1HB ASP 691 1HB ASP 691 3.695 -2.350 11.698 381 2HB ASP 691 2HB ASP 691 4.455 -3.029 10.261 382 HA PRO 692 HA PRO 692 8.330 -6.328 10.972 383 1HB PRO 692 1HB PRO 692 7.140 -8.758 11.190 384 2HB PRO 692 2HB PRO 692 7.899 -7.934 12.557 385 1HG PRO 692 1HG PRO 692 5.005 -8.085 11.807 386 2HG PRO 692 2HG PRO 692 5.756 -8.237 13.406 387 1HD PRO 692 1HD PRO 692 4.572 -5.952 12.564 388 2HD PRO 692 2HD PRO 692 5.966 -5.956 13.663 389 H ARG 693 H ARG 693 4.930 -6.788 10.061 390 HA ARG 693 HA ARG 693 5.266 -8.184 7.695 391 1HB ARG 693 1HB ARG 693 3.202 -6.054 8.286 392 2HB ARG 693 2HB ARG 693 3.090 -7.267 7.017 393 1HG ARG 693 1HG ARG 693 2.904 -9.028 8.608 394 2HG ARG 693 2HG ARG 693 3.287 -7.937 9.941 395 1HD ARG 693 1HD ARG 693 0.947 -7.310 8.212 396 2HD ARG 693 2HD ARG 693 0.799 -8.616 9.386 397 HE ARG 693 HE ARG 693 1.868 -6.359 10.665 398 1HH1 ARG 693 2HH1 ARG 693 -1.102 -7.462 9.221 399 2HH1 ARG 693 1HH1 ARG 693 -2.110 -6.476 10.227 400 1HH2 ARG 693 2HH2 ARG 693 0.551 -5.055 11.995 401 2HH2 ARG 693 1HH2 ARG 693 -1.169 -5.106 11.804 402 H TYR 694 H TYR 694 5.867 -4.837 8.394 403 HA TYR 694 HA TYR 694 5.821 -3.803 5.779 404 1HB TYR 694 1HB TYR 694 5.824 -2.279 7.624 405 2HB TYR 694 2HB TYR 694 7.328 -2.943 8.251 406 HD1 TYR 694 1HD TYR 694 9.455 -2.570 6.949 407 HD2 TYR 694 2HD TYR 694 5.834 -0.530 6.040 408 HE1 TYR 694 1HE TYR 694 10.729 -0.880 5.697 409 HE2 TYR 694 2HE TYR 694 7.098 1.166 4.784 410 HH TYR 694 HH TYR 694 9.653 2.034 4.925 411 H LEU 695 H LEU 695 8.103 -5.790 7.430 412 HA LEU 695 HA LEU 695 10.154 -5.289 5.395 413 1HB LEU 695 1HB LEU 695 10.333 -6.922 7.922 414 2HB LEU 695 2HB LEU 695 11.666 -6.508 6.846 415 HG LEU 695 HG LEU 695 10.087 -4.391 8.275 416 1HD1 LEU 695 1HD1 LEU 695 11.326 -6.315 9.684 417 2HD1 LEU 695 2HD1 LEU 695 11.223 -4.634 10.206 418 3HD1 LEU 695 3HD1 LEU 695 12.680 -5.220 9.403 419 1HD2 LEU 695 1HD2 LEU 695 12.955 -4.091 7.736 420 2HD2 LEU 695 2HD2 LEU 695 11.625 -2.959 7.487 421 3HD2 LEU 695 3HD2 LEU 695 11.942 -4.222 6.298 422 H LEU 696 H LEU 696 7.569 -6.931 5.208 423 HA LEU 696 HA LEU 696 8.712 -9.543 4.534 424 1HB LEU 696 1HB LEU 696 5.885 -8.583 4.890 425 2HB LEU 696 2HB LEU 696 6.277 -10.168 4.226 426 HG LEU 696 HG LEU 696 7.007 -9.197 6.990 427 1HD1 LEU 696 1HD1 LEU 696 4.530 -9.774 6.287 428 2HD1 LEU 696 2HD1 LEU 696 5.198 -10.303 7.831 429 3HD1 LEU 696 3HD1 LEU 696 5.112 -11.428 6.476 430 1HD2 LEU 696 1HD2 LEU 696 8.633 -10.775 6.157 431 2HD2 LEU 696 2HD2 LEU 696 7.353 -11.874 5.642 432 3HD2 LEU 696 3HD2 LEU 696 7.612 -11.564 7.359 433 H LEU 697 H LEU 697 6.859 -6.878 3.132 434 HA LEU 697 HA LEU 697 6.964 -8.094 0.492 435 1HB LEU 697 1HB LEU 697 5.652 -5.665 1.646 436 2HB LEU 697 2HB LEU 697 5.821 -5.843 -0.100 437 HG LEU 697 HG LEU 697 4.440 -7.885 1.630 438 1HD1 LEU 697 1HD1 LEU 697 2.850 -6.046 -0.044 439 2HD1 LEU 697 2HD1 LEU 697 3.520 -5.377 1.443 440 3HD1 LEU 697 3HD1 LEU 697 2.469 -6.791 1.508 441 1HD2 LEU 697 1HD2 LEU 697 3.332 -8.227 -0.708 442 2HD2 LEU 697 2HD2 LEU 697 4.917 -8.924 -0.369 443 3HD2 LEU 697 3HD2 LEU 697 4.791 -7.430 -1.300 444 H ASN 698 H ASN 698 8.041 -7.221 -1.279 445 HA ASN 698 HA ASN 698 10.586 -6.275 -0.956 446 1HB ASN 698 1HB ASN 698 8.649 -6.241 -3.214 447 2HB ASN 698 2HB ASN 698 10.085 -5.234 -3.370 448 1HD2 ASN 698 1HD2 ASN 698 10.440 -6.739 -5.188 449 2HD2 ASN 698 2HD2 ASN 698 11.282 -8.214 -4.867 450 HA PRO 699 HA PRO 699 10.505 -1.994 -0.002 451 1HB PRO 699 1HB PRO 699 12.510 -1.002 -1.540 452 2HB PRO 699 2HB PRO 699 12.799 -2.015 -0.121 453 1HG PRO 699 1HG PRO 699 12.773 -2.774 -3.017 454 2HG PRO 699 2HG PRO 699 13.905 -3.262 -1.743 455 1HD PRO 699 1HD PRO 699 11.887 -4.857 -2.589 456 2HD PRO 699 2HD PRO 699 12.475 -4.868 -0.914 457 H LYS 700 H LYS 700 10.600 -2.710 -3.471 458 HA LYS 700 HA LYS 700 9.646 -0.148 -4.283 459 1HB LYS 700 1HB LYS 700 10.150 -2.767 -5.602 460 2HB LYS 700 2HB LYS 700 9.065 -1.647 -6.415 461 1HG LYS 700 1HG LYS 700 11.099 -1.112 -7.344 462 2HG LYS 700 2HG LYS 700 10.970 0.072 -6.041 463 1HD LYS 700 1HD LYS 700 12.271 -1.574 -4.613 464 2HD LYS 700 2HD LYS 700 12.601 -2.457 -6.106 465 1HE LYS 700 1HE LYS 700 13.158 0.470 -5.997 466 2HE LYS 700 2HE LYS 700 14.275 -0.642 -5.208 467 1HZ LYS 700 1HZ LYS 700 15.019 -1.417 -7.164 468 2HZ LYS 700 2HZ LYS 700 14.430 0.045 -7.778 469 3HZ LYS 700 3HZ LYS 700 13.500 -1.361 -7.907 470 H GLU 701 H GLU 701 8.133 -3.255 -3.599 471 HA GLU 701 HA GLU 701 5.568 -2.664 -4.583 472 1HB GLU 701 1HB GLU 701 6.686 -4.633 -2.641 473 2HB GLU 701 2HB GLU 701 4.944 -4.403 -2.679 474 1HG GLU 701 1HG GLU 701 5.280 -4.725 -5.261 475 2HG GLU 701 2HG GLU 701 6.754 -5.541 -4.743 476 H ARG 702 H ARG 702 6.794 -2.534 -1.236 477 HA ARG 702 HA ARG 702 4.718 -1.685 0.200 478 1HB ARG 702 1HB ARG 702 7.513 -0.551 0.211 479 2HB ARG 702 2HB ARG 702 6.310 -0.113 1.416 480 1HG ARG 702 1HG ARG 702 6.129 -2.457 2.087 481 2HG ARG 702 2HG ARG 702 7.344 -2.890 0.883 482 1HD ARG 702 1HD ARG 702 7.736 -1.068 3.255 483 2HD ARG 702 2HD ARG 702 8.353 -2.711 3.085 484 HE ARG 702 HE ARG 702 9.198 -0.854 1.034 485 1HH1 ARG 702 2HH1 ARG 702 9.908 -2.323 4.109 486 2HH1 ARG 702 1HH1 ARG 702 11.609 -2.010 4.013 487 1HH2 ARG 702 2HH2 ARG 702 11.436 -0.437 0.896 488 2HH2 ARG 702 1HH2 ARG 702 12.477 -0.936 2.185 489 H LYS 703 H LYS 703 6.601 0.458 -1.920 490 HA LYS 703 HA LYS 703 4.991 2.752 -1.415 491 1HB LYS 703 1HB LYS 703 7.318 2.915 -2.197 492 2HB LYS 703 2HB LYS 703 6.859 2.167 -3.721 493 1HG LYS 703 1HG LYS 703 6.927 4.421 -4.235 494 2HG LYS 703 2HG LYS 703 5.211 4.133 -3.940 495 1HD LYS 703 1HD LYS 703 5.538 6.041 -2.706 496 2HD LYS 703 2HD LYS 703 5.849 4.808 -1.482 497 1HE LYS 703 1HE LYS 703 8.286 4.988 -2.076 498 2HE LYS 703 2HE LYS 703 7.869 6.386 -3.065 499 1HZ LYS 703 1HZ LYS 703 6.710 6.796 -0.583 500 2HZ LYS 703 2HZ LYS 703 8.033 7.615 -1.247 501 3HZ LYS 703 3HZ LYS 703 8.283 6.253 -0.276 502 H GLN 704 H GLN 704 5.153 0.422 -4.093 503 HA GLN 704 HA GLN 704 3.207 1.570 -5.727 504 1HB GLN 704 1HB GLN 704 4.191 -1.246 -5.379 505 2HB GLN 704 2HB GLN 704 2.878 -0.887 -6.492 506 1HG GLN 704 1HG GLN 704 5.517 0.533 -6.620 507 2HG GLN 704 2HG GLN 704 5.221 -0.992 -7.453 508 1HE2 GLN 704 1HE2 GLN 704 4.234 2.362 -7.199 509 2HE2 GLN 704 2HE2 GLN 704 3.547 2.477 -8.780 510 H VAL 705 H VAL 705 2.780 -1.186 -3.498 511 HA VAL 705 HA VAL 705 0.034 -1.427 -3.689 512 HB VAL 705 HB VAL 705 1.736 -1.891 -1.235 513 1HG1 VAL 705 1HG1 VAL 705 -0.784 -3.377 -1.770 514 2HG1 VAL 705 2HG1 VAL 705 -0.010 -2.976 -0.235 515 3HG1 VAL 705 3HG1 VAL 705 -0.897 -1.739 -1.127 516 1HG2 VAL 705 1HG2 VAL 705 1.231 -3.441 -3.709 517 2HG2 VAL 705 2HG2 VAL 705 2.669 -3.368 -2.690 518 3HG2 VAL 705 3HG2 VAL 705 1.283 -4.338 -2.191 519 H PHE 706 H PHE 706 1.879 0.496 -1.327 520 HA PHE 706 HA PHE 706 -0.178 1.538 0.162 521 1HB PHE 706 1HB PHE 706 1.963 2.083 0.919 522 2HB PHE 706 2HB PHE 706 2.481 2.658 -0.662 523 HD1 PHE 706 1HD PHE 706 2.541 4.925 -1.084 524 HD2 PHE 706 2HD PHE 706 0.097 3.464 2.080 525 HE1 PHE 706 1HE PHE 706 2.040 7.237 -0.407 526 HE2 PHE 706 2HE PHE 706 -0.408 5.773 2.761 527 HZ PHE 706 HZ PHE 706 0.563 7.664 1.517 528 H ASP 707 H ASP 707 1.098 2.784 -2.905 529 HA ASP 707 HA ASP 707 -0.492 5.067 -3.102 530 1HB ASP 707 1HB ASP 707 1.457 4.506 -4.570 531 2HB ASP 707 2HB ASP 707 0.436 3.338 -5.402 532 H GLN 708 H GLN 708 -1.062 1.854 -4.543 533 HA GLN 708 HA GLN 708 -3.528 2.348 -5.686 534 1HB GLN 708 1HB GLN 708 -2.490 -0.193 -4.424 535 2HB GLN 708 2HB GLN 708 -3.937 -0.107 -5.419 536 1HG GLN 708 1HG GLN 708 -1.145 0.577 -6.312 537 2HG GLN 708 2HG GLN 708 -2.019 -0.908 -6.684 538 1HE2 GLN 708 1HE2 GLN 708 -1.899 2.549 -7.205 539 2HE2 GLN 708 2HE2 GLN 708 -2.844 2.559 -8.651 540 H TYR 709 H TYR 709 -2.827 1.215 -2.393 541 HA TYR 709 HA TYR 709 -5.405 0.843 -1.476 542 1HB TYR 709 1HB TYR 709 -3.661 0.160 -0.046 543 2HB TYR 709 2HB TYR 709 -2.891 1.742 -0.085 544 HD1 TYR 709 1HD TYR 709 -5.419 -0.328 1.501 545 HD2 TYR 709 2HD TYR 709 -3.851 3.617 1.212 546 HE1 TYR 709 1HE TYR 709 -6.582 0.280 3.581 547 HE2 TYR 709 2HE TYR 709 -5.009 4.236 3.292 548 HH TYR 709 HH TYR 709 -5.876 2.718 5.438 549 H VAL 710 H VAL 710 -3.468 3.828 -1.333 550 HA VAL 710 HA VAL 710 -5.381 5.458 -0.124 551 HB VAL 710 HB VAL 710 -3.134 6.121 -2.018 552 1HG1 VAL 710 1HG1 VAL 710 -5.298 7.834 -0.998 553 2HG1 VAL 710 2HG1 VAL 710 -3.666 8.477 -0.801 554 3HG1 VAL 710 3HG1 VAL 710 -4.254 8.037 -2.405 555 1HG2 VAL 710 1HG2 VAL 710 -3.218 5.457 0.696 556 2HG2 VAL 710 2HG2 VAL 710 -1.853 6.124 -0.199 557 3HG2 VAL 710 3HG2 VAL 710 -2.965 7.202 0.645 558 H LYS 711 H LYS 711 -4.682 5.012 -3.586 559 HA LYS 711 HA LYS 711 -6.448 6.739 -4.730 560 1HB LYS 711 1HB LYS 711 -5.468 4.031 -5.513 561 2HB LYS 711 2HB LYS 711 -6.765 4.752 -6.457 562 1HG LYS 711 1HG LYS 711 -5.429 6.498 -7.198 563 2HG LYS 711 2HG LYS 711 -4.259 6.285 -5.894 564 1HD LYS 711 1HD LYS 711 -3.170 5.421 -7.770 565 2HD LYS 711 2HD LYS 711 -3.801 3.989 -6.953 566 1HE LYS 711 1HE LYS 711 -4.229 3.789 -9.308 567 2HE LYS 711 2HE LYS 711 -5.760 4.049 -8.474 568 1HZ LYS 711 1HZ LYS 711 -6.111 5.889 -9.636 569 2HZ LYS 711 2HZ LYS 711 -4.774 5.493 -10.593 570 3HZ LYS 711 3HZ LYS 711 -4.585 6.516 -9.259 571 H THR 712 H THR 712 -7.231 3.366 -3.867 572 HA THR 712 HA THR 712 -9.964 3.517 -4.459 573 HB THR 712 HB THR 712 -10.205 1.545 -2.932 574 HG1 THR 712 1HG THR 712 -7.386 1.787 -2.615 575 1HG2 THR 712 1HG2 THR 712 -9.351 0.127 -4.497 576 2HG2 THR 712 2HG2 THR 712 -7.798 0.959 -4.562 577 3HG2 THR 712 3HG2 THR 712 -9.194 1.630 -5.404 578 H ARG 713 H ARG 713 -8.258 3.961 -1.372 579 HA ARG 713 HA ARG 713 -10.451 4.353 0.279 580 1HB ARG 713 1HB ARG 713 -7.628 5.371 0.357 581 2HB ARG 713 2HB ARG 713 -8.793 5.886 1.570 582 1HG ARG 713 1HG ARG 713 -8.461 2.976 1.036 583 2HG ARG 713 2HG ARG 713 -7.239 3.825 1.985 584 1HD ARG 713 1HD ARG 713 -10.184 3.941 2.596 585 2HD ARG 713 2HD ARG 713 -9.098 2.745 3.302 586 HE ARG 713 HE ARG 713 -7.943 5.198 3.793 587 1HH1 ARG 713 2HH1 ARG 713 -10.947 3.612 4.555 588 2HH1 ARG 713 1HH1 ARG 713 -11.167 4.460 6.049 589 1HH2 ARG 713 2HH2 ARG 713 -8.221 6.321 5.759 590 2HH2 ARG 713 1HH2 ARG 713 -9.616 6.002 6.733 591 H ALA 714 H ALA 714 -9.180 6.385 -2.184 592 HA ALA 714 HA ALA 714 -10.442 8.796 -1.186 593 1HB ALA 714 1HB ALA 714 -8.280 8.366 -2.787 594 2HB ALA 714 2HB ALA 714 -9.519 8.798 -3.965 595 3HB ALA 714 3HB ALA 714 -9.140 9.898 -2.640 596 H GLU 715 H GLU 715 -10.792 6.739 -4.082 597 HA GLU 715 HA GLU 715 -13.006 7.957 -5.195 598 1HB GLU 715 1HB GLU 715 -13.169 6.127 -6.573 599 2HB GLU 715 2HB GLU 715 -11.529 5.918 -5.974 600 1HG GLU 715 1HG GLU 715 -12.317 4.311 -4.329 601 2HG GLU 715 2HG GLU 715 -13.974 4.540 -4.885 602 H GLU 716 H GLU 716 -12.841 5.639 -2.558 603 HA GLU 716 HA GLU 716 -15.721 5.395 -2.392 604 1HB GLU 716 1HB GLU 716 -13.384 4.150 -1.049 605 2HB GLU 716 2HB GLU 716 -14.879 4.226 -0.127 606 1HG GLU 716 1HG GLU 716 -14.876 3.151 -2.913 607 2HG GLU 716 2HG GLU 716 -14.373 2.140 -1.559 608 H GLU 717 H GLU 717 -14.267 8.005 -1.969 609 HA GLU 717 HA GLU 717 -14.408 8.719 0.755 610 1HB GLU 717 1HB GLU 717 -13.131 10.048 -0.817 611 2HB GLU 717 2HB GLU 717 -14.584 10.422 -1.734 612 1HG GLU 717 1HG GLU 717 -15.407 11.435 0.519 613 2HG GLU 717 2HG GLU 717 -13.688 11.471 0.908 614 H ARG 718 H ARG 718 -16.248 8.400 1.859 615 HA ARG 718 HA ARG 718 -18.846 8.660 0.756 616 1HB ARG 718 1HB ARG 718 -17.713 8.241 3.479 617 2HB ARG 718 2HB ARG 718 -19.379 8.791 3.362 618 1HG ARG 718 1HG ARG 718 -18.469 6.433 1.772 619 2HG ARG 718 2HG ARG 718 -18.866 6.257 3.483 620 1HD ARG 718 1HD ARG 718 -21.092 7.119 3.091 621 2HD ARG 718 2HD ARG 718 -20.702 7.435 1.401 622 HE ARG 718 HE ARG 718 -20.259 4.726 1.884 623 1HH1 ARG 718 2HH1 ARG 718 -22.910 6.982 1.811 624 2HH1 ARG 718 1HH1 ARG 718 -24.080 5.792 1.346 625 1HH2 ARG 718 2HH2 ARG 718 -21.791 3.150 1.273 626 2HH2 ARG 718 1HH2 ARG 718 -23.443 3.613 1.041 627 H ARG 719 H ARG 719 -20.489 10.198 1.373 628 HA ARG 719 HA ARG 719 -19.439 12.902 1.424 629 1HB ARG 719 1HB ARG 719 -21.315 12.110 -0.100 630 2HB ARG 719 2HB ARG 719 -22.338 12.078 1.329 631 1HG ARG 719 1HG ARG 719 -20.848 14.576 0.738 632 2HG ARG 719 2HG ARG 719 -22.240 14.172 -0.268 633 1HD ARG 719 1HD ARG 719 -23.702 14.168 1.588 634 2HD ARG 719 2HD ARG 719 -22.363 14.173 2.735 635 HE ARG 719 HE ARG 719 -22.026 16.485 1.363 636 1HH1 ARG 719 2HH1 ARG 719 -24.711 15.065 3.064 637 2HH1 ARG 719 1HH1 ARG 719 -25.399 16.589 3.516 638 1HH2 ARG 719 2HH2 ARG 719 -22.922 18.498 1.953 639 2HH2 ARG 719 1HH2 ARG 719 -24.381 18.541 2.883 640 H SER 720 H SER 720 -21.947 11.135 3.249 641 HA SER 720 HA SER 720 -21.579 13.022 5.464 642 1HB SER 720 1HB SER 720 -23.882 12.711 4.650 643 2HB SER 720 2HB SER 720 -23.771 10.985 4.995 644 HG SER 720 HG SER 720 -24.384 13.002 6.657 645 H GLY 721 H GLY 721 -19.527 11.179 5.092 646 1HA GLY 721 1HA GLY 721 -19.988 9.101 7.115 647 2HA GLY 721 2HA GLY 721 -18.645 9.152 5.983 648 HA PRO 722 HA PRO 722 -17.369 10.741 10.228 649 1HB PRO 722 1HB PRO 722 -15.510 8.827 10.727 650 2HB PRO 722 2HB PRO 722 -17.209 8.658 11.185 651 1HG PRO 722 1HG PRO 722 -15.766 7.536 8.814 652 2HG PRO 722 2HG PRO 722 -16.951 6.753 9.876 653 1HD PRO 722 1HD PRO 722 -17.606 7.743 7.443 654 2HD PRO 722 2HD PRO 722 -18.743 7.731 8.806 655 H SER 723 H SER 723 -16.444 12.495 9.096 656 HA SER 723 HA SER 723 -13.582 12.207 8.646 657 1HB SER 723 1HB SER 723 -15.499 13.224 6.541 658 2HB SER 723 2HB SER 723 -13.758 13.499 6.486 659 HG SER 723 HG SER 723 -15.205 11.214 5.965 660 H SER 724 H SER 724 -12.431 14.195 8.728 661 HA SER 724 HA SER 724 -13.458 16.044 10.593 662 1HB SER 724 1HB SER 724 -11.397 17.314 10.184 663 2HB SER 724 2HB SER 724 -11.049 15.592 10.343 664 HG SER 724 HG SER 724 -11.321 15.704 7.888 665 H GLY 725 H GLY 725 -15.050 17.430 10.184 666 1HA GLY 725 1HA GLY 725 -14.988 18.881 7.609 667 2HA GLY 725 2HA GLY 725 -16.487 18.345 8.353 Start of MODEL 3 1 1H GLY 644 H GLY 644 -10.610 -26.914 18.781 2 1HA GLY 644 1HA GLY 644 -12.095 -29.054 17.431 3 2HA GLY 644 2HA GLY 644 -12.367 -27.329 17.233 4 H SER 645 H SER 645 -12.162 -27.124 15.065 5 HA SER 645 HA SER 645 -10.000 -28.396 13.636 6 1HB SER 645 1HB SER 645 -10.962 -27.286 11.653 7 2HB SER 645 2HB SER 645 -12.194 -28.154 12.568 8 HG SER 645 HG SER 645 -12.401 -25.737 11.826 9 H SER 646 H SER 646 -8.012 -27.603 13.749 10 HA SER 646 HA SER 646 -7.298 -25.066 14.655 11 1HB SER 646 1HB SER 646 -5.677 -26.849 14.666 12 2HB SER 646 2HB SER 646 -5.778 -27.019 12.914 13 HG SER 646 HG SER 646 -4.148 -25.473 14.290 14 H GLY 647 H GLY 647 -7.530 -26.282 11.317 15 1HA GLY 647 1HA GLY 647 -8.505 -24.856 9.614 16 2HA GLY 647 2HA GLY 647 -7.786 -23.478 10.434 17 H SER 648 H SER 648 -5.349 -23.502 10.532 18 HA SER 648 HA SER 648 -4.294 -24.512 7.972 19 1HB SER 648 1HB SER 648 -2.816 -22.598 7.901 20 2HB SER 648 2HB SER 648 -4.463 -22.022 8.160 21 HG SER 648 HG SER 648 -3.986 -21.538 10.225 22 H SER 649 H SER 649 -3.085 -26.252 8.333 23 HA SER 649 HA SER 649 -1.169 -26.172 10.571 24 1HB SER 649 1HB SER 649 -2.980 -27.788 11.019 25 2HB SER 649 2HB SER 649 -2.611 -28.612 9.504 26 HG SER 649 HG SER 649 -1.585 -29.176 11.783 27 H GLY 650 H GLY 650 0.759 -25.806 9.671 28 1HA GLY 650 1HA GLY 650 1.702 -27.680 7.639 29 2HA GLY 650 2HA GLY 650 1.722 -25.975 7.211 30 H ALA 651 H ALA 651 3.313 -28.501 8.878 31 HA ALA 651 HA ALA 651 5.211 -26.615 10.094 32 1HB ALA 651 1HB ALA 651 4.111 -29.136 10.937 33 2HB ALA 651 2HB ALA 651 5.874 -29.207 10.903 34 3HB ALA 651 3HB ALA 651 5.059 -27.963 11.852 35 H ARG 652 H ARG 652 6.164 -26.173 7.997 36 HA ARG 652 HA ARG 652 7.838 -28.370 6.978 37 1HB ARG 652 1HB ARG 652 6.718 -25.907 5.663 38 2HB ARG 652 2HB ARG 652 8.070 -26.785 4.962 39 1HG ARG 652 1HG ARG 652 6.365 -27.794 3.858 40 2HG ARG 652 2HG ARG 652 6.432 -28.837 5.281 41 1HD ARG 652 1HD ARG 652 4.570 -27.789 6.265 42 2HD ARG 652 2HD ARG 652 4.660 -26.415 5.164 43 HE ARG 652 HE ARG 652 3.451 -27.610 3.631 44 1HH1 ARG 652 2HH1 ARG 652 4.662 -29.777 6.071 45 2HH1 ARG 652 1HH1 ARG 652 3.752 -31.137 5.501 46 1HH2 ARG 652 2HH2 ARG 652 2.247 -29.392 2.871 47 2HH2 ARG 652 1HH2 ARG 652 2.379 -30.916 3.680 48 H GLU 653 H GLU 653 9.917 -27.443 5.887 49 HA GLU 653 HA GLU 653 11.351 -26.043 7.981 50 1HB GLU 653 1HB GLU 653 12.208 -27.404 5.433 51 2HB GLU 653 2HB GLU 653 13.330 -26.484 6.426 52 1HG GLU 653 1HG GLU 653 13.269 -28.006 8.149 53 2HG GLU 653 2HG GLU 653 11.694 -28.639 7.675 54 H ARG 654 H ARG 654 11.077 -25.654 4.443 55 HA ARG 654 HA ARG 654 11.286 -22.745 4.844 56 1HB ARG 654 1HB ARG 654 12.453 -22.779 2.540 57 2HB ARG 654 2HB ARG 654 13.386 -23.241 3.957 58 1HG ARG 654 1HG ARG 654 12.862 -25.632 3.395 59 2HG ARG 654 2HG ARG 654 12.196 -25.045 1.870 60 1HD ARG 654 1HD ARG 654 14.535 -23.815 1.745 61 2HD ARG 654 2HD ARG 654 15.015 -25.134 2.812 62 HE ARG 654 HE ARG 654 13.780 -26.445 0.827 63 1HH1 ARG 654 2HH1 ARG 654 16.213 -23.956 0.805 64 2HH1 ARG 654 1HH1 ARG 654 16.941 -24.498 -0.671 65 1HH2 ARG 654 2HH2 ARG 654 14.729 -27.169 -1.116 66 2HH2 ARG 654 1HH2 ARG 654 16.095 -26.326 -1.763 67 H ALA 655 H ALA 655 9.571 -21.702 4.100 68 HA ALA 655 HA ALA 655 8.163 -22.764 1.749 69 1HB ALA 655 1HB ALA 655 6.847 -23.476 3.622 70 2HB ALA 655 2HB ALA 655 6.880 -21.857 4.320 71 3HB ALA 655 3HB ALA 655 6.003 -22.152 2.819 72 H ILE 656 H ILE 656 8.169 -21.278 0.207 73 HA ILE 656 HA ILE 656 8.711 -18.511 0.794 74 HB ILE 656 HB ILE 656 8.077 -19.859 -1.834 75 1HG1 ILE 656 1HG1 ILE 656 10.751 -18.877 -0.839 76 2HG1 ILE 656 2HG1 ILE 656 10.198 -20.529 -0.587 77 1HG2 ILE 656 1HG2 ILE 656 8.679 -17.045 -1.097 78 2HG2 ILE 656 2HG2 ILE 656 9.356 -17.675 -2.597 79 3HG2 ILE 656 3HG2 ILE 656 7.611 -17.684 -2.346 80 1HD1 ILE 656 1HD1 ILE 656 10.121 -20.920 -2.948 81 2HD1 ILE 656 2HD1 ILE 656 10.486 -19.227 -3.282 82 3HD1 ILE 656 3HD1 ILE 656 11.701 -20.259 -2.528 83 H VAL 657 H VAL 657 6.995 -17.596 1.845 84 HA VAL 657 HA VAL 657 4.307 -17.975 1.481 85 HB VAL 657 HB VAL 657 5.115 -16.583 3.274 86 1HG1 VAL 657 1HG1 VAL 657 6.550 -14.889 3.036 87 2HG1 VAL 657 2HG1 VAL 657 6.749 -15.443 1.373 88 3HG1 VAL 657 3HG1 VAL 657 5.600 -14.156 1.743 89 1HG2 VAL 657 1HG2 VAL 657 2.956 -15.946 3.073 90 2HG2 VAL 657 2HG2 VAL 657 3.681 -14.411 2.595 91 3HG2 VAL 657 3HG2 VAL 657 3.121 -15.542 1.364 92 HA PRO 658 HA PRO 658 3.463 -16.570 -2.624 93 1HB PRO 658 1HB PRO 658 0.761 -16.416 -2.401 94 2HB PRO 658 2HB PRO 658 1.628 -17.950 -2.544 95 1HG PRO 658 1HG PRO 658 0.556 -16.601 -0.096 96 2HG PRO 658 2HG PRO 658 0.486 -18.313 -0.551 97 1HD PRO 658 1HD PRO 658 2.289 -17.350 1.225 98 2HD PRO 658 2HD PRO 658 2.644 -18.717 0.149 99 H LEU 659 H LEU 659 2.709 -14.715 -3.739 100 HA LEU 659 HA LEU 659 3.160 -12.268 -2.471 101 1HB LEU 659 1HB LEU 659 3.286 -12.760 -4.930 102 2HB LEU 659 2HB LEU 659 1.526 -12.681 -4.966 103 HG LEU 659 HG LEU 659 1.772 -10.307 -4.077 104 1HD1 LEU 659 1HD1 LEU 659 4.623 -10.927 -4.783 105 2HD1 LEU 659 2HD1 LEU 659 3.982 -10.234 -3.294 106 3HD1 LEU 659 3HD1 LEU 659 3.991 -9.280 -4.777 107 1HD2 LEU 659 1HD2 LEU 659 1.972 -9.411 -6.257 108 2HD2 LEU 659 2HD2 LEU 659 1.243 -11.006 -6.444 109 3HD2 LEU 659 3HD2 LEU 659 2.954 -10.770 -6.805 110 H GLU 660 H GLU 660 0.082 -13.755 -3.469 111 HA GLU 660 HA GLU 660 -1.663 -11.787 -2.646 112 1HB GLU 660 1HB GLU 660 -2.437 -13.718 -3.875 113 2HB GLU 660 2HB GLU 660 -2.003 -14.787 -2.549 114 1HG GLU 660 1HG GLU 660 -4.301 -14.571 -2.352 115 2HG GLU 660 2HG GLU 660 -3.674 -13.432 -1.162 116 H ALA 661 H ALA 661 0.014 -14.190 -0.719 117 HA ALA 661 HA ALA 661 -1.452 -13.755 1.681 118 1HB ALA 661 1HB ALA 661 0.569 -14.885 2.736 119 2HB ALA 661 2HB ALA 661 -0.324 -15.810 1.528 120 3HB ALA 661 3HB ALA 661 1.201 -15.037 1.096 121 H ARG 662 H ARG 662 1.993 -13.034 1.116 122 HA ARG 662 HA ARG 662 2.389 -11.309 3.205 123 1HB ARG 662 1HB ARG 662 4.170 -10.246 1.724 124 2HB ARG 662 2HB ARG 662 4.288 -11.982 1.980 125 1HG ARG 662 1HG ARG 662 2.887 -12.065 -0.247 126 2HG ARG 662 2HG ARG 662 3.597 -10.466 -0.478 127 1HD ARG 662 1HD ARG 662 5.237 -12.892 0.209 128 2HD ARG 662 2HD ARG 662 4.874 -12.429 -1.453 129 HE ARG 662 HE ARG 662 5.926 -10.187 -0.215 130 1HH1 ARG 662 2HH1 ARG 662 6.959 -13.418 -1.000 131 2HH1 ARG 662 1HH1 ARG 662 8.629 -12.985 -1.163 132 1HH2 ARG 662 2HH2 ARG 662 8.121 -9.605 -0.425 133 2HH2 ARG 662 1HH2 ARG 662 9.289 -10.816 -0.835 134 H MET 663 H MET 663 1.368 -10.427 -0.089 135 HA MET 663 HA MET 663 1.186 -7.678 0.272 136 1HB MET 663 1HB MET 663 -0.231 -9.607 -1.538 137 2HB MET 663 2HB MET 663 -0.675 -7.905 -1.536 138 1HG MET 663 1HG MET 663 1.825 -7.462 -1.903 139 2HG MET 663 2HG MET 663 1.917 -9.169 -2.330 140 1HE MET 663 1HE MET 663 1.233 -5.815 -4.940 141 2HE MET 663 2HE MET 663 2.142 -6.086 -3.453 142 3HE MET 663 3HE MET 663 2.622 -6.903 -4.941 143 H LYS 664 H LYS 664 -1.271 -10.182 0.812 144 HA LYS 664 HA LYS 664 -3.412 -8.543 1.485 145 1HB LYS 664 1HB LYS 664 -2.637 -11.341 2.217 146 2HB LYS 664 2HB LYS 664 -4.025 -10.598 3.000 147 1HG LYS 664 1HG LYS 664 -3.825 -10.550 0.027 148 2HG LYS 664 2HG LYS 664 -4.332 -12.029 0.846 149 1HD LYS 664 1HD LYS 664 -5.625 -9.430 1.554 150 2HD LYS 664 2HD LYS 664 -6.110 -10.271 0.080 151 1HE LYS 664 1HE LYS 664 -7.030 -12.028 1.224 152 2HE LYS 664 2HE LYS 664 -5.954 -11.832 2.607 153 1HZ LYS 664 1HZ LYS 664 -8.555 -11.009 2.449 154 2HZ LYS 664 2HZ LYS 664 -7.672 -9.579 2.260 155 3HZ LYS 664 3HZ LYS 664 -7.432 -10.547 3.627 156 H GLN 665 H GLN 665 -0.804 -9.799 3.522 157 HA GLN 665 HA GLN 665 -1.762 -8.909 5.992 158 1HB GLN 665 1HB GLN 665 1.135 -9.087 5.155 159 2HB GLN 665 2HB GLN 665 0.506 -9.151 6.796 160 1HG GLN 665 1HG GLN 665 -0.706 -11.241 6.158 161 2HG GLN 665 2HG GLN 665 0.164 -11.201 4.625 162 1HE2 GLN 665 1HE2 GLN 665 0.388 -11.740 8.040 163 2HE2 GLN 665 2HE2 GLN 665 1.974 -12.426 8.038 164 H PHE 666 H PHE 666 0.632 -7.342 3.861 165 HA PHE 666 HA PHE 666 1.016 -5.014 5.273 166 1HB PHE 666 1HB PHE 666 2.146 -5.806 3.106 167 2HB PHE 666 2HB PHE 666 0.808 -5.026 2.268 168 HD1 PHE 666 1HD PHE 666 3.725 -4.468 4.438 169 HD2 PHE 666 2HD PHE 666 0.688 -2.661 2.066 170 HE1 PHE 666 1HE PHE 666 4.911 -2.316 4.565 171 HE2 PHE 666 2HE PHE 666 1.869 -0.507 2.188 172 HZ PHE 666 HZ PHE 666 3.984 -0.332 3.438 173 H LYS 667 H LYS 667 -1.449 -5.624 2.783 174 HA LYS 667 HA LYS 667 -2.669 -3.096 2.905 175 1HB LYS 667 1HB LYS 667 -2.974 -4.871 1.121 176 2HB LYS 667 2HB LYS 667 -4.067 -5.685 2.232 177 1HG LYS 667 1HG LYS 667 -5.301 -3.411 2.300 178 2HG LYS 667 2HG LYS 667 -4.415 -3.082 0.809 179 1HD LYS 667 1HD LYS 667 -5.366 -5.037 -0.239 180 2HD LYS 667 2HD LYS 667 -6.153 -5.506 1.270 181 1HE LYS 667 1HE LYS 667 -7.204 -3.093 1.061 182 2HE LYS 667 2HE LYS 667 -6.843 -3.336 -0.648 183 1HZ LYS 667 1HZ LYS 667 -8.994 -4.346 0.826 184 2HZ LYS 667 2HZ LYS 667 -8.048 -5.661 0.340 185 3HZ LYS 667 3HZ LYS 667 -8.648 -4.580 -0.814 186 H ASP 668 H ASP 668 -3.174 -6.043 4.758 187 HA ASP 668 HA ASP 668 -5.566 -5.354 6.033 188 1HB ASP 668 1HB ASP 668 -3.328 -7.229 6.603 189 2HB ASP 668 2HB ASP 668 -4.423 -6.853 7.930 190 H MET 669 H MET 669 -2.200 -4.745 6.978 191 HA MET 669 HA MET 669 -2.885 -3.413 9.405 192 1HB MET 669 1HB MET 669 -0.482 -2.658 9.331 193 2HB MET 669 2HB MET 669 -0.722 -4.400 9.274 194 1HG MET 669 1HG MET 669 -0.338 -4.414 6.892 195 2HG MET 669 2HG MET 669 -0.210 -2.657 6.876 196 1HE MET 669 1HE MET 669 1.971 -2.466 5.748 197 2HE MET 669 2HE MET 669 2.076 -1.406 7.154 198 3HE MET 669 3HE MET 669 3.450 -2.419 6.707 199 H LEU 670 H LEU 670 -2.150 -2.362 6.120 200 HA LEU 670 HA LEU 670 -1.859 0.357 6.493 201 1HB LEU 670 1HB LEU 670 -2.998 -1.271 4.255 202 2HB LEU 670 2HB LEU 670 -2.995 0.489 4.169 203 HG LEU 670 HG LEU 670 -0.563 -1.281 4.413 204 1HD1 LEU 670 1HD1 LEU 670 -1.335 -1.505 2.218 205 2HD1 LEU 670 2HD1 LEU 670 -0.116 -0.235 2.127 206 3HD1 LEU 670 3HD1 LEU 670 -1.829 0.185 2.122 207 1HD2 LEU 670 1HD2 LEU 670 0.389 1.124 3.707 208 2HD2 LEU 670 2HD2 LEU 670 0.257 0.590 5.383 209 3HD2 LEU 670 3HD2 LEU 670 -0.987 1.630 4.687 210 H LEU 671 H LEU 671 -4.869 -1.470 6.009 211 HA LEU 671 HA LEU 671 -6.522 0.857 6.308 212 1HB LEU 671 1HB LEU 671 -7.398 -0.843 4.941 213 2HB LEU 671 2HB LEU 671 -7.064 -2.091 6.140 214 HG LEU 671 HG LEU 671 -8.839 -1.016 7.578 215 1HD1 LEU 671 1HD1 LEU 671 -10.527 0.237 5.991 216 2HD1 LEU 671 2HD1 LEU 671 -9.046 0.659 5.131 217 3HD1 LEU 671 3HD1 LEU 671 -9.238 1.103 6.827 218 1HD2 LEU 671 1HD2 LEU 671 -9.097 -3.052 6.068 219 2HD2 LEU 671 2HD2 LEU 671 -9.912 -1.969 4.939 220 3HD2 LEU 671 3HD2 LEU 671 -10.574 -2.220 6.555 221 H GLU 672 H GLU 672 -5.870 -2.013 8.313 222 HA GLU 672 HA GLU 672 -7.461 -1.390 10.487 223 1HB GLU 672 1HB GLU 672 -4.935 -2.950 10.153 224 2HB GLU 672 2HB GLU 672 -5.512 -2.619 11.780 225 1HG GLU 672 1HG GLU 672 -7.699 -3.627 11.126 226 2HG GLU 672 2HG GLU 672 -6.955 -4.106 9.602 227 H ARG 673 H ARG 673 -3.936 -0.843 10.379 228 HA ARG 673 HA ARG 673 -3.621 0.678 12.609 229 1HB ARG 673 1HB ARG 673 -2.264 0.800 9.934 230 2HB ARG 673 2HB ARG 673 -1.811 1.918 11.214 231 1HG ARG 673 1HG ARG 673 -1.836 -1.054 11.627 232 2HG ARG 673 2HG ARG 673 -0.435 -0.200 10.978 233 1HD ARG 673 1HD ARG 673 -1.765 0.513 13.584 234 2HD ARG 673 2HD ARG 673 -0.401 -0.597 13.459 235 HE ARG 673 HE ARG 673 0.340 1.740 12.165 236 1HH1 ARG 673 2HH1 ARG 673 -0.546 0.734 15.378 237 2HH1 ARG 673 1HH1 ARG 673 0.420 1.939 16.163 238 1HH2 ARG 673 2HH2 ARG 673 1.615 3.331 13.186 239 2HH2 ARG 673 1HH2 ARG 673 1.649 3.417 14.915 240 H GLY 674 H GLY 674 -5.045 1.670 9.573 241 1HA GLY 674 1HA GLY 674 -6.620 3.434 9.417 242 2HA GLY 674 2HA GLY 674 -5.918 4.153 10.859 243 H VAL 675 H VAL 675 -4.392 3.075 7.837 244 HA VAL 675 HA VAL 675 -2.773 5.419 7.695 245 HB VAL 675 HB VAL 675 -3.265 3.228 5.677 246 1HG1 VAL 675 1HG1 VAL 675 -1.413 4.084 4.413 247 2HG1 VAL 675 2HG1 VAL 675 -2.590 5.381 4.627 248 3HG1 VAL 675 3HG1 VAL 675 -1.124 5.348 5.607 249 1HG2 VAL 675 1HG2 VAL 675 -2.105 2.226 7.400 250 2HG2 VAL 675 2HG2 VAL 675 -0.788 2.793 6.374 251 3HG2 VAL 675 3HG2 VAL 675 -1.235 3.703 7.817 252 H SER 676 H SER 676 -4.176 7.187 7.611 253 HA SER 676 HA SER 676 -6.345 7.511 5.896 254 1HB SER 676 1HB SER 676 -4.458 9.656 6.903 255 2HB SER 676 2HB SER 676 -6.085 9.921 6.277 256 HG SER 676 HG SER 676 -6.567 9.726 8.329 257 H ALA 677 H ALA 677 -6.501 7.688 3.767 258 HA ALA 677 HA ALA 677 -4.347 7.525 2.013 259 1HB ALA 677 1HB ALA 677 -7.235 8.072 1.762 260 2HB ALA 677 2HB ALA 677 -6.224 8.596 0.414 261 3HB ALA 677 3HB ALA 677 -6.219 6.905 0.915 262 H PHE 678 H PHE 678 -5.929 10.315 3.409 263 HA PHE 678 HA PHE 678 -4.813 12.251 1.652 264 1HB PHE 678 1HB PHE 678 -5.859 12.577 4.472 265 2HB PHE 678 2HB PHE 678 -5.530 13.890 3.347 266 HD1 PHE 678 1HD PHE 678 -6.958 14.242 1.396 267 HD2 PHE 678 2HD PHE 678 -7.821 11.225 4.271 268 HE1 PHE 678 1HE PHE 678 -9.247 14.060 0.512 269 HE2 PHE 678 2HE PHE 678 -10.111 11.037 3.392 270 HZ PHE 678 HZ PHE 678 -10.827 12.455 1.510 271 H SER 679 H SER 679 -3.608 10.524 4.374 272 HA SER 679 HA SER 679 -1.610 12.346 5.211 273 1HB SER 679 1HB SER 679 -2.411 10.428 6.580 274 2HB SER 679 2HB SER 679 -1.604 9.328 5.463 275 HG SER 679 HG SER 679 -0.432 10.011 7.450 276 H THR 680 H THR 680 0.789 11.598 5.132 277 HA THR 680 HA THR 680 1.444 11.176 2.298 278 HB THR 680 HB THR 680 3.702 12.108 2.951 279 HG1 THR 680 1HG THR 680 2.955 11.749 5.341 280 1HG2 THR 680 1HG2 THR 680 2.133 13.518 1.800 281 2HG2 THR 680 2HG2 THR 680 2.873 14.460 3.095 282 3HG2 THR 680 3HG2 THR 680 1.241 13.821 3.291 283 H TRP 681 H TRP 681 3.347 9.904 1.777 284 HA TRP 681 HA TRP 681 3.334 7.373 2.971 285 1HB TRP 681 1HB TRP 681 4.073 7.500 0.728 286 2HB TRP 681 2HB TRP 681 5.272 8.733 1.108 287 HD1 TRP 681 HD TRP 681 7.663 7.848 1.231 288 HE1 TRP 681 1HE TRP 681 8.772 5.568 1.671 289 HE3 TRP 681 3HE TRP 681 3.476 5.085 2.213 290 HZ2 TRP 681 2HZ TRP 681 7.977 2.945 2.345 291 HZ3 TRP 681 3HZ TRP 681 3.737 2.697 2.746 292 HH2 TRP 681 HH TRP 681 5.942 1.651 2.810 293 H GLU 682 H GLU 682 5.307 10.205 3.570 294 HA GLU 682 HA GLU 682 7.357 9.008 5.060 295 1HB GLU 682 1HB GLU 682 6.227 11.759 4.853 296 2HB GLU 682 2HB GLU 682 7.298 11.407 6.202 297 1HG GLU 682 1HG GLU 682 8.996 10.618 4.569 298 2HG GLU 682 2HG GLU 682 7.932 11.159 3.272 299 H LYS 683 H LYS 683 4.470 10.727 6.265 300 HA LYS 683 HA LYS 683 4.805 10.107 8.960 301 1HB LYS 683 1HB LYS 683 2.391 10.776 7.299 302 2HB LYS 683 2HB LYS 683 2.230 10.398 9.009 303 1HG LYS 683 1HG LYS 683 3.606 12.252 9.620 304 2HG LYS 683 2HG LYS 683 4.018 12.565 7.933 305 1HD LYS 683 1HD LYS 683 1.470 12.843 7.603 306 2HD LYS 683 2HD LYS 683 1.420 13.016 9.359 307 1HE LYS 683 1HE LYS 683 3.202 14.803 9.085 308 2HE LYS 683 2HE LYS 683 2.858 14.740 7.357 309 1HZ LYS 683 1HZ LYS 683 0.613 15.090 9.204 310 2HZ LYS 683 2HZ LYS 683 0.817 15.680 7.632 311 3HZ LYS 683 3HZ LYS 683 1.625 16.416 8.923 312 H GLU 684 H GLU 684 2.595 8.516 6.649 313 HA GLU 684 HA GLU 684 1.783 6.441 8.307 314 1HB GLU 684 1HB GLU 684 2.158 6.267 5.314 315 2HB GLU 684 2HB GLU 684 1.087 5.282 6.299 316 1HG GLU 684 1HG GLU 684 -0.444 6.968 6.573 317 2HG GLU 684 2HG GLU 684 0.747 8.239 6.301 318 H LEU 685 H LEU 685 4.622 6.701 6.236 319 HA LEU 685 HA LEU 685 5.523 4.085 6.276 320 1HB LEU 685 1HB LEU 685 6.698 5.507 4.878 321 2HB LEU 685 2HB LEU 685 6.900 6.732 6.129 322 HG LEU 685 HG LEU 685 8.435 4.938 7.242 323 1HD1 LEU 685 1HD1 LEU 685 7.773 3.695 4.738 324 2HD1 LEU 685 2HD1 LEU 685 8.696 3.057 6.098 325 3HD1 LEU 685 3HD1 LEU 685 9.509 3.990 4.842 326 1HD2 LEU 685 1HD2 LEU 685 10.250 6.081 6.424 327 2HD2 LEU 685 2HD2 LEU 685 8.948 7.206 6.038 328 3HD2 LEU 685 3HD2 LEU 685 9.605 6.153 4.784 329 H HIS 686 H HIS 686 6.351 6.689 8.564 330 HA HIS 686 HA HIS 686 7.877 5.051 10.287 331 1HB HIS 686 1HB HIS 686 7.952 6.898 11.753 332 2HB HIS 686 2HB HIS 686 7.856 7.607 10.143 333 HD1 HIS 686 1HD HIS 686 6.270 9.486 10.031 334 HD2 HIS 686 2HD HIS 686 5.126 6.686 12.879 335 HE1 HIS 686 1HE HIS 686 4.175 10.406 11.073 336 H LYS 687 H LYS 687 4.467 5.692 10.023 337 HA LYS 687 HA LYS 687 3.709 4.771 12.598 338 1HB LYS 687 1HB LYS 687 2.214 5.121 10.007 339 2HB LYS 687 2HB LYS 687 1.435 4.477 11.446 340 1HG LYS 687 1HG LYS 687 2.041 6.541 12.656 341 2HG LYS 687 2HG LYS 687 2.719 7.186 11.160 342 1HD LYS 687 1HD LYS 687 0.385 6.675 10.164 343 2HD LYS 687 2HD LYS 687 -0.140 6.610 11.848 344 1HE LYS 687 1HE LYS 687 0.323 8.852 12.211 345 2HE LYS 687 2HE LYS 687 1.454 8.940 10.861 346 1HZ LYS 687 1HZ LYS 687 -0.240 9.123 9.339 347 2HZ LYS 687 2HZ LYS 687 -0.884 9.987 10.642 348 3HZ LYS 687 3HZ LYS 687 -1.392 8.401 10.345 349 H ILE 688 H ILE 688 4.266 3.196 9.519 350 HA ILE 688 HA ILE 688 3.557 0.612 10.742 351 HB ILE 688 HB ILE 688 3.371 -0.270 8.451 352 1HG1 ILE 688 1HG1 ILE 688 3.416 2.509 7.354 353 2HG1 ILE 688 2HG1 ILE 688 4.948 1.686 7.622 354 1HG2 ILE 688 1HG2 ILE 688 1.417 1.460 7.816 355 2HG2 ILE 688 2HG2 ILE 688 1.265 0.244 9.084 356 3HG2 ILE 688 3HG2 ILE 688 1.680 1.906 9.502 357 1HD1 ILE 688 1HD1 ILE 688 3.421 -0.192 6.300 358 2HD1 ILE 688 2HD1 ILE 688 2.993 1.332 5.521 359 3HD1 ILE 688 3HD1 ILE 688 4.680 0.824 5.598 360 H VAL 689 H VAL 689 6.158 2.428 10.398 361 HA VAL 689 HA VAL 689 8.038 0.793 9.061 362 HB VAL 689 HB VAL 689 8.357 3.221 9.628 363 1HG1 VAL 689 1HG1 VAL 689 8.720 3.974 11.739 364 2HG1 VAL 689 2HG1 VAL 689 7.697 2.591 12.133 365 3HG1 VAL 689 3HG1 VAL 689 9.451 2.461 12.273 366 1HG2 VAL 689 1HG2 VAL 689 10.321 2.414 8.842 367 2HG2 VAL 689 2HG2 VAL 689 10.833 2.687 10.507 368 3HG2 VAL 689 3HG2 VAL 689 10.354 1.072 9.986 369 H PHE 690 H PHE 690 6.659 0.687 12.232 370 HA PHE 690 HA PHE 690 8.719 -1.045 13.303 371 1HB PHE 690 1HB PHE 690 7.602 -0.889 15.363 372 2HB PHE 690 2HB PHE 690 7.351 0.690 14.626 373 HD1 PHE 690 1HD PHE 690 5.763 -2.551 15.374 374 HD2 PHE 690 2HD PHE 690 5.183 1.465 14.089 375 HE1 PHE 690 1HE PHE 690 3.332 -2.821 15.639 376 HE2 PHE 690 2HE PHE 690 2.751 1.201 14.353 377 HZ PHE 690 HZ PHE 690 1.822 -0.943 15.129 378 H ASP 691 H ASP 691 5.297 -1.311 12.393 379 HA ASP 691 HA ASP 691 4.573 -3.790 13.047 380 1HB ASP 691 1HB ASP 691 3.161 -2.391 11.655 381 2HB ASP 691 2HB ASP 691 4.266 -2.571 10.296 382 HA PRO 692 HA PRO 692 7.525 -6.683 11.529 383 1HB PRO 692 1HB PRO 692 5.982 -8.917 11.573 384 2HB PRO 692 2HB PRO 692 6.622 -8.162 13.038 385 1HG PRO 692 1HG PRO 692 3.894 -7.935 11.826 386 2HG PRO 692 2HG PRO 692 4.349 -8.138 13.528 387 1HD PRO 692 1HD PRO 692 3.651 -5.740 12.481 388 2HD PRO 692 2HD PRO 692 4.836 -5.901 13.794 389 H ARG 693 H ARG 693 4.281 -6.716 10.083 390 HA ARG 693 HA ARG 693 5.017 -8.134 7.746 391 1HB ARG 693 1HB ARG 693 2.718 -6.208 8.128 392 2HB ARG 693 2HB ARG 693 2.865 -7.410 6.853 393 1HG ARG 693 1HG ARG 693 2.511 -9.187 8.321 394 2HG ARG 693 2HG ARG 693 2.865 -8.201 9.741 395 1HD ARG 693 1HD ARG 693 0.578 -7.414 8.011 396 2HD ARG 693 2HD ARG 693 0.387 -8.821 9.056 397 HE ARG 693 HE ARG 693 0.335 -6.112 9.858 398 1HH1 ARG 693 2HH1 ARG 693 1.480 -9.240 10.870 399 2HH1 ARG 693 1HH1 ARG 693 1.417 -8.861 12.559 400 1HH2 ARG 693 2HH2 ARG 693 0.249 -5.601 12.079 401 2HH2 ARG 693 1HH2 ARG 693 0.716 -6.791 13.246 402 H TYR 694 H TYR 694 5.415 -4.865 8.722 403 HA TYR 694 HA TYR 694 5.491 -3.600 6.207 404 1HB TYR 694 1HB TYR 694 5.348 -2.127 8.009 405 2HB TYR 694 2HB TYR 694 6.614 -2.950 8.912 406 HD1 TYR 694 1HD TYR 694 8.866 -2.264 8.743 407 HD2 TYR 694 2HD TYR 694 5.989 -0.736 6.007 408 HE1 TYR 694 1HE TYR 694 10.513 -0.625 7.936 409 HE2 TYR 694 2HE TYR 694 7.629 0.906 5.191 410 HH TYR 694 HH TYR 694 10.530 1.566 6.810 411 H LEU 695 H LEU 695 7.654 -5.762 7.727 412 HA LEU 695 HA LEU 695 9.805 -5.028 5.856 413 1HB LEU 695 1HB LEU 695 10.030 -6.752 8.315 414 2HB LEU 695 2HB LEU 695 11.347 -6.116 7.331 415 HG LEU 695 HG LEU 695 9.477 -4.348 8.893 416 1HD1 LEU 695 1HD1 LEU 695 11.123 -4.255 10.641 417 2HD1 LEU 695 2HD1 LEU 695 12.183 -5.353 9.758 418 3HD1 LEU 695 3HD1 LEU 695 10.644 -5.934 10.394 419 1HD2 LEU 695 1HD2 LEU 695 11.058 -2.649 8.511 420 2HD2 LEU 695 2HD2 LEU 695 10.866 -3.461 6.957 421 3HD2 LEU 695 3HD2 LEU 695 12.280 -3.795 7.959 422 H LEU 696 H LEU 696 7.360 -6.709 5.386 423 HA LEU 696 HA LEU 696 8.641 -9.278 4.761 424 1HB LEU 696 1HB LEU 696 5.747 -8.479 4.977 425 2HB LEU 696 2HB LEU 696 6.279 -10.042 4.361 426 HG LEU 696 HG LEU 696 6.753 -8.991 7.150 427 1HD1 LEU 696 1HD1 LEU 696 5.056 -11.344 6.427 428 2HD1 LEU 696 2HD1 LEU 696 4.387 -9.713 6.394 429 3HD1 LEU 696 3HD1 LEU 696 5.046 -10.364 7.894 430 1HD2 LEU 696 1HD2 LEU 696 7.436 -11.630 5.861 431 2HD2 LEU 696 2HD2 LEU 696 7.526 -11.302 7.592 432 3HD2 LEU 696 3HD2 LEU 696 8.567 -10.422 6.471 433 H LEU 697 H LEU 697 7.221 -6.447 3.366 434 HA LEU 697 HA LEU 697 7.423 -7.646 0.685 435 1HB LEU 697 1HB LEU 697 5.717 -5.460 1.810 436 2HB LEU 697 2HB LEU 697 6.054 -5.526 0.081 437 HG LEU 697 HG LEU 697 4.813 -7.816 1.590 438 1HD1 LEU 697 1HD1 LEU 697 3.022 -6.298 -0.110 439 2HD1 LEU 697 2HD1 LEU 697 3.633 -5.341 1.240 440 3HD1 LEU 697 3HD1 LEU 697 2.802 -6.866 1.545 441 1HD2 LEU 697 1HD2 LEU 697 4.850 -7.109 -1.342 442 2HD2 LEU 697 2HD2 LEU 697 4.125 -8.544 -0.616 443 3HD2 LEU 697 3HD2 LEU 697 5.875 -8.321 -0.572 444 H ASN 698 H ASN 698 8.569 -6.605 -0.927 445 HA ASN 698 HA ASN 698 10.897 -5.287 -0.279 446 1HB ASN 698 1HB ASN 698 9.329 -5.650 -2.773 447 2HB ASN 698 2HB ASN 698 10.548 -4.379 -2.789 448 1HD2 ASN 698 1HD2 ASN 698 11.593 -5.671 -4.409 449 2HD2 ASN 698 2HD2 ASN 698 12.594 -6.997 -3.937 450 HA PRO 699 HA PRO 699 10.023 -1.050 0.448 451 1HB PRO 699 1HB PRO 699 12.003 0.225 -0.903 452 2HB PRO 699 2HB PRO 699 12.288 -0.689 0.582 453 1HG PRO 699 1HG PRO 699 12.721 -1.514 -2.263 454 2HG PRO 699 2HG PRO 699 13.763 -1.774 -0.852 455 1HD PRO 699 1HD PRO 699 12.144 -3.705 -1.843 456 2HD PRO 699 2HD PRO 699 12.528 -3.576 -0.115 457 H LYS 700 H LYS 700 10.493 -1.946 -2.928 458 HA LYS 700 HA LYS 700 9.354 0.434 -4.012 459 1HB LYS 700 1HB LYS 700 10.138 -2.239 -5.095 460 2HB LYS 700 2HB LYS 700 9.105 -1.202 -6.069 461 1HG LYS 700 1HG LYS 700 11.125 -0.529 -6.842 462 2HG LYS 700 2HG LYS 700 10.969 0.584 -5.481 463 1HD LYS 700 1HD LYS 700 12.137 -1.384 -4.174 464 2HD LYS 700 2HD LYS 700 12.704 -1.819 -5.788 465 1HE LYS 700 1HE LYS 700 14.301 -0.377 -4.604 466 2HE LYS 700 2HE LYS 700 13.680 0.383 -6.069 467 1HZ LYS 700 1HZ LYS 700 12.895 2.065 -4.884 468 2HZ LYS 700 2HZ LYS 700 13.671 1.433 -3.520 469 3HZ LYS 700 3HZ LYS 700 12.057 1.034 -3.836 470 H GLU 701 H GLU 701 8.123 -2.839 -3.413 471 HA GLU 701 HA GLU 701 5.577 -2.502 -4.516 472 1HB GLU 701 1HB GLU 701 6.585 -4.275 -2.297 473 2HB GLU 701 2HB GLU 701 4.924 -4.338 -2.870 474 1HG GLU 701 1HG GLU 701 7.200 -4.624 -4.784 475 2HG GLU 701 2HG GLU 701 6.656 -5.995 -3.820 476 H ARG 702 H ARG 702 6.582 -2.200 -1.108 477 HA ARG 702 HA ARG 702 4.350 -1.565 0.196 478 1HB ARG 702 1HB ARG 702 7.052 -0.266 0.329 479 2HB ARG 702 2HB ARG 702 5.747 0.297 1.366 480 1HG ARG 702 1HG ARG 702 5.699 -1.643 2.593 481 2HG ARG 702 2HG ARG 702 6.391 -2.610 1.289 482 1HD ARG 702 1HD ARG 702 7.942 -2.237 3.195 483 2HD ARG 702 2HD ARG 702 8.559 -1.653 1.649 484 HE ARG 702 HE ARG 702 7.204 0.321 3.277 485 1HH1 ARG 702 2HH1 ARG 702 10.230 -1.148 2.381 486 2HH1 ARG 702 1HH1 ARG 702 11.188 0.197 2.905 487 1HH2 ARG 702 2HH2 ARG 702 8.454 2.099 3.970 488 2HH2 ARG 702 1HH2 ARG 702 10.176 2.043 3.809 489 H LYS 703 H LYS 703 6.130 0.796 -1.786 490 HA LYS 703 HA LYS 703 4.243 2.884 -1.441 491 1HB LYS 703 1HB LYS 703 6.700 3.017 -2.225 492 2HB LYS 703 2HB LYS 703 6.067 2.635 -3.821 493 1HG LYS 703 1HG LYS 703 6.124 4.926 -3.884 494 2HG LYS 703 2HG LYS 703 4.464 4.635 -3.361 495 1HD LYS 703 1HD LYS 703 4.974 5.168 -1.117 496 2HD LYS 703 2HD LYS 703 6.712 5.085 -1.413 497 1HE LYS 703 1HE LYS 703 6.066 7.392 -1.248 498 2HE LYS 703 2HE LYS 703 6.493 7.043 -2.923 499 1HZ LYS 703 1HZ LYS 703 3.995 6.652 -3.215 500 2HZ LYS 703 2HZ LYS 703 4.539 8.248 -3.091 501 3HZ LYS 703 3HZ LYS 703 3.821 7.495 -1.758 502 H GLN 704 H GLN 704 4.772 0.522 -4.037 503 HA GLN 704 HA GLN 704 2.817 1.435 -5.804 504 1HB GLN 704 1HB GLN 704 4.215 -1.150 -5.357 505 2HB GLN 704 2HB GLN 704 2.764 -1.180 -6.350 506 1HG GLN 704 1HG GLN 704 4.853 0.852 -6.938 507 2HG GLN 704 2HG GLN 704 5.138 -0.824 -7.405 508 1HE2 GLN 704 1HE2 GLN 704 4.674 1.635 -8.997 509 2HE2 GLN 704 2HE2 GLN 704 3.355 1.252 -10.045 510 H VAL 705 H VAL 705 2.539 -1.300 -3.526 511 HA VAL 705 HA VAL 705 -0.174 -1.774 -3.852 512 HB VAL 705 HB VAL 705 1.489 -2.135 -1.356 513 1HG1 VAL 705 1HG1 VAL 705 -0.256 -3.072 -0.314 514 2HG1 VAL 705 2HG1 VAL 705 -1.245 -2.232 -1.510 515 3HG1 VAL 705 3HG1 VAL 705 -0.787 -3.916 -1.768 516 1HG2 VAL 705 1HG2 VAL 705 0.717 -4.185 -3.423 517 2HG2 VAL 705 2HG2 VAL 705 2.248 -3.310 -3.444 518 3HG2 VAL 705 3HG2 VAL 705 1.858 -4.370 -2.090 519 H PHE 706 H PHE 706 1.445 0.355 -1.514 520 HA PHE 706 HA PHE 706 -0.853 1.205 -0.156 521 1HB PHE 706 1HB PHE 706 1.164 1.710 0.915 522 2HB PHE 706 2HB PHE 706 1.879 2.386 -0.545 523 HD1 PHE 706 1HD PHE 706 1.805 4.679 -0.957 524 HD2 PHE 706 2HD PHE 706 -0.716 2.996 2.032 525 HE1 PHE 706 1HE PHE 706 1.176 6.940 -0.219 526 HE2 PHE 706 2HE PHE 706 -1.349 5.254 2.774 527 HZ PHE 706 HZ PHE 706 -0.403 7.230 1.648 528 H ASP 707 H ASP 707 0.760 2.485 -3.027 529 HA ASP 707 HA ASP 707 -0.663 4.846 -3.350 530 1HB ASP 707 1HB ASP 707 1.331 4.013 -4.698 531 2HB ASP 707 2HB ASP 707 0.178 3.074 -5.643 532 H GLN 708 H GLN 708 -1.401 1.648 -4.740 533 HA GLN 708 HA GLN 708 -3.811 2.394 -5.968 534 1HB GLN 708 1HB GLN 708 -2.865 -0.292 -4.961 535 2HB GLN 708 2HB GLN 708 -4.316 -0.064 -5.929 536 1HG GLN 708 1HG GLN 708 -1.621 0.853 -6.869 537 2HG GLN 708 2HG GLN 708 -2.198 -0.791 -7.132 538 1HE2 GLN 708 1HE2 GLN 708 -3.741 -1.178 -8.654 539 2HE2 GLN 708 2HE2 GLN 708 -4.332 0.026 -9.743 540 H TYR 709 H TYR 709 -3.106 1.187 -2.730 541 HA TYR 709 HA TYR 709 -5.769 0.784 -1.905 542 1HB TYR 709 1HB TYR 709 -4.166 -0.229 -0.539 543 2HB TYR 709 2HB TYR 709 -3.178 1.225 -0.453 544 HD1 TYR 709 1HD TYR 709 -5.954 -0.607 1.002 545 HD2 TYR 709 2HD TYR 709 -3.860 3.097 1.019 546 HE1 TYR 709 1HE TYR 709 -7.001 -0.032 3.151 547 HE2 TYR 709 2HE TYR 709 -4.900 3.682 3.170 548 HH TYR 709 HH TYR 709 -7.384 2.713 4.334 549 H VAL 710 H VAL 710 -3.652 3.603 -1.805 550 HA VAL 710 HA VAL 710 -5.396 5.238 -0.270 551 HB VAL 710 HB VAL 710 -3.184 6.032 -2.168 552 1HG1 VAL 710 1HG1 VAL 710 -3.510 8.191 -1.656 553 2HG1 VAL 710 2HG1 VAL 710 -5.137 7.674 -1.209 554 3HG1 VAL 710 3HG1 VAL 710 -3.890 7.836 0.029 555 1HG2 VAL 710 1HG2 VAL 710 -2.423 6.494 0.474 556 2HG2 VAL 710 2HG2 VAL 710 -3.189 4.905 0.490 557 3HG2 VAL 710 3HG2 VAL 710 -1.834 5.220 -0.594 558 H LYS 711 H LYS 711 -4.655 5.188 -3.757 559 HA LYS 711 HA LYS 711 -6.363 7.139 -4.642 560 1HB LYS 711 1HB LYS 711 -5.376 4.592 -5.856 561 2HB LYS 711 2HB LYS 711 -6.608 5.514 -6.707 562 1HG LYS 711 1HG LYS 711 -5.198 7.280 -7.120 563 2HG LYS 711 2HG LYS 711 -4.151 6.903 -5.750 564 1HD LYS 711 1HD LYS 711 -2.826 6.213 -7.492 565 2HD LYS 711 2HD LYS 711 -3.684 4.713 -7.130 566 1HE LYS 711 1HE LYS 711 -3.664 5.087 -9.518 567 2HE LYS 711 2HE LYS 711 -5.309 5.248 -8.905 568 1HZ LYS 711 1HZ LYS 711 -3.748 7.140 -10.304 569 2HZ LYS 711 2HZ LYS 711 -4.171 7.771 -8.794 570 3HZ LYS 711 3HZ LYS 711 -5.376 7.233 -9.853 571 H THR 712 H THR 712 -7.147 3.709 -4.132 572 HA THR 712 HA THR 712 -9.866 3.931 -4.883 573 HB THR 712 HB THR 712 -10.156 1.755 -3.697 574 HG1 THR 712 1HG THR 712 -7.365 1.962 -3.169 575 1HG2 THR 712 1HG2 THR 712 -9.285 0.647 -5.457 576 2HG2 THR 712 2HG2 THR 712 -7.669 1.302 -5.197 577 3HG2 THR 712 3HG2 THR 712 -8.882 2.259 -6.046 578 H ARG 713 H ARG 713 -8.195 4.191 -1.785 579 HA ARG 713 HA ARG 713 -10.462 4.249 -0.128 580 1HB ARG 713 1HB ARG 713 -7.678 5.355 0.182 581 2HB ARG 713 2HB ARG 713 -8.895 5.541 1.438 582 1HG ARG 713 1HG ARG 713 -8.374 2.818 0.368 583 2HG ARG 713 2HG ARG 713 -7.190 3.542 1.458 584 1HD ARG 713 1HD ARG 713 -8.724 3.689 3.215 585 2HD ARG 713 2HD ARG 713 -10.109 3.498 2.140 586 HE ARG 713 HE ARG 713 -8.684 1.427 3.426 587 1HH1 ARG 713 2HH1 ARG 713 -10.213 2.213 0.399 588 2HH1 ARG 713 1HH1 ARG 713 -10.574 0.565 0.004 589 1HH2 ARG 713 2HH2 ARG 713 -9.155 -0.746 2.918 590 2HH2 ARG 713 1HH2 ARG 713 -9.973 -1.117 1.438 591 H ALA 714 H ALA 714 -8.618 6.885 -1.637 592 HA ALA 714 HA ALA 714 -10.325 8.935 -0.606 593 1HB ALA 714 1HB ALA 714 -8.533 10.128 -1.142 594 2HB ALA 714 2HB ALA 714 -7.869 8.791 -2.081 595 3HB ALA 714 3HB ALA 714 -8.966 9.943 -2.842 596 H GLU 715 H GLU 715 -9.829 7.617 -3.885 597 HA GLU 715 HA GLU 715 -11.772 9.040 -5.223 598 1HB GLU 715 1HB GLU 715 -11.594 7.478 -6.943 599 2HB GLU 715 2HB GLU 715 -10.055 7.319 -6.107 600 1HG GLU 715 1HG GLU 715 -10.624 5.127 -6.387 601 2HG GLU 715 2HG GLU 715 -11.296 5.440 -4.788 602 H GLU 716 H GLU 716 -12.146 6.395 -3.000 603 HA GLU 716 HA GLU 716 -14.984 6.124 -3.652 604 1HB GLU 716 1HB GLU 716 -13.377 4.144 -3.237 605 2HB GLU 716 2HB GLU 716 -13.527 4.562 -1.536 606 1HG GLU 716 1HG GLU 716 -15.753 3.966 -1.445 607 2HG GLU 716 2HG GLU 716 -15.977 4.140 -3.185 608 H GLU 717 H GLU 717 -13.849 8.517 -2.346 609 HA GLU 717 HA GLU 717 -14.265 8.665 0.374 610 1HB GLU 717 1HB GLU 717 -15.022 11.097 -0.190 611 2HB GLU 717 2HB GLU 717 -13.372 10.597 -0.530 612 1HG GLU 717 1HG GLU 717 -13.676 10.624 -2.789 613 2HG GLU 717 2HG GLU 717 -15.400 10.278 -2.673 614 H ARG 718 H ARG 718 -15.965 8.238 1.600 615 HA ARG 718 HA ARG 718 -18.652 8.479 0.419 616 1HB ARG 718 1HB ARG 718 -17.452 6.556 2.359 617 2HB ARG 718 2HB ARG 718 -19.160 6.941 2.519 618 1HG ARG 718 1HG ARG 718 -19.596 6.173 0.283 619 2HG ARG 718 2HG ARG 718 -17.873 5.923 -0.004 620 1HD ARG 718 1HD ARG 718 -19.719 4.393 1.802 621 2HD ARG 718 2HD ARG 718 -18.728 3.790 0.475 622 HE ARG 718 HE ARG 718 -16.902 3.731 1.887 623 1HH1 ARG 718 2HH1 ARG 718 -19.576 5.333 3.437 624 2HH1 ARG 718 1HH1 ARG 718 -18.842 5.323 5.006 625 1HH2 ARG 718 2HH2 ARG 718 -15.925 3.712 3.948 626 2HH2 ARG 718 1HH2 ARG 718 -16.765 4.402 5.296 627 H ARG 719 H ARG 719 -19.174 10.563 0.944 628 HA ARG 719 HA ARG 719 -18.639 11.734 3.480 629 1HB ARG 719 1HB ARG 719 -20.598 12.556 1.328 630 2HB ARG 719 2HB ARG 719 -20.135 13.544 2.707 631 1HG ARG 719 1HG ARG 719 -18.052 12.518 0.828 632 2HG ARG 719 2HG ARG 719 -19.009 13.941 0.415 633 1HD ARG 719 1HD ARG 719 -16.919 14.581 1.489 634 2HD ARG 719 2HD ARG 719 -18.302 15.021 2.491 635 HE ARG 719 HE ARG 719 -17.495 13.634 4.109 636 1HH1 ARG 719 2HH1 ARG 719 -16.089 12.717 1.060 637 2HH1 ARG 719 1HH1 ARG 719 -15.032 11.533 1.755 638 1HH2 ARG 719 2HH2 ARG 719 -16.108 12.078 5.036 639 2HH2 ARG 719 1HH2 ARG 719 -15.044 11.170 4.017 640 H SER 720 H SER 720 -20.560 12.750 4.730 641 HA SER 720 HA SER 720 -22.267 10.536 5.538 642 1HB SER 720 1HB SER 720 -22.898 12.172 7.402 643 2HB SER 720 2HB SER 720 -21.225 11.615 7.374 644 HG SER 720 HG SER 720 -22.245 14.133 7.007 645 H GLY 721 H GLY 721 -24.527 10.651 5.674 646 1HA GLY 721 1HA GLY 721 -25.745 12.823 4.081 647 2HA GLY 721 2HA GLY 721 -26.235 11.143 3.913 648 HA PRO 722 HA PRO 722 -29.415 11.920 6.842 649 1HB PRO 722 1HB PRO 722 -29.889 9.375 7.660 650 2HB PRO 722 2HB PRO 722 -30.388 9.984 6.078 651 1HG PRO 722 1HG PRO 722 -27.996 8.338 6.805 652 2HG PRO 722 2HG PRO 722 -29.093 8.167 5.423 653 1HD PRO 722 1HD PRO 722 -26.666 9.349 5.219 654 2HD PRO 722 2HD PRO 722 -28.055 9.845 4.231 655 H SER 723 H SER 723 -26.343 10.780 7.669 656 HA SER 723 HA SER 723 -26.945 10.682 10.534 657 1HB SER 723 1HB SER 723 -24.367 10.018 9.091 658 2HB SER 723 2HB SER 723 -24.703 9.744 10.800 659 HG SER 723 HG SER 723 -25.540 8.327 8.573 660 H SER 724 H SER 724 -26.055 12.083 12.006 661 HA SER 724 HA SER 724 -24.140 14.085 11.190 662 1HB SER 724 1HB SER 724 -27.034 14.725 11.613 663 2HB SER 724 2HB SER 724 -25.816 15.899 12.112 664 HG SER 724 HG SER 724 -25.636 14.769 9.556 665 H GLY 725 H GLY 725 -23.438 15.441 12.997 666 1HA GLY 725 1HA GLY 725 -23.954 15.711 15.512 667 2HA GLY 725 2HA GLY 725 -23.705 13.972 15.533 Start of MODEL 4 1 1H GLY 644 H GLY 644 -7.394 -26.791 11.399 2 1HA GLY 644 1HA GLY 644 -9.934 -26.719 10.555 3 2HA GLY 644 2HA GLY 644 -9.624 -25.013 10.844 4 H SER 645 H SER 645 -7.722 -27.668 9.413 5 HA SER 645 HA SER 645 -7.493 -26.060 6.961 6 1HB SER 645 1HB SER 645 -5.241 -27.567 8.312 7 2HB SER 645 2HB SER 645 -5.130 -26.739 6.759 8 HG SER 645 HG SER 645 -5.424 -25.646 9.338 9 H SER 646 H SER 646 -9.162 -27.437 6.133 10 HA SER 646 HA SER 646 -9.394 -30.111 6.035 11 1HB SER 646 1HB SER 646 -10.686 -28.250 4.731 12 2HB SER 646 2HB SER 646 -9.566 -28.637 3.425 13 HG SER 646 HG SER 646 -11.222 -30.516 4.762 14 H GLY 647 H GLY 647 -7.745 -31.518 5.974 15 1HA GLY 647 1HA GLY 647 -6.518 -32.759 4.144 16 2HA GLY 647 2HA GLY 647 -5.758 -31.210 3.811 17 H SER 648 H SER 648 -5.089 -34.069 5.059 18 HA SER 648 HA SER 648 -3.048 -32.976 6.838 19 1HB SER 648 1HB SER 648 -5.117 -35.017 7.638 20 2HB SER 648 2HB SER 648 -3.560 -34.904 8.458 21 HG SER 648 HG SER 648 -5.071 -32.573 8.113 22 H SER 649 H SER 649 -1.513 -34.803 7.534 23 HA SER 649 HA SER 649 0.106 -36.252 6.846 24 1HB SER 649 1HB SER 649 -1.793 -37.821 7.251 25 2HB SER 649 2HB SER 649 -2.213 -37.697 5.542 26 HG SER 649 HG SER 649 0.411 -38.385 6.233 27 H GLY 650 H GLY 650 -0.072 -34.024 5.229 28 1HA GLY 650 1HA GLY 650 0.922 -35.128 2.714 29 2HA GLY 650 2HA GLY 650 -0.430 -34.011 2.607 30 H ALA 651 H ALA 651 2.258 -33.727 1.528 31 HA ALA 651 HA ALA 651 4.034 -32.173 2.866 32 1HB ALA 651 1HB ALA 651 3.945 -30.888 0.440 33 2HB ALA 651 2HB ALA 651 4.859 -32.354 0.799 34 3HB ALA 651 3HB ALA 651 3.256 -32.470 0.074 35 H ARG 652 H ARG 652 3.407 -30.680 4.330 36 HA ARG 652 HA ARG 652 1.368 -28.721 3.648 37 1HB ARG 652 1HB ARG 652 2.762 -29.562 6.145 38 2HB ARG 652 2HB ARG 652 2.108 -27.931 6.074 39 1HG ARG 652 1HG ARG 652 -0.104 -28.812 5.607 40 2HG ARG 652 2HG ARG 652 0.537 -30.456 5.605 41 1HD ARG 652 1HD ARG 652 1.189 -30.206 7.947 42 2HD ARG 652 2HD ARG 652 0.568 -28.556 7.948 43 HE ARG 652 HE ARG 652 -0.943 -30.947 8.256 44 1HH1 ARG 652 2HH1 ARG 652 -1.068 -27.721 6.953 45 2HH1 ARG 652 1HH1 ARG 652 -2.791 -27.593 7.090 46 1HH2 ARG 652 2HH2 ARG 652 -3.211 -30.790 8.442 47 2HH2 ARG 652 1HH2 ARG 652 -4.008 -29.338 7.938 48 H GLU 653 H GLU 653 1.724 -26.442 3.815 49 HA GLU 653 HA GLU 653 4.166 -25.610 2.598 50 1HB GLU 653 1HB GLU 653 3.207 -23.343 2.737 51 2HB GLU 653 2HB GLU 653 2.077 -24.500 2.049 52 1HG GLU 653 1HG GLU 653 1.094 -24.698 4.380 53 2HG GLU 653 2HG GLU 653 2.043 -23.268 4.782 54 H ARG 654 H ARG 654 5.961 -24.792 3.485 55 HA ARG 654 HA ARG 654 5.897 -24.027 6.326 56 1HB ARG 654 1HB ARG 654 7.664 -25.987 4.943 57 2HB ARG 654 2HB ARG 654 8.376 -24.984 6.201 58 1HG ARG 654 1HG ARG 654 6.460 -25.762 7.682 59 2HG ARG 654 2HG ARG 654 6.150 -26.979 6.442 60 1HD ARG 654 1HD ARG 654 7.547 -28.127 7.866 61 2HD ARG 654 2HD ARG 654 8.698 -27.477 6.700 62 HE ARG 654 HE ARG 654 9.658 -26.344 8.419 63 1HH1 ARG 654 2HH1 ARG 654 6.328 -26.945 9.237 64 2HH1 ARG 654 1HH1 ARG 654 6.450 -26.230 10.811 65 1HH2 ARG 654 2HH2 ARG 654 9.831 -25.400 10.489 66 2HH2 ARG 654 1HH2 ARG 654 8.442 -25.352 11.521 67 H ALA 655 H ALA 655 7.915 -23.945 3.389 68 HA ALA 655 HA ALA 655 8.705 -21.202 4.130 69 1HB ALA 655 1HB ALA 655 10.277 -23.396 2.820 70 2HB ALA 655 2HB ALA 655 10.745 -21.703 2.666 71 3HB ALA 655 3HB ALA 655 10.673 -22.456 4.259 72 H ILE 656 H ILE 656 6.382 -21.372 2.820 73 HA ILE 656 HA ILE 656 7.080 -20.450 0.116 74 HB ILE 656 HB ILE 656 4.657 -22.130 0.771 75 1HG1 ILE 656 1HG1 ILE 656 6.971 -23.266 0.725 76 2HG1 ILE 656 2HG1 ILE 656 5.697 -23.958 -0.273 77 1HG2 ILE 656 1HG2 ILE 656 5.438 -20.493 -1.527 78 2HG2 ILE 656 2HG2 ILE 656 4.936 -22.132 -1.939 79 3HG2 ILE 656 3HG2 ILE 656 3.848 -21.078 -1.036 80 1HD1 ILE 656 1HD1 ILE 656 7.374 -21.937 -1.589 81 2HD1 ILE 656 2HD1 ILE 656 8.183 -23.441 -1.146 82 3HD1 ILE 656 3HD1 ILE 656 6.761 -23.479 -2.188 83 H VAL 657 H VAL 657 6.863 -18.297 0.599 84 HA VAL 657 HA VAL 657 4.318 -17.390 1.744 85 HB VAL 657 HB VAL 657 6.367 -16.534 2.802 86 1HG1 VAL 657 1HG1 VAL 657 7.579 -16.539 0.494 87 2HG1 VAL 657 2HG1 VAL 657 6.946 -14.896 0.373 88 3HG1 VAL 657 3HG1 VAL 657 8.008 -15.337 1.711 89 1HG2 VAL 657 1HG2 VAL 657 5.040 -14.823 3.302 90 2HG2 VAL 657 2HG2 VAL 657 5.657 -13.982 1.879 91 3HG2 VAL 657 3HG2 VAL 657 4.199 -14.967 1.759 92 HA PRO 658 HA PRO 658 3.388 -16.551 -2.620 93 1HB PRO 658 1HB PRO 658 0.705 -16.410 -2.233 94 2HB PRO 658 2HB PRO 658 1.569 -17.941 -2.417 95 1HG PRO 658 1HG PRO 658 0.642 -16.578 0.082 96 2HG PRO 658 2HG PRO 658 0.554 -18.295 -0.356 97 1HD PRO 658 1HD PRO 658 2.457 -17.309 1.299 98 2HD PRO 658 2HD PRO 658 2.754 -18.682 0.214 99 H LEU 659 H LEU 659 2.565 -14.707 -3.700 100 HA LEU 659 HA LEU 659 3.064 -12.250 -2.457 101 1HB LEU 659 1HB LEU 659 3.113 -12.734 -4.913 102 2HB LEU 659 2HB LEU 659 1.351 -12.700 -4.894 103 HG LEU 659 HG LEU 659 1.532 -10.321 -4.054 104 1HD1 LEU 659 1HD1 LEU 659 4.384 -10.620 -4.983 105 2HD1 LEU 659 2HD1 LEU 659 3.876 -10.487 -3.300 106 3HD1 LEU 659 3HD1 LEU 659 3.606 -9.145 -4.411 107 1HD2 LEU 659 1HD2 LEU 659 1.719 -11.407 -6.655 108 2HD2 LEU 659 2HD2 LEU 659 2.772 -9.993 -6.602 109 3HD2 LEU 659 3HD2 LEU 659 1.068 -9.842 -6.169 110 H GLU 660 H GLU 660 -0.028 -13.803 -3.289 111 HA GLU 660 HA GLU 660 -1.769 -11.839 -2.438 112 1HB GLU 660 1HB GLU 660 -2.409 -13.951 -3.598 113 2HB GLU 660 2HB GLU 660 -2.165 -14.814 -2.086 114 1HG GLU 660 1HG GLU 660 -3.900 -13.328 -1.063 115 2HG GLU 660 2HG GLU 660 -4.226 -12.710 -2.681 116 H ALA 661 H ALA 661 0.069 -14.132 -0.541 117 HA ALA 661 HA ALA 661 -1.313 -13.654 1.916 118 1HB ALA 661 1HB ALA 661 0.674 -14.816 2.924 119 2HB ALA 661 2HB ALA 661 -0.191 -15.734 1.691 120 3HB ALA 661 3HB ALA 661 1.334 -14.943 1.293 121 H ARG 662 H ARG 662 2.091 -12.953 1.110 122 HA ARG 662 HA ARG 662 2.632 -11.205 3.152 123 1HB ARG 662 1HB ARG 662 4.319 -10.175 1.551 124 2HB ARG 662 2HB ARG 662 4.439 -11.911 1.804 125 1HG ARG 662 1HG ARG 662 2.870 -11.957 -0.328 126 2HG ARG 662 2HG ARG 662 3.636 -10.392 -0.610 127 1HD ARG 662 1HD ARG 662 4.986 -13.065 -0.280 128 2HD ARG 662 2HD ARG 662 4.921 -12.070 -1.734 129 HE ARG 662 HE ARG 662 6.125 -10.595 0.327 130 1HH1 ARG 662 2HH1 ARG 662 6.750 -13.344 -1.716 131 2HH1 ARG 662 1HH1 ARG 662 8.470 -13.141 -1.684 132 1HH2 ARG 662 2HH2 ARG 662 8.388 -10.317 0.376 133 2HH2 ARG 662 1HH2 ARG 662 9.401 -11.419 -0.494 134 H MET 663 H MET 663 1.351 -10.390 -0.065 135 HA MET 663 HA MET 663 1.204 -7.622 0.289 136 1HB MET 663 1HB MET 663 -0.276 -9.563 -1.456 137 2HB MET 663 2HB MET 663 -0.730 -7.864 -1.437 138 1HG MET 663 1HG MET 663 1.764 -7.422 -1.900 139 2HG MET 663 2HG MET 663 1.819 -9.122 -2.359 140 1HE MET 663 1HE MET 663 2.608 -7.208 -4.915 141 2HE MET 663 2HE MET 663 1.354 -5.998 -5.186 142 3HE MET 663 3HE MET 663 2.156 -6.102 -3.618 143 H LYS 664 H LYS 664 -1.312 -10.094 0.782 144 HA LYS 664 HA LYS 664 -3.394 -8.487 1.591 145 1HB LYS 664 1HB LYS 664 -2.587 -11.290 2.179 146 2HB LYS 664 2HB LYS 664 -3.847 -10.584 3.183 147 1HG LYS 664 1HG LYS 664 -4.027 -10.447 0.201 148 2HG LYS 664 2HG LYS 664 -4.512 -11.904 1.072 149 1HD LYS 664 1HD LYS 664 -5.560 -9.202 1.848 150 2HD LYS 664 2HD LYS 664 -6.310 -10.138 0.553 151 1HE LYS 664 1HE LYS 664 -6.962 -11.843 2.002 152 2HE LYS 664 2HE LYS 664 -5.804 -11.362 3.241 153 1HZ LYS 664 1HZ LYS 664 -7.634 -9.263 2.695 154 2HZ LYS 664 2HZ LYS 664 -7.306 -10.039 4.161 155 3HZ LYS 664 3HZ LYS 664 -8.467 -10.677 3.108 156 H GLN 665 H GLN 665 -0.660 -9.652 3.494 157 HA GLN 665 HA GLN 665 -1.560 -8.773 6.010 158 1HB GLN 665 1HB GLN 665 1.215 -9.240 4.922 159 2HB GLN 665 2HB GLN 665 0.904 -8.814 6.599 160 1HG GLN 665 1HG GLN 665 -0.558 -11.128 5.456 161 2HG GLN 665 2HG GLN 665 1.158 -11.318 5.812 162 1HE2 GLN 665 1HE2 GLN 665 1.425 -12.292 7.678 163 2HE2 GLN 665 2HE2 GLN 665 0.510 -12.016 9.117 164 H PHE 666 H PHE 666 0.822 -7.256 3.828 165 HA PHE 666 HA PHE 666 1.209 -4.906 5.218 166 1HB PHE 666 1HB PHE 666 2.382 -5.754 3.094 167 2HB PHE 666 2HB PHE 666 1.074 -4.974 2.210 168 HD1 PHE 666 1HD PHE 666 4.062 -4.464 4.236 169 HD2 PHE 666 2HD PHE 666 0.868 -2.557 2.167 170 HE1 PHE 666 1HE PHE 666 5.270 -2.323 4.352 171 HE2 PHE 666 2HE PHE 666 2.071 -0.414 2.279 172 HZ PHE 666 HZ PHE 666 4.275 -0.294 3.371 173 H LYS 667 H LYS 667 -1.289 -5.654 2.821 174 HA LYS 667 HA LYS 667 -2.470 -3.069 2.849 175 1HB LYS 667 1HB LYS 667 -2.730 -4.746 1.011 176 2HB LYS 667 2HB LYS 667 -3.760 -5.692 2.077 177 1HG LYS 667 1HG LYS 667 -5.452 -4.073 2.064 178 2HG LYS 667 2HG LYS 667 -4.379 -2.835 1.407 179 1HD LYS 667 1HD LYS 667 -4.186 -4.388 -0.636 180 2HD LYS 667 2HD LYS 667 -5.617 -5.188 0.016 181 1HE LYS 667 1HE LYS 667 -6.344 -3.557 -1.571 182 2HE LYS 667 2HE LYS 667 -6.756 -2.968 0.039 183 1HZ LYS 667 1HZ LYS 667 -4.787 -1.561 -0.018 184 2HZ LYS 667 2HZ LYS 667 -5.815 -1.212 -1.315 185 3HZ LYS 667 3HZ LYS 667 -4.408 -2.117 -1.570 186 H ASP 668 H ASP 668 -3.094 -6.065 4.604 187 HA ASP 668 HA ASP 668 -5.506 -5.371 5.821 188 1HB ASP 668 1HB ASP 668 -4.444 -7.639 5.853 189 2HB ASP 668 2HB ASP 668 -3.304 -7.038 7.054 190 H MET 669 H MET 669 -2.171 -4.761 6.850 191 HA MET 669 HA MET 669 -2.903 -3.510 9.304 192 1HB MET 669 1HB MET 669 -0.513 -2.709 9.274 193 2HB MET 669 2HB MET 669 -0.721 -4.452 9.169 194 1HG MET 669 1HG MET 669 -0.309 -4.401 6.795 195 2HG MET 669 2HG MET 669 -0.227 -2.641 6.818 196 1HE MET 669 1HE MET 669 3.407 -2.362 6.586 197 2HE MET 669 2HE MET 669 1.837 -2.241 5.791 198 3HE MET 669 3HE MET 669 2.151 -1.328 7.268 199 H LEU 670 H LEU 670 -2.179 -2.356 6.054 200 HA LEU 670 HA LEU 670 -1.947 0.362 6.524 201 1HB LEU 670 1HB LEU 670 -2.979 -1.228 4.209 202 2HB LEU 670 2HB LEU 670 -3.037 0.534 4.176 203 HG LEU 670 HG LEU 670 -0.537 -1.133 4.463 204 1HD1 LEU 670 1HD1 LEU 670 -1.324 0.558 2.113 205 2HD1 LEU 670 2HD1 LEU 670 -1.760 -1.147 2.225 206 3HD1 LEU 670 3HD1 LEU 670 -0.062 -0.669 2.219 207 1HD2 LEU 670 1HD2 LEU 670 0.578 1.064 4.028 208 2HD2 LEU 670 2HD2 LEU 670 -0.231 0.946 5.590 209 3HD2 LEU 670 3HD2 LEU 670 -0.987 1.839 4.270 210 H LEU 671 H LEU 671 -4.890 -1.537 5.939 211 HA LEU 671 HA LEU 671 -6.627 0.723 6.218 212 1HB LEU 671 1HB LEU 671 -7.192 -1.257 4.861 213 2HB LEU 671 2HB LEU 671 -7.265 -2.222 6.334 214 HG LEU 671 HG LEU 671 -9.148 -0.777 7.103 215 1HD1 LEU 671 1HD1 LEU 671 -9.259 1.202 6.047 216 2HD1 LEU 671 2HD1 LEU 671 -10.209 0.305 4.863 217 3HD1 LEU 671 3HD1 LEU 671 -8.490 0.585 4.584 218 1HD2 LEU 671 1HD2 LEU 671 -9.174 -2.949 5.471 219 2HD2 LEU 671 2HD2 LEU 671 -10.123 -1.797 4.530 220 3HD2 LEU 671 3HD2 LEU 671 -10.610 -2.206 6.176 221 H GLU 672 H GLU 672 -5.925 -2.116 8.253 222 HA GLU 672 HA GLU 672 -7.553 -1.482 10.407 223 1HB GLU 672 1HB GLU 672 -5.057 -3.079 10.078 224 2HB GLU 672 2HB GLU 672 -5.592 -2.709 11.712 225 1HG GLU 672 1HG GLU 672 -7.223 -4.110 9.605 226 2HG GLU 672 2HG GLU 672 -6.400 -4.882 10.959 227 H ARG 673 H ARG 673 -4.031 -0.914 10.263 228 HA ARG 673 HA ARG 673 -3.714 0.596 12.511 229 1HB ARG 673 1HB ARG 673 -2.359 0.810 9.829 230 2HB ARG 673 2HB ARG 673 -1.864 1.789 11.204 231 1HG ARG 673 1HG ARG 673 -2.041 -1.178 11.476 232 2HG ARG 673 2HG ARG 673 -0.642 -0.438 10.697 233 1HD ARG 673 1HD ARG 673 0.095 -0.488 12.859 234 2HD ARG 673 2HD ARG 673 -0.689 1.091 12.844 235 HE ARG 673 HE ARG 673 -2.247 0.290 14.316 236 1HH1 ARG 673 2HH1 ARG 673 -0.543 -2.390 12.889 237 2HH1 ARG 673 1HH1 ARG 673 -1.257 -3.570 13.937 238 1HH2 ARG 673 2HH2 ARG 673 -3.194 -1.255 15.701 239 2HH2 ARG 673 1HH2 ARG 673 -2.766 -2.924 15.535 240 H GLY 674 H GLY 674 -5.330 1.502 9.593 241 1HA GLY 674 1HA GLY 674 -6.809 3.294 9.348 242 2HA GLY 674 2HA GLY 674 -6.175 3.990 10.832 243 H VAL 675 H VAL 675 -4.478 2.997 7.876 244 HA VAL 675 HA VAL 675 -2.897 5.361 7.843 245 HB VAL 675 HB VAL 675 -3.300 3.195 5.783 246 1HG1 VAL 675 1HG1 VAL 675 -2.388 4.540 4.268 247 2HG1 VAL 675 2HG1 VAL 675 -2.129 5.806 5.470 248 3HG1 VAL 675 3HG1 VAL 675 -0.916 4.546 5.239 249 1HG2 VAL 675 1HG2 VAL 675 -2.112 2.249 7.527 250 2HG2 VAL 675 2HG2 VAL 675 -0.821 2.834 6.478 251 3HG2 VAL 675 3HG2 VAL 675 -1.277 3.754 7.912 252 H SER 676 H SER 676 -3.789 7.284 7.442 253 HA SER 676 HA SER 676 -6.129 7.711 5.938 254 1HB SER 676 1HB SER 676 -3.927 9.572 6.832 255 2HB SER 676 2HB SER 676 -5.348 10.139 5.956 256 HG SER 676 HG SER 676 -5.271 10.012 8.444 257 H ALA 677 H ALA 677 -6.430 8.638 3.884 258 HA ALA 677 HA ALA 677 -4.485 7.788 1.930 259 1HB ALA 677 1HB ALA 677 -6.717 7.363 1.327 260 2HB ALA 677 2HB ALA 677 -7.224 9.004 1.726 261 3HB ALA 677 3HB ALA 677 -6.212 8.714 0.312 262 H PHE 678 H PHE 678 -6.036 10.890 2.763 263 HA PHE 678 HA PHE 678 -4.575 12.499 1.017 264 1HB PHE 678 1HB PHE 678 -5.702 13.231 3.728 265 2HB PHE 678 2HB PHE 678 -5.217 14.374 2.479 266 HD1 PHE 678 1HD PHE 678 -6.488 14.469 0.345 267 HD2 PHE 678 2HD PHE 678 -7.808 12.172 3.676 268 HE1 PHE 678 1HE PHE 678 -8.749 14.372 -0.622 269 HE2 PHE 678 2HE PHE 678 -10.071 12.071 2.714 270 HZ PHE 678 HZ PHE 678 -10.543 13.171 0.562 271 H SER 679 H SER 679 -3.520 10.806 3.739 272 HA SER 679 HA SER 679 -1.445 12.590 4.578 273 1HB SER 679 1HB SER 679 -2.239 9.782 5.215 274 2HB SER 679 2HB SER 679 -0.603 10.299 5.623 275 HG SER 679 HG SER 679 -1.374 11.513 7.166 276 H THR 680 H THR 680 0.884 11.687 4.635 277 HA THR 680 HA THR 680 1.577 10.915 1.885 278 HB THR 680 HB THR 680 2.581 13.003 2.429 279 HG1 THR 680 1HG THR 680 4.793 12.438 2.278 280 1HG2 THR 680 1HG2 THR 680 2.933 13.563 4.557 281 2HG2 THR 680 2HG2 THR 680 4.320 12.473 4.580 282 3HG2 THR 680 3HG2 THR 680 2.729 11.888 5.067 283 H TRP 681 H TRP 681 3.597 9.606 1.659 284 HA TRP 681 HA TRP 681 3.341 7.167 3.034 285 1HB TRP 681 1HB TRP 681 4.278 7.048 0.875 286 2HB TRP 681 2HB TRP 681 5.467 8.299 1.229 287 HD1 TRP 681 HD TRP 681 7.805 7.494 1.954 288 HE1 TRP 681 1HE TRP 681 8.837 5.221 2.580 289 HE3 TRP 681 3HE TRP 681 3.541 4.675 2.093 290 HZ2 TRP 681 2HZ TRP 681 7.961 2.582 3.068 291 HZ3 TRP 681 3HZ TRP 681 3.725 2.285 2.647 292 HH2 TRP 681 HH TRP 681 5.890 1.262 3.124 293 H GLU 682 H GLU 682 5.185 10.026 3.700 294 HA GLU 682 HA GLU 682 7.167 8.949 5.369 295 1HB GLU 682 1HB GLU 682 5.868 11.664 5.634 296 2HB GLU 682 2HB GLU 682 7.457 11.194 6.221 297 1HG GLU 682 1HG GLU 682 8.354 11.100 4.064 298 2HG GLU 682 2HG GLU 682 6.762 11.078 3.309 299 H LYS 683 H LYS 683 4.183 10.637 6.362 300 HA LYS 683 HA LYS 683 4.307 10.052 9.064 301 1HB LYS 683 1HB LYS 683 2.050 10.640 7.187 302 2HB LYS 683 2HB LYS 683 1.693 10.169 8.844 303 1HG LYS 683 1HG LYS 683 3.086 12.036 9.646 304 2HG LYS 683 2HG LYS 683 3.352 12.527 7.972 305 1HD LYS 683 1HD LYS 683 0.827 12.663 7.761 306 2HD LYS 683 2HD LYS 683 0.769 12.506 9.518 307 1HE LYS 683 1HE LYS 683 0.706 14.818 9.107 308 2HE LYS 683 2HE LYS 683 2.369 14.483 9.589 309 1HZ LYS 683 1HZ LYS 683 1.729 15.888 7.432 310 2HZ LYS 683 2HZ LYS 683 1.814 14.348 6.740 311 3HZ LYS 683 3HZ LYS 683 3.154 14.984 7.554 312 H GLU 684 H GLU 684 2.360 8.307 6.632 313 HA GLU 684 HA GLU 684 1.518 6.232 8.274 314 1HB GLU 684 1HB GLU 684 2.147 5.932 5.338 315 2HB GLU 684 2HB GLU 684 0.967 5.031 6.278 316 1HG GLU 684 1HG GLU 684 0.835 7.947 5.551 317 2HG GLU 684 2HG GLU 684 -0.147 6.645 4.883 318 H LEU 685 H LEU 685 4.408 6.432 6.224 319 HA LEU 685 HA LEU 685 5.442 3.922 6.455 320 1HB LEU 685 1HB LEU 685 6.655 5.386 5.128 321 2HB LEU 685 2HB LEU 685 6.732 6.617 6.387 322 HG LEU 685 HG LEU 685 8.251 4.899 7.612 323 1HD1 LEU 685 1HD1 LEU 685 7.900 3.688 4.967 324 2HD1 LEU 685 2HD1 LEU 685 8.414 2.966 6.491 325 3HD1 LEU 685 3HD1 LEU 685 9.577 3.838 5.492 326 1HD2 LEU 685 1HD2 LEU 685 8.857 7.131 6.572 327 2HD2 LEU 685 2HD2 LEU 685 9.379 6.218 5.156 328 3HD2 LEU 685 3HD2 LEU 685 10.160 5.951 6.716 329 H HIS 686 H HIS 686 6.071 6.584 8.744 330 HA HIS 686 HA HIS 686 7.493 5.013 10.601 331 1HB HIS 686 1HB HIS 686 7.551 6.898 11.942 332 2HB HIS 686 2HB HIS 686 7.270 7.616 10.358 333 HD1 HIS 686 1HD HIS 686 5.486 9.315 10.359 334 HD2 HIS 686 2HD HIS 686 4.884 6.457 13.314 335 HE1 HIS 686 1HE HIS 686 3.412 10.040 11.584 336 H LYS 687 H LYS 687 4.086 5.628 10.140 337 HA LYS 687 HA LYS 687 3.206 4.663 12.662 338 1HB LYS 687 1HB LYS 687 1.840 5.067 10.009 339 2HB LYS 687 2HB LYS 687 0.991 4.386 11.391 340 1HG LYS 687 1HG LYS 687 1.579 6.432 12.678 341 2HG LYS 687 2HG LYS 687 2.249 7.113 11.194 342 1HD LYS 687 1HD LYS 687 0.035 6.829 10.118 343 2HD LYS 687 2HD LYS 687 -0.610 6.268 11.662 344 1HE LYS 687 1HE LYS 687 0.780 8.915 11.428 345 2HE LYS 687 2HE LYS 687 -0.925 8.744 11.013 346 1HZ LYS 687 1HZ LYS 687 -0.928 9.369 13.238 347 2HZ LYS 687 2HZ LYS 687 0.373 8.365 13.639 348 3HZ LYS 687 3HZ LYS 687 -1.144 7.693 13.308 349 H ILE 688 H ILE 688 4.233 3.125 9.757 350 HA ILE 688 HA ILE 688 3.320 0.528 10.813 351 HB ILE 688 HB ILE 688 3.392 -0.322 8.496 352 1HG1 ILE 688 1HG1 ILE 688 3.504 2.492 7.484 353 2HG1 ILE 688 2HG1 ILE 688 5.008 1.656 7.852 354 1HG2 ILE 688 1HG2 ILE 688 1.545 1.728 9.480 355 2HG2 ILE 688 2HG2 ILE 688 1.493 1.474 7.736 356 3HG2 ILE 688 3HG2 ILE 688 1.219 0.120 8.833 357 1HD1 ILE 688 1HD1 ILE 688 3.147 0.103 6.222 358 2HD1 ILE 688 2HD1 ILE 688 3.726 1.587 5.464 359 3HD1 ILE 688 3HD1 ILE 688 4.878 0.377 6.029 360 H VAL 689 H VAL 689 5.941 2.379 10.697 361 HA VAL 689 HA VAL 689 7.928 0.669 9.596 362 HB VAL 689 HB VAL 689 8.154 3.162 10.024 363 1HG1 VAL 689 1HG1 VAL 689 7.467 2.590 12.561 364 2HG1 VAL 689 2HG1 VAL 689 9.225 2.594 12.714 365 3HG1 VAL 689 3HG1 VAL 689 8.388 4.021 12.100 366 1HG2 VAL 689 1HG2 VAL 689 10.105 2.170 9.295 367 2HG2 VAL 689 2HG2 VAL 689 10.607 2.828 10.852 368 3HG2 VAL 689 3HG2 VAL 689 10.221 1.114 10.703 369 H PHE 690 H PHE 690 6.367 0.887 12.694 370 HA PHE 690 HA PHE 690 8.322 -0.802 14.008 371 1HB PHE 690 1HB PHE 690 6.730 -0.644 15.946 372 2HB PHE 690 2HB PHE 690 7.329 0.907 15.367 373 HD1 PHE 690 1HD PHE 690 4.462 -1.421 14.860 374 HD2 PHE 690 2HD PHE 690 5.821 2.608 15.037 375 HE1 PHE 690 1HE PHE 690 2.146 -0.632 14.600 376 HE2 PHE 690 2HE PHE 690 3.507 3.404 14.778 377 HZ PHE 690 HZ PHE 690 1.666 1.783 14.560 378 H ASP 691 H ASP 691 6.075 -1.434 11.790 379 HA ASP 691 HA ASP 691 4.979 -3.835 13.045 380 1HB ASP 691 1HB ASP 691 3.593 -2.204 11.630 381 2HB ASP 691 2HB ASP 691 4.427 -2.889 10.237 382 HA PRO 692 HA PRO 692 8.005 -6.474 11.230 383 1HB PRO 692 1HB PRO 692 6.638 -8.815 11.383 384 2HB PRO 692 2HB PRO 692 7.358 -8.028 12.793 385 1HG PRO 692 1HG PRO 692 4.518 -7.991 11.846 386 2HG PRO 692 2HG PRO 692 5.145 -8.174 13.495 387 1HD PRO 692 1HD PRO 692 4.182 -5.824 12.556 388 2HD PRO 692 2HD PRO 692 5.494 -5.910 13.749 389 H ARG 693 H ARG 693 4.672 -6.551 10.057 390 HA ARG 693 HA ARG 693 5.203 -7.990 7.676 391 1HB ARG 693 1HB ARG 693 2.960 -6.073 8.336 392 2HB ARG 693 2HB ARG 693 2.996 -7.137 6.937 393 1HG ARG 693 1HG ARG 693 2.728 -9.052 8.229 394 2HG ARG 693 2HG ARG 693 3.232 -8.236 9.710 395 1HD ARG 693 1HD ARG 693 0.785 -7.317 8.263 396 2HD ARG 693 2HD ARG 693 0.709 -8.750 9.288 397 HE ARG 693 HE ARG 693 0.753 -6.061 10.158 398 1HH1 ARG 693 2HH1 ARG 693 2.001 -9.212 10.956 399 2HH1 ARG 693 1HH1 ARG 693 2.131 -8.875 12.651 400 1HH2 ARG 693 2HH2 ARG 693 0.920 -5.606 12.387 401 2HH2 ARG 693 1HH2 ARG 693 1.515 -6.824 13.463 402 H TYR 694 H TYR 694 5.765 -4.744 8.609 403 HA TYR 694 HA TYR 694 5.639 -3.482 6.086 404 1HB TYR 694 1HB TYR 694 5.643 -2.015 7.908 405 2HB TYR 694 2HB TYR 694 6.997 -2.828 8.684 406 HD1 TYR 694 1HD TYR 694 9.038 -1.760 8.635 407 HD2 TYR 694 2HD TYR 694 6.256 -0.994 5.509 408 HE1 TYR 694 1HE TYR 694 10.588 -0.113 7.669 409 HE2 TYR 694 2HE TYR 694 7.799 0.655 4.533 410 HH TYR 694 HH TYR 694 10.984 1.272 5.976 411 H LEU 695 H LEU 695 7.857 -5.696 7.412 412 HA LEU 695 HA LEU 695 9.864 -4.998 5.371 413 1HB LEU 695 1HB LEU 695 10.301 -6.653 7.848 414 2HB LEU 695 2HB LEU 695 11.527 -6.042 6.739 415 HG LEU 695 HG LEU 695 9.793 -4.188 8.344 416 1HD1 LEU 695 1HD1 LEU 695 10.901 -5.753 9.889 417 2HD1 LEU 695 2HD1 LEU 695 11.511 -4.105 10.040 418 3HD1 LEU 695 3HD1 LEU 695 12.458 -5.320 9.182 419 1HD2 LEU 695 1HD2 LEU 695 11.167 -3.419 6.356 420 2HD2 LEU 695 2HD2 LEU 695 12.594 -3.804 7.319 421 3HD2 LEU 695 3HD2 LEU 695 11.453 -2.581 7.881 422 H LEU 696 H LEU 696 7.349 -6.780 5.373 423 HA LEU 696 HA LEU 696 8.559 -9.351 4.688 424 1HB LEU 696 1HB LEU 696 5.733 -8.439 5.123 425 2HB LEU 696 2HB LEU 696 6.101 -10.000 4.392 426 HG LEU 696 HG LEU 696 6.960 -9.131 7.151 427 1HD1 LEU 696 1HD1 LEU 696 4.998 -11.305 6.682 428 2HD1 LEU 696 2HD1 LEU 696 4.436 -9.641 6.533 429 3HD1 LEU 696 3HD1 LEU 696 5.158 -10.195 8.043 430 1HD2 LEU 696 1HD2 LEU 696 8.527 -10.705 6.538 431 2HD2 LEU 696 2HD2 LEU 696 7.398 -11.587 5.509 432 3HD2 LEU 696 3HD2 LEU 696 7.276 -11.715 7.264 433 H LEU 697 H LEU 697 7.333 -6.515 3.219 434 HA LEU 697 HA LEU 697 7.268 -7.861 0.599 435 1HB LEU 697 1HB LEU 697 5.738 -5.535 1.696 436 2HB LEU 697 2HB LEU 697 5.980 -5.702 -0.042 437 HG LEU 697 HG LEU 697 4.684 -7.823 1.661 438 1HD1 LEU 697 1HD1 LEU 697 3.026 -6.184 -0.134 439 2HD1 LEU 697 2HD1 LEU 697 3.601 -5.378 1.325 440 3HD1 LEU 697 3HD1 LEU 697 2.660 -6.864 1.452 441 1HD2 LEU 697 1HD2 LEU 697 3.743 -8.391 -0.657 442 2HD2 LEU 697 2HD2 LEU 697 5.423 -8.807 -0.321 443 3HD2 LEU 697 3HD2 LEU 697 5.044 -7.378 -1.283 444 H ASN 698 H ASN 698 8.298 -6.877 -1.157 445 HA ASN 698 HA ASN 698 10.763 -5.736 -0.735 446 1HB ASN 698 1HB ASN 698 8.935 -5.927 -3.073 447 2HB ASN 698 2HB ASN 698 10.274 -4.789 -3.194 448 1HD2 ASN 698 1HD2 ASN 698 10.214 -6.822 -4.925 449 2HD2 ASN 698 2HD2 ASN 698 11.425 -7.995 -4.546 450 HA PRO 699 HA PRO 699 10.272 -1.458 0.105 451 1HB PRO 699 1HB PRO 699 12.240 -0.324 -1.382 452 2HB PRO 699 2HB PRO 699 12.563 -1.278 0.071 453 1HG PRO 699 1HG PRO 699 12.715 -2.097 -2.804 454 2HG PRO 699 2HG PRO 699 13.836 -2.456 -1.478 455 1HD PRO 699 1HD PRO 699 12.000 -4.241 -2.358 456 2HD PRO 699 2HD PRO 699 12.521 -4.165 -0.663 457 H LYS 700 H LYS 700 10.473 -2.305 -3.318 458 HA LYS 700 HA LYS 700 9.406 0.162 -4.271 459 1HB LYS 700 1HB LYS 700 9.689 -2.555 -5.558 460 2HB LYS 700 2HB LYS 700 9.080 -1.141 -6.407 461 1HG LYS 700 1HG LYS 700 11.145 -0.046 -6.303 462 2HG LYS 700 2HG LYS 700 11.755 -1.134 -5.053 463 1HD LYS 700 1HD LYS 700 12.823 -1.979 -6.900 464 2HD LYS 700 2HD LYS 700 11.355 -2.958 -6.906 465 1HE LYS 700 1HE LYS 700 10.354 -1.508 -8.562 466 2HE LYS 700 2HE LYS 700 11.741 -0.423 -8.494 467 1HZ LYS 700 1HZ LYS 700 11.892 -3.264 -9.340 468 2HZ LYS 700 2HZ LYS 700 13.129 -2.113 -9.419 469 3HZ LYS 700 3HZ LYS 700 11.767 -1.960 -10.411 470 H GLU 701 H GLU 701 8.028 -3.056 -3.686 471 HA GLU 701 HA GLU 701 5.450 -2.570 -4.628 472 1HB GLU 701 1HB GLU 701 6.500 -4.412 -2.489 473 2HB GLU 701 2HB GLU 701 4.797 -4.368 -2.921 474 1HG GLU 701 1HG GLU 701 7.063 -4.991 -4.800 475 2HG GLU 701 2HG GLU 701 5.989 -6.172 -4.054 476 H ARG 702 H ARG 702 6.671 -2.309 -1.288 477 HA ARG 702 HA ARG 702 4.554 -1.574 0.150 478 1HB ARG 702 1HB ARG 702 7.311 -0.390 0.105 479 2HB ARG 702 2HB ARG 702 6.099 0.227 1.220 480 1HG ARG 702 1HG ARG 702 6.067 -1.690 2.469 481 2HG ARG 702 2HG ARG 702 6.589 -2.705 1.123 482 1HD ARG 702 1HD ARG 702 8.217 -2.086 3.112 483 2HD ARG 702 2HD ARG 702 8.797 -2.249 1.456 484 HE ARG 702 HE ARG 702 8.009 0.418 1.964 485 1HH1 ARG 702 2HH1 ARG 702 10.534 -1.871 2.669 486 2HH1 ARG 702 1HH1 ARG 702 11.753 -0.659 2.882 487 1HH2 ARG 702 2HH2 ARG 702 9.605 2.024 2.242 488 2HH2 ARG 702 1HH2 ARG 702 11.223 1.557 2.639 489 H LYS 703 H LYS 703 6.273 0.656 -2.021 490 HA LYS 703 HA LYS 703 4.497 2.835 -1.554 491 1HB LYS 703 1HB LYS 703 6.896 2.949 -2.416 492 2HB LYS 703 2HB LYS 703 6.250 2.471 -3.980 493 1HG LYS 703 1HG LYS 703 5.044 4.807 -2.586 494 2HG LYS 703 2HG LYS 703 6.611 4.994 -3.377 495 1HD LYS 703 1HD LYS 703 5.470 3.903 -5.414 496 2HD LYS 703 2HD LYS 703 3.958 4.288 -4.588 497 1HE LYS 703 1HE LYS 703 4.442 6.617 -4.619 498 2HE LYS 703 2HE LYS 703 6.100 6.330 -5.146 499 1HZ LYS 703 1HZ LYS 703 4.838 7.036 -7.016 500 2HZ LYS 703 2HZ LYS 703 3.622 5.899 -6.719 501 3HZ LYS 703 3HZ LYS 703 5.153 5.387 -7.223 502 H GLN 704 H GLN 704 4.817 0.443 -4.156 503 HA GLN 704 HA GLN 704 2.823 1.419 -5.843 504 1HB GLN 704 1HB GLN 704 4.073 -1.257 -5.409 505 2HB GLN 704 2HB GLN 704 2.633 -1.158 -6.413 506 1HG GLN 704 1HG GLN 704 5.091 0.506 -6.879 507 2HG GLN 704 2HG GLN 704 4.815 -1.062 -7.635 508 1HE2 GLN 704 1HE2 GLN 704 4.607 2.144 -8.130 509 2HE2 GLN 704 2HE2 GLN 704 3.359 2.190 -9.323 510 H VAL 705 H VAL 705 2.539 -1.256 -3.496 511 HA VAL 705 HA VAL 705 -0.207 -1.626 -3.705 512 HB VAL 705 HB VAL 705 1.541 -2.023 -1.272 513 1HG1 VAL 705 1HG1 VAL 705 -0.835 -3.704 -1.611 514 2HG1 VAL 705 2HG1 VAL 705 -0.188 -2.927 -0.164 515 3HG1 VAL 705 3HG1 VAL 705 -1.183 -2.005 -1.293 516 1HG2 VAL 705 1HG2 VAL 705 1.099 -3.549 -3.747 517 2HG2 VAL 705 2HG2 VAL 705 2.476 -3.546 -2.645 518 3HG2 VAL 705 3HG2 VAL 705 1.038 -4.492 -2.258 519 H PHE 706 H PHE 706 1.595 0.425 -1.425 520 HA PHE 706 HA PHE 706 -0.563 1.392 0.038 521 1HB PHE 706 1HB PHE 706 1.547 1.888 0.922 522 2HB PHE 706 2HB PHE 706 2.144 2.520 -0.609 523 HD1 PHE 706 1HD PHE 706 2.087 4.803 -1.053 524 HD2 PHE 706 2HD PHE 706 -0.239 3.227 2.144 525 HE1 PHE 706 1HE PHE 706 1.550 7.090 -0.320 526 HE2 PHE 706 2HE PHE 706 -0.780 5.511 2.882 527 HZ PHE 706 HZ PHE 706 0.114 7.446 1.649 528 H ASP 707 H ASP 707 0.873 2.627 -2.955 529 HA ASP 707 HA ASP 707 -0.594 4.970 -3.221 530 1HB ASP 707 1HB ASP 707 1.337 4.206 -4.660 531 2HB ASP 707 2HB ASP 707 0.196 3.171 -5.515 532 H GLN 708 H GLN 708 -1.355 1.755 -4.559 533 HA GLN 708 HA GLN 708 -3.807 2.425 -5.708 534 1HB GLN 708 1HB GLN 708 -2.929 -0.221 -4.537 535 2HB GLN 708 2HB GLN 708 -4.309 0.005 -5.604 536 1HG GLN 708 1HG GLN 708 -1.505 0.735 -6.391 537 2HG GLN 708 2HG GLN 708 -2.198 -0.862 -6.668 538 1HE2 GLN 708 1HE2 GLN 708 -1.356 0.385 -8.827 539 2HE2 GLN 708 2HE2 GLN 708 -2.665 1.014 -9.762 540 H TYR 709 H TYR 709 -3.010 1.413 -2.426 541 HA TYR 709 HA TYR 709 -5.636 1.048 -1.491 542 1HB TYR 709 1HB TYR 709 -3.904 0.171 -0.147 543 2HB TYR 709 2HB TYR 709 -3.040 1.705 -0.111 544 HD1 TYR 709 1HD TYR 709 -5.532 -0.350 1.485 545 HD2 TYR 709 2HD TYR 709 -3.996 3.609 1.226 546 HE1 TYR 709 1HE TYR 709 -6.624 0.206 3.618 547 HE2 TYR 709 2HE TYR 709 -5.083 4.176 3.358 548 HH TYR 709 HH TYR 709 -5.859 2.745 5.467 549 H VAL 710 H VAL 710 -3.531 3.894 -1.540 550 HA VAL 710 HA VAL 710 -5.295 5.603 -0.128 551 HB VAL 710 HB VAL 710 -3.105 6.309 -2.087 552 1HG1 VAL 710 1HG1 VAL 710 -5.050 7.991 -1.276 553 2HG1 VAL 710 2HG1 VAL 710 -3.883 8.202 0.032 554 3HG1 VAL 710 3HG1 VAL 710 -3.401 8.499 -1.639 555 1HG2 VAL 710 1HG2 VAL 710 -3.134 5.529 0.752 556 2HG2 VAL 710 2HG2 VAL 710 -1.851 5.393 -0.451 557 3HG2 VAL 710 3HG2 VAL 710 -2.143 6.933 0.357 558 H LYS 711 H LYS 711 -4.782 4.975 -3.571 559 HA LYS 711 HA LYS 711 -6.443 6.971 -4.606 560 1HB LYS 711 1HB LYS 711 -4.819 5.397 -5.833 561 2HB LYS 711 2HB LYS 711 -6.151 4.249 -5.860 562 1HG LYS 711 1HG LYS 711 -7.492 5.720 -7.170 563 2HG LYS 711 2HG LYS 711 -6.333 7.036 -6.977 564 1HD LYS 711 1HD LYS 711 -4.698 5.868 -8.290 565 2HD LYS 711 2HD LYS 711 -5.709 4.422 -8.345 566 1HE LYS 711 1HE LYS 711 -6.066 5.416 -10.420 567 2HE LYS 711 2HE LYS 711 -7.454 5.941 -9.468 568 1HZ LYS 711 1HZ LYS 711 -6.537 7.782 -10.698 569 2HZ LYS 711 2HZ LYS 711 -5.008 7.532 -10.021 570 3HZ LYS 711 3HZ LYS 711 -6.292 8.037 -9.043 571 H THR 712 H THR 712 -7.177 3.712 -3.475 572 HA THR 712 HA THR 712 -9.915 3.775 -4.296 573 HB THR 712 HB THR 712 -10.130 1.788 -2.730 574 HG1 THR 712 1HG THR 712 -8.454 1.237 -1.539 575 1HG2 THR 712 1HG2 THR 712 -9.346 1.869 -5.256 576 2HG2 THR 712 2HG2 THR 712 -9.329 0.362 -4.338 577 3HG2 THR 712 3HG2 THR 712 -7.838 1.276 -4.561 578 H ARG 713 H ARG 713 -8.198 4.396 -1.269 579 HA ARG 713 HA ARG 713 -10.494 4.709 0.350 580 1HB ARG 713 1HB ARG 713 -7.606 5.389 0.588 581 2HB ARG 713 2HB ARG 713 -8.724 6.198 1.677 582 1HG ARG 713 1HG ARG 713 -8.731 3.218 1.371 583 2HG ARG 713 2HG ARG 713 -7.615 4.034 2.468 584 1HD ARG 713 1HD ARG 713 -9.366 3.615 3.886 585 2HD ARG 713 2HD ARG 713 -9.801 5.221 3.301 586 HE ARG 713 HE ARG 713 -10.968 3.336 1.604 587 1HH1 ARG 713 2HH1 ARG 713 -11.196 4.410 4.908 588 2HH1 ARG 713 1HH1 ARG 713 -12.872 3.996 5.064 589 1HH2 ARG 713 2HH2 ARG 713 -13.174 2.786 1.797 590 2HH2 ARG 713 1HH2 ARG 713 -13.995 3.072 3.294 591 H ALA 714 H ALA 714 -8.868 6.805 -1.880 592 HA ALA 714 HA ALA 714 -10.262 9.172 -0.904 593 1HB ALA 714 1HB ALA 714 -8.348 10.087 -1.586 594 2HB ALA 714 2HB ALA 714 -7.910 8.662 -2.530 595 3HB ALA 714 3HB ALA 714 -8.961 9.894 -3.229 596 H GLU 715 H GLU 715 -10.038 7.259 -3.899 597 HA GLU 715 HA GLU 715 -11.892 8.644 -5.423 598 1HB GLU 715 1HB GLU 715 -12.028 6.721 -6.812 599 2HB GLU 715 2HB GLU 715 -10.389 6.760 -6.176 600 1HG GLU 715 1HG GLU 715 -10.931 4.545 -5.941 601 2HG GLU 715 2HG GLU 715 -11.337 5.182 -4.348 602 H GLU 716 H GLU 716 -12.394 6.249 -2.908 603 HA GLU 716 HA GLU 716 -15.035 5.562 -3.321 604 1HB GLU 716 1HB GLU 716 -13.273 4.887 -1.459 605 2HB GLU 716 2HB GLU 716 -14.138 6.101 -0.528 606 1HG GLU 716 1HG GLU 716 -15.215 3.564 -1.714 607 2HG GLU 716 2HG GLU 716 -15.122 4.022 -0.014 608 H GLU 717 H GLU 717 -13.746 8.610 -2.503 609 HA GLU 717 HA GLU 717 -16.401 9.587 -1.688 610 1HB GLU 717 1HB GLU 717 -14.376 9.899 -0.146 611 2HB GLU 717 2HB GLU 717 -13.810 11.076 -1.323 612 1HG GLU 717 1HG GLU 717 -16.213 12.081 -0.993 613 2HG GLU 717 2HG GLU 717 -16.121 11.214 0.540 614 H ARG 718 H ARG 718 -17.215 11.504 -2.611 615 HA ARG 718 HA ARG 718 -17.270 11.815 -5.256 616 1HB ARG 718 1HB ARG 718 -17.377 13.908 -3.107 617 2HB ARG 718 2HB ARG 718 -17.530 14.362 -4.799 618 1HG ARG 718 1HG ARG 718 -19.266 12.216 -3.656 619 2HG ARG 718 2HG ARG 718 -19.657 13.918 -3.400 620 1HD ARG 718 1HD ARG 718 -20.829 13.489 -5.327 621 2HD ARG 718 2HD ARG 718 -19.303 14.074 -5.989 622 HE ARG 718 HE ARG 718 -19.051 12.037 -6.965 623 1HH1 ARG 718 2HH1 ARG 718 -21.095 11.661 -4.172 624 2HH1 ARG 718 1HH1 ARG 718 -21.373 9.972 -4.440 625 1HH2 ARG 718 2HH2 ARG 718 -19.409 9.814 -7.329 626 2HH2 ARG 718 1HH2 ARG 718 -20.413 8.922 -6.236 627 H ARG 719 H ARG 719 -14.902 13.510 -3.202 628 HA ARG 719 HA ARG 719 -13.500 14.877 -5.131 629 1HB ARG 719 1HB ARG 719 -12.351 13.498 -2.697 630 2HB ARG 719 2HB ARG 719 -11.567 14.779 -3.611 631 1HG ARG 719 1HG ARG 719 -13.694 16.145 -3.056 632 2HG ARG 719 2HG ARG 719 -13.934 14.931 -1.797 633 1HD ARG 719 1HD ARG 719 -11.400 15.470 -1.289 634 2HD ARG 719 2HD ARG 719 -11.806 16.993 -2.079 635 HE ARG 719 HE ARG 719 -13.789 16.723 -0.281 636 1HH1 ARG 719 2HH1 ARG 719 -10.326 16.486 -0.016 637 2HH1 ARG 719 1HH1 ARG 719 -10.283 17.038 1.626 638 1HH2 ARG 719 2HH2 ARG 719 -13.746 17.451 1.881 639 2HH2 ARG 719 1HH2 ARG 719 -12.229 17.586 2.704 640 H SER 720 H SER 720 -13.075 13.916 -7.051 641 HA SER 720 HA SER 720 -10.838 12.221 -7.287 642 1HB SER 720 1HB SER 720 -11.810 10.152 -7.996 643 2HB SER 720 2HB SER 720 -12.571 10.570 -6.461 644 HG SER 720 HG SER 720 -14.151 11.662 -8.087 645 H GLY 721 H GLY 721 -9.955 12.887 -9.122 646 1HA GLY 721 1HA GLY 721 -11.733 13.845 -11.267 647 2HA GLY 721 2HA GLY 721 -10.067 14.352 -11.032 648 HA PRO 722 HA PRO 722 -10.553 10.702 -14.082 649 1HB PRO 722 1HB PRO 722 -10.421 12.071 -16.422 650 2HB PRO 722 2HB PRO 722 -11.947 11.697 -15.613 651 1HG PRO 722 1HG PRO 722 -10.367 14.240 -15.595 652 2HG PRO 722 2HG PRO 722 -12.118 14.012 -15.752 653 1HD PRO 722 1HD PRO 722 -10.946 14.728 -13.419 654 2HD PRO 722 2HD PRO 722 -12.412 13.729 -13.484 655 H SER 723 H SER 723 -8.598 9.793 -14.062 656 HA SER 723 HA SER 723 -6.197 11.383 -14.319 657 1HB SER 723 1HB SER 723 -5.030 9.213 -13.960 658 2HB SER 723 2HB SER 723 -6.210 9.572 -12.700 659 HG SER 723 HG SER 723 -6.111 7.477 -14.395 660 H SER 724 H SER 724 -6.467 12.138 -16.481 661 HA SER 724 HA SER 724 -6.456 12.002 -18.784 662 1HB SER 724 1HB SER 724 -4.047 11.828 -17.925 663 2HB SER 724 2HB SER 724 -4.157 10.109 -18.303 664 HG SER 724 HG SER 724 -4.439 10.603 -20.442 665 H GLY 725 H GLY 725 -8.371 10.244 -17.832 666 1HA GLY 725 1HA GLY 725 -8.126 8.056 -19.794 667 2HA GLY 725 2HA GLY 725 -8.701 7.732 -18.165 Start of MODEL 5 1 1H GLY 644 H GLY 644 -15.145 -4.162 8.981 2 1HA GLY 644 1HA GLY 644 -15.374 -6.419 7.935 3 2HA GLY 644 2HA GLY 644 -15.104 -5.605 6.401 4 H SER 645 H SER 645 -13.284 -6.808 5.885 5 HA SER 645 HA SER 645 -11.061 -7.281 5.780 6 1HB SER 645 1HB SER 645 -11.066 -4.713 7.330 7 2HB SER 645 2HB SER 645 -9.558 -5.604 7.122 8 HG SER 645 HG SER 645 -11.148 -5.149 4.869 9 H SER 646 H SER 646 -12.371 -8.924 7.414 10 HA SER 646 HA SER 646 -11.129 -9.005 10.028 11 1HB SER 646 1HB SER 646 -13.020 -10.935 8.662 12 2HB SER 646 2HB SER 646 -12.484 -11.062 10.337 13 HG SER 646 HG SER 646 -13.646 -8.669 9.451 14 H GLY 647 H GLY 647 -9.587 -10.433 10.724 15 1HA GLY 647 1HA GLY 647 -8.732 -12.764 9.506 16 2HA GLY 647 2HA GLY 647 -7.799 -11.471 8.767 17 H SER 648 H SER 648 -7.982 -13.623 11.335 18 HA SER 648 HA SER 648 -6.009 -12.076 12.884 19 1HB SER 648 1HB SER 648 -7.854 -14.281 13.836 20 2HB SER 648 2HB SER 648 -6.682 -13.422 14.836 21 HG SER 648 HG SER 648 -9.023 -12.697 14.748 22 H SER 649 H SER 649 -6.869 -15.348 11.808 23 HA SER 649 HA SER 649 -4.179 -16.001 11.174 24 1HB SER 649 1HB SER 649 -3.651 -17.590 12.862 25 2HB SER 649 2HB SER 649 -4.212 -16.156 13.720 26 HG SER 649 HG SER 649 -5.223 -17.950 14.591 27 H GLY 650 H GLY 650 -4.035 -18.526 10.834 28 1HA GLY 650 1HA GLY 650 -6.494 -19.867 10.237 29 2HA GLY 650 2HA GLY 650 -5.721 -19.239 8.789 30 H ALA 651 H ALA 651 -6.122 -21.968 10.420 31 HA ALA 651 HA ALA 651 -3.815 -23.210 11.029 32 1HB ALA 651 1HB ALA 651 -5.395 -24.783 11.177 33 2HB ALA 651 2HB ALA 651 -6.345 -24.084 9.865 34 3HB ALA 651 3HB ALA 651 -4.990 -25.153 9.501 35 H ARG 652 H ARG 652 -1.945 -23.735 10.082 36 HA ARG 652 HA ARG 652 -1.789 -23.657 7.145 37 1HB ARG 652 1HB ARG 652 0.268 -22.467 7.203 38 2HB ARG 652 2HB ARG 652 -0.844 -21.592 8.247 39 1HG ARG 652 1HG ARG 652 0.186 -22.691 10.205 40 2HG ARG 652 2HG ARG 652 1.349 -23.459 9.122 41 1HD ARG 652 1HD ARG 652 2.363 -21.426 8.579 42 2HD ARG 652 2HD ARG 652 0.986 -20.484 9.149 43 HE ARG 652 HE ARG 652 1.876 -21.724 11.389 44 1HH1 ARG 652 2HH1 ARG 652 3.400 -19.753 8.957 45 2HH1 ARG 652 1HH1 ARG 652 4.580 -19.096 10.042 46 1HH2 ARG 652 2HH2 ARG 652 3.425 -20.866 12.828 47 2HH2 ARG 652 1HH2 ARG 652 4.594 -19.731 12.244 48 H GLU 653 H GLU 653 -0.210 -25.010 6.193 49 HA GLU 653 HA GLU 653 0.697 -27.180 7.966 50 1HB GLU 653 1HB GLU 653 -0.211 -27.181 5.099 51 2HB GLU 653 2HB GLU 653 0.773 -28.489 5.741 52 1HG GLU 653 1HG GLU 653 -0.901 -29.061 7.340 53 2HG GLU 653 2HG GLU 653 -1.848 -27.630 6.936 54 H ARG 654 H ARG 654 1.574 -25.694 4.840 55 HA ARG 654 HA ARG 654 4.401 -26.130 5.527 56 1HB ARG 654 1HB ARG 654 2.900 -26.082 2.948 57 2HB ARG 654 2HB ARG 654 4.584 -25.574 2.944 58 1HG ARG 654 1HG ARG 654 4.503 -27.884 2.376 59 2HG ARG 654 2HG ARG 654 5.175 -27.747 4.002 60 1HD ARG 654 1HD ARG 654 3.133 -28.438 4.996 61 2HD ARG 654 2HD ARG 654 2.262 -28.281 3.472 62 HE ARG 654 HE ARG 654 3.839 -30.514 4.341 63 1HH1 ARG 654 2HH1 ARG 654 2.607 -28.799 1.573 64 2HH1 ARG 654 1HH1 ARG 654 2.677 -30.176 0.525 65 1HH2 ARG 654 2HH2 ARG 654 3.937 -32.335 2.970 66 2HH2 ARG 654 1HH2 ARG 654 3.433 -32.187 1.320 67 H ALA 655 H ALA 655 5.936 -24.467 4.896 68 HA ALA 655 HA ALA 655 4.935 -21.833 5.545 69 1HB ALA 655 1HB ALA 655 7.482 -21.314 5.199 70 2HB ALA 655 2HB ALA 655 6.925 -22.180 6.632 71 3HB ALA 655 3HB ALA 655 7.633 -23.069 5.283 72 H ILE 656 H ILE 656 3.647 -21.535 3.612 73 HA ILE 656 HA ILE 656 5.279 -20.761 1.282 74 HB ILE 656 HB ILE 656 2.439 -21.788 1.272 75 1HG1 ILE 656 1HG1 ILE 656 4.894 -23.058 0.057 76 2HG1 ILE 656 2HG1 ILE 656 4.307 -23.462 1.667 77 1HG2 ILE 656 1HG2 ILE 656 3.898 -21.560 -1.259 78 2HG2 ILE 656 2HG2 ILE 656 2.226 -21.158 -0.870 79 3HG2 ILE 656 3HG2 ILE 656 3.518 -20.020 -0.488 80 1HD1 ILE 656 1HD1 ILE 656 3.414 -25.119 0.320 81 2HD1 ILE 656 2HD1 ILE 656 2.082 -23.974 0.490 82 3HD1 ILE 656 3HD1 ILE 656 3.044 -23.995 -0.988 83 H VAL 657 H VAL 657 5.438 -18.614 1.273 84 HA VAL 657 HA VAL 657 3.064 -17.021 1.982 85 HB VAL 657 HB VAL 657 5.975 -16.211 2.002 86 1HG1 VAL 657 1HG1 VAL 657 3.464 -14.673 2.168 87 2HG1 VAL 657 2HG1 VAL 657 4.708 -14.258 3.349 88 3HG1 VAL 657 3HG1 VAL 657 5.066 -14.178 1.624 89 1HG2 VAL 657 1HG2 VAL 657 5.679 -16.067 4.432 90 2HG2 VAL 657 2HG2 VAL 657 4.031 -16.673 4.264 91 3HG2 VAL 657 3HG2 VAL 657 5.398 -17.703 3.838 92 HA PRO 658 HA PRO 658 3.496 -16.488 -2.576 93 1HB PRO 658 1HB PRO 658 0.822 -16.360 -3.027 94 2HB PRO 658 2HB PRO 658 1.708 -17.887 -2.925 95 1HG PRO 658 1HG PRO 658 0.057 -16.512 -0.841 96 2HG PRO 658 2HG PRO 658 0.113 -18.232 -1.269 97 1HD PRO 658 1HD PRO 658 1.416 -17.222 0.879 98 2HD PRO 658 2HD PRO 658 2.035 -18.601 -0.052 99 H LEU 659 H LEU 659 2.662 -14.719 -3.955 100 HA LEU 659 HA LEU 659 3.083 -12.215 -2.877 101 1HB LEU 659 1HB LEU 659 3.167 -12.692 -5.266 102 2HB LEU 659 2HB LEU 659 1.423 -12.939 -5.288 103 HG LEU 659 HG LEU 659 1.313 -10.478 -4.475 104 1HD1 LEU 659 1HD1 LEU 659 3.364 -9.655 -4.064 105 2HD1 LEU 659 2HD1 LEU 659 3.397 -9.393 -5.807 106 3HD1 LEU 659 3HD1 LEU 659 4.161 -10.825 -5.117 107 1HD2 LEU 659 1HD2 LEU 659 2.253 -10.451 -7.247 108 2HD2 LEU 659 2HD2 LEU 659 0.689 -9.994 -6.572 109 3HD2 LEU 659 3HD2 LEU 659 1.046 -11.690 -6.901 110 H GLU 660 H GLU 660 -0.069 -13.660 -3.714 111 HA GLU 660 HA GLU 660 -1.701 -11.620 -2.798 112 1HB GLU 660 1HB GLU 660 -2.169 -14.603 -2.827 113 2HB GLU 660 2HB GLU 660 -3.424 -13.427 -2.464 114 1HG GLU 660 1HG GLU 660 -2.675 -12.401 -4.762 115 2HG GLU 660 2HG GLU 660 -2.086 -14.039 -5.045 116 H ALA 661 H ALA 661 -0.128 -14.201 -1.007 117 HA ALA 661 HA ALA 661 -1.493 -13.870 1.436 118 1HB ALA 661 1HB ALA 661 0.865 -14.816 2.273 119 2HB ALA 661 2HB ALA 661 -0.354 -15.825 1.492 120 3HB ALA 661 3HB ALA 661 0.999 -15.193 0.555 121 H ARG 662 H ARG 662 1.905 -12.975 0.842 122 HA ARG 662 HA ARG 662 2.227 -11.308 3.009 123 1HB ARG 662 1HB ARG 662 4.026 -10.190 1.630 124 2HB ARG 662 2HB ARG 662 4.150 -11.938 1.767 125 1HG ARG 662 1HG ARG 662 3.088 -12.144 -0.458 126 2HG ARG 662 2HG ARG 662 3.109 -10.385 -0.591 127 1HD ARG 662 1HD ARG 662 5.672 -10.759 -0.006 128 2HD ARG 662 2HD ARG 662 5.344 -12.335 -0.724 129 HE ARG 662 HE ARG 662 4.331 -10.411 -2.455 130 1HH1 ARG 662 2HH1 ARG 662 7.416 -11.402 -1.183 131 2HH1 ARG 662 1HH1 ARG 662 8.303 -10.893 -2.582 132 1HH2 ARG 662 2HH2 ARG 662 5.486 -9.738 -4.302 133 2HH2 ARG 662 1HH2 ARG 662 7.204 -9.946 -4.355 134 H MET 663 H MET 663 1.192 -10.409 -0.273 135 HA MET 663 HA MET 663 0.968 -7.670 0.078 136 1HB MET 663 1HB MET 663 -0.486 -9.630 -1.668 137 2HB MET 663 2HB MET 663 -0.949 -7.933 -1.666 138 1HG MET 663 1HG MET 663 1.483 -7.420 -2.160 139 2HG MET 663 2HG MET 663 1.673 -9.143 -2.475 140 1HE MET 663 1HE MET 663 1.630 -6.652 -5.580 141 2HE MET 663 2HE MET 663 0.473 -5.744 -4.607 142 3HE MET 663 3HE MET 663 1.965 -6.339 -3.877 143 H LYS 664 H LYS 664 -1.383 -10.215 0.806 144 HA LYS 664 HA LYS 664 -3.541 -8.586 1.511 145 1HB LYS 664 1HB LYS 664 -2.709 -11.375 2.196 146 2HB LYS 664 2HB LYS 664 -4.046 -10.648 3.079 147 1HG LYS 664 1HG LYS 664 -3.968 -10.731 0.080 148 2HG LYS 664 2HG LYS 664 -4.627 -12.051 1.049 149 1HD LYS 664 1HD LYS 664 -5.567 -9.262 1.547 150 2HD LYS 664 2HD LYS 664 -6.189 -10.147 0.152 151 1HE LYS 664 1HE LYS 664 -6.210 -11.288 2.934 152 2HE LYS 664 2HE LYS 664 -7.531 -10.303 2.306 153 1HZ LYS 664 1HZ LYS 664 -8.083 -12.567 1.949 154 2HZ LYS 664 2HZ LYS 664 -6.577 -12.909 1.259 155 3HZ LYS 664 3HZ LYS 664 -7.679 -11.923 0.438 156 H GLN 665 H GLN 665 -0.945 -9.928 3.534 157 HA GLN 665 HA GLN 665 -1.797 -8.975 5.997 158 1HB GLN 665 1HB GLN 665 0.987 -9.426 4.925 159 2HB GLN 665 2HB GLN 665 0.660 -9.016 6.603 160 1HG GLN 665 1HG GLN 665 -0.874 -11.056 6.617 161 2HG GLN 665 2HG GLN 665 -0.079 -11.503 5.108 162 1HE2 GLN 665 1HE2 GLN 665 2.173 -11.929 5.139 163 2HE2 GLN 665 2HE2 GLN 665 2.960 -12.421 6.596 164 H PHE 666 H PHE 666 0.435 -7.419 3.698 165 HA PHE 666 HA PHE 666 0.916 -5.086 5.114 166 1HB PHE 666 1HB PHE 666 1.985 -5.895 2.929 167 2HB PHE 666 2HB PHE 666 0.618 -5.141 2.116 168 HD1 PHE 666 1HD PHE 666 3.328 -4.388 4.552 169 HD2 PHE 666 2HD PHE 666 0.734 -2.914 1.516 170 HE1 PHE 666 1HE PHE 666 4.498 -2.224 4.607 171 HE2 PHE 666 2HE PHE 666 1.900 -0.748 1.566 172 HZ PHE 666 HZ PHE 666 3.785 -0.401 3.112 173 H LYS 667 H LYS 667 -1.504 -5.546 2.533 174 HA LYS 667 HA LYS 667 -2.741 -3.071 2.729 175 1HB LYS 667 1HB LYS 667 -3.084 -4.996 1.025 176 2HB LYS 667 2HB LYS 667 -4.306 -5.571 2.152 177 1HG LYS 667 1HG LYS 667 -5.684 -3.749 1.793 178 2HG LYS 667 2HG LYS 667 -4.367 -2.746 1.181 179 1HD LYS 667 1HD LYS 667 -5.323 -5.204 -0.264 180 2HD LYS 667 2HD LYS 667 -6.046 -3.614 -0.525 181 1HE LYS 667 1HE LYS 667 -3.557 -2.881 -0.881 182 2HE LYS 667 2HE LYS 667 -3.309 -4.597 -1.202 183 1HZ LYS 667 1HZ LYS 667 -5.445 -3.089 -2.573 184 2HZ LYS 667 2HZ LYS 667 -4.700 -4.533 -3.041 185 3HZ LYS 667 3HZ LYS 667 -3.857 -3.071 -3.157 186 H ASP 668 H ASP 668 -3.226 -5.987 4.631 187 HA ASP 668 HA ASP 668 -5.588 -5.260 5.946 188 1HB ASP 668 1HB ASP 668 -3.362 -7.159 6.482 189 2HB ASP 668 2HB ASP 668 -4.419 -6.755 7.832 190 H MET 669 H MET 669 -2.206 -4.867 7.002 191 HA MET 669 HA MET 669 -2.828 -3.446 9.360 192 1HB MET 669 1HB MET 669 -0.403 -2.724 9.226 193 2HB MET 669 2HB MET 669 -0.689 -4.459 9.235 194 1HG MET 669 1HG MET 669 -0.347 -4.570 6.851 195 2HG MET 669 2HG MET 669 -0.180 -2.818 6.766 196 1HE MET 669 1HE MET 669 1.814 -2.510 5.709 197 2HE MET 669 2HE MET 669 2.346 -1.606 7.127 198 3HE MET 669 3HE MET 669 3.431 -2.769 6.365 199 H LEU 670 H LEU 670 -2.184 -2.428 6.056 200 HA LEU 670 HA LEU 670 -1.809 0.292 6.424 201 1HB LEU 670 1HB LEU 670 -3.006 -1.321 4.206 202 2HB LEU 670 2HB LEU 670 -2.982 0.439 4.117 203 HG LEU 670 HG LEU 670 -0.510 -1.252 4.463 204 1HD1 LEU 670 1HD1 LEU 670 -2.122 -0.753 2.109 205 2HD1 LEU 670 2HD1 LEU 670 -0.751 -1.839 2.332 206 3HD1 LEU 670 3HD1 LEU 670 -0.476 -0.145 1.926 207 1HD2 LEU 670 1HD2 LEU 670 -0.487 1.156 5.199 208 2HD2 LEU 670 2HD2 LEU 670 -0.781 1.593 3.515 209 3HD2 LEU 670 3HD2 LEU 670 0.692 0.730 3.958 210 H LEU 671 H LEU 671 -4.867 -1.459 5.928 211 HA LEU 671 HA LEU 671 -6.475 0.882 6.248 212 1HB LEU 671 1HB LEU 671 -7.213 -1.040 4.928 213 2HB LEU 671 2HB LEU 671 -7.223 -2.036 6.382 214 HG LEU 671 HG LEU 671 -8.988 -0.452 7.284 215 1HD1 LEU 671 1HD1 LEU 671 -8.691 1.424 5.836 216 2HD1 LEU 671 2HD1 LEU 671 -10.286 0.740 5.521 217 3HD1 LEU 671 3HD1 LEU 671 -8.957 0.429 4.404 218 1HD2 LEU 671 1HD2 LEU 671 -10.661 -1.783 6.457 219 2HD2 LEU 671 2HD2 LEU 671 -9.249 -2.767 6.072 220 3HD2 LEU 671 3HD2 LEU 671 -10.005 -1.782 4.820 221 H GLU 672 H GLU 672 -5.881 -1.973 8.296 222 HA GLU 672 HA GLU 672 -7.400 -1.210 10.490 223 1HB GLU 672 1HB GLU 672 -5.056 -2.996 10.082 224 2HB GLU 672 2HB GLU 672 -5.452 -2.548 11.735 225 1HG GLU 672 1HG GLU 672 -7.722 -3.406 11.419 226 2HG GLU 672 2HG GLU 672 -7.309 -3.872 9.771 227 H ARG 673 H ARG 673 -3.848 -0.927 10.295 228 HA ARG 673 HA ARG 673 -3.303 0.547 12.481 229 1HB ARG 673 1HB ARG 673 -2.159 0.934 9.712 230 2HB ARG 673 2HB ARG 673 -1.473 1.651 11.163 231 1HG ARG 673 1HG ARG 673 -1.878 -1.309 10.893 232 2HG ARG 673 2HG ARG 673 -0.423 -0.499 10.309 233 1HD ARG 673 1HD ARG 673 0.111 -1.245 12.473 234 2HD ARG 673 2HD ARG 673 -0.215 0.480 12.644 235 HE ARG 673 HE ARG 673 -1.965 -0.040 14.010 236 1HH1 ARG 673 2HH1 ARG 673 -1.144 -2.853 12.131 237 2HH1 ARG 673 1HH1 ARG 673 -2.249 -3.894 12.966 238 1HH2 ARG 673 2HH2 ARG 673 -3.424 -1.400 15.117 239 2HH2 ARG 673 1HH2 ARG 673 -3.546 -3.066 14.664 240 H GLY 674 H GLY 674 -4.999 1.657 9.650 241 1HA GLY 674 1HA GLY 674 -6.486 3.492 9.666 242 2HA GLY 674 2HA GLY 674 -5.632 4.143 11.056 243 H VAL 675 H VAL 675 -4.335 3.074 7.934 244 HA VAL 675 HA VAL 675 -2.700 5.395 7.695 245 HB VAL 675 HB VAL 675 -3.358 3.202 5.729 246 1HG1 VAL 675 1HG1 VAL 675 -2.821 5.267 4.527 247 2HG1 VAL 675 2HG1 VAL 675 -1.323 5.413 5.449 248 3HG1 VAL 675 3HG1 VAL 675 -1.550 4.060 4.340 249 1HG2 VAL 675 1HG2 VAL 675 -0.770 2.895 6.227 250 2HG2 VAL 675 2HG2 VAL 675 -1.224 3.683 7.738 251 3HG2 VAL 675 3HG2 VAL 675 -2.009 2.179 7.257 252 H SER 676 H SER 676 -3.937 7.241 7.628 253 HA SER 676 HA SER 676 -6.267 7.629 6.138 254 1HB SER 676 1HB SER 676 -4.174 9.597 7.080 255 2HB SER 676 2HB SER 676 -5.694 10.084 6.330 256 HG SER 676 HG SER 676 -6.772 8.952 8.027 257 H ALA 677 H ALA 677 -6.634 7.824 4.033 258 HA ALA 677 HA ALA 677 -4.585 7.587 2.109 259 1HB ALA 677 1HB ALA 677 -6.315 7.835 0.459 260 2HB ALA 677 2HB ALA 677 -6.926 6.840 1.782 261 3HB ALA 677 3HB ALA 677 -7.411 8.531 1.654 262 H PHE 678 H PHE 678 -6.234 10.345 3.493 263 HA PHE 678 HA PHE 678 -5.135 12.199 1.565 264 1HB PHE 678 1HB PHE 678 -6.749 12.593 4.089 265 2HB PHE 678 2HB PHE 678 -6.185 13.923 3.081 266 HD1 PHE 678 1HD PHE 678 -7.287 14.494 1.069 267 HD2 PHE 678 2HD PHE 678 -8.378 10.962 3.179 268 HE1 PHE 678 1HE PHE 678 -9.284 14.267 -0.350 269 HE2 PHE 678 2HE PHE 678 -10.376 10.729 1.763 270 HZ PHE 678 HZ PHE 678 -10.832 12.382 -0.005 271 H SER 679 H SER 679 -3.218 10.640 3.014 272 HA SER 679 HA SER 679 -1.814 12.797 4.447 273 1HB SER 679 1HB SER 679 -2.721 10.706 5.787 274 2HB SER 679 2HB SER 679 -1.274 9.937 5.136 275 HG SER 679 HG SER 679 -1.351 11.355 7.260 276 H THR 680 H THR 680 0.632 11.826 4.753 277 HA THR 680 HA THR 680 1.538 11.368 1.992 278 HB THR 680 HB THR 680 2.352 13.443 3.067 279 HG1 THR 680 1HG THR 680 4.623 11.806 2.877 280 1HG2 THR 680 1HG2 THR 680 3.270 13.514 5.112 281 2HG2 THR 680 2HG2 THR 680 4.281 12.103 4.799 282 3HG2 THR 680 3HG2 THR 680 2.612 11.893 5.328 283 H TRP 681 H TRP 681 3.433 10.010 1.675 284 HA TRP 681 HA TRP 681 3.175 7.500 2.921 285 1HB TRP 681 1HB TRP 681 4.043 7.519 0.718 286 2HB TRP 681 2HB TRP 681 5.291 8.690 1.135 287 HD1 TRP 681 HD TRP 681 7.612 7.715 1.630 288 HE1 TRP 681 1HE TRP 681 8.554 5.369 2.113 289 HE3 TRP 681 3HE TRP 681 3.216 5.124 1.940 290 HZ2 TRP 681 2HZ TRP 681 7.564 2.765 2.565 291 HZ3 TRP 681 3HZ TRP 681 3.300 2.709 2.400 292 HH2 TRP 681 HH TRP 681 5.431 1.555 2.705 293 H GLU 682 H GLU 682 5.396 10.185 3.449 294 HA GLU 682 HA GLU 682 7.262 8.968 5.097 295 1HB GLU 682 1HB GLU 682 6.242 11.750 4.796 296 2HB GLU 682 2HB GLU 682 7.217 11.386 6.213 297 1HG GLU 682 1HG GLU 682 8.822 10.324 4.419 298 2HG GLU 682 2HG GLU 682 7.981 11.440 3.345 299 H LYS 683 H LYS 683 4.355 10.759 6.133 300 HA LYS 683 HA LYS 683 4.568 10.135 8.857 301 1HB LYS 683 1HB LYS 683 2.310 11.012 7.091 302 2HB LYS 683 2HB LYS 683 1.989 10.557 8.759 303 1HG LYS 683 1HG LYS 683 3.123 12.356 9.616 304 2HG LYS 683 2HG LYS 683 4.150 12.525 8.190 305 1HD LYS 683 1HD LYS 683 2.760 14.307 7.863 306 2HD LYS 683 2HD LYS 683 1.827 13.059 7.033 307 1HE LYS 683 1HE LYS 683 1.385 13.523 9.948 308 2HE LYS 683 2HE LYS 683 0.687 14.645 8.781 309 1HZ LYS 683 1HZ LYS 683 -0.454 12.339 9.595 310 2HZ LYS 683 2HZ LYS 683 0.254 11.876 8.130 311 3HZ LYS 683 3HZ LYS 683 -0.844 13.162 8.169 312 H GLU 684 H GLU 684 2.344 8.711 6.452 313 HA GLU 684 HA GLU 684 1.310 6.691 8.027 314 1HB GLU 684 1HB GLU 684 1.890 6.581 5.062 315 2HB GLU 684 2HB GLU 684 0.794 5.513 5.928 316 1HG GLU 684 1HG GLU 684 -0.786 7.167 6.242 317 2HG GLU 684 2HG GLU 684 0.383 8.468 6.018 318 H LEU 685 H LEU 685 4.355 6.813 6.290 319 HA LEU 685 HA LEU 685 5.060 4.111 6.410 320 1HB LEU 685 1HB LEU 685 6.366 5.477 5.034 321 2HB LEU 685 2HB LEU 685 6.651 6.650 6.319 322 HG LEU 685 HG LEU 685 7.968 4.701 7.437 323 1HD1 LEU 685 1HD1 LEU 685 7.850 3.832 4.558 324 2HD1 LEU 685 2HD1 LEU 685 7.376 2.912 5.985 325 3HD1 LEU 685 3HD1 LEU 685 9.077 3.281 5.700 326 1HD2 LEU 685 1HD2 LEU 685 8.734 6.913 6.240 327 2HD2 LEU 685 2HD2 LEU 685 9.337 5.786 5.025 328 3HD2 LEU 685 3HD2 LEU 685 9.904 5.672 6.692 329 H HIS 686 H HIS 686 6.212 6.715 8.564 330 HA HIS 686 HA HIS 686 7.487 5.156 10.441 331 1HB HIS 686 1HB HIS 686 7.500 7.021 11.835 332 2HB HIS 686 2HB HIS 686 7.285 7.742 10.243 333 HD1 HIS 686 1HD HIS 686 5.626 9.557 10.313 334 HD2 HIS 686 2HD HIS 686 4.675 6.512 12.975 335 HE1 HIS 686 1HE HIS 686 3.491 10.280 11.427 336 H LYS 687 H LYS 687 4.059 5.830 10.109 337 HA LYS 687 HA LYS 687 3.218 4.829 12.605 338 1HB LYS 687 1HB LYS 687 1.754 4.984 9.965 339 2HB LYS 687 2HB LYS 687 0.991 4.599 11.502 340 1HG LYS 687 1HG LYS 687 1.869 6.829 12.331 341 2HG LYS 687 2HG LYS 687 2.241 7.190 10.643 342 1HD LYS 687 1HD LYS 687 -0.195 6.604 10.158 343 2HD LYS 687 2HD LYS 687 -0.443 6.690 11.904 344 1HE LYS 687 1HE LYS 687 -1.006 8.825 11.133 345 2HE LYS 687 2HE LYS 687 0.633 9.006 11.756 346 1HZ LYS 687 1HZ LYS 687 1.488 8.875 9.523 347 2HZ LYS 687 2HZ LYS 687 0.319 10.094 9.600 348 3HZ LYS 687 3HZ LYS 687 -0.060 8.604 8.896 349 H ILE 688 H ILE 688 3.721 3.277 9.474 350 HA ILE 688 HA ILE 688 3.100 0.675 10.692 351 HB ILE 688 HB ILE 688 2.961 -0.203 8.410 352 1HG1 ILE 688 1HG1 ILE 688 3.129 2.589 7.329 353 2HG1 ILE 688 2HG1 ILE 688 4.604 1.663 7.584 354 1HG2 ILE 688 1HG2 ILE 688 1.266 2.015 9.371 355 2HG2 ILE 688 2HG2 ILE 688 1.052 1.536 7.688 356 3HG2 ILE 688 3HG2 ILE 688 0.843 0.350 8.975 357 1HD1 ILE 688 1HD1 ILE 688 4.275 0.481 5.738 358 2HD1 ILE 688 2HD1 ILE 688 2.601 0.131 6.169 359 3HD1 ILE 688 3HD1 ILE 688 3.002 1.634 5.339 360 H VAL 689 H VAL 689 5.667 2.443 10.652 361 HA VAL 689 HA VAL 689 7.595 0.758 9.333 362 HB VAL 689 HB VAL 689 7.773 3.300 9.760 363 1HG1 VAL 689 1HG1 VAL 689 9.175 2.531 12.274 364 2HG1 VAL 689 2HG1 VAL 689 8.492 4.085 11.793 365 3HG1 VAL 689 3HG1 VAL 689 7.429 2.775 12.310 366 1HG2 VAL 689 1HG2 VAL 689 9.546 2.098 8.707 367 2HG2 VAL 689 2HG2 VAL 689 10.262 3.121 9.952 368 3HG2 VAL 689 3HG2 VAL 689 10.056 1.394 10.241 369 H PHE 690 H PHE 690 6.169 0.974 12.473 370 HA PHE 690 HA PHE 690 8.233 -0.434 13.870 371 1HB PHE 690 1HB PHE 690 6.819 -0.345 15.757 372 2HB PHE 690 2HB PHE 690 6.485 1.143 14.878 373 HD1 PHE 690 1HD PHE 690 5.216 -2.232 15.641 374 HD2 PHE 690 2HD PHE 690 4.337 1.595 13.998 375 HE1 PHE 690 1HE PHE 690 2.823 -2.805 15.595 376 HE2 PHE 690 2HE PHE 690 1.944 1.028 13.949 377 HZ PHE 690 HZ PHE 690 1.184 -1.173 14.749 378 H ASP 691 H ASP 691 5.087 -1.311 12.496 379 HA ASP 691 HA ASP 691 4.913 -3.936 13.353 380 1HB ASP 691 1HB ASP 691 3.228 -2.526 11.997 381 2HB ASP 691 2HB ASP 691 4.086 -3.118 10.577 382 HA PRO 692 HA PRO 692 8.259 -6.011 11.373 383 1HB PRO 692 1HB PRO 692 7.321 -8.552 11.567 384 2HB PRO 692 2HB PRO 692 7.963 -7.656 12.949 385 1HG PRO 692 1HG PRO 692 5.116 -8.104 12.139 386 2HG PRO 692 2HG PRO 692 5.845 -8.180 13.754 387 1HD PRO 692 1HD PRO 692 4.450 -6.028 12.886 388 2HD PRO 692 2HD PRO 692 5.813 -5.890 14.014 389 H ARG 693 H ARG 693 4.935 -6.682 10.365 390 HA ARG 693 HA ARG 693 5.473 -8.072 8.005 391 1HB ARG 693 1HB ARG 693 3.175 -6.205 8.620 392 2HB ARG 693 2HB ARG 693 3.220 -7.348 7.285 393 1HG ARG 693 1HG ARG 693 3.317 -9.204 8.847 394 2HG ARG 693 2HG ARG 693 3.337 -8.076 10.204 395 1HD ARG 693 1HD ARG 693 1.122 -7.863 8.233 396 2HD ARG 693 2HD ARG 693 1.101 -9.219 9.360 397 HE ARG 693 HE ARG 693 1.519 -6.646 10.593 398 1HH1 ARG 693 2HH1 ARG 693 -0.820 -8.999 9.539 399 2HH1 ARG 693 1HH1 ARG 693 -2.058 -8.442 10.615 400 1HH2 ARG 693 2HH2 ARG 693 -0.102 -5.904 12.015 401 2HH2 ARG 693 1HH2 ARG 693 -1.649 -6.681 12.023 402 H TYR 694 H TYR 694 6.014 -4.802 8.788 403 HA TYR 694 HA TYR 694 5.748 -3.625 6.231 404 1HB TYR 694 1HB TYR 694 5.805 -2.095 7.999 405 2HB TYR 694 2HB TYR 694 7.202 -2.862 8.745 406 HD1 TYR 694 1HD TYR 694 9.389 -2.130 8.254 407 HD2 TYR 694 2HD TYR 694 6.136 -0.784 5.865 408 HE1 TYR 694 1HE TYR 694 10.871 -0.496 7.168 409 HE2 TYR 694 2HE TYR 694 7.610 0.853 4.771 410 HH TYR 694 HH TYR 694 9.700 1.587 4.546 411 H LEU 695 H LEU 695 8.032 -5.786 7.503 412 HA LEU 695 HA LEU 695 10.049 -5.030 5.508 413 1HB LEU 695 1HB LEU 695 10.299 -6.978 7.792 414 2HB LEU 695 2HB LEU 695 11.598 -6.402 6.751 415 HG LEU 695 HG LEU 695 10.032 -4.600 8.589 416 1HD1 LEU 695 1HD1 LEU 695 12.250 -6.453 9.147 417 2HD1 LEU 695 2HD1 LEU 695 11.046 -5.757 10.231 418 3HD1 LEU 695 3HD1 LEU 695 12.454 -4.809 9.752 419 1HD2 LEU 695 1HD2 LEU 695 11.441 -3.816 6.518 420 2HD2 LEU 695 2HD2 LEU 695 12.801 -4.103 7.604 421 3HD2 LEU 695 3HD2 LEU 695 11.539 -2.956 8.055 422 H LEU 696 H LEU 696 7.549 -7.219 6.047 423 HA LEU 696 HA LEU 696 8.547 -9.569 4.874 424 1HB LEU 696 1HB LEU 696 5.777 -8.435 5.127 425 2HB LEU 696 2HB LEU 696 6.086 -9.989 4.355 426 HG LEU 696 HG LEU 696 6.878 -9.368 7.195 427 1HD1 LEU 696 1HD1 LEU 696 4.517 -11.050 6.508 428 2HD1 LEU 696 2HD1 LEU 696 4.342 -9.296 6.549 429 3HD1 LEU 696 3HD1 LEU 696 4.879 -10.162 7.988 430 1HD2 LEU 696 1HD2 LEU 696 7.937 -11.312 7.040 431 2HD2 LEU 696 2HD2 LEU 696 7.350 -11.550 5.394 432 3HD2 LEU 696 3HD2 LEU 696 6.382 -12.097 6.764 433 H LEU 697 H LEU 697 6.627 -6.933 3.436 434 HA LEU 697 HA LEU 697 7.055 -7.983 0.773 435 1HB LEU 697 1HB LEU 697 5.543 -5.670 1.919 436 2HB LEU 697 2HB LEU 697 5.858 -5.757 0.187 437 HG LEU 697 HG LEU 697 4.412 -7.901 1.737 438 1HD1 LEU 697 1HD1 LEU 697 2.392 -6.936 1.271 439 2HD1 LEU 697 2HD1 LEU 697 3.018 -6.019 -0.099 440 3HD1 LEU 697 3HD1 LEU 697 3.372 -5.495 1.547 441 1HD2 LEU 697 1HD2 LEU 697 3.618 -8.453 -0.602 442 2HD2 LEU 697 2HD2 LEU 697 5.311 -8.804 -0.251 443 3HD2 LEU 697 3HD2 LEU 697 4.882 -7.370 -1.186 444 H ASN 698 H ASN 698 8.192 -6.950 -0.884 445 HA ASN 698 HA ASN 698 10.647 -5.825 -0.221 446 1HB ASN 698 1HB ASN 698 9.074 -6.132 -2.722 447 2HB ASN 698 2HB ASN 698 10.388 -4.961 -2.751 448 1HD2 ASN 698 1HD2 ASN 698 11.218 -6.467 -4.381 449 2HD2 ASN 698 2HD2 ASN 698 12.157 -7.817 -3.851 450 HA PRO 699 HA PRO 699 10.036 -1.527 0.409 451 1HB PRO 699 1HB PRO 699 12.118 -0.415 -0.932 452 2HB PRO 699 2HB PRO 699 12.318 -1.313 0.577 453 1HG PRO 699 1HG PRO 699 12.743 -2.227 -2.241 454 2HG PRO 699 2HG PRO 699 13.741 -2.524 -0.806 455 1HD PRO 699 1HD PRO 699 12.016 -4.366 -1.786 456 2HD PRO 699 2HD PRO 699 12.378 -4.224 -0.054 457 H LYS 700 H LYS 700 10.516 -2.517 -2.941 458 HA LYS 700 HA LYS 700 9.545 -0.094 -4.091 459 1HB LYS 700 1HB LYS 700 9.969 -2.868 -5.196 460 2HB LYS 700 2HB LYS 700 9.349 -1.545 -6.175 461 1HG LYS 700 1HG LYS 700 11.365 -0.307 -5.921 462 2HG LYS 700 2HG LYS 700 11.969 -1.433 -4.704 463 1HD LYS 700 1HD LYS 700 12.474 -3.052 -6.257 464 2HD LYS 700 2HD LYS 700 11.266 -2.474 -7.408 465 1HE LYS 700 1HE LYS 700 12.785 -0.368 -7.534 466 2HE LYS 700 2HE LYS 700 14.017 -1.432 -6.858 467 1HZ LYS 700 1HZ LYS 700 13.078 -1.268 -9.521 468 2HZ LYS 700 2HZ LYS 700 12.831 -2.832 -8.926 469 3HZ LYS 700 3HZ LYS 700 14.381 -2.155 -8.905 470 H GLU 701 H GLU 701 8.108 -3.294 -3.521 471 HA GLU 701 HA GLU 701 5.600 -2.767 -4.652 472 1HB GLU 701 1HB GLU 701 6.379 -4.644 -2.416 473 2HB GLU 701 2HB GLU 701 4.800 -4.637 -3.189 474 1HG GLU 701 1HG GLU 701 7.201 -4.898 -4.913 475 2HG GLU 701 2HG GLU 701 6.710 -6.285 -3.942 476 H ARG 702 H ARG 702 6.639 -2.567 -1.250 477 HA ARG 702 HA ARG 702 4.392 -1.841 0.039 478 1HB ARG 702 1HB ARG 702 7.197 -0.809 0.309 479 2HB ARG 702 2HB ARG 702 5.918 -0.177 1.337 480 1HG ARG 702 1HG ARG 702 5.504 -2.336 2.270 481 2HG ARG 702 2HG ARG 702 6.593 -3.100 1.110 482 1HD ARG 702 1HD ARG 702 7.677 -0.940 2.840 483 2HD ARG 702 2HD ARG 702 7.358 -2.510 3.577 484 HE ARG 702 HE ARG 702 8.831 -2.806 1.174 485 1HH1 ARG 702 2HH1 ARG 702 9.152 -1.835 4.502 486 2HH1 ARG 702 1HH1 ARG 702 10.829 -2.256 4.599 487 1HH2 ARG 702 2HH2 ARG 702 11.040 -3.363 1.289 488 2HH2 ARG 702 1HH2 ARG 702 11.903 -3.124 2.771 489 H LYS 703 H LYS 703 6.383 0.348 -1.918 490 HA LYS 703 HA LYS 703 4.743 2.632 -1.474 491 1HB LYS 703 1HB LYS 703 7.108 2.804 -2.138 492 2HB LYS 703 2HB LYS 703 6.723 2.077 -3.693 493 1HG LYS 703 1HG LYS 703 6.726 4.275 -4.276 494 2HG LYS 703 2HG LYS 703 5.028 4.086 -3.834 495 1HD LYS 703 1HD LYS 703 5.754 4.820 -1.488 496 2HD LYS 703 2HD LYS 703 7.251 5.351 -2.258 497 1HE LYS 703 1HE LYS 703 4.535 6.216 -3.217 498 2HE LYS 703 2HE LYS 703 5.427 7.096 -1.977 499 1HZ LYS 703 1HZ LYS 703 7.297 7.195 -3.642 500 2HZ LYS 703 2HZ LYS 703 5.937 8.134 -4.002 501 3HZ LYS 703 3HZ LYS 703 6.188 6.666 -4.805 502 H GLN 704 H GLN 704 4.985 0.255 -4.091 503 HA GLN 704 HA GLN 704 3.141 1.437 -5.839 504 1HB GLN 704 1HB GLN 704 4.041 -1.409 -5.449 505 2HB GLN 704 2HB GLN 704 2.861 -0.973 -6.678 506 1HG GLN 704 1HG GLN 704 4.399 0.238 -7.912 507 2HG GLN 704 2HG GLN 704 5.492 0.435 -6.543 508 1HE2 GLN 704 1HE2 GLN 704 4.508 -1.584 -9.152 509 2HE2 GLN 704 2HE2 GLN 704 5.749 -2.774 -8.986 510 H VAL 705 H VAL 705 2.610 -1.315 -3.627 511 HA VAL 705 HA VAL 705 -0.135 -1.530 -3.953 512 HB VAL 705 HB VAL 705 1.507 -2.098 -1.482 513 1HG1 VAL 705 1HG1 VAL 705 -1.267 -3.062 -2.173 514 2HG1 VAL 705 2HG1 VAL 705 -0.333 -3.488 -0.737 515 3HG1 VAL 705 3HG1 VAL 705 -0.888 -1.829 -0.970 516 1HG2 VAL 705 1HG2 VAL 705 2.359 -3.594 -2.965 517 2HG2 VAL 705 2HG2 VAL 705 0.932 -4.505 -2.473 518 3HG2 VAL 705 3HG2 VAL 705 0.915 -3.584 -3.977 519 H PHE 706 H PHE 706 1.706 0.505 -1.720 520 HA PHE 706 HA PHE 706 -0.442 1.490 -0.221 521 1HB PHE 706 1HB PHE 706 1.658 1.945 0.688 522 2HB PHE 706 2HB PHE 706 2.303 2.526 -0.843 523 HD1 PHE 706 1HD PHE 706 1.742 4.778 -1.650 524 HD2 PHE 706 2HD PHE 706 0.503 3.395 2.180 525 HE1 PHE 706 1HE PHE 706 1.281 7.096 -0.966 526 HE2 PHE 706 2HE PHE 706 0.039 5.711 2.869 527 HZ PHE 706 HZ PHE 706 0.427 7.565 1.295 528 H ASP 707 H ASP 707 1.113 2.811 -3.130 529 HA ASP 707 HA ASP 707 -0.366 5.138 -3.398 530 1HB ASP 707 1HB ASP 707 1.626 4.453 -4.776 531 2HB ASP 707 2HB ASP 707 0.551 3.403 -5.695 532 H GLN 708 H GLN 708 -1.091 1.900 -4.667 533 HA GLN 708 HA GLN 708 -3.507 2.625 -5.940 534 1HB GLN 708 1HB GLN 708 -2.523 -0.046 -4.929 535 2HB GLN 708 2HB GLN 708 -3.975 0.163 -5.898 536 1HG GLN 708 1HG GLN 708 -1.410 1.257 -6.926 537 2HG GLN 708 2HG GLN 708 -1.678 -0.484 -6.989 538 1HE2 GLN 708 1HE2 GLN 708 -1.379 0.384 -9.342 539 2HE2 GLN 708 2HE2 GLN 708 -2.854 0.669 -10.193 540 H TYR 709 H TYR 709 -2.780 1.364 -2.719 541 HA TYR 709 HA TYR 709 -5.423 0.948 -1.871 542 1HB TYR 709 1HB TYR 709 -3.789 -0.035 -0.517 543 2HB TYR 709 2HB TYR 709 -2.833 1.440 -0.432 544 HD1 TYR 709 1HD TYR 709 -5.717 -0.359 0.930 545 HD2 TYR 709 2HD TYR 709 -3.394 3.198 1.147 546 HE1 TYR 709 1HE TYR 709 -6.769 0.189 3.085 547 HE2 TYR 709 2HE TYR 709 -4.438 3.756 3.303 548 HH TYR 709 HH TYR 709 -7.116 1.898 4.582 549 H VAL 710 H VAL 710 -3.285 3.762 -1.488 550 HA VAL 710 HA VAL 710 -5.044 5.374 -0.030 551 HB VAL 710 HB VAL 710 -2.918 6.233 -1.998 552 1HG1 VAL 710 1HG1 VAL 710 -3.104 8.390 -1.248 553 2HG1 VAL 710 2HG1 VAL 710 -4.791 7.881 -1.159 554 3HG1 VAL 710 3HG1 VAL 710 -3.799 7.910 0.299 555 1HG2 VAL 710 1HG2 VAL 710 -2.107 6.649 0.660 556 2HG2 VAL 710 2HG2 VAL 710 -2.773 5.017 0.596 557 3HG2 VAL 710 3HG2 VAL 710 -1.465 5.479 -0.494 558 H LYS 711 H LYS 711 -4.579 5.057 -3.531 559 HA LYS 711 HA LYS 711 -6.300 7.084 -4.367 560 1HB LYS 711 1HB LYS 711 -4.683 5.483 -5.694 561 2HB LYS 711 2HB LYS 711 -6.140 4.521 -5.902 562 1HG LYS 711 1HG LYS 711 -7.165 6.106 -7.216 563 2HG LYS 711 2HG LYS 711 -6.203 7.430 -6.554 564 1HD LYS 711 1HD LYS 711 -4.361 6.916 -7.871 565 2HD LYS 711 2HD LYS 711 -4.889 5.253 -8.135 566 1HE LYS 711 1HE LYS 711 -6.542 5.919 -9.678 567 2HE LYS 711 2HE LYS 711 -6.422 7.611 -9.197 568 1HZ LYS 711 1HZ LYS 711 -3.965 6.459 -10.192 569 2HZ LYS 711 2HZ LYS 711 -4.683 7.950 -10.543 570 3HZ LYS 711 3HZ LYS 711 -5.206 6.552 -11.338 571 H THR 712 H THR 712 -6.991 3.638 -3.813 572 HA THR 712 HA THR 712 -9.733 3.775 -4.455 573 HB THR 712 HB THR 712 -9.879 1.654 -3.030 574 HG1 THR 712 1HG THR 712 -7.574 0.819 -2.785 575 1HG2 THR 712 1HG2 THR 712 -9.404 0.516 -4.905 576 2HG2 THR 712 2HG2 THR 712 -7.733 1.082 -4.928 577 3HG2 THR 712 3HG2 THR 712 -9.015 2.087 -5.603 578 H ARG 713 H ARG 713 -7.991 4.101 -1.392 579 HA ARG 713 HA ARG 713 -10.261 4.231 0.276 580 1HB ARG 713 1HB ARG 713 -7.394 5.044 0.546 581 2HB ARG 713 2HB ARG 713 -8.552 5.572 1.760 582 1HG ARG 713 1HG ARG 713 -8.303 2.688 0.986 583 2HG ARG 713 2HG ARG 713 -7.249 3.421 2.197 584 1HD ARG 713 1HD ARG 713 -8.915 2.668 3.559 585 2HD ARG 713 2HD ARG 713 -9.559 4.262 3.170 586 HE ARG 713 HE ARG 713 -10.415 2.209 1.355 587 1HH1 ARG 713 2HH1 ARG 713 -11.046 3.774 4.401 588 2HH1 ARG 713 1HH1 ARG 713 -12.727 3.353 4.417 589 1HH2 ARG 713 2HH2 ARG 713 -12.627 1.650 1.365 590 2HH2 ARG 713 1HH2 ARG 713 -13.625 2.145 2.690 591 H ALA 714 H ALA 714 -8.486 6.674 -1.528 592 HA ALA 714 HA ALA 714 -9.862 8.901 -0.374 593 1HB ALA 714 1HB ALA 714 -8.866 9.769 -2.799 594 2HB ALA 714 2HB ALA 714 -8.039 9.843 -1.242 595 3HB ALA 714 3HB ALA 714 -7.757 8.481 -2.327 596 H GLU 715 H GLU 715 -10.056 7.262 -3.533 597 HA GLU 715 HA GLU 715 -12.114 8.780 -4.627 598 1HB GLU 715 1HB GLU 715 -12.204 7.211 -6.305 599 2HB GLU 715 2HB GLU 715 -10.621 6.859 -5.628 600 1HG GLU 715 1HG GLU 715 -11.530 5.008 -4.369 601 2HG GLU 715 2HG GLU 715 -13.154 5.389 -4.938 602 H GLU 716 H GLU 716 -12.262 5.906 -2.569 603 HA GLU 716 HA GLU 716 -15.156 5.881 -2.609 604 1HB GLU 716 1HB GLU 716 -13.014 4.144 -1.511 605 2HB GLU 716 2HB GLU 716 -14.559 4.120 -0.674 606 1HG GLU 716 1HG GLU 716 -14.282 3.674 -3.632 607 2HG GLU 716 2HG GLU 716 -14.247 2.372 -2.444 608 H GLU 717 H GLU 717 -13.743 8.235 -1.550 609 HA GLU 717 HA GLU 717 -14.954 8.249 1.132 610 1HB GLU 717 1HB GLU 717 -12.430 8.147 1.179 611 2HB GLU 717 2HB GLU 717 -12.424 9.728 0.409 612 1HG GLU 717 1HG GLU 717 -12.173 10.258 2.633 613 2HG GLU 717 2HG GLU 717 -13.911 10.441 2.397 614 H ARG 718 H ARG 718 -16.124 10.035 1.670 615 HA ARG 718 HA ARG 718 -16.826 11.819 -0.498 616 1HB ARG 718 1HB ARG 718 -17.926 11.194 2.201 617 2HB ARG 718 2HB ARG 718 -18.315 12.756 1.494 618 1HG ARG 718 1HG ARG 718 -18.702 10.299 -0.141 619 2HG ARG 718 2HG ARG 718 -19.869 10.686 1.125 620 1HD ARG 718 1HD ARG 718 -19.939 13.023 0.066 621 2HD ARG 718 2HD ARG 718 -19.149 12.271 -1.319 622 HE ARG 718 HE ARG 718 -21.398 10.748 -0.636 623 1HH1 ARG 718 2HH1 ARG 718 -20.594 13.876 -1.936 624 2HH1 ARG 718 1HH1 ARG 718 -22.055 14.013 -2.857 625 1HH2 ARG 718 2HH2 ARG 718 -23.325 10.917 -1.844 626 2HH2 ARG 718 1HH2 ARG 718 -23.608 12.330 -2.803 627 H ARG 719 H ARG 719 -16.867 14.143 -0.266 628 HA ARG 719 HA ARG 719 -14.747 15.144 1.520 629 1HB ARG 719 1HB ARG 719 -14.452 15.089 -1.107 630 2HB ARG 719 2HB ARG 719 -15.418 16.556 -1.024 631 1HG ARG 719 1HG ARG 719 -13.291 17.405 -0.944 632 2HG ARG 719 2HG ARG 719 -13.673 17.271 0.774 633 1HD ARG 719 1HD ARG 719 -11.487 16.395 0.486 634 2HD ARG 719 2HD ARG 719 -12.559 15.018 0.738 635 HE ARG 719 HE ARG 719 -12.088 14.302 -1.388 636 1HH1 ARG 719 2HH1 ARG 719 -11.023 17.596 -1.020 637 2HH1 ARG 719 1HH1 ARG 719 -10.189 17.633 -2.538 638 1HH2 ARG 719 2HH2 ARG 719 -10.993 14.339 -3.388 639 2HH2 ARG 719 1HH2 ARG 719 -10.173 15.780 -3.885 640 H SER 720 H SER 720 -15.194 16.870 2.771 641 HA SER 720 HA SER 720 -17.747 17.594 3.449 642 1HB SER 720 1HB SER 720 -15.390 18.203 4.492 643 2HB SER 720 2HB SER 720 -15.633 19.703 3.597 644 HG SER 720 HG SER 720 -17.743 18.738 5.155 645 H GLY 721 H GLY 721 -18.940 19.603 3.140 646 1HA GLY 721 1HA GLY 721 -19.573 20.154 0.520 647 2HA GLY 721 2HA GLY 721 -19.882 21.258 1.852 648 HA PRO 722 HA PRO 722 -16.340 22.643 -1.121 649 1HB PRO 722 1HB PRO 722 -17.724 23.883 -3.100 650 2HB PRO 722 2HB PRO 722 -17.240 22.185 -3.185 651 1HG PRO 722 1HG PRO 722 -19.888 23.364 -2.437 652 2HG PRO 722 2HG PRO 722 -19.537 21.966 -3.470 653 1HD PRO 722 1HD PRO 722 -20.325 21.712 -0.892 654 2HD PRO 722 2HD PRO 722 -19.224 20.558 -1.672 655 H SER 723 H SER 723 -15.995 24.995 -1.842 656 HA SER 723 HA SER 723 -17.646 27.057 -0.854 657 1HB SER 723 1HB SER 723 -16.288 27.809 1.055 658 2HB SER 723 2HB SER 723 -16.947 26.198 1.340 659 HG SER 723 HG SER 723 -14.987 25.342 1.169 660 H SER 724 H SER 724 -16.366 29.191 -0.733 661 HA SER 724 HA SER 724 -14.754 29.329 -3.133 662 1HB SER 724 1HB SER 724 -16.537 31.004 -2.641 663 2HB SER 724 2HB SER 724 -15.583 31.566 -1.269 664 HG SER 724 HG SER 724 -15.404 32.441 -3.684 665 H GLY 725 H GLY 725 -12.786 28.395 -2.632 666 1HA GLY 725 1HA GLY 725 -11.258 28.653 -0.367 667 2HA GLY 725 2HA GLY 725 -10.582 28.464 -1.978 Start of MODEL 6 1 1H GLY 644 H GLY 644 -21.303 -20.516 8.426 2 1HA GLY 644 1HA GLY 644 -20.051 -20.073 10.329 3 2HA GLY 644 2HA GLY 644 -20.655 -21.565 11.036 4 H SER 645 H SER 645 -18.297 -21.517 11.732 5 HA SER 645 HA SER 645 -16.445 -22.404 9.665 6 1HB SER 645 1HB SER 645 -15.633 -20.775 11.302 7 2HB SER 645 2HB SER 645 -16.015 -21.884 12.618 8 HG SER 645 HG SER 645 -13.780 -21.903 11.939 9 H SER 646 H SER 646 -15.127 -24.334 10.002 10 HA SER 646 HA SER 646 -16.613 -26.448 11.420 11 1HB SER 646 1HB SER 646 -16.812 -26.753 9.013 12 2HB SER 646 2HB SER 646 -15.062 -26.648 8.827 13 HG SER 646 HG SER 646 -16.497 -28.803 9.286 14 H GLY 647 H GLY 647 -13.398 -25.484 10.241 15 1HA GLY 647 1HA GLY 647 -11.878 -25.606 12.408 16 2HA GLY 647 2HA GLY 647 -12.132 -27.321 12.123 17 H SER 648 H SER 648 -9.905 -25.059 11.772 18 HA SER 648 HA SER 648 -8.792 -26.320 9.363 19 1HB SER 648 1HB SER 648 -8.925 -23.362 9.963 20 2HB SER 648 2HB SER 648 -7.821 -24.048 8.771 21 HG SER 648 HG SER 648 -10.537 -24.715 8.634 22 H SER 649 H SER 649 -6.874 -27.181 9.760 23 HA SER 649 HA SER 649 -5.449 -26.450 12.191 24 1HB SER 649 1HB SER 649 -4.004 -28.422 11.591 25 2HB SER 649 2HB SER 649 -5.708 -28.814 11.824 26 HG SER 649 HG SER 649 -5.815 -29.420 9.817 27 H GLY 650 H GLY 650 -4.516 -27.025 8.789 28 1HA GLY 650 1HA GLY 650 -2.989 -25.954 7.449 29 2HA GLY 650 2HA GLY 650 -3.115 -24.579 8.536 30 H ALA 651 H ALA 651 -1.492 -27.663 8.008 31 HA ALA 651 HA ALA 651 0.608 -26.843 9.896 32 1HB ALA 651 1HB ALA 651 1.090 -29.055 10.295 33 2HB ALA 651 2HB ALA 651 -0.647 -29.134 10.000 34 3HB ALA 651 3HB ALA 651 0.484 -29.583 8.724 35 H ARG 652 H ARG 652 2.024 -25.614 8.779 36 HA ARG 652 HA ARG 652 3.294 -26.851 6.435 37 1HB ARG 652 1HB ARG 652 1.735 -25.061 5.706 38 2HB ARG 652 2HB ARG 652 2.631 -23.913 6.693 39 1HG ARG 652 1HG ARG 652 4.664 -24.504 5.327 40 2HG ARG 652 2HG ARG 652 3.574 -25.373 4.244 41 1HD ARG 652 1HD ARG 652 3.121 -22.498 4.985 42 2HD ARG 652 2HD ARG 652 4.173 -22.958 3.646 43 HE ARG 652 HE ARG 652 1.300 -23.049 3.706 44 1HH1 ARG 652 2HH1 ARG 652 4.179 -24.336 2.231 45 2HH1 ARG 652 1HH1 ARG 652 3.376 -24.808 0.770 46 1HH2 ARG 652 2HH2 ARG 652 0.232 -23.666 1.788 47 2HH2 ARG 652 1HH2 ARG 652 1.131 -24.426 0.518 48 H GLU 653 H GLU 653 5.246 -27.383 7.200 49 HA GLU 653 HA GLU 653 6.628 -25.622 9.061 50 1HB GLU 653 1HB GLU 653 6.500 -28.255 9.091 51 2HB GLU 653 2HB GLU 653 7.849 -28.124 7.971 52 1HG GLU 653 1HG GLU 653 8.821 -28.368 10.081 53 2HG GLU 653 2HG GLU 653 8.961 -26.651 9.706 54 H ARG 654 H ARG 654 6.268 -24.498 6.534 55 HA ARG 654 HA ARG 654 9.045 -24.410 5.559 56 1HB ARG 654 1HB ARG 654 6.580 -24.085 3.842 57 2HB ARG 654 2HB ARG 654 8.251 -24.096 3.295 58 1HG ARG 654 1HG ARG 654 7.240 -26.475 4.758 59 2HG ARG 654 2HG ARG 654 6.712 -26.222 3.093 60 1HD ARG 654 1HD ARG 654 8.623 -27.534 2.870 61 2HD ARG 654 2HD ARG 654 9.207 -25.897 2.571 62 HE ARG 654 HE ARG 654 9.439 -26.754 5.311 63 1HH1 ARG 654 2HH1 ARG 654 10.961 -26.664 2.182 64 2HH1 ARG 654 1HH1 ARG 654 12.565 -26.836 2.812 65 1HH2 ARG 654 2HH2 ARG 654 11.546 -26.981 6.154 66 2HH2 ARG 654 1HH2 ARG 654 12.897 -27.017 5.072 67 H ALA 655 H ALA 655 9.787 -22.385 4.805 68 HA ALA 655 HA ALA 655 8.312 -20.121 5.949 69 1HB ALA 655 1HB ALA 655 11.103 -20.845 5.821 70 2HB ALA 655 2HB ALA 655 10.833 -19.222 5.183 71 3HB ALA 655 3HB ALA 655 10.300 -19.628 6.814 72 H ILE 656 H ILE 656 7.526 -21.245 3.425 73 HA ILE 656 HA ILE 656 8.386 -19.198 1.505 74 HB ILE 656 HB ILE 656 6.854 -21.758 1.033 75 1HG1 ILE 656 1HG1 ILE 656 9.655 -21.082 0.139 76 2HG1 ILE 656 2HG1 ILE 656 9.326 -21.895 1.665 77 1HG2 ILE 656 1HG2 ILE 656 6.356 -19.822 -0.513 78 2HG2 ILE 656 2HG2 ILE 656 8.033 -19.931 -1.043 79 3HG2 ILE 656 3HG2 ILE 656 6.942 -21.296 -1.283 80 1HD1 ILE 656 1HD1 ILE 656 9.938 -23.359 -0.296 81 2HD1 ILE 656 2HD1 ILE 656 8.470 -23.796 0.580 82 3HD1 ILE 656 3HD1 ILE 656 8.358 -22.958 -0.967 83 H VAL 657 H VAL 657 7.168 -17.418 1.777 84 HA VAL 657 HA VAL 657 4.263 -17.727 2.085 85 HB VAL 657 HB VAL 657 6.025 -15.315 2.537 86 1HG1 VAL 657 1HG1 VAL 657 3.800 -14.500 3.626 87 2HG1 VAL 657 2HG1 VAL 657 4.040 -14.340 1.885 88 3HG1 VAL 657 3HG1 VAL 657 3.059 -15.660 2.523 89 1HG2 VAL 657 1HG2 VAL 657 4.411 -16.403 4.731 90 2HG2 VAL 657 2HG2 VAL 657 5.696 -17.470 4.164 91 3HG2 VAL 657 3HG2 VAL 657 6.083 -15.842 4.721 92 HA PRO 658 HA PRO 658 3.860 -16.618 -2.202 93 1HB PRO 658 1HB PRO 658 1.149 -16.483 -2.216 94 2HB PRO 658 2HB PRO 658 2.035 -18.013 -2.225 95 1HG PRO 658 1HG PRO 658 0.748 -16.584 0.069 96 2HG PRO 658 2HG PRO 658 0.730 -18.313 -0.324 97 1HD PRO 658 1HD PRO 658 2.368 -17.265 1.560 98 2HD PRO 658 2HD PRO 658 2.823 -18.668 0.572 99 H LEU 659 H LEU 659 2.964 -14.850 -3.467 100 HA LEU 659 HA LEU 659 3.429 -12.333 -2.353 101 1HB LEU 659 1HB LEU 659 3.643 -12.510 -4.674 102 2HB LEU 659 2HB LEU 659 2.054 -13.251 -4.853 103 HG LEU 659 HG LEU 659 1.156 -10.953 -4.072 104 1HD1 LEU 659 1HD1 LEU 659 2.676 -9.100 -4.842 105 2HD1 LEU 659 2HD1 LEU 659 3.984 -10.282 -4.846 106 3HD1 LEU 659 3HD1 LEU 659 3.146 -9.900 -3.342 107 1HD2 LEU 659 1HD2 LEU 659 2.324 -11.618 -6.748 108 2HD2 LEU 659 2HD2 LEU 659 1.503 -10.081 -6.475 109 3HD2 LEU 659 3HD2 LEU 659 0.635 -11.599 -6.242 110 H GLU 660 H GLU 660 0.348 -13.942 -3.109 111 HA GLU 660 HA GLU 660 -1.380 -11.914 -2.329 112 1HB GLU 660 1HB GLU 660 -1.994 -14.065 -3.485 113 2HB GLU 660 2HB GLU 660 -1.874 -14.865 -1.924 114 1HG GLU 660 1HG GLU 660 -3.680 -13.579 -1.045 115 2HG GLU 660 2HG GLU 660 -3.717 -12.556 -2.480 116 H ALA 661 H ALA 661 0.269 -14.346 -0.391 117 HA ALA 661 HA ALA 661 -1.099 -13.898 2.030 118 1HB ALA 661 1HB ALA 661 1.135 -14.813 3.005 119 2HB ALA 661 2HB ALA 661 0.111 -15.862 2.024 120 3HB ALA 661 3HB ALA 661 1.537 -15.106 1.313 121 H ARG 662 H ARG 662 2.232 -12.884 1.236 122 HA ARG 662 HA ARG 662 2.602 -11.139 3.337 123 1HB ARG 662 1HB ARG 662 4.253 -9.978 1.811 124 2HB ARG 662 2HB ARG 662 4.478 -11.711 2.002 125 1HG ARG 662 1HG ARG 662 3.075 -11.902 -0.154 126 2HG ARG 662 2HG ARG 662 3.461 -10.193 -0.362 127 1HD ARG 662 1HD ARG 662 5.909 -11.075 0.155 128 2HD ARG 662 2HD ARG 662 5.231 -12.575 -0.476 129 HE ARG 662 HE ARG 662 4.581 -10.527 -2.253 130 1HH1 ARG 662 2HH1 ARG 662 7.404 -12.188 -1.074 131 2HH1 ARG 662 1HH1 ARG 662 8.310 -11.956 -2.532 132 1HH2 ARG 662 2HH2 ARG 662 5.763 -10.215 -4.179 133 2HH2 ARG 662 1HH2 ARG 662 7.376 -10.833 -4.298 134 H MET 663 H MET 663 1.329 -10.398 0.100 135 HA MET 663 HA MET 663 0.976 -7.659 0.421 136 1HB MET 663 1HB MET 663 -0.415 -9.722 -1.256 137 2HB MET 663 2HB MET 663 -0.969 -8.053 -1.261 138 1HG MET 663 1HG MET 663 1.362 -7.379 -1.879 139 2HG MET 663 2HG MET 663 1.728 -9.090 -2.082 140 1HE MET 663 1HE MET 663 1.433 -6.207 -3.550 141 2HE MET 663 2HE MET 663 1.768 -6.947 -5.115 142 3HE MET 663 3HE MET 663 0.226 -6.138 -4.834 143 H LYS 664 H LYS 664 -1.292 -10.305 1.115 144 HA LYS 664 HA LYS 664 -3.494 -8.830 1.896 145 1HB LYS 664 1HB LYS 664 -2.440 -11.512 2.737 146 2HB LYS 664 2HB LYS 664 -3.881 -10.848 3.497 147 1HG LYS 664 1HG LYS 664 -3.745 -10.933 0.527 148 2HG LYS 664 2HG LYS 664 -4.046 -12.430 1.412 149 1HD LYS 664 1HD LYS 664 -6.180 -11.573 0.954 150 2HD LYS 664 2HD LYS 664 -5.876 -11.129 2.635 151 1HE LYS 664 1HE LYS 664 -5.544 -8.894 2.116 152 2HE LYS 664 2HE LYS 664 -5.170 -9.237 0.428 153 1HZ LYS 664 1HZ LYS 664 -7.724 -8.797 1.697 154 2HZ LYS 664 2HZ LYS 664 -7.701 -10.117 0.640 155 3HZ LYS 664 3HZ LYS 664 -7.265 -8.580 0.083 156 H GLN 665 H GLN 665 -0.726 -9.861 3.864 157 HA GLN 665 HA GLN 665 -1.609 -8.888 6.325 158 1HB GLN 665 1HB GLN 665 1.253 -8.964 5.364 159 2HB GLN 665 2HB GLN 665 0.701 -8.980 7.033 160 1HG GLN 665 1HG GLN 665 -0.395 -11.157 6.600 161 2HG GLN 665 2HG GLN 665 0.306 -11.145 4.983 162 1HE2 GLN 665 1HE2 GLN 665 0.875 -11.619 8.346 163 2HE2 GLN 665 2HE2 GLN 665 2.502 -12.183 8.213 164 H PHE 666 H PHE 666 0.753 -7.321 4.155 165 HA PHE 666 HA PHE 666 1.020 -4.914 5.400 166 1HB PHE 666 1HB PHE 666 2.107 -5.763 3.224 167 2HB PHE 666 2HB PHE 666 0.719 -5.051 2.407 168 HD1 PHE 666 1HD PHE 666 3.714 -4.346 4.411 169 HD2 PHE 666 2HD PHE 666 0.494 -2.686 2.177 170 HE1 PHE 666 1HE PHE 666 4.837 -2.157 4.426 171 HE2 PHE 666 2HE PHE 666 1.612 -0.495 2.187 172 HZ PHE 666 HZ PHE 666 3.787 -0.228 3.311 173 H LYS 667 H LYS 667 -1.404 -5.615 2.880 174 HA LYS 667 HA LYS 667 -2.750 -3.190 2.952 175 1HB LYS 667 1HB LYS 667 -3.036 -5.194 1.354 176 2HB LYS 667 2HB LYS 667 -4.177 -5.807 2.544 177 1HG LYS 667 1HG LYS 667 -5.594 -3.900 2.266 178 2HG LYS 667 2HG LYS 667 -4.400 -3.106 1.236 179 1HD LYS 667 1HD LYS 667 -4.658 -5.242 -0.236 180 2HD LYS 667 2HD LYS 667 -6.183 -5.430 0.632 181 1HE LYS 667 1HE LYS 667 -5.483 -2.805 -0.616 182 2HE LYS 667 2HE LYS 667 -6.116 -4.113 -1.615 183 1HZ LYS 667 1HZ LYS 667 -7.436 -2.738 0.647 184 2HZ LYS 667 2HZ LYS 667 -7.984 -4.230 0.067 185 3HZ LYS 667 3HZ LYS 667 -7.972 -2.879 -0.951 186 H ASP 668 H ASP 668 -3.404 -6.144 4.818 187 HA ASP 668 HA ASP 668 -5.660 -5.406 6.184 188 1HB ASP 668 1HB ASP 668 -4.561 -7.618 6.367 189 2HB ASP 668 2HB ASP 668 -3.301 -6.892 7.360 190 H MET 669 H MET 669 -2.314 -4.529 6.924 191 HA MET 669 HA MET 669 -2.885 -3.177 9.346 192 1HB MET 669 1HB MET 669 -0.570 -2.354 7.656 193 2HB MET 669 2HB MET 669 -0.651 -2.614 9.393 194 1HG MET 669 1HG MET 669 -0.902 -5.080 8.866 195 2HG MET 669 2HG MET 669 -0.441 -4.665 7.216 196 1HE MET 669 1HE MET 669 2.287 -2.278 8.309 197 2HE MET 669 2HE MET 669 2.967 -3.490 7.223 198 3HE MET 669 3HE MET 669 1.340 -2.867 6.942 199 H LEU 670 H LEU 670 -1.922 -1.789 6.200 200 HA LEU 670 HA LEU 670 -2.303 0.838 6.597 201 1HB LEU 670 1HB LEU 670 -3.377 -0.627 4.192 202 2HB LEU 670 2HB LEU 670 -2.926 1.075 4.268 203 HG LEU 670 HG LEU 670 -0.981 -1.202 4.622 204 1HD1 LEU 670 1HD1 LEU 670 -2.150 -0.044 2.222 205 2HD1 LEU 670 2HD1 LEU 670 -1.199 -1.515 2.425 206 3HD1 LEU 670 3HD1 LEU 670 -0.388 0.041 2.246 207 1HD2 LEU 670 1HD2 LEU 670 0.589 0.341 5.000 208 2HD2 LEU 670 2HD2 LEU 670 -0.750 1.439 5.334 209 3HD2 LEU 670 3HD2 LEU 670 -0.020 1.401 3.728 210 H LEU 671 H LEU 671 -4.855 -1.553 6.292 211 HA LEU 671 HA LEU 671 -6.955 0.433 6.320 212 1HB LEU 671 1HB LEU 671 -7.031 -1.821 5.141 213 2HB LEU 671 2HB LEU 671 -7.273 -2.526 6.738 214 HG LEU 671 HG LEU 671 -9.325 -1.081 6.945 215 1HD1 LEU 671 1HD1 LEU 671 -9.382 -0.823 3.995 216 2HD1 LEU 671 2HD1 LEU 671 -8.391 0.325 4.893 217 3HD1 LEU 671 3HD1 LEU 671 -10.114 0.190 5.239 218 1HD2 LEU 671 1HD2 LEU 671 -9.074 -3.558 6.039 219 2HD2 LEU 671 2HD2 LEU 671 -9.700 -2.817 4.566 220 3HD2 LEU 671 3HD2 LEU 671 -10.629 -2.727 6.063 221 H GLU 672 H GLU 672 -5.975 -2.218 8.499 222 HA GLU 672 HA GLU 672 -7.671 -1.624 10.610 223 1HB GLU 672 1HB GLU 672 -5.058 -3.031 10.363 224 2HB GLU 672 2HB GLU 672 -5.615 -2.618 11.978 225 1HG GLU 672 1HG GLU 672 -6.922 -4.407 9.959 226 2HG GLU 672 2HG GLU 672 -6.360 -4.806 11.581 227 H ARG 673 H ARG 673 -4.203 -0.786 10.488 228 HA ARG 673 HA ARG 673 -4.028 0.843 12.659 229 1HB ARG 673 1HB ARG 673 -2.650 0.845 10.012 230 2HB ARG 673 2HB ARG 673 -2.374 2.203 11.094 231 1HG ARG 673 1HG ARG 673 -1.928 -0.688 11.806 232 2HG ARG 673 2HG ARG 673 -0.671 0.445 11.307 233 1HD ARG 673 1HD ARG 673 -0.472 0.647 13.567 234 2HD ARG 673 2HD ARG 673 -1.696 1.882 13.277 235 HE ARG 673 HE ARG 673 -3.082 -0.452 13.734 236 1HH1 ARG 673 2HH1 ARG 673 -0.794 1.513 15.475 237 2HH1 ARG 673 1HH1 ARG 673 -1.419 1.089 17.034 238 1HH2 ARG 673 2HH2 ARG 673 -3.913 -1.017 15.782 239 2HH2 ARG 673 1HH2 ARG 673 -3.193 -0.351 17.208 240 H GLY 674 H GLY 674 -5.565 1.561 9.611 241 1HA GLY 674 1HA GLY 674 -7.231 3.189 9.308 242 2HA GLY 674 2HA GLY 674 -6.702 3.975 10.788 243 H VAL 675 H VAL 675 -4.554 3.050 8.170 244 HA VAL 675 HA VAL 675 -3.259 5.510 8.034 245 HB VAL 675 HB VAL 675 -3.488 3.300 5.999 246 1HG1 VAL 675 1HG1 VAL 675 -2.670 4.661 4.446 247 2HG1 VAL 675 2HG1 VAL 675 -2.557 5.987 5.605 248 3HG1 VAL 675 3HG1 VAL 675 -1.221 4.849 5.433 249 1HG2 VAL 675 1HG2 VAL 675 -1.147 2.877 6.673 250 2HG2 VAL 675 2HG2 VAL 675 -1.291 4.153 7.882 251 3HG2 VAL 675 3HG2 VAL 675 -2.286 2.703 8.008 252 H SER 676 H SER 676 -4.028 7.414 7.427 253 HA SER 676 HA SER 676 -6.422 7.673 5.878 254 1HB SER 676 1HB SER 676 -4.441 9.769 6.801 255 2HB SER 676 2HB SER 676 -6.019 10.107 6.090 256 HG SER 676 HG SER 676 -5.851 8.421 8.326 257 H ALA 677 H ALA 677 -6.672 8.466 3.802 258 HA ALA 677 HA ALA 677 -4.453 7.963 2.020 259 1HB ALA 677 1HB ALA 677 -6.867 7.294 1.597 260 2HB ALA 677 2HB ALA 677 -7.161 8.993 1.224 261 3HB ALA 677 3HB ALA 677 -6.011 8.066 0.261 262 H PHE 678 H PHE 678 -6.125 10.712 3.354 263 HA PHE 678 HA PHE 678 -5.065 12.611 1.481 264 1HB PHE 678 1HB PHE 678 -6.326 13.063 4.194 265 2HB PHE 678 2HB PHE 678 -6.021 14.302 2.981 266 HD1 PHE 678 1HD PHE 678 -6.987 13.452 0.538 267 HD2 PHE 678 2HD PHE 678 -8.527 12.489 4.387 268 HE1 PHE 678 1HE PHE 678 -9.196 13.025 -0.457 269 HE2 PHE 678 2HE PHE 678 -10.738 12.059 3.398 270 HZ PHE 678 HZ PHE 678 -11.076 12.326 0.974 271 H SER 679 H SER 679 -3.623 10.846 3.833 272 HA SER 679 HA SER 679 -1.877 12.946 4.843 273 1HB SER 679 1HB SER 679 -2.293 10.048 5.496 274 2HB SER 679 2HB SER 679 -0.801 10.848 5.989 275 HG SER 679 HG SER 679 -2.655 10.883 7.508 276 H THR 680 H THR 680 0.545 11.979 5.044 277 HA THR 680 HA THR 680 1.373 11.530 2.260 278 HB THR 680 HB THR 680 3.547 12.428 2.883 279 HG1 THR 680 1HG THR 680 2.443 12.280 5.468 280 1HG2 THR 680 1HG2 THR 680 1.737 14.416 4.143 281 2HG2 THR 680 2HG2 THR 680 1.347 13.891 2.505 282 3HG2 THR 680 3HG2 THR 680 2.916 14.619 2.848 283 H TRP 681 H TRP 681 3.288 10.174 1.904 284 HA TRP 681 HA TRP 681 2.993 7.633 3.093 285 1HB TRP 681 1HB TRP 681 3.834 7.600 0.908 286 2HB TRP 681 2HB TRP 681 5.028 8.849 1.248 287 HD1 TRP 681 HD TRP 681 7.416 8.036 1.755 288 HE1 TRP 681 1HE TRP 681 8.509 5.754 2.223 289 HE3 TRP 681 3HE TRP 681 3.196 5.172 2.102 290 HZ2 TRP 681 2HZ TRP 681 7.691 3.091 2.678 291 HZ3 TRP 681 3HZ TRP 681 3.438 2.766 2.556 292 HH2 TRP 681 HH TRP 681 5.639 1.748 2.837 293 H GLU 682 H GLU 682 4.971 10.377 3.868 294 HA GLU 682 HA GLU 682 6.981 9.115 5.365 295 1HB GLU 682 1HB GLU 682 5.792 11.875 5.431 296 2HB GLU 682 2HB GLU 682 7.033 11.396 6.581 297 1HG GLU 682 1HG GLU 682 8.496 10.808 4.656 298 2HG GLU 682 2HG GLU 682 7.272 11.486 3.585 299 H LYS 683 H LYS 683 4.045 10.760 6.553 300 HA LYS 683 HA LYS 683 4.279 10.026 9.223 301 1HB LYS 683 1HB LYS 683 2.024 10.859 7.465 302 2HB LYS 683 2HB LYS 683 1.623 10.162 9.028 303 1HG LYS 683 1HG LYS 683 2.676 11.886 10.200 304 2HG LYS 683 2HG LYS 683 3.579 12.419 8.780 305 1HD LYS 683 1HD LYS 683 1.168 12.826 7.807 306 2HD LYS 683 2HD LYS 683 0.729 12.897 9.515 307 1HE LYS 683 1HE LYS 683 3.057 14.479 8.512 308 2HE LYS 683 2HE LYS 683 1.418 15.070 8.241 309 1HZ LYS 683 1HZ LYS 683 1.763 14.229 10.931 310 2HZ LYS 683 2HZ LYS 683 1.289 15.740 10.336 311 3HZ LYS 683 3HZ LYS 683 2.932 15.381 10.517 312 H GLU 684 H GLU 684 2.201 8.477 6.766 313 HA GLU 684 HA GLU 684 1.389 6.314 8.314 314 1HB GLU 684 1HB GLU 684 1.852 6.262 5.329 315 2HB GLU 684 2HB GLU 684 0.760 5.236 6.249 316 1HG GLU 684 1HG GLU 684 0.492 8.220 5.964 317 2HG GLU 684 2HG GLU 684 -0.394 7.025 5.017 318 H LEU 685 H LEU 685 4.189 6.617 6.160 319 HA LEU 685 HA LEU 685 5.175 4.071 6.161 320 1HB LEU 685 1HB LEU 685 6.336 5.624 4.875 321 2HB LEU 685 2HB LEU 685 6.534 6.736 6.227 322 HG LEU 685 HG LEU 685 8.055 4.847 7.194 323 1HD1 LEU 685 1HD1 LEU 685 7.457 3.211 5.445 324 2HD1 LEU 685 2HD1 LEU 685 9.189 3.530 5.525 325 3HD1 LEU 685 3HD1 LEU 685 8.218 4.254 4.243 326 1HD2 LEU 685 1HD2 LEU 685 8.590 6.968 5.207 327 2HD2 LEU 685 2HD2 LEU 685 9.886 5.805 5.487 328 3HD2 LEU 685 3HD2 LEU 685 9.236 6.742 6.833 329 H HIS 686 H HIS 686 6.208 6.556 8.507 330 HA HIS 686 HA HIS 686 7.592 4.818 10.199 331 1HB HIS 686 1HB HIS 686 7.753 6.604 11.701 332 2HB HIS 686 2HB HIS 686 7.563 7.405 10.144 333 HD1 HIS 686 1HD HIS 686 5.847 9.180 10.101 334 HD2 HIS 686 2HD HIS 686 5.111 6.396 13.095 335 HE1 HIS 686 1HE HIS 686 3.836 10.043 11.342 336 H LYS 687 H LYS 687 4.196 5.582 9.979 337 HA LYS 687 HA LYS 687 3.426 4.523 12.500 338 1HB LYS 687 1HB LYS 687 1.931 5.129 9.960 339 2HB LYS 687 2HB LYS 687 1.132 4.390 11.341 340 1HG LYS 687 1HG LYS 687 1.879 6.331 12.718 341 2HG LYS 687 2HG LYS 687 2.466 7.085 11.233 342 1HD LYS 687 1HD LYS 687 0.219 7.042 10.301 343 2HD LYS 687 2HD LYS 687 -0.382 6.223 11.744 344 1HE LYS 687 1HE LYS 687 1.046 8.822 12.045 345 2HE LYS 687 2HE LYS 687 -0.617 8.827 11.461 346 1HZ LYS 687 1HZ LYS 687 -1.374 8.417 13.493 347 2HZ LYS 687 2HZ LYS 687 0.184 8.724 14.073 348 3HZ LYS 687 3HZ LYS 687 -0.295 7.137 13.736 349 H ILE 688 H ILE 688 4.272 3.093 9.498 350 HA ILE 688 HA ILE 688 3.337 0.478 10.485 351 HB ILE 688 HB ILE 688 3.026 -0.274 8.212 352 1HG1 ILE 688 1HG1 ILE 688 3.678 2.516 7.264 353 2HG1 ILE 688 2HG1 ILE 688 4.872 1.224 7.298 354 1HG2 ILE 688 1HG2 ILE 688 1.421 1.890 7.590 355 2HG2 ILE 688 2HG2 ILE 688 0.967 0.497 8.570 356 3HG2 ILE 688 3HG2 ILE 688 1.568 1.962 9.346 357 1HD1 ILE 688 1HD1 ILE 688 2.820 0.041 5.963 358 2HD1 ILE 688 2HD1 ILE 688 2.686 1.717 5.430 359 3HD1 ILE 688 3HD1 ILE 688 4.199 0.839 5.209 360 H VAL 689 H VAL 689 5.984 2.227 10.301 361 HA VAL 689 HA VAL 689 7.789 0.464 8.928 362 HB VAL 689 HB VAL 689 8.075 2.997 9.336 363 1HG1 VAL 689 1HG1 VAL 689 9.576 2.218 11.782 364 2HG1 VAL 689 2HG1 VAL 689 8.867 3.771 11.337 365 3HG1 VAL 689 3HG1 VAL 689 7.835 2.460 11.910 366 1HG2 VAL 689 1HG2 VAL 689 10.445 1.230 9.917 367 2HG2 VAL 689 2HG2 VAL 689 9.740 1.431 8.314 368 3HG2 VAL 689 3HG2 VAL 689 10.449 2.816 9.144 369 H PHE 690 H PHE 690 6.622 0.843 12.187 370 HA PHE 690 HA PHE 690 8.665 -0.665 13.469 371 1HB PHE 690 1HB PHE 690 7.357 -0.511 15.421 372 2HB PHE 690 2HB PHE 690 6.997 0.969 14.538 373 HD1 PHE 690 1HD PHE 690 5.721 -2.357 15.464 374 HD2 PHE 690 2HD PHE 690 4.814 1.421 13.726 375 HE1 PHE 690 1HE PHE 690 3.322 -2.895 15.555 376 HE2 PHE 690 2HE PHE 690 2.413 0.889 13.815 377 HZ PHE 690 HZ PHE 690 1.664 -1.270 14.731 378 H ASP 691 H ASP 691 5.432 -1.461 12.258 379 HA ASP 691 HA ASP 691 5.228 -4.075 13.139 380 1HB ASP 691 1HB ASP 691 3.500 -2.651 11.886 381 2HB ASP 691 2HB ASP 691 4.284 -3.212 10.411 382 HA PRO 692 HA PRO 692 8.406 -6.259 11.006 383 1HB PRO 692 1HB PRO 692 7.401 -8.768 11.249 384 2HB PRO 692 2HB PRO 692 8.134 -7.893 12.598 385 1HG PRO 692 1HG PRO 692 5.240 -8.252 11.923 386 2HG PRO 692 2HG PRO 692 6.041 -8.350 13.502 387 1HD PRO 692 1HD PRO 692 4.674 -6.156 12.696 388 2HD PRO 692 2HD PRO 692 6.093 -6.060 13.759 389 H ARG 693 H ARG 693 5.020 -6.807 10.153 390 HA ARG 693 HA ARG 693 5.369 -8.237 7.791 391 1HB ARG 693 1HB ARG 693 3.232 -6.269 8.610 392 2HB ARG 693 2HB ARG 693 3.148 -7.213 7.129 393 1HG ARG 693 1HG ARG 693 2.933 -9.232 8.290 394 2HG ARG 693 2HG ARG 693 3.487 -8.517 9.806 395 1HD ARG 693 1HD ARG 693 1.035 -7.413 8.535 396 2HD ARG 693 2HD ARG 693 0.926 -8.979 9.337 397 HE ARG 693 HE ARG 693 1.061 -6.450 10.594 398 1HH1 ARG 693 2HH1 ARG 693 2.209 -9.723 10.903 399 2HH1 ARG 693 1HH1 ARG 693 2.361 -9.645 12.627 400 1HH2 ARG 693 2HH2 ARG 693 1.257 -6.336 12.864 401 2HH2 ARG 693 1HH2 ARG 693 1.818 -7.719 13.741 402 H TYR 694 H TYR 694 5.941 -4.903 8.484 403 HA TYR 694 HA TYR 694 5.765 -3.863 5.863 404 1HB TYR 694 1HB TYR 694 5.753 -2.371 7.763 405 2HB TYR 694 2HB TYR 694 7.345 -2.929 8.266 406 HD1 TYR 694 1HD TYR 694 9.332 -2.402 6.801 407 HD2 TYR 694 2HD TYR 694 5.517 -0.613 6.210 408 HE1 TYR 694 1HE TYR 694 10.381 -0.618 5.473 409 HE2 TYR 694 2HE TYR 694 6.556 1.176 4.879 410 HH TYR 694 HH TYR 694 10.025 1.507 4.636 411 H LEU 695 H LEU 695 8.055 -5.892 7.367 412 HA LEU 695 HA LEU 695 10.070 -5.288 5.312 413 1HB LEU 695 1HB LEU 695 10.393 -6.880 7.850 414 2HB LEU 695 2HB LEU 695 11.673 -6.415 6.731 415 HG LEU 695 HG LEU 695 10.043 -4.354 8.183 416 1HD1 LEU 695 1HD1 LEU 695 11.700 -4.298 9.931 417 2HD1 LEU 695 2HD1 LEU 695 12.600 -5.609 9.168 418 3HD1 LEU 695 3HD1 LEU 695 11.000 -5.914 9.842 419 1HD2 LEU 695 1HD2 LEU 695 11.467 -2.880 7.294 420 2HD2 LEU 695 2HD2 LEU 695 11.904 -4.174 6.177 421 3HD2 LEU 695 3HD2 LEU 695 12.870 -3.896 7.628 422 H LEU 696 H LEU 696 7.573 -6.947 5.072 423 HA LEU 696 HA LEU 696 8.770 -9.560 4.467 424 1HB LEU 696 1HB LEU 696 5.928 -8.672 4.877 425 2HB LEU 696 2HB LEU 696 6.337 -10.244 4.193 426 HG LEU 696 HG LEU 696 7.178 -9.297 6.931 427 1HD1 LEU 696 1HD1 LEU 696 5.381 -10.371 7.863 428 2HD1 LEU 696 2HD1 LEU 696 5.146 -11.426 6.469 429 3HD1 LEU 696 3HD1 LEU 696 4.652 -9.735 6.388 430 1HD2 LEU 696 1HD2 LEU 696 7.565 -11.791 7.206 431 2HD2 LEU 696 2HD2 LEU 696 8.716 -10.919 6.192 432 3HD2 LEU 696 3HD2 LEU 696 7.450 -11.898 5.449 433 H LEU 697 H LEU 697 7.199 -6.793 3.050 434 HA LEU 697 HA LEU 697 7.198 -8.091 0.417 435 1HB LEU 697 1HB LEU 697 5.770 -5.722 1.558 436 2HB LEU 697 2HB LEU 697 5.960 -5.892 -0.186 437 HG LEU 697 HG LEU 697 4.672 -8.012 1.517 438 1HD1 LEU 697 1HD1 LEU 697 2.776 -6.866 1.653 439 2HD1 LEU 697 2HD1 LEU 697 2.831 -6.453 -0.060 440 3HD1 LEU 697 3HD1 LEU 697 3.670 -5.443 1.118 441 1HD2 LEU 697 1HD2 LEU 697 3.558 -8.256 -0.880 442 2HD2 LEU 697 2HD2 LEU 697 5.088 -9.035 -0.473 443 3HD2 LEU 697 3HD2 LEU 697 5.082 -7.523 -1.381 444 H ASN 698 H ASN 698 8.143 -7.058 -1.390 445 HA ASN 698 HA ASN 698 10.680 -6.044 -1.054 446 1HB ASN 698 1HB ASN 698 8.733 -6.077 -3.302 447 2HB ASN 698 2HB ASN 698 10.114 -4.994 -3.454 448 1HD2 ASN 698 1HD2 ASN 698 9.215 -7.659 -4.679 449 2HD2 ASN 698 2HD2 ASN 698 10.646 -8.625 -4.618 450 HA PRO 699 HA PRO 699 10.420 -1.781 -0.054 451 1HB PRO 699 1HB PRO 699 12.360 -0.681 -1.602 452 2HB PRO 699 2HB PRO 699 12.712 -1.696 -0.198 453 1HG PRO 699 1HG PRO 699 12.686 -2.422 -3.103 454 2HG PRO 699 2HG PRO 699 13.854 -2.874 -1.847 455 1HD PRO 699 1HD PRO 699 11.900 -4.548 -2.690 456 2HD PRO 699 2HD PRO 699 12.507 -4.552 -1.021 457 H LYS 700 H LYS 700 10.510 -2.450 -3.533 458 HA LYS 700 HA LYS 700 9.430 0.075 -4.301 459 1HB LYS 700 1HB LYS 700 10.018 -2.509 -5.666 460 2HB LYS 700 2HB LYS 700 8.905 -1.398 -6.454 461 1HG LYS 700 1HG LYS 700 10.991 -0.883 -7.357 462 2HG LYS 700 2HG LYS 700 10.716 0.370 -6.144 463 1HD LYS 700 1HD LYS 700 12.058 -1.007 -4.541 464 2HD LYS 700 2HD LYS 700 12.454 -2.080 -5.886 465 1HE LYS 700 1HE LYS 700 13.461 -0.190 -7.082 466 2HE LYS 700 2HE LYS 700 13.077 0.868 -5.725 467 1HZ LYS 700 1HZ LYS 700 14.999 0.291 -4.826 468 2HZ LYS 700 2HZ LYS 700 15.311 -0.813 -6.068 469 3HZ LYS 700 3HZ LYS 700 14.459 -1.307 -4.692 470 H GLU 701 H GLU 701 8.069 -3.125 -3.699 471 HA GLU 701 HA GLU 701 5.475 -2.654 -4.638 472 1HB GLU 701 1HB GLU 701 6.552 -4.498 -2.512 473 2HB GLU 701 2HB GLU 701 4.847 -4.464 -2.941 474 1HG GLU 701 1HG GLU 701 6.980 -4.897 -5.000 475 2HG GLU 701 2HG GLU 701 6.320 -6.224 -4.046 476 H ARG 702 H ARG 702 6.731 -2.416 -1.310 477 HA ARG 702 HA ARG 702 4.633 -1.687 0.156 478 1HB ARG 702 1HB ARG 702 7.342 -0.367 0.090 479 2HB ARG 702 2HB ARG 702 6.136 0.019 1.309 480 1HG ARG 702 1HG ARG 702 6.106 -2.367 1.970 481 2HG ARG 702 2HG ARG 702 7.414 -2.662 0.822 482 1HD ARG 702 1HD ARG 702 7.590 -0.643 3.048 483 2HD ARG 702 2HD ARG 702 8.112 -2.318 3.221 484 HE ARG 702 HE ARG 702 9.947 -1.865 1.893 485 1HH1 ARG 702 2HH1 ARG 702 7.750 0.836 1.880 486 2HH1 ARG 702 1HH1 ARG 702 8.874 1.914 1.121 487 1HH2 ARG 702 2HH2 ARG 702 11.436 -0.455 0.894 488 2HH2 ARG 702 1HH2 ARG 702 10.970 1.178 0.560 489 H LYS 703 H LYS 703 6.323 0.558 -2.019 490 HA LYS 703 HA LYS 703 4.534 2.724 -1.523 491 1HB LYS 703 1HB LYS 703 6.869 3.026 -2.307 492 2HB LYS 703 2HB LYS 703 6.420 2.310 -3.850 493 1HG LYS 703 1HG LYS 703 6.284 4.534 -4.351 494 2HG LYS 703 2HG LYS 703 4.619 4.208 -3.864 495 1HD LYS 703 1HD LYS 703 5.376 4.916 -1.516 496 2HD LYS 703 2HD LYS 703 6.796 5.588 -2.321 497 1HE LYS 703 1HE LYS 703 4.952 6.677 -3.872 498 2HE LYS 703 2HE LYS 703 3.948 6.444 -2.442 499 1HZ LYS 703 1HZ LYS 703 5.069 8.637 -2.560 500 2HZ LYS 703 2HZ LYS 703 6.559 7.851 -2.412 501 3HZ LYS 703 3HZ LYS 703 5.430 7.765 -1.155 502 H GLN 704 H GLN 704 4.859 0.330 -4.116 503 HA GLN 704 HA GLN 704 2.896 1.306 -5.834 504 1HB GLN 704 1HB GLN 704 4.072 -1.397 -5.338 505 2HB GLN 704 2HB GLN 704 2.669 -1.259 -6.389 506 1HG GLN 704 1HG GLN 704 3.815 -0.049 -7.985 507 2HG GLN 704 2HG GLN 704 5.049 0.483 -6.843 508 1HE2 GLN 704 1HE2 GLN 704 6.855 -0.230 -7.803 509 2HE2 GLN 704 2HE2 GLN 704 7.186 -1.884 -8.174 510 H VAL 705 H VAL 705 2.557 -1.272 -3.390 511 HA VAL 705 HA VAL 705 -0.218 -1.572 -3.645 512 HB VAL 705 HB VAL 705 1.609 -2.140 -1.312 513 1HG1 VAL 705 1HG1 VAL 705 -0.427 -3.691 -0.720 514 2HG1 VAL 705 2HG1 VAL 705 -0.389 -2.008 -0.191 515 3HG1 VAL 705 3HG1 VAL 705 -1.338 -2.468 -1.605 516 1HG2 VAL 705 1HG2 VAL 705 2.211 -3.681 -2.884 517 2HG2 VAL 705 2HG2 VAL 705 0.854 -4.537 -2.152 518 3HG2 VAL 705 3HG2 VAL 705 0.631 -3.664 -3.668 519 H PHE 706 H PHE 706 1.678 0.346 -1.325 520 HA PHE 706 HA PHE 706 -0.443 1.375 0.156 521 1HB PHE 706 1HB PHE 706 1.748 1.683 1.010 522 2HB PHE 706 2HB PHE 706 2.293 2.475 -0.465 523 HD1 PHE 706 1HD PHE 706 2.296 4.787 -0.611 524 HD2 PHE 706 2HD PHE 706 -0.060 2.887 2.381 525 HE1 PHE 706 1HE PHE 706 1.792 6.981 0.381 526 HE2 PHE 706 2HE PHE 706 -0.569 5.078 3.377 527 HZ PHE 706 HZ PHE 706 0.357 7.129 2.377 528 H ASP 707 H ASP 707 0.941 2.443 -2.894 529 HA ASP 707 HA ASP 707 -0.402 4.920 -3.062 530 1HB ASP 707 1HB ASP 707 1.575 4.069 -4.464 531 2HB ASP 707 2HB ASP 707 0.366 3.246 -5.446 532 H GLN 708 H GLN 708 -1.171 1.748 -4.488 533 HA GLN 708 HA GLN 708 -3.555 2.483 -5.737 534 1HB GLN 708 1HB GLN 708 -2.576 -0.147 -4.644 535 2HB GLN 708 2HB GLN 708 -4.130 0.001 -5.453 536 1HG GLN 708 1HG GLN 708 -1.452 0.668 -6.655 537 2HG GLN 708 2HG GLN 708 -2.392 -0.790 -6.965 538 1HE2 GLN 708 1HE2 GLN 708 -1.600 2.119 -8.190 539 2HE2 GLN 708 2HE2 GLN 708 -2.972 2.409 -9.199 540 H TYR 709 H TYR 709 -2.906 1.507 -2.423 541 HA TYR 709 HA TYR 709 -5.603 1.198 -1.622 542 1HB TYR 709 1HB TYR 709 -4.011 0.194 -0.213 543 2HB TYR 709 2HB TYR 709 -3.031 1.654 -0.131 544 HD1 TYR 709 1HD TYR 709 -5.990 -0.061 1.175 545 HD2 TYR 709 2HD TYR 709 -3.618 3.465 1.379 546 HE1 TYR 709 1HE TYR 709 -7.107 0.561 3.276 547 HE2 TYR 709 2HE TYR 709 -4.728 4.097 3.481 548 HH TYR 709 HH TYR 709 -6.364 2.097 5.371 549 H VAL 710 H VAL 710 -3.363 3.932 -1.544 550 HA VAL 710 HA VAL 710 -5.105 5.695 -0.157 551 HB VAL 710 HB VAL 710 -2.776 6.337 -1.972 552 1HG1 VAL 710 1HG1 VAL 710 -2.906 8.529 -1.362 553 2HG1 VAL 710 2HG1 VAL 710 -4.622 8.120 -1.311 554 3HG1 VAL 710 3HG1 VAL 710 -3.682 8.170 0.181 555 1HG2 VAL 710 1HG2 VAL 710 -2.783 5.047 0.483 556 2HG2 VAL 710 2HG2 VAL 710 -1.404 5.827 -0.291 557 3HG2 VAL 710 3HG2 VAL 710 -2.384 6.721 0.871 558 H LYS 711 H LYS 711 -4.477 5.066 -3.573 559 HA LYS 711 HA LYS 711 -5.977 7.198 -4.630 560 1HB LYS 711 1HB LYS 711 -4.484 6.087 -6.095 561 2HB LYS 711 2HB LYS 711 -5.178 4.512 -5.735 562 1HG LYS 711 1HG LYS 711 -6.953 4.815 -7.138 563 2HG LYS 711 2HG LYS 711 -6.926 6.572 -6.972 564 1HD LYS 711 1HD LYS 711 -4.660 6.415 -8.210 565 2HD LYS 711 2HD LYS 711 -5.210 4.806 -8.681 566 1HE LYS 711 1HE LYS 711 -7.060 7.107 -9.059 567 2HE LYS 711 2HE LYS 711 -5.702 6.933 -10.170 568 1HZ LYS 711 1HZ LYS 711 -6.463 4.813 -10.837 569 2HZ LYS 711 2HZ LYS 711 -7.814 5.830 -10.877 570 3HZ LYS 711 3HZ LYS 711 -7.614 4.741 -9.599 571 H THR 712 H THR 712 -6.873 3.901 -3.733 572 HA THR 712 HA THR 712 -9.563 4.129 -4.684 573 HB THR 712 HB THR 712 -9.964 2.007 -3.526 574 HG1 THR 712 1HG THR 712 -7.267 2.022 -2.665 575 1HG2 THR 712 1HG2 THR 712 -7.363 1.294 -4.585 576 2HG2 THR 712 2HG2 THR 712 -8.198 2.440 -5.634 577 3HG2 THR 712 3HG2 THR 712 -8.970 0.915 -5.202 578 H ARG 713 H ARG 713 -7.962 4.495 -1.561 579 HA ARG 713 HA ARG 713 -10.242 4.669 0.055 580 1HB ARG 713 1HB ARG 713 -7.422 5.629 0.294 581 2HB ARG 713 2HB ARG 713 -8.612 6.197 1.457 582 1HG ARG 713 1HG ARG 713 -8.428 3.277 0.940 583 2HG ARG 713 2HG ARG 713 -7.168 4.048 1.905 584 1HD ARG 713 1HD ARG 713 -10.130 4.209 2.451 585 2HD ARG 713 2HD ARG 713 -8.998 3.144 3.284 586 HE ARG 713 HE ARG 713 -8.240 5.904 3.409 587 1HH1 ARG 713 2HH1 ARG 713 -10.231 3.437 4.848 588 2HH1 ARG 713 1HH1 ARG 713 -10.306 4.216 6.394 589 1HH2 ARG 713 2HH2 ARG 713 -8.332 6.939 5.440 590 2HH2 ARG 713 1HH2 ARG 713 -9.227 6.208 6.729 591 H ALA 714 H ALA 714 -8.584 7.081 -1.893 592 HA ALA 714 HA ALA 714 -10.236 9.244 -0.911 593 1HB ALA 714 1HB ALA 714 -7.893 8.986 -2.681 594 2HB ALA 714 2HB ALA 714 -8.995 10.315 -3.042 595 3HB ALA 714 3HB ALA 714 -8.259 10.190 -1.445 596 H GLU 715 H GLU 715 -9.690 7.797 -4.131 597 HA GLU 715 HA GLU 715 -11.682 9.045 -5.534 598 1HB GLU 715 1HB GLU 715 -11.390 7.451 -7.166 599 2HB GLU 715 2HB GLU 715 -9.918 7.225 -6.233 600 1HG GLU 715 1HG GLU 715 -10.651 5.066 -6.567 601 2HG GLU 715 2HG GLU 715 -11.263 5.439 -4.957 602 H GLU 716 H GLU 716 -12.001 6.591 -3.107 603 HA GLU 716 HA GLU 716 -14.814 6.146 -3.755 604 1HB GLU 716 1HB GLU 716 -13.033 4.351 -3.002 605 2HB GLU 716 2HB GLU 716 -13.472 4.903 -1.392 606 1HG GLU 716 1HG GLU 716 -14.717 2.900 -2.205 607 2HG GLU 716 2HG GLU 716 -15.728 4.247 -1.683 608 H GLU 717 H GLU 717 -13.767 8.715 -2.697 609 HA GLU 717 HA GLU 717 -14.328 9.109 -0.009 610 1HB GLU 717 1HB GLU 717 -13.320 10.747 -1.692 611 2HB GLU 717 2HB GLU 717 -14.974 11.133 -2.146 612 1HG GLU 717 1HG GLU 717 -14.071 11.303 0.702 613 2HG GLU 717 2HG GLU 717 -13.791 12.624 -0.431 614 H ARG 718 H ARG 718 -16.137 7.964 0.657 615 HA ARG 718 HA ARG 718 -18.705 8.454 -0.587 616 1HB ARG 718 1HB ARG 718 -19.574 6.841 1.008 617 2HB ARG 718 2HB ARG 718 -18.116 6.211 0.253 618 1HG ARG 718 1HG ARG 718 -16.938 7.210 2.354 619 2HG ARG 718 2HG ARG 718 -18.556 7.126 3.053 620 1HD ARG 718 1HD ARG 718 -18.568 4.698 2.214 621 2HD ARG 718 2HD ARG 718 -16.825 4.896 2.038 622 HE ARG 718 HE ARG 718 -17.374 5.715 4.592 623 1HH1 ARG 718 2HH1 ARG 718 -17.894 2.808 2.747 624 2HH1 ARG 718 1HH1 ARG 718 -17.795 1.761 4.124 625 1HH2 ARG 718 2HH2 ARG 718 -17.241 4.347 6.412 626 2HH2 ARG 718 1HH2 ARG 718 -17.425 2.638 6.208 627 H ARG 719 H ARG 719 -20.586 9.101 0.734 628 HA ARG 719 HA ARG 719 -20.429 11.605 1.763 629 1HB ARG 719 1HB ARG 719 -22.505 10.169 1.295 630 2HB ARG 719 2HB ARG 719 -22.328 9.592 2.946 631 1HG ARG 719 1HG ARG 719 -22.400 12.014 3.664 632 2HG ARG 719 2HG ARG 719 -22.899 12.387 2.013 633 1HD ARG 719 1HD ARG 719 -24.359 10.257 3.490 634 2HD ARG 719 2HD ARG 719 -24.663 11.938 3.928 635 HE ARG 719 HE ARG 719 -24.822 11.555 1.116 636 1HH1 ARG 719 2HH1 ARG 719 -26.566 11.068 4.090 637 2HH1 ARG 719 1HH1 ARG 719 -28.125 11.125 3.337 638 1HH2 ARG 719 2HH2 ARG 719 -26.870 11.632 0.113 639 2HH2 ARG 719 1HH2 ARG 719 -28.297 11.445 1.075 640 H SER 720 H SER 720 -20.416 12.523 3.867 641 HA SER 720 HA SER 720 -18.392 11.751 5.540 642 1HB SER 720 1HB SER 720 -20.890 13.347 6.092 643 2HB SER 720 2HB SER 720 -19.657 13.098 7.328 644 HG SER 720 HG SER 720 -19.193 14.996 6.256 645 H GLY 721 H GLY 721 -18.083 10.210 7.017 646 1HA GLY 721 1HA GLY 721 -19.815 9.228 8.895 647 2HA GLY 721 2HA GLY 721 -20.121 8.241 7.473 648 HA PRO 722 HA PRO 722 -15.532 7.450 8.850 649 1HB PRO 722 1HB PRO 722 -14.917 8.257 11.369 650 2HB PRO 722 2HB PRO 722 -14.680 9.281 9.948 651 1HG PRO 722 1HG PRO 722 -16.916 9.292 11.938 652 2HG PRO 722 2HG PRO 722 -16.052 10.663 11.218 653 1HD PRO 722 1HD PRO 722 -18.488 9.859 10.352 654 2HD PRO 722 2HD PRO 722 -17.277 10.573 9.268 655 H SER 723 H SER 723 -14.714 5.688 10.086 656 HA SER 723 HA SER 723 -16.669 4.426 11.889 657 1HB SER 723 1HB SER 723 -16.620 3.394 9.578 658 2HB SER 723 2HB SER 723 -14.959 2.905 9.914 659 HG SER 723 HG SER 723 -15.836 1.235 10.826 660 H SER 724 H SER 724 -15.836 4.144 13.838 661 HA SER 724 HA SER 724 -13.195 4.616 14.551 662 1HB SER 724 1HB SER 724 -13.757 3.563 16.708 663 2HB SER 724 2HB SER 724 -15.039 4.647 16.169 664 HG SER 724 HG SER 724 -15.615 2.433 16.967 665 H GLY 725 H GLY 725 -14.826 1.534 13.892 666 1HA GLY 725 1HA GLY 725 -13.944 -0.621 13.829 667 2HA GLY 725 2HA GLY 725 -12.929 0.153 12.621 Start of MODEL 7 1 1H GLY 644 H GLY 644 -21.950 -19.853 6.649 2 1HA GLY 644 1HA GLY 644 -20.480 -18.112 8.435 3 2HA GLY 644 2HA GLY 644 -21.490 -19.474 8.898 4 H SER 645 H SER 645 -18.724 -19.391 6.680 5 HA SER 645 HA SER 645 -17.274 -21.148 8.547 6 1HB SER 645 1HB SER 645 -18.367 -22.183 6.367 7 2HB SER 645 2HB SER 645 -16.926 -21.513 5.600 8 HG SER 645 HG SER 645 -15.900 -22.665 7.579 9 H SER 646 H SER 646 -15.733 -19.804 9.286 10 HA SER 646 HA SER 646 -14.486 -17.804 7.678 11 1HB SER 646 1HB SER 646 -12.915 -17.628 9.669 12 2HB SER 646 2HB SER 646 -14.625 -17.372 10.020 13 HG SER 646 HG SER 646 -13.083 -19.701 10.503 14 H GLY 647 H GLY 647 -14.003 -21.144 8.053 15 1HA GLY 647 1HA GLY 647 -12.444 -22.583 7.176 16 2HA GLY 647 2HA GLY 647 -11.932 -21.252 6.148 17 H SER 648 H SER 648 -11.076 -23.276 8.695 18 HA SER 648 HA SER 648 -8.860 -21.500 9.476 19 1HB SER 648 1HB SER 648 -10.430 -23.556 10.979 20 2HB SER 648 2HB SER 648 -8.751 -23.268 11.436 21 HG SER 648 HG SER 648 -9.241 -21.261 12.056 22 H SER 649 H SER 649 -7.559 -22.102 7.700 23 HA SER 649 HA SER 649 -6.073 -24.546 8.148 24 1HB SER 649 1HB SER 649 -7.864 -24.148 5.798 25 2HB SER 649 2HB SER 649 -6.305 -24.923 5.520 26 HG SER 649 HG SER 649 -8.513 -26.002 6.510 27 H GLY 650 H GLY 650 -4.243 -24.696 6.444 28 1HA GLY 650 1HA GLY 650 -3.159 -22.989 4.798 29 2HA GLY 650 2HA GLY 650 -3.080 -22.008 6.254 30 H ALA 651 H ALA 651 -1.972 -25.004 4.765 31 HA ALA 651 HA ALA 651 0.151 -25.210 6.780 32 1HB ALA 651 1HB ALA 651 0.064 -27.432 6.543 33 2HB ALA 651 2HB ALA 651 -1.472 -27.143 5.724 34 3HB ALA 651 3HB ALA 651 0.007 -27.335 4.783 35 H ARG 652 H ARG 652 2.035 -24.311 6.298 36 HA ARG 652 HA ARG 652 2.793 -24.024 3.473 37 1HB ARG 652 1HB ARG 652 4.325 -22.269 4.227 38 2HB ARG 652 2HB ARG 652 2.675 -21.932 4.735 39 1HG ARG 652 1HG ARG 652 3.461 -23.153 6.932 40 2HG ARG 652 2HG ARG 652 5.054 -22.653 6.360 41 1HD ARG 652 1HD ARG 652 3.810 -20.343 6.031 42 2HD ARG 652 2HD ARG 652 2.752 -21.007 7.276 43 HE ARG 652 HE ARG 652 4.390 -20.574 8.795 44 1HH1 ARG 652 2HH1 ARG 652 5.851 -20.816 5.645 45 2HH1 ARG 652 1HH1 ARG 652 7.436 -20.393 6.203 46 1HH2 ARG 652 2HH2 ARG 652 6.471 -20.016 9.543 47 2HH2 ARG 652 1HH2 ARG 652 7.788 -19.940 8.421 48 H GLU 653 H GLU 653 4.365 -25.252 2.681 49 HA GLU 653 HA GLU 653 5.819 -27.042 4.404 50 1HB GLU 653 1HB GLU 653 5.967 -26.589 1.419 51 2HB GLU 653 2HB GLU 653 6.822 -27.861 2.279 52 1HG GLU 653 1HG GLU 653 4.914 -29.067 2.681 53 2HG GLU 653 2HG GLU 653 3.867 -27.654 2.569 54 H ARG 654 H ARG 654 6.955 -24.796 1.874 55 HA ARG 654 HA ARG 654 9.478 -24.520 3.327 56 1HB ARG 654 1HB ARG 654 8.619 -23.946 0.508 57 2HB ARG 654 2HB ARG 654 10.083 -23.221 1.159 58 1HG ARG 654 1HG ARG 654 9.593 -26.182 1.215 59 2HG ARG 654 2HG ARG 654 10.355 -25.366 -0.152 60 1HD ARG 654 1HD ARG 654 12.217 -25.930 1.041 61 2HD ARG 654 2HD ARG 654 11.875 -24.355 1.756 62 HE ARG 654 HE ARG 654 11.612 -25.436 3.736 63 1HH1 ARG 654 2HH1 ARG 654 10.816 -27.656 1.175 64 2HH1 ARG 654 1HH1 ARG 654 10.487 -28.977 2.246 65 1HH2 ARG 654 2HH2 ARG 654 11.182 -27.168 5.156 66 2HH2 ARG 654 1HH2 ARG 654 10.694 -28.699 4.510 67 H ALA 655 H ALA 655 10.445 -22.155 2.831 68 HA ALA 655 HA ALA 655 8.576 -20.331 4.146 69 1HB ALA 655 1HB ALA 655 10.344 -19.432 5.185 70 2HB ALA 655 2HB ALA 655 11.201 -20.877 4.649 71 3HB ALA 655 3HB ALA 655 11.311 -19.388 3.711 72 H ILE 656 H ILE 656 7.732 -20.601 1.658 73 HA ILE 656 HA ILE 656 8.680 -18.170 0.287 74 HB ILE 656 HB ILE 656 7.641 -20.695 -1.004 75 1HG1 ILE 656 1HG1 ILE 656 10.347 -19.506 -1.486 76 2HG1 ILE 656 2HG1 ILE 656 10.082 -20.487 -0.048 77 1HG2 ILE 656 1HG2 ILE 656 6.924 -18.656 -2.170 78 2HG2 ILE 656 2HG2 ILE 656 8.606 -18.140 -2.281 79 3HG2 ILE 656 3HG2 ILE 656 8.072 -19.595 -3.124 80 1HD1 ILE 656 1HD1 ILE 656 9.011 -22.049 -2.009 81 2HD1 ILE 656 2HD1 ILE 656 10.367 -21.281 -2.835 82 3HD1 ILE 656 3HD1 ILE 656 10.641 -22.199 -1.355 83 H VAL 657 H VAL 657 7.096 -16.894 1.290 84 HA VAL 657 HA VAL 657 4.315 -17.567 1.179 85 HB VAL 657 HB VAL 657 5.068 -16.150 2.970 86 1HG1 VAL 657 1HG1 VAL 657 6.516 -14.828 0.862 87 2HG1 VAL 657 2HG1 VAL 657 5.590 -13.663 1.810 88 3HG1 VAL 657 3HG1 VAL 657 6.742 -14.734 2.608 89 1HG2 VAL 657 1HG2 VAL 657 2.796 -15.778 2.172 90 2HG2 VAL 657 2HG2 VAL 657 3.506 -14.273 2.754 91 3HG2 VAL 657 3HG2 VAL 657 3.383 -14.578 1.022 92 HA PRO 658 HA PRO 658 3.588 -16.233 -2.983 93 1HB PRO 658 1HB PRO 658 0.876 -16.291 -2.877 94 2HB PRO 658 2HB PRO 658 1.864 -17.752 -2.994 95 1HG PRO 658 1HG PRO 658 0.587 -16.517 -0.584 96 2HG PRO 658 2HG PRO 658 0.670 -18.225 -1.056 97 1HD PRO 658 1HD PRO 658 2.315 -17.146 0.804 98 2HD PRO 658 2HD PRO 658 2.821 -18.469 -0.266 99 H LEU 659 H LEU 659 2.798 -14.416 -4.107 100 HA LEU 659 HA LEU 659 3.054 -11.955 -2.911 101 1HB LEU 659 1HB LEU 659 3.145 -12.148 -5.281 102 2HB LEU 659 2HB LEU 659 1.497 -12.768 -5.353 103 HG LEU 659 HG LEU 659 0.818 -10.458 -4.431 104 1HD1 LEU 659 1HD1 LEU 659 2.996 -9.658 -3.793 105 2HD1 LEU 659 2HD1 LEU 659 2.368 -8.650 -5.096 106 3HD1 LEU 659 3HD1 LEU 659 3.597 -9.868 -5.438 107 1HD2 LEU 659 1HD2 LEU 659 1.949 -10.361 -7.201 108 2HD2 LEU 659 2HD2 LEU 659 0.432 -9.700 -6.589 109 3HD2 LEU 659 3HD2 LEU 659 0.610 -11.441 -6.812 110 H GLU 660 H GLU 660 0.021 -13.677 -3.621 111 HA GLU 660 HA GLU 660 -1.767 -11.793 -2.657 112 1HB GLU 660 1HB GLU 660 -3.351 -13.624 -2.397 113 2HB GLU 660 2HB GLU 660 -2.436 -13.816 -3.886 114 1HG GLU 660 1HG GLU 660 -1.032 -15.489 -2.842 115 2HG GLU 660 2HG GLU 660 -1.871 -15.264 -1.308 116 H ALA 661 H ALA 661 0.003 -14.303 -0.908 117 HA ALA 661 HA ALA 661 -1.243 -13.974 1.589 118 1HB ALA 661 1HB ALA 661 0.005 -15.919 1.386 119 2HB ALA 661 2HB ALA 661 1.407 -15.072 0.732 120 3HB ALA 661 3HB ALA 661 1.003 -14.920 2.442 121 H ARG 662 H ARG 662 2.085 -12.952 0.824 122 HA ARG 662 HA ARG 662 2.480 -11.266 2.947 123 1HB ARG 662 1HB ARG 662 4.090 -10.034 1.426 124 2HB ARG 662 2HB ARG 662 4.333 -11.770 1.560 125 1HG ARG 662 1HG ARG 662 2.788 -11.803 -0.577 126 2HG ARG 662 2HG ARG 662 3.396 -10.155 -0.747 127 1HD ARG 662 1HD ARG 662 5.708 -11.360 -0.274 128 2HD ARG 662 2HD ARG 662 4.837 -12.749 -0.922 129 HE ARG 662 HE ARG 662 4.419 -10.650 -2.682 130 1HH1 ARG 662 2HH1 ARG 662 7.104 -12.511 -1.479 131 2HH1 ARG 662 1HH1 ARG 662 8.044 -12.333 -2.924 132 1HH2 ARG 662 2HH2 ARG 662 5.646 -10.409 -4.589 133 2HH2 ARG 662 1HH2 ARG 662 7.213 -11.137 -4.692 134 H MET 663 H MET 663 1.097 -10.426 -0.216 135 HA MET 663 HA MET 663 0.754 -7.694 0.214 136 1HB MET 663 1HB MET 663 -0.659 -9.700 -1.514 137 2HB MET 663 2HB MET 663 -1.230 -8.038 -1.437 138 1HG MET 663 1HG MET 663 1.188 -7.395 -2.001 139 2HG MET 663 2HG MET 663 1.374 -9.082 -2.473 140 1HE MET 663 1HE MET 663 1.764 -6.384 -3.785 141 2HE MET 663 2HE MET 663 1.340 -6.704 -5.467 142 3HE MET 663 3HE MET 663 0.343 -5.619 -4.497 143 H LYS 664 H LYS 664 -1.463 -10.387 0.881 144 HA LYS 664 HA LYS 664 -3.664 -8.957 1.759 145 1HB LYS 664 1HB LYS 664 -2.572 -11.667 2.407 146 2HB LYS 664 2HB LYS 664 -3.940 -11.053 3.326 147 1HG LYS 664 1HG LYS 664 -3.923 -11.173 0.324 148 2HG LYS 664 2HG LYS 664 -4.484 -12.505 1.338 149 1HD LYS 664 1HD LYS 664 -5.575 -9.745 1.728 150 2HD LYS 664 2HD LYS 664 -6.198 -10.774 0.436 151 1HE LYS 664 1HE LYS 664 -6.061 -11.584 3.337 152 2HE LYS 664 2HE LYS 664 -7.490 -10.896 2.569 153 1HZ LYS 664 1HZ LYS 664 -6.702 -12.967 0.939 154 2HZ LYS 664 2HZ LYS 664 -8.025 -12.954 1.993 155 3HZ LYS 664 3HZ LYS 664 -6.538 -13.570 2.511 156 H GLN 665 H GLN 665 -0.845 -10.043 3.625 157 HA GLN 665 HA GLN 665 -1.676 -9.165 6.139 158 1HB GLN 665 1HB GLN 665 1.143 -9.262 5.053 159 2HB GLN 665 2HB GLN 665 0.697 -9.194 6.752 160 1HG GLN 665 1HG GLN 665 -0.387 -11.366 6.566 161 2HG GLN 665 2HG GLN 665 0.032 -11.434 4.855 162 1HE2 GLN 665 1HE2 GLN 665 1.079 -11.966 8.054 163 2HE2 GLN 665 2HE2 GLN 665 2.680 -12.502 7.689 164 H PHE 666 H PHE 666 0.589 -7.501 3.937 165 HA PHE 666 HA PHE 666 0.850 -5.132 5.293 166 1HB PHE 666 1HB PHE 666 1.968 -5.912 3.102 167 2HB PHE 666 2HB PHE 666 0.588 -5.174 2.296 168 HD1 PHE 666 1HD PHE 666 3.252 -4.399 4.777 169 HD2 PHE 666 2HD PHE 666 0.667 -2.939 1.727 170 HE1 PHE 666 1HE PHE 666 4.370 -2.210 4.882 171 HE2 PHE 666 2HE PHE 666 1.782 -0.748 1.827 172 HZ PHE 666 HZ PHE 666 3.636 -0.381 3.405 173 H LYS 667 H LYS 667 -1.484 -5.713 2.657 174 HA LYS 667 HA LYS 667 -2.869 -3.331 2.805 175 1HB LYS 667 1HB LYS 667 -3.096 -5.417 1.208 176 2HB LYS 667 2HB LYS 667 -4.387 -5.861 2.317 177 1HG LYS 667 1HG LYS 667 -5.553 -3.806 1.859 178 2HG LYS 667 2HG LYS 667 -4.217 -3.232 0.859 179 1HD LYS 667 1HD LYS 667 -4.619 -5.345 -0.542 180 2HD LYS 667 2HD LYS 667 -6.164 -5.451 0.306 181 1HE LYS 667 1HE LYS 667 -6.794 -3.259 -0.497 182 2HE LYS 667 2HE LYS 667 -5.215 -3.048 -1.252 183 1HZ LYS 667 1HZ LYS 667 -7.250 -3.838 -2.644 184 2HZ LYS 667 2HZ LYS 667 -6.855 -5.359 -2.017 185 3HZ LYS 667 3HZ LYS 667 -5.719 -4.498 -2.928 186 H ASP 668 H ASP 668 -3.242 -6.234 4.762 187 HA ASP 668 HA ASP 668 -5.631 -5.589 6.059 188 1HB ASP 668 1HB ASP 668 -4.212 -7.768 6.123 189 2HB ASP 668 2HB ASP 668 -3.391 -7.000 7.478 190 H MET 669 H MET 669 -2.284 -5.020 7.152 191 HA MET 669 HA MET 669 -3.011 -3.545 9.447 192 1HB MET 669 1HB MET 669 -0.610 -2.744 9.343 193 2HB MET 669 2HB MET 669 -0.837 -4.486 9.407 194 1HG MET 669 1HG MET 669 -0.423 -4.674 7.044 195 2HG MET 669 2HG MET 669 -0.335 -2.921 6.888 196 1HE MET 669 1HE MET 669 2.122 -1.576 7.256 197 2HE MET 669 2HE MET 669 3.278 -2.715 6.566 198 3HE MET 669 3HE MET 669 1.667 -2.560 5.864 199 H LEU 670 H LEU 670 -2.305 -2.614 6.127 200 HA LEU 670 HA LEU 670 -2.019 0.118 6.386 201 1HB LEU 670 1HB LEU 670 -3.189 -1.603 4.235 202 2HB LEU 670 2HB LEU 670 -3.198 0.152 4.078 203 HG LEU 670 HG LEU 670 -0.679 -1.437 4.515 204 1HD1 LEU 670 1HD1 LEU 670 -2.278 -1.040 2.081 205 2HD1 LEU 670 2HD1 LEU 670 -1.073 -2.269 2.465 206 3HD1 LEU 670 3HD1 LEU 670 -0.560 -0.670 1.928 207 1HD2 LEU 670 1HD2 LEU 670 0.452 0.530 3.880 208 2HD2 LEU 670 2HD2 LEU 670 -0.787 1.045 5.026 209 3HD2 LEU 670 3HD2 LEU 670 -1.029 1.288 3.295 210 H LEU 671 H LEU 671 -5.045 -1.700 5.926 211 HA LEU 671 HA LEU 671 -6.688 0.626 6.203 212 1HB LEU 671 1HB LEU 671 -7.349 -1.363 4.900 213 2HB LEU 671 2HB LEU 671 -7.440 -2.288 6.398 214 HG LEU 671 HG LEU 671 -9.240 -0.710 7.152 215 1HD1 LEU 671 1HD1 LEU 671 -8.509 0.564 4.657 216 2HD1 LEU 671 2HD1 LEU 671 -9.471 1.178 6.001 217 3HD1 LEU 671 3HD1 LEU 671 -10.235 0.210 4.740 218 1HD2 LEU 671 1HD2 LEU 671 -10.750 -2.166 6.375 219 2HD2 LEU 671 2HD2 LEU 671 -9.376 -2.966 5.611 220 3HD2 LEU 671 3HD2 LEU 671 -10.355 -1.822 4.691 221 H GLU 672 H GLU 672 -5.929 -2.144 8.297 222 HA GLU 672 HA GLU 672 -7.530 -1.459 10.468 223 1HB GLU 672 1HB GLU 672 -5.075 -3.097 10.098 224 2HB GLU 672 2HB GLU 672 -5.505 -2.649 11.743 225 1HG GLU 672 1HG GLU 672 -7.540 -3.871 9.930 226 2HG GLU 672 2HG GLU 672 -6.360 -4.880 10.765 227 H ARG 673 H ARG 673 -4.001 -0.956 10.296 228 HA ARG 673 HA ARG 673 -3.618 0.615 12.470 229 1HB ARG 673 1HB ARG 673 -2.345 0.721 9.749 230 2HB ARG 673 2HB ARG 673 -1.836 1.814 11.029 231 1HG ARG 673 1HG ARG 673 -1.904 -1.154 11.438 232 2HG ARG 673 2HG ARG 673 -0.518 -0.346 10.702 233 1HD ARG 673 1HD ARG 673 0.114 -0.343 12.905 234 2HD ARG 673 2HD ARG 673 -0.712 1.211 12.804 235 HE ARG 673 HE ARG 673 -2.449 -0.932 13.577 236 1HH1 ARG 673 2HH1 ARG 673 -0.117 1.387 14.720 237 2HH1 ARG 673 1HH1 ARG 673 -0.732 1.403 16.340 238 1HH2 ARG 673 2HH2 ARG 673 -3.268 -0.919 15.706 239 2HH2 ARG 673 1HH2 ARG 673 -2.525 0.090 16.900 240 H GLY 674 H GLY 674 -5.290 1.490 9.564 241 1HA GLY 674 1HA GLY 674 -6.773 3.277 9.318 242 2HA GLY 674 2HA GLY 674 -6.139 3.976 10.800 243 H VAL 675 H VAL 675 -4.442 2.991 7.841 244 HA VAL 675 HA VAL 675 -2.854 5.341 7.801 245 HB VAL 675 HB VAL 675 -3.308 3.153 5.785 246 1HG1 VAL 675 1HG1 VAL 675 -1.998 5.777 5.428 247 2HG1 VAL 675 2HG1 VAL 675 -1.126 4.371 4.814 248 3HG1 VAL 675 3HG1 VAL 675 -2.759 4.716 4.243 249 1HG2 VAL 675 1HG2 VAL 675 -0.864 2.764 6.296 250 2HG2 VAL 675 2HG2 VAL 675 -1.042 3.928 7.609 251 3HG2 VAL 675 3HG2 VAL 675 -1.986 2.438 7.617 252 H SER 676 H SER 676 -3.681 7.289 7.408 253 HA SER 676 HA SER 676 -6.056 7.749 5.934 254 1HB SER 676 1HB SER 676 -3.879 9.566 6.959 255 2HB SER 676 2HB SER 676 -5.243 10.184 6.028 256 HG SER 676 HG SER 676 -5.198 9.778 8.582 257 H ALA 677 H ALA 677 -6.399 8.287 3.846 258 HA ALA 677 HA ALA 677 -4.394 7.679 1.925 259 1HB ALA 677 1HB ALA 677 -6.141 7.486 0.567 260 2HB ALA 677 2HB ALA 677 -7.172 7.937 1.925 261 3HB ALA 677 3HB ALA 677 -6.590 9.174 0.811 262 H PHE 678 H PHE 678 -6.078 10.734 2.679 263 HA PHE 678 HA PHE 678 -4.643 12.394 0.988 264 1HB PHE 678 1HB PHE 678 -5.863 13.008 3.686 265 2HB PHE 678 2HB PHE 678 -5.280 14.232 2.564 266 HD1 PHE 678 1HD PHE 678 -6.323 14.238 0.210 267 HD2 PHE 678 2HD PHE 678 -8.049 12.261 3.562 268 HE1 PHE 678 1HE PHE 678 -8.513 14.253 -0.913 269 HE2 PHE 678 2HE PHE 678 -10.240 12.272 2.444 270 HZ PHE 678 HZ PHE 678 -10.474 13.267 0.204 271 H SER 679 H SER 679 -3.769 11.080 4.099 272 HA SER 679 HA SER 679 -1.702 12.784 4.835 273 1HB SER 679 1HB SER 679 -2.375 9.937 5.391 274 2HB SER 679 2HB SER 679 -0.746 10.479 5.794 275 HG SER 679 HG SER 679 -1.671 11.192 7.542 276 H THR 680 H THR 680 0.665 12.190 4.842 277 HA THR 680 HA THR 680 1.463 11.603 2.096 278 HB THR 680 HB THR 680 3.619 12.546 2.664 279 HG1 THR 680 1HG THR 680 3.744 13.457 4.916 280 1HG2 THR 680 1HG2 THR 680 1.613 14.365 3.967 281 2HG2 THR 680 2HG2 THR 680 1.562 14.027 2.237 282 3HG2 THR 680 3HG2 THR 680 2.987 14.785 2.945 283 H TRP 681 H TRP 681 3.184 10.151 1.610 284 HA TRP 681 HA TRP 681 2.998 7.653 2.831 285 1HB TRP 681 1HB TRP 681 3.801 7.651 0.626 286 2HB TRP 681 2HB TRP 681 5.016 8.878 0.970 287 HD1 TRP 681 HD TRP 681 7.399 8.016 1.390 288 HE1 TRP 681 1HE TRP 681 8.465 5.715 1.831 289 HE3 TRP 681 3HE TRP 681 3.141 5.226 1.859 290 HZ2 TRP 681 2HZ TRP 681 7.614 3.067 2.313 291 HZ3 TRP 681 3HZ TRP 681 3.354 2.816 2.309 292 HH2 TRP 681 HH TRP 681 5.545 1.761 2.530 293 H GLU 682 H GLU 682 4.962 10.399 3.609 294 HA GLU 682 HA GLU 682 6.998 9.119 5.069 295 1HB GLU 682 1HB GLU 682 5.841 11.891 5.125 296 2HB GLU 682 2HB GLU 682 7.076 11.409 6.279 297 1HG GLU 682 1HG GLU 682 8.560 10.824 4.399 298 2HG GLU 682 2HG GLU 682 7.330 11.413 3.281 299 H LYS 683 H LYS 683 4.124 10.831 6.311 300 HA LYS 683 HA LYS 683 4.375 10.100 8.972 301 1HB LYS 683 1HB LYS 683 2.098 10.928 7.239 302 2HB LYS 683 2HB LYS 683 1.720 10.253 8.818 303 1HG LYS 683 1HG LYS 683 1.803 12.607 9.060 304 2HG LYS 683 2HG LYS 683 3.260 11.957 9.817 305 1HD LYS 683 1HD LYS 683 4.630 12.677 8.062 306 2HD LYS 683 2HD LYS 683 3.265 12.887 6.963 307 1HE LYS 683 1HE LYS 683 3.571 14.524 9.464 308 2HE LYS 683 2HE LYS 683 4.327 14.994 7.942 309 1HZ LYS 683 1HZ LYS 683 2.362 16.083 7.746 310 2HZ LYS 683 2HZ LYS 683 1.501 14.969 8.684 311 3HZ LYS 683 3HZ LYS 683 1.884 14.604 7.077 312 H GLU 684 H GLU 684 2.252 8.545 6.558 313 HA GLU 684 HA GLU 684 1.424 6.409 8.117 314 1HB GLU 684 1HB GLU 684 1.915 6.372 5.135 315 2HB GLU 684 2HB GLU 684 0.877 5.272 6.030 316 1HG GLU 684 1HG GLU 684 0.464 8.233 5.692 317 2HG GLU 684 2HG GLU 684 -0.437 6.949 4.888 318 H LEU 685 H LEU 685 4.269 6.671 6.022 319 HA LEU 685 HA LEU 685 5.229 4.106 6.087 320 1HB LEU 685 1HB LEU 685 6.431 5.577 4.764 321 2HB LEU 685 2HB LEU 685 6.577 6.772 6.052 322 HG LEU 685 HG LEU 685 8.112 5.013 7.178 323 1HD1 LEU 685 1HD1 LEU 685 7.532 3.206 5.589 324 2HD1 LEU 685 2HD1 LEU 685 9.263 3.529 5.678 325 3HD1 LEU 685 3HD1 LEU 685 8.326 4.122 4.307 326 1HD2 LEU 685 1HD2 LEU 685 9.363 6.800 6.654 327 2HD2 LEU 685 2HD2 LEU 685 8.619 6.982 5.065 328 3HD2 LEU 685 3HD2 LEU 685 9.914 5.808 5.304 329 H HIS 686 H HIS 686 6.108 6.664 8.416 330 HA HIS 686 HA HIS 686 7.559 5.023 10.154 331 1HB HIS 686 1HB HIS 686 7.647 6.840 11.586 332 2HB HIS 686 2HB HIS 686 7.301 7.629 10.050 333 HD1 HIS 686 1HD HIS 686 5.556 9.352 10.257 334 HD2 HIS 686 2HD HIS 686 4.984 6.259 12.972 335 HE1 HIS 686 1HE HIS 686 3.509 9.984 11.575 336 H LYS 687 H LYS 687 4.124 5.668 9.916 337 HA LYS 687 HA LYS 687 3.353 4.577 12.404 338 1HB LYS 687 1HB LYS 687 1.850 4.912 9.806 339 2HB LYS 687 2HB LYS 687 1.099 4.336 11.288 340 1HG LYS 687 1HG LYS 687 2.030 6.516 12.323 341 2HG LYS 687 2HG LYS 687 2.175 7.049 10.647 342 1HD LYS 687 1HD LYS 687 -0.286 6.282 10.437 343 2HD LYS 687 2HD LYS 687 -0.290 6.343 12.201 344 1HE LYS 687 1HE LYS 687 -0.969 8.472 11.759 345 2HE LYS 687 2HE LYS 687 0.776 8.725 11.753 346 1HZ LYS 687 1HZ LYS 687 0.741 8.480 9.331 347 2HZ LYS 687 2HZ LYS 687 -0.224 9.771 9.844 348 3HZ LYS 687 3HZ LYS 687 -0.943 8.316 9.365 349 H ILE 688 H ILE 688 4.222 3.142 9.373 350 HA ILE 688 HA ILE 688 3.469 0.494 10.428 351 HB ILE 688 HB ILE 688 3.425 -0.290 8.078 352 1HG1 ILE 688 1HG1 ILE 688 3.397 2.594 7.231 353 2HG1 ILE 688 2HG1 ILE 688 4.912 1.704 7.339 354 1HG2 ILE 688 1HG2 ILE 688 1.570 1.737 9.175 355 2HG2 ILE 688 2HG2 ILE 688 1.367 1.296 7.481 356 3HG2 ILE 688 3HG2 ILE 688 1.280 0.055 8.730 357 1HD1 ILE 688 1HD1 ILE 688 3.233 1.827 5.162 358 2HD1 ILE 688 2HD1 ILE 688 4.541 0.671 5.412 359 3HD1 ILE 688 3HD1 ILE 688 2.890 0.247 5.865 360 H VAL 689 H VAL 689 6.022 2.388 10.276 361 HA VAL 689 HA VAL 689 7.965 0.708 8.998 362 HB VAL 689 HB VAL 689 8.096 3.258 9.383 363 1HG1 VAL 689 1HG1 VAL 689 9.487 2.498 11.921 364 2HG1 VAL 689 2HG1 VAL 689 8.901 4.078 11.395 365 3HG1 VAL 689 3HG1 VAL 689 7.758 2.842 11.920 366 1HG2 VAL 689 1HG2 VAL 689 10.709 2.299 10.180 367 2HG2 VAL 689 2HG2 VAL 689 9.998 1.291 8.920 368 3HG2 VAL 689 3HG2 VAL 689 10.191 3.024 8.658 369 H PHE 690 H PHE 690 6.831 1.224 12.286 370 HA PHE 690 HA PHE 690 8.856 -0.493 13.427 371 1HB PHE 690 1HB PHE 690 7.720 -0.072 15.555 372 2HB PHE 690 2HB PHE 690 8.008 1.437 14.694 373 HD1 PHE 690 1HD PHE 690 5.525 -0.820 16.041 374 HD2 PHE 690 2HD PHE 690 6.134 2.599 13.580 375 HE1 PHE 690 1HE PHE 690 3.134 -0.266 16.223 376 HE2 PHE 690 2HE PHE 690 3.745 3.158 13.759 377 HZ PHE 690 HZ PHE 690 2.242 1.725 15.083 378 H ASP 691 H ASP 691 6.589 -1.330 11.467 379 HA ASP 691 HA ASP 691 5.451 -3.513 13.066 380 1HB ASP 691 1HB ASP 691 3.753 -2.303 11.908 381 2HB ASP 691 2HB ASP 691 4.668 -2.329 10.403 382 HA PRO 692 HA PRO 692 8.146 -6.465 11.226 383 1HB PRO 692 1HB PRO 692 6.639 -8.697 11.565 384 2HB PRO 692 2HB PRO 692 7.477 -7.893 12.897 385 1HG PRO 692 1HG PRO 692 4.602 -7.709 12.083 386 2HG PRO 692 2HG PRO 692 5.298 -7.854 13.707 387 1HD PRO 692 1HD PRO 692 4.445 -5.493 12.693 388 2HD PRO 692 2HD PRO 692 5.806 -5.608 13.826 389 H ARG 693 H ARG 693 4.711 -6.803 10.322 390 HA ARG 693 HA ARG 693 5.037 -8.255 7.986 391 1HB ARG 693 1HB ARG 693 2.973 -6.159 8.676 392 2HB ARG 693 2HB ARG 693 2.867 -7.213 7.273 393 1HG ARG 693 1HG ARG 693 2.756 -9.161 8.698 394 2HG ARG 693 2HG ARG 693 2.977 -8.155 10.130 395 1HD ARG 693 1HD ARG 693 0.721 -7.583 8.260 396 2HD ARG 693 2HD ARG 693 0.584 -8.920 9.402 397 HE ARG 693 HE ARG 693 1.403 -6.445 10.613 398 1HH1 ARG 693 2HH1 ARG 693 -1.309 -8.378 9.597 399 2HH1 ARG 693 1HH1 ARG 693 -2.418 -7.637 10.704 400 1HH2 ARG 693 2HH2 ARG 693 -0.047 -5.463 12.074 401 2HH2 ARG 693 1HH2 ARG 693 -1.699 -5.979 12.111 402 H TYR 694 H TYR 694 5.684 -4.911 8.614 403 HA TYR 694 HA TYR 694 5.625 -3.955 5.954 404 1HB TYR 694 1HB TYR 694 5.572 -2.285 7.595 405 2HB TYR 694 2HB TYR 694 6.912 -2.991 8.492 406 HD1 TYR 694 1HD TYR 694 9.211 -3.030 7.213 407 HD2 TYR 694 2HD TYR 694 5.974 -0.439 6.259 408 HE1 TYR 694 1HE TYR 694 10.775 -1.499 6.091 409 HE2 TYR 694 2HE TYR 694 7.529 1.098 5.133 410 HH TYR 694 HH TYR 694 11.015 0.420 5.007 411 H LEU 695 H LEU 695 7.986 -5.716 7.797 412 HA LEU 695 HA LEU 695 10.101 -5.225 5.865 413 1HB LEU 695 1HB LEU 695 10.124 -7.095 8.224 414 2HB LEU 695 2HB LEU 695 11.515 -6.491 7.326 415 HG LEU 695 HG LEU 695 9.709 -4.652 8.871 416 1HD1 LEU 695 1HD1 LEU 695 11.142 -6.699 10.042 417 2HD1 LEU 695 2HD1 LEU 695 10.591 -5.222 10.833 418 3HD1 LEU 695 3HD1 LEU 695 12.221 -5.309 10.166 419 1HD2 LEU 695 1HD2 LEU 695 11.462 -3.110 8.704 420 2HD2 LEU 695 2HD2 LEU 695 11.377 -3.854 7.107 421 3HD2 LEU 695 3HD2 LEU 695 12.630 -4.350 8.246 422 H LEU 696 H LEU 696 7.456 -7.079 5.818 423 HA LEU 696 HA LEU 696 8.658 -9.544 4.869 424 1HB LEU 696 1HB LEU 696 5.793 -8.642 5.092 425 2HB LEU 696 2HB LEU 696 6.287 -10.225 4.495 426 HG LEU 696 HG LEU 696 6.799 -9.172 7.277 427 1HD1 LEU 696 1HD1 LEU 696 4.948 -11.414 6.568 428 2HD1 LEU 696 2HD1 LEU 696 4.390 -9.742 6.544 429 3HD1 LEU 696 3HD1 LEU 696 5.015 -10.441 8.037 430 1HD2 LEU 696 1HD2 LEU 696 8.455 -10.707 7.104 431 2HD2 LEU 696 2HD2 LEU 696 7.665 -11.578 5.790 432 3HD2 LEU 696 3HD2 LEU 696 7.132 -11.820 7.454 433 H LEU 697 H LEU 697 6.816 -6.821 3.560 434 HA LEU 697 HA LEU 697 7.064 -7.875 0.857 435 1HB LEU 697 1HB LEU 697 5.600 -5.581 2.099 436 2HB LEU 697 2HB LEU 697 5.851 -5.638 0.355 437 HG LEU 697 HG LEU 697 4.413 -7.748 1.963 438 1HD1 LEU 697 1HD1 LEU 697 3.346 -5.416 1.741 439 2HD1 LEU 697 2HD1 LEU 697 2.387 -6.827 1.295 440 3HD1 LEU 697 3HD1 LEU 697 3.136 -5.838 0.042 441 1HD2 LEU 697 1HD2 LEU 697 5.093 -8.904 0.117 442 2HD2 LEU 697 2HD2 LEU 697 5.179 -7.461 -0.895 443 3HD2 LEU 697 3HD2 LEU 697 3.613 -8.182 -0.517 444 H ASN 698 H ASN 698 8.222 -6.902 -0.787 445 HA ASN 698 HA ASN 698 10.676 -5.784 -0.217 446 1HB ASN 698 1HB ASN 698 8.984 -5.965 -2.657 447 2HB ASN 698 2HB ASN 698 10.334 -4.834 -2.699 448 1HD2 ASN 698 1HD2 ASN 698 10.415 -6.820 -4.445 449 2HD2 ASN 698 2HD2 ASN 698 11.576 -8.017 -3.993 450 HA PRO 699 HA PRO 699 10.153 -1.505 0.598 451 1HB PRO 699 1HB PRO 699 12.208 -0.378 -0.772 452 2HB PRO 699 2HB PRO 699 12.442 -1.334 0.697 453 1HG PRO 699 1HG PRO 699 12.758 -2.151 -2.165 454 2HG PRO 699 2HG PRO 699 13.798 -2.516 -0.776 455 1HD PRO 699 1HD PRO 699 12.010 -4.293 -1.764 456 2HD PRO 699 2HD PRO 699 12.432 -4.220 -0.041 457 H LYS 700 H LYS 700 10.588 -2.322 -2.816 458 HA LYS 700 HA LYS 700 9.555 0.143 -3.810 459 1HB LYS 700 1HB LYS 700 10.114 -2.542 -5.042 460 2HB LYS 700 2HB LYS 700 9.313 -1.274 -5.961 461 1HG LYS 700 1HG LYS 700 11.210 0.178 -5.716 462 2HG LYS 700 2HG LYS 700 12.000 -0.974 -4.637 463 1HD LYS 700 1HD LYS 700 13.046 -1.454 -6.628 464 2HD LYS 700 2HD LYS 700 11.709 -2.606 -6.668 465 1HE LYS 700 1HE LYS 700 11.396 0.117 -7.868 466 2HE LYS 700 2HE LYS 700 12.221 -1.158 -8.763 467 1HZ LYS 700 1HZ LYS 700 10.012 -2.425 -7.952 468 2HZ LYS 700 2HZ LYS 700 10.157 -1.644 -9.445 469 3HZ LYS 700 3HZ LYS 700 9.410 -0.856 -8.148 470 H GLU 701 H GLU 701 8.186 -3.106 -3.388 471 HA GLU 701 HA GLU 701 5.663 -2.597 -4.480 472 1HB GLU 701 1HB GLU 701 6.628 -4.554 -2.408 473 2HB GLU 701 2HB GLU 701 4.940 -4.491 -2.893 474 1HG GLU 701 1HG GLU 701 5.606 -4.919 -5.216 475 2HG GLU 701 2HG GLU 701 7.287 -5.029 -4.698 476 H ARG 702 H ARG 702 6.822 -2.290 -1.140 477 HA ARG 702 HA ARG 702 4.551 -1.715 0.229 478 1HB ARG 702 1HB ARG 702 7.308 -0.538 0.434 479 2HB ARG 702 2HB ARG 702 6.024 -0.017 1.517 480 1HG ARG 702 1HG ARG 702 5.808 -2.175 2.454 481 2HG ARG 702 2HG ARG 702 6.804 -2.899 1.190 482 1HD ARG 702 1HD ARG 702 8.578 -1.162 2.117 483 2HD ARG 702 2HD ARG 702 7.601 -1.317 3.576 484 HE ARG 702 HE ARG 702 8.078 -3.888 2.826 485 1HH1 ARG 702 2HH1 ARG 702 10.091 -1.121 3.470 486 2HH1 ARG 702 1HH1 ARG 702 11.432 -2.064 4.030 487 1HH2 ARG 702 2HH2 ARG 702 9.837 -5.140 3.561 488 2HH2 ARG 702 1HH2 ARG 702 11.287 -4.350 4.081 489 H LYS 703 H LYS 703 6.395 0.558 -1.774 490 HA LYS 703 HA LYS 703 4.662 2.767 -1.276 491 1HB LYS 703 1HB LYS 703 7.130 2.723 -2.134 492 2HB LYS 703 2HB LYS 703 6.387 2.555 -3.719 493 1HG LYS 703 1HG LYS 703 5.463 4.741 -1.923 494 2HG LYS 703 2HG LYS 703 7.007 4.909 -2.762 495 1HD LYS 703 1HD LYS 703 4.470 4.169 -4.198 496 2HD LYS 703 2HD LYS 703 4.946 5.848 -3.930 497 1HE LYS 703 1HE LYS 703 6.871 3.919 -5.161 498 2HE LYS 703 2HE LYS 703 5.604 4.650 -6.145 499 1HZ LYS 703 1HZ LYS 703 7.554 5.983 -6.310 500 2HZ LYS 703 2HZ LYS 703 7.725 6.067 -4.630 501 3HZ LYS 703 3HZ LYS 703 6.428 6.844 -5.388 502 H GLN 704 H GLN 704 5.002 0.453 -3.942 503 HA GLN 704 HA GLN 704 3.108 1.541 -5.672 504 1HB GLN 704 1HB GLN 704 4.214 -1.206 -5.257 505 2HB GLN 704 2HB GLN 704 2.848 -0.990 -6.343 506 1HG GLN 704 1HG GLN 704 5.262 0.730 -6.657 507 2HG GLN 704 2HG GLN 704 5.283 -0.928 -7.256 508 1HE2 GLN 704 1HE2 GLN 704 4.475 -1.306 -9.202 509 2HE2 GLN 704 2HE2 GLN 704 3.513 -0.206 -10.124 510 H VAL 705 H VAL 705 2.633 -1.198 -3.431 511 HA VAL 705 HA VAL 705 -0.113 -1.449 -3.744 512 HB VAL 705 HB VAL 705 1.568 -2.009 -1.299 513 1HG1 VAL 705 1HG1 VAL 705 -0.894 -1.710 -0.853 514 2HG1 VAL 705 2HG1 VAL 705 -1.170 -3.109 -1.892 515 3HG1 VAL 705 3HG1 VAL 705 -0.226 -3.281 -0.412 516 1HG2 VAL 705 1HG2 VAL 705 2.381 -3.567 -2.707 517 2HG2 VAL 705 2HG2 VAL 705 0.879 -4.413 -2.335 518 3HG2 VAL 705 3HG2 VAL 705 1.005 -3.445 -3.804 519 H PHE 706 H PHE 706 1.689 0.484 -1.367 520 HA PHE 706 HA PHE 706 -0.475 1.480 0.070 521 1HB PHE 706 1HB PHE 706 1.657 1.866 0.991 522 2HB PHE 706 2HB PHE 706 2.267 2.580 -0.498 523 HD1 PHE 706 1HD PHE 706 2.274 4.883 -0.776 524 HD2 PHE 706 2HD PHE 706 -0.167 3.148 2.248 525 HE1 PHE 706 1HE PHE 706 1.753 7.128 0.086 526 HE2 PHE 706 2HE PHE 706 -0.693 5.390 3.115 527 HZ PHE 706 HZ PHE 706 0.267 7.384 2.033 528 H ASP 707 H ASP 707 1.023 2.676 -2.898 529 HA ASP 707 HA ASP 707 -0.372 5.088 -3.122 530 1HB ASP 707 1HB ASP 707 1.591 4.420 -4.512 531 2HB ASP 707 2HB ASP 707 0.542 3.313 -5.394 532 H GLN 708 H GLN 708 -1.151 1.885 -4.462 533 HA GLN 708 HA GLN 708 -3.548 2.636 -5.718 534 1HB GLN 708 1HB GLN 708 -2.854 -0.075 -4.576 535 2HB GLN 708 2HB GLN 708 -4.050 0.263 -5.820 536 1HG GLN 708 1HG GLN 708 -1.961 1.294 -7.056 537 2HG GLN 708 2HG GLN 708 -1.091 0.181 -6.002 538 1HE2 GLN 708 1HE2 GLN 708 -0.970 -0.121 -8.703 539 2HE2 GLN 708 2HE2 GLN 708 -1.832 -1.540 -9.179 540 H TYR 709 H TYR 709 -2.897 1.388 -2.471 541 HA TYR 709 HA TYR 709 -5.538 1.062 -1.624 542 1HB TYR 709 1HB TYR 709 -3.901 0.126 -0.229 543 2HB TYR 709 2HB TYR 709 -2.967 1.617 -0.168 544 HD1 TYR 709 1HD TYR 709 -5.684 -0.282 1.305 545 HD2 TYR 709 2HD TYR 709 -3.748 3.506 1.239 546 HE1 TYR 709 1HE TYR 709 -6.782 0.309 3.425 547 HE2 TYR 709 2HE TYR 709 -4.840 4.107 3.359 548 HH TYR 709 HH TYR 709 -7.378 2.214 4.720 549 H VAL 710 H VAL 710 -3.469 3.911 -1.679 550 HA VAL 710 HA VAL 710 -5.217 5.590 -0.193 551 HB VAL 710 HB VAL 710 -3.030 6.310 -2.150 552 1HG1 VAL 710 1HG1 VAL 710 -3.704 8.261 -0.094 553 2HG1 VAL 710 2HG1 VAL 710 -3.441 8.483 -1.825 554 3HG1 VAL 710 3HG1 VAL 710 -5.021 7.970 -1.231 555 1HG2 VAL 710 1HG2 VAL 710 -2.715 5.040 0.199 556 2HG2 VAL 710 2HG2 VAL 710 -1.539 6.181 -0.455 557 3HG2 VAL 710 3HG2 VAL 710 -2.706 6.714 0.756 558 H LYS 711 H LYS 711 -4.653 5.138 -3.669 559 HA LYS 711 HA LYS 711 -6.310 7.097 -4.683 560 1HB LYS 711 1HB LYS 711 -4.791 5.568 -5.985 561 2HB LYS 711 2HB LYS 711 -6.027 4.325 -5.848 562 1HG LYS 711 1HG LYS 711 -7.609 5.866 -6.997 563 2HG LYS 711 2HG LYS 711 -6.259 6.973 -7.257 564 1HD LYS 711 1HD LYS 711 -5.253 5.601 -8.794 565 2HD LYS 711 2HD LYS 711 -5.948 4.135 -8.101 566 1HE LYS 711 1HE LYS 711 -7.553 6.215 -9.574 567 2HE LYS 711 2HE LYS 711 -6.858 4.791 -10.347 568 1HZ LYS 711 1HZ LYS 711 -8.863 3.934 -9.836 569 2HZ LYS 711 2HZ LYS 711 -9.137 5.002 -8.553 570 3HZ LYS 711 3HZ LYS 711 -8.142 3.651 -8.331 571 H THR 712 H THR 712 -7.187 3.730 -3.919 572 HA THR 712 HA THR 712 -9.943 4.065 -4.504 573 HB THR 712 HB THR 712 -10.145 1.934 -3.039 574 HG1 THR 712 1HG THR 712 -8.081 2.246 -2.006 575 1HG2 THR 712 1HG2 THR 712 -9.752 0.643 -4.901 576 2HG2 THR 712 2HG2 THR 712 -8.276 1.511 -5.325 577 3HG2 THR 712 3HG2 THR 712 -9.850 2.242 -5.639 578 H ARG 713 H ARG 713 -8.004 4.528 -1.634 579 HA ARG 713 HA ARG 713 -10.105 4.590 0.254 580 1HB ARG 713 1HB ARG 713 -7.265 5.479 0.191 581 2HB ARG 713 2HB ARG 713 -8.299 6.151 1.445 582 1HG ARG 713 1HG ARG 713 -7.981 3.201 0.955 583 2HG ARG 713 2HG ARG 713 -7.009 4.118 2.107 584 1HD ARG 713 1HD ARG 713 -10.016 4.071 2.175 585 2HD ARG 713 2HD ARG 713 -9.022 2.905 3.048 586 HE ARG 713 HE ARG 713 -8.380 4.579 4.522 587 1HH1 ARG 713 2HH1 ARG 713 -10.308 5.875 1.930 588 2HH1 ARG 713 1HH1 ARG 713 -10.573 7.398 2.713 589 1HH2 ARG 713 2HH2 ARG 713 -8.721 6.579 5.564 590 2HH2 ARG 713 1HH2 ARG 713 -9.669 7.797 4.780 591 H ALA 714 H ALA 714 -8.729 7.005 -1.881 592 HA ALA 714 HA ALA 714 -10.182 9.186 -0.666 593 1HB ALA 714 1HB ALA 714 -8.007 8.917 -2.493 594 2HB ALA 714 2HB ALA 714 -9.247 9.941 -3.218 595 3HB ALA 714 3HB ALA 714 -8.572 10.356 -1.643 596 H GLU 715 H GLU 715 -10.347 7.359 -3.711 597 HA GLU 715 HA GLU 715 -12.459 8.704 -4.905 598 1HB GLU 715 1HB GLU 715 -12.529 6.983 -6.420 599 2HB GLU 715 2HB GLU 715 -10.941 6.704 -5.718 600 1HG GLU 715 1HG GLU 715 -11.859 4.992 -4.264 601 2HG GLU 715 2HG GLU 715 -13.473 5.294 -4.905 602 H GLU 716 H GLU 716 -12.530 6.019 -2.596 603 HA GLU 716 HA GLU 716 -15.113 5.256 -2.546 604 1HB GLU 716 1HB GLU 716 -13.236 4.567 -0.968 605 2HB GLU 716 2HB GLU 716 -13.677 5.961 0.009 606 1HG GLU 716 1HG GLU 716 -15.759 3.964 -0.748 607 2HG GLU 716 2HG GLU 716 -14.640 3.617 0.569 608 H GLU 717 H GLU 717 -13.909 8.387 -1.680 609 HA GLU 717 HA GLU 717 -16.145 9.291 -0.195 610 1HB GLU 717 1HB GLU 717 -13.717 10.295 -0.530 611 2HB GLU 717 2HB GLU 717 -14.513 11.193 -1.815 612 1HG GLU 717 1HG GLU 717 -15.433 11.157 1.048 613 2HG GLU 717 2HG GLU 717 -14.395 12.397 0.347 614 H ARG 718 H ARG 718 -18.131 9.211 -1.043 615 HA ARG 718 HA ARG 718 -19.053 9.065 -3.536 616 1HB ARG 718 1HB ARG 718 -20.280 9.490 -1.217 617 2HB ARG 718 2HB ARG 718 -20.419 11.119 -1.864 618 1HG ARG 718 1HG ARG 718 -21.307 9.827 -3.985 619 2HG ARG 718 2HG ARG 718 -21.687 8.598 -2.777 620 1HD ARG 718 1HD ARG 718 -23.071 10.101 -1.563 621 2HD ARG 718 2HD ARG 718 -22.509 11.480 -2.507 622 HE ARG 718 HE ARG 718 -23.798 9.455 -4.085 623 1HH1 ARG 718 2HH1 ARG 718 -24.281 12.281 -2.109 624 2HH1 ARG 718 1HH1 ARG 718 -25.793 12.696 -2.844 625 1HH2 ARG 718 2HH2 ARG 718 -25.788 9.992 -5.060 626 2HH2 ARG 718 1HH2 ARG 718 -26.651 11.393 -4.522 627 H ARG 719 H ARG 719 -19.487 10.360 -5.296 628 HA ARG 719 HA ARG 719 -18.303 13.059 -5.231 629 1HB ARG 719 1HB ARG 719 -16.981 11.401 -6.549 630 2HB ARG 719 2HB ARG 719 -18.375 11.181 -7.598 631 1HG ARG 719 1HG ARG 719 -18.254 13.655 -8.076 632 2HG ARG 719 2HG ARG 719 -16.694 13.645 -7.250 633 1HD ARG 719 1HD ARG 719 -16.283 13.428 -9.592 634 2HD ARG 719 2HD ARG 719 -15.951 11.869 -8.839 635 HE ARG 719 HE ARG 719 -18.580 11.779 -9.678 636 1HH1 ARG 719 2HH1 ARG 719 -15.447 12.195 -11.137 637 2HH1 ARG 719 1HH1 ARG 719 -15.910 11.477 -12.644 638 1HH2 ARG 719 2HH2 ARG 719 -19.201 10.832 -11.657 639 2HH2 ARG 719 1HH2 ARG 719 -18.046 10.703 -12.940 640 H SER 720 H SER 720 -19.398 14.707 -6.240 641 HA SER 720 HA SER 720 -22.126 14.758 -6.259 642 1HB SER 720 1HB SER 720 -20.894 16.813 -6.418 643 2HB SER 720 2HB SER 720 -20.200 16.342 -7.969 644 HG SER 720 HG SER 720 -21.882 17.190 -8.872 645 H GLY 721 H GLY 721 -23.289 13.170 -7.208 646 1HA GLY 721 1HA GLY 721 -23.993 13.247 -9.863 647 2HA GLY 721 2HA GLY 721 -22.662 12.102 -9.787 648 HA PRO 722 HA PRO 722 -26.902 10.291 -8.433 649 1HB PRO 722 1HB PRO 722 -27.792 9.298 -10.797 650 2HB PRO 722 2HB PRO 722 -28.212 10.913 -10.215 651 1HG PRO 722 1HG PRO 722 -26.125 10.098 -12.201 652 2HG PRO 722 2HG PRO 722 -27.264 11.455 -12.268 653 1HD PRO 722 1HD PRO 722 -24.673 11.762 -11.542 654 2HD PRO 722 2HD PRO 722 -25.977 12.768 -10.878 655 H SER 723 H SER 723 -24.107 9.396 -10.170 656 HA SER 723 HA SER 723 -24.243 6.783 -10.779 657 1HB SER 723 1HB SER 723 -22.046 8.187 -9.251 658 2HB SER 723 2HB SER 723 -21.879 6.560 -9.910 659 HG SER 723 HG SER 723 -21.199 7.689 -11.579 660 H SER 724 H SER 724 -24.662 4.898 -9.814 661 HA SER 724 HA SER 724 -24.392 4.646 -6.918 662 1HB SER 724 1HB SER 724 -26.735 5.394 -7.369 663 2HB SER 724 2HB SER 724 -26.970 3.941 -8.340 664 HG SER 724 HG SER 724 -27.336 2.910 -6.560 665 H GLY 725 H GLY 725 -24.491 2.415 -6.177 666 1HA GLY 725 1HA GLY 725 -23.506 0.592 -8.263 667 2HA GLY 725 2HA GLY 725 -23.205 0.434 -6.538 Start of MODEL 8 1 1H GLY 644 H GLY 644 -19.263 -11.269 10.134 2 1HA GLY 644 1HA GLY 644 -16.583 -10.491 9.170 3 2HA GLY 644 2HA GLY 644 -16.824 -11.963 10.098 4 H SER 645 H SER 645 -17.675 -10.333 7.081 5 HA SER 645 HA SER 645 -18.411 -12.921 5.912 6 1HB SER 645 1HB SER 645 -18.797 -10.125 4.815 7 2HB SER 645 2HB SER 645 -19.390 -11.613 4.078 8 HG SER 645 HG SER 645 -20.982 -11.658 5.459 9 H SER 646 H SER 646 -15.708 -12.559 6.425 10 HA SER 646 HA SER 646 -14.522 -11.912 3.820 11 1HB SER 646 1HB SER 646 -13.649 -10.949 6.058 12 2HB SER 646 2HB SER 646 -12.960 -12.552 6.313 13 HG SER 646 HG SER 646 -11.518 -11.059 5.273 14 H GLY 647 H GLY 647 -14.209 -14.399 6.365 15 1HA GLY 647 1HA GLY 647 -14.524 -16.741 5.726 16 2HA GLY 647 2HA GLY 647 -13.714 -16.362 4.213 17 H SER 648 H SER 648 -13.321 -17.154 7.557 18 HA SER 648 HA SER 648 -10.411 -16.938 7.373 19 1HB SER 648 1HB SER 648 -12.346 -17.292 9.639 20 2HB SER 648 2HB SER 648 -10.653 -17.736 9.854 21 HG SER 648 HG SER 648 -10.138 -15.697 9.910 22 H SER 649 H SER 649 -9.689 -18.631 6.181 23 HA SER 649 HA SER 649 -9.674 -21.215 7.403 24 1HB SER 649 1HB SER 649 -11.875 -21.323 6.313 25 2HB SER 649 2HB SER 649 -11.134 -20.912 4.766 26 HG SER 649 HG SER 649 -10.953 -23.285 6.257 27 H GLY 650 H GLY 650 -7.953 -22.419 6.734 28 1HA GLY 650 1HA GLY 650 -6.665 -22.638 4.390 29 2HA GLY 650 2HA GLY 650 -6.071 -21.089 4.970 30 H ALA 651 H ALA 651 -5.787 -24.482 5.168 31 HA ALA 651 HA ALA 651 -4.148 -24.387 7.582 32 1HB ALA 651 1HB ALA 651 -4.439 -26.642 7.771 33 2HB ALA 651 2HB ALA 651 -5.900 -26.231 6.872 34 3HB ALA 651 3HB ALA 651 -4.501 -26.895 6.027 35 H ARG 652 H ARG 652 -2.211 -23.479 7.096 36 HA ARG 652 HA ARG 652 -0.805 -24.029 4.664 37 1HB ARG 652 1HB ARG 652 1.050 -22.764 5.767 38 2HB ARG 652 2HB ARG 652 -0.475 -21.891 5.696 39 1HG ARG 652 1HG ARG 652 -0.861 -22.132 7.979 40 2HG ARG 652 2HG ARG 652 0.298 -23.454 8.129 41 1HD ARG 652 1HD ARG 652 2.133 -22.014 7.995 42 2HD ARG 652 2HD ARG 652 1.172 -20.708 7.303 43 HE ARG 652 HE ARG 652 1.590 -21.235 10.064 44 1HH1 ARG 652 2HH1 ARG 652 -0.771 -20.066 7.789 45 2HH1 ARG 652 1HH1 ARG 652 -1.596 -19.082 8.951 46 1HH2 ARG 652 2HH2 ARG 652 0.513 -19.943 11.604 47 2HH2 ARG 652 1HH2 ARG 652 -0.864 -19.012 11.121 48 H GLU 653 H GLU 653 0.795 -25.463 4.268 49 HA GLU 653 HA GLU 653 1.639 -27.193 6.500 50 1HB GLU 653 1HB GLU 653 1.787 -29.049 4.884 51 2HB GLU 653 2HB GLU 653 0.150 -28.422 5.026 52 1HG GLU 653 1HG GLU 653 0.504 -27.121 2.961 53 2HG GLU 653 2HG GLU 653 2.101 -27.853 2.806 54 H ARG 654 H ARG 654 2.544 -25.969 3.288 55 HA ARG 654 HA ARG 654 5.360 -26.481 3.897 56 1HB ARG 654 1HB ARG 654 3.814 -25.958 1.392 57 2HB ARG 654 2HB ARG 654 5.532 -25.582 1.425 58 1HG ARG 654 1HG ARG 654 4.436 -28.277 2.177 59 2HG ARG 654 2HG ARG 654 4.910 -27.850 0.532 60 1HD ARG 654 1HD ARG 654 7.171 -27.434 1.236 61 2HD ARG 654 2HD ARG 654 6.729 -27.659 2.927 62 HE ARG 654 HE ARG 654 6.093 -29.982 1.469 63 1HH1 ARG 654 2HH1 ARG 654 8.839 -28.204 2.660 64 2HH1 ARG 654 1HH1 ARG 654 9.852 -29.603 2.794 65 1HH2 ARG 654 2HH2 ARG 654 7.416 -31.832 1.642 66 2HH2 ARG 654 1HH2 ARG 654 9.042 -31.666 2.214 67 H ALA 655 H ALA 655 6.950 -24.791 3.368 68 HA ALA 655 HA ALA 655 6.079 -22.239 4.444 69 1HB ALA 655 1HB ALA 655 8.558 -21.723 4.328 70 2HB ALA 655 2HB ALA 655 8.079 -23.038 5.402 71 3HB ALA 655 3HB ALA 655 8.782 -23.399 3.826 72 H ILE 656 H ILE 656 4.796 -21.599 2.603 73 HA ILE 656 HA ILE 656 6.443 -20.333 0.534 74 HB ILE 656 HB ILE 656 3.923 -21.898 -0.037 75 1HG1 ILE 656 1HG1 ILE 656 6.698 -22.414 -1.100 76 2HG1 ILE 656 2HG1 ILE 656 6.099 -23.176 0.369 77 1HG2 ILE 656 1HG2 ILE 656 5.178 -19.735 -1.436 78 2HG2 ILE 656 2HG2 ILE 656 5.256 -21.204 -2.409 79 3HG2 ILE 656 3HG2 ILE 656 3.699 -20.610 -1.831 80 1HD1 ILE 656 1HD1 ILE 656 4.103 -23.655 -1.469 81 2HD1 ILE 656 2HD1 ILE 656 5.590 -23.829 -2.401 82 3HD1 ILE 656 3HD1 ILE 656 5.344 -24.792 -0.944 83 H VAL 657 H VAL 657 6.077 -18.227 0.662 84 HA VAL 657 HA VAL 657 3.452 -17.276 1.568 85 HB VAL 657 HB VAL 657 6.082 -15.804 1.357 86 1HG1 VAL 657 1HG1 VAL 657 3.978 -14.592 2.961 87 2HG1 VAL 657 2HG1 VAL 657 5.027 -13.872 1.738 88 3HG1 VAL 657 3HG1 VAL 657 3.556 -14.715 1.253 89 1HG2 VAL 657 1HG2 VAL 657 5.808 -17.572 3.159 90 2HG2 VAL 657 2HG2 VAL 657 6.236 -15.951 3.705 91 3HG2 VAL 657 3HG2 VAL 657 4.575 -16.522 3.857 92 HA PRO 658 HA PRO 658 2.951 -16.437 -2.866 93 1HB PRO 658 1HB PRO 658 0.245 -16.264 -2.736 94 2HB PRO 658 2HB PRO 658 1.106 -17.805 -2.837 95 1HG PRO 658 1HG PRO 658 -0.039 -16.429 -0.438 96 2HG PRO 658 2HG PRO 658 -0.105 -18.144 -0.881 97 1HD PRO 658 1HD PRO 658 1.643 -17.178 0.947 98 2HD PRO 658 2HD PRO 658 2.026 -18.556 -0.105 99 H LEU 659 H LEU 659 2.399 -14.564 -3.999 100 HA LEU 659 HA LEU 659 2.826 -12.123 -2.819 101 1HB LEU 659 1HB LEU 659 2.969 -12.317 -5.175 102 2HB LEU 659 2HB LEU 659 1.293 -12.847 -5.301 103 HG LEU 659 HG LEU 659 0.724 -10.488 -4.404 104 1HD1 LEU 659 1HD1 LEU 659 2.934 -9.803 -3.746 105 2HD1 LEU 659 2HD1 LEU 659 2.389 -8.785 -5.078 106 3HD1 LEU 659 3HD1 LEU 659 3.548 -10.080 -5.376 107 1HD2 LEU 659 1HD2 LEU 659 1.576 -9.801 -6.982 108 2HD2 LEU 659 2HD2 LEU 659 -0.010 -10.402 -6.498 109 3HD2 LEU 659 3HD2 LEU 659 1.236 -11.531 -7.032 110 H GLU 660 H GLU 660 -0.288 -13.697 -3.454 111 HA GLU 660 HA GLU 660 -1.956 -11.623 -2.604 112 1HB GLU 660 1HB GLU 660 -2.273 -14.602 -2.754 113 2HB GLU 660 2HB GLU 660 -3.536 -13.617 -2.029 114 1HG GLU 660 1HG GLU 660 -3.462 -12.260 -4.196 115 2HG GLU 660 2HG GLU 660 -2.555 -13.619 -4.857 116 H ALA 661 H ALA 661 -0.448 -14.255 -0.784 117 HA ALA 661 HA ALA 661 -1.696 -13.785 1.683 118 1HB ALA 661 1HB ALA 661 0.907 -15.065 0.920 119 2HB ALA 661 2HB ALA 661 0.419 -14.902 2.608 120 3HB ALA 661 3HB ALA 661 -0.580 -15.826 1.486 121 H ARG 662 H ARG 662 1.658 -12.921 0.811 122 HA ARG 662 HA ARG 662 2.173 -11.271 2.970 123 1HB ARG 662 1HB ARG 662 3.877 -10.179 1.460 124 2HB ARG 662 2HB ARG 662 3.985 -11.930 1.578 125 1HG ARG 662 1HG ARG 662 2.534 -11.930 -0.559 126 2HG ARG 662 2HG ARG 662 3.049 -10.248 -0.706 127 1HD ARG 662 1HD ARG 662 5.427 -11.339 -0.265 128 2HD ARG 662 2HD ARG 662 4.626 -12.754 -0.945 129 HE ARG 662 HE ARG 662 4.270 -10.387 -2.523 130 1HH1 ARG 662 2HH1 ARG 662 6.390 -13.063 -1.844 131 2HH1 ARG 662 1HH1 ARG 662 7.154 -13.022 -3.399 132 1HH2 ARG 662 2HH2 ARG 662 5.268 -10.322 -4.573 133 2HH2 ARG 662 1HH2 ARG 662 6.516 -11.461 -4.950 134 H MET 663 H MET 663 1.086 -10.273 -0.278 135 HA MET 663 HA MET 663 0.846 -7.562 0.160 136 1HB MET 663 1HB MET 663 -0.668 -9.464 -1.601 137 2HB MET 663 2HB MET 663 -1.099 -7.760 -1.551 138 1HG MET 663 1HG MET 663 1.335 -7.283 -2.081 139 2HG MET 663 2HG MET 663 1.478 -9.000 -2.449 140 1HE MET 663 1HE MET 663 0.829 -6.088 -5.510 141 2HE MET 663 2HE MET 663 0.493 -5.510 -3.877 142 3HE MET 663 3HE MET 663 2.001 -6.360 -4.219 143 H LYS 664 H LYS 664 -1.564 -10.094 0.779 144 HA LYS 664 HA LYS 664 -3.683 -8.502 1.592 145 1HB LYS 664 1HB LYS 664 -2.818 -11.289 2.260 146 2HB LYS 664 2HB LYS 664 -4.167 -10.575 3.134 147 1HG LYS 664 1HG LYS 664 -4.198 -10.439 0.168 148 2HG LYS 664 2HG LYS 664 -4.523 -11.993 0.941 149 1HD LYS 664 1HD LYS 664 -6.647 -11.159 0.867 150 2HD LYS 664 2HD LYS 664 -6.134 -10.502 2.424 151 1HE LYS 664 1HE LYS 664 -7.281 -8.863 0.921 152 2HE LYS 664 2HE LYS 664 -5.675 -8.372 1.459 153 1HZ LYS 664 1HZ LYS 664 -6.073 -9.746 -1.126 154 2HZ LYS 664 2HZ LYS 664 -4.768 -8.794 -0.626 155 3HZ LYS 664 3HZ LYS 664 -6.252 -8.069 -0.988 156 H GLN 665 H GLN 665 -0.964 -9.745 3.493 157 HA GLN 665 HA GLN 665 -1.803 -8.852 6.006 158 1HB GLN 665 1HB GLN 665 0.951 -9.302 4.863 159 2HB GLN 665 2HB GLN 665 0.679 -8.868 6.546 160 1HG GLN 665 1HG GLN 665 -0.800 -11.194 5.447 161 2HG GLN 665 2HG GLN 665 0.924 -11.375 5.769 162 1HE2 GLN 665 1HE2 GLN 665 1.048 -12.529 7.569 163 2HE2 GLN 665 2HE2 GLN 665 0.233 -12.174 9.050 164 H PHE 666 H PHE 666 0.548 -7.301 3.813 165 HA PHE 666 HA PHE 666 0.941 -4.962 5.207 166 1HB PHE 666 1HB PHE 666 2.070 -5.774 3.049 167 2HB PHE 666 2HB PHE 666 0.731 -5.005 2.203 168 HD1 PHE 666 1HD PHE 666 3.620 -4.405 4.411 169 HD2 PHE 666 2HD PHE 666 0.637 -2.656 1.929 170 HE1 PHE 666 1HE PHE 666 4.803 -2.250 4.512 171 HE2 PHE 666 2HE PHE 666 1.815 -0.499 2.026 172 HZ PHE 666 HZ PHE 666 3.902 -0.294 3.318 173 H LYS 667 H LYS 667 -1.502 -5.558 2.688 174 HA LYS 667 HA LYS 667 -2.724 -3.038 2.807 175 1HB LYS 667 1HB LYS 667 -3.010 -4.916 1.068 176 2HB LYS 667 2HB LYS 667 -4.213 -5.574 2.170 177 1HG LYS 667 1HG LYS 667 -5.403 -3.379 2.050 178 2HG LYS 667 2HG LYS 667 -4.271 -2.907 0.780 179 1HD LYS 667 1HD LYS 667 -5.121 -4.440 -0.728 180 2HD LYS 667 2HD LYS 667 -5.779 -5.477 0.540 181 1HE LYS 667 1HE LYS 667 -7.288 -3.388 1.027 182 2HE LYS 667 2HE LYS 667 -6.888 -2.969 -0.638 183 1HZ LYS 667 1HZ LYS 667 -8.437 -5.247 0.382 184 2HZ LYS 667 2HZ LYS 667 -7.598 -5.415 -1.077 185 3HZ LYS 667 3HZ LYS 667 -8.776 -4.212 -0.912 186 H ASP 668 H ASP 668 -3.209 -5.958 4.696 187 HA ASP 668 HA ASP 668 -5.615 -5.245 5.956 188 1HB ASP 668 1HB ASP 668 -4.820 -7.515 6.080 189 2HB ASP 668 2HB ASP 668 -3.341 -7.004 6.888 190 H MET 669 H MET 669 -2.275 -4.973 7.187 191 HA MET 669 HA MET 669 -2.919 -3.572 9.523 192 1HB MET 669 1HB MET 669 -0.493 -2.800 9.392 193 2HB MET 669 2HB MET 669 -0.769 -4.536 9.419 194 1HG MET 669 1HG MET 669 -0.407 -4.682 7.048 195 2HG MET 669 2HG MET 669 -0.286 -2.929 6.923 196 1HE MET 669 1HE MET 669 1.782 -2.691 5.798 197 2HE MET 669 2HE MET 669 2.100 -1.642 7.180 198 3HE MET 669 3HE MET 669 3.352 -2.741 6.599 199 H LEU 670 H LEU 670 -2.274 -2.456 6.251 200 HA LEU 670 HA LEU 670 -1.957 0.267 6.732 201 1HB LEU 670 1HB LEU 670 -3.015 -1.297 4.409 202 2HB LEU 670 2HB LEU 670 -3.023 0.465 4.381 203 HG LEU 670 HG LEU 670 -0.551 -1.226 4.736 204 1HD1 LEU 670 1HD1 LEU 670 -0.188 -0.140 2.352 205 2HD1 LEU 670 2HD1 LEU 670 -1.949 -0.209 2.324 206 3HD1 LEU 670 3HD1 LEU 670 -1.013 -1.686 2.555 207 1HD2 LEU 670 1HD2 LEU 670 -1.010 1.724 4.356 208 2HD2 LEU 670 2HD2 LEU 670 0.556 0.948 4.122 209 3HD2 LEU 670 3HD2 LEU 670 -0.217 0.913 5.707 210 H LEU 671 H LEU 671 -4.935 -1.559 6.065 211 HA LEU 671 HA LEU 671 -6.641 0.708 6.335 212 1HB LEU 671 1HB LEU 671 -7.162 -1.383 5.055 213 2HB LEU 671 2HB LEU 671 -7.386 -2.199 6.601 214 HG LEU 671 HG LEU 671 -9.215 -0.553 7.098 215 1HD1 LEU 671 1HD1 LEU 671 -10.175 0.413 4.873 216 2HD1 LEU 671 2HD1 LEU 671 -8.500 0.306 4.332 217 3HD1 LEU 671 3HD1 LEU 671 -8.909 1.280 5.744 218 1HD2 LEU 671 1HD2 LEU 671 -10.858 -1.693 5.738 219 2HD2 LEU 671 2HD2 LEU 671 -9.636 -2.842 6.283 220 3HD2 LEU 671 3HD2 LEU 671 -9.602 -2.237 4.625 221 H GLU 672 H GLU 672 -5.779 -1.992 8.472 222 HA GLU 672 HA GLU 672 -7.461 -1.300 10.609 223 1HB GLU 672 1HB GLU 672 -5.008 -2.966 10.304 224 2HB GLU 672 2HB GLU 672 -5.516 -2.535 11.930 225 1HG GLU 672 1HG GLU 672 -7.794 -3.448 11.313 226 2HG GLU 672 2HG GLU 672 -7.024 -4.117 9.875 227 H ARG 673 H ARG 673 -3.922 -0.863 10.478 228 HA ARG 673 HA ARG 673 -3.517 0.694 12.650 229 1HB ARG 673 1HB ARG 673 -2.253 0.784 9.928 230 2HB ARG 673 2HB ARG 673 -1.741 1.900 11.187 231 1HG ARG 673 1HG ARG 673 -1.805 -1.057 11.661 232 2HG ARG 673 2HG ARG 673 -0.427 -0.273 10.885 233 1HD ARG 673 1HD ARG 673 0.258 -0.176 13.059 234 2HD ARG 673 2HD ARG 673 -0.632 1.343 12.965 235 HE ARG 673 HE ARG 673 -2.492 -0.477 13.774 236 1HH1 ARG 673 2HH1 ARG 673 0.631 0.523 14.942 237 2HH1 ARG 673 1HH1 ARG 673 0.261 0.194 16.602 238 1HH2 ARG 673 2HH2 ARG 673 -2.992 -0.914 15.956 239 2HH2 ARG 673 1HH2 ARG 673 -1.800 -0.624 17.178 240 H GLY 674 H GLY 674 -5.232 1.596 9.789 241 1HA GLY 674 1HA GLY 674 -6.705 3.400 9.591 242 2HA GLY 674 2HA GLY 674 -6.004 4.101 11.042 243 H VAL 675 H VAL 675 -4.507 3.084 7.982 244 HA VAL 675 HA VAL 675 -2.879 5.424 7.875 245 HB VAL 675 HB VAL 675 -3.381 3.181 5.934 246 1HG1 VAL 675 1HG1 VAL 675 -3.007 4.921 4.434 247 2HG1 VAL 675 2HG1 VAL 675 -1.864 5.730 5.508 248 3HG1 VAL 675 3HG1 VAL 675 -1.397 4.244 4.681 249 1HG2 VAL 675 1HG2 VAL 675 -1.845 2.260 7.273 250 2HG2 VAL 675 2HG2 VAL 675 -0.695 3.332 6.474 251 3HG2 VAL 675 3HG2 VAL 675 -1.425 3.808 8.007 252 H SER 676 H SER 676 -3.806 7.348 7.535 253 HA SER 676 HA SER 676 -6.189 7.760 6.077 254 1HB SER 676 1HB SER 676 -5.217 9.285 7.853 255 2HB SER 676 2HB SER 676 -4.075 9.847 6.632 256 HG SER 676 HG SER 676 -5.589 11.117 5.954 257 H ALA 677 H ALA 677 -6.570 8.399 4.003 258 HA ALA 677 HA ALA 677 -4.514 7.836 2.071 259 1HB ALA 677 1HB ALA 677 -6.967 7.259 1.830 260 2HB ALA 677 2HB ALA 677 -7.238 8.968 1.488 261 3HB ALA 677 3HB ALA 677 -6.201 8.010 0.431 262 H PHE 678 H PHE 678 -6.317 10.707 3.111 263 HA PHE 678 HA PHE 678 -5.187 12.499 1.256 264 1HB PHE 678 1HB PHE 678 -6.324 13.030 4.009 265 2HB PHE 678 2HB PHE 678 -5.972 14.268 2.808 266 HD1 PHE 678 1HD PHE 678 -7.265 14.323 0.686 267 HD2 PHE 678 2HD PHE 678 -8.309 11.757 3.918 268 HE1 PHE 678 1HE PHE 678 -9.511 14.033 -0.274 269 HE2 PHE 678 2HE PHE 678 -10.556 11.462 2.962 270 HZ PHE 678 HZ PHE 678 -11.160 12.600 0.863 271 H SER 679 H SER 679 -3.935 11.060 4.105 272 HA SER 679 HA SER 679 -2.029 13.047 4.800 273 1HB SER 679 1HB SER 679 -2.382 10.140 5.456 274 2HB SER 679 2HB SER 679 -0.890 10.965 5.906 275 HG SER 679 HG SER 679 -2.220 12.513 7.006 276 H THR 680 H THR 680 0.407 12.024 4.927 277 HA THR 680 HA THR 680 1.136 11.619 2.106 278 HB THR 680 HB THR 680 2.046 13.659 3.165 279 HG1 THR 680 1HG THR 680 4.359 13.004 2.723 280 1HG2 THR 680 1HG2 THR 680 3.502 13.629 4.993 281 2HG2 THR 680 2HG2 THR 680 3.795 11.896 4.851 282 3HG2 THR 680 3HG2 THR 680 2.245 12.482 5.452 283 H TRP 681 H TRP 681 3.210 10.375 1.783 284 HA TRP 681 HA TRP 681 2.920 7.783 2.907 285 1HB TRP 681 1HB TRP 681 3.747 7.816 0.710 286 2HB TRP 681 2HB TRP 681 4.941 9.057 1.080 287 HD1 TRP 681 HD TRP 681 7.322 8.248 1.675 288 HE1 TRP 681 1HE TRP 681 8.418 5.949 2.046 289 HE3 TRP 681 3HE TRP 681 3.118 5.338 1.696 290 HZ2 TRP 681 2HZ TRP 681 7.608 3.258 2.312 291 HZ3 TRP 681 3HZ TRP 681 3.366 2.911 2.014 292 HH2 TRP 681 HH TRP 681 5.565 1.894 2.315 293 H GLU 682 H GLU 682 4.844 10.555 3.715 294 HA GLU 682 HA GLU 682 6.892 9.318 5.178 295 1HB GLU 682 1HB GLU 682 5.625 12.022 5.653 296 2HB GLU 682 2HB GLU 682 7.184 11.495 6.271 297 1HG GLU 682 1HG GLU 682 7.780 11.125 3.785 298 2HG GLU 682 2HG GLU 682 6.399 12.174 3.471 299 H LYS 683 H LYS 683 4.004 10.957 6.488 300 HA LYS 683 HA LYS 683 4.258 10.128 9.112 301 1HB LYS 683 1HB LYS 683 1.981 11.002 7.409 302 2HB LYS 683 2HB LYS 683 1.592 10.238 8.944 303 1HG LYS 683 1HG LYS 683 2.579 11.929 10.184 304 2HG LYS 683 2HG LYS 683 3.557 12.488 8.825 305 1HD LYS 683 1HD LYS 683 1.895 14.114 9.014 306 2HD LYS 683 2HD LYS 683 1.309 13.071 7.717 307 1HE LYS 683 1HE LYS 683 0.499 12.600 10.564 308 2HE LYS 683 2HE LYS 683 -0.333 13.796 9.572 309 1HZ LYS 683 1HZ LYS 683 -1.559 12.129 8.815 310 2HZ LYS 683 2HZ LYS 683 -0.585 10.965 9.559 311 3HZ LYS 683 3HZ LYS 683 -0.190 11.537 8.017 312 H GLU 684 H GLU 684 2.155 8.624 6.648 313 HA GLU 684 HA GLU 684 1.375 6.419 8.147 314 1HB GLU 684 1HB GLU 684 1.824 6.442 5.160 315 2HB GLU 684 2HB GLU 684 0.750 5.379 6.058 316 1HG GLU 684 1HG GLU 684 0.450 8.360 5.769 317 2HG GLU 684 2HG GLU 684 -0.485 7.133 4.917 318 H LEU 685 H LEU 685 4.168 6.797 5.996 319 HA LEU 685 HA LEU 685 5.167 4.250 5.949 320 1HB LEU 685 1HB LEU 685 6.305 5.811 4.660 321 2HB LEU 685 2HB LEU 685 6.495 6.929 6.009 322 HG LEU 685 HG LEU 685 8.054 5.071 6.969 323 1HD1 LEU 685 1HD1 LEU 685 9.190 3.757 5.300 324 2HD1 LEU 685 2HD1 LEU 685 8.201 4.461 4.021 325 3HD1 LEU 685 3HD1 LEU 685 7.461 3.415 5.233 326 1HD2 LEU 685 1HD2 LEU 685 9.450 6.285 4.718 327 2HD2 LEU 685 2HD2 LEU 685 9.696 6.494 6.453 328 3HD2 LEU 685 3HD2 LEU 685 8.454 7.429 5.618 329 H HIS 686 H HIS 686 6.004 6.730 8.374 330 HA HIS 686 HA HIS 686 7.524 5.031 10.015 331 1HB HIS 686 1HB HIS 686 7.605 6.792 11.539 332 2HB HIS 686 2HB HIS 686 7.322 7.623 10.012 333 HD1 HIS 686 1HD HIS 686 5.617 9.386 10.212 334 HD2 HIS 686 2HD HIS 686 4.889 6.249 12.837 335 HE1 HIS 686 1HE HIS 686 3.550 10.042 11.487 336 H LYS 687 H LYS 687 4.089 5.640 9.822 337 HA LYS 687 HA LYS 687 3.357 4.493 12.304 338 1HB LYS 687 1HB LYS 687 1.822 4.907 9.739 339 2HB LYS 687 2HB LYS 687 1.088 4.265 11.203 340 1HG LYS 687 1HG LYS 687 1.645 6.318 12.393 341 2HG LYS 687 2HG LYS 687 2.404 6.962 10.936 342 1HD LYS 687 1HD LYS 687 0.346 7.105 9.802 343 2HD LYS 687 2HD LYS 687 -0.467 6.070 10.979 344 1HE LYS 687 1HE LYS 687 -0.439 7.767 12.627 345 2HE LYS 687 2HE LYS 687 0.700 8.746 11.704 346 1HZ LYS 687 1HZ LYS 687 -1.392 9.732 11.405 347 2HZ LYS 687 2HZ LYS 687 -2.161 8.251 11.128 348 3HZ LYS 687 3HZ LYS 687 -1.105 8.885 9.969 349 H ILE 688 H ILE 688 4.225 3.143 9.243 350 HA ILE 688 HA ILE 688 3.519 0.463 10.247 351 HB ILE 688 HB ILE 688 3.367 -0.267 7.885 352 1HG1 ILE 688 1HG1 ILE 688 3.286 2.646 7.131 353 2HG1 ILE 688 2HG1 ILE 688 4.792 1.735 7.097 354 1HG2 ILE 688 1HG2 ILE 688 1.542 1.700 9.129 355 2HG2 ILE 688 2HG2 ILE 688 1.261 1.313 7.432 356 3HG2 ILE 688 3HG2 ILE 688 1.251 0.030 8.642 357 1HD1 ILE 688 1HD1 ILE 688 2.907 0.183 5.720 358 2HD1 ILE 688 2HD1 ILE 688 2.697 1.843 5.161 359 3HD1 ILE 688 3HD1 ILE 688 4.279 1.070 5.056 360 H VAL 689 H VAL 689 6.034 2.384 10.050 361 HA VAL 689 HA VAL 689 7.941 0.812 8.603 362 HB VAL 689 HB VAL 689 8.075 3.324 9.136 363 1HG1 VAL 689 1HG1 VAL 689 9.559 2.498 11.587 364 2HG1 VAL 689 2HG1 VAL 689 8.833 4.054 11.179 365 3HG1 VAL 689 3HG1 VAL 689 7.809 2.703 11.668 366 1HG2 VAL 689 1HG2 VAL 689 10.509 1.611 9.627 367 2HG2 VAL 689 2HG2 VAL 689 9.851 2.012 8.040 368 3HG2 VAL 689 3HG2 VAL 689 10.499 3.286 9.074 369 H PHE 690 H PHE 690 6.723 0.864 11.851 370 HA PHE 690 HA PHE 690 8.897 -0.722 12.917 371 1HB PHE 690 1HB PHE 690 7.875 -0.479 15.016 372 2HB PHE 690 2HB PHE 690 7.512 1.036 14.196 373 HD1 PHE 690 1HD PHE 690 6.154 -2.032 15.583 374 HD2 PHE 690 2HD PHE 690 5.253 1.489 13.367 375 HE1 PHE 690 1HE PHE 690 3.755 -2.394 15.989 376 HE2 PHE 690 2HE PHE 690 2.852 1.132 13.770 377 HZ PHE 690 HZ PHE 690 2.100 -0.811 15.084 378 H ASP 691 H ASP 691 5.545 -1.186 11.930 379 HA ASP 691 HA ASP 691 4.944 -3.669 12.853 380 1HB ASP 691 1HB ASP 691 3.585 -2.142 11.294 381 2HB ASP 691 2HB ASP 691 4.423 -2.954 9.974 382 HA PRO 692 HA PRO 692 7.983 -6.444 11.278 383 1HB PRO 692 1HB PRO 692 6.610 -8.764 11.595 384 2HB PRO 692 2HB PRO 692 7.316 -7.873 12.949 385 1HG PRO 692 1HG PRO 692 4.487 -7.904 11.972 386 2HG PRO 692 2HG PRO 692 5.096 -7.962 13.636 387 1HD PRO 692 1HD PRO 692 4.148 -5.689 12.510 388 2HD PRO 692 2HD PRO 692 5.447 -5.686 13.720 389 H ARG 693 H ARG 693 4.650 -6.684 10.102 390 HA ARG 693 HA ARG 693 5.207 -8.277 7.840 391 1HB ARG 693 1HB ARG 693 2.961 -6.311 8.322 392 2HB ARG 693 2HB ARG 693 3.009 -7.483 7.012 393 1HG ARG 693 1HG ARG 693 2.746 -9.292 8.461 394 2HG ARG 693 2HG ARG 693 3.201 -8.340 9.875 395 1HD ARG 693 1HD ARG 693 0.799 -7.534 8.308 396 2HD ARG 693 2HD ARG 693 0.684 -8.930 9.379 397 HE ARG 693 HE ARG 693 1.840 -6.809 10.796 398 1HH1 ARG 693 2HH1 ARG 693 -1.204 -7.712 9.368 399 2HH1 ARG 693 1HH1 ARG 693 -2.151 -6.789 10.486 400 1HH2 ARG 693 2HH2 ARG 693 0.603 -5.589 12.275 401 2HH2 ARG 693 1HH2 ARG 693 -1.123 -5.581 12.139 402 H TYR 694 H TYR 694 5.763 -4.966 8.514 403 HA TYR 694 HA TYR 694 5.667 -3.915 5.893 404 1HB TYR 694 1HB TYR 694 5.640 -2.323 7.623 405 2HB TYR 694 2HB TYR 694 7.028 -3.044 8.430 406 HD1 TYR 694 1HD TYR 694 9.250 -3.037 6.965 407 HD2 TYR 694 2HD TYR 694 5.973 -0.375 6.434 408 HE1 TYR 694 1HE TYR 694 10.740 -1.436 5.839 409 HE2 TYR 694 2HE TYR 694 7.454 1.232 5.306 410 HH TYR 694 HH TYR 694 9.651 1.777 4.952 411 H LEU 695 H LEU 695 7.943 -5.909 7.513 412 HA LEU 695 HA LEU 695 10.082 -5.288 5.627 413 1HB LEU 695 1HB LEU 695 10.031 -7.226 7.935 414 2HB LEU 695 2HB LEU 695 11.446 -6.788 6.980 415 HG LEU 695 HG LEU 695 9.901 -4.836 8.679 416 1HD1 LEU 695 1HD1 LEU 695 12.046 -5.064 10.109 417 2HD1 LEU 695 2HD1 LEU 695 12.197 -6.637 9.327 418 3HD1 LEU 695 3HD1 LEU 695 10.763 -6.262 10.282 419 1HD2 LEU 695 1HD2 LEU 695 12.656 -4.669 7.465 420 2HD2 LEU 695 2HD2 LEU 695 11.828 -3.414 8.388 421 3HD2 LEU 695 3HD2 LEU 695 11.213 -3.897 6.806 422 H LEU 696 H LEU 696 7.489 -7.430 5.950 423 HA LEU 696 HA LEU 696 8.577 -9.747 4.738 424 1HB LEU 696 1HB LEU 696 5.768 -8.712 5.014 425 2HB LEU 696 2HB LEU 696 6.141 -10.244 4.226 426 HG LEU 696 HG LEU 696 6.919 -9.642 7.071 427 1HD1 LEU 696 1HD1 LEU 696 4.606 -11.390 6.479 428 2HD1 LEU 696 2HD1 LEU 696 4.354 -9.649 6.351 429 3HD1 LEU 696 3HD1 LEU 696 4.919 -10.349 7.868 430 1HD2 LEU 696 1HD2 LEU 696 6.611 -12.222 5.539 431 2HD2 LEU 696 2HD2 LEU 696 7.085 -12.069 7.231 432 3HD2 LEU 696 3HD2 LEU 696 8.139 -11.447 5.960 433 H LEU 697 H LEU 697 6.592 -7.101 3.413 434 HA LEU 697 HA LEU 697 6.933 -8.042 0.714 435 1HB LEU 697 1HB LEU 697 5.615 -5.671 1.978 436 2HB LEU 697 2HB LEU 697 5.864 -5.731 0.234 437 HG LEU 697 HG LEU 697 4.306 -7.779 1.809 438 1HD1 LEU 697 1HD1 LEU 697 3.079 -5.783 -0.041 439 2HD1 LEU 697 2HD1 LEU 697 3.414 -5.342 1.634 440 3HD1 LEU 697 3HD1 LEU 697 2.344 -6.698 1.275 441 1HD2 LEU 697 1HD2 LEU 697 4.458 -8.993 -0.043 442 2HD2 LEU 697 2HD2 LEU 697 5.341 -7.708 -0.868 443 3HD2 LEU 697 3HD2 LEU 697 3.577 -7.727 -0.898 444 H ASN 698 H ASN 698 8.103 -7.048 -0.937 445 HA ASN 698 HA ASN 698 10.646 -6.151 -0.367 446 1HB ASN 698 1HB ASN 698 8.901 -6.092 -2.771 447 2HB ASN 698 2HB ASN 698 10.315 -5.042 -2.791 448 1HD2 ASN 698 1HD2 ASN 698 11.744 -6.010 -4.050 449 2HD2 ASN 698 2HD2 ASN 698 12.256 -7.655 -3.914 450 HA PRO 699 HA PRO 699 10.476 -1.890 0.664 451 1HB PRO 699 1HB PRO 699 12.566 -0.847 -0.718 452 2HB PRO 699 2HB PRO 699 12.774 -1.892 0.692 453 1HG PRO 699 1HG PRO 699 12.939 -2.581 -2.216 454 2HG PRO 699 2HG PRO 699 13.992 -3.092 -0.884 455 1HD PRO 699 1HD PRO 699 12.046 -4.681 -1.895 456 2HD PRO 699 2HD PRO 699 12.526 -4.727 -0.186 457 H LYS 700 H LYS 700 10.788 -2.530 -2.806 458 HA LYS 700 HA LYS 700 9.874 0.046 -3.621 459 1HB LYS 700 1HB LYS 700 10.394 -2.562 -4.986 460 2HB LYS 700 2HB LYS 700 9.460 -1.335 -5.831 461 1HG LYS 700 1HG LYS 700 11.764 -1.154 -6.468 462 2HG LYS 700 2HG LYS 700 11.322 0.256 -5.502 463 1HD LYS 700 1HD LYS 700 12.397 -0.680 -3.559 464 2HD LYS 700 2HD LYS 700 12.717 -2.189 -4.416 465 1HE LYS 700 1HE LYS 700 14.074 -0.833 -6.052 466 2HE LYS 700 2HE LYS 700 13.910 0.526 -4.942 467 1HZ LYS 700 1HZ LYS 700 15.748 -1.588 -4.844 468 2HZ LYS 700 2HZ LYS 700 14.765 -1.687 -3.471 469 3HZ LYS 700 3HZ LYS 700 15.616 -0.263 -3.800 470 H GLU 701 H GLU 701 8.339 -3.119 -3.231 471 HA GLU 701 HA GLU 701 5.840 -2.501 -4.313 472 1HB GLU 701 1HB GLU 701 6.780 -4.485 -2.272 473 2HB GLU 701 2HB GLU 701 5.061 -4.305 -2.590 474 1HG GLU 701 1HG GLU 701 5.765 -4.604 -5.075 475 2HG GLU 701 2HG GLU 701 7.219 -5.317 -4.379 476 H ARG 702 H ARG 702 6.924 -2.341 -0.924 477 HA ARG 702 HA ARG 702 4.771 -1.600 0.455 478 1HB ARG 702 1HB ARG 702 7.518 -0.373 0.519 479 2HB ARG 702 2HB ARG 702 6.267 0.116 1.654 480 1HG ARG 702 1HG ARG 702 6.066 -2.290 2.324 481 2HG ARG 702 2HG ARG 702 7.494 -2.610 1.338 482 1HD ARG 702 1HD ARG 702 7.475 -0.522 3.498 483 2HD ARG 702 2HD ARG 702 7.851 -2.211 3.834 484 HE ARG 702 HE ARG 702 9.876 -1.958 2.753 485 1HH1 ARG 702 2HH1 ARG 702 7.894 0.865 2.280 486 2HH1 ARG 702 1HH1 ARG 702 9.182 1.820 1.625 487 1HH2 ARG 702 2HH2 ARG 702 11.580 -0.710 1.892 488 2HH2 ARG 702 1HH2 ARG 702 11.278 0.923 1.405 489 H LYS 703 H LYS 703 6.622 0.692 -1.545 490 HA LYS 703 HA LYS 703 4.815 2.851 -1.131 491 1HB LYS 703 1HB LYS 703 7.230 3.066 -1.803 492 2HB LYS 703 2HB LYS 703 6.772 2.509 -3.407 493 1HG LYS 703 1HG LYS 703 6.758 4.778 -3.702 494 2HG LYS 703 2HG LYS 703 5.067 4.483 -3.290 495 1HD LYS 703 1HD LYS 703 5.337 5.298 -1.112 496 2HD LYS 703 2HD LYS 703 7.096 5.162 -1.184 497 1HE LYS 703 1HE LYS 703 5.461 7.067 -2.854 498 2HE LYS 703 2HE LYS 703 6.249 7.499 -1.337 499 1HZ LYS 703 1HZ LYS 703 8.378 6.991 -2.307 500 2HZ LYS 703 2HZ LYS 703 7.571 8.104 -3.291 501 3HZ LYS 703 3HZ LYS 703 7.653 6.477 -3.747 502 H GLN 704 H GLN 704 5.308 0.561 -3.800 503 HA GLN 704 HA GLN 704 3.439 1.576 -5.584 504 1HB GLN 704 1HB GLN 704 4.659 -1.096 -5.116 505 2HB GLN 704 2HB GLN 704 3.235 -1.028 -6.146 506 1HG GLN 704 1HG GLN 704 5.731 0.599 -6.568 507 2HG GLN 704 2HG GLN 704 5.367 -0.919 -7.386 508 1HE2 GLN 704 1HE2 GLN 704 4.476 2.433 -7.032 509 2HE2 GLN 704 2HE2 GLN 704 3.556 2.548 -8.490 510 H VAL 705 H VAL 705 2.929 -1.164 -3.352 511 HA VAL 705 HA VAL 705 0.202 -1.456 -3.739 512 HB VAL 705 HB VAL 705 1.840 -1.971 -1.257 513 1HG1 VAL 705 1HG1 VAL 705 -0.591 -1.646 -0.777 514 2HG1 VAL 705 2HG1 VAL 705 -0.927 -3.007 -1.849 515 3HG1 VAL 705 3HG1 VAL 705 0.023 -3.251 -0.383 516 1HG2 VAL 705 1HG2 VAL 705 1.278 -4.389 -2.146 517 2HG2 VAL 705 2HG2 VAL 705 1.120 -3.539 -3.683 518 3HG2 VAL 705 3HG2 VAL 705 2.640 -3.472 -2.790 519 H PHE 706 H PHE 706 1.905 0.580 -1.383 520 HA PHE 706 HA PHE 706 -0.290 1.540 0.022 521 1HB PHE 706 1HB PHE 706 1.874 2.014 0.877 522 2HB PHE 706 2HB PHE 706 2.375 2.796 -0.618 523 HD1 PHE 706 1HD PHE 706 2.081 5.094 -0.933 524 HD2 PHE 706 2HD PHE 706 0.121 3.136 2.298 525 HE1 PHE 706 1HE PHE 706 1.422 7.279 -0.012 526 HE2 PHE 706 2HE PHE 706 -0.541 5.317 3.223 527 HZ PHE 706 HZ PHE 706 0.109 7.393 2.068 528 H ASP 707 H ASP 707 1.312 2.994 -2.807 529 HA ASP 707 HA ASP 707 -0.283 5.217 -3.135 530 1HB ASP 707 1HB ASP 707 1.798 4.453 -4.466 531 2HB ASP 707 2HB ASP 707 0.648 3.611 -5.501 532 H GLN 708 H GLN 708 -0.819 1.952 -4.428 533 HA GLN 708 HA GLN 708 -3.205 2.539 -5.798 534 1HB GLN 708 1HB GLN 708 -2.289 -0.085 -4.608 535 2HB GLN 708 2HB GLN 708 -3.581 0.103 -5.787 536 1HG GLN 708 1HG GLN 708 -1.652 1.300 -7.151 537 2HG GLN 708 2HG GLN 708 -0.645 0.264 -6.141 538 1HE2 GLN 708 1HE2 GLN 708 -0.323 -0.327 -8.595 539 2HE2 GLN 708 2HE2 GLN 708 -1.230 -1.703 -9.112 540 H TYR 709 H TYR 709 -2.579 1.471 -2.493 541 HA TYR 709 HA TYR 709 -5.253 0.992 -1.755 542 1HB TYR 709 1HB TYR 709 -3.603 0.102 -0.325 543 2HB TYR 709 2HB TYR 709 -2.768 1.645 -0.186 544 HD1 TYR 709 1HD TYR 709 -5.549 -0.390 1.025 545 HD2 TYR 709 2HD TYR 709 -3.608 3.385 1.308 546 HE1 TYR 709 1HE TYR 709 -6.781 0.080 3.101 547 HE2 TYR 709 2HE TYR 709 -4.833 3.866 3.386 548 HH TYR 709 HH TYR 709 -6.373 3.163 4.820 549 H VAL 710 H VAL 710 -3.194 3.861 -1.316 550 HA VAL 710 HA VAL 710 -5.027 5.484 -0.001 551 HB VAL 710 HB VAL 710 -2.859 6.282 -1.948 552 1HG1 VAL 710 1HG1 VAL 710 -3.018 8.507 -1.096 553 2HG1 VAL 710 2HG1 VAL 710 -4.632 8.016 -1.613 554 3HG1 VAL 710 3HG1 VAL 710 -4.218 8.022 0.102 555 1HG2 VAL 710 1HG2 VAL 710 -1.443 5.783 -0.313 556 2HG2 VAL 710 2HG2 VAL 710 -2.262 6.929 0.748 557 3HG2 VAL 710 3HG2 VAL 710 -2.783 5.245 0.699 558 H LYS 711 H LYS 711 -4.526 4.996 -3.471 559 HA LYS 711 HA LYS 711 -6.304 6.951 -4.400 560 1HB LYS 711 1HB LYS 711 -4.801 5.979 -5.961 561 2HB LYS 711 2HB LYS 711 -5.351 4.350 -5.589 562 1HG LYS 711 1HG LYS 711 -7.247 4.550 -6.862 563 2HG LYS 711 2HG LYS 711 -7.298 6.307 -6.706 564 1HD LYS 711 1HD LYS 711 -5.475 6.559 -8.241 565 2HD LYS 711 2HD LYS 711 -5.197 4.816 -8.273 566 1HE LYS 711 1HE LYS 711 -6.360 5.358 -10.267 567 2HE LYS 711 2HE LYS 711 -7.525 4.575 -9.200 568 1HZ LYS 711 1HZ LYS 711 -7.376 7.468 -9.005 569 2HZ LYS 711 2HZ LYS 711 -8.726 6.449 -8.991 570 3HZ LYS 711 3HZ LYS 711 -7.997 6.866 -10.459 571 H THR 712 H THR 712 -6.832 3.518 -3.667 572 HA THR 712 HA THR 712 -9.556 3.464 -4.412 573 HB THR 712 HB THR 712 -9.639 1.418 -2.881 574 HG1 THR 712 1HG THR 712 -7.902 1.944 -1.518 575 1HG2 THR 712 1HG2 THR 712 -9.070 0.241 -4.696 576 2HG2 THR 712 2HG2 THR 712 -7.402 0.811 -4.634 577 3HG2 THR 712 3HG2 THR 712 -8.636 1.780 -5.439 578 H ARG 713 H ARG 713 -7.916 4.186 -1.378 579 HA ARG 713 HA ARG 713 -10.230 4.231 0.251 580 1HB ARG 713 1HB ARG 713 -7.460 5.357 0.520 581 2HB ARG 713 2HB ARG 713 -8.699 5.743 1.707 582 1HG ARG 713 1HG ARG 713 -8.259 2.887 1.026 583 2HG ARG 713 2HG ARG 713 -7.055 3.708 2.022 584 1HD ARG 713 1HD ARG 713 -10.013 3.604 2.605 585 2HD ARG 713 2HD ARG 713 -8.798 2.568 3.352 586 HE ARG 713 HE ARG 713 -7.856 5.002 3.926 587 1HH1 ARG 713 2HH1 ARG 713 -11.047 3.640 4.213 588 2HH1 ARG 713 1HH1 ARG 713 -11.486 4.623 5.570 589 1HH2 ARG 713 2HH2 ARG 713 -8.423 6.302 5.714 590 2HH2 ARG 713 1HH2 ARG 713 -9.993 6.137 6.423 591 H ALA 714 H ALA 714 -8.767 6.550 -1.889 592 HA ALA 714 HA ALA 714 -10.296 8.782 -0.869 593 1HB ALA 714 1HB ALA 714 -9.325 9.706 -3.197 594 2HB ALA 714 2HB ALA 714 -8.392 9.668 -1.700 595 3HB ALA 714 3HB ALA 714 -8.191 8.389 -2.898 596 H GLU 715 H GLU 715 -10.280 6.787 -3.812 597 HA GLU 715 HA GLU 715 -12.376 8.051 -5.149 598 1HB GLU 715 1HB GLU 715 -12.302 6.304 -6.637 599 2HB GLU 715 2HB GLU 715 -10.733 6.119 -5.866 600 1HG GLU 715 1HG GLU 715 -11.601 4.375 -4.436 601 2HG GLU 715 2HG GLU 715 -13.215 4.596 -5.108 602 H GLU 716 H GLU 716 -12.415 5.519 -2.697 603 HA GLU 716 HA GLU 716 -15.314 5.311 -2.832 604 1HB GLU 716 1HB GLU 716 -13.627 3.369 -2.441 605 2HB GLU 716 2HB GLU 716 -13.601 3.946 -0.780 606 1HG GLU 716 1HG GLU 716 -15.838 3.414 -0.429 607 2HG GLU 716 2HG GLU 716 -16.185 3.324 -2.154 608 H GLU 717 H GLU 717 -14.053 7.815 -1.987 609 HA GLU 717 HA GLU 717 -13.974 8.300 0.707 610 1HB GLU 717 1HB GLU 717 -13.448 10.017 -0.924 611 2HB GLU 717 2HB GLU 717 -15.121 10.065 -1.462 612 1HG GLU 717 1HG GLU 717 -15.724 10.772 0.884 613 2HG GLU 717 2HG GLU 717 -13.997 10.985 1.165 614 H ARG 718 H ARG 718 -15.364 7.719 2.232 615 HA ARG 718 HA ARG 718 -17.912 6.826 2.020 616 1HB ARG 718 1HB ARG 718 -16.731 8.476 4.258 617 2HB ARG 718 2HB ARG 718 -18.258 7.614 4.378 618 1HG ARG 718 1HG ARG 718 -15.812 6.117 3.576 619 2HG ARG 718 2HG ARG 718 -16.046 6.552 5.270 620 1HD ARG 718 1HD ARG 718 -18.198 5.419 5.282 621 2HD ARG 718 2HD ARG 718 -18.020 5.031 3.571 622 HE ARG 718 HE ARG 718 -15.813 4.017 4.983 623 1HH1 ARG 718 2HH1 ARG 718 -19.229 3.478 4.586 624 2HH1 ARG 718 1HH1 ARG 718 -19.136 1.785 4.942 625 1HH2 ARG 718 2HH2 ARG 718 -15.677 1.789 5.453 626 2HH2 ARG 718 1HH2 ARG 718 -17.115 0.825 5.435 627 H ARG 719 H ARG 719 -17.015 10.220 2.626 628 HA ARG 719 HA ARG 719 -19.712 11.149 2.428 629 1HB ARG 719 1HB ARG 719 -17.819 12.253 3.719 630 2HB ARG 719 2HB ARG 719 -17.218 12.823 2.169 631 1HG ARG 719 1HG ARG 719 -19.454 13.910 1.817 632 2HG ARG 719 2HG ARG 719 -19.826 13.509 3.495 633 1HD ARG 719 1HD ARG 719 -17.344 15.022 2.748 634 2HD ARG 719 2HD ARG 719 -18.886 15.842 2.992 635 HE ARG 719 HE ARG 719 -18.402 14.212 5.209 636 1HH1 ARG 719 2HH1 ARG 719 -17.097 17.055 3.681 637 2HH1 ARG 719 1HH1 ARG 719 -16.494 17.731 5.158 638 1HH2 ARG 719 2HH2 ARG 719 -17.612 15.092 7.160 639 2HH2 ARG 719 1HH2 ARG 719 -16.787 16.613 7.136 640 H SER 720 H SER 720 -20.426 10.357 0.411 641 HA SER 720 HA SER 720 -19.731 12.094 -1.812 642 1HB SER 720 1HB SER 720 -19.217 10.341 -3.360 643 2HB SER 720 2HB SER 720 -18.207 10.078 -1.939 644 HG SER 720 HG SER 720 -19.045 8.149 -2.010 645 H GLY 721 H GLY 721 -21.293 12.056 -3.527 646 1HA GLY 721 1HA GLY 721 -23.956 11.778 -2.597 647 2HA GLY 721 2HA GLY 721 -23.473 12.131 -4.250 648 HA PRO 722 HA PRO 722 -24.675 8.129 -5.555 649 1HB PRO 722 1HB PRO 722 -22.755 7.481 -7.361 650 2HB PRO 722 2HB PRO 722 -23.990 8.707 -7.671 651 1HG PRO 722 1HG PRO 722 -21.149 9.061 -6.796 652 2HG PRO 722 2HG PRO 722 -22.070 9.974 -8.006 653 1HD PRO 722 1HD PRO 722 -21.651 10.894 -5.494 654 2HD PRO 722 2HD PRO 722 -23.124 11.264 -6.413 655 H SER 723 H SER 723 -24.582 6.352 -4.345 656 HA SER 723 HA SER 723 -22.054 5.509 -3.170 657 1HB SER 723 1HB SER 723 -24.936 4.901 -2.663 658 2HB SER 723 2HB SER 723 -23.726 3.723 -2.155 659 HG SER 723 HG SER 723 -23.153 5.008 -0.594 660 H SER 724 H SER 724 -21.081 3.534 -3.520 661 HA SER 724 HA SER 724 -22.253 1.583 -5.290 662 1HB SER 724 1HB SER 724 -21.380 3.171 -6.932 663 2HB SER 724 2HB SER 724 -19.795 3.124 -6.161 664 HG SER 724 HG SER 724 -20.136 0.689 -6.609 665 H GLY 725 H GLY 725 -21.445 -0.419 -4.929 666 1HA GLY 725 1HA GLY 725 -19.411 -1.763 -4.457 667 2HA GLY 725 2HA GLY 725 -19.053 -0.589 -3.199 Start of MODEL 9 1 1H GLY 644 H GLY 644 -14.466 -28.334 -7.530 2 1HA GLY 644 1HA GLY 644 -15.374 -26.447 -9.552 3 2HA GLY 644 2HA GLY 644 -14.636 -25.740 -8.122 4 H SER 645 H SER 645 -12.608 -25.173 -8.486 5 HA SER 645 HA SER 645 -11.020 -26.727 -10.404 6 1HB SER 645 1HB SER 645 -11.056 -24.418 -10.989 7 2HB SER 645 2HB SER 645 -10.734 -23.920 -9.328 8 HG SER 645 HG SER 645 -8.952 -24.131 -11.108 9 H SER 646 H SER 646 -10.058 -28.367 -9.353 10 HA SER 646 HA SER 646 -9.174 -28.245 -6.660 11 1HB SER 646 1HB SER 646 -8.706 -30.188 -8.914 12 2HB SER 646 2HB SER 646 -7.911 -30.385 -7.352 13 HG SER 646 HG SER 646 -10.176 -30.167 -6.506 14 H GLY 647 H GLY 647 -7.524 -27.068 -5.956 15 1HA GLY 647 1HA GLY 647 -5.390 -26.231 -5.766 16 2HA GLY 647 2HA GLY 647 -4.903 -27.364 -7.018 17 H SER 648 H SER 648 -4.828 -24.237 -6.310 18 HA SER 648 HA SER 648 -5.617 -23.208 -8.919 19 1HB SER 648 1HB SER 648 -5.280 -21.018 -7.993 20 2HB SER 648 2HB SER 648 -6.131 -21.974 -6.780 21 HG SER 648 HG SER 648 -4.548 -21.216 -5.581 22 H SER 649 H SER 649 -2.707 -23.543 -6.927 23 HA SER 649 HA SER 649 -1.058 -23.726 -9.279 24 1HB SER 649 1HB SER 649 0.361 -21.823 -8.834 25 2HB SER 649 2HB SER 649 -1.304 -21.254 -8.947 26 HG SER 649 HG SER 649 -1.146 -21.688 -6.486 27 H GLY 650 H GLY 650 0.916 -24.696 -8.880 28 1HA GLY 650 1HA GLY 650 1.348 -25.540 -6.080 29 2HA GLY 650 2HA GLY 650 1.663 -26.575 -7.464 30 H ALA 651 H ALA 651 2.863 -24.048 -5.449 31 HA ALA 651 HA ALA 651 5.143 -23.438 -7.101 32 1HB ALA 651 1HB ALA 651 5.010 -22.738 -4.203 33 2HB ALA 651 2HB ALA 651 5.680 -21.821 -5.552 34 3HB ALA 651 3HB ALA 651 3.932 -21.935 -5.345 35 H ARG 652 H ARG 652 7.380 -23.603 -6.122 36 HA ARG 652 HA ARG 652 7.699 -26.270 -4.915 37 1HB ARG 652 1HB ARG 652 9.272 -24.767 -6.962 38 2HB ARG 652 2HB ARG 652 10.115 -25.904 -5.918 39 1HG ARG 652 1HG ARG 652 7.680 -26.679 -7.491 40 2HG ARG 652 2HG ARG 652 9.311 -26.772 -8.158 41 1HD ARG 652 1HD ARG 652 9.094 -28.893 -7.330 42 2HD ARG 652 2HD ARG 652 9.789 -28.083 -5.927 43 HE ARG 652 HE ARG 652 7.848 -28.484 -4.799 44 1HH1 ARG 652 2HH1 ARG 652 7.231 -28.760 -8.214 45 2HH1 ARG 652 1HH1 ARG 652 5.604 -29.319 -8.007 46 1HH2 ARG 652 2HH2 ARG 652 5.707 -29.219 -4.514 47 2HH2 ARG 652 1HH2 ARG 652 4.738 -29.578 -5.902 48 H GLU 653 H GLU 653 7.181 -24.150 -3.223 49 HA GLU 653 HA GLU 653 9.769 -23.869 -1.857 50 1HB GLU 653 1HB GLU 653 7.761 -21.745 -2.502 51 2HB GLU 653 2HB GLU 653 8.716 -21.610 -1.032 52 1HG GLU 653 1HG GLU 653 9.947 -22.000 -3.742 53 2HG GLU 653 2HG GLU 653 9.603 -20.411 -3.062 54 H ARG 654 H ARG 654 9.439 -23.212 0.491 55 HA ARG 654 HA ARG 654 7.079 -24.608 1.572 56 1HB ARG 654 1HB ARG 654 9.286 -25.788 1.877 57 2HB ARG 654 2HB ARG 654 9.793 -24.438 2.884 58 1HG ARG 654 1HG ARG 654 9.064 -25.894 4.480 59 2HG ARG 654 2HG ARG 654 7.579 -24.989 4.181 60 1HD ARG 654 1HD ARG 654 7.093 -27.355 4.244 61 2HD ARG 654 2HD ARG 654 6.859 -26.743 2.607 62 HE ARG 654 HE ARG 654 9.479 -27.795 2.975 63 1HH1 ARG 654 2HH1 ARG 654 6.162 -28.693 2.420 64 2HH1 ARG 654 1HH1 ARG 654 6.561 -30.188 1.640 65 1HH2 ARG 654 2HH2 ARG 654 10.017 -29.760 1.950 66 2HH2 ARG 654 1HH2 ARG 654 8.754 -30.794 1.374 67 H ALA 655 H ALA 655 9.600 -22.275 2.542 68 HA ALA 655 HA ALA 655 7.639 -20.936 4.258 69 1HB ALA 655 1HB ALA 655 9.851 -19.624 4.862 70 2HB ALA 655 2HB ALA 655 9.493 -21.204 5.560 71 3HB ALA 655 3HB ALA 655 10.606 -21.073 4.198 72 H ILE 656 H ILE 656 7.238 -20.604 1.521 73 HA ILE 656 HA ILE 656 7.920 -17.758 1.188 74 HB ILE 656 HB ILE 656 7.736 -19.830 -1.001 75 1HG1 ILE 656 1HG1 ILE 656 9.829 -19.952 0.271 76 2HG1 ILE 656 2HG1 ILE 656 10.119 -19.334 -1.351 77 1HG2 ILE 656 1HG2 ILE 656 7.675 -16.886 -1.019 78 2HG2 ILE 656 2HG2 ILE 656 8.759 -17.637 -2.189 79 3HG2 ILE 656 3HG2 ILE 656 7.043 -18.044 -2.189 80 1HD1 ILE 656 1HD1 ILE 656 11.410 -18.123 0.313 81 2HD1 ILE 656 2HD1 ILE 656 10.233 -17.067 -0.469 82 3HD1 ILE 656 3HD1 ILE 656 9.925 -17.680 1.155 83 H VAL 657 H VAL 657 5.879 -17.308 2.203 84 HA VAL 657 HA VAL 657 3.390 -18.226 1.490 85 HB VAL 657 HB VAL 657 2.459 -16.346 2.507 86 1HG1 VAL 657 1HG1 VAL 657 5.013 -15.918 3.879 87 2HG1 VAL 657 2HG1 VAL 657 3.460 -16.466 4.513 88 3HG1 VAL 657 3HG1 VAL 657 4.544 -17.610 3.720 89 1HG2 VAL 657 1HG2 VAL 657 3.100 -14.513 1.265 90 2HG2 VAL 657 2HG2 VAL 657 3.959 -14.226 2.778 91 3HG2 VAL 657 3HG2 VAL 657 4.818 -14.894 1.390 92 HA PRO 658 HA PRO 658 2.574 -16.886 -2.615 93 1HB PRO 658 1HB PRO 658 -0.126 -16.619 -2.508 94 2HB PRO 658 2HB PRO 658 0.684 -18.190 -2.520 95 1HG PRO 658 1HG PRO 658 -0.423 -16.647 -0.206 96 2HG PRO 658 2HG PRO 658 -0.543 -18.382 -0.554 97 1HD PRO 658 1HD PRO 658 1.231 -17.373 1.226 98 2HD PRO 658 2HD PRO 658 1.571 -18.819 0.253 99 H LEU 659 H LEU 659 1.737 -15.102 -3.882 100 HA LEU 659 HA LEU 659 2.389 -12.592 -2.901 101 1HB LEU 659 1HB LEU 659 2.250 -13.166 -5.284 102 2HB LEU 659 2HB LEU 659 0.495 -13.253 -5.152 103 HG LEU 659 HG LEU 659 0.557 -10.806 -4.499 104 1HD1 LEU 659 1HD1 LEU 659 2.617 -10.083 -3.977 105 2HD1 LEU 659 2HD1 LEU 659 2.782 -9.865 -5.719 106 3HD1 LEU 659 3HD1 LEU 659 3.413 -11.320 -4.949 107 1HD2 LEU 659 1HD2 LEU 659 1.277 -11.868 -7.201 108 2HD2 LEU 659 2HD2 LEU 659 1.102 -10.132 -6.942 109 3HD2 LEU 659 3HD2 LEU 659 -0.257 -11.213 -6.628 110 H GLU 660 H GLU 660 -0.855 -13.987 -3.371 111 HA GLU 660 HA GLU 660 -2.348 -11.838 -2.439 112 1HB GLU 660 1HB GLU 660 -2.919 -14.799 -2.241 113 2HB GLU 660 2HB GLU 660 -4.100 -13.541 -1.906 114 1HG GLU 660 1HG GLU 660 -2.834 -14.269 -4.520 115 2HG GLU 660 2HG GLU 660 -4.544 -14.231 -4.092 116 H ALA 661 H ALA 661 -0.558 -14.264 -0.685 117 HA ALA 661 HA ALA 661 -1.740 -13.774 1.862 118 1HB ALA 661 1HB ALA 661 -0.738 -15.828 1.828 119 2HB ALA 661 2HB ALA 661 0.636 -15.267 0.875 120 3HB ALA 661 3HB ALA 661 0.537 -14.878 2.592 121 H ARG 662 H ARG 662 1.638 -13.169 0.900 122 HA ARG 662 HA ARG 662 2.319 -11.438 2.912 123 1HB ARG 662 1HB ARG 662 3.990 -10.480 1.281 124 2HB ARG 662 2HB ARG 662 4.022 -12.229 1.453 125 1HG ARG 662 1HG ARG 662 2.369 -12.093 -0.610 126 2HG ARG 662 2HG ARG 662 3.208 -10.560 -0.856 127 1HD ARG 662 1HD ARG 662 4.852 -12.969 -0.299 128 2HD ARG 662 2HD ARG 662 4.092 -12.843 -1.885 129 HE ARG 662 HE ARG 662 5.490 -11.074 -2.397 130 1HH1 ARG 662 2HH1 ARG 662 5.828 -11.961 0.952 131 2HH1 ARG 662 1HH1 ARG 662 7.257 -11.013 1.195 132 1HH2 ARG 662 2HH2 ARG 662 7.371 -9.821 -2.090 133 2HH2 ARG 662 1HH2 ARG 662 8.133 -9.795 -0.536 134 H MET 663 H MET 663 1.060 -10.519 -0.295 135 HA MET 663 HA MET 663 0.975 -7.773 0.085 136 1HB MET 663 1HB MET 663 -0.639 -9.655 -1.604 137 2HB MET 663 2HB MET 663 -1.033 -7.941 -1.566 138 1HG MET 663 1HG MET 663 1.378 -7.508 -2.183 139 2HG MET 663 2HG MET 663 1.508 -9.237 -2.497 140 1HE MET 663 1HE MET 663 1.768 -6.925 -5.379 141 2HE MET 663 2HE MET 663 0.335 -5.954 -5.038 142 3HE MET 663 3HE MET 663 1.533 -6.235 -3.773 143 H LYS 664 H LYS 664 -1.557 -10.180 0.748 144 HA LYS 664 HA LYS 664 -3.566 -8.489 1.614 145 1HB LYS 664 1HB LYS 664 -2.833 -11.319 2.190 146 2HB LYS 664 2HB LYS 664 -4.048 -10.562 3.212 147 1HG LYS 664 1HG LYS 664 -4.282 -10.451 0.233 148 2HG LYS 664 2HG LYS 664 -4.803 -11.878 1.131 149 1HD LYS 664 1HD LYS 664 -5.738 -9.117 1.857 150 2HD LYS 664 2HD LYS 664 -6.560 -10.086 0.632 151 1HE LYS 664 1HE LYS 664 -6.010 -11.118 3.401 152 2HE LYS 664 2HE LYS 664 -7.467 -10.207 3.009 153 1HZ LYS 664 1HZ LYS 664 -7.270 -12.859 2.815 154 2HZ LYS 664 2HZ LYS 664 -6.869 -12.417 1.233 155 3HZ LYS 664 3HZ LYS 664 -8.347 -11.930 1.898 156 H GLN 665 H GLN 665 -0.767 -9.707 3.369 157 HA GLN 665 HA GLN 665 -1.529 -8.834 5.937 158 1HB GLN 665 1HB GLN 665 1.186 -9.332 4.717 159 2HB GLN 665 2HB GLN 665 0.950 -8.937 6.414 160 1HG GLN 665 1HG GLN 665 -0.420 -10.938 6.692 161 2HG GLN 665 2HG GLN 665 -0.188 -11.333 4.990 162 1HE2 GLN 665 1HE2 GLN 665 1.210 -11.306 8.141 163 2HE2 GLN 665 2HE2 GLN 665 2.647 -12.181 7.746 164 H PHE 666 H PHE 666 0.723 -7.343 3.606 165 HA PHE 666 HA PHE 666 1.260 -5.014 4.988 166 1HB PHE 666 1HB PHE 666 2.282 -5.846 2.796 167 2HB PHE 666 2HB PHE 666 0.911 -5.084 1.994 168 HD1 PHE 666 1HD PHE 666 3.717 -4.364 4.320 169 HD2 PHE 666 2HD PHE 666 0.992 -2.838 1.429 170 HE1 PHE 666 1HE PHE 666 4.913 -2.213 4.333 171 HE2 PHE 666 2HE PHE 666 2.184 -0.685 1.436 172 HZ PHE 666 HZ PHE 666 4.147 -0.371 2.889 173 H LYS 667 H LYS 667 -1.369 -5.628 2.679 174 HA LYS 667 HA LYS 667 -2.507 -3.041 2.864 175 1HB LYS 667 1HB LYS 667 -2.870 -4.846 1.063 176 2HB LYS 667 2HB LYS 667 -4.052 -5.529 2.172 177 1HG LYS 667 1HG LYS 667 -5.377 -3.538 2.089 178 2HG LYS 667 2HG LYS 667 -4.137 -2.698 1.154 179 1HD LYS 667 1HD LYS 667 -4.478 -4.656 -0.533 180 2HD LYS 667 2HD LYS 667 -6.019 -4.861 0.303 181 1HE LYS 667 1HE LYS 667 -6.766 -2.731 -0.318 182 2HE LYS 667 2HE LYS 667 -5.142 -2.185 -0.732 183 1HZ LYS 667 1HZ LYS 667 -6.382 -4.401 -2.225 184 2HZ LYS 667 2HZ LYS 667 -5.171 -3.329 -2.719 185 3HZ LYS 667 3HZ LYS 667 -6.774 -2.800 -2.607 186 H ASP 668 H ASP 668 -2.956 -6.012 4.672 187 HA ASP 668 HA ASP 668 -5.324 -5.315 6.022 188 1HB ASP 668 1HB ASP 668 -4.504 -7.606 5.999 189 2HB ASP 668 2HB ASP 668 -3.059 -7.125 6.884 190 H MET 669 H MET 669 -1.913 -4.851 6.875 191 HA MET 669 HA MET 669 -2.449 -3.635 9.390 192 1HB MET 669 1HB MET 669 -0.050 -2.902 9.239 193 2HB MET 669 2HB MET 669 -0.305 -4.633 9.064 194 1HG MET 669 1HG MET 669 0.024 -4.525 6.711 195 2HG MET 669 2HG MET 669 0.013 -2.763 6.735 196 1HE MET 669 1HE MET 669 2.559 -1.334 7.178 197 2HE MET 669 2HE MET 669 3.523 -2.358 6.114 198 3HE MET 669 3HE MET 669 1.823 -2.061 5.750 199 H LEU 670 H LEU 670 -2.108 -2.446 6.118 200 HA LEU 670 HA LEU 670 -1.728 0.277 6.662 201 1HB LEU 670 1HB LEU 670 -2.919 -1.216 4.353 202 2HB LEU 670 2HB LEU 670 -2.893 0.546 4.379 203 HG LEU 670 HG LEU 670 -0.423 -1.169 4.591 204 1HD1 LEU 670 1HD1 LEU 670 -1.017 -1.663 2.445 205 2HD1 LEU 670 2HD1 LEU 670 -0.176 -0.138 2.175 206 3HD1 LEU 670 3HD1 LEU 670 -1.938 -0.174 2.236 207 1HD2 LEU 670 1HD2 LEU 670 -0.156 1.047 5.522 208 2HD2 LEU 670 2HD2 LEU 670 -0.843 1.772 4.068 209 3HD2 LEU 670 3HD2 LEU 670 0.709 0.936 3.989 210 H LEU 671 H LEU 671 -4.729 -1.540 6.061 211 HA LEU 671 HA LEU 671 -6.430 0.699 6.502 212 1HB LEU 671 1HB LEU 671 -6.940 -1.435 5.207 213 2HB LEU 671 2HB LEU 671 -7.221 -2.187 6.776 214 HG LEU 671 HG LEU 671 -8.973 -0.396 7.167 215 1HD1 LEU 671 1HD1 LEU 671 -9.313 -0.046 4.278 216 2HD1 LEU 671 2HD1 LEU 671 -7.909 0.775 4.959 217 3HD1 LEU 671 3HD1 LEU 671 -9.519 1.106 5.597 218 1HD2 LEU 671 1HD2 LEU 671 -10.184 -2.220 6.755 219 2HD2 LEU 671 2HD2 LEU 671 -9.061 -2.778 5.514 220 3HD2 LEU 671 3HD2 LEU 671 -10.336 -1.631 5.099 221 H GLU 672 H GLU 672 -5.790 -2.212 8.464 222 HA GLU 672 HA GLU 672 -7.260 -1.587 10.697 223 1HB GLU 672 1HB GLU 672 -4.782 -3.167 10.232 224 2HB GLU 672 2HB GLU 672 -5.200 -2.787 11.897 225 1HG GLU 672 1HG GLU 672 -7.486 -3.746 11.401 226 2HG GLU 672 2HG GLU 672 -6.795 -4.356 9.898 227 H ARG 673 H ARG 673 -3.755 -0.972 10.415 228 HA ARG 673 HA ARG 673 -3.363 0.524 12.660 229 1HB ARG 673 1HB ARG 673 -2.131 0.989 9.939 230 2HB ARG 673 2HB ARG 673 -1.512 1.646 11.448 231 1HG ARG 673 1HG ARG 673 -1.865 -1.304 11.087 232 2HG ARG 673 2HG ARG 673 -0.428 -0.473 10.486 233 1HD ARG 673 1HD ARG 673 0.263 -1.108 12.587 234 2HD ARG 673 2HD ARG 673 -0.345 0.518 12.899 235 HE ARG 673 HE ARG 673 -2.283 -1.591 13.267 236 1HH1 ARG 673 2HH1 ARG 673 0.184 0.371 14.747 237 2HH1 ARG 673 1HH1 ARG 673 -0.421 0.148 16.355 238 1HH2 ARG 673 2HH2 ARG 673 -3.088 -1.891 15.380 239 2HH2 ARG 673 1HH2 ARG 673 -2.281 -1.139 16.714 240 H GLY 674 H GLY 674 -5.192 1.400 9.885 241 1HA GLY 674 1HA GLY 674 -6.695 3.179 9.735 242 2HA GLY 674 2HA GLY 674 -5.956 3.893 11.160 243 H VAL 675 H VAL 675 -4.526 2.903 8.061 244 HA VAL 675 HA VAL 675 -3.046 5.362 7.900 245 HB VAL 675 HB VAL 675 -3.305 3.064 5.958 246 1HG1 VAL 675 1HG1 VAL 675 -2.244 4.250 4.410 247 2HG1 VAL 675 2HG1 VAL 675 -2.430 5.678 5.430 248 3HG1 VAL 675 3HG1 VAL 675 -0.976 4.688 5.554 249 1HG2 VAL 675 1HG2 VAL 675 -0.867 2.769 6.698 250 2HG2 VAL 675 2HG2 VAL 675 -1.289 3.821 8.049 251 3HG2 VAL 675 3HG2 VAL 675 -2.133 2.289 7.828 252 H SER 676 H SER 676 -4.211 7.145 7.469 253 HA SER 676 HA SER 676 -6.520 7.197 5.827 254 1HB SER 676 1HB SER 676 -4.751 9.529 6.597 255 2HB SER 676 2HB SER 676 -6.434 9.607 6.077 256 HG SER 676 HG SER 676 -7.062 9.040 8.012 257 H ALA 677 H ALA 677 -6.772 8.394 3.818 258 HA ALA 677 HA ALA 677 -4.597 7.800 1.983 259 1HB ALA 677 1HB ALA 677 -6.152 7.970 0.255 260 2HB ALA 677 2HB ALA 677 -7.082 7.284 1.587 261 3HB ALA 677 3HB ALA 677 -7.231 8.997 1.198 262 H PHE 678 H PHE 678 -6.341 10.586 3.247 263 HA PHE 678 HA PHE 678 -5.212 12.514 1.513 264 1HB PHE 678 1HB PHE 678 -6.245 12.937 4.324 265 2HB PHE 678 2HB PHE 678 -6.062 14.165 3.076 266 HD1 PHE 678 1HD PHE 678 -7.446 13.891 0.943 267 HD2 PHE 678 2HD PHE 678 -8.241 11.775 4.550 268 HE1 PHE 678 1HE PHE 678 -9.746 13.462 0.181 269 HE2 PHE 678 2HE PHE 678 -10.541 11.342 3.794 270 HZ PHE 678 HZ PHE 678 -11.297 12.185 1.607 271 H SER 679 H SER 679 -3.820 10.672 3.936 272 HA SER 679 HA SER 679 -1.914 12.640 4.851 273 1HB SER 679 1HB SER 679 -2.454 9.759 5.428 274 2HB SER 679 2HB SER 679 -0.858 10.406 5.809 275 HG SER 679 HG SER 679 -1.798 11.882 7.178 276 H THR 680 H THR 680 0.485 11.820 4.842 277 HA THR 680 HA THR 680 1.154 11.316 2.029 278 HB THR 680 HB THR 680 3.404 12.200 2.612 279 HG1 THR 680 1HG THR 680 2.161 12.735 5.124 280 1HG2 THR 680 1HG2 THR 680 1.499 14.283 3.553 281 2HG2 THR 680 2HG2 THR 680 1.248 13.595 1.949 282 3HG2 THR 680 3HG2 THR 680 2.775 14.384 2.341 283 H TRP 681 H TRP 681 3.503 10.285 1.902 284 HA TRP 681 HA TRP 681 3.209 7.628 2.936 285 1HB TRP 681 1HB TRP 681 4.115 7.798 0.747 286 2HB TRP 681 2HB TRP 681 5.321 8.976 1.257 287 HD1 TRP 681 HD TRP 681 7.621 8.061 2.033 288 HE1 TRP 681 1HE TRP 681 8.625 5.707 2.313 289 HE3 TRP 681 3HE TRP 681 3.367 5.288 1.443 290 HZ2 TRP 681 2HZ TRP 681 7.732 3.030 2.286 291 HZ3 TRP 681 3HZ TRP 681 3.528 2.837 1.584 292 HH2 TRP 681 HH TRP 681 5.666 1.733 1.996 293 H GLU 682 H GLU 682 4.934 10.477 3.870 294 HA GLU 682 HA GLU 682 6.948 9.256 5.442 295 1HB GLU 682 1HB GLU 682 5.723 12.008 5.448 296 2HB GLU 682 2HB GLU 682 6.981 11.547 6.587 297 1HG GLU 682 1HG GLU 682 8.366 10.899 4.561 298 2HG GLU 682 2HG GLU 682 7.161 11.756 3.602 299 H LYS 683 H LYS 683 3.908 10.850 6.413 300 HA LYS 683 HA LYS 683 4.003 10.258 9.117 301 1HB LYS 683 1HB LYS 683 1.591 10.485 7.308 302 2HB LYS 683 2HB LYS 683 1.518 10.478 9.065 303 1HG LYS 683 1HG LYS 683 2.924 12.510 9.093 304 2HG LYS 683 2HG LYS 683 2.868 12.535 7.329 305 1HD LYS 683 1HD LYS 683 0.508 12.881 7.335 306 2HD LYS 683 2HD LYS 683 0.409 12.581 9.071 307 1HE LYS 683 1HE LYS 683 2.025 14.835 7.909 308 2HE LYS 683 2HE LYS 683 0.316 15.007 8.308 309 1HZ LYS 683 1HZ LYS 683 1.050 15.560 10.323 310 2HZ LYS 683 2HZ LYS 683 2.603 14.949 10.046 311 3HZ LYS 683 3HZ LYS 683 1.364 13.913 10.551 312 H GLU 684 H GLU 684 2.190 8.443 6.632 313 HA GLU 684 HA GLU 684 1.441 6.312 8.267 314 1HB GLU 684 1HB GLU 684 2.000 6.222 5.297 315 2HB GLU 684 2HB GLU 684 1.026 5.075 6.206 316 1HG GLU 684 1HG GLU 684 0.402 7.990 5.795 317 2HG GLU 684 2HG GLU 684 -0.366 6.634 4.971 318 H LEU 685 H LEU 685 4.284 6.677 6.174 319 HA LEU 685 HA LEU 685 5.435 4.215 6.339 320 1HB LEU 685 1HB LEU 685 6.575 5.742 5.030 321 2HB LEU 685 2HB LEU 685 6.587 6.969 6.295 322 HG LEU 685 HG LEU 685 8.216 5.386 7.515 323 1HD1 LEU 685 1HD1 LEU 685 8.264 4.265 4.726 324 2HD1 LEU 685 2HD1 LEU 685 8.009 3.405 6.244 325 3HD1 LEU 685 3HD1 LEU 685 9.597 4.071 5.864 326 1HD2 LEU 685 1HD2 LEU 685 9.672 6.337 5.183 327 2HD2 LEU 685 2HD2 LEU 685 9.789 6.832 6.871 328 3HD2 LEU 685 3HD2 LEU 685 8.553 7.538 5.829 329 H HIS 686 H HIS 686 5.919 6.847 8.694 330 HA HIS 686 HA HIS 686 7.431 5.263 10.498 331 1HB HIS 686 1HB HIS 686 7.390 7.120 11.944 332 2HB HIS 686 2HB HIS 686 7.333 7.823 10.331 333 HD1 HIS 686 1HD HIS 686 4.663 6.625 12.779 334 HD2 HIS 686 2HD HIS 686 5.562 9.850 10.318 335 HE1 HIS 686 1HE HIS 686 2.759 8.243 13.067 336 H LYS 687 H LYS 687 4.026 5.795 10.031 337 HA LYS 687 HA LYS 687 3.148 4.874 12.569 338 1HB LYS 687 1HB LYS 687 1.811 5.195 9.894 339 2HB LYS 687 2HB LYS 687 0.960 4.480 11.257 340 1HG LYS 687 1HG LYS 687 1.709 6.635 12.507 341 2HG LYS 687 2HG LYS 687 1.913 7.281 10.877 342 1HD LYS 687 1HD LYS 687 -0.427 6.642 10.378 343 2HD LYS 687 2HD LYS 687 -0.611 6.117 12.054 344 1HE LYS 687 1HE LYS 687 0.304 8.895 11.394 345 2HE LYS 687 2HE LYS 687 -1.410 8.482 11.392 346 1HZ LYS 687 1HZ LYS 687 -0.169 9.346 13.543 347 2HZ LYS 687 2HZ LYS 687 0.146 7.695 13.732 348 3HZ LYS 687 3HZ LYS 687 -1.450 8.244 13.629 349 H ILE 688 H ILE 688 4.298 3.285 9.752 350 HA ILE 688 HA ILE 688 3.459 0.692 10.876 351 HB ILE 688 HB ILE 688 3.523 -0.226 8.584 352 1HG1 ILE 688 1HG1 ILE 688 3.619 2.620 7.598 353 2HG1 ILE 688 2HG1 ILE 688 5.076 1.648 7.765 354 1HG2 ILE 688 1HG2 ILE 688 1.603 1.702 9.604 355 2HG2 ILE 688 2HG2 ILE 688 1.553 1.555 7.848 356 3HG2 ILE 688 3HG2 ILE 688 1.338 0.126 8.859 357 1HD1 ILE 688 1HD1 ILE 688 3.961 -0.047 6.268 358 2HD1 ILE 688 2HD1 ILE 688 2.738 1.183 5.946 359 3HD1 ILE 688 3HD1 ILE 688 4.422 1.480 5.516 360 H VAL 689 H VAL 689 6.021 2.675 10.466 361 HA VAL 689 HA VAL 689 8.043 1.021 9.425 362 HB VAL 689 HB VAL 689 8.184 3.518 9.841 363 1HG1 VAL 689 1HG1 VAL 689 7.468 3.113 12.315 364 2HG1 VAL 689 2HG1 VAL 689 9.194 2.844 12.570 365 3HG1 VAL 689 3HG1 VAL 689 8.625 4.387 11.931 366 1HG2 VAL 689 1HG2 VAL 689 10.143 1.561 9.712 367 2HG2 VAL 689 2HG2 VAL 689 10.368 3.291 9.457 368 3HG2 VAL 689 3HG2 VAL 689 10.647 2.592 11.051 369 H PHE 690 H PHE 690 6.492 1.115 12.518 370 HA PHE 690 HA PHE 690 8.551 -0.543 13.754 371 1HB PHE 690 1HB PHE 690 7.001 -0.349 15.775 372 2HB PHE 690 2HB PHE 690 7.767 1.136 15.222 373 HD1 PHE 690 1HD PHE 690 4.614 -0.769 15.269 374 HD2 PHE 690 2HD PHE 690 6.486 2.959 14.422 375 HE1 PHE 690 1HE PHE 690 2.403 0.295 15.083 376 HE2 PHE 690 2HE PHE 690 4.278 4.029 14.236 377 HZ PHE 690 HZ PHE 690 2.233 2.697 14.567 378 H ASP 691 H ASP 691 6.371 -1.248 11.613 379 HA ASP 691 HA ASP 691 5.164 -3.536 12.991 380 1HB ASP 691 1HB ASP 691 3.834 -1.898 11.504 381 2HB ASP 691 2HB ASP 691 4.601 -2.722 10.149 382 HA PRO 692 HA PRO 692 8.085 -6.335 11.245 383 1HB PRO 692 1HB PRO 692 6.649 -8.624 11.500 384 2HB PRO 692 2HB PRO 692 7.408 -7.809 12.872 385 1HG PRO 692 1HG PRO 692 4.561 -7.718 11.954 386 2HG PRO 692 2HG PRO 692 5.201 -7.860 13.602 387 1HD PRO 692 1HD PRO 692 4.299 -5.517 12.585 388 2HD PRO 692 2HD PRO 692 5.621 -5.600 13.767 389 H ARG 693 H ARG 693 4.755 -6.278 10.091 390 HA ARG 693 HA ARG 693 5.169 -7.861 7.781 391 1HB ARG 693 1HB ARG 693 3.057 -5.899 8.621 392 2HB ARG 693 2HB ARG 693 3.049 -6.580 7.000 393 1HG ARG 693 1HG ARG 693 2.699 -8.759 7.798 394 2HG ARG 693 2HG ARG 693 3.129 -8.309 9.449 395 1HD ARG 693 1HD ARG 693 0.808 -6.991 8.109 396 2HD ARG 693 2HD ARG 693 0.624 -8.613 8.776 397 HE ARG 693 HE ARG 693 0.722 -6.182 10.233 398 1HH1 ARG 693 2HH1 ARG 693 1.697 -9.521 10.367 399 2HH1 ARG 693 1HH1 ARG 693 1.695 -9.588 12.099 400 1HH2 ARG 693 2HH2 ARG 693 0.715 -6.257 12.513 401 2HH2 ARG 693 1HH2 ARG 693 1.135 -7.731 13.318 402 H TYR 694 H TYR 694 5.925 -4.601 8.548 403 HA TYR 694 HA TYR 694 5.924 -3.520 5.926 404 1HB TYR 694 1HB TYR 694 5.880 -1.933 7.659 405 2HB TYR 694 2HB TYR 694 7.209 -2.701 8.519 406 HD1 TYR 694 1HD TYR 694 9.530 -2.407 7.730 407 HD2 TYR 694 2HD TYR 694 6.283 -0.345 5.911 408 HE1 TYR 694 1HE TYR 694 11.117 -0.851 6.677 409 HE2 TYR 694 2HE TYR 694 7.861 1.216 4.851 410 HH TYR 694 HH TYR 694 10.149 2.049 5.214 411 H LEU 695 H LEU 695 7.806 -5.895 7.254 412 HA LEU 695 HA LEU 695 10.026 -5.315 5.405 413 1HB LEU 695 1HB LEU 695 10.202 -6.928 7.942 414 2HB LEU 695 2HB LEU 695 11.532 -6.450 6.889 415 HG LEU 695 HG LEU 695 9.863 -4.407 8.322 416 1HD1 LEU 695 1HD1 LEU 695 12.369 -5.701 9.383 417 2HD1 LEU 695 2HD1 LEU 695 10.741 -6.026 9.976 418 3HD1 LEU 695 3HD1 LEU 695 11.434 -4.413 10.143 419 1HD2 LEU 695 1HD2 LEU 695 11.468 -3.877 6.399 420 2HD2 LEU 695 2HD2 LEU 695 12.757 -4.269 7.537 421 3HD2 LEU 695 3HD2 LEU 695 11.639 -2.950 7.889 422 H LEU 696 H LEU 696 7.395 -6.960 5.352 423 HA LEU 696 HA LEU 696 8.490 -9.601 4.746 424 1HB LEU 696 1HB LEU 696 5.697 -8.538 5.047 425 2HB LEU 696 2HB LEU 696 6.022 -10.137 4.382 426 HG LEU 696 HG LEU 696 6.760 -9.199 7.154 427 1HD1 LEU 696 1HD1 LEU 696 4.890 -10.190 7.958 428 2HD1 LEU 696 2HD1 LEU 696 4.841 -11.399 6.675 429 3HD1 LEU 696 3HD1 LEU 696 4.276 -9.758 6.362 430 1HD2 LEU 696 1HD2 LEU 696 7.120 -11.832 5.738 431 2HD2 LEU 696 2HD2 LEU 696 7.222 -11.645 7.489 432 3HD2 LEU 696 3HD2 LEU 696 8.366 -10.803 6.443 433 H LEU 697 H LEU 697 7.245 -6.765 3.196 434 HA LEU 697 HA LEU 697 7.337 -8.138 0.592 435 1HB LEU 697 1HB LEU 697 5.736 -5.822 1.601 436 2HB LEU 697 2HB LEU 697 6.051 -5.999 -0.124 437 HG LEU 697 HG LEU 697 4.681 -8.085 1.571 438 1HD1 LEU 697 1HD1 LEU 697 3.568 -5.726 1.138 439 2HD1 LEU 697 2HD1 LEU 697 2.641 -7.223 1.043 440 3HD1 LEU 697 3HD1 LEU 697 3.222 -6.451 -0.432 441 1HD2 LEU 697 1HD2 LEU 697 5.885 -8.276 -0.920 442 2HD2 LEU 697 2HD2 LEU 697 4.170 -8.075 -1.280 443 3HD2 LEU 697 3HD2 LEU 697 4.704 -9.390 -0.232 444 H ASN 698 H ASN 698 8.254 -6.982 -1.204 445 HA ASN 698 HA ASN 698 10.756 -5.892 -0.723 446 1HB ASN 698 1HB ASN 698 9.341 -5.028 -3.193 447 2HB ASN 698 2HB ASN 698 10.954 -5.707 -3.000 448 1HD2 ASN 698 1HD2 ASN 698 11.220 -7.692 -3.701 449 2HD2 ASN 698 2HD2 ASN 698 9.978 -8.875 -3.908 450 HA PRO 699 HA PRO 699 10.213 -1.656 0.284 451 1HB PRO 699 1HB PRO 699 12.278 -0.490 -1.037 452 2HB PRO 699 2HB PRO 699 12.502 -1.496 0.399 453 1HG PRO 699 1HG PRO 699 12.828 -2.216 -2.489 454 2HG PRO 699 2HG PRO 699 13.861 -2.631 -1.108 455 1HD PRO 699 1HD PRO 699 12.071 -4.368 -2.164 456 2HD PRO 699 2HD PRO 699 12.486 -4.355 -0.437 457 H LYS 700 H LYS 700 10.624 -2.383 -3.148 458 HA LYS 700 HA LYS 700 9.623 0.126 -4.071 459 1HB LYS 700 1HB LYS 700 9.964 -2.534 -5.464 460 2HB LYS 700 2HB LYS 700 9.473 -1.054 -6.278 461 1HG LYS 700 1HG LYS 700 12.024 -1.215 -4.711 462 2HG LYS 700 2HG LYS 700 11.930 -1.723 -6.399 463 1HD LYS 700 1HD LYS 700 11.377 0.445 -7.129 464 2HD LYS 700 2HD LYS 700 10.986 0.984 -5.494 465 1HE LYS 700 1HE LYS 700 13.750 0.034 -6.074 466 2HE LYS 700 2HE LYS 700 13.268 1.632 -6.640 467 1HZ LYS 700 1HZ LYS 700 13.751 0.692 -3.941 468 2HZ LYS 700 2HZ LYS 700 12.403 1.699 -4.119 469 3HZ LYS 700 3HZ LYS 700 13.933 2.240 -4.598 470 H GLU 701 H GLU 701 8.221 -3.120 -3.740 471 HA GLU 701 HA GLU 701 5.689 -2.504 -4.792 472 1HB GLU 701 1HB GLU 701 6.656 -4.628 -2.892 473 2HB GLU 701 2HB GLU 701 4.964 -4.509 -3.352 474 1HG GLU 701 1HG GLU 701 6.211 -6.152 -4.686 475 2HG GLU 701 2HG GLU 701 5.509 -4.864 -5.663 476 H ARG 702 H ARG 702 6.736 -2.736 -1.390 477 HA ARG 702 HA ARG 702 4.553 -2.169 0.024 478 1HB ARG 702 1HB ARG 702 7.323 -1.046 0.295 479 2HB ARG 702 2HB ARG 702 6.059 -0.569 1.421 480 1HG ARG 702 1HG ARG 702 5.744 -2.865 2.100 481 2HG ARG 702 2HG ARG 702 6.917 -3.407 0.899 482 1HD ARG 702 1HD ARG 702 7.758 -1.366 2.895 483 2HD ARG 702 2HD ARG 702 7.595 -3.040 3.422 484 HE ARG 702 HE ARG 702 9.102 -3.074 1.097 485 1HH1 ARG 702 2HH1 ARG 702 9.353 -1.775 4.317 486 2HH1 ARG 702 1HH1 ARG 702 11.084 -1.857 4.356 487 1HH2 ARG 702 2HH2 ARG 702 11.380 -3.187 1.136 488 2HH2 ARG 702 1HH2 ARG 702 12.235 -2.660 2.546 489 H LYS 703 H LYS 703 6.419 0.316 -1.702 490 HA LYS 703 HA LYS 703 4.639 2.437 -1.028 491 1HB LYS 703 1HB LYS 703 7.144 2.461 -1.862 492 2HB LYS 703 2HB LYS 703 6.389 2.560 -3.448 493 1HG LYS 703 1HG LYS 703 5.550 4.443 -1.291 494 2HG LYS 703 2HG LYS 703 7.049 4.727 -2.177 495 1HD LYS 703 1HD LYS 703 4.488 4.189 -3.637 496 2HD LYS 703 2HD LYS 703 4.857 5.806 -3.034 497 1HE LYS 703 1HE LYS 703 5.774 5.971 -5.113 498 2HE LYS 703 2HE LYS 703 7.165 5.328 -4.241 499 1HZ LYS 703 1HZ LYS 703 5.529 3.212 -5.155 500 2HZ LYS 703 2HZ LYS 703 7.147 3.539 -5.523 501 3HZ LYS 703 3HZ LYS 703 5.914 4.229 -6.451 502 H GLN 704 H GLN 704 5.029 0.345 -3.851 503 HA GLN 704 HA GLN 704 3.190 1.614 -5.538 504 1HB GLN 704 1HB GLN 704 4.397 -1.099 -5.379 505 2HB GLN 704 2HB GLN 704 2.966 -0.911 -6.384 506 1HG GLN 704 1HG GLN 704 5.560 0.591 -6.646 507 2HG GLN 704 2HG GLN 704 4.946 -0.662 -7.724 508 1HE2 GLN 704 1HE2 GLN 704 5.697 1.909 -8.551 509 2HE2 GLN 704 2HE2 GLN 704 4.290 2.724 -9.137 510 H VAL 705 H VAL 705 2.702 -1.269 -3.492 511 HA VAL 705 HA VAL 705 -0.036 -1.550 -3.929 512 HB VAL 705 HB VAL 705 1.689 -2.324 -1.586 513 1HG1 VAL 705 1HG1 VAL 705 -0.166 -3.627 -0.715 514 2HG1 VAL 705 2HG1 VAL 705 -0.595 -1.916 -0.777 515 3HG1 VAL 705 3HG1 VAL 705 -1.215 -3.027 -1.999 516 1HG2 VAL 705 1HG2 VAL 705 1.864 -3.431 -3.882 517 2HG2 VAL 705 2HG2 VAL 705 1.641 -4.489 -2.489 518 3HG2 VAL 705 3HG2 VAL 705 0.275 -4.115 -3.539 519 H PHE 706 H PHE 706 1.693 0.311 -1.459 520 HA PHE 706 HA PHE 706 -0.556 1.147 0.000 521 1HB PHE 706 1HB PHE 706 1.492 1.467 1.085 522 2HB PHE 706 2HB PHE 706 2.227 2.226 -0.324 523 HD1 PHE 706 1HD PHE 706 2.068 4.560 -0.689 524 HD2 PHE 706 2HD PHE 706 -0.127 2.728 2.464 525 HE1 PHE 706 1HE PHE 706 1.551 6.781 0.237 526 HE2 PHE 706 2HE PHE 706 -0.648 4.945 3.394 527 HZ PHE 706 HZ PHE 706 0.190 6.975 2.280 528 H ASP 707 H ASP 707 1.034 2.489 -2.840 529 HA ASP 707 HA ASP 707 -0.297 4.955 -2.933 530 1HB ASP 707 1HB ASP 707 1.699 4.336 -4.301 531 2HB ASP 707 2HB ASP 707 0.656 3.320 -5.292 532 H GLN 708 H GLN 708 -1.083 1.867 -4.519 533 HA GLN 708 HA GLN 708 -3.422 2.741 -5.797 534 1HB GLN 708 1HB GLN 708 -2.701 -0.029 -4.825 535 2HB GLN 708 2HB GLN 708 -3.999 0.341 -5.953 536 1HG GLN 708 1HG GLN 708 -1.046 0.696 -6.387 537 2HG GLN 708 2HG GLN 708 -2.124 -0.441 -7.194 538 1HE2 GLN 708 1HE2 GLN 708 -3.375 0.242 -8.876 539 2HE2 GLN 708 2HE2 GLN 708 -3.242 1.811 -9.587 540 H TYR 709 H TYR 709 -2.845 1.520 -2.556 541 HA TYR 709 HA TYR 709 -5.544 1.119 -1.828 542 1HB TYR 709 1HB TYR 709 -4.007 0.075 -0.414 543 2HB TYR 709 2HB TYR 709 -2.995 1.510 -0.292 544 HD1 TYR 709 1HD TYR 709 -5.473 -0.440 1.311 545 HD2 TYR 709 2HD TYR 709 -4.059 3.554 0.928 546 HE1 TYR 709 1HE TYR 709 -6.572 0.146 3.432 547 HE2 TYR 709 2HE TYR 709 -5.152 4.151 3.048 548 HH TYR 709 HH TYR 709 -5.876 2.657 5.231 549 H VAL 710 H VAL 710 -3.430 3.924 -1.737 550 HA VAL 710 HA VAL 710 -5.170 5.571 -0.199 551 HB VAL 710 HB VAL 710 -2.924 6.324 -2.074 552 1HG1 VAL 710 1HG1 VAL 710 -4.692 8.099 -1.601 553 2HG1 VAL 710 2HG1 VAL 710 -4.106 8.072 0.064 554 3HG1 VAL 710 3HG1 VAL 710 -3.016 8.520 -1.249 555 1HG2 VAL 710 1HG2 VAL 710 -2.878 5.090 0.437 556 2HG2 VAL 710 2HG2 VAL 710 -1.520 5.810 -0.427 557 3HG2 VAL 710 3HG2 VAL 710 -2.442 6.774 0.726 558 H LYS 711 H LYS 711 -4.447 5.423 -3.684 559 HA LYS 711 HA LYS 711 -6.216 7.401 -4.525 560 1HB LYS 711 1HB LYS 711 -4.421 6.136 -5.863 561 2HB LYS 711 2HB LYS 711 -5.657 4.913 -6.127 562 1HG LYS 711 1HG LYS 711 -7.052 7.025 -6.907 563 2HG LYS 711 2HG LYS 711 -5.434 7.658 -7.220 564 1HD LYS 711 1HD LYS 711 -6.067 4.912 -8.167 565 2HD LYS 711 2HD LYS 711 -6.774 6.273 -9.041 566 1HE LYS 711 1HE LYS 711 -4.593 7.204 -9.452 567 2HE LYS 711 2HE LYS 711 -3.834 5.978 -8.438 568 1HZ LYS 711 1HZ LYS 711 -3.667 5.544 -10.857 569 2HZ LYS 711 2HZ LYS 711 -5.348 5.367 -10.916 570 3HZ LYS 711 3HZ LYS 711 -4.417 4.294 -9.998 571 H THR 712 H THR 712 -6.769 4.007 -3.802 572 HA THR 712 HA THR 712 -9.445 3.959 -4.819 573 HB THR 712 HB THR 712 -9.590 1.810 -3.441 574 HG1 THR 712 1HG THR 712 -7.921 1.282 -2.240 575 1HG2 THR 712 1HG2 THR 712 -8.912 0.755 -5.295 576 2HG2 THR 712 2HG2 THR 712 -7.261 1.353 -5.126 577 3HG2 THR 712 3HG2 THR 712 -8.484 2.348 -5.916 578 H ARG 713 H ARG 713 -7.976 4.387 -1.635 579 HA ARG 713 HA ARG 713 -10.361 4.332 -0.136 580 1HB ARG 713 1HB ARG 713 -7.595 5.364 0.332 581 2HB ARG 713 2HB ARG 713 -8.871 5.821 1.452 582 1HG ARG 713 1HG ARG 713 -8.472 2.947 0.757 583 2HG ARG 713 2HG ARG 713 -7.409 3.731 1.927 584 1HD ARG 713 1HD ARG 713 -9.034 2.966 3.337 585 2HD ARG 713 2HD ARG 713 -9.706 4.547 2.939 586 HE ARG 713 HE ARG 713 -10.678 2.727 1.071 587 1HH1 ARG 713 2HH1 ARG 713 -10.887 3.322 4.494 588 2HH1 ARG 713 1HH1 ARG 713 -12.474 2.643 4.648 589 1HH2 ARG 713 2HH2 ARG 713 -12.767 1.830 1.260 590 2HH2 ARG 713 1HH2 ARG 713 -13.542 1.794 2.807 591 H ALA 714 H ALA 714 -8.688 6.902 -1.850 592 HA ALA 714 HA ALA 714 -10.439 8.962 -0.828 593 1HB ALA 714 1HB ALA 714 -8.122 9.505 -1.308 594 2HB ALA 714 2HB ALA 714 -8.348 9.059 -3.000 595 3HB ALA 714 3HB ALA 714 -9.199 10.453 -2.334 596 H GLU 715 H GLU 715 -9.794 7.578 -4.055 597 HA GLU 715 HA GLU 715 -11.779 8.882 -5.466 598 1HB GLU 715 1HB GLU 715 -11.473 7.303 -7.161 599 2HB GLU 715 2HB GLU 715 -9.938 7.288 -6.304 600 1HG GLU 715 1HG GLU 715 -10.339 5.050 -6.578 601 2HG GLU 715 2HG GLU 715 -11.001 5.332 -4.969 602 H GLU 716 H GLU 716 -12.041 6.221 -3.241 603 HA GLU 716 HA GLU 716 -14.824 5.733 -3.974 604 1HB GLU 716 1HB GLU 716 -13.015 3.939 -3.350 605 2HB GLU 716 2HB GLU 716 -13.443 4.363 -1.699 606 1HG GLU 716 1HG GLU 716 -14.668 2.406 -2.532 607 2HG GLU 716 2HG GLU 716 -15.732 3.735 -2.075 608 H GLU 717 H GLU 717 -13.870 8.242 -2.678 609 HA GLU 717 HA GLU 717 -14.678 8.280 0.029 610 1HB GLU 717 1HB GLU 717 -13.249 10.019 -0.916 611 2HB GLU 717 2HB GLU 717 -14.546 10.526 -1.990 612 1HG GLU 717 1HG GLU 717 -14.348 12.039 -0.116 613 2HG GLU 717 2HG GLU 717 -15.890 11.187 -0.063 614 H ARG 718 H ARG 718 -16.670 7.116 0.018 615 HA ARG 718 HA ARG 718 -18.947 8.282 -1.347 616 1HB ARG 718 1HB ARG 718 -18.629 5.877 0.446 617 2HB ARG 718 2HB ARG 718 -20.189 6.409 -0.166 618 1HG ARG 718 1HG ARG 718 -19.049 6.257 -2.488 619 2HG ARG 718 2HG ARG 718 -17.879 5.238 -1.648 620 1HD ARG 718 1HD ARG 718 -19.495 3.633 -1.105 621 2HD ARG 718 2HD ARG 718 -20.829 4.740 -1.433 622 HE ARG 718 HE ARG 718 -19.628 4.501 -3.841 623 1HH1 ARG 718 2HH1 ARG 718 -20.783 2.185 -1.512 624 2HH1 ARG 718 1HH1 ARG 718 -21.167 0.985 -2.701 625 1HH2 ARG 718 2HH2 ARG 718 -20.128 2.929 -5.416 626 2HH2 ARG 718 1HH2 ARG 718 -20.793 1.409 -4.922 627 H ARG 719 H ARG 719 -20.788 9.124 -0.319 628 HA ARG 719 HA ARG 719 -20.276 10.140 2.397 629 1HB ARG 719 1HB ARG 719 -21.616 11.309 0.002 630 2HB ARG 719 2HB ARG 719 -22.206 11.774 1.592 631 1HG ARG 719 1HG ARG 719 -19.728 12.285 2.108 632 2HG ARG 719 2HG ARG 719 -19.533 12.271 0.354 633 1HD ARG 719 1HD ARG 719 -19.978 14.495 0.736 634 2HD ARG 719 2HD ARG 719 -21.594 13.873 0.404 635 HE ARG 719 HE ARG 719 -21.250 13.678 3.132 636 1HH1 ARG 719 2HH1 ARG 719 -21.242 16.212 0.745 637 2HH1 ARG 719 1HH1 ARG 719 -21.816 17.425 1.841 638 1HH2 ARG 719 2HH2 ARG 719 -22.006 15.266 4.585 639 2HH2 ARG 719 1HH2 ARG 719 -22.250 16.886 4.025 640 H SER 720 H SER 720 -23.088 9.417 0.318 641 HA SER 720 HA SER 720 -24.592 8.611 2.687 642 1HB SER 720 1HB SER 720 -25.330 9.324 -0.131 643 2HB SER 720 2HB SER 720 -26.451 8.383 0.853 644 HG SER 720 HG SER 720 -25.667 11.034 1.087 645 H GLY 721 H GLY 721 -26.073 6.665 2.382 646 1HA GLY 721 1HA GLY 721 -24.478 4.367 1.992 647 2HA GLY 721 2HA GLY 721 -26.220 4.379 2.226 648 HA PRO 722 HA PRO 722 -24.816 3.588 -2.319 649 1HB PRO 722 1HB PRO 722 -24.437 0.899 -2.310 650 2HB PRO 722 2HB PRO 722 -23.130 2.055 -2.025 651 1HG PRO 722 1HG PRO 722 -24.730 0.479 -0.045 652 2HG PRO 722 2HG PRO 722 -22.985 0.790 -0.079 653 1HD PRO 722 1HD PRO 722 -24.680 2.167 1.523 654 2HD PRO 722 2HD PRO 722 -23.216 2.895 0.832 655 H SER 723 H SER 723 -26.473 3.295 -3.681 656 HA SER 723 HA SER 723 -28.790 1.749 -2.724 657 1HB SER 723 1HB SER 723 -30.186 3.176 -4.122 658 2HB SER 723 2HB SER 723 -29.204 4.175 -3.050 659 HG SER 723 HG SER 723 -28.437 3.554 -5.704 660 H SER 724 H SER 724 -26.309 1.834 -5.005 661 HA SER 724 HA SER 724 -27.724 -0.134 -6.682 662 1HB SER 724 1HB SER 724 -25.783 2.027 -7.511 663 2HB SER 724 2HB SER 724 -26.191 0.661 -8.550 664 HG SER 724 HG SER 724 -28.276 1.362 -8.657 665 H GLY 725 H GLY 725 -26.479 -1.865 -7.511 666 1HA GLY 725 1HA GLY 725 -23.724 -2.161 -6.660 667 2HA GLY 725 2HA GLY 725 -24.860 -3.238 -5.862 Start of MODEL 10 1 1H GLY 644 H GLY 644 -12.516 -17.808 5.129 2 1HA GLY 644 1HA GLY 644 -13.498 -18.480 2.787 3 2HA GLY 644 2HA GLY 644 -12.689 -16.991 2.322 4 H SER 645 H SER 645 -12.355 -20.315 2.773 5 HA SER 645 HA SER 645 -9.470 -20.258 3.109 6 1HB SER 645 1HB SER 645 -11.057 -21.997 4.146 7 2HB SER 645 2HB SER 645 -11.127 -22.710 2.534 8 HG SER 645 HG SER 645 -9.442 -23.734 3.379 9 H SER 646 H SER 646 -7.996 -20.526 1.536 10 HA SER 646 HA SER 646 -8.644 -21.685 -1.010 11 1HB SER 646 1HB SER 646 -9.529 -19.338 -1.207 12 2HB SER 646 2HB SER 646 -7.879 -18.757 -0.979 13 HG SER 646 HG SER 646 -8.342 -20.680 -2.954 14 H GLY 647 H GLY 647 -6.790 -22.020 -2.341 15 1HA GLY 647 1HA GLY 647 -4.274 -21.192 -2.269 16 2HA GLY 647 2HA GLY 647 -4.328 -22.117 -0.776 17 H SER 648 H SER 648 -5.714 -24.321 -1.348 18 HA SER 648 HA SER 648 -5.327 -26.436 -2.128 19 1HB SER 648 1HB SER 648 -5.777 -26.721 -4.452 20 2HB SER 648 2HB SER 648 -6.701 -25.307 -3.945 21 HG SER 648 HG SER 648 -4.152 -25.226 -5.194 22 H SER 649 H SER 649 -2.982 -25.226 -1.235 23 HA SER 649 HA SER 649 -0.741 -25.641 -1.210 24 1HB SER 649 1HB SER 649 -1.571 -27.939 -2.063 25 2HB SER 649 2HB SER 649 -1.026 -27.385 -3.646 26 HG SER 649 HG SER 649 0.425 -28.367 -1.622 27 H GLY 650 H GLY 650 -1.666 -23.360 -2.467 28 1HA GLY 650 1HA GLY 650 -0.075 -23.122 -4.925 29 2HA GLY 650 2HA GLY 650 -1.306 -21.990 -4.385 30 H ALA 651 H ALA 651 1.957 -23.171 -3.727 31 HA ALA 651 HA ALA 651 2.633 -20.491 -2.730 32 1HB ALA 651 1HB ALA 651 2.772 -23.009 -1.263 33 2HB ALA 651 2HB ALA 651 4.288 -22.106 -1.260 34 3HB ALA 651 3HB ALA 651 2.808 -21.347 -0.673 35 H ARG 652 H ARG 652 4.403 -19.655 -3.642 36 HA ARG 652 HA ARG 652 5.720 -20.922 -5.766 37 1HB ARG 652 1HB ARG 652 6.471 -18.512 -4.111 38 2HB ARG 652 2HB ARG 652 7.379 -19.027 -5.526 39 1HG ARG 652 1HG ARG 652 5.042 -18.903 -6.696 40 2HG ARG 652 2HG ARG 652 4.661 -17.830 -5.348 41 1HD ARG 652 1HD ARG 652 5.471 -16.599 -7.314 42 2HD ARG 652 2HD ARG 652 6.532 -16.400 -5.921 43 HE ARG 652 HE ARG 652 7.507 -18.529 -7.430 44 1HH1 ARG 652 2HH1 ARG 652 7.047 -15.092 -7.738 45 2HH1 ARG 652 1HH1 ARG 652 8.379 -14.879 -8.824 46 1HH2 ARG 652 2HH2 ARG 652 9.264 -18.261 -8.860 47 2HH2 ARG 652 1HH2 ARG 652 9.639 -16.683 -9.463 48 H GLU 653 H GLU 653 7.203 -19.931 -2.674 49 HA GLU 653 HA GLU 653 9.165 -22.084 -3.007 50 1HB GLU 653 1HB GLU 653 9.663 -19.527 -2.485 51 2HB GLU 653 2HB GLU 653 9.394 -20.060 -0.832 52 1HG GLU 653 1HG GLU 653 11.783 -20.064 -1.682 53 2HG GLU 653 2HG GLU 653 11.210 -21.525 -0.881 54 H ARG 654 H ARG 654 9.962 -22.949 -0.772 55 HA ARG 654 HA ARG 654 7.597 -24.026 0.555 56 1HB ARG 654 1HB ARG 654 9.083 -25.710 1.468 57 2HB ARG 654 2HB ARG 654 9.335 -25.578 -0.268 58 1HG ARG 654 1HG ARG 654 11.083 -23.922 1.439 59 2HG ARG 654 2HG ARG 654 11.330 -25.668 1.508 60 1HD ARG 654 1HD ARG 654 12.041 -25.791 -0.654 61 2HD ARG 654 2HD ARG 654 11.050 -24.428 -1.171 62 HE ARG 654 HE ARG 654 12.925 -23.302 0.446 63 1HH1 ARG 654 2HH1 ARG 654 13.045 -25.358 -2.362 64 2HH1 ARG 654 1HH1 ARG 654 14.559 -24.726 -2.920 65 1HH2 ARG 654 2HH2 ARG 654 14.918 -22.463 -0.279 66 2HH2 ARG 654 1HH2 ARG 654 15.624 -23.081 -1.734 67 H ALA 655 H ALA 655 9.957 -21.647 1.033 68 HA ALA 655 HA ALA 655 9.198 -21.438 3.869 69 1HB ALA 655 1HB ALA 655 11.754 -22.059 2.942 70 2HB ALA 655 2HB ALA 655 11.827 -20.357 3.399 71 3HB ALA 655 3HB ALA 655 11.301 -21.564 4.573 72 H ILE 656 H ILE 656 8.352 -20.117 1.281 73 HA ILE 656 HA ILE 656 8.574 -17.370 2.274 74 HB ILE 656 HB ILE 656 9.001 -18.112 -0.623 75 1HG1 ILE 656 1HG1 ILE 656 10.985 -16.885 1.296 76 2HG1 ILE 656 2HG1 ILE 656 10.910 -18.612 0.964 77 1HG2 ILE 656 1HG2 ILE 656 9.372 -15.399 0.598 78 2HG2 ILE 656 2HG2 ILE 656 9.190 -15.835 -1.100 79 3HG2 ILE 656 3HG2 ILE 656 7.804 -15.926 -0.013 80 1HD1 ILE 656 1HD1 ILE 656 11.011 -17.356 -1.533 81 2HD1 ILE 656 2HD1 ILE 656 12.195 -16.533 -0.517 82 3HD1 ILE 656 3HD1 ILE 656 12.282 -18.281 -0.732 83 H VAL 657 H VAL 657 6.629 -16.487 2.443 84 HA VAL 657 HA VAL 657 4.279 -17.778 1.553 85 HB VAL 657 HB VAL 657 3.109 -15.702 2.260 86 1HG1 VAL 657 1HG1 VAL 657 5.062 -17.095 4.042 87 2HG1 VAL 657 2HG1 VAL 657 4.069 -15.782 4.678 88 3HG1 VAL 657 3HG1 VAL 657 3.304 -17.217 3.994 89 1HG2 VAL 657 1HG2 VAL 657 4.660 -14.053 3.513 90 2HG2 VAL 657 2HG2 VAL 657 5.928 -14.718 2.484 91 3HG2 VAL 657 3HG2 VAL 657 4.525 -13.932 1.759 92 HA PRO 658 HA PRO 658 3.782 -16.294 -2.554 93 1HB PRO 658 1HB PRO 658 1.074 -16.285 -2.738 94 2HB PRO 658 2HB PRO 658 2.031 -17.771 -2.730 95 1HG PRO 658 1HG PRO 658 0.536 -16.469 -0.487 96 2HG PRO 658 2HG PRO 658 0.625 -18.185 -0.925 97 1HD PRO 658 1HD PRO 658 2.089 -17.117 1.087 98 2HD PRO 658 2HD PRO 658 2.672 -18.468 0.094 99 H LEU 659 H LEU 659 3.047 -14.500 -3.805 100 HA LEU 659 HA LEU 659 3.325 -12.013 -2.693 101 1HB LEU 659 1HB LEU 659 3.434 -12.342 -5.066 102 2HB LEU 659 2HB LEU 659 1.742 -12.833 -5.121 103 HG LEU 659 HG LEU 659 1.233 -10.451 -4.299 104 1HD1 LEU 659 1HD1 LEU 659 3.636 -9.474 -5.631 105 2HD1 LEU 659 2HD1 LEU 659 3.961 -10.291 -4.103 106 3HD1 LEU 659 3HD1 LEU 659 2.851 -8.921 -4.151 107 1HD2 LEU 659 1HD2 LEU 659 1.504 -9.569 -6.658 108 2HD2 LEU 659 2HD2 LEU 659 0.595 -11.070 -6.484 109 3HD2 LEU 659 3HD2 LEU 659 2.267 -11.111 -7.045 110 H GLU 660 H GLU 660 0.263 -13.692 -3.376 111 HA GLU 660 HA GLU 660 -1.487 -11.720 -2.501 112 1HB GLU 660 1HB GLU 660 -1.672 -14.715 -2.597 113 2HB GLU 660 2HB GLU 660 -2.984 -13.760 -1.921 114 1HG GLU 660 1HG GLU 660 -3.111 -12.514 -4.059 115 2HG GLU 660 2HG GLU 660 -1.896 -13.605 -4.721 116 H ALA 661 H ALA 661 0.181 -14.235 -0.663 117 HA ALA 661 HA ALA 661 -1.093 -13.823 1.803 118 1HB ALA 661 1HB ALA 661 0.093 -15.709 2.030 119 2HB ALA 661 2HB ALA 661 1.303 -15.205 0.850 120 3HB ALA 661 3HB ALA 661 1.409 -14.640 2.517 121 H ARG 662 H ARG 662 2.231 -12.815 0.986 122 HA ARG 662 HA ARG 662 2.632 -11.102 3.106 123 1HB ARG 662 1HB ARG 662 4.270 -9.923 1.571 124 2HB ARG 662 2HB ARG 662 4.496 -11.657 1.755 125 1HG ARG 662 1HG ARG 662 3.005 -11.769 -0.395 126 2HG ARG 662 2HG ARG 662 3.557 -10.106 -0.603 127 1HD ARG 662 1HD ARG 662 5.905 -11.225 -0.077 128 2HD ARG 662 2HD ARG 662 5.084 -12.651 -0.713 129 HE ARG 662 HE ARG 662 4.809 -10.337 -2.388 130 1HH1 ARG 662 2HH1 ARG 662 6.841 -13.046 -1.577 131 2HH1 ARG 662 1HH1 ARG 662 7.625 -13.087 -3.121 132 1HH2 ARG 662 2HH2 ARG 662 5.834 -10.382 -4.425 133 2HH2 ARG 662 1HH2 ARG 662 7.052 -11.571 -4.740 134 H MET 663 H MET 663 1.280 -10.333 -0.087 135 HA MET 663 HA MET 663 0.961 -7.583 0.287 136 1HB MET 663 1HB MET 663 -0.423 -9.605 -1.444 137 2HB MET 663 2HB MET 663 -0.984 -7.939 -1.406 138 1HG MET 663 1HG MET 663 1.399 -7.278 -1.959 139 2HG MET 663 2HG MET 663 1.679 -8.983 -2.306 140 1HE MET 663 1HE MET 663 1.977 -6.724 -5.013 141 2HE MET 663 2HE MET 663 0.435 -5.869 -5.031 142 3HE MET 663 3HE MET 663 1.401 -5.916 -3.555 143 H LYS 664 H LYS 664 -1.345 -10.230 0.861 144 HA LYS 664 HA LYS 664 -3.541 -8.795 1.680 145 1HB LYS 664 1HB LYS 664 -2.474 -11.496 2.315 146 2HB LYS 664 2HB LYS 664 -3.757 -10.878 3.347 147 1HG LYS 664 1HG LYS 664 -4.870 -10.350 0.996 148 2HG LYS 664 2HG LYS 664 -3.831 -11.689 0.500 149 1HD LYS 664 1HD LYS 664 -5.750 -11.803 2.824 150 2HD LYS 664 2HD LYS 664 -6.129 -12.373 1.197 151 1HE LYS 664 1HE LYS 664 -4.554 -14.100 1.313 152 2HE LYS 664 2HE LYS 664 -3.715 -13.363 2.677 153 1HZ LYS 664 1HZ LYS 664 -6.481 -14.426 2.828 154 2HZ LYS 664 2HZ LYS 664 -5.508 -13.917 4.115 155 3HZ LYS 664 3HZ LYS 664 -5.109 -15.319 3.256 156 H GLN 665 H GLN 665 -0.782 -9.831 3.660 157 HA GLN 665 HA GLN 665 -1.697 -8.861 6.117 158 1HB GLN 665 1HB GLN 665 1.093 -9.252 5.041 159 2HB GLN 665 2HB GLN 665 0.772 -8.763 6.700 160 1HG GLN 665 1HG GLN 665 -0.597 -10.833 6.961 161 2HG GLN 665 2HG GLN 665 -0.036 -11.333 5.366 162 1HE2 GLN 665 1HE2 GLN 665 0.370 -12.654 7.894 163 2HE2 GLN 665 2HE2 GLN 665 2.078 -12.745 8.140 164 H PHE 666 H PHE 666 0.761 -7.329 4.031 165 HA PHE 666 HA PHE 666 1.062 -4.938 5.256 166 1HB PHE 666 1HB PHE 666 2.112 -5.771 3.068 167 2HB PHE 666 2HB PHE 666 0.713 -5.063 2.266 168 HD1 PHE 666 1HD PHE 666 3.649 -4.306 4.373 169 HD2 PHE 666 2HD PHE 666 0.568 -2.742 1.887 170 HE1 PHE 666 1HE PHE 666 4.772 -2.116 4.365 171 HE2 PHE 666 2HE PHE 666 1.686 -0.551 1.874 172 HZ PHE 666 HZ PHE 666 3.791 -0.236 3.113 173 H LYS 667 H LYS 667 -1.395 -5.531 2.740 174 HA LYS 667 HA LYS 667 -2.694 -3.084 2.897 175 1HB LYS 667 1HB LYS 667 -3.018 -5.056 1.246 176 2HB LYS 667 2HB LYS 667 -4.197 -5.641 2.412 177 1HG LYS 667 1HG LYS 667 -5.463 -3.572 2.187 178 2HG LYS 667 2HG LYS 667 -4.271 -2.961 1.038 179 1HD LYS 667 1HD LYS 667 -4.846 -4.606 -0.570 180 2HD LYS 667 2HD LYS 667 -5.790 -5.525 0.606 181 1HE LYS 667 1HE LYS 667 -7.421 -4.424 -0.622 182 2HE LYS 667 2HE LYS 667 -7.219 -3.380 0.784 183 1HZ LYS 667 1HZ LYS 667 -5.529 -2.792 -1.508 184 2HZ LYS 667 2HZ LYS 667 -6.326 -1.739 -0.452 185 3HZ LYS 667 3HZ LYS 667 -7.180 -2.483 -1.708 186 H ASP 668 H ASP 668 -3.380 -6.083 4.675 187 HA ASP 668 HA ASP 668 -5.623 -5.315 6.075 188 1HB ASP 668 1HB ASP 668 -3.391 -7.209 6.604 189 2HB ASP 668 2HB ASP 668 -4.441 -6.803 7.959 190 H MET 669 H MET 669 -2.281 -4.431 6.634 191 HA MET 669 HA MET 669 -2.735 -3.255 9.202 192 1HB MET 669 1HB MET 669 -0.436 -2.408 7.506 193 2HB MET 669 2HB MET 669 -0.485 -2.778 9.225 194 1HG MET 669 1HG MET 669 -0.824 -5.197 8.542 195 2HG MET 669 2HG MET 669 -0.383 -4.686 6.914 196 1HE MET 669 1HE MET 669 1.423 -2.940 6.709 197 2HE MET 669 2HE MET 669 2.624 -2.580 7.950 198 3HE MET 669 3HE MET 669 2.962 -3.803 6.723 199 H LEU 670 H LEU 670 -1.754 -1.723 6.130 200 HA LEU 670 HA LEU 670 -2.051 0.879 6.638 201 1HB LEU 670 1HB LEU 670 -3.220 -0.484 4.217 202 2HB LEU 670 2HB LEU 670 -2.815 1.227 4.340 203 HG LEU 670 HG LEU 670 -0.832 -1.046 4.467 204 1HD1 LEU 670 1HD1 LEU 670 -2.134 -0.262 2.245 205 2HD1 LEU 670 2HD1 LEU 670 -0.472 -0.850 2.253 206 3HD1 LEU 670 3HD1 LEU 670 -0.793 0.884 2.243 207 1HD2 LEU 670 1HD2 LEU 670 0.453 0.499 5.440 208 2HD2 LEU 670 2HD2 LEU 670 -0.675 1.802 5.062 209 3HD2 LEU 670 3HD2 LEU 670 0.503 1.278 3.858 210 H LEU 671 H LEU 671 -4.744 -1.352 6.127 211 HA LEU 671 HA LEU 671 -6.747 0.686 6.375 212 1HB LEU 671 1HB LEU 671 -6.910 -1.558 5.144 213 2HB LEU 671 2HB LEU 671 -7.201 -2.259 6.735 214 HG LEU 671 HG LEU 671 -9.186 -0.772 6.959 215 1HD1 LEU 671 1HD1 LEU 671 -8.078 0.623 4.883 216 2HD1 LEU 671 2HD1 LEU 671 -9.739 0.781 5.453 217 3HD1 LEU 671 3HD1 LEU 671 -9.371 -0.275 4.089 218 1HD2 LEU 671 1HD2 LEU 671 -9.179 -3.162 6.042 219 2HD2 LEU 671 2HD2 LEU 671 -9.405 -2.419 4.459 220 3HD2 LEU 671 3HD2 LEU 671 -10.603 -2.168 5.730 221 H GLU 672 H GLU 672 -5.871 -2.101 8.428 222 HA GLU 672 HA GLU 672 -7.458 -1.412 10.615 223 1HB GLU 672 1HB GLU 672 -5.039 -3.115 10.234 224 2HB GLU 672 2HB GLU 672 -5.531 -2.728 11.876 225 1HG GLU 672 1HG GLU 672 -7.483 -3.845 9.902 226 2HG GLU 672 2HG GLU 672 -6.395 -4.893 10.811 227 H ARG 673 H ARG 673 -3.917 -1.015 10.405 228 HA ARG 673 HA ARG 673 -3.331 0.389 12.595 229 1HB ARG 673 1HB ARG 673 -2.400 1.230 9.844 230 2HB ARG 673 2HB ARG 673 -1.586 1.564 11.367 231 1HG ARG 673 1HG ARG 673 -2.011 -1.148 10.131 232 2HG ARG 673 2HG ARG 673 -0.494 -0.248 10.197 233 1HD ARG 673 1HD ARG 673 -0.301 -1.744 11.964 234 2HD ARG 673 2HD ARG 673 -0.851 -0.264 12.748 235 HE ARG 673 HE ARG 673 -3.119 -1.720 12.115 236 1HH1 ARG 673 2HH1 ARG 673 -0.287 -2.103 14.102 237 2HH1 ARG 673 1HH1 ARG 673 -1.081 -3.109 15.268 238 1HH2 ARG 673 2HH2 ARG 673 -4.176 -3.043 13.644 239 2HH2 ARG 673 1HH2 ARG 673 -3.293 -3.643 15.006 240 H GLY 674 H GLY 674 -5.132 1.644 9.854 241 1HA GLY 674 1HA GLY 674 -6.774 3.346 10.094 242 2HA GLY 674 2HA GLY 674 -5.912 3.940 11.506 243 H VAL 675 H VAL 675 -4.649 3.205 8.277 244 HA VAL 675 HA VAL 675 -3.241 5.698 8.185 245 HB VAL 675 HB VAL 675 -3.630 3.586 6.060 246 1HG1 VAL 675 1HG1 VAL 675 -2.777 5.037 4.612 247 2HG1 VAL 675 2HG1 VAL 675 -2.580 6.249 5.879 248 3HG1 VAL 675 3HG1 VAL 675 -1.300 5.073 5.575 249 1HG2 VAL 675 1HG2 VAL 675 -2.391 2.628 7.814 250 2HG2 VAL 675 2HG2 VAL 675 -1.187 3.146 6.634 251 3HG2 VAL 675 3HG2 VAL 675 -1.471 4.108 8.085 252 H SER 676 H SER 676 -3.721 7.532 7.096 253 HA SER 676 HA SER 676 -6.382 7.669 5.860 254 1HB SER 676 1HB SER 676 -4.627 9.727 7.184 255 2HB SER 676 2HB SER 676 -5.962 10.205 6.135 256 HG SER 676 HG SER 676 -6.477 8.328 8.137 257 H ALA 677 H ALA 677 -6.521 7.794 3.728 258 HA ALA 677 HA ALA 677 -4.474 7.691 1.928 259 1HB ALA 677 1HB ALA 677 -6.054 8.450 0.228 260 2HB ALA 677 2HB ALA 677 -6.808 7.300 1.334 261 3HB ALA 677 3HB ALA 677 -7.144 9.024 1.491 262 H PHE 678 H PHE 678 -6.261 10.672 2.749 263 HA PHE 678 HA PHE 678 -4.839 12.497 1.300 264 1HB PHE 678 1HB PHE 678 -5.800 12.945 4.133 265 2HB PHE 678 2HB PHE 678 -5.527 14.180 2.908 266 HD1 PHE 678 1HD PHE 678 -6.790 13.113 0.546 267 HD2 PHE 678 2HD PHE 678 -8.050 12.912 4.607 268 HE1 PHE 678 1HE PHE 678 -9.127 12.896 -0.193 269 HE2 PHE 678 2HE PHE 678 -10.389 12.695 3.874 270 HZ PHE 678 HZ PHE 678 -10.930 12.686 1.472 271 H SER 679 H SER 679 -3.847 10.846 4.204 272 HA SER 679 HA SER 679 -1.713 12.504 4.967 273 1HB SER 679 1HB SER 679 -2.831 10.389 6.119 274 2HB SER 679 2HB SER 679 -1.491 9.549 5.339 275 HG SER 679 HG SER 679 -0.310 11.528 6.385 276 H THR 680 H THR 680 0.601 12.013 4.791 277 HA THR 680 HA THR 680 1.305 11.486 2.040 278 HB THR 680 HB THR 680 2.372 13.329 3.312 279 HG1 THR 680 1HG THR 680 3.658 12.774 1.670 280 1HG2 THR 680 1HG2 THR 680 4.389 12.214 4.752 281 2HG2 THR 680 2HG2 THR 680 3.072 11.092 5.090 282 3HG2 THR 680 3HG2 THR 680 2.882 12.808 5.447 283 H TRP 681 H TRP 681 3.623 10.281 1.931 284 HA TRP 681 HA TRP 681 3.013 7.554 2.685 285 1HB TRP 681 1HB TRP 681 3.856 7.653 0.516 286 2HB TRP 681 2HB TRP 681 5.065 8.864 0.933 287 HD1 TRP 681 HD TRP 681 7.448 8.005 1.429 288 HE1 TRP 681 1HE TRP 681 8.528 5.682 1.680 289 HE3 TRP 681 3HE TRP 681 3.216 5.136 1.421 290 HZ2 TRP 681 2HZ TRP 681 7.697 2.990 1.850 291 HZ3 TRP 681 3HZ TRP 681 3.446 2.695 1.631 292 HH2 TRP 681 HH TRP 681 5.641 1.646 1.841 293 H GLU 682 H GLU 682 5.311 10.062 3.550 294 HA GLU 682 HA GLU 682 7.090 8.462 5.040 295 1HB GLU 682 1HB GLU 682 6.434 11.394 5.050 296 2HB GLU 682 2HB GLU 682 7.558 10.719 6.222 297 1HG GLU 682 1HG GLU 682 7.994 10.100 3.353 298 2HG GLU 682 2HG GLU 682 8.370 11.724 3.925 299 H LYS 683 H LYS 683 4.539 10.661 6.221 300 HA LYS 683 HA LYS 683 4.603 10.080 8.887 301 1HB LYS 683 1HB LYS 683 2.313 10.741 7.060 302 2HB LYS 683 2HB LYS 683 2.038 10.454 8.773 303 1HG LYS 683 1HG LYS 683 3.946 12.224 9.063 304 2HG LYS 683 2HG LYS 683 3.469 12.691 7.429 305 1HD LYS 683 1HD LYS 683 2.059 14.029 8.625 306 2HD LYS 683 2HD LYS 683 1.049 12.587 8.505 307 1HE LYS 683 1HE LYS 683 1.363 12.020 10.706 308 2HE LYS 683 2HE LYS 683 2.929 12.825 10.802 309 1HZ LYS 683 1HZ LYS 683 1.917 14.907 11.012 310 2HZ LYS 683 2HZ LYS 683 1.010 13.899 12.022 311 3HZ LYS 683 3HZ LYS 683 0.406 14.341 10.505 312 H GLU 684 H GLU 684 2.465 8.435 6.547 313 HA GLU 684 HA GLU 684 1.593 6.449 8.335 314 1HB GLU 684 1HB GLU 684 1.774 6.226 5.327 315 2HB GLU 684 2HB GLU 684 0.725 5.299 6.391 316 1HG GLU 684 1HG GLU 684 0.557 8.220 5.719 317 2HG GLU 684 2HG GLU 684 -0.614 6.951 5.365 318 H LEU 685 H LEU 685 4.149 6.400 5.867 319 HA LEU 685 HA LEU 685 4.988 3.822 5.938 320 1HB LEU 685 1HB LEU 685 6.146 5.208 4.486 321 2HB LEU 685 2HB LEU 685 6.497 6.394 5.741 322 HG LEU 685 HG LEU 685 8.008 4.533 6.732 323 1HD1 LEU 685 1HD1 LEU 685 8.978 3.301 4.594 324 2HD1 LEU 685 2HD1 LEU 685 7.307 3.463 4.057 325 3HD1 LEU 685 3HD1 LEU 685 7.671 2.615 5.560 326 1HD2 LEU 685 1HD2 LEU 685 9.538 5.987 6.055 327 2HD2 LEU 685 2HD2 LEU 685 8.417 6.628 4.854 328 3HD2 LEU 685 3HD2 LEU 685 9.486 5.289 4.436 329 H HIS 686 H HIS 686 5.941 6.348 8.253 330 HA HIS 686 HA HIS 686 7.519 4.606 9.856 331 1HB HIS 686 1HB HIS 686 7.941 6.443 11.175 332 2HB HIS 686 2HB HIS 686 7.449 7.245 9.687 333 HD1 HIS 686 1HD HIS 686 5.853 9.078 10.077 334 HD2 HIS 686 2HD HIS 686 5.480 6.087 12.936 335 HE1 HIS 686 1HE HIS 686 4.061 9.874 11.652 336 H LYS 687 H LYS 687 4.173 5.705 9.981 337 HA LYS 687 HA LYS 687 3.506 4.716 12.516 338 1HB LYS 687 1HB LYS 687 1.875 5.223 10.036 339 2HB LYS 687 2HB LYS 687 1.144 4.618 11.517 340 1HG LYS 687 1HG LYS 687 1.766 6.588 12.712 341 2HG LYS 687 2HG LYS 687 2.739 7.165 11.357 342 1HD LYS 687 1HD LYS 687 0.730 7.383 9.993 343 2HD LYS 687 2HD LYS 687 -0.253 6.760 11.321 344 1HE LYS 687 1HE LYS 687 -0.537 9.035 11.558 345 2HE LYS 687 2HE LYS 687 0.805 8.729 12.659 346 1HZ LYS 687 1HZ LYS 687 2.064 9.208 10.326 347 2HZ LYS 687 2HZ LYS 687 1.803 10.362 11.535 348 3HZ LYS 687 3HZ LYS 687 0.744 10.262 10.220 349 H ILE 688 H ILE 688 4.165 3.085 9.582 350 HA ILE 688 HA ILE 688 3.050 0.589 10.685 351 HB ILE 688 HB ILE 688 3.008 -0.279 8.381 352 1HG1 ILE 688 1HG1 ILE 688 3.511 2.523 7.408 353 2HG1 ILE 688 2HG1 ILE 688 4.842 1.396 7.649 354 1HG2 ILE 688 1HG2 ILE 688 0.895 0.394 8.589 355 2HG2 ILE 688 2HG2 ILE 688 1.373 1.873 9.420 356 3HG2 ILE 688 3HG2 ILE 688 1.353 1.820 7.658 357 1HD1 ILE 688 1HD1 ILE 688 2.532 1.135 5.750 358 2HD1 ILE 688 2HD1 ILE 688 4.245 1.305 5.365 359 3HD1 ILE 688 3HD1 ILE 688 3.651 -0.180 6.108 360 H VAL 689 H VAL 689 5.881 2.252 9.788 361 HA VAL 689 HA VAL 689 7.606 0.233 8.980 362 HB VAL 689 HB VAL 689 8.034 2.772 9.178 363 1HG1 VAL 689 1HG1 VAL 689 9.426 2.156 11.724 364 2HG1 VAL 689 2HG1 VAL 689 8.758 3.680 11.135 365 3HG1 VAL 689 3HG1 VAL 689 7.687 2.442 11.792 366 1HG2 VAL 689 1HG2 VAL 689 10.444 2.418 9.228 367 2HG2 VAL 689 2HG2 VAL 689 10.208 0.822 9.941 368 3HG2 VAL 689 3HG2 VAL 689 9.647 1.147 8.301 369 H PHE 690 H PHE 690 6.435 1.048 12.176 370 HA PHE 690 HA PHE 690 8.296 -0.412 13.696 371 1HB PHE 690 1HB PHE 690 6.852 -0.099 15.522 372 2HB PHE 690 2HB PHE 690 6.529 1.287 14.486 373 HD1 PHE 690 1HD PHE 690 5.034 -1.124 16.450 374 HD2 PHE 690 2HD PHE 690 4.617 0.764 12.658 375 HE1 PHE 690 1HE PHE 690 2.644 -1.707 16.426 376 HE2 PHE 690 2HE PHE 690 2.227 0.184 12.628 377 HZ PHE 690 HZ PHE 690 1.237 -1.052 14.514 378 H ASP 691 H ASP 691 5.323 -1.351 12.074 379 HA ASP 691 HA ASP 691 5.054 -3.912 13.220 380 1HB ASP 691 1HB ASP 691 3.354 -2.583 11.817 381 2HB ASP 691 2HB ASP 691 4.199 -3.231 10.414 382 HA PRO 692 HA PRO 692 8.358 -6.130 11.327 383 1HB PRO 692 1HB PRO 692 7.397 -8.646 11.668 384 2HB PRO 692 2HB PRO 692 8.060 -7.683 12.993 385 1HG PRO 692 1HG PRO 692 5.202 -8.145 12.233 386 2HG PRO 692 2HG PRO 692 5.944 -8.140 13.843 387 1HD PRO 692 1HD PRO 692 4.562 -6.025 12.870 388 2HD PRO 692 2HD PRO 692 5.937 -5.840 13.978 389 H ARG 693 H ARG 693 5.022 -6.892 10.403 390 HA ARG 693 HA ARG 693 5.526 -8.390 8.115 391 1HB ARG 693 1HB ARG 693 3.250 -6.527 8.791 392 2HB ARG 693 2HB ARG 693 3.267 -7.535 7.350 393 1HG ARG 693 1HG ARG 693 3.134 -9.512 8.588 394 2HG ARG 693 2HG ARG 693 3.613 -8.709 10.085 395 1HD ARG 693 1HD ARG 693 1.107 -7.885 8.678 396 2HD ARG 693 2HD ARG 693 1.116 -9.334 9.683 397 HE ARG 693 HE ARG 693 1.053 -6.651 10.588 398 1HH1 ARG 693 2HH1 ARG 693 2.397 -9.774 11.338 399 2HH1 ARG 693 1HH1 ARG 693 2.512 -9.460 13.038 400 1HH2 ARG 693 2HH2 ARG 693 1.199 -6.227 12.824 401 2HH2 ARG 693 1HH2 ARG 693 1.830 -7.443 13.882 402 H TYR 694 H TYR 694 6.024 -5.055 8.698 403 HA TYR 694 HA TYR 694 5.784 -4.067 6.059 404 1HB TYR 694 1HB TYR 694 5.769 -2.437 7.753 405 2HB TYR 694 2HB TYR 694 7.211 -3.091 8.521 406 HD1 TYR 694 1HD TYR 694 9.405 -2.466 7.776 407 HD2 TYR 694 2HD TYR 694 5.957 -1.086 5.700 408 HE1 TYR 694 1HE TYR 694 10.795 -0.843 6.559 409 HE2 TYR 694 2HE TYR 694 7.338 0.540 4.476 410 HH TYR 694 HH TYR 694 10.285 1.497 5.379 411 H LEU 695 H LEU 695 8.136 -6.015 7.582 412 HA LEU 695 HA LEU 695 10.200 -5.346 5.622 413 1HB LEU 695 1HB LEU 695 10.343 -7.308 7.903 414 2HB LEU 695 2HB LEU 695 11.688 -6.687 6.948 415 HG LEU 695 HG LEU 695 9.985 -4.928 8.699 416 1HD1 LEU 695 1HD1 LEU 695 12.347 -5.181 10.017 417 2HD1 LEU 695 2HD1 LEU 695 12.099 -6.823 9.424 418 3HD1 LEU 695 3HD1 LEU 695 10.868 -6.052 10.424 419 1HD2 LEU 695 1HD2 LEU 695 11.519 -4.087 6.771 420 2HD2 LEU 695 2HD2 LEU 695 12.824 -4.448 7.902 421 3HD2 LEU 695 3HD2 LEU 695 11.568 -3.289 8.343 422 H LEU 696 H LEU 696 7.592 -7.349 5.815 423 HA LEU 696 HA LEU 696 8.718 -9.735 4.685 424 1HB LEU 696 1HB LEU 696 5.874 -8.774 4.942 425 2HB LEU 696 2HB LEU 696 6.331 -10.357 4.315 426 HG LEU 696 HG LEU 696 7.001 -9.409 7.097 427 1HD1 LEU 696 1HD1 LEU 696 5.120 -10.585 7.915 428 2HD1 LEU 696 2HD1 LEU 696 4.768 -11.272 6.330 429 3HD1 LEU 696 3HD1 LEU 696 4.529 -9.548 6.617 430 1HD2 LEU 696 1HD2 LEU 696 8.084 -11.448 5.656 431 2HD2 LEU 696 2HD2 LEU 696 6.757 -12.265 6.481 432 3HD2 LEU 696 3HD2 LEU 696 7.979 -11.402 7.416 433 H LEU 697 H LEU 697 6.883 -6.970 3.443 434 HA LEU 697 HA LEU 697 7.110 -7.963 0.718 435 1HB LEU 697 1HB LEU 697 5.696 -5.668 2.016 436 2HB LEU 697 2HB LEU 697 5.932 -5.697 0.270 437 HG LEU 697 HG LEU 697 4.493 -7.844 1.826 438 1HD1 LEU 697 1HD1 LEU 697 2.486 -6.830 1.408 439 2HD1 LEU 697 2HD1 LEU 697 3.104 -5.918 0.031 440 3HD1 LEU 697 3HD1 LEU 697 3.505 -5.415 1.673 441 1HD2 LEU 697 1HD2 LEU 697 5.073 -8.911 -0.099 442 2HD2 LEU 697 2HD2 LEU 697 5.189 -7.416 -1.028 443 3HD2 LEU 697 3HD2 LEU 697 3.608 -8.105 -0.660 444 H ASN 698 H ASN 698 8.104 -6.774 -0.974 445 HA ASN 698 HA ASN 698 10.636 -5.736 -0.351 446 1HB ASN 698 1HB ASN 698 8.979 -5.976 -2.806 447 2HB ASN 698 2HB ASN 698 10.305 -4.818 -2.850 448 1HD2 ASN 698 1HD2 ASN 698 10.373 -6.891 -4.549 449 2HD2 ASN 698 2HD2 ASN 698 11.582 -8.032 -4.076 450 HA PRO 699 HA PRO 699 10.061 -1.453 0.400 451 1HB PRO 699 1HB PRO 699 12.115 -0.320 -0.968 452 2HB PRO 699 2HB PRO 699 12.347 -1.254 0.515 453 1HG PRO 699 1HG PRO 699 12.696 -2.104 -2.334 454 2HG PRO 699 2HG PRO 699 13.729 -2.439 -0.932 455 1HD PRO 699 1HD PRO 699 11.969 -4.250 -1.910 456 2HD PRO 699 2HD PRO 699 12.376 -4.149 -0.185 457 H LYS 700 H LYS 700 10.504 -2.330 -2.994 458 HA LYS 700 HA LYS 700 9.475 0.115 -4.040 459 1HB LYS 700 1HB LYS 700 10.129 -2.575 -5.178 460 2HB LYS 700 2HB LYS 700 9.186 -1.443 -6.137 461 1HG LYS 700 1HG LYS 700 11.056 0.232 -5.681 462 2HG LYS 700 2HG LYS 700 11.998 -1.159 -5.139 463 1HD LYS 700 1HD LYS 700 11.198 -2.163 -7.444 464 2HD LYS 700 2HD LYS 700 11.032 -0.458 -7.869 465 1HE LYS 700 1HE LYS 700 13.539 -1.676 -6.722 466 2HE LYS 700 2HE LYS 700 13.245 -1.472 -8.448 467 1HZ LYS 700 1HZ LYS 700 14.250 0.487 -8.117 468 2HZ LYS 700 2HZ LYS 700 13.957 0.496 -6.452 469 3HZ LYS 700 3HZ LYS 700 12.747 0.990 -7.526 470 H GLU 701 H GLU 701 8.102 -3.131 -3.586 471 HA GLU 701 HA GLU 701 5.571 -2.598 -4.662 472 1HB GLU 701 1HB GLU 701 6.273 -4.539 -2.453 473 2HB GLU 701 2HB GLU 701 4.819 -4.579 -3.441 474 1HG GLU 701 1HG GLU 701 6.423 -4.784 -5.433 475 2HG GLU 701 2HG GLU 701 7.639 -5.196 -4.225 476 H ARG 702 H ARG 702 6.559 -2.677 -1.234 477 HA ARG 702 HA ARG 702 4.350 -2.016 0.100 478 1HB ARG 702 1HB ARG 702 7.124 -0.899 0.402 479 2HB ARG 702 2HB ARG 702 5.833 -0.419 1.495 480 1HG ARG 702 1HG ARG 702 5.526 -2.698 2.211 481 2HG ARG 702 2HG ARG 702 6.707 -3.260 1.026 482 1HD ARG 702 1HD ARG 702 7.558 -1.182 2.971 483 2HD ARG 702 2HD ARG 702 7.351 -2.831 3.561 484 HE ARG 702 HE ARG 702 8.917 -2.754 1.185 485 1HH1 ARG 702 2HH1 ARG 702 9.034 -2.212 4.622 486 2HH1 ARG 702 1HH1 ARG 702 10.730 -2.540 4.748 487 1HH2 ARG 702 2HH2 ARG 702 11.151 -3.187 1.338 488 2HH2 ARG 702 1HH2 ARG 702 11.934 -3.094 2.879 489 H LYS 703 H LYS 703 6.272 0.320 -1.754 490 HA LYS 703 HA LYS 703 4.581 2.537 -1.172 491 1HB LYS 703 1HB LYS 703 7.034 2.550 -1.961 492 2HB LYS 703 2HB LYS 703 6.378 2.334 -3.578 493 1HG LYS 703 1HG LYS 703 5.344 4.552 -1.879 494 2HG LYS 703 2HG LYS 703 6.917 4.719 -2.662 495 1HD LYS 703 1HD LYS 703 4.374 3.994 -4.111 496 2HD LYS 703 2HD LYS 703 5.006 5.638 -3.982 497 1HE LYS 703 1HE LYS 703 7.176 4.629 -4.952 498 2HE LYS 703 2HE LYS 703 6.151 3.279 -5.435 499 1HZ LYS 703 1HZ LYS 703 6.473 5.762 -6.700 500 2HZ LYS 703 2HZ LYS 703 4.866 5.638 -6.187 501 3HZ LYS 703 3HZ LYS 703 5.527 4.447 -7.190 502 H GLN 704 H GLN 704 4.907 0.369 -3.964 503 HA GLN 704 HA GLN 704 3.037 1.578 -5.637 504 1HB GLN 704 1HB GLN 704 4.189 -1.152 -5.390 505 2HB GLN 704 2HB GLN 704 2.741 -0.974 -6.372 506 1HG GLN 704 1HG GLN 704 5.415 0.330 -6.763 507 2HG GLN 704 2HG GLN 704 4.580 -0.793 -7.834 508 1HE2 GLN 704 1HE2 GLN 704 2.409 0.004 -8.607 509 2HE2 GLN 704 2HE2 GLN 704 2.314 1.664 -9.077 510 H VAL 705 H VAL 705 2.564 -1.063 -3.298 511 HA VAL 705 HA VAL 705 -0.200 -1.366 -3.715 512 HB VAL 705 HB VAL 705 1.435 -1.957 -1.244 513 1HG1 VAL 705 1HG1 VAL 705 -0.395 -3.411 -0.568 514 2HG1 VAL 705 2HG1 VAL 705 -0.954 -1.745 -0.732 515 3HG1 VAL 705 3HG1 VAL 705 -1.323 -2.928 -1.988 516 1HG2 VAL 705 1HG2 VAL 705 1.025 -4.348 -2.213 517 2HG2 VAL 705 2HG2 VAL 705 0.792 -3.481 -3.731 518 3HG2 VAL 705 3HG2 VAL 705 2.320 -3.342 -2.861 519 H PHE 706 H PHE 706 1.638 0.690 -1.512 520 HA PHE 706 HA PHE 706 -0.555 1.635 -0.008 521 1HB PHE 706 1HB PHE 706 1.568 1.975 0.953 522 2HB PHE 706 2HB PHE 706 2.214 2.696 -0.518 523 HD1 PHE 706 1HD PHE 706 1.822 5.011 -1.047 524 HD2 PHE 706 2HD PHE 706 0.178 3.262 2.468 525 HE1 PHE 706 1HE PHE 706 1.318 7.254 -0.170 526 HE2 PHE 706 2HE PHE 706 -0.329 5.502 3.350 527 HZ PHE 706 HZ PHE 706 0.240 7.502 2.030 528 H ASP 707 H ASP 707 0.931 2.717 -3.006 529 HA ASP 707 HA ASP 707 -0.413 5.189 -3.216 530 1HB ASP 707 1HB ASP 707 1.589 4.561 -4.550 531 2HB ASP 707 2HB ASP 707 0.594 3.425 -5.458 532 H GLN 708 H GLN 708 -1.122 2.028 -4.700 533 HA GLN 708 HA GLN 708 -3.496 2.795 -5.975 534 1HB GLN 708 1HB GLN 708 -3.868 0.516 -6.383 535 2HB GLN 708 2HB GLN 708 -2.117 0.655 -6.285 536 1HG GLN 708 1HG GLN 708 -2.045 -0.335 -4.163 537 2HG GLN 708 2HG GLN 708 -3.777 -0.123 -3.915 538 1HE2 GLN 708 1HE2 GLN 708 -5.112 -1.232 -5.710 539 2HE2 GLN 708 2HE2 GLN 708 -4.648 -2.857 -6.073 540 H TYR 709 H TYR 709 -2.871 1.641 -2.712 541 HA TYR 709 HA TYR 709 -5.569 1.232 -1.968 542 1HB TYR 709 1HB TYR 709 -3.966 0.191 -0.594 543 2HB TYR 709 2HB TYR 709 -3.030 1.671 -0.413 544 HD1 TYR 709 1HD TYR 709 -5.827 -0.284 0.835 545 HD2 TYR 709 2HD TYR 709 -3.824 3.461 1.096 546 HE1 TYR 709 1HE TYR 709 -6.993 0.185 2.949 547 HE2 TYR 709 2HE TYR 709 -4.984 3.940 3.211 548 HH TYR 709 HH TYR 709 -6.376 3.178 4.762 549 H VAL 710 H VAL 710 -3.413 4.018 -1.777 550 HA VAL 710 HA VAL 710 -5.103 5.679 -0.247 551 HB VAL 710 HB VAL 710 -2.977 6.439 -2.256 552 1HG1 VAL 710 1HG1 VAL 710 -3.044 8.632 -1.455 553 2HG1 VAL 710 2HG1 VAL 710 -4.744 8.193 -1.629 554 3HG1 VAL 710 3HG1 VAL 710 -3.989 8.184 -0.035 555 1HG2 VAL 710 1HG2 VAL 710 -2.286 6.902 0.483 556 2HG2 VAL 710 2HG2 VAL 710 -2.786 5.223 0.277 557 3HG2 VAL 710 3HG2 VAL 710 -1.482 5.882 -0.710 558 H LYS 711 H LYS 711 -4.672 5.334 -3.754 559 HA LYS 711 HA LYS 711 -6.429 7.358 -4.554 560 1HB LYS 711 1HB LYS 711 -5.299 4.914 -5.822 561 2HB LYS 711 2HB LYS 711 -6.680 5.669 -6.606 562 1HG LYS 711 1HG LYS 711 -4.674 6.518 -7.590 563 2HG LYS 711 2HG LYS 711 -5.427 7.806 -6.647 564 1HD LYS 711 1HD LYS 711 -3.863 6.988 -4.747 565 2HD LYS 711 2HD LYS 711 -2.957 6.220 -6.053 566 1HE LYS 711 1HE LYS 711 -1.907 8.267 -5.889 567 2HE LYS 711 2HE LYS 711 -3.089 8.569 -7.162 568 1HZ LYS 711 1HZ LYS 711 -4.330 9.120 -4.735 569 2HZ LYS 711 2HZ LYS 711 -3.883 10.218 -5.942 570 3HZ LYS 711 3HZ LYS 711 -2.812 9.866 -4.680 571 H THR 712 H THR 712 -7.036 3.867 -4.182 572 HA THR 712 HA THR 712 -9.763 3.929 -4.812 573 HB THR 712 HB THR 712 -9.880 1.796 -3.426 574 HG1 THR 712 1HG THR 712 -7.959 1.011 -2.614 575 1HG2 THR 712 1HG2 THR 712 -8.974 2.245 -5.951 576 2HG2 THR 712 2HG2 THR 712 -9.209 0.646 -5.246 577 3HG2 THR 712 3HG2 THR 712 -7.608 1.384 -5.245 578 H ARG 713 H ARG 713 -8.074 4.422 -1.758 579 HA ARG 713 HA ARG 713 -10.348 4.407 -0.086 580 1HB ARG 713 1HB ARG 713 -7.547 5.419 0.156 581 2HB ARG 713 2HB ARG 713 -8.734 5.929 1.349 582 1HG ARG 713 1HG ARG 713 -8.336 3.033 0.699 583 2HG ARG 713 2HG ARG 713 -7.300 3.870 1.857 584 1HD ARG 713 1HD ARG 713 -8.917 3.062 3.263 585 2HD ARG 713 2HD ARG 713 -9.601 4.638 2.866 586 HE ARG 713 HE ARG 713 -10.518 2.716 1.022 587 1HH1 ARG 713 2HH1 ARG 713 -10.887 3.669 4.350 588 2HH1 ARG 713 1HH1 ARG 713 -12.505 3.064 4.480 589 1HH2 ARG 713 2HH2 ARG 713 -12.648 1.915 1.181 590 2HH2 ARG 713 1HH2 ARG 713 -13.506 2.066 2.677 591 H ALA 714 H ALA 714 -8.735 6.959 -1.905 592 HA ALA 714 HA ALA 714 -10.313 9.081 -0.815 593 1HB ALA 714 1HB ALA 714 -8.766 10.338 -1.788 594 2HB ALA 714 2HB ALA 714 -8.029 8.873 -2.439 595 3HB ALA 714 3HB ALA 714 -9.235 9.748 -3.382 596 H GLU 715 H GLU 715 -10.263 7.504 -4.017 597 HA GLU 715 HA GLU 715 -12.412 8.799 -5.161 598 1HB GLU 715 1HB GLU 715 -12.369 7.182 -6.801 599 2HB GLU 715 2HB GLU 715 -10.772 6.976 -6.095 600 1HG GLU 715 1HG GLU 715 -11.659 5.128 -4.720 601 2HG GLU 715 2HG GLU 715 -13.210 5.303 -5.538 602 H GLU 716 H GLU 716 -12.412 6.028 -2.979 603 HA GLU 716 HA GLU 716 -15.302 5.794 -3.106 604 1HB GLU 716 1HB GLU 716 -13.488 3.896 -2.802 605 2HB GLU 716 2HB GLU 716 -13.651 4.317 -1.103 606 1HG GLU 716 1HG GLU 716 -15.091 2.460 -1.664 607 2HG GLU 716 2HG GLU 716 -16.048 3.872 -1.219 608 H GLU 717 H GLU 717 -14.116 8.261 -2.089 609 HA GLU 717 HA GLU 717 -14.931 8.170 0.734 610 1HB GLU 717 1HB GLU 717 -12.646 9.130 -0.128 611 2HB GLU 717 2HB GLU 717 -13.611 10.547 -0.518 612 1HG GLU 717 1HG GLU 717 -13.809 9.377 2.210 613 2HG GLU 717 2HG GLU 717 -12.392 10.335 1.786 614 H ARG 718 H ARG 718 -17.108 8.416 0.725 615 HA ARG 718 HA ARG 718 -18.245 10.647 -0.812 616 1HB ARG 718 1HB ARG 718 -19.408 8.111 0.299 617 2HB ARG 718 2HB ARG 718 -20.448 9.472 -0.097 618 1HG ARG 718 1HG ARG 718 -18.514 8.464 -2.130 619 2HG ARG 718 2HG ARG 718 -20.020 7.590 -1.842 620 1HD ARG 718 1HD ARG 718 -21.307 9.581 -2.334 621 2HD ARG 718 2HD ARG 718 -19.828 10.523 -2.517 622 HE ARG 718 HE ARG 718 -19.777 8.345 -4.297 623 1HH1 ARG 718 2HH1 ARG 718 -21.409 11.378 -3.791 624 2HH1 ARG 718 1HH1 ARG 718 -21.727 11.637 -5.475 625 1HH2 ARG 718 2HH2 ARG 718 -20.189 8.675 -6.516 626 2HH2 ARG 718 1HH2 ARG 718 -21.034 10.098 -7.023 627 H ARG 719 H ARG 719 -18.138 9.221 2.423 628 HA ARG 719 HA ARG 719 -19.547 11.522 3.533 629 1HB ARG 719 1HB ARG 719 -20.113 9.207 4.271 630 2HB ARG 719 2HB ARG 719 -18.496 9.067 4.948 631 1HG ARG 719 1HG ARG 719 -19.695 9.646 6.805 632 2HG ARG 719 2HG ARG 719 -19.176 11.236 6.242 633 1HD ARG 719 1HD ARG 719 -21.532 11.266 6.841 634 2HD ARG 719 2HD ARG 719 -21.328 11.531 5.110 635 HE ARG 719 HE ARG 719 -21.731 8.789 5.597 636 1HH1 ARG 719 2HH1 ARG 719 -23.443 11.820 5.654 637 2HH1 ARG 719 1HH1 ARG 719 -24.984 11.105 5.316 638 1HH2 ARG 719 2HH2 ARG 719 -23.754 7.836 5.152 639 2HH2 ARG 719 1HH2 ARG 719 -25.160 8.838 5.031 640 H SER 720 H SER 720 -18.344 13.268 3.894 641 HA SER 720 HA SER 720 -15.559 12.942 4.749 642 1HB SER 720 1HB SER 720 -17.081 15.285 3.603 643 2HB SER 720 2HB SER 720 -15.461 15.445 4.281 644 HG SER 720 HG SER 720 -14.643 14.282 2.657 645 H GLY 721 H GLY 721 -14.762 14.574 6.371 646 1HA GLY 721 1HA GLY 721 -16.284 14.326 8.761 647 2HA GLY 721 2HA GLY 721 -14.792 15.235 8.574 648 HA PRO 722 HA PRO 722 -18.780 17.940 8.678 649 1HB PRO 722 1HB PRO 722 -19.100 18.321 11.347 650 2HB PRO 722 2HB PRO 722 -19.909 17.025 10.458 651 1HG PRO 722 1HG PRO 722 -17.433 16.911 12.138 652 2HG PRO 722 2HG PRO 722 -18.794 15.775 12.071 653 1HD PRO 722 1HD PRO 722 -16.450 15.317 10.796 654 2HD PRO 722 2HD PRO 722 -18.008 14.751 10.162 655 H SER 723 H SER 723 -15.970 17.929 10.841 656 HA SER 723 HA SER 723 -15.468 20.722 10.103 657 1HB SER 723 1HB SER 723 -16.613 20.495 12.392 658 2HB SER 723 2HB SER 723 -15.098 19.781 12.944 659 HG SER 723 HG SER 723 -15.040 21.984 13.333 660 H SER 724 H SER 724 -13.254 21.394 10.397 661 HA SER 724 HA SER 724 -11.411 19.271 9.765 662 1HB SER 724 1HB SER 724 -10.933 22.242 10.107 663 2HB SER 724 2HB SER 724 -9.777 21.087 9.443 664 HG SER 724 HG SER 724 -10.718 21.385 7.602 665 H GLY 725 H GLY 725 -9.595 18.649 10.937 666 1HA GLY 725 1HA GLY 725 -9.594 19.506 13.766 667 2HA GLY 725 2HA GLY 725 -9.295 17.847 13.269 Start of MODEL 11 1 1H GLY 644 H GLY 644 -14.617 -29.231 8.043 2 1HA GLY 644 1HA GLY 644 -14.236 -26.631 8.569 3 2HA GLY 644 2HA GLY 644 -13.884 -27.352 10.133 4 H SER 645 H SER 645 -11.724 -26.853 10.186 5 HA SER 645 HA SER 645 -10.046 -27.902 8.016 6 1HB SER 645 1HB SER 645 -9.877 -25.461 8.781 7 2HB SER 645 2HB SER 645 -9.118 -26.091 10.243 8 HG SER 645 HG SER 645 -7.363 -26.537 9.147 9 H SER 646 H SER 646 -7.898 -28.795 8.727 10 HA SER 646 HA SER 646 -8.109 -30.267 11.263 11 1HB SER 646 1HB SER 646 -7.385 -31.414 8.559 12 2HB SER 646 2HB SER 646 -7.124 -32.259 10.084 13 HG SER 646 HG SER 646 -9.534 -31.678 10.331 14 H GLY 647 H GLY 647 -5.947 -29.410 8.566 15 1HA GLY 647 1HA GLY 647 -4.007 -28.002 9.563 16 2HA GLY 647 2HA GLY 647 -3.673 -29.495 10.427 17 H SER 648 H SER 648 -1.725 -28.442 8.868 18 HA SER 648 HA SER 648 -1.421 -30.513 6.853 19 1HB SER 648 1HB SER 648 -0.764 -28.916 5.091 20 2HB SER 648 2HB SER 648 -2.441 -28.681 5.583 21 HG SER 648 HG SER 648 -1.306 -27.079 7.127 22 H SER 649 H SER 649 0.819 -30.522 5.946 23 HA SER 649 HA SER 649 2.721 -29.680 8.028 24 1HB SER 649 1HB SER 649 4.181 -31.500 7.141 25 2HB SER 649 2HB SER 649 2.643 -32.090 7.770 26 HG SER 649 HG SER 649 3.232 -31.599 5.036 27 H GLY 650 H GLY 650 2.261 -29.924 4.523 28 1HA GLY 650 1HA GLY 650 3.029 -28.514 2.858 29 2HA GLY 650 2HA GLY 650 3.769 -27.515 4.100 30 H ALA 651 H ALA 651 4.474 -29.244 1.461 31 HA ALA 651 HA ALA 651 7.091 -30.129 2.487 32 1HB ALA 651 1HB ALA 651 5.183 -31.378 0.719 33 2HB ALA 651 2HB ALA 651 6.763 -31.228 -0.050 34 3HB ALA 651 3HB ALA 651 6.611 -32.061 1.497 35 H ARG 652 H ARG 652 8.056 -28.074 2.298 36 HA ARG 652 HA ARG 652 8.711 -27.343 -0.471 37 1HB ARG 652 1HB ARG 652 8.635 -24.943 0.186 38 2HB ARG 652 2HB ARG 652 7.063 -25.729 0.221 39 1HG ARG 652 1HG ARG 652 7.232 -25.957 2.650 40 2HG ARG 652 2HG ARG 652 8.804 -25.155 2.609 41 1HD ARG 652 1HD ARG 652 7.365 -23.424 3.158 42 2HD ARG 652 2HD ARG 652 7.533 -23.249 1.412 43 HE ARG 652 HE ARG 652 5.307 -23.709 1.200 44 1HH1 ARG 652 2HH1 ARG 652 6.384 -24.794 4.328 45 2HH1 ARG 652 1HH1 ARG 652 4.793 -25.200 4.880 46 1HH2 ARG 652 2HH2 ARG 652 3.207 -24.240 1.915 47 2HH2 ARG 652 1HH2 ARG 652 2.987 -24.886 3.506 48 H GLU 653 H GLU 653 10.594 -25.655 -0.403 49 HA GLU 653 HA GLU 653 12.669 -26.846 1.277 50 1HB GLU 653 1HB GLU 653 12.673 -25.276 -1.272 51 2HB GLU 653 2HB GLU 653 14.125 -25.314 -0.281 52 1HG GLU 653 1HG GLU 653 12.790 -27.877 -0.999 53 2HG GLU 653 2HG GLU 653 13.771 -27.043 -2.203 54 H ARG 654 H ARG 654 11.752 -23.570 0.194 55 HA ARG 654 HA ARG 654 12.743 -22.552 2.776 56 1HB ARG 654 1HB ARG 654 14.059 -21.816 0.794 57 2HB ARG 654 2HB ARG 654 12.607 -21.062 0.151 58 1HG ARG 654 1HG ARG 654 12.519 -19.631 2.177 59 2HG ARG 654 2HG ARG 654 14.063 -20.323 2.678 60 1HD ARG 654 1HD ARG 654 13.829 -19.155 -0.052 61 2HD ARG 654 2HD ARG 654 13.951 -18.065 1.329 62 HE ARG 654 HE ARG 654 16.061 -19.519 0.160 63 1HH1 ARG 654 2HH1 ARG 654 14.810 -18.597 3.275 64 2HH1 ARG 654 1HH1 ARG 654 16.358 -18.632 4.052 65 1HH2 ARG 654 2HH2 ARG 654 18.104 -19.569 1.171 66 2HH2 ARG 654 1HH2 ARG 654 18.231 -19.185 2.854 67 H ALA 655 H ALA 655 11.401 -21.357 4.006 68 HA ALA 655 HA ALA 655 8.624 -21.362 3.467 69 1HB ALA 655 1HB ALA 655 9.175 -21.416 5.728 70 2HB ALA 655 2HB ALA 655 10.322 -20.083 5.579 71 3HB ALA 655 3HB ALA 655 8.588 -19.770 5.486 72 H ILE 656 H ILE 656 8.086 -20.268 1.618 73 HA ILE 656 HA ILE 656 8.456 -17.351 1.711 74 HB ILE 656 HB ILE 656 8.628 -19.039 -0.788 75 1HG1 ILE 656 1HG1 ILE 656 10.598 -18.964 0.939 76 2HG1 ILE 656 2HG1 ILE 656 10.931 -18.764 -0.778 77 1HG2 ILE 656 1HG2 ILE 656 9.335 -16.851 -1.810 78 2HG2 ILE 656 2HG2 ILE 656 7.639 -16.955 -1.340 79 3HG2 ILE 656 3HG2 ILE 656 8.781 -16.069 -0.329 80 1HD1 ILE 656 1HD1 ILE 656 10.452 -16.366 0.927 81 2HD1 ILE 656 2HD1 ILE 656 12.021 -17.171 0.946 82 3HD1 ILE 656 3HD1 ILE 656 11.382 -16.519 -0.563 83 H VAL 657 H VAL 657 6.398 -16.894 2.385 84 HA VAL 657 HA VAL 657 4.038 -18.115 1.565 85 HB VAL 657 HB VAL 657 2.860 -16.187 2.395 86 1HG1 VAL 657 1HG1 VAL 657 5.316 -16.954 3.942 87 2HG1 VAL 657 2HG1 VAL 657 4.100 -15.860 4.605 88 3HG1 VAL 657 3HG1 VAL 657 3.657 -17.509 4.159 89 1HG2 VAL 657 1HG2 VAL 657 4.025 -14.116 3.008 90 2HG2 VAL 657 2HG2 VAL 657 5.521 -14.764 2.335 91 3HG2 VAL 657 3HG2 VAL 657 4.145 -14.445 1.279 92 HA PRO 658 HA PRO 658 3.318 -16.763 -2.554 93 1HB PRO 658 1HB PRO 658 0.603 -16.742 -2.592 94 2HB PRO 658 2HB PRO 658 1.553 -18.233 -2.585 95 1HG PRO 658 1HG PRO 658 0.187 -16.846 -0.310 96 2HG PRO 658 2HG PRO 658 0.244 -18.576 -0.694 97 1HD PRO 658 1HD PRO 658 1.820 -17.451 1.199 98 2HD PRO 658 2HD PRO 658 2.343 -18.839 0.223 99 H LEU 659 H LEU 659 2.450 -15.023 -3.832 100 HA LEU 659 HA LEU 659 2.815 -12.493 -2.805 101 1HB LEU 659 1HB LEU 659 2.775 -13.049 -5.199 102 2HB LEU 659 2HB LEU 659 1.029 -13.269 -5.108 103 HG LEU 659 HG LEU 659 0.919 -10.824 -4.400 104 1HD1 LEU 659 1HD1 LEU 659 3.317 -10.619 -3.847 105 2HD1 LEU 659 2HD1 LEU 659 2.774 -9.411 -5.010 106 3HD1 LEU 659 3HD1 LEU 659 3.702 -10.807 -5.558 107 1HD2 LEU 659 1HD2 LEU 659 0.914 -12.062 -6.884 108 2HD2 LEU 659 2HD2 LEU 659 1.955 -10.654 -7.096 109 3HD2 LEU 659 3HD2 LEU 659 0.305 -10.450 -6.505 110 H GLU 660 H GLU 660 -0.267 -14.199 -3.304 111 HA GLU 660 HA GLU 660 -1.984 -12.196 -2.430 112 1HB GLU 660 1HB GLU 660 -3.600 -13.989 -1.985 113 2HB GLU 660 2HB GLU 660 -2.780 -14.227 -3.523 114 1HG GLU 660 1HG GLU 660 -1.305 -15.874 -2.479 115 2HG GLU 660 2HG GLU 660 -2.141 -15.643 -0.945 116 H ALA 661 H ALA 661 -0.114 -14.539 -0.596 117 HA ALA 661 HA ALA 661 -1.333 -14.064 1.917 118 1HB ALA 661 1HB ALA 661 1.150 -14.911 2.587 119 2HB ALA 661 2HB ALA 661 -0.172 -15.979 2.114 120 3HB ALA 661 3HB ALA 661 1.036 -15.492 0.925 121 H ARG 662 H ARG 662 2.005 -13.207 1.007 122 HA ARG 662 HA ARG 662 2.536 -11.416 2.998 123 1HB ARG 662 1HB ARG 662 4.066 -10.281 1.294 124 2HB ARG 662 2HB ARG 662 4.323 -11.997 1.582 125 1HG ARG 662 1HG ARG 662 2.665 -12.215 -0.468 126 2HG ARG 662 2HG ARG 662 3.296 -10.606 -0.825 127 1HD ARG 662 1HD ARG 662 5.223 -12.766 -0.135 128 2HD ARG 662 2HD ARG 662 4.473 -12.791 -1.731 129 HE ARG 662 HE ARG 662 5.588 -10.240 -1.026 130 1HH1 ARG 662 2HH1 ARG 662 6.256 -13.375 -2.385 131 2HH1 ARG 662 1HH1 ARG 662 7.626 -12.832 -3.297 132 1HH2 ARG 662 2HH2 ARG 662 7.390 -9.513 -2.222 133 2HH2 ARG 662 1HH2 ARG 662 8.271 -10.636 -3.202 134 H MET 663 H MET 663 1.306 -10.530 -0.235 135 HA MET 663 HA MET 663 0.947 -7.831 0.168 136 1HB MET 663 1HB MET 663 -0.513 -9.833 -1.523 137 2HB MET 663 2HB MET 663 -1.042 -8.156 -1.480 138 1HG MET 663 1HG MET 663 1.316 -7.523 -2.107 139 2HG MET 663 2HG MET 663 1.599 -9.236 -2.409 140 1HE MET 663 1HE MET 663 0.109 -5.947 -4.520 141 2HE MET 663 2HE MET 663 1.667 -6.448 -3.865 142 3HE MET 663 3HE MET 663 1.262 -6.800 -5.546 143 H LYS 664 H LYS 664 -1.405 -10.427 0.793 144 HA LYS 664 HA LYS 664 -3.535 -8.913 1.677 145 1HB LYS 664 1HB LYS 664 -2.565 -11.667 2.329 146 2HB LYS 664 2HB LYS 664 -3.912 -10.997 3.238 147 1HG LYS 664 1HG LYS 664 -3.939 -10.995 0.247 148 2HG LYS 664 2HG LYS 664 -4.400 -12.434 1.160 149 1HD LYS 664 1HD LYS 664 -5.620 -9.733 1.677 150 2HD LYS 664 2HD LYS 664 -6.276 -10.856 0.483 151 1HE LYS 664 1HE LYS 664 -5.758 -11.788 3.274 152 2HE LYS 664 2HE LYS 664 -7.203 -10.841 2.924 153 1HZ LYS 664 1HZ LYS 664 -8.159 -12.551 1.882 154 2HZ LYS 664 2HZ LYS 664 -7.012 -13.515 2.668 155 3HZ LYS 664 3HZ LYS 664 -6.741 -13.005 1.078 156 H GLN 665 H GLN 665 -0.699 -9.997 3.488 157 HA GLN 665 HA GLN 665 -1.517 -9.158 6.033 158 1HB GLN 665 1HB GLN 665 1.257 -9.379 4.857 159 2HB GLN 665 2HB GLN 665 0.924 -9.123 6.564 160 1HG GLN 665 1HG GLN 665 -0.340 -11.260 6.578 161 2HG GLN 665 2HG GLN 665 0.177 -11.524 4.914 162 1HE2 GLN 665 1HE2 GLN 665 0.804 -12.353 7.983 163 2HE2 GLN 665 2HE2 GLN 665 2.487 -12.727 7.867 164 H PHE 666 H PHE 666 0.629 -7.489 3.722 165 HA PHE 666 HA PHE 666 0.986 -5.134 5.111 166 1HB PHE 666 1HB PHE 666 2.041 -5.888 2.894 167 2HB PHE 666 2HB PHE 666 0.624 -5.187 2.120 168 HD1 PHE 666 1HD PHE 666 3.417 -4.365 4.426 169 HD2 PHE 666 2HD PHE 666 0.568 -2.924 1.611 170 HE1 PHE 666 1HE PHE 666 4.494 -2.153 4.473 171 HE2 PHE 666 2HE PHE 666 1.641 -0.711 1.653 172 HZ PHE 666 HZ PHE 666 3.607 -0.323 3.085 173 H LYS 667 H LYS 667 -1.490 -5.757 2.622 174 HA LYS 667 HA LYS 667 -2.843 -3.342 2.811 175 1HB LYS 667 1HB LYS 667 -3.140 -5.415 1.211 176 2HB LYS 667 2HB LYS 667 -4.383 -5.868 2.370 177 1HG LYS 667 1HG LYS 667 -5.424 -3.631 2.018 178 2HG LYS 667 2HG LYS 667 -4.254 -3.351 0.726 179 1HD LYS 667 1HD LYS 667 -5.215 -4.904 -0.665 180 2HD LYS 667 2HD LYS 667 -5.872 -5.853 0.670 181 1HE LYS 667 1HE LYS 667 -6.902 -3.093 0.236 182 2HE LYS 667 2HE LYS 667 -7.424 -4.368 -0.862 183 1HZ LYS 667 1HZ LYS 667 -8.510 -3.799 1.573 184 2HZ LYS 667 2HZ LYS 667 -7.567 -5.169 1.878 185 3HZ LYS 667 3HZ LYS 667 -8.761 -5.214 0.681 186 H ASP 668 H ASP 668 -3.104 -6.233 4.792 187 HA ASP 668 HA ASP 668 -5.452 -5.598 6.180 188 1HB ASP 668 1HB ASP 668 -4.307 -7.812 6.235 189 2HB ASP 668 2HB ASP 668 -3.056 -7.102 7.252 190 H MET 669 H MET 669 -2.059 -4.883 6.963 191 HA MET 669 HA MET 669 -2.695 -3.449 9.346 192 1HB MET 669 1HB MET 669 -0.300 -2.683 9.180 193 2HB MET 669 2HB MET 669 -0.527 -4.427 9.207 194 1HG MET 669 1HG MET 669 -0.168 -4.569 6.842 195 2HG MET 669 2HG MET 669 -0.123 -2.813 6.703 196 1HE MET 669 1HE MET 669 2.240 -1.419 6.955 197 2HE MET 669 2HE MET 669 3.492 -2.485 6.320 198 3HE MET 669 3HE MET 669 1.893 -2.462 5.575 199 H LEU 670 H LEU 670 -2.124 -2.565 5.990 200 HA LEU 670 HA LEU 670 -1.802 0.169 6.205 201 1HB LEU 670 1HB LEU 670 -3.110 -1.542 4.118 202 2HB LEU 670 2HB LEU 670 -3.026 0.210 3.943 203 HG LEU 670 HG LEU 670 -0.676 -1.673 4.145 204 1HD1 LEU 670 1HD1 LEU 670 -1.155 -1.981 1.979 205 2HD1 LEU 670 2HD1 LEU 670 -0.479 -0.366 1.769 206 3HD1 LEU 670 3HD1 LEU 670 -2.224 -0.579 1.911 207 1HD2 LEU 670 1HD2 LEU 670 -0.919 1.297 4.171 208 2HD2 LEU 670 2HD2 LEU 670 0.457 0.558 3.351 209 3HD2 LEU 670 3HD2 LEU 670 0.179 0.246 5.065 210 H LEU 671 H LEU 671 -4.860 -1.626 5.867 211 HA LEU 671 HA LEU 671 -6.454 0.732 6.228 212 1HB LEU 671 1HB LEU 671 -7.147 -1.251 4.886 213 2HB LEU 671 2HB LEU 671 -7.301 -2.155 6.391 214 HG LEU 671 HG LEU 671 -9.020 -0.432 7.094 215 1HD1 LEU 671 1HD1 LEU 671 -10.050 0.919 5.418 216 2HD1 LEU 671 2HD1 LEU 671 -9.040 0.220 4.154 217 3HD1 LEU 671 3HD1 LEU 671 -8.318 1.251 5.388 218 1HD2 LEU 671 1HD2 LEU 671 -9.671 -2.650 6.402 219 2HD2 LEU 671 2HD2 LEU 671 -9.559 -2.190 4.703 220 3HD2 LEU 671 3HD2 LEU 671 -10.800 -1.472 5.731 221 H GLU 672 H GLU 672 -5.903 -2.195 8.188 222 HA GLU 672 HA GLU 672 -7.375 -1.542 10.414 223 1HB GLU 672 1HB GLU 672 -4.823 -3.086 10.077 224 2HB GLU 672 2HB GLU 672 -5.510 -2.840 11.677 225 1HG GLU 672 1HG GLU 672 -6.824 -4.213 9.345 226 2HG GLU 672 2HG GLU 672 -6.204 -4.971 10.811 227 H ARG 673 H ARG 673 -3.869 -0.953 10.084 228 HA ARG 673 HA ARG 673 -3.473 0.535 12.358 229 1HB ARG 673 1HB ARG 673 -2.170 0.870 9.652 230 2HB ARG 673 2HB ARG 673 -1.577 1.607 11.135 231 1HG ARG 673 1HG ARG 673 -1.958 -1.355 10.924 232 2HG ARG 673 2HG ARG 673 -0.492 -0.571 10.333 233 1HD ARG 673 1HD ARG 673 0.157 -1.048 12.470 234 2HD ARG 673 2HD ARG 673 -0.545 0.550 12.719 235 HE ARG 673 HE ARG 673 -2.273 -0.414 13.900 236 1HH1 ARG 673 2HH1 ARG 673 -0.372 -2.878 12.341 237 2HH1 ARG 673 1HH1 ARG 673 -1.118 -4.183 13.203 238 1HH2 ARG 673 2HH2 ARG 673 -3.263 -2.123 15.041 239 2HH2 ARG 673 1HH2 ARG 673 -2.763 -3.753 14.738 240 H GLY 674 H GLY 674 -5.257 1.403 9.566 241 1HA GLY 674 1HA GLY 674 -6.670 3.230 9.311 242 2HA GLY 674 2HA GLY 674 -5.986 3.927 10.772 243 H VAL 675 H VAL 675 -4.381 2.893 7.780 244 HA VAL 675 HA VAL 675 -2.774 5.237 7.686 245 HB VAL 675 HB VAL 675 -3.264 3.085 5.627 246 1HG1 VAL 675 1HG1 VAL 675 -1.121 5.203 5.573 247 2HG1 VAL 675 2HG1 VAL 675 -1.442 3.969 4.353 248 3HG1 VAL 675 3HG1 VAL 675 -2.602 5.271 4.619 249 1HG2 VAL 675 1HG2 VAL 675 -2.117 2.131 7.429 250 2HG2 VAL 675 2HG2 VAL 675 -0.845 2.553 6.283 251 3HG2 VAL 675 3HG2 VAL 675 -1.138 3.576 7.689 252 H SER 676 H SER 676 -3.769 7.146 7.385 253 HA SER 676 HA SER 676 -6.094 7.559 5.857 254 1HB SER 676 1HB SER 676 -5.233 9.095 7.642 255 2HB SER 676 2HB SER 676 -3.978 9.619 6.519 256 HG SER 676 HG SER 676 -6.645 9.704 5.678 257 H ALA 677 H ALA 677 -6.417 8.391 3.802 258 HA ALA 677 HA ALA 677 -4.358 7.747 1.885 259 1HB ALA 677 1HB ALA 677 -6.628 9.070 0.721 260 2HB ALA 677 2HB ALA 677 -6.078 7.406 0.523 261 3HB ALA 677 3HB ALA 677 -7.155 7.826 1.855 262 H PHE 678 H PHE 678 -5.907 10.644 3.153 263 HA PHE 678 HA PHE 678 -4.691 12.436 1.294 264 1HB PHE 678 1HB PHE 678 -6.029 12.883 3.966 265 2HB PHE 678 2HB PHE 678 -5.431 14.192 2.952 266 HD1 PHE 678 1HD PHE 678 -6.724 15.038 1.201 267 HD2 PHE 678 2HD PHE 678 -7.804 11.348 3.027 268 HE1 PHE 678 1HE PHE 678 -8.851 15.054 -0.035 269 HE2 PHE 678 2HE PHE 678 -9.932 11.357 1.793 270 HZ PHE 678 HZ PHE 678 -10.458 13.211 0.259 271 H SER 679 H SER 679 -3.462 10.686 3.858 272 HA SER 679 HA SER 679 -1.558 12.637 4.797 273 1HB SER 679 1HB SER 679 -2.161 9.774 5.402 274 2HB SER 679 2HB SER 679 -0.572 10.405 5.836 275 HG SER 679 HG SER 679 -1.588 11.982 7.086 276 H THR 680 H THR 680 0.816 12.027 4.813 277 HA THR 680 HA THR 680 1.594 11.376 2.071 278 HB THR 680 HB THR 680 2.438 13.479 3.096 279 HG1 THR 680 1HG THR 680 3.630 12.182 1.468 280 1HG2 THR 680 1HG2 THR 680 4.155 11.701 4.820 281 2HG2 THR 680 2HG2 THR 680 2.684 12.480 5.402 282 3HG2 THR 680 3HG2 THR 680 4.043 13.460 4.853 283 H TRP 681 H TRP 681 3.849 10.275 1.946 284 HA TRP 681 HA TRP 681 3.556 7.666 3.042 285 1HB TRP 681 1HB TRP 681 4.561 7.823 0.893 286 2HB TRP 681 2HB TRP 681 5.749 8.996 1.454 287 HD1 TRP 681 HD TRP 681 8.040 8.052 2.140 288 HE1 TRP 681 1HE TRP 681 9.001 5.701 2.557 289 HE3 TRP 681 3HE TRP 681 3.714 5.345 1.846 290 HZ2 TRP 681 2HZ TRP 681 8.049 3.049 2.736 291 HZ3 TRP 681 3HZ TRP 681 3.825 2.906 2.151 292 HH2 TRP 681 HH TRP 681 5.949 1.784 2.586 293 H GLU 682 H GLU 682 5.400 10.496 3.923 294 HA GLU 682 HA GLU 682 7.299 9.321 5.608 295 1HB GLU 682 1HB GLU 682 5.986 12.034 5.838 296 2HB GLU 682 2HB GLU 682 7.449 11.542 6.680 297 1HG GLU 682 1HG GLU 682 8.641 11.336 4.611 298 2HG GLU 682 2HG GLU 682 7.169 11.631 3.686 299 H LYS 683 H LYS 683 4.233 10.892 6.539 300 HA LYS 683 HA LYS 683 4.280 10.168 9.227 301 1HB LYS 683 1HB LYS 683 2.154 10.975 7.304 302 2HB LYS 683 2HB LYS 683 1.647 10.276 8.836 303 1HG LYS 683 1HG LYS 683 2.949 11.990 10.026 304 2HG LYS 683 2HG LYS 683 3.383 12.710 8.473 305 1HD LYS 683 1HD LYS 683 0.843 12.835 8.065 306 2HD LYS 683 2HD LYS 683 0.697 12.574 9.805 307 1HE LYS 683 1HE LYS 683 2.337 14.770 8.552 308 2HE LYS 683 2HE LYS 683 0.678 14.973 9.112 309 1HZ LYS 683 1HZ LYS 683 1.298 14.719 11.307 310 2HZ LYS 683 2HZ LYS 683 2.600 15.594 10.675 311 3HZ LYS 683 3HZ LYS 683 2.747 13.929 10.933 312 H GLU 684 H GLU 684 2.411 8.599 6.619 313 HA GLU 684 HA GLU 684 1.499 6.429 8.093 314 1HB GLU 684 1HB GLU 684 2.196 6.487 5.151 315 2HB GLU 684 2HB GLU 684 1.163 5.302 5.939 316 1HG GLU 684 1HG GLU 684 0.627 8.228 5.526 317 2HG GLU 684 2HG GLU 684 -0.248 6.856 4.846 318 H LEU 685 H LEU 685 4.532 6.857 6.344 319 HA LEU 685 HA LEU 685 5.521 4.275 6.411 320 1HB LEU 685 1HB LEU 685 6.768 5.799 5.182 321 2HB LEU 685 2HB LEU 685 6.820 6.966 6.501 322 HG LEU 685 HG LEU 685 8.304 5.200 7.682 323 1HD1 LEU 685 1HD1 LEU 685 8.716 3.334 6.562 324 2HD1 LEU 685 2HD1 LEU 685 9.558 4.288 5.341 325 3HD1 LEU 685 3HD1 LEU 685 7.839 3.937 5.155 326 1HD2 LEU 685 1HD2 LEU 685 10.167 6.364 7.004 327 2HD2 LEU 685 2HD2 LEU 685 8.882 7.479 6.537 328 3HD2 LEU 685 3HD2 LEU 685 9.639 6.446 5.323 329 H HIS 686 H HIS 686 6.235 6.841 8.788 330 HA HIS 686 HA HIS 686 7.546 5.186 10.627 331 1HB HIS 686 1HB HIS 686 7.429 6.996 12.148 332 2HB HIS 686 2HB HIS 686 7.514 7.734 10.551 333 HD1 HIS 686 1HD HIS 686 4.621 6.548 12.737 334 HD2 HIS 686 2HD HIS 686 5.817 9.822 10.476 335 HE1 HIS 686 1HE HIS 686 2.747 8.214 12.923 336 H LYS 687 H LYS 687 4.170 5.734 10.032 337 HA LYS 687 HA LYS 687 3.182 4.768 12.514 338 1HB LYS 687 1HB LYS 687 1.963 5.149 9.791 339 2HB LYS 687 2HB LYS 687 1.053 4.402 11.097 340 1HG LYS 687 1HG LYS 687 1.591 6.473 12.460 341 2HG LYS 687 2HG LYS 687 2.133 7.198 10.944 342 1HD LYS 687 1HD LYS 687 -0.100 6.717 9.975 343 2HD LYS 687 2HD LYS 687 -0.622 6.127 11.555 344 1HE LYS 687 1HE LYS 687 0.543 8.870 11.250 345 2HE LYS 687 2HE LYS 687 -1.155 8.568 10.883 346 1HZ LYS 687 1HZ LYS 687 -1.162 9.198 13.100 347 2HZ LYS 687 2HZ LYS 687 0.241 8.330 13.472 348 3HZ LYS 687 3HZ LYS 687 -1.211 7.509 13.195 349 H ILE 688 H ILE 688 4.063 3.245 9.480 350 HA ILE 688 HA ILE 688 3.334 0.628 10.617 351 HB ILE 688 HB ILE 688 3.384 -0.229 8.300 352 1HG1 ILE 688 1HG1 ILE 688 3.370 2.574 7.264 353 2HG1 ILE 688 2HG1 ILE 688 4.917 1.819 7.629 354 1HG2 ILE 688 1HG2 ILE 688 1.515 1.882 9.209 355 2HG2 ILE 688 2HG2 ILE 688 1.386 1.349 7.534 356 3HG2 ILE 688 3HG2 ILE 688 1.217 0.183 8.845 357 1HD1 ILE 688 1HD1 ILE 688 3.712 -0.121 6.169 358 2HD1 ILE 688 2HD1 ILE 688 3.059 1.339 5.426 359 3HD1 ILE 688 3HD1 ILE 688 4.804 1.101 5.520 360 H VAL 689 H VAL 689 5.888 2.493 10.591 361 HA VAL 689 HA VAL 689 7.921 0.916 9.379 362 HB VAL 689 HB VAL 689 8.098 3.371 9.956 363 1HG1 VAL 689 1HG1 VAL 689 9.036 2.565 12.664 364 2HG1 VAL 689 2HG1 VAL 689 8.412 4.116 12.099 365 3HG1 VAL 689 3HG1 VAL 689 7.306 2.774 12.395 366 1HG2 VAL 689 1HG2 VAL 689 10.535 2.654 11.117 367 2HG2 VAL 689 2HG2 VAL 689 10.083 1.287 10.099 368 3HG2 VAL 689 3HG2 VAL 689 10.202 2.904 9.403 369 H PHE 690 H PHE 690 6.451 0.993 12.556 370 HA PHE 690 HA PHE 690 8.415 -0.702 13.782 371 1HB PHE 690 1HB PHE 690 7.113 -0.563 15.735 372 2HB PHE 690 2HB PHE 690 6.874 0.993 14.947 373 HD1 PHE 690 1HD PHE 690 5.343 -2.349 15.421 374 HD2 PHE 690 2HD PHE 690 4.732 1.738 14.401 375 HE1 PHE 690 1HE PHE 690 2.909 -2.703 15.475 376 HE2 PHE 690 2HE PHE 690 2.297 1.391 14.454 377 HZ PHE 690 HZ PHE 690 1.382 -0.832 14.992 378 H ASP 691 H ASP 691 5.236 -1.138 12.328 379 HA ASP 691 HA ASP 691 4.643 -3.720 13.086 380 1HB ASP 691 1HB ASP 691 3.261 -2.112 11.654 381 2HB ASP 691 2HB ASP 691 4.183 -2.717 10.280 382 HA PRO 692 HA PRO 692 7.821 -6.232 11.351 383 1HB PRO 692 1HB PRO 692 6.519 -8.614 11.400 384 2HB PRO 692 2HB PRO 692 7.155 -7.837 12.855 385 1HG PRO 692 1HG PRO 692 4.358 -7.862 11.789 386 2HG PRO 692 2HG PRO 692 4.921 -8.061 13.458 387 1HD PRO 692 1HD PRO 692 3.928 -5.722 12.525 388 2HD PRO 692 2HD PRO 692 5.190 -5.794 13.771 389 H ARG 693 H ARG 693 4.529 -6.513 10.060 390 HA ARG 693 HA ARG 693 5.134 -7.881 7.701 391 1HB ARG 693 1HB ARG 693 2.938 -5.932 8.387 392 2HB ARG 693 2HB ARG 693 3.024 -6.743 6.829 393 1HG ARG 693 1HG ARG 693 2.619 -8.839 7.758 394 2HG ARG 693 2HG ARG 693 3.046 -8.301 9.384 395 1HD ARG 693 1HD ARG 693 0.743 -7.021 7.990 396 2HD ARG 693 2HD ARG 693 0.536 -8.629 8.681 397 HE ARG 693 HE ARG 693 0.565 -6.202 10.101 398 1HH1 ARG 693 2HH1 ARG 693 1.795 -9.453 10.298 399 2HH1 ARG 693 1HH1 ARG 693 1.843 -9.469 12.030 400 1HH2 ARG 693 2HH2 ARG 693 0.623 -6.211 12.381 401 2HH2 ARG 693 1HH2 ARG 693 1.175 -7.624 13.214 402 H TYR 694 H TYR 694 5.772 -4.639 8.624 403 HA TYR 694 HA TYR 694 5.890 -3.466 6.041 404 1HB TYR 694 1HB TYR 694 5.677 -2.050 7.984 405 2HB TYR 694 2HB TYR 694 7.178 -2.673 8.659 406 HD1 TYR 694 1HD TYR 694 9.073 -1.380 8.419 407 HD2 TYR 694 2HD TYR 694 5.954 -0.987 5.552 408 HE1 TYR 694 1HE TYR 694 10.323 0.428 7.316 409 HE2 TYR 694 2HE TYR 694 7.195 0.821 4.441 410 HH TYR 694 HH TYR 694 10.066 1.380 4.485 411 H LEU 695 H LEU 695 7.787 -5.802 7.463 412 HA LEU 695 HA LEU 695 10.086 -5.116 5.750 413 1HB LEU 695 1HB LEU 695 10.126 -6.761 8.274 414 2HB LEU 695 2HB LEU 695 11.518 -6.300 7.296 415 HG LEU 695 HG LEU 695 9.774 -4.314 8.744 416 1HD1 LEU 695 1HD1 LEU 695 12.352 -5.599 9.631 417 2HD1 LEU 695 2HD1 LEU 695 10.771 -5.768 10.393 418 3HD1 LEU 695 3HD1 LEU 695 11.593 -4.208 10.404 419 1HD2 LEU 695 1HD2 LEU 695 12.471 -3.500 8.311 420 2HD2 LEU 695 2HD2 LEU 695 10.984 -2.783 7.691 421 3HD2 LEU 695 3HD2 LEU 695 11.792 -4.061 6.782 422 H LEU 696 H LEU 696 7.558 -6.750 5.319 423 HA LEU 696 HA LEU 696 8.788 -9.348 4.714 424 1HB LEU 696 1HB LEU 696 5.892 -8.526 4.846 425 2HB LEU 696 2HB LEU 696 6.461 -10.134 4.405 426 HG LEU 696 HG LEU 696 6.880 -8.817 7.088 427 1HD1 LEU 696 1HD1 LEU 696 5.119 -10.064 7.932 428 2HD1 LEU 696 2HD1 LEU 696 5.108 -11.169 6.557 429 3HD1 LEU 696 3HD1 LEU 696 4.502 -9.523 6.371 430 1HD2 LEU 696 1HD2 LEU 696 8.626 -10.310 6.916 431 2HD2 LEU 696 2HD2 LEU 696 7.716 -11.424 5.895 432 3HD2 LEU 696 3HD2 LEU 696 7.365 -11.322 7.621 433 H LEU 697 H LEU 697 7.105 -6.617 3.289 434 HA LEU 697 HA LEU 697 7.368 -7.820 0.626 435 1HB LEU 697 1HB LEU 697 5.703 -5.600 1.746 436 2HB LEU 697 2HB LEU 697 6.004 -5.699 0.012 437 HG LEU 697 HG LEU 697 4.767 -7.944 1.594 438 1HD1 LEU 697 1HD1 LEU 697 3.163 -6.122 -0.133 439 2HD1 LEU 697 2HD1 LEU 697 3.528 -5.638 1.523 440 3HD1 LEU 697 3HD1 LEU 697 2.654 -7.139 1.216 441 1HD2 LEU 697 1HD2 LEU 697 4.142 -8.821 -0.518 442 2HD2 LEU 697 2HD2 LEU 697 5.851 -8.399 -0.632 443 3HD2 LEU 697 3HD2 LEU 697 4.632 -7.347 -1.353 444 H ASN 698 H ASN 698 8.497 -6.824 -1.023 445 HA ASN 698 HA ASN 698 10.853 -5.536 -0.468 446 1HB ASN 698 1HB ASN 698 9.176 -5.822 -2.907 447 2HB ASN 698 2HB ASN 698 10.456 -4.613 -2.953 448 1HD2 ASN 698 1HD2 ASN 698 12.429 -5.773 -1.507 449 2HD2 ASN 698 2HD2 ASN 698 12.972 -7.216 -2.288 450 HA PRO 699 HA PRO 699 10.081 -1.293 0.336 451 1HB PRO 699 1HB PRO 699 12.065 -0.050 -1.038 452 2HB PRO 699 2HB PRO 699 12.356 -0.987 0.432 453 1HG PRO 699 1HG PRO 699 12.718 -1.792 -2.428 454 2HG PRO 699 2HG PRO 699 13.778 -2.091 -1.039 455 1HD PRO 699 1HD PRO 699 12.097 -3.973 -2.021 456 2HD PRO 699 2HD PRO 699 12.515 -3.871 -0.298 457 H LYS 700 H LYS 700 10.528 -2.117 -3.070 458 HA LYS 700 HA LYS 700 9.378 0.288 -4.084 459 1HB LYS 700 1HB LYS 700 10.224 -2.331 -5.225 460 2HB LYS 700 2HB LYS 700 9.112 -1.348 -6.169 461 1HG LYS 700 1HG LYS 700 11.204 -0.726 -6.954 462 2HG LYS 700 2HG LYS 700 10.795 0.553 -5.808 463 1HD LYS 700 1HD LYS 700 12.305 -0.213 -4.221 464 2HD LYS 700 2HD LYS 700 12.348 -1.841 -4.902 465 1HE LYS 700 1HE LYS 700 13.361 -0.616 -6.981 466 2HE LYS 700 2HE LYS 700 13.747 0.639 -5.804 467 1HZ LYS 700 1HZ LYS 700 15.614 -0.678 -5.756 468 2HZ LYS 700 2HZ LYS 700 14.757 -2.120 -5.970 469 3HZ LYS 700 3HZ LYS 700 14.725 -1.331 -4.473 470 H GLU 701 H GLU 701 8.158 -3.004 -3.572 471 HA GLU 701 HA GLU 701 5.598 -2.608 -4.649 472 1HB GLU 701 1HB GLU 701 6.556 -4.502 -2.500 473 2HB GLU 701 2HB GLU 701 4.951 -4.565 -3.214 474 1HG GLU 701 1HG GLU 701 6.815 -6.119 -4.106 475 2HG GLU 701 2HG GLU 701 5.729 -5.319 -5.241 476 H ARG 702 H ARG 702 6.716 -2.414 -1.275 477 HA ARG 702 HA ARG 702 4.455 -1.885 0.092 478 1HB ARG 702 1HB ARG 702 7.187 -0.661 0.322 479 2HB ARG 702 2HB ARG 702 5.893 -0.163 1.404 480 1HG ARG 702 1HG ARG 702 5.648 -2.420 2.220 481 2HG ARG 702 2HG ARG 702 6.847 -2.998 1.061 482 1HD ARG 702 1HD ARG 702 7.627 -0.809 2.915 483 2HD ARG 702 2HD ARG 702 7.479 -2.439 3.571 484 HE ARG 702 HE ARG 702 9.013 -2.646 1.278 485 1HH1 ARG 702 2HH1 ARG 702 9.212 -1.053 4.367 486 2HH1 ARG 702 1HH1 ARG 702 10.943 -1.098 4.425 487 1HH2 ARG 702 2HH2 ARG 702 11.292 -2.711 1.343 488 2HH2 ARG 702 1HH2 ARG 702 12.125 -2.040 2.704 489 H LYS 703 H LYS 703 6.241 0.482 -1.856 490 HA LYS 703 HA LYS 703 4.452 2.633 -1.310 491 1HB LYS 703 1HB LYS 703 6.888 2.762 -2.111 492 2HB LYS 703 2HB LYS 703 6.250 2.439 -3.718 493 1HG LYS 703 1HG LYS 703 5.123 4.676 -2.095 494 2HG LYS 703 2HG LYS 703 6.653 4.883 -2.950 495 1HD LYS 703 1HD LYS 703 4.353 3.739 -4.448 496 2HD LYS 703 2HD LYS 703 4.330 5.466 -4.082 497 1HE LYS 703 1HE LYS 703 6.656 4.076 -5.397 498 2HE LYS 703 2HE LYS 703 5.346 4.835 -6.299 499 1HZ LYS 703 1HZ LYS 703 7.462 6.077 -4.695 500 2HZ LYS 703 2HZ LYS 703 5.965 6.859 -4.790 501 3HZ LYS 703 3HZ LYS 703 6.841 6.536 -6.200 502 H GLN 704 H GLN 704 4.829 0.367 -4.008 503 HA GLN 704 HA GLN 704 2.901 1.451 -5.712 504 1HB GLN 704 1HB GLN 704 3.999 -1.322 -5.356 505 2HB GLN 704 2HB GLN 704 2.720 -1.005 -6.521 506 1HG GLN 704 1HG GLN 704 4.321 0.861 -7.365 507 2HG GLN 704 2HG GLN 704 5.553 -0.078 -6.522 508 1HE2 GLN 704 1HE2 GLN 704 6.395 -0.220 -8.752 509 2HE2 GLN 704 2HE2 GLN 704 5.829 -1.508 -9.754 510 H VAL 705 H VAL 705 2.530 -1.311 -3.482 511 HA VAL 705 HA VAL 705 -0.220 -1.640 -3.803 512 HB VAL 705 HB VAL 705 1.450 -2.209 -1.350 513 1HG1 VAL 705 1HG1 VAL 705 -0.388 -2.921 -0.329 514 2HG1 VAL 705 2HG1 VAL 705 -1.345 -2.290 -1.671 515 3HG1 VAL 705 3HG1 VAL 705 -0.786 -3.963 -1.695 516 1HG2 VAL 705 1HG2 VAL 705 0.900 -3.708 -3.871 517 2HG2 VAL 705 2HG2 VAL 705 2.410 -3.523 -2.980 518 3HG2 VAL 705 3HG2 VAL 705 1.153 -4.600 -2.371 519 H PHE 706 H PHE 706 1.590 0.409 -1.564 520 HA PHE 706 HA PHE 706 -0.641 1.285 -0.061 521 1HB PHE 706 1HB PHE 706 1.411 1.631 0.999 522 2HB PHE 706 2HB PHE 706 2.156 2.300 -0.450 523 HD1 PHE 706 1HD PHE 706 2.483 4.569 -0.557 524 HD2 PHE 706 2HD PHE 706 -0.611 3.044 1.938 525 HE1 PHE 706 1HE PHE 706 2.020 6.845 0.255 526 HE2 PHE 706 2HE PHE 706 -1.079 5.318 2.752 527 HZ PHE 706 HZ PHE 706 0.237 7.222 1.911 528 H ASP 707 H ASP 707 0.778 2.325 -3.071 529 HA ASP 707 HA ASP 707 -0.452 4.868 -3.228 530 1HB ASP 707 1HB ASP 707 1.381 4.494 -4.675 531 2HB ASP 707 2HB ASP 707 0.688 2.999 -5.298 532 H GLN 708 H GLN 708 -1.316 1.774 -4.780 533 HA GLN 708 HA GLN 708 -3.698 2.629 -5.950 534 1HB GLN 708 1HB GLN 708 -4.100 0.411 -6.452 535 2HB GLN 708 2HB GLN 708 -2.361 0.394 -6.189 536 1HG GLN 708 1HG GLN 708 -2.630 -0.523 -4.001 537 2HG GLN 708 2HG GLN 708 -4.380 -0.321 -4.079 538 1HE2 GLN 708 1HE2 GLN 708 -4.078 -2.672 -3.458 539 2HE2 GLN 708 2HE2 GLN 708 -4.038 -3.810 -4.758 540 H TYR 709 H TYR 709 -3.085 1.272 -2.743 541 HA TYR 709 HA TYR 709 -5.744 1.008 -1.911 542 1HB TYR 709 1HB TYR 709 -4.163 -0.055 -0.550 543 2HB TYR 709 2HB TYR 709 -3.148 1.379 -0.445 544 HD1 TYR 709 1HD TYR 709 -5.539 -0.591 1.234 545 HD2 TYR 709 2HD TYR 709 -4.238 3.434 0.775 546 HE1 TYR 709 1HE TYR 709 -6.591 -0.013 3.380 547 HE2 TYR 709 2HE TYR 709 -5.286 4.023 2.921 548 HH TYR 709 HH TYR 709 -7.082 3.187 4.383 549 H VAL 710 H VAL 710 -3.521 3.750 -1.742 550 HA VAL 710 HA VAL 710 -5.154 5.449 -0.202 551 HB VAL 710 HB VAL 710 -3.067 6.185 -2.260 552 1HG1 VAL 710 1HG1 VAL 710 -3.276 8.355 -1.700 553 2HG1 VAL 710 2HG1 VAL 710 -4.903 7.876 -1.210 554 3HG1 VAL 710 3HG1 VAL 710 -3.617 7.994 -0.008 555 1HG2 VAL 710 1HG2 VAL 710 -2.361 6.523 0.529 556 2HG2 VAL 710 2HG2 VAL 710 -2.758 4.847 0.151 557 3HG2 VAL 710 3HG2 VAL 710 -1.498 5.682 -0.758 558 H LYS 711 H LYS 711 -4.708 5.231 -3.727 559 HA LYS 711 HA LYS 711 -6.414 7.240 -4.533 560 1HB LYS 711 1HB LYS 711 -5.499 4.680 -5.745 561 2HB LYS 711 2HB LYS 711 -6.852 5.501 -6.512 562 1HG LYS 711 1HG LYS 711 -4.847 6.189 -7.600 563 2HG LYS 711 2HG LYS 711 -5.448 7.551 -6.651 564 1HD LYS 711 1HD LYS 711 -3.849 6.998 -4.870 565 2HD LYS 711 2HD LYS 711 -3.239 5.658 -5.843 566 1HE LYS 711 1HE LYS 711 -2.167 7.040 -7.319 567 2HE LYS 711 2HE LYS 711 -3.298 8.369 -7.064 568 1HZ LYS 711 1HZ LYS 711 -1.902 9.254 -5.615 569 2HZ LYS 711 2HZ LYS 711 -0.790 8.014 -5.908 570 3HZ LYS 711 3HZ LYS 711 -1.926 7.854 -4.665 571 H THR 712 H THR 712 -7.244 3.818 -3.996 572 HA THR 712 HA THR 712 -9.979 4.038 -4.550 573 HB THR 712 HB THR 712 -10.124 2.004 -2.921 574 HG1 THR 712 1HG THR 712 -8.309 1.525 -1.962 575 1HG2 THR 712 1HG2 THR 712 -9.496 2.292 -5.621 576 2HG2 THR 712 2HG2 THR 712 -10.033 0.819 -4.812 577 3HG2 THR 712 3HG2 THR 712 -8.310 1.142 -5.005 578 H ARG 713 H ARG 713 -8.184 4.463 -1.535 579 HA ARG 713 HA ARG 713 -10.438 4.743 0.148 580 1HB ARG 713 1HB ARG 713 -7.530 5.363 0.360 581 2HB ARG 713 2HB ARG 713 -8.618 6.106 1.526 582 1HG ARG 713 1HG ARG 713 -8.633 3.152 1.015 583 2HG ARG 713 2HG ARG 713 -7.523 3.899 2.166 584 1HD ARG 713 1HD ARG 713 -9.272 3.376 3.552 585 2HD ARG 713 2HD ARG 713 -9.720 5.013 3.072 586 HE ARG 713 HE ARG 713 -10.876 3.257 1.248 587 1HH1 ARG 713 2HH1 ARG 713 -11.092 4.025 4.637 588 2HH1 ARG 713 1HH1 ARG 713 -12.757 3.568 4.768 589 1HH2 ARG 713 2HH2 ARG 713 -13.069 2.651 1.409 590 2HH2 ARG 713 1HH2 ARG 713 -13.881 2.785 2.932 591 H ALA 714 H ALA 714 -8.794 6.921 -1.994 592 HA ALA 714 HA ALA 714 -9.920 9.314 -0.851 593 1HB ALA 714 1HB ALA 714 -8.346 10.322 -2.047 594 2HB ALA 714 2HB ALA 714 -7.829 8.735 -2.620 595 3HB ALA 714 3HB ALA 714 -9.001 9.670 -3.549 596 H GLU 715 H GLU 715 -10.387 7.541 -3.912 597 HA GLU 715 HA GLU 715 -12.461 9.066 -4.940 598 1HB GLU 715 1HB GLU 715 -12.766 7.388 -6.495 599 2HB GLU 715 2HB GLU 715 -11.133 7.044 -5.941 600 1HG GLU 715 1HG GLU 715 -12.034 5.344 -4.409 601 2HG GLU 715 2HG GLU 715 -13.650 5.662 -5.039 602 H GLU 716 H GLU 716 -12.569 6.383 -2.648 603 HA GLU 716 HA GLU 716 -15.458 6.431 -2.520 604 1HB GLU 716 1HB GLU 716 -13.807 4.406 -2.190 605 2HB GLU 716 2HB GLU 716 -13.761 4.981 -0.529 606 1HG GLU 716 1HG GLU 716 -15.440 3.421 -0.444 607 2HG GLU 716 2HG GLU 716 -16.347 4.910 -0.702 608 H GLU 717 H GLU 717 -13.698 8.762 -1.688 609 HA GLU 717 HA GLU 717 -13.440 9.329 0.902 610 1HB GLU 717 1HB GLU 717 -13.975 11.630 0.460 611 2HB GLU 717 2HB GLU 717 -13.187 10.964 -0.963 612 1HG GLU 717 1HG GLU 717 -15.539 10.570 -1.867 613 2HG GLU 717 2HG GLU 717 -16.080 11.637 -0.572 614 H ARG 718 H ARG 718 -14.608 9.201 2.696 615 HA ARG 718 HA ARG 718 -17.406 8.534 2.560 616 1HB ARG 718 1HB ARG 718 -17.262 8.263 4.971 617 2HB ARG 718 2HB ARG 718 -15.902 7.464 4.194 618 1HG ARG 718 1HG ARG 718 -14.789 8.505 5.868 619 2HG ARG 718 2HG ARG 718 -14.744 9.801 4.671 620 1HD ARG 718 1HD ARG 718 -16.891 10.650 5.714 621 2HD ARG 718 2HD ARG 718 -16.596 9.507 7.024 622 HE ARG 718 HE ARG 718 -15.171 11.969 6.500 623 1HH1 ARG 718 2HH1 ARG 718 -15.187 8.908 8.159 624 2HH1 ARG 718 1HH1 ARG 718 -14.053 9.411 9.369 625 1HH2 ARG 718 2HH2 ARG 718 -13.677 12.642 8.087 626 2HH2 ARG 718 1HH2 ARG 718 -13.196 11.535 9.328 627 H ARG 719 H ARG 719 -19.128 9.717 3.411 628 HA ARG 719 HA ARG 719 -18.630 12.606 3.577 629 1HB ARG 719 1HB ARG 719 -20.928 10.943 2.668 630 2HB ARG 719 2HB ARG 719 -21.282 12.514 3.374 631 1HG ARG 719 1HG ARG 719 -19.785 13.562 1.720 632 2HG ARG 719 2HG ARG 719 -19.528 11.978 0.987 633 1HD ARG 719 1HD ARG 719 -21.209 12.796 -0.342 634 2HD ARG 719 2HD ARG 719 -22.146 11.944 0.886 635 HE ARG 719 HE ARG 719 -21.875 14.517 1.816 636 1HH1 ARG 719 2HH1 ARG 719 -23.196 12.991 -1.021 637 2HH1 ARG 719 1HH1 ARG 719 -24.399 14.211 -1.276 638 1HH2 ARG 719 2HH2 ARG 719 -23.454 16.130 1.490 639 2HH2 ARG 719 1HH2 ARG 719 -24.544 15.997 0.152 640 H SER 720 H SER 720 -21.013 10.346 4.972 641 HA SER 720 HA SER 720 -20.594 11.664 7.573 642 1HB SER 720 1HB SER 720 -22.748 12.354 6.619 643 2HB SER 720 2HB SER 720 -23.216 10.664 6.434 644 HG SER 720 HG SER 720 -23.993 10.911 8.371 645 H GLY 721 H GLY 721 -21.253 10.310 9.444 646 1HA GLY 721 1HA GLY 721 -21.805 7.615 9.411 647 2HA GLY 721 2HA GLY 721 -20.061 7.721 9.229 648 HA PRO 722 HA PRO 722 -21.544 8.115 13.755 649 1HB PRO 722 1HB PRO 722 -21.068 5.574 14.586 650 2HB PRO 722 2HB PRO 722 -22.631 6.099 13.948 651 1HG PRO 722 1HG PRO 722 -20.419 4.626 12.568 652 2HG PRO 722 2HG PRO 722 -22.169 4.344 12.495 653 1HD PRO 722 1HD PRO 722 -20.823 5.663 10.550 654 2HD PRO 722 2HD PRO 722 -22.506 6.041 10.972 655 H SER 723 H SER 723 -20.072 8.617 15.297 656 HA SER 723 HA SER 723 -17.413 8.958 14.767 657 1HB SER 723 1HB SER 723 -18.769 9.833 16.753 658 2HB SER 723 2HB SER 723 -18.392 8.303 17.545 659 HG SER 723 HG SER 723 -16.632 9.302 18.113 660 H SER 724 H SER 724 -18.757 6.286 16.712 661 HA SER 724 HA SER 724 -16.306 4.758 16.146 662 1HB SER 724 1HB SER 724 -18.257 4.656 18.444 663 2HB SER 724 2HB SER 724 -17.115 3.348 18.132 664 HG SER 724 HG SER 724 -16.554 6.049 18.768 665 H GLY 725 H GLY 725 -16.414 2.919 15.007 666 1HA GLY 725 1HA GLY 725 -17.373 0.935 14.199 667 2HA GLY 725 2HA GLY 725 -18.942 1.488 14.766 Start of MODEL 12 1 1H GLY 644 H GLY 644 -14.520 -13.090 9.281 2 1HA GLY 644 1HA GLY 644 -14.647 -14.956 6.991 3 2HA GLY 644 2HA GLY 644 -13.298 -13.869 7.284 4 H SER 645 H SER 645 -13.129 -16.697 6.948 5 HA SER 645 HA SER 645 -11.648 -17.330 9.345 6 1HB SER 645 1HB SER 645 -12.809 -19.425 9.819 7 2HB SER 645 2HB SER 645 -13.939 -18.075 9.926 8 HG SER 645 HG SER 645 -14.746 -19.900 8.734 9 H SER 646 H SER 646 -10.497 -19.448 9.116 10 HA SER 646 HA SER 646 -10.134 -20.276 6.329 11 1HB SER 646 1HB SER 646 -8.425 -18.504 7.010 12 2HB SER 646 2HB SER 646 -7.764 -19.712 8.111 13 HG SER 646 HG SER 646 -6.785 -19.605 5.962 14 H GLY 647 H GLY 647 -8.675 -22.255 6.213 15 1HA GLY 647 1HA GLY 647 -8.224 -23.882 8.465 16 2HA GLY 647 2HA GLY 647 -9.777 -24.313 7.764 17 H SER 648 H SER 648 -6.323 -24.032 7.089 18 HA SER 648 HA SER 648 -6.626 -26.185 5.109 19 1HB SER 648 1HB SER 648 -6.244 -23.786 4.159 20 2HB SER 648 2HB SER 648 -4.585 -24.016 4.710 21 HG SER 648 HG SER 648 -5.347 -24.728 2.451 22 H SER 649 H SER 649 -5.936 -27.671 6.681 23 HA SER 649 HA SER 649 -3.591 -27.387 8.221 24 1HB SER 649 1HB SER 649 -3.778 -29.890 8.487 25 2HB SER 649 2HB SER 649 -5.238 -28.993 8.906 26 HG SER 649 HG SER 649 -5.557 -30.888 7.550 27 H GLY 650 H GLY 650 -1.812 -29.193 7.998 28 1HA GLY 650 1HA GLY 650 0.001 -29.979 6.828 29 2HA GLY 650 2HA GLY 650 -1.057 -30.080 5.428 30 H ALA 651 H ALA 651 1.789 -28.961 6.194 31 HA ALA 651 HA ALA 651 1.563 -26.666 4.385 32 1HB ALA 651 1HB ALA 651 1.680 -25.397 6.277 33 2HB ALA 651 2HB ALA 651 2.574 -26.623 7.178 34 3HB ALA 651 3HB ALA 651 3.403 -25.632 5.977 35 H ARG 652 H ARG 652 3.831 -25.905 3.728 36 HA ARG 652 HA ARG 652 5.405 -28.298 3.095 37 1HB ARG 652 1HB ARG 652 4.943 -25.683 1.746 38 2HB ARG 652 2HB ARG 652 6.495 -26.471 1.494 39 1HG ARG 652 1HG ARG 652 4.731 -26.955 -0.224 40 2HG ARG 652 2HG ARG 652 5.478 -28.370 0.521 41 1HD ARG 652 1HD ARG 652 3.586 -28.759 1.892 42 2HD ARG 652 2HD ARG 652 2.896 -27.183 1.506 43 HE ARG 652 HE ARG 652 3.244 -28.961 -0.748 44 1HH1 ARG 652 2HH1 ARG 652 1.118 -27.823 1.763 45 2HH1 ARG 652 1HH1 ARG 652 -0.327 -28.312 0.941 46 1HH2 ARG 652 2HH2 ARG 652 1.350 -29.610 -1.839 47 2HH2 ARG 652 1HH2 ARG 652 -0.194 -29.330 -1.107 48 H GLU 653 H GLU 653 7.622 -28.390 3.429 49 HA GLU 653 HA GLU 653 8.646 -27.282 5.744 50 1HB GLU 653 1HB GLU 653 10.836 -28.039 4.988 51 2HB GLU 653 2HB GLU 653 9.611 -29.247 4.628 52 1HG GLU 653 1HG GLU 653 9.541 -28.470 2.305 53 2HG GLU 653 2HG GLU 653 10.798 -27.291 2.673 54 H ARG 654 H ARG 654 8.220 -25.808 2.706 55 HA ARG 654 HA ARG 654 10.320 -23.884 2.866 56 1HB ARG 654 1HB ARG 654 7.921 -24.306 1.159 57 2HB ARG 654 2HB ARG 654 8.598 -22.684 1.212 58 1HG ARG 654 1HG ARG 654 9.656 -23.652 -0.606 59 2HG ARG 654 2HG ARG 654 10.840 -23.829 0.691 60 1HD ARG 654 1HD ARG 654 10.826 -25.924 -0.325 61 2HD ARG 654 2HD ARG 654 9.769 -26.134 1.071 62 HE ARG 654 HE ARG 654 8.154 -25.400 -1.060 63 1HH1 ARG 654 2HH1 ARG 654 10.272 -28.029 -0.208 64 2HH1 ARG 654 1HH1 ARG 654 9.399 -29.205 -1.133 65 1HH2 ARG 654 2HH2 ARG 654 6.996 -26.939 -2.282 66 2HH2 ARG 654 1HH2 ARG 654 7.536 -28.584 -2.313 67 H ALA 655 H ALA 655 10.305 -21.812 3.630 68 HA ALA 655 HA ALA 655 7.953 -21.043 5.231 69 1HB ALA 655 1HB ALA 655 10.784 -21.097 5.834 70 2HB ALA 655 2HB ALA 655 10.080 -19.505 6.123 71 3HB ALA 655 3HB ALA 655 9.402 -20.926 6.917 72 H ILE 656 H ILE 656 8.483 -20.505 2.358 73 HA ILE 656 HA ILE 656 8.770 -17.583 2.392 74 HB ILE 656 HB ILE 656 8.814 -19.489 0.048 75 1HG1 ILE 656 1HG1 ILE 656 11.252 -18.505 0.010 76 2HG1 ILE 656 2HG1 ILE 656 10.942 -18.197 1.715 77 1HG2 ILE 656 1HG2 ILE 656 9.400 -16.532 0.126 78 2HG2 ILE 656 2HG2 ILE 656 9.469 -17.581 -1.289 79 3HG2 ILE 656 3HG2 ILE 656 7.922 -17.259 -0.506 80 1HD1 ILE 656 1HD1 ILE 656 11.947 -20.508 0.666 81 2HD1 ILE 656 2HD1 ILE 656 11.196 -20.342 2.254 82 3HD1 ILE 656 3HD1 ILE 656 10.240 -20.898 0.880 83 H VAL 657 H VAL 657 6.746 -16.926 3.051 84 HA VAL 657 HA VAL 657 4.287 -17.937 2.272 85 HB VAL 657 HB VAL 657 3.301 -15.875 2.979 86 1HG1 VAL 657 1HG1 VAL 657 5.789 -16.405 4.601 87 2HG1 VAL 657 2HG1 VAL 657 4.350 -15.552 5.164 88 3HG1 VAL 657 3HG1 VAL 657 4.255 -17.263 4.745 89 1HG2 VAL 657 1HG2 VAL 657 5.162 -14.032 3.592 90 2HG2 VAL 657 2HG2 VAL 657 5.907 -14.753 2.165 91 3HG2 VAL 657 3HG2 VAL 657 4.288 -14.061 2.060 92 HA PRO 658 HA PRO 658 3.812 -16.855 -1.967 93 1HB PRO 658 1HB PRO 658 1.101 -16.771 -2.103 94 2HB PRO 658 2HB PRO 658 2.011 -18.282 -1.976 95 1HG PRO 658 1HG PRO 658 0.604 -16.731 0.164 96 2HG PRO 658 2HG PRO 658 0.629 -18.482 -0.116 97 1HD PRO 658 1HD PRO 658 2.168 -17.286 1.763 98 2HD PRO 658 2HD PRO 658 2.687 -18.741 0.889 99 H LEU 659 H LEU 659 2.930 -15.192 -3.382 100 HA LEU 659 HA LEU 659 3.340 -12.603 -2.458 101 1HB LEU 659 1HB LEU 659 3.418 -13.353 -4.828 102 2HB LEU 659 2HB LEU 659 1.656 -13.411 -4.824 103 HG LEU 659 HG LEU 659 1.716 -10.936 -4.274 104 1HD1 LEU 659 1HD1 LEU 659 4.614 -11.433 -4.843 105 2HD1 LEU 659 2HD1 LEU 659 3.879 -10.523 -3.524 106 3HD1 LEU 659 3HD1 LEU 659 3.876 -9.863 -5.159 107 1HD2 LEU 659 1HD2 LEU 659 2.061 -10.299 -6.601 108 2HD2 LEU 659 2HD2 LEU 659 1.150 -11.805 -6.488 109 3HD2 LEU 659 3HD2 LEU 659 2.862 -11.839 -6.914 110 H GLU 660 H GLU 660 0.271 -14.290 -3.081 111 HA GLU 660 HA GLU 660 -1.467 -12.221 -2.430 112 1HB GLU 660 1HB GLU 660 -1.703 -15.210 -2.298 113 2HB GLU 660 2HB GLU 660 -3.014 -14.190 -1.724 114 1HG GLU 660 1HG GLU 660 -3.288 -13.209 -3.884 115 2HG GLU 660 2HG GLU 660 -1.842 -14.015 -4.487 116 H ALA 661 H ALA 661 0.319 -14.410 -0.367 117 HA ALA 661 HA ALA 661 -1.088 -13.838 2.036 118 1HB ALA 661 1HB ALA 661 1.442 -15.215 1.325 119 2HB ALA 661 2HB ALA 661 1.237 -14.681 2.994 120 3HB ALA 661 3HB ALA 661 0.067 -15.785 2.271 121 H ARG 662 H ARG 662 2.292 -12.999 1.269 122 HA ARG 662 HA ARG 662 2.727 -11.127 3.201 123 1HB ARG 662 1HB ARG 662 4.307 -10.035 1.520 124 2HB ARG 662 2HB ARG 662 4.568 -11.739 1.867 125 1HG ARG 662 1HG ARG 662 2.980 -12.025 -0.235 126 2HG ARG 662 2HG ARG 662 3.624 -10.427 -0.615 127 1HD ARG 662 1HD ARG 662 5.121 -13.006 -0.240 128 2HD ARG 662 2HD ARG 662 5.064 -11.972 -1.667 129 HE ARG 662 HE ARG 662 6.146 -10.402 0.296 130 1HH1 ARG 662 2HH1 ARG 662 6.928 -13.477 -1.139 131 2HH1 ARG 662 1HH1 ARG 662 8.634 -13.307 -0.887 132 1HH2 ARG 662 2HH2 ARG 662 8.390 -10.168 0.633 133 2HH2 ARG 662 1HH2 ARG 662 9.464 -11.425 0.122 134 H MET 663 H MET 663 1.344 -10.518 -0.018 135 HA MET 663 HA MET 663 1.029 -7.763 0.194 136 1HB MET 663 1HB MET 663 -0.433 -9.882 -1.347 137 2HB MET 663 2HB MET 663 -0.976 -8.211 -1.404 138 1HG MET 663 1HG MET 663 1.419 -7.637 -2.064 139 2HG MET 663 2HG MET 663 1.623 -9.364 -2.346 140 1HE MET 663 1HE MET 663 2.023 -7.395 -5.091 141 2HE MET 663 2HE MET 663 0.544 -6.463 -5.325 142 3HE MET 663 3HE MET 663 1.424 -6.353 -3.800 143 H LYS 664 H LYS 664 -1.370 -10.304 0.901 144 HA LYS 664 HA LYS 664 -3.467 -8.759 1.755 145 1HB LYS 664 1HB LYS 664 -2.496 -11.434 2.753 146 2HB LYS 664 2HB LYS 664 -3.998 -10.708 3.309 147 1HG LYS 664 1HG LYS 664 -3.602 -10.927 0.383 148 2HG LYS 664 2HG LYS 664 -3.899 -12.417 1.282 149 1HD LYS 664 1HD LYS 664 -6.061 -11.855 0.906 150 2HD LYS 664 2HD LYS 664 -5.811 -10.869 2.349 151 1HE LYS 664 1HE LYS 664 -4.968 -9.125 0.525 152 2HE LYS 664 2HE LYS 664 -6.060 -10.060 -0.496 153 1HZ LYS 664 1HZ LYS 664 -7.884 -9.459 0.757 154 2HZ LYS 664 2HZ LYS 664 -6.967 -8.038 0.784 155 3HZ LYS 664 3HZ LYS 664 -6.969 -9.068 2.125 156 H GLN 665 H GLN 665 -0.710 -9.877 3.696 157 HA GLN 665 HA GLN 665 -1.489 -8.861 6.160 158 1HB GLN 665 1HB GLN 665 1.249 -9.240 4.954 159 2HB GLN 665 2HB GLN 665 1.007 -8.735 6.621 160 1HG GLN 665 1HG GLN 665 -0.375 -11.186 5.665 161 2HG GLN 665 2HG GLN 665 1.356 -11.258 5.986 162 1HE2 GLN 665 1HE2 GLN 665 1.816 -11.963 7.931 163 2HE2 GLN 665 2HE2 GLN 665 0.883 -11.707 9.362 164 H PHE 666 H PHE 666 0.839 -7.320 3.935 165 HA PHE 666 HA PHE 666 1.134 -4.907 5.164 166 1HB PHE 666 1HB PHE 666 2.198 -5.775 2.985 167 2HB PHE 666 2HB PHE 666 0.805 -5.063 2.176 168 HD1 PHE 666 1HD PHE 666 3.842 -4.367 4.109 169 HD2 PHE 666 2HD PHE 666 0.568 -2.688 1.969 170 HE1 PHE 666 1HE PHE 666 4.975 -2.183 4.097 171 HE2 PHE 666 2HE PHE 666 1.696 -0.501 1.953 172 HZ PHE 666 HZ PHE 666 3.902 -0.247 3.017 173 H LYS 667 H LYS 667 -1.362 -5.677 2.743 174 HA LYS 667 HA LYS 667 -2.683 -3.219 2.796 175 1HB LYS 667 1HB LYS 667 -2.983 -5.233 1.204 176 2HB LYS 667 2HB LYS 667 -4.127 -5.827 2.400 177 1HG LYS 667 1HG LYS 667 -5.553 -3.959 2.093 178 2HG LYS 667 2HG LYS 667 -4.339 -3.109 1.134 179 1HD LYS 667 1HD LYS 667 -4.527 -5.227 -0.405 180 2HD LYS 667 2HD LYS 667 -6.098 -5.401 0.382 181 1HE LYS 667 1HE LYS 667 -6.935 -3.494 -0.565 182 2HE LYS 667 2HE LYS 667 -5.352 -2.729 -0.686 183 1HZ LYS 667 1HZ LYS 667 -5.485 -3.264 -2.831 184 2HZ LYS 667 2HZ LYS 667 -6.740 -4.372 -2.591 185 3HZ LYS 667 3HZ LYS 667 -5.135 -4.849 -2.352 186 H ASP 668 H ASP 668 -3.212 -6.141 4.732 187 HA ASP 668 HA ASP 668 -5.494 -5.419 6.102 188 1HB ASP 668 1HB ASP 668 -4.545 -7.627 6.345 189 2HB ASP 668 2HB ASP 668 -3.092 -6.966 7.091 190 H MET 669 H MET 669 -2.150 -4.486 6.742 191 HA MET 669 HA MET 669 -2.677 -3.147 9.188 192 1HB MET 669 1HB MET 669 -0.408 -2.406 7.370 193 2HB MET 669 2HB MET 669 -0.448 -2.447 9.127 194 1HG MET 669 1HG MET 669 -0.642 -4.940 8.968 195 2HG MET 669 2HG MET 669 -0.336 -4.781 7.240 196 1HE MET 669 1HE MET 669 2.630 -2.388 7.584 197 2HE MET 669 2HE MET 669 2.924 -3.825 6.606 198 3HE MET 669 3HE MET 669 1.353 -3.026 6.549 199 H LEU 670 H LEU 670 -1.954 -1.837 5.946 200 HA LEU 670 HA LEU 670 -2.306 0.819 6.364 201 1HB LEU 670 1HB LEU 670 -3.420 -0.680 3.999 202 2HB LEU 670 2HB LEU 670 -2.994 1.029 4.052 203 HG LEU 670 HG LEU 670 -1.018 -1.232 4.342 204 1HD1 LEU 670 1HD1 LEU 670 -1.761 0.436 1.946 205 2HD1 LEU 670 2HD1 LEU 670 -1.918 -1.311 2.125 206 3HD1 LEU 670 3HD1 LEU 670 -0.318 -0.574 2.050 207 1HD2 LEU 670 1HD2 LEU 670 0.385 0.348 5.013 208 2HD2 LEU 670 2HD2 LEU 670 -0.869 1.577 4.844 209 3HD2 LEU 670 3HD2 LEU 670 0.161 1.174 3.470 210 H LEU 671 H LEU 671 -4.848 -1.599 6.028 211 HA LEU 671 HA LEU 671 -6.967 0.350 6.145 212 1HB LEU 671 1HB LEU 671 -7.103 -1.839 4.930 213 2HB LEU 671 2HB LEU 671 -7.157 -2.635 6.502 214 HG LEU 671 HG LEU 671 -9.241 -1.196 6.936 215 1HD1 LEU 671 1HD1 LEU 671 -9.848 -1.169 4.091 216 2HD1 LEU 671 2HD1 LEU 671 -8.542 -0.069 4.529 217 3HD1 LEU 671 3HD1 LEU 671 -10.112 0.068 5.320 218 1HD2 LEU 671 1HD2 LEU 671 -9.310 -3.364 4.840 219 2HD2 LEU 671 2HD2 LEU 671 -10.674 -2.828 5.822 220 3HD2 LEU 671 3HD2 LEU 671 -9.291 -3.612 6.586 221 H GLU 672 H GLU 672 -5.991 -2.336 8.286 222 HA GLU 672 HA GLU 672 -7.625 -1.738 10.433 223 1HB GLU 672 1HB GLU 672 -5.027 -3.157 10.126 224 2HB GLU 672 2HB GLU 672 -5.540 -2.743 11.755 225 1HG GLU 672 1HG GLU 672 -7.476 -4.098 9.952 226 2HG GLU 672 2HG GLU 672 -6.171 -5.043 10.667 227 H ARG 673 H ARG 673 -4.157 -0.910 10.257 228 HA ARG 673 HA ARG 673 -3.969 0.720 12.437 229 1HB ARG 673 1HB ARG 673 -2.585 0.765 9.779 230 2HB ARG 673 2HB ARG 673 -2.245 2.020 10.963 231 1HG ARG 673 1HG ARG 673 -2.023 -0.906 11.600 232 2HG ARG 673 2HG ARG 673 -0.685 0.035 10.938 233 1HD ARG 673 1HD ARG 673 -0.690 1.494 12.838 234 2HD ARG 673 2HD ARG 673 -2.171 0.763 13.456 235 HE ARG 673 HE ARG 673 0.016 -1.085 13.158 236 1HH1 ARG 673 2HH1 ARG 673 -1.541 1.215 15.257 237 2HH1 ARG 673 1HH1 ARG 673 -0.900 0.521 16.709 238 1HH2 ARG 673 2HH2 ARG 673 0.867 -2.007 15.063 239 2HH2 ARG 673 1HH2 ARG 673 0.471 -1.311 16.597 240 H GLY 674 H GLY 674 -5.575 1.387 9.440 241 1HA GLY 674 1HA GLY 674 -7.167 3.055 9.075 242 2HA GLY 674 2HA GLY 674 -6.651 3.839 10.561 243 H VAL 675 H VAL 675 -4.424 2.891 8.032 244 HA VAL 675 HA VAL 675 -3.108 5.323 7.895 245 HB VAL 675 HB VAL 675 -3.354 3.095 5.889 246 1HG1 VAL 675 1HG1 VAL 675 -2.178 5.784 5.543 247 2HG1 VAL 675 2HG1 VAL 675 -1.209 4.419 4.984 248 3HG1 VAL 675 3HG1 VAL 675 -2.834 4.668 4.346 249 1HG2 VAL 675 1HG2 VAL 675 -1.312 3.984 7.891 250 2HG2 VAL 675 2HG2 VAL 675 -2.039 2.392 7.674 251 3HG2 VAL 675 3HG2 VAL 675 -0.850 2.983 6.514 252 H SER 676 H SER 676 -4.035 7.221 7.466 253 HA SER 676 HA SER 676 -6.354 7.572 5.901 254 1HB SER 676 1HB SER 676 -5.448 9.138 7.692 255 2HB SER 676 2HB SER 676 -4.306 9.716 6.479 256 HG SER 676 HG SER 676 -7.029 9.634 5.833 257 H ALA 677 H ALA 677 -6.625 8.506 3.847 258 HA ALA 677 HA ALA 677 -4.568 7.770 1.956 259 1HB ALA 677 1HB ALA 677 -7.073 7.417 1.652 260 2HB ALA 677 2HB ALA 677 -7.155 9.141 1.287 261 3HB ALA 677 3HB ALA 677 -6.181 8.072 0.278 262 H PHE 678 H PHE 678 -6.087 10.735 3.131 263 HA PHE 678 HA PHE 678 -4.816 12.493 1.317 264 1HB PHE 678 1HB PHE 678 -5.916 13.031 4.084 265 2HB PHE 678 2HB PHE 678 -5.470 14.268 2.914 266 HD1 PHE 678 1HD PHE 678 -6.770 14.509 0.821 267 HD2 PHE 678 2HD PHE 678 -7.983 11.888 3.947 268 HE1 PHE 678 1HE PHE 678 -9.034 14.420 -0.138 269 HE2 PHE 678 2HE PHE 678 -10.249 11.794 2.993 270 HZ PHE 678 HZ PHE 678 -10.777 13.060 0.948 271 H SER 679 H SER 679 -3.767 10.931 4.213 272 HA SER 679 HA SER 679 -1.707 12.688 4.984 273 1HB SER 679 1HB SER 679 -2.257 9.775 5.457 274 2HB SER 679 2HB SER 679 -0.727 10.480 5.980 275 HG SER 679 HG SER 679 -1.889 10.958 7.683 276 H THR 680 H THR 680 0.664 11.949 4.955 277 HA THR 680 HA THR 680 1.363 11.393 2.162 278 HB THR 680 HB THR 680 2.227 13.481 3.270 279 HG1 THR 680 1HG THR 680 4.541 12.835 2.617 280 1HG2 THR 680 1HG2 THR 680 4.322 11.877 4.625 281 2HG2 THR 680 2HG2 THR 680 2.749 11.979 5.415 282 3HG2 THR 680 3HG2 THR 680 3.649 13.451 5.050 283 H TRP 681 H TRP 681 3.428 10.161 1.821 284 HA TRP 681 HA TRP 681 3.208 7.588 2.943 285 1HB TRP 681 1HB TRP 681 4.141 7.748 0.768 286 2HB TRP 681 2HB TRP 681 5.350 8.918 1.289 287 HD1 TRP 681 HD TRP 681 7.660 7.978 1.937 288 HE1 TRP 681 1HE TRP 681 8.639 5.623 2.282 289 HE3 TRP 681 3HE TRP 681 3.341 5.257 1.662 290 HZ2 TRP 681 2HZ TRP 681 7.704 2.963 2.419 291 HZ3 TRP 681 3HZ TRP 681 3.470 2.812 1.909 292 HH2 TRP 681 HH TRP 681 5.607 1.691 2.279 293 H GLU 682 H GLU 682 5.193 10.359 3.754 294 HA GLU 682 HA GLU 682 7.095 9.115 5.379 295 1HB GLU 682 1HB GLU 682 5.926 11.851 5.883 296 2HB GLU 682 2HB GLU 682 7.534 11.276 6.301 297 1HG GLU 682 1HG GLU 682 7.915 10.996 3.806 298 2HG GLU 682 2HG GLU 682 6.442 11.940 3.589 299 H LYS 683 H LYS 683 4.066 10.721 6.366 300 HA LYS 683 HA LYS 683 4.184 10.049 9.070 301 1HB LYS 683 1HB LYS 683 1.952 10.748 7.199 302 2HB LYS 683 2HB LYS 683 1.578 10.216 8.833 303 1HG LYS 683 1HG LYS 683 2.959 12.031 9.731 304 2HG LYS 683 2HG LYS 683 3.297 12.574 8.085 305 1HD LYS 683 1HD LYS 683 0.459 12.254 8.939 306 2HD LYS 683 2HD LYS 683 1.364 13.659 9.508 307 1HE LYS 683 1HE LYS 683 1.637 14.507 7.372 308 2HE LYS 683 2HE LYS 683 1.394 12.938 6.607 309 1HZ LYS 683 1HZ LYS 683 -0.972 13.315 7.781 310 2HZ LYS 683 2HZ LYS 683 -0.632 13.767 6.187 311 3HZ LYS 683 3HZ LYS 683 -0.556 14.916 7.426 312 H GLU 684 H GLU 684 2.243 8.450 6.534 313 HA GLU 684 HA GLU 684 1.364 6.306 8.070 314 1HB GLU 684 1HB GLU 684 1.967 6.295 5.107 315 2HB GLU 684 2HB GLU 684 0.926 5.161 5.956 316 1HG GLU 684 1HG GLU 684 0.459 8.090 5.488 317 2HG GLU 684 2HG GLU 684 -0.470 6.730 4.861 318 H LEU 685 H LEU 685 4.355 6.725 6.261 319 HA LEU 685 HA LEU 685 5.337 4.137 6.292 320 1HB LEU 685 1HB LEU 685 6.512 5.749 5.047 321 2HB LEU 685 2HB LEU 685 6.705 6.805 6.445 322 HG LEU 685 HG LEU 685 8.213 4.992 7.407 323 1HD1 LEU 685 1HD1 LEU 685 9.154 3.385 5.951 324 2HD1 LEU 685 2HD1 LEU 685 8.367 4.094 4.541 325 3HD1 LEU 685 3HD1 LEU 685 7.405 3.262 5.762 326 1HD2 LEU 685 1HD2 LEU 685 9.699 6.532 6.821 327 2HD2 LEU 685 2HD2 LEU 685 8.702 7.046 5.460 328 3HD2 LEU 685 3HD2 LEU 685 9.857 5.727 5.260 329 H HIS 686 H HIS 686 6.079 6.692 8.672 330 HA HIS 686 HA HIS 686 7.446 5.048 10.475 331 1HB HIS 686 1HB HIS 686 7.432 6.856 11.939 332 2HB HIS 686 2HB HIS 686 7.233 7.642 10.375 333 HD1 HIS 686 1HD HIS 686 5.421 9.314 10.312 334 HD2 HIS 686 2HD HIS 686 4.737 6.414 13.207 335 HE1 HIS 686 1HE HIS 686 3.303 10.011 11.475 336 H LYS 687 H LYS 687 4.031 5.649 10.034 337 HA LYS 687 HA LYS 687 3.129 4.580 12.491 338 1HB LYS 687 1HB LYS 687 1.791 4.927 9.811 339 2HB LYS 687 2HB LYS 687 0.948 4.285 11.215 340 1HG LYS 687 1HG LYS 687 1.661 6.422 12.408 341 2HG LYS 687 2HG LYS 687 2.070 7.035 10.804 342 1HD LYS 687 1HD LYS 687 -0.221 6.656 10.062 343 2HD LYS 687 2HD LYS 687 -0.637 5.993 11.644 344 1HE LYS 687 1HE LYS 687 0.539 8.729 11.472 345 2HE LYS 687 2HE LYS 687 -1.158 8.496 11.054 346 1HZ LYS 687 1HZ LYS 687 -0.128 7.389 13.575 347 2HZ LYS 687 2HZ LYS 687 -1.695 7.895 13.188 348 3HZ LYS 687 3HZ LYS 687 -0.485 9.040 13.483 349 H ILE 688 H ILE 688 4.090 3.134 9.475 350 HA ILE 688 HA ILE 688 3.333 0.486 10.526 351 HB ILE 688 HB ILE 688 3.294 -0.336 8.240 352 1HG1 ILE 688 1HG1 ILE 688 3.660 2.480 7.246 353 2HG1 ILE 688 2HG1 ILE 688 5.042 1.419 7.496 354 1HG2 ILE 688 1HG2 ILE 688 1.267 0.699 9.257 355 2HG2 ILE 688 2HG2 ILE 688 1.669 2.194 8.414 356 3HG2 ILE 688 3HG2 ILE 688 1.290 0.738 7.494 357 1HD1 ILE 688 1HD1 ILE 688 3.045 1.438 5.369 358 2HD1 ILE 688 2HD1 ILE 688 4.699 0.825 5.376 359 3HD1 ILE 688 3HD1 ILE 688 3.389 -0.162 6.024 360 H VAL 689 H VAL 689 5.879 2.391 10.496 361 HA VAL 689 HA VAL 689 7.898 0.742 9.309 362 HB VAL 689 HB VAL 689 8.010 3.274 9.737 363 1HG1 VAL 689 1HG1 VAL 689 9.230 2.540 12.359 364 2HG1 VAL 689 2HG1 VAL 689 8.594 4.092 11.809 365 3HG1 VAL 689 3HG1 VAL 689 7.488 2.791 12.252 366 1HG2 VAL 689 1HG2 VAL 689 10.185 3.098 9.245 367 2HG2 VAL 689 2HG2 VAL 689 10.545 2.238 10.742 368 3HG2 VAL 689 3HG2 VAL 689 9.934 1.355 9.343 369 H PHE 690 H PHE 690 6.548 1.144 12.524 370 HA PHE 690 HA PHE 690 8.534 -0.537 13.772 371 1HB PHE 690 1HB PHE 690 7.247 -0.219 15.810 372 2HB PHE 690 2HB PHE 690 7.452 1.328 14.995 373 HD1 PHE 690 1HD PHE 690 5.080 -1.298 15.917 374 HD2 PHE 690 2HD PHE 690 5.575 2.479 14.019 375 HE1 PHE 690 1HE PHE 690 2.643 -0.961 15.961 376 HE2 PHE 690 2HE PHE 690 3.139 2.824 14.061 377 HZ PHE 690 HZ PHE 690 1.670 1.103 15.033 378 H ASP 691 H ASP 691 6.445 -1.385 11.607 379 HA ASP 691 HA ASP 691 5.295 -3.679 13.029 380 1HB ASP 691 1HB ASP 691 3.815 -2.221 11.613 381 2HB ASP 691 2HB ASP 691 4.722 -2.767 10.204 382 HA PRO 692 HA PRO 692 8.325 -6.397 11.342 383 1HB PRO 692 1HB PRO 692 6.973 -8.734 11.629 384 2HB PRO 692 2HB PRO 692 7.694 -7.868 12.991 385 1HG PRO 692 1HG PRO 692 4.850 -7.898 12.058 386 2HG PRO 692 2HG PRO 692 5.486 -7.988 13.711 387 1HD PRO 692 1HD PRO 692 4.504 -5.698 12.651 388 2HD PRO 692 2HD PRO 692 5.823 -5.712 13.840 389 H ARG 693 H ARG 693 4.964 -6.760 10.246 390 HA ARG 693 HA ARG 693 5.500 -8.257 7.935 391 1HB ARG 693 1HB ARG 693 3.246 -6.344 8.559 392 2HB ARG 693 2HB ARG 693 3.282 -7.391 7.146 393 1HG ARG 693 1HG ARG 693 3.030 -9.322 8.413 394 2HG ARG 693 2HG ARG 693 3.551 -8.527 9.900 395 1HD ARG 693 1HD ARG 693 1.089 -7.570 8.512 396 2HD ARG 693 2HD ARG 693 1.018 -9.045 9.476 397 HE ARG 693 HE ARG 693 1.068 -6.398 10.458 398 1HH1 ARG 693 2HH1 ARG 693 2.342 -9.571 11.110 399 2HH1 ARG 693 1HH1 ARG 693 2.492 -9.303 12.815 400 1HH2 ARG 693 2HH2 ARG 693 1.261 -6.032 12.701 401 2HH2 ARG 693 1HH2 ARG 693 1.876 -7.290 13.719 402 H TYR 694 H TYR 694 5.686 -4.833 8.586 403 HA TYR 694 HA TYR 694 5.686 -3.849 5.967 404 1HB TYR 694 1HB TYR 694 5.490 -2.253 7.690 405 2HB TYR 694 2HB TYR 694 6.918 -2.850 8.526 406 HD1 TYR 694 1HD TYR 694 9.052 -1.954 8.071 407 HD2 TYR 694 2HD TYR 694 5.787 -1.023 5.505 408 HE1 TYR 694 1HE TYR 694 10.426 -0.249 6.951 409 HE2 TYR 694 2HE TYR 694 7.153 0.684 4.378 410 HH TYR 694 HH TYR 694 10.233 1.679 5.605 411 H LEU 695 H LEU 695 7.918 -5.852 7.509 412 HA LEU 695 HA LEU 695 10.062 -5.092 5.644 413 1HB LEU 695 1HB LEU 695 10.241 -6.776 8.137 414 2HB LEU 695 2HB LEU 695 11.588 -6.264 7.123 415 HG LEU 695 HG LEU 695 9.830 -4.315 8.596 416 1HD1 LEU 695 1HD1 LEU 695 10.890 -5.892 10.180 417 2HD1 LEU 695 2HD1 LEU 695 11.481 -4.239 10.345 418 3HD1 LEU 695 3HD1 LEU 695 12.465 -5.449 9.521 419 1HD2 LEU 695 1HD2 LEU 695 11.652 -3.928 6.594 420 2HD2 LEU 695 2HD2 LEU 695 12.630 -3.684 8.041 421 3HD2 LEU 695 3HD2 LEU 695 11.174 -2.720 7.787 422 H LEU 696 H LEU 696 7.606 -6.854 5.257 423 HA LEU 696 HA LEU 696 8.933 -9.381 4.578 424 1HB LEU 696 1HB LEU 696 6.022 -8.633 4.767 425 2HB LEU 696 2HB LEU 696 6.600 -10.199 4.201 426 HG LEU 696 HG LEU 696 7.090 -9.079 6.960 427 1HD1 LEU 696 1HD1 LEU 696 5.287 -11.382 6.387 428 2HD1 LEU 696 2HD1 LEU 696 4.677 -9.738 6.203 429 3HD1 LEU 696 3HD1 LEU 696 5.304 -10.277 7.761 430 1HD2 LEU 696 1HD2 LEU 696 8.174 -11.317 5.484 431 2HD2 LEU 696 2HD2 LEU 696 7.354 -11.844 6.954 432 3HD2 LEU 696 3HD2 LEU 696 8.656 -10.657 7.047 433 H LEU 697 H LEU 697 6.771 -6.937 3.164 434 HA LEU 697 HA LEU 697 7.121 -8.017 0.507 435 1HB LEU 697 1HB LEU 697 5.614 -5.710 1.676 436 2HB LEU 697 2HB LEU 697 5.848 -5.830 -0.067 437 HG LEU 697 HG LEU 697 4.555 -8.005 1.565 438 1HD1 LEU 697 1HD1 LEU 697 3.464 -5.582 1.449 439 2HD1 LEU 697 2HD1 LEU 697 2.504 -7.059 1.364 440 3HD1 LEU 697 3HD1 LEU 697 2.923 -6.193 -0.115 441 1HD2 LEU 697 1HD2 LEU 697 5.087 -7.503 -1.306 442 2HD2 LEU 697 2HD2 LEU 697 3.540 -8.239 -0.887 443 3HD2 LEU 697 3HD2 LEU 697 5.048 -9.019 -0.406 444 H ASN 698 H ASN 698 8.183 -7.023 -1.211 445 HA ASN 698 HA ASN 698 10.645 -5.891 -0.753 446 1HB ASN 698 1HB ASN 698 8.837 -6.042 -3.110 447 2HB ASN 698 2HB ASN 698 10.186 -4.913 -3.203 448 1HD2 ASN 698 1HD2 ASN 698 11.445 -5.946 -4.641 449 2HD2 ASN 698 2HD2 ASN 698 12.132 -7.512 -4.390 450 HA PRO 699 HA PRO 699 10.152 -1.625 0.142 451 1HB PRO 699 1HB PRO 699 12.141 -0.476 -1.305 452 2HB PRO 699 2HB PRO 699 12.443 -1.449 0.139 453 1HG PRO 699 1HG PRO 699 12.630 -2.230 -2.745 454 2HG PRO 699 2HG PRO 699 13.733 -2.610 -1.410 455 1HD PRO 699 1HD PRO 699 11.904 -4.378 -2.337 456 2HD PRO 699 2HD PRO 699 12.404 -4.326 -0.634 457 H LYS 700 H LYS 700 10.411 -2.412 -3.294 458 HA LYS 700 HA LYS 700 9.348 0.067 -4.218 459 1HB LYS 700 1HB LYS 700 10.010 -2.570 -5.436 460 2HB LYS 700 2HB LYS 700 8.908 -1.518 -6.316 461 1HG LYS 700 1HG LYS 700 10.956 -0.939 -7.194 462 2HG LYS 700 2HG LYS 700 10.725 0.288 -5.946 463 1HD LYS 700 1HD LYS 700 12.141 -0.957 -4.420 464 2HD LYS 700 2HD LYS 700 12.312 -2.257 -5.602 465 1HE LYS 700 1HE LYS 700 13.587 -0.908 -7.051 466 2HE LYS 700 2HE LYS 700 13.132 0.570 -6.207 467 1HZ LYS 700 1HZ LYS 700 15.324 0.076 -5.557 468 2HZ LYS 700 2HZ LYS 700 14.974 -1.555 -5.279 469 3HZ LYS 700 3HZ LYS 700 14.357 -0.369 -4.243 470 H GLU 701 H GLU 701 7.977 -3.168 -3.717 471 HA GLU 701 HA GLU 701 5.410 -2.659 -4.690 472 1HB GLU 701 1HB GLU 701 6.462 -4.585 -2.632 473 2HB GLU 701 2HB GLU 701 4.751 -4.517 -3.029 474 1HG GLU 701 1HG GLU 701 6.968 -5.053 -4.992 475 2HG GLU 701 2HG GLU 701 5.938 -6.277 -4.253 476 H ARG 702 H ARG 702 6.637 -2.446 -1.354 477 HA ARG 702 HA ARG 702 4.498 -1.802 0.110 478 1HB ARG 702 1HB ARG 702 7.195 -0.459 0.098 479 2HB ARG 702 2HB ARG 702 5.968 -0.079 1.299 480 1HG ARG 702 1HG ARG 702 6.031 -2.251 2.202 481 2HG ARG 702 2HG ARG 702 6.934 -2.880 0.823 482 1HD ARG 702 1HD ARG 702 8.730 -1.148 1.541 483 2HD ARG 702 2HD ARG 702 7.877 -1.163 3.084 484 HE ARG 702 HE ARG 702 8.422 -3.806 2.276 485 1HH1 ARG 702 2HH1 ARG 702 10.022 -0.954 3.471 486 2HH1 ARG 702 1HH1 ARG 702 11.303 -1.835 4.237 487 1HH2 ARG 702 2HH2 ARG 702 10.103 -4.977 3.280 488 2HH2 ARG 702 1HH2 ARG 702 11.348 -4.123 4.127 489 H LYS 703 H LYS 703 6.192 0.537 -1.967 490 HA LYS 703 HA LYS 703 4.348 2.650 -1.458 491 1HB LYS 703 1HB LYS 703 6.790 2.781 -2.310 492 2HB LYS 703 2HB LYS 703 6.096 2.484 -3.898 493 1HG LYS 703 1HG LYS 703 6.109 4.753 -3.915 494 2HG LYS 703 2HG LYS 703 4.522 4.485 -3.190 495 1HD LYS 703 1HD LYS 703 5.319 4.955 -1.023 496 2HD LYS 703 2HD LYS 703 7.005 4.814 -1.527 497 1HE LYS 703 1HE LYS 703 6.648 7.117 -1.330 498 2HE LYS 703 2HE LYS 703 6.522 6.803 -3.060 499 1HZ LYS 703 1HZ LYS 703 4.710 8.152 -2.604 500 2HZ LYS 703 2HZ LYS 703 4.366 7.391 -1.133 501 3HZ LYS 703 3HZ LYS 703 4.030 6.603 -2.591 502 H GLN 704 H GLN 704 4.783 0.356 -4.129 503 HA GLN 704 HA GLN 704 2.813 1.338 -5.836 504 1HB GLN 704 1HB GLN 704 3.936 -1.422 -5.416 505 2HB GLN 704 2HB GLN 704 2.697 -1.107 -6.624 506 1HG GLN 704 1HG GLN 704 5.365 0.279 -6.512 507 2HG GLN 704 2HG GLN 704 4.994 -1.113 -7.529 508 1HE2 GLN 704 1HE2 GLN 704 5.206 2.167 -7.463 509 2HE2 GLN 704 2HE2 GLN 704 4.207 2.549 -8.819 510 H VAL 705 H VAL 705 2.498 -1.466 -3.648 511 HA VAL 705 HA VAL 705 -0.234 -1.836 -3.913 512 HB VAL 705 HB VAL 705 1.535 -2.356 -1.523 513 1HG1 VAL 705 1HG1 VAL 705 -1.287 -2.352 -1.628 514 2HG1 VAL 705 2HG1 VAL 705 -0.768 -4.038 -1.586 515 3HG1 VAL 705 3HG1 VAL 705 -0.245 -2.921 -0.325 516 1HG2 VAL 705 1HG2 VAL 705 2.319 -3.832 -3.060 517 2HG2 VAL 705 2HG2 VAL 705 0.942 -4.772 -2.487 518 3HG2 VAL 705 3HG2 VAL 705 0.815 -3.844 -3.981 519 H PHE 706 H PHE 706 1.495 0.126 -1.501 520 HA PHE 706 HA PHE 706 -0.765 1.021 -0.106 521 1HB PHE 706 1HB PHE 706 1.266 1.375 0.995 522 2HB PHE 706 2HB PHE 706 2.026 2.076 -0.430 523 HD1 PHE 706 1HD PHE 706 2.121 4.381 -0.700 524 HD2 PHE 706 2HD PHE 706 -0.596 2.712 2.120 525 HE1 PHE 706 1HE PHE 706 1.608 6.638 0.136 526 HE2 PHE 706 2HE PHE 706 -1.114 4.966 2.960 527 HZ PHE 706 HZ PHE 706 -0.012 6.932 1.967 528 H ASP 707 H ASP 707 0.850 2.260 -2.976 529 HA ASP 707 HA ASP 707 -0.406 4.740 -3.178 530 1HB ASP 707 1HB ASP 707 1.500 4.006 -4.586 531 2HB ASP 707 2HB ASP 707 0.416 2.922 -5.452 532 H GLN 708 H GLN 708 -1.381 1.622 -4.594 533 HA GLN 708 HA GLN 708 -3.736 2.540 -5.809 534 1HB GLN 708 1HB GLN 708 -2.787 -0.158 -4.901 535 2HB GLN 708 2HB GLN 708 -4.417 0.045 -5.531 536 1HG GLN 708 1HG GLN 708 -2.003 0.957 -7.057 537 2HG GLN 708 2HG GLN 708 -2.606 -0.697 -7.154 538 1HE2 GLN 708 1HE2 GLN 708 -2.806 2.371 -8.433 539 2HE2 GLN 708 2HE2 GLN 708 -4.268 2.192 -9.335 540 H TYR 709 H TYR 709 -3.123 1.254 -2.577 541 HA TYR 709 HA TYR 709 -5.805 1.089 -1.741 542 1HB TYR 709 1HB TYR 709 -4.217 -0.067 -0.429 543 2HB TYR 709 2HB TYR 709 -3.202 1.360 -0.249 544 HD1 TYR 709 1HD TYR 709 -5.845 -0.588 1.176 545 HD2 TYR 709 2HD TYR 709 -4.100 3.292 1.151 546 HE1 TYR 709 1HE TYR 709 -6.944 -0.087 3.319 547 HE2 TYR 709 2HE TYR 709 -5.192 3.804 3.294 548 HH TYR 709 HH TYR 709 -6.854 3.123 4.722 549 H VAL 710 H VAL 710 -3.430 3.701 -1.571 550 HA VAL 710 HA VAL 710 -5.012 5.476 -0.035 551 HB VAL 710 HB VAL 710 -2.770 6.089 -1.965 552 1HG1 VAL 710 1HG1 VAL 710 -4.551 7.891 -0.992 553 2HG1 VAL 710 2HG1 VAL 710 -3.308 7.926 0.260 554 3HG1 VAL 710 3HG1 VAL 710 -2.882 8.265 -1.418 555 1HG2 VAL 710 1HG2 VAL 710 -2.214 6.363 0.867 556 2HG2 VAL 710 2HG2 VAL 710 -2.689 4.718 0.442 557 3HG2 VAL 710 3HG2 VAL 710 -1.326 5.482 -0.377 558 H LYS 711 H LYS 711 -4.339 5.376 -3.535 559 HA LYS 711 HA LYS 711 -5.888 7.477 -4.378 560 1HB LYS 711 1HB LYS 711 -5.129 4.870 -5.625 561 2HB LYS 711 2HB LYS 711 -6.299 5.891 -6.450 562 1HG LYS 711 1HG LYS 711 -4.763 7.507 -6.930 563 2HG LYS 711 2HG LYS 711 -3.763 7.131 -5.525 564 1HD LYS 711 1HD LYS 711 -2.492 6.380 -7.335 565 2HD LYS 711 2HD LYS 711 -3.265 4.914 -6.726 566 1HE LYS 711 1HE LYS 711 -3.567 4.767 -9.028 567 2HE LYS 711 2HE LYS 711 -5.101 5.421 -8.456 568 1HZ LYS 711 1HZ LYS 711 -4.807 7.102 -9.844 569 2HZ LYS 711 2HZ LYS 711 -3.269 6.551 -10.281 570 3HZ LYS 711 3HZ LYS 711 -3.450 7.589 -8.958 571 H THR 712 H THR 712 -6.963 4.094 -4.055 572 HA THR 712 HA THR 712 -9.650 4.550 -4.713 573 HB THR 712 HB THR 712 -9.966 2.416 -3.190 574 HG1 THR 712 1HG THR 712 -7.642 2.857 -2.452 575 1HG2 THR 712 1HG2 THR 712 -9.541 1.063 -5.065 576 2HG2 THR 712 2HG2 THR 712 -8.251 2.118 -5.641 577 3HG2 THR 712 3HG2 THR 712 -9.931 2.644 -5.740 578 H ARG 713 H ARG 713 -7.975 4.585 -1.597 579 HA ARG 713 HA ARG 713 -10.263 4.895 0.019 580 1HB ARG 713 1HB ARG 713 -7.345 5.489 0.405 581 2HB ARG 713 2HB ARG 713 -8.520 5.952 1.629 582 1HG ARG 713 1HG ARG 713 -8.548 3.153 0.633 583 2HG ARG 713 2HG ARG 713 -7.259 3.649 1.733 584 1HD ARG 713 1HD ARG 713 -10.230 3.798 2.221 585 2HD ARG 713 2HD ARG 713 -9.075 2.728 3.014 586 HE ARG 713 HE ARG 713 -8.158 5.246 3.543 587 1HH1 ARG 713 2HH1 ARG 713 -11.158 3.553 4.045 588 2HH1 ARG 713 1HH1 ARG 713 -11.573 4.443 5.472 589 1HH2 ARG 713 2HH2 ARG 713 -8.693 6.425 5.421 590 2HH2 ARG 713 1HH2 ARG 713 -10.170 6.077 6.254 591 H ALA 714 H ALA 714 -8.458 7.116 -1.927 592 HA ALA 714 HA ALA 714 -9.446 9.492 -0.639 593 1HB ALA 714 1HB ALA 714 -8.170 9.265 -3.359 594 2HB ALA 714 2HB ALA 714 -8.299 10.705 -2.347 595 3HB ALA 714 3HB ALA 714 -7.264 9.367 -1.848 596 H GLU 715 H GLU 715 -10.169 7.725 -3.631 597 HA GLU 715 HA GLU 715 -12.155 9.523 -4.550 598 1HB GLU 715 1HB GLU 715 -12.467 8.060 -6.294 599 2HB GLU 715 2HB GLU 715 -10.859 7.582 -5.771 600 1HG GLU 715 1HG GLU 715 -11.801 5.729 -4.510 601 2HG GLU 715 2HG GLU 715 -13.425 6.218 -4.989 602 H GLU 716 H GLU 716 -12.215 6.739 -2.424 603 HA GLU 716 HA GLU 716 -15.112 6.688 -2.323 604 1HB GLU 716 1HB GLU 716 -13.376 4.701 -2.080 605 2HB GLU 716 2HB GLU 716 -13.420 5.173 -0.387 606 1HG GLU 716 1HG GLU 716 -15.989 5.019 -0.669 607 2HG GLU 716 2HG GLU 716 -15.599 4.057 -2.093 608 H GLU 717 H GLU 717 -13.381 9.000 -1.348 609 HA GLU 717 HA GLU 717 -13.177 9.403 1.287 610 1HB GLU 717 1HB GLU 717 -13.638 11.727 0.964 611 2HB GLU 717 2HB GLU 717 -12.869 11.133 -0.501 612 1HG GLU 717 1HG GLU 717 -15.222 10.857 -1.429 613 2HG GLU 717 2HG GLU 717 -15.749 11.834 -0.060 614 H ARG 718 H ARG 718 -14.414 9.487 3.070 615 HA ARG 718 HA ARG 718 -17.312 9.111 2.714 616 1HB ARG 718 1HB ARG 718 -17.322 8.004 4.872 617 2HB ARG 718 2HB ARG 718 -16.121 7.254 3.829 618 1HG ARG 718 1HG ARG 718 -14.488 8.917 5.016 619 2HG ARG 718 2HG ARG 718 -15.742 8.933 6.258 620 1HD ARG 718 1HD ARG 718 -15.629 6.421 6.253 621 2HD ARG 718 2HD ARG 718 -14.209 6.559 5.217 622 HE ARG 718 HE ARG 718 -14.014 8.086 7.641 623 1HH1 ARG 718 2HH1 ARG 718 -13.542 4.958 6.186 624 2HH1 ARG 718 1HH1 ARG 718 -12.357 4.453 7.345 625 1HH2 ARG 718 2HH2 ARG 718 -12.454 7.432 9.173 626 2HH2 ARG 718 1HH2 ARG 718 -11.739 5.861 9.043 627 H ARG 719 H ARG 719 -18.618 10.698 3.326 628 HA ARG 719 HA ARG 719 -17.912 13.196 4.109 629 1HB ARG 719 1HB ARG 719 -20.409 11.627 4.723 630 2HB ARG 719 2HB ARG 719 -20.236 13.313 5.191 631 1HG ARG 719 1HG ARG 719 -21.293 13.553 3.188 632 2HG ARG 719 2HG ARG 719 -19.611 13.614 2.657 633 1HD ARG 719 1HD ARG 719 -19.668 11.430 1.835 634 2HD ARG 719 2HD ARG 719 -21.106 11.019 2.769 635 HE ARG 719 HE ARG 719 -21.755 13.063 0.963 636 1HH1 ARG 719 2HH1 ARG 719 -20.874 9.695 0.979 637 2HH1 ARG 719 1HH1 ARG 719 -21.736 9.328 -0.479 638 1HH2 ARG 719 2HH2 ARG 719 -22.893 12.593 -0.957 639 2HH2 ARG 719 1HH2 ARG 719 -22.883 10.978 -1.580 640 H SER 720 H SER 720 -16.684 13.833 5.748 641 HA SER 720 HA SER 720 -16.388 12.322 8.150 642 1HB SER 720 1HB SER 720 -14.716 13.960 6.954 643 2HB SER 720 2HB SER 720 -15.516 15.182 7.942 644 HG SER 720 HG SER 720 -13.568 13.932 8.785 645 H GLY 721 H GLY 721 -18.008 12.204 9.572 646 1HA GLY 721 1HA GLY 721 -19.849 14.405 9.946 647 2HA GLY 721 2HA GLY 721 -19.907 12.845 10.753 648 HA PRO 722 HA PRO 722 -18.136 14.470 14.414 649 1HB PRO 722 1HB PRO 722 -16.189 12.704 15.090 650 2HB PRO 722 2HB PRO 722 -17.911 12.328 15.214 651 1HG PRO 722 1HG PRO 722 -15.962 11.591 13.065 652 2HG PRO 722 2HG PRO 722 -17.218 10.596 13.826 653 1HD PRO 722 1HD PRO 722 -17.547 11.756 11.401 654 2HD PRO 722 2HD PRO 722 -18.895 11.498 12.527 655 H SER 723 H SER 723 -16.436 14.575 11.595 656 HA SER 723 HA SER 723 -13.832 15.021 11.938 657 1HB SER 723 1HB SER 723 -13.865 16.382 10.074 658 2HB SER 723 2HB SER 723 -15.459 15.641 9.943 659 HG SER 723 HG SER 723 -15.472 17.950 9.711 660 H SER 724 H SER 724 -12.564 16.117 13.273 661 HA SER 724 HA SER 724 -13.596 18.584 14.504 662 1HB SER 724 1HB SER 724 -12.325 17.906 16.585 663 2HB SER 724 2HB SER 724 -13.749 16.930 16.228 664 HG SER 724 HG SER 724 -11.062 16.247 16.172 665 H GLY 725 H GLY 725 -11.602 19.655 15.744 666 1HA GLY 725 1HA GLY 725 -9.622 20.110 13.652 667 2HA GLY 725 2HA GLY 725 -9.869 21.096 15.085 Start of MODEL 13 1 1H GLY 644 H GLY 644 -22.430 -27.104 11.832 2 1HA GLY 644 1HA GLY 644 -20.597 -28.443 11.078 3 2HA GLY 644 2HA GLY 644 -21.460 -28.715 9.572 4 H SER 645 H SER 645 -20.477 -27.779 7.921 5 HA SER 645 HA SER 645 -19.279 -26.311 6.660 6 1HB SER 645 1HB SER 645 -21.296 -24.900 7.327 7 2HB SER 645 2HB SER 645 -20.256 -24.162 8.545 8 HG SER 645 HG SER 645 -20.134 -23.989 5.748 9 H SER 646 H SER 646 -17.754 -27.621 8.505 10 HA SER 646 HA SER 646 -15.785 -25.561 9.239 11 1HB SER 646 1HB SER 646 -16.839 -27.823 10.912 12 2HB SER 646 2HB SER 646 -15.208 -27.208 11.176 13 HG SER 646 HG SER 646 -16.301 -25.074 11.296 14 H GLY 647 H GLY 647 -13.572 -26.313 9.316 15 1HA GLY 647 1HA GLY 647 -12.594 -28.800 8.712 16 2HA GLY 647 2HA GLY 647 -12.986 -28.097 7.150 17 H SER 648 H SER 648 -10.573 -28.516 9.357 18 HA SER 648 HA SER 648 -8.749 -26.867 7.960 19 1HB SER 648 1HB SER 648 -8.282 -25.154 9.545 20 2HB SER 648 2HB SER 648 -10.035 -25.165 9.353 21 HG SER 648 HG SER 648 -9.374 -25.084 11.558 22 H SER 649 H SER 649 -6.833 -27.822 8.125 23 HA SER 649 HA SER 649 -5.802 -28.829 10.596 24 1HB SER 649 1HB SER 649 -5.698 -31.173 10.048 25 2HB SER 649 2HB SER 649 -7.378 -30.657 9.896 26 HG SER 649 HG SER 649 -6.566 -30.278 7.552 27 H GLY 650 H GLY 650 -3.644 -29.918 10.252 28 1HA GLY 650 1HA GLY 650 -1.817 -30.317 8.670 29 2HA GLY 650 2HA GLY 650 -2.353 -28.884 7.804 30 H ALA 651 H ALA 651 0.180 -29.813 9.346 31 HA ALA 651 HA ALA 651 0.605 -27.215 10.650 32 1HB ALA 651 1HB ALA 651 1.245 -29.922 11.792 33 2HB ALA 651 2HB ALA 651 1.995 -28.436 12.374 34 3HB ALA 651 3HB ALA 651 0.248 -28.647 12.493 35 H ARG 652 H ARG 652 1.769 -26.513 8.842 36 HA ARG 652 HA ARG 652 4.404 -27.790 8.529 37 1HB ARG 652 1HB ARG 652 2.577 -26.698 6.393 38 2HB ARG 652 2HB ARG 652 4.294 -26.960 6.123 39 1HG ARG 652 1HG ARG 652 4.063 -29.311 6.492 40 2HG ARG 652 2HG ARG 652 2.384 -29.112 7.000 41 1HD ARG 652 1HD ARG 652 2.169 -29.826 4.807 42 2HD ARG 652 2HD ARG 652 2.051 -28.073 4.655 43 HE ARG 652 HE ARG 652 4.733 -28.816 4.351 44 1HH1 ARG 652 2HH1 ARG 652 1.683 -29.128 2.702 45 2HH1 ARG 652 1HH1 ARG 652 2.395 -29.208 1.125 46 1HH2 ARG 652 2HH2 ARG 652 5.683 -28.921 2.280 47 2HH2 ARG 652 1HH2 ARG 652 4.670 -29.092 0.886 48 H GLU 653 H GLU 653 6.153 -26.452 8.461 49 HA GLU 653 HA GLU 653 5.630 -23.557 8.601 50 1HB GLU 653 1HB GLU 653 7.315 -25.292 10.363 51 2HB GLU 653 2HB GLU 653 7.796 -23.623 10.089 52 1HG GLU 653 1HG GLU 653 4.991 -24.164 10.899 53 2HG GLU 653 2HG GLU 653 6.262 -24.308 12.112 54 H ARG 654 H ARG 654 6.209 -23.069 6.524 55 HA ARG 654 HA ARG 654 8.967 -23.740 5.734 56 1HB ARG 654 1HB ARG 654 7.037 -24.662 4.335 57 2HB ARG 654 2HB ARG 654 6.750 -23.002 3.832 58 1HG ARG 654 1HG ARG 654 8.054 -23.954 2.136 59 2HG ARG 654 2HG ARG 654 9.170 -22.964 3.079 60 1HD ARG 654 1HD ARG 654 10.314 -24.980 2.715 61 2HD ARG 654 2HD ARG 654 9.709 -25.094 4.368 62 HE ARG 654 HE ARG 654 7.852 -26.241 2.578 63 1HH1 ARG 654 2HH1 ARG 654 10.971 -26.826 4.009 64 2HH1 ARG 654 1HH1 ARG 654 10.836 -28.550 3.916 65 1HH2 ARG 654 2HH2 ARG 654 7.661 -28.510 2.451 66 2HH2 ARG 654 1HH2 ARG 654 8.953 -29.508 3.029 67 H ALA 655 H ALA 655 10.267 -22.133 4.863 68 HA ALA 655 HA ALA 655 9.575 -19.441 5.668 69 1HB ALA 655 1HB ALA 655 11.757 -19.610 6.161 70 2HB ALA 655 2HB ALA 655 12.030 -20.890 4.978 71 3HB ALA 655 3HB ALA 655 11.997 -19.204 4.461 72 H ILE 656 H ILE 656 8.021 -20.532 3.513 73 HA ILE 656 HA ILE 656 8.827 -18.715 1.336 74 HB ILE 656 HB ILE 656 7.313 -21.315 1.070 75 1HG1 ILE 656 1HG1 ILE 656 9.989 -20.720 -0.152 76 2HG1 ILE 656 2HG1 ILE 656 9.886 -21.279 1.514 77 1HG2 ILE 656 1HG2 ILE 656 8.281 -19.445 -1.087 78 2HG2 ILE 656 2HG2 ILE 656 7.360 -20.933 -1.306 79 3HG2 ILE 656 3HG2 ILE 656 6.615 -19.543 -0.516 80 1HD1 ILE 656 1HD1 ILE 656 8.273 -23.020 0.054 81 2HD1 ILE 656 2HD1 ILE 656 9.718 -22.772 -0.928 82 3HD1 ILE 656 3HD1 ILE 656 9.867 -23.345 0.733 83 H VAL 657 H VAL 657 7.539 -17.002 1.297 84 HA VAL 657 HA VAL 657 4.693 -17.359 1.977 85 HB VAL 657 HB VAL 657 6.351 -14.839 2.165 86 1HG1 VAL 657 1HG1 VAL 657 3.460 -15.388 2.350 87 2HG1 VAL 657 2HG1 VAL 657 4.129 -14.339 3.602 88 3HG1 VAL 657 3HG1 VAL 657 4.310 -13.910 1.900 89 1HG2 VAL 657 1HG2 VAL 657 5.823 -15.163 4.648 90 2HG2 VAL 657 2HG2 VAL 657 5.432 -16.828 4.219 91 3HG2 VAL 657 3HG2 VAL 657 7.056 -16.203 3.935 92 HA PRO 658 HA PRO 658 4.004 -16.442 -2.326 93 1HB PRO 658 1HB PRO 658 1.293 -16.489 -2.192 94 2HB PRO 658 2HB PRO 658 2.279 -17.956 -2.210 95 1HG PRO 658 1HG PRO 658 1.025 -16.546 0.114 96 2HG PRO 658 2HG PRO 658 1.102 -18.284 -0.232 97 1HD PRO 658 1HD PRO 658 2.765 -17.073 1.529 98 2HD PRO 658 2HD PRO 658 3.261 -18.472 0.555 99 H LEU 659 H LEU 659 3.486 -14.644 -3.519 100 HA LEU 659 HA LEU 659 3.593 -12.137 -2.407 101 1HB LEU 659 1HB LEU 659 3.908 -12.658 -4.798 102 2HB LEU 659 2HB LEU 659 2.168 -12.887 -4.956 103 HG LEU 659 HG LEU 659 1.870 -10.490 -4.317 104 1HD1 LEU 659 1HD1 LEU 659 3.965 -9.082 -4.691 105 2HD1 LEU 659 2HD1 LEU 659 4.868 -10.572 -4.422 106 3HD1 LEU 659 3HD1 LEU 659 3.822 -9.934 -3.153 107 1HD2 LEU 659 1HD2 LEU 659 2.103 -9.763 -6.483 108 2HD2 LEU 659 2HD2 LEU 659 2.148 -11.511 -6.712 109 3HD2 LEU 659 3HD2 LEU 659 3.648 -10.583 -6.709 110 H GLU 660 H GLU 660 0.667 -13.903 -3.397 111 HA GLU 660 HA GLU 660 -1.240 -12.006 -2.789 112 1HB GLU 660 1HB GLU 660 -1.342 -15.011 -2.546 113 2HB GLU 660 2HB GLU 660 -2.752 -13.987 -2.318 114 1HG GLU 660 1HG GLU 660 -1.096 -14.042 -4.827 115 2HG GLU 660 2HG GLU 660 -2.563 -14.987 -4.581 116 H ALA 661 H ALA 661 0.390 -14.268 -0.627 117 HA ALA 661 HA ALA 661 -1.157 -13.705 1.673 118 1HB ALA 661 1HB ALA 661 1.592 -14.869 1.311 119 2HB ALA 661 2HB ALA 661 0.834 -14.678 2.893 120 3HB ALA 661 3HB ALA 661 0.086 -15.712 1.676 121 H ARG 662 H ARG 662 2.266 -12.842 1.178 122 HA ARG 662 HA ARG 662 2.564 -11.006 3.159 123 1HB ARG 662 1HB ARG 662 4.210 -9.844 1.573 124 2HB ARG 662 2HB ARG 662 4.492 -11.543 1.934 125 1HG ARG 662 1HG ARG 662 3.349 -12.117 -0.202 126 2HG ARG 662 2HG ARG 662 3.281 -10.392 -0.567 127 1HD ARG 662 1HD ARG 662 5.197 -11.136 -1.678 128 2HD ARG 662 2HD ARG 662 5.813 -10.404 -0.197 129 HE ARG 662 HE ARG 662 5.355 -13.208 0.088 130 1HH1 ARG 662 2HH1 ARG 662 7.592 -10.830 -1.120 131 2HH1 ARG 662 1HH1 ARG 662 8.974 -11.865 -0.971 132 1HH2 ARG 662 2HH2 ARG 662 7.166 -14.580 0.289 133 2HH2 ARG 662 1HH2 ARG 662 8.731 -13.997 -0.171 134 H MET 663 H MET 663 1.219 -10.403 -0.063 135 HA MET 663 HA MET 663 0.874 -7.619 0.252 136 1HB MET 663 1HB MET 663 -0.315 -9.680 -1.576 137 2HB MET 663 2HB MET 663 -0.928 -8.032 -1.583 138 1HG MET 663 1HG MET 663 1.442 -7.278 -1.980 139 2HG MET 663 2HG MET 663 1.844 -8.973 -2.247 140 1HE MET 663 1HE MET 663 1.538 -6.591 -5.562 141 2HE MET 663 2HE MET 663 0.697 -5.730 -4.273 142 3HE MET 663 3HE MET 663 2.267 -6.473 -3.960 143 H LYS 664 H LYS 664 -1.225 -10.380 0.920 144 HA LYS 664 HA LYS 664 -3.578 -8.981 1.497 145 1HB LYS 664 1HB LYS 664 -2.485 -11.656 2.267 146 2HB LYS 664 2HB LYS 664 -3.929 -11.064 3.078 147 1HG LYS 664 1HG LYS 664 -3.753 -11.109 0.091 148 2HG LYS 664 2HG LYS 664 -4.198 -12.553 1.003 149 1HD LYS 664 1HD LYS 664 -5.594 -9.916 1.384 150 2HD LYS 664 2HD LYS 664 -6.101 -11.083 0.160 151 1HE LYS 664 1HE LYS 664 -6.619 -12.712 1.796 152 2HE LYS 664 2HE LYS 664 -5.796 -11.805 3.064 153 1HZ LYS 664 1HZ LYS 664 -8.242 -11.636 3.153 154 2HZ LYS 664 2HZ LYS 664 -8.229 -10.863 1.649 155 3HZ LYS 664 3HZ LYS 664 -7.485 -10.133 2.981 156 H GLN 665 H GLN 665 -0.840 -9.851 3.560 157 HA GLN 665 HA GLN 665 -1.957 -8.953 5.991 158 1HB GLN 665 1HB GLN 665 0.956 -9.129 5.202 159 2HB GLN 665 2HB GLN 665 0.340 -8.996 6.844 160 1HG GLN 665 1HG GLN 665 -0.734 -11.157 6.647 161 2HG GLN 665 2HG GLN 665 -0.206 -11.287 4.970 162 1HE2 GLN 665 1HE2 GLN 665 0.689 -11.568 8.282 163 2HE2 GLN 665 2HE2 GLN 665 2.273 -12.207 8.025 164 H PHE 666 H PHE 666 0.610 -7.405 4.051 165 HA PHE 666 HA PHE 666 0.853 -5.020 5.281 166 1HB PHE 666 1HB PHE 666 1.961 -5.842 3.112 167 2HB PHE 666 2HB PHE 666 0.588 -5.118 2.282 168 HD1 PHE 666 1HD PHE 666 3.529 -4.428 4.382 169 HD2 PHE 666 2HD PHE 666 0.405 -2.764 2.018 170 HE1 PHE 666 1HE PHE 666 4.661 -2.244 4.429 171 HE2 PHE 666 2HE PHE 666 1.533 -0.578 2.060 172 HZ PHE 666 HZ PHE 666 3.664 -0.316 3.266 173 H LYS 667 H LYS 667 -1.527 -5.601 2.687 174 HA LYS 667 HA LYS 667 -2.838 -3.160 2.822 175 1HB LYS 667 1HB LYS 667 -3.104 -5.193 1.188 176 2HB LYS 667 2HB LYS 667 -4.380 -5.675 2.298 177 1HG LYS 667 1HG LYS 667 -5.655 -3.761 1.841 178 2HG LYS 667 2HG LYS 667 -4.295 -2.938 1.073 179 1HD LYS 667 1HD LYS 667 -5.299 -5.511 -0.066 180 2HD LYS 667 2HD LYS 667 -6.177 -4.014 -0.387 181 1HE LYS 667 1HE LYS 667 -4.397 -3.073 -1.546 182 2HE LYS 667 2HE LYS 667 -3.218 -4.160 -0.814 183 1HZ LYS 667 1HZ LYS 667 -5.310 -5.329 -2.494 184 2HZ LYS 667 2HZ LYS 667 -3.709 -5.823 -2.265 185 3HZ LYS 667 3HZ LYS 667 -4.052 -4.500 -3.262 186 H ASP 668 H ASP 668 -3.592 -6.176 4.549 187 HA ASP 668 HA ASP 668 -5.865 -5.412 5.894 188 1HB ASP 668 1HB ASP 668 -3.654 -7.316 6.471 189 2HB ASP 668 2HB ASP 668 -4.741 -6.918 7.799 190 H MET 669 H MET 669 -2.524 -4.596 6.605 191 HA MET 669 HA MET 669 -3.045 -3.431 9.154 192 1HB MET 669 1HB MET 669 -0.712 -2.553 7.521 193 2HB MET 669 2HB MET 669 -0.798 -2.947 9.233 194 1HG MET 669 1HG MET 669 -1.112 -5.356 8.513 195 2HG MET 669 2HG MET 669 -0.645 -4.824 6.899 196 1HE MET 669 1HE MET 669 2.037 -2.557 8.159 197 2HE MET 669 2HE MET 669 2.849 -3.696 7.084 198 3HE MET 669 3HE MET 669 1.227 -3.119 6.697 199 H LEU 670 H LEU 670 -2.014 -1.855 6.121 200 HA LEU 670 HA LEU 670 -2.339 0.742 6.678 201 1HB LEU 670 1HB LEU 670 -3.462 -0.515 4.181 202 2HB LEU 670 2HB LEU 670 -2.925 1.153 4.374 203 HG LEU 670 HG LEU 670 -1.121 -1.262 4.524 204 1HD1 LEU 670 1HD1 LEU 670 -0.435 -0.821 2.325 205 2HD1 LEU 670 2HD1 LEU 670 -1.263 0.735 2.287 206 3HD1 LEU 670 3HD1 LEU 670 -2.197 -0.760 2.274 207 1HD2 LEU 670 1HD2 LEU 670 0.325 0.156 5.434 208 2HD2 LEU 670 2HD2 LEU 670 -0.790 1.508 5.234 209 3HD2 LEU 670 3HD2 LEU 670 0.305 1.065 3.923 210 H LEU 671 H LEU 671 -4.976 -1.522 6.082 211 HA LEU 671 HA LEU 671 -7.026 0.473 6.221 212 1HB LEU 671 1HB LEU 671 -7.113 -1.804 5.055 213 2HB LEU 671 2HB LEU 671 -7.417 -2.472 6.657 214 HG LEU 671 HG LEU 671 -9.412 -0.882 6.756 215 1HD1 LEU 671 1HD1 LEU 671 -10.151 0.212 4.902 216 2HD1 LEU 671 2HD1 LEU 671 -9.403 -0.933 3.789 217 3HD1 LEU 671 3HD1 LEU 671 -8.415 0.283 4.598 218 1HD2 LEU 671 1HD2 LEU 671 -9.608 -2.978 4.613 219 2HD2 LEU 671 2HD2 LEU 671 -10.830 -2.484 5.785 220 3HD2 LEU 671 3HD2 LEU 671 -9.412 -3.389 6.317 221 H GLU 672 H GLU 672 -5.758 -1.979 8.448 222 HA GLU 672 HA GLU 672 -7.551 -1.304 10.564 223 1HB GLU 672 1HB GLU 672 -5.158 -3.051 10.260 224 2HB GLU 672 2HB GLU 672 -5.619 -2.573 11.888 225 1HG GLU 672 1HG GLU 672 -7.604 -3.769 9.992 226 2HG GLU 672 2HG GLU 672 -6.532 -4.774 10.966 227 H ARG 673 H ARG 673 -4.004 -0.945 10.380 228 HA ARG 673 HA ARG 673 -3.494 0.587 12.532 229 1HB ARG 673 1HB ARG 673 -2.362 0.706 9.756 230 2HB ARG 673 2HB ARG 673 -1.799 1.828 10.988 231 1HG ARG 673 1HG ARG 673 -1.794 -1.147 11.390 232 2HG ARG 673 2HG ARG 673 -0.440 -0.275 10.668 233 1HD ARG 673 1HD ARG 673 0.145 -0.394 12.913 234 2HD ARG 673 2HD ARG 673 -0.567 1.213 12.768 235 HE ARG 673 HE ARG 673 -2.267 0.548 14.151 236 1HH1 ARG 673 2HH1 ARG 673 -0.550 -2.259 13.014 237 2HH1 ARG 673 1HH1 ARG 673 -1.377 -3.354 14.071 238 1HH2 ARG 673 2HH2 ARG 673 -3.363 -0.884 15.548 239 2HH2 ARG 673 1HH2 ARG 673 -2.978 -2.571 15.512 240 H GLY 674 H GLY 674 -5.034 1.682 9.566 241 1HA GLY 674 1HA GLY 674 -6.623 3.454 9.554 242 2HA GLY 674 2HA GLY 674 -5.837 4.129 10.973 243 H VAL 675 H VAL 675 -4.011 3.045 8.206 244 HA VAL 675 HA VAL 675 -2.591 5.439 7.937 245 HB VAL 675 HB VAL 675 -2.996 3.140 6.034 246 1HG1 VAL 675 1HG1 VAL 675 -2.288 4.429 4.364 247 2HG1 VAL 675 2HG1 VAL 675 -1.969 5.779 5.455 248 3HG1 VAL 675 3HG1 VAL 675 -0.741 4.539 5.202 249 1HG2 VAL 675 1HG2 VAL 675 -0.922 3.964 8.011 250 2HG2 VAL 675 2HG2 VAL 675 -1.632 2.376 7.720 251 3HG2 VAL 675 3HG2 VAL 675 -0.436 3.028 6.598 252 H SER 676 H SER 676 -3.968 7.203 7.788 253 HA SER 676 HA SER 676 -6.189 7.543 6.213 254 1HB SER 676 1HB SER 676 -4.057 9.576 6.905 255 2HB SER 676 2HB SER 676 -5.632 9.982 6.224 256 HG SER 676 HG SER 676 -6.333 8.580 8.178 257 H ALA 677 H ALA 677 -6.570 8.456 4.154 258 HA ALA 677 HA ALA 677 -4.607 7.668 2.176 259 1HB ALA 677 1HB ALA 677 -6.322 7.988 0.557 260 2HB ALA 677 2HB ALA 677 -7.057 7.194 1.951 261 3HB ALA 677 3HB ALA 677 -7.301 8.921 1.690 262 H PHE 678 H PHE 678 -6.303 10.653 3.106 263 HA PHE 678 HA PHE 678 -5.144 12.369 1.250 264 1HB PHE 678 1HB PHE 678 -5.986 13.003 4.086 265 2HB PHE 678 2HB PHE 678 -5.725 14.184 2.807 266 HD1 PHE 678 1HD PHE 678 -7.280 14.333 0.920 267 HD2 PHE 678 2HD PHE 678 -7.978 11.696 4.187 268 HE1 PHE 678 1HE PHE 678 -9.630 14.102 0.227 269 HE2 PHE 678 2HE PHE 678 -10.329 11.460 3.498 270 HZ PHE 678 HZ PHE 678 -11.157 12.663 1.516 271 H SER 679 H SER 679 -3.883 11.085 4.240 272 HA SER 679 HA SER 679 -1.776 12.878 4.671 273 1HB SER 679 1HB SER 679 -2.338 10.056 5.470 274 2HB SER 679 2HB SER 679 -0.707 10.681 5.709 275 HG SER 679 HG SER 679 -1.409 11.932 7.261 276 H THR 680 H THR 680 0.603 11.800 4.651 277 HA THR 680 HA THR 680 1.119 11.239 1.812 278 HB THR 680 HB THR 680 2.186 13.266 2.855 279 HG1 THR 680 1HG THR 680 3.239 12.604 1.072 280 1HG2 THR 680 1HG2 THR 680 3.684 11.143 4.389 281 2HG2 THR 680 2HG2 THR 680 2.707 12.454 5.049 282 3HG2 THR 680 3HG2 THR 680 4.228 12.813 4.233 283 H TRP 681 H TRP 681 3.479 10.103 1.708 284 HA TRP 681 HA TRP 681 3.014 7.473 2.812 285 1HB TRP 681 1HB TRP 681 3.753 7.450 0.569 286 2HB TRP 681 2HB TRP 681 5.039 8.609 0.894 287 HD1 TRP 681 HD TRP 681 7.376 7.623 1.313 288 HE1 TRP 681 1HE TRP 681 8.319 5.266 1.736 289 HE3 TRP 681 3HE TRP 681 2.977 5.061 1.779 290 HZ2 TRP 681 2HZ TRP 681 7.329 2.664 2.205 291 HZ3 TRP 681 3HZ TRP 681 3.062 2.641 2.214 292 HH2 TRP 681 HH TRP 681 5.194 1.469 2.421 293 H GLU 682 H GLU 682 5.116 10.190 3.390 294 HA GLU 682 HA GLU 682 7.136 8.918 4.859 295 1HB GLU 682 1HB GLU 682 6.056 11.720 4.824 296 2HB GLU 682 2HB GLU 682 7.293 11.256 5.984 297 1HG GLU 682 1HG GLU 682 8.725 10.534 4.099 298 2HG GLU 682 2HG GLU 682 7.503 11.144 2.985 299 H LYS 683 H LYS 683 4.357 10.766 6.126 300 HA LYS 683 HA LYS 683 4.670 10.113 8.801 301 1HB LYS 683 1HB LYS 683 2.367 10.968 7.114 302 2HB LYS 683 2HB LYS 683 2.020 10.364 8.729 303 1HG LYS 683 1HG LYS 683 3.040 12.132 9.763 304 2HG LYS 683 2HG LYS 683 4.124 12.442 8.404 305 1HD LYS 683 1HD LYS 683 2.587 14.228 8.402 306 2HD LYS 683 2HD LYS 683 2.053 13.150 7.110 307 1HE LYS 683 1HE LYS 683 0.402 12.167 8.652 308 2HE LYS 683 2HE LYS 683 0.914 13.302 9.900 309 1HZ LYS 683 1HZ LYS 683 0.140 15.120 8.600 310 2HZ LYS 683 2HZ LYS 683 -1.109 13.982 8.664 311 3HZ LYS 683 3HZ LYS 683 -0.170 14.129 7.265 312 H GLU 684 H GLU 684 2.415 8.562 6.506 313 HA GLU 684 HA GLU 684 1.587 6.501 8.180 314 1HB GLU 684 1HB GLU 684 1.895 6.329 5.179 315 2HB GLU 684 2HB GLU 684 0.823 5.365 6.185 316 1HG GLU 684 1HG GLU 684 0.620 8.352 5.898 317 2HG GLU 684 2HG GLU 684 -0.292 7.199 4.925 318 H LEU 685 H LEU 685 4.323 6.638 5.941 319 HA LEU 685 HA LEU 685 5.190 4.038 5.974 320 1HB LEU 685 1HB LEU 685 6.381 5.447 4.582 321 2HB LEU 685 2HB LEU 685 6.624 6.654 5.843 322 HG LEU 685 HG LEU 685 8.165 4.893 6.928 323 1HD1 LEU 685 1HD1 LEU 685 8.175 3.874 4.092 324 2HD1 LEU 685 2HD1 LEU 685 7.435 3.042 5.459 325 3HD1 LEU 685 3HD1 LEU 685 9.178 3.309 5.427 326 1HD2 LEU 685 1HD2 LEU 685 9.655 5.632 4.606 327 2HD2 LEU 685 2HD2 LEU 685 9.719 6.313 6.232 328 3HD2 LEU 685 3HD2 LEU 685 8.577 6.955 5.050 329 H HIS 686 H HIS 686 6.188 6.580 8.270 330 HA HIS 686 HA HIS 686 7.678 4.872 9.942 331 1HB HIS 686 1HB HIS 686 7.950 6.701 11.337 332 2HB HIS 686 2HB HIS 686 7.585 7.486 9.803 333 HD1 HIS 686 1HD HIS 686 5.915 9.285 10.006 334 HD2 HIS 686 2HD HIS 686 5.374 6.357 12.904 335 HE1 HIS 686 1HE HIS 686 3.990 10.081 11.416 336 H LYS 687 H LYS 687 4.282 5.706 9.837 337 HA LYS 687 HA LYS 687 3.568 4.711 12.386 338 1HB LYS 687 1HB LYS 687 2.013 5.212 9.857 339 2HB LYS 687 2HB LYS 687 1.249 4.539 11.291 340 1HG LYS 687 1HG LYS 687 2.043 6.541 12.556 341 2HG LYS 687 2HG LYS 687 2.576 7.224 11.018 342 1HD LYS 687 1HD LYS 687 0.296 7.127 10.167 343 2HD LYS 687 2HD LYS 687 -0.250 6.389 11.675 344 1HE LYS 687 1HE LYS 687 1.196 8.984 11.819 345 2HE LYS 687 2HE LYS 687 -0.466 8.991 11.231 346 1HZ LYS 687 1HZ LYS 687 -0.984 7.661 13.314 347 2HZ LYS 687 2HZ LYS 687 -0.635 9.303 13.522 348 3HZ LYS 687 3HZ LYS 687 0.539 8.138 13.877 349 H ILE 688 H ILE 688 4.283 3.175 9.386 350 HA ILE 688 HA ILE 688 3.385 0.598 10.503 351 HB ILE 688 HB ILE 688 3.092 -0.233 8.230 352 1HG1 ILE 688 1HG1 ILE 688 3.500 2.568 7.204 353 2HG1 ILE 688 2HG1 ILE 688 4.840 1.430 7.308 354 1HG2 ILE 688 1HG2 ILE 688 1.574 2.015 9.330 355 2HG2 ILE 688 2HG2 ILE 688 1.329 1.749 7.605 356 3HG2 ILE 688 3HG2 ILE 688 1.020 0.444 8.750 357 1HD1 ILE 688 1HD1 ILE 688 3.878 1.479 5.078 358 2HD1 ILE 688 2HD1 ILE 688 3.657 -0.101 5.830 359 3HD1 ILE 688 3HD1 ILE 688 2.306 1.028 5.736 360 H VAL 689 H VAL 689 6.039 2.355 10.130 361 HA VAL 689 HA VAL 689 7.819 0.560 8.803 362 HB VAL 689 HB VAL 689 8.142 3.077 9.176 363 1HG1 VAL 689 1HG1 VAL 689 7.828 2.624 11.749 364 2HG1 VAL 689 2HG1 VAL 689 9.567 2.333 11.682 365 3HG1 VAL 689 3HG1 VAL 689 8.913 3.890 11.174 366 1HG2 VAL 689 1HG2 VAL 689 10.729 2.411 9.792 367 2HG2 VAL 689 2HG2 VAL 689 10.084 0.895 9.163 368 3HG2 VAL 689 3HG2 VAL 689 10.015 2.357 8.180 369 H PHE 690 H PHE 690 6.599 0.851 12.028 370 HA PHE 690 HA PHE 690 8.677 -0.670 13.287 371 1HB PHE 690 1HB PHE 690 7.441 -0.455 15.272 372 2HB PHE 690 2HB PHE 690 7.077 1.023 14.387 373 HD1 PHE 690 1HD PHE 690 5.772 -2.209 15.514 374 HD2 PHE 690 2HD PHE 690 4.879 1.443 13.519 375 HE1 PHE 690 1HE PHE 690 3.368 -2.703 15.692 376 HE2 PHE 690 2HE PHE 690 2.474 0.956 13.694 377 HZ PHE 690 HZ PHE 690 1.715 -1.119 14.782 378 H ASP 691 H ASP 691 5.293 -1.362 12.419 379 HA ASP 691 HA ASP 691 4.925 -3.891 13.225 380 1HB ASP 691 1HB ASP 691 3.440 -2.440 11.699 381 2HB ASP 691 2HB ASP 691 4.305 -3.195 10.362 382 HA PRO 692 HA PRO 692 8.133 -6.414 11.565 383 1HB PRO 692 1HB PRO 692 6.939 -8.833 11.869 384 2HB PRO 692 2HB PRO 692 7.599 -7.911 13.225 385 1HG PRO 692 1HG PRO 692 4.764 -8.136 12.290 386 2HG PRO 692 2HG PRO 692 5.403 -8.171 13.943 387 1HD PRO 692 1HD PRO 692 4.273 -5.960 12.864 388 2HD PRO 692 2HD PRO 692 5.587 -5.876 14.055 389 H ARG 693 H ARG 693 4.808 -6.887 10.437 390 HA ARG 693 HA ARG 693 5.427 -8.413 8.152 391 1HB ARG 693 1HB ARG 693 3.083 -6.560 8.619 392 2HB ARG 693 2HB ARG 693 3.182 -7.789 7.365 393 1HG ARG 693 1HG ARG 693 3.075 -9.542 8.925 394 2HG ARG 693 2HG ARG 693 3.407 -8.462 10.280 395 1HD ARG 693 1HD ARG 693 0.973 -8.086 8.575 396 2HD ARG 693 2HD ARG 693 0.984 -9.269 9.883 397 HE ARG 693 HE ARG 693 1.891 -6.759 10.817 398 1HH1 ARG 693 2HH1 ARG 693 -1.000 -8.436 9.841 399 2HH1 ARG 693 1HH1 ARG 693 -2.047 -7.480 10.837 400 1HH2 ARG 693 2HH2 ARG 693 0.522 -5.493 12.132 401 2HH2 ARG 693 1HH2 ARG 693 -1.181 -5.806 12.138 402 H TYR 694 H TYR 694 5.827 -5.088 8.847 403 HA TYR 694 HA TYR 694 5.636 -4.017 6.239 404 1HB TYR 694 1HB TYR 694 5.559 -2.463 8.015 405 2HB TYR 694 2HB TYR 694 7.026 -3.101 8.749 406 HD1 TYR 694 1HD TYR 694 9.215 -2.464 7.918 407 HD2 TYR 694 2HD TYR 694 5.673 -0.947 6.113 408 HE1 TYR 694 1HE TYR 694 10.546 -0.754 6.755 409 HE2 TYR 694 2HE TYR 694 6.995 0.766 4.945 410 HH TYR 694 HH TYR 694 10.440 0.696 4.871 411 H LEU 695 H LEU 695 7.932 -6.054 7.675 412 HA LEU 695 HA LEU 695 10.028 -5.278 5.776 413 1HB LEU 695 1HB LEU 695 10.230 -7.276 8.017 414 2HB LEU 695 2HB LEU 695 11.549 -6.543 7.107 415 HG LEU 695 HG LEU 695 9.722 -4.923 8.861 416 1HD1 LEU 695 1HD1 LEU 695 10.983 -5.313 10.724 417 2HD1 LEU 695 2HD1 LEU 695 12.410 -5.778 9.800 418 3HD1 LEU 695 3HD1 LEU 695 11.062 -6.903 9.964 419 1HD2 LEU 695 1HD2 LEU 695 11.276 -3.229 8.636 420 2HD2 LEU 695 2HD2 LEU 695 11.302 -3.966 7.034 421 3HD2 LEU 695 3HD2 LEU 695 12.576 -4.337 8.196 422 H LEU 696 H LEU 696 7.434 -7.190 5.733 423 HA LEU 696 HA LEU 696 8.621 -9.603 4.673 424 1HB LEU 696 1HB LEU 696 5.764 -8.677 4.895 425 2HB LEU 696 2HB LEU 696 6.245 -10.241 4.241 426 HG LEU 696 HG LEU 696 6.879 -9.358 7.050 427 1HD1 LEU 696 1HD1 LEU 696 4.996 -10.678 7.788 428 2HD1 LEU 696 2HD1 LEU 696 4.587 -11.081 6.121 429 3HD1 LEU 696 3HD1 LEU 696 4.443 -9.417 6.686 430 1HD2 LEU 696 1HD2 LEU 696 7.183 -11.782 7.393 431 2HD2 LEU 696 2HD2 LEU 696 8.312 -11.115 6.213 432 3HD2 LEU 696 3HD2 LEU 696 6.911 -12.040 5.670 433 H LEU 697 H LEU 697 6.608 -6.955 3.409 434 HA LEU 697 HA LEU 697 6.952 -7.874 0.689 435 1HB LEU 697 1HB LEU 697 5.496 -5.608 1.991 436 2HB LEU 697 2HB LEU 697 5.754 -5.615 0.247 437 HG LEU 697 HG LEU 697 4.348 -7.827 1.735 438 1HD1 LEU 697 1HD1 LEU 697 3.320 -5.406 1.713 439 2HD1 LEU 697 2HD1 LEU 697 2.320 -6.826 1.408 440 3HD1 LEU 697 3HD1 LEU 697 2.894 -5.846 0.059 441 1HD2 LEU 697 1HD2 LEU 697 3.535 -8.412 -0.503 442 2HD2 LEU 697 2HD2 LEU 697 5.294 -8.482 -0.406 443 3HD2 LEU 697 3HD2 LEU 697 4.508 -7.112 -1.191 444 H ASN 698 H ASN 698 8.134 -6.876 -0.917 445 HA ASN 698 HA ASN 698 10.585 -5.771 -0.292 446 1HB ASN 698 1HB ASN 698 8.934 -5.934 -2.757 447 2HB ASN 698 2HB ASN 698 10.269 -4.786 -2.769 448 1HD2 ASN 698 1HD2 ASN 698 9.354 -7.991 -3.172 449 2HD2 ASN 698 2HD2 ASN 698 10.929 -8.698 -3.245 450 HA PRO 699 HA PRO 699 10.052 -1.500 0.560 451 1HB PRO 699 1HB PRO 699 12.115 -0.354 -0.782 452 2HB PRO 699 2HB PRO 699 12.340 -1.325 0.677 453 1HG PRO 699 1HG PRO 699 12.679 -2.110 -2.192 454 2HG PRO 699 2HG PRO 699 13.709 -2.488 -0.799 455 1HD PRO 699 1HD PRO 699 11.932 -4.258 -1.819 456 2HD PRO 699 2HD PRO 699 12.341 -4.203 -0.093 457 H LYS 700 H LYS 700 10.525 -2.270 -2.862 458 HA LYS 700 HA LYS 700 9.483 0.203 -3.830 459 1HB LYS 700 1HB LYS 700 10.059 -2.461 -5.105 460 2HB LYS 700 2HB LYS 700 9.287 -1.164 -6.007 461 1HG LYS 700 1HG LYS 700 11.234 0.286 -5.466 462 2HG LYS 700 2HG LYS 700 12.014 -1.118 -4.734 463 1HD LYS 700 1HD LYS 700 11.571 -2.260 -7.009 464 2HD LYS 700 2HD LYS 700 11.335 -0.618 -7.612 465 1HE LYS 700 1HE LYS 700 13.769 -1.238 -6.006 466 2HE LYS 700 2HE LYS 700 13.699 -1.764 -7.687 467 1HZ LYS 700 1HZ LYS 700 12.836 0.898 -7.549 468 2HZ LYS 700 2HZ LYS 700 14.211 0.280 -8.315 469 3HZ LYS 700 3HZ LYS 700 14.296 0.780 -6.702 470 H GLU 701 H GLU 701 8.138 -3.066 -3.483 471 HA GLU 701 HA GLU 701 5.621 -2.550 -4.589 472 1HB GLU 701 1HB GLU 701 6.284 -4.493 -2.369 473 2HB GLU 701 2HB GLU 701 4.869 -4.550 -3.412 474 1HG GLU 701 1HG GLU 701 7.611 -4.649 -4.591 475 2HG GLU 701 2HG GLU 701 6.882 -6.096 -3.898 476 H ARG 702 H ARG 702 6.649 -2.488 -1.180 477 HA ARG 702 HA ARG 702 4.370 -1.899 0.133 478 1HB ARG 702 1HB ARG 702 7.145 -0.812 0.482 479 2HB ARG 702 2HB ARG 702 5.843 -0.275 1.534 480 1HG ARG 702 1HG ARG 702 5.471 -2.517 2.310 481 2HG ARG 702 2HG ARG 702 6.638 -3.152 1.148 482 1HD ARG 702 1HD ARG 702 7.548 -1.055 3.048 483 2HD ARG 702 2HD ARG 702 7.285 -2.682 3.674 484 HE ARG 702 HE ARG 702 8.851 -2.767 1.318 485 1HH1 ARG 702 2HH1 ARG 702 9.016 -1.940 4.696 486 2HH1 ARG 702 1HH1 ARG 702 10.712 -2.269 4.828 487 1HH2 ARG 702 2HH2 ARG 702 11.084 -3.203 1.479 488 2HH2 ARG 702 1HH2 ARG 702 11.888 -2.987 2.997 489 H LYS 703 H LYS 703 6.338 0.465 -1.643 490 HA LYS 703 HA LYS 703 4.653 2.680 -1.096 491 1HB LYS 703 1HB LYS 703 6.914 3.111 -1.732 492 2HB LYS 703 2HB LYS 703 6.742 2.181 -3.215 493 1HG LYS 703 1HG LYS 703 6.708 4.440 -3.859 494 2HG LYS 703 2HG LYS 703 5.032 3.893 -3.941 495 1HD LYS 703 1HD LYS 703 4.648 4.869 -1.698 496 2HD LYS 703 2HD LYS 703 6.301 5.490 -1.716 497 1HE LYS 703 1HE LYS 703 5.825 6.911 -3.570 498 2HE LYS 703 2HE LYS 703 4.256 6.150 -3.827 499 1HZ LYS 703 1HZ LYS 703 4.375 7.110 -1.193 500 2HZ LYS 703 2HZ LYS 703 3.352 7.603 -2.447 501 3HZ LYS 703 3HZ LYS 703 4.850 8.358 -2.232 502 H GLN 704 H GLN 704 4.938 0.498 -3.882 503 HA GLN 704 HA GLN 704 3.051 1.719 -5.533 504 1HB GLN 704 1HB GLN 704 4.207 -1.014 -5.314 505 2HB GLN 704 2HB GLN 704 2.755 -0.823 -6.288 506 1HG GLN 704 1HG GLN 704 5.318 0.710 -6.663 507 2HG GLN 704 2HG GLN 704 4.804 -0.678 -7.619 508 1HE2 GLN 704 1HE2 GLN 704 4.625 2.682 -7.208 509 2HE2 GLN 704 2HE2 GLN 704 3.482 3.017 -8.459 510 H VAL 705 H VAL 705 2.566 -1.118 -3.422 511 HA VAL 705 HA VAL 705 -0.180 -1.357 -3.746 512 HB VAL 705 HB VAL 705 1.468 -1.991 -1.294 513 1HG1 VAL 705 1HG1 VAL 705 -1.180 -3.214 -2.003 514 2HG1 VAL 705 2HG1 VAL 705 -0.313 -3.268 -0.467 515 3HG1 VAL 705 3HG1 VAL 705 -1.064 -1.765 -1.005 516 1HG2 VAL 705 1HG2 VAL 705 2.328 -3.256 -3.077 517 2HG2 VAL 705 2HG2 VAL 705 1.217 -4.345 -2.245 518 3HG2 VAL 705 3HG2 VAL 705 0.725 -3.561 -3.746 519 H PHE 706 H PHE 706 1.662 0.700 -1.558 520 HA PHE 706 HA PHE 706 -0.557 1.596 -0.032 521 1HB PHE 706 1HB PHE 706 1.522 1.896 1.008 522 2HB PHE 706 2HB PHE 706 2.247 2.597 -0.436 523 HD1 PHE 706 1HD PHE 706 1.954 4.925 -0.972 524 HD2 PHE 706 2HD PHE 706 0.122 3.227 2.474 525 HE1 PHE 706 1HE PHE 706 1.495 7.183 -0.108 526 HE2 PHE 706 2HE PHE 706 -0.341 5.482 3.343 527 HZ PHE 706 HZ PHE 706 0.345 7.463 2.051 528 H ASP 707 H ASP 707 0.910 2.638 -3.027 529 HA ASP 707 HA ASP 707 -0.352 5.175 -3.179 530 1HB ASP 707 1HB ASP 707 1.652 4.553 -4.502 531 2HB ASP 707 2HB ASP 707 0.662 3.436 -5.438 532 H GLN 708 H GLN 708 -1.144 2.003 -4.568 533 HA GLN 708 HA GLN 708 -3.499 2.875 -5.883 534 1HB GLN 708 1HB GLN 708 -3.794 0.676 -6.511 535 2HB GLN 708 2HB GLN 708 -2.065 0.703 -6.193 536 1HG GLN 708 1HG GLN 708 -2.753 -0.051 -3.809 537 2HG GLN 708 2HG GLN 708 -4.263 -0.518 -4.588 538 1HE2 GLN 708 1HE2 GLN 708 -3.841 -2.695 -4.114 539 2HE2 GLN 708 2HE2 GLN 708 -2.688 -3.609 -5.020 540 H TYR 709 H TYR 709 -2.852 1.543 -2.692 541 HA TYR 709 HA TYR 709 -5.541 1.099 -1.945 542 1HB TYR 709 1HB TYR 709 -3.955 -0.010 -0.624 543 2HB TYR 709 2HB TYR 709 -2.979 1.440 -0.411 544 HD1 TYR 709 1HD TYR 709 -5.675 -0.561 0.904 545 HD2 TYR 709 2HD TYR 709 -3.819 3.262 1.101 546 HE1 TYR 709 1HE TYR 709 -6.784 -0.140 3.058 547 HE2 TYR 709 2HE TYR 709 -4.922 3.694 3.256 548 HH TYR 709 HH TYR 709 -6.805 2.963 4.538 549 H VAL 710 H VAL 710 -3.373 3.867 -1.583 550 HA VAL 710 HA VAL 710 -5.094 5.442 0.008 551 HB VAL 710 HB VAL 710 -2.848 6.229 -1.846 552 1HG1 VAL 710 1HG1 VAL 710 -4.222 7.973 0.193 553 2HG1 VAL 710 2HG1 VAL 710 -2.914 8.432 -0.899 554 3HG1 VAL 710 3HG1 VAL 710 -4.512 8.056 -1.544 555 1HG2 VAL 710 1HG2 VAL 710 -2.862 5.022 0.674 556 2HG2 VAL 710 2HG2 VAL 710 -1.484 5.742 -0.158 557 3HG2 VAL 710 3HG2 VAL 710 -2.441 6.710 0.963 558 H LYS 711 H LYS 711 -4.559 5.310 -3.498 559 HA LYS 711 HA LYS 711 -6.252 7.399 -4.241 560 1HB LYS 711 1HB LYS 711 -4.598 5.953 -5.647 561 2HB LYS 711 2HB LYS 711 -5.997 4.921 -5.913 562 1HG LYS 711 1HG LYS 711 -7.092 6.493 -7.175 563 2HG LYS 711 2HG LYS 711 -6.236 7.845 -6.430 564 1HD LYS 711 1HD LYS 711 -4.784 5.839 -8.122 565 2HD LYS 711 2HD LYS 711 -5.645 7.194 -8.855 566 1HE LYS 711 1HE LYS 711 -3.632 7.582 -6.659 567 2HE LYS 711 2HE LYS 711 -3.158 7.503 -8.355 568 1HZ LYS 711 1HZ LYS 711 -5.096 9.440 -7.209 569 2HZ LYS 711 2HZ LYS 711 -4.590 9.378 -8.821 570 3HZ LYS 711 3HZ LYS 711 -3.487 9.785 -7.604 571 H THR 712 H THR 712 -6.961 3.917 -4.011 572 HA THR 712 HA THR 712 -9.674 4.088 -4.704 573 HB THR 712 HB THR 712 -9.838 1.902 -3.325 574 HG1 THR 712 1HG THR 712 -7.860 2.397 -2.129 575 1HG2 THR 712 1HG2 THR 712 -9.324 0.772 -5.220 576 2HG2 THR 712 2HG2 THR 712 -7.745 1.542 -5.377 577 3HG2 THR 712 3HG2 THR 712 -9.198 2.395 -5.897 578 H ARG 713 H ARG 713 -8.034 4.367 -1.595 579 HA ARG 713 HA ARG 713 -10.344 4.348 0.026 580 1HB ARG 713 1HB ARG 713 -7.557 5.411 0.424 581 2HB ARG 713 2HB ARG 713 -8.797 5.597 1.656 582 1HG ARG 713 1HG ARG 713 -8.315 2.882 0.555 583 2HG ARG 713 2HG ARG 713 -7.126 3.563 1.666 584 1HD ARG 713 1HD ARG 713 -8.546 2.488 3.124 585 2HD ARG 713 2HD ARG 713 -9.222 4.117 3.117 586 HE ARG 713 HE ARG 713 -11.136 3.231 2.269 587 1HH1 ARG 713 2HH1 ARG 713 -8.501 1.097 1.481 588 2HH1 ARG 713 1HH1 ARG 713 -9.517 -0.094 0.737 589 1HH2 ARG 713 2HH2 ARG 713 -12.483 1.671 1.292 590 2HH2 ARG 713 1HH2 ARG 713 -11.781 0.234 0.630 591 H ALA 714 H ALA 714 -8.692 6.881 -1.743 592 HA ALA 714 HA ALA 714 -10.167 9.028 -0.533 593 1HB ALA 714 1HB ALA 714 -8.110 8.763 -2.635 594 2HB ALA 714 2HB ALA 714 -9.184 10.157 -2.758 595 3HB ALA 714 3HB ALA 714 -8.229 9.906 -1.297 596 H GLU 715 H GLU 715 -10.241 7.410 -3.704 597 HA GLU 715 HA GLU 715 -12.331 8.881 -4.824 598 1HB GLU 715 1HB GLU 715 -12.306 7.354 -6.538 599 2HB GLU 715 2HB GLU 715 -10.732 7.035 -5.821 600 1HG GLU 715 1HG GLU 715 -11.689 5.153 -4.579 601 2HG GLU 715 2HG GLU 715 -13.252 5.463 -5.333 602 H GLU 716 H GLU 716 -12.411 5.906 -2.897 603 HA GLU 716 HA GLU 716 -15.303 5.817 -2.961 604 1HB GLU 716 1HB GLU 716 -13.128 4.070 -1.947 605 2HB GLU 716 2HB GLU 716 -14.679 3.961 -1.125 606 1HG GLU 716 1HG GLU 716 -14.563 3.801 -4.101 607 2HG GLU 716 2HG GLU 716 -14.151 2.394 -3.123 608 H GLU 717 H GLU 717 -13.922 8.129 -1.746 609 HA GLU 717 HA GLU 717 -14.778 7.862 1.052 610 1HB GLU 717 1HB GLU 717 -12.427 8.637 0.508 611 2HB GLU 717 2HB GLU 717 -13.148 10.104 -0.140 612 1HG GLU 717 1HG GLU 717 -12.372 10.473 2.113 613 2HG GLU 717 2HG GLU 717 -14.129 10.586 2.047 614 H ARG 718 H ARG 718 -16.950 8.235 0.977 615 HA ARG 718 HA ARG 718 -17.876 10.701 -0.323 616 1HB ARG 718 1HB ARG 718 -20.071 9.759 -0.332 617 2HB ARG 718 2HB ARG 718 -18.969 8.518 -0.911 618 1HG ARG 718 1HG ARG 718 -18.961 7.818 1.628 619 2HG ARG 718 2HG ARG 718 -20.515 8.655 1.620 620 1HD ARG 718 1HD ARG 718 -21.040 7.235 -0.453 621 2HD ARG 718 2HD ARG 718 -19.664 6.249 0.041 622 HE ARG 718 HE ARG 718 -21.299 6.522 2.263 623 1HH1 ARG 718 2HH1 ARG 718 -21.495 5.161 -0.936 624 2HH1 ARG 718 1HH1 ARG 718 -22.628 3.931 -0.484 625 1HH2 ARG 718 2HH2 ARG 718 -22.791 4.906 2.869 626 2HH2 ARG 718 1HH2 ARG 718 -23.365 3.787 1.680 627 H ARG 719 H ARG 719 -19.824 11.712 0.873 628 HA ARG 719 HA ARG 719 -19.112 13.075 3.050 629 1HB ARG 719 1HB ARG 719 -21.398 13.482 3.548 630 2HB ARG 719 2HB ARG 719 -21.310 13.227 1.811 631 1HG ARG 719 1HG ARG 719 -21.935 10.923 3.597 632 2HG ARG 719 2HG ARG 719 -23.191 12.104 3.220 633 1HD ARG 719 1HD ARG 719 -21.567 10.564 1.198 634 2HD ARG 719 2HD ARG 719 -23.221 10.189 1.680 635 HE ARG 719 HE ARG 719 -23.038 12.862 0.773 636 1HH1 ARG 719 2HH1 ARG 719 -23.044 9.575 -0.372 637 2HH1 ARG 719 1HH1 ARG 719 -23.688 9.981 -1.929 638 1HH2 ARG 719 2HH2 ARG 719 -23.885 13.410 -1.272 639 2HH2 ARG 719 1HH2 ARG 719 -24.165 12.163 -2.440 640 H SER 720 H SER 720 -19.327 12.921 5.319 641 HA SER 720 HA SER 720 -20.166 10.560 6.646 642 1HB SER 720 1HB SER 720 -17.941 9.823 7.475 643 2HB SER 720 2HB SER 720 -18.119 9.611 5.733 644 HG SER 720 HG SER 720 -16.406 11.225 7.143 645 H GLY 721 H GLY 721 -19.318 10.598 9.017 646 1HA GLY 721 1HA GLY 721 -19.290 13.424 9.881 647 2HA GLY 721 2HA GLY 721 -20.109 12.142 10.760 648 HA PRO 722 HA PRO 722 -16.558 11.672 13.289 649 1HB PRO 722 1HB PRO 722 -16.806 9.066 14.008 650 2HB PRO 722 2HB PRO 722 -17.856 10.341 14.638 651 1HG PRO 722 1HG PRO 722 -18.369 8.382 12.433 652 2HG PRO 722 2HG PRO 722 -19.452 8.911 13.734 653 1HD PRO 722 1HD PRO 722 -19.612 9.892 11.215 654 2HD PRO 722 2HD PRO 722 -20.009 10.866 12.646 655 H SER 723 H SER 723 -14.445 11.225 13.017 656 HA SER 723 HA SER 723 -13.491 8.935 11.602 657 1HB SER 723 1HB SER 723 -14.120 10.248 9.654 658 2HB SER 723 2HB SER 723 -13.235 11.643 10.271 659 HG SER 723 HG SER 723 -12.240 9.216 9.245 660 H SER 724 H SER 724 -11.314 8.572 11.937 661 HA SER 724 HA SER 724 -9.481 10.528 12.834 662 1HB SER 724 1HB SER 724 -9.219 9.733 15.177 663 2HB SER 724 2HB SER 724 -10.783 10.495 14.888 664 HG SER 724 HG SER 724 -10.395 7.697 14.719 665 H GLY 725 H GLY 725 -7.491 9.374 13.887 666 1HA GLY 725 1HA GLY 725 -5.722 8.000 13.309 667 2HA GLY 725 2HA GLY 725 -6.867 6.744 13.756 Start of MODEL 14 1 1H GLY 644 H GLY 644 -22.544 -20.847 6.323 2 1HA GLY 644 1HA GLY 644 -21.475 -21.518 8.446 3 2HA GLY 644 2HA GLY 644 -20.828 -22.451 7.105 4 H SER 645 H SER 645 -20.237 -19.805 9.317 5 HA SER 645 HA SER 645 -17.830 -18.822 8.430 6 1HB SER 645 1HB SER 645 -17.384 -18.141 10.704 7 2HB SER 645 2HB SER 645 -19.118 -17.997 10.415 8 HG SER 645 HG SER 645 -19.329 -19.241 12.085 9 H SER 646 H SER 646 -18.378 -21.694 10.439 10 HA SER 646 HA SER 646 -15.566 -22.345 10.497 11 1HB SER 646 1HB SER 646 -16.997 -22.871 12.425 12 2HB SER 646 2HB SER 646 -17.969 -23.944 11.417 13 HG SER 646 HG SER 646 -15.275 -24.250 12.223 14 H GLY 647 H GLY 647 -15.003 -22.622 8.325 15 1HA GLY 647 1HA GLY 647 -15.536 -25.263 7.295 16 2HA GLY 647 2HA GLY 647 -16.240 -23.978 6.324 17 H SER 648 H SER 648 -13.142 -24.835 7.863 18 HA SER 648 HA SER 648 -11.773 -24.371 5.346 19 1HB SER 648 1HB SER 648 -11.325 -22.681 7.800 20 2HB SER 648 2HB SER 648 -10.059 -22.905 6.593 21 HG SER 648 HG SER 648 -12.615 -22.139 5.744 22 H SER 649 H SER 649 -10.094 -25.721 5.090 23 HA SER 649 HA SER 649 -8.614 -26.772 7.323 24 1HB SER 649 1HB SER 649 -10.629 -28.450 5.863 25 2HB SER 649 2HB SER 649 -9.160 -29.194 6.496 26 HG SER 649 HG SER 649 -11.284 -27.980 7.878 27 H GLY 650 H GLY 650 -6.700 -27.837 6.703 28 1HA GLY 650 1HA GLY 650 -6.152 -28.149 3.856 29 2HA GLY 650 2HA GLY 650 -5.202 -26.936 4.701 30 H ALA 651 H ALA 651 -5.490 -30.214 3.911 31 HA ALA 651 HA ALA 651 -3.736 -31.139 6.039 32 1HB ALA 651 1HB ALA 651 -5.518 -32.383 4.091 33 2HB ALA 651 2HB ALA 651 -3.991 -33.241 4.304 34 3HB ALA 651 3HB ALA 651 -5.029 -32.930 5.696 35 H ARG 652 H ARG 652 -2.701 -29.163 4.207 36 HA ARG 652 HA ARG 652 -0.523 -30.735 2.996 37 1HB ARG 652 1HB ARG 652 -1.723 -28.169 1.937 38 2HB ARG 652 2HB ARG 652 -0.347 -29.016 1.244 39 1HG ARG 652 1HG ARG 652 -2.955 -30.431 1.568 40 2HG ARG 652 2HG ARG 652 -2.707 -29.322 0.218 41 1HD ARG 652 1HD ARG 652 -0.724 -31.484 0.828 42 2HD ARG 652 2HD ARG 652 -2.176 -31.825 -0.113 43 HE ARG 652 HE ARG 652 0.131 -30.299 -0.953 44 1HH1 ARG 652 2HH1 ARG 652 -3.213 -31.074 -1.531 45 2HH1 ARG 652 1HH1 ARG 652 -3.170 -30.602 -3.197 46 1HH2 ARG 652 2HH2 ARG 652 0.200 -29.674 -3.146 47 2HH2 ARG 652 1HH2 ARG 652 -1.228 -29.806 -4.115 48 H GLU 653 H GLU 653 1.556 -29.721 2.960 49 HA GLU 653 HA GLU 653 1.852 -27.531 4.908 50 1HB GLU 653 1HB GLU 653 3.555 -30.008 4.607 51 2HB GLU 653 2HB GLU 653 4.025 -28.611 5.566 52 1HG GLU 653 1HG GLU 653 2.168 -28.927 7.047 53 2HG GLU 653 2HG GLU 653 1.524 -30.215 6.030 54 H ARG 654 H ARG 654 2.483 -25.796 3.809 55 HA ARG 654 HA ARG 654 4.695 -26.091 1.897 56 1HB ARG 654 1HB ARG 654 2.326 -25.759 0.874 57 2HB ARG 654 2HB ARG 654 2.504 -24.097 1.420 58 1HG ARG 654 1HG ARG 654 4.681 -24.049 0.130 59 2HG ARG 654 2HG ARG 654 4.170 -25.577 -0.590 60 1HD ARG 654 1HD ARG 654 2.039 -24.405 -1.263 61 2HD ARG 654 2HD ARG 654 2.811 -22.898 -0.773 62 HE ARG 654 HE ARG 654 4.098 -22.970 -2.671 63 1HH1 ARG 654 2HH1 ARG 654 2.547 -26.051 -2.200 64 2HH1 ARG 654 1HH1 ARG 654 3.009 -26.668 -3.751 65 1HH2 ARG 654 2HH2 ARG 654 4.714 -23.772 -4.717 66 2HH2 ARG 654 1HH2 ARG 654 4.243 -25.371 -5.182 67 H ALA 655 H ALA 655 6.221 -24.489 1.931 68 HA ALA 655 HA ALA 655 5.833 -22.355 3.929 69 1HB ALA 655 1HB ALA 655 8.067 -24.239 3.507 70 2HB ALA 655 2HB ALA 655 8.504 -22.571 3.884 71 3HB ALA 655 3HB ALA 655 7.478 -23.485 4.989 72 H ILE 656 H ILE 656 4.998 -21.742 1.474 73 HA ILE 656 HA ILE 656 7.095 -19.934 0.493 74 HB ILE 656 HB ILE 656 5.232 -21.482 -1.310 75 1HG1 ILE 656 1HG1 ILE 656 7.086 -22.817 -0.206 76 2HG1 ILE 656 2HG1 ILE 656 7.093 -22.814 -1.966 77 1HG2 ILE 656 1HG2 ILE 656 6.939 -20.550 -3.027 78 2HG2 ILE 656 2HG2 ILE 656 5.654 -19.502 -2.428 79 3HG2 ILE 656 3HG2 ILE 656 7.285 -19.360 -1.773 80 1HD1 ILE 656 1HD1 ILE 656 9.333 -22.563 -1.207 81 2HD1 ILE 656 2HD1 ILE 656 8.814 -21.017 -1.879 82 3HD1 ILE 656 3HD1 ILE 656 8.879 -21.242 -0.131 83 H VAL 657 H VAL 657 6.095 -18.221 1.579 84 HA VAL 657 HA VAL 657 3.369 -17.579 1.460 85 HB VAL 657 HB VAL 657 5.716 -15.708 1.807 86 1HG1 VAL 657 1HG1 VAL 657 3.896 -14.397 3.091 87 2HG1 VAL 657 2HG1 VAL 657 3.930 -14.302 1.329 88 3HG1 VAL 657 3HG1 VAL 657 2.762 -15.350 2.134 89 1HG2 VAL 657 1HG2 VAL 657 3.999 -17.091 3.866 90 2HG2 VAL 657 2HG2 VAL 657 5.661 -17.519 3.460 91 3HG2 VAL 657 3HG2 VAL 657 5.308 -15.956 4.196 92 HA PRO 658 HA PRO 658 3.301 -16.418 -2.877 93 1HB PRO 658 1HB PRO 658 0.607 -16.099 -2.990 94 2HB PRO 658 2HB PRO 658 1.391 -17.683 -3.049 95 1HG PRO 658 1HG PRO 658 0.104 -16.292 -0.732 96 2HG PRO 658 2HG PRO 658 -0.012 -17.992 -1.221 97 1HD PRO 658 1HD PRO 658 1.609 -17.159 0.782 98 2HD PRO 658 2HD PRO 658 2.013 -18.536 -0.264 99 H LEU 659 H LEU 659 2.492 -14.538 -4.081 100 HA LEU 659 HA LEU 659 3.131 -12.115 -2.859 101 1HB LEU 659 1HB LEU 659 3.290 -12.264 -5.209 102 2HB LEU 659 2HB LEU 659 1.609 -12.772 -5.365 103 HG LEU 659 HG LEU 659 1.043 -10.422 -4.467 104 1HD1 LEU 659 1HD1 LEU 659 3.939 -10.114 -5.200 105 2HD1 LEU 659 2HD1 LEU 659 3.126 -9.643 -3.708 106 3HD1 LEU 659 3HD1 LEU 659 2.812 -8.757 -5.200 107 1HD2 LEU 659 1HD2 LEU 659 0.596 -11.159 -6.745 108 2HD2 LEU 659 2HD2 LEU 659 2.256 -10.784 -7.206 109 3HD2 LEU 659 3HD2 LEU 659 1.159 -9.488 -6.727 110 H GLU 660 H GLU 660 -0.085 -13.362 -3.764 111 HA GLU 660 HA GLU 660 -1.636 -11.290 -2.810 112 1HB GLU 660 1HB GLU 660 -2.366 -13.381 -4.082 113 2HB GLU 660 2HB GLU 660 -2.422 -14.184 -2.519 114 1HG GLU 660 1HG GLU 660 -4.610 -13.526 -2.852 115 2HG GLU 660 2HG GLU 660 -3.965 -12.254 -1.817 116 H ALA 661 H ALA 661 -0.134 -13.924 -1.039 117 HA ALA 661 HA ALA 661 -1.476 -13.550 1.415 118 1HB ALA 661 1HB ALA 661 0.742 -14.645 2.294 119 2HB ALA 661 2HB ALA 661 -0.408 -15.576 1.333 120 3HB ALA 661 3HB ALA 661 1.038 -14.908 0.575 121 H ARG 662 H ARG 662 1.929 -12.744 0.716 122 HA ARG 662 HA ARG 662 2.373 -11.129 2.909 123 1HB ARG 662 1HB ARG 662 4.170 -10.055 1.504 124 2HB ARG 662 2HB ARG 662 4.231 -11.810 1.587 125 1HG ARG 662 1HG ARG 662 2.888 -11.735 -0.614 126 2HG ARG 662 2HG ARG 662 3.434 -10.059 -0.699 127 1HD ARG 662 1HD ARG 662 5.778 -11.142 -0.208 128 2HD ARG 662 2HD ARG 662 5.006 -12.586 -0.863 129 HE ARG 662 HE ARG 662 4.531 -10.465 -2.620 130 1HH1 ARG 662 2HH1 ARG 662 7.186 -12.388 -1.449 131 2HH1 ARG 662 1HH1 ARG 662 8.118 -12.221 -2.900 132 1HH2 ARG 662 2HH2 ARG 662 5.748 -10.237 -4.536 133 2HH2 ARG 662 1HH2 ARG 662 7.300 -10.996 -4.655 134 H MET 663 H MET 663 1.075 -10.242 -0.260 135 HA MET 663 HA MET 663 0.996 -7.464 0.134 136 1HB MET 663 1HB MET 663 -0.573 -9.333 -1.624 137 2HB MET 663 2HB MET 663 -0.902 -7.605 -1.605 138 1HG MET 663 1HG MET 663 1.592 -7.316 -2.090 139 2HG MET 663 2HG MET 663 1.575 -9.031 -2.494 140 1HE MET 663 1HE MET 663 0.862 -5.481 -4.662 141 2HE MET 663 2HE MET 663 2.171 -6.222 -3.741 142 3HE MET 663 3HE MET 663 1.964 -6.610 -5.450 143 H LYS 664 H LYS 664 -1.391 -9.990 0.814 144 HA LYS 664 HA LYS 664 -3.510 -8.350 1.599 145 1HB LYS 664 1HB LYS 664 -2.712 -11.163 2.266 146 2HB LYS 664 2HB LYS 664 -4.083 -10.423 3.081 147 1HG LYS 664 1HG LYS 664 -3.961 -10.324 0.109 148 2HG LYS 664 2HG LYS 664 -4.403 -11.839 0.900 149 1HD LYS 664 1HD LYS 664 -6.434 -10.705 0.469 150 2HD LYS 664 2HD LYS 664 -6.123 -10.510 2.195 151 1HE LYS 664 1HE LYS 664 -5.664 -8.276 1.999 152 2HE LYS 664 2HE LYS 664 -5.099 -8.427 0.336 153 1HZ LYS 664 1HZ LYS 664 -7.847 -9.096 0.521 154 2HZ LYS 664 2HZ LYS 664 -7.102 -7.896 -0.409 155 3HZ LYS 664 3HZ LYS 664 -7.578 -7.561 1.180 156 H GLN 665 H GLN 665 -0.796 -9.644 3.463 157 HA GLN 665 HA GLN 665 -1.636 -8.789 5.998 158 1HB GLN 665 1HB GLN 665 1.137 -9.226 4.884 159 2HB GLN 665 2HB GLN 665 0.806 -8.912 6.583 160 1HG GLN 665 1HG GLN 665 -0.676 -10.939 6.560 161 2HG GLN 665 2HG GLN 665 -0.044 -11.287 4.952 162 1HE2 GLN 665 1HE2 GLN 665 0.185 -12.449 7.817 163 2HE2 GLN 665 2HE2 GLN 665 1.872 -12.796 7.954 164 H PHE 666 H PHE 666 0.632 -7.235 3.728 165 HA PHE 666 HA PHE 666 1.106 -4.924 5.197 166 1HB PHE 666 1HB PHE 666 2.236 -5.747 3.035 167 2HB PHE 666 2HB PHE 666 0.929 -4.923 2.192 168 HD1 PHE 666 1HD PHE 666 3.703 -4.395 4.590 169 HD2 PHE 666 2HD PHE 666 1.017 -2.622 1.806 170 HE1 PHE 666 1HE PHE 666 4.949 -2.279 4.742 171 HE2 PHE 666 2HE PHE 666 2.258 -0.503 1.952 172 HZ PHE 666 HZ PHE 666 4.227 -0.329 3.421 173 H LYS 667 H LYS 667 -1.413 -5.582 2.791 174 HA LYS 667 HA LYS 667 -2.572 -3.000 2.866 175 1HB LYS 667 1HB LYS 667 -2.862 -4.977 1.162 176 2HB LYS 667 2HB LYS 667 -4.183 -5.442 2.225 177 1HG LYS 667 1HG LYS 667 -4.856 -2.910 1.921 178 2HG LYS 667 2HG LYS 667 -3.922 -3.090 0.434 179 1HD LYS 667 1HD LYS 667 -5.986 -3.721 -0.323 180 2HD LYS 667 2HD LYS 667 -5.371 -5.288 0.208 181 1HE LYS 667 1HE LYS 667 -6.706 -5.323 2.088 182 2HE LYS 667 2HE LYS 667 -6.865 -3.568 2.135 183 1HZ LYS 667 1HZ LYS 667 -8.921 -4.232 1.392 184 2HZ LYS 667 2HZ LYS 667 -8.314 -5.515 0.473 185 3HZ LYS 667 3HZ LYS 667 -8.132 -3.924 -0.073 186 H ASP 668 H ASP 668 -3.121 -5.947 4.705 187 HA ASP 668 HA ASP 668 -5.517 -5.225 5.965 188 1HB ASP 668 1HB ASP 668 -4.540 -7.507 5.999 189 2HB ASP 668 2HB ASP 668 -3.286 -6.929 7.093 190 H MET 669 H MET 669 -2.146 -4.739 6.976 191 HA MET 669 HA MET 669 -2.801 -3.425 9.407 192 1HB MET 669 1HB MET 669 -0.390 -2.671 9.309 193 2HB MET 669 2HB MET 669 -0.646 -4.409 9.255 194 1HG MET 669 1HG MET 669 -0.273 -4.441 6.881 195 2HG MET 669 2HG MET 669 -0.168 -2.683 6.839 196 1HE MET 669 1HE MET 669 1.899 -2.367 5.742 197 2HE MET 669 2HE MET 669 2.208 -1.387 7.175 198 3HE MET 669 3HE MET 669 3.469 -2.447 6.543 199 H LEU 670 H LEU 670 -2.151 -2.320 6.130 200 HA LEU 670 HA LEU 670 -1.849 0.406 6.596 201 1HB LEU 670 1HB LEU 670 -2.909 -1.170 4.281 202 2HB LEU 670 2HB LEU 670 -2.911 0.592 4.245 203 HG LEU 670 HG LEU 670 -0.441 -1.099 4.616 204 1HD1 LEU 670 1HD1 LEU 670 -0.232 0.138 2.182 205 2HD1 LEU 670 2HD1 LEU 670 -1.928 -0.343 2.223 206 3HD1 LEU 670 3HD1 LEU 670 -0.664 -1.553 2.441 207 1HD2 LEU 670 1HD2 LEU 670 0.446 1.248 3.726 208 2HD2 LEU 670 2HD2 LEU 670 0.218 0.911 5.442 209 3HD2 LEU 670 3HD2 LEU 670 -1.010 1.808 4.548 210 H LEU 671 H LEU 671 -4.804 -1.485 6.083 211 HA LEU 671 HA LEU 671 -6.527 0.796 6.301 212 1HB LEU 671 1HB LEU 671 -7.215 -1.101 4.985 213 2HB LEU 671 2HB LEU 671 -7.081 -2.164 6.383 214 HG LEU 671 HG LEU 671 -8.948 -0.867 7.438 215 1HD1 LEU 671 1HD1 LEU 671 -9.468 1.091 6.523 216 2HD1 LEU 671 2HD1 LEU 671 -10.227 0.185 5.215 217 3HD1 LEU 671 3HD1 LEU 671 -8.557 0.729 5.057 218 1HD2 LEU 671 1HD2 LEU 671 -10.622 -1.754 5.549 219 2HD2 LEU 671 2HD2 LEU 671 -9.787 -2.825 6.673 220 3HD2 LEU 671 3HD2 LEU 671 -9.153 -2.589 5.044 221 H GLU 672 H GLU 672 -5.938 -2.035 8.390 222 HA GLU 672 HA GLU 672 -7.513 -1.327 10.537 223 1HB GLU 672 1HB GLU 672 -5.042 -2.952 10.221 224 2HB GLU 672 2HB GLU 672 -5.512 -2.509 11.856 225 1HG GLU 672 1HG GLU 672 -7.538 -3.704 10.028 226 2HG GLU 672 2HG GLU 672 -6.335 -4.741 10.792 227 H ARG 673 H ARG 673 -4.000 -0.727 10.326 228 HA ARG 673 HA ARG 673 -3.686 0.836 12.554 229 1HB ARG 673 1HB ARG 673 -2.316 0.954 9.873 230 2HB ARG 673 2HB ARG 673 -1.828 1.984 11.213 231 1HG ARG 673 1HG ARG 673 -1.973 -1.000 11.479 232 2HG ARG 673 2HG ARG 673 -0.538 -0.178 10.862 233 1HD ARG 673 1HD ARG 673 -1.831 0.210 13.558 234 2HD ARG 673 2HD ARG 673 -0.290 -0.580 13.230 235 HE ARG 673 HE ARG 673 -0.105 1.986 12.205 236 1HH1 ARG 673 2HH1 ARG 673 -0.576 0.480 15.308 237 2HH1 ARG 673 1HH1 ARG 673 0.182 1.762 16.192 238 1HH2 ARG 673 2HH2 ARG 673 0.895 3.682 13.358 239 2HH2 ARG 673 1HH2 ARG 673 1.018 3.584 15.082 240 H GLY 674 H GLY 674 -5.411 1.605 9.697 241 1HA GLY 674 1HA GLY 674 -6.841 3.404 9.355 242 2HA GLY 674 2HA GLY 674 -6.211 4.146 10.819 243 H VAL 675 H VAL 675 -4.421 3.052 7.966 244 HA VAL 675 HA VAL 675 -2.854 5.397 7.842 245 HB VAL 675 HB VAL 675 -3.330 3.247 5.777 246 1HG1 VAL 675 1HG1 VAL 675 -0.898 4.439 5.221 247 2HG1 VAL 675 2HG1 VAL 675 -2.394 4.638 4.306 248 3HG1 VAL 675 3HG1 VAL 675 -1.967 5.800 5.562 249 1HG2 VAL 675 1HG2 VAL 675 -2.238 2.321 7.655 250 2HG2 VAL 675 2HG2 VAL 675 -0.970 2.630 6.469 251 3HG2 VAL 675 3HG2 VAL 675 -1.187 3.726 7.833 252 H SER 676 H SER 676 -3.908 7.294 7.575 253 HA SER 676 HA SER 676 -6.198 7.796 6.118 254 1HB SER 676 1HB SER 676 -3.850 9.600 6.723 255 2HB SER 676 2HB SER 676 -5.348 10.177 5.991 256 HG SER 676 HG SER 676 -6.031 10.328 7.966 257 H ALA 677 H ALA 677 -6.620 8.587 4.044 258 HA ALA 677 HA ALA 677 -4.795 7.623 2.015 259 1HB ALA 677 1HB ALA 677 -6.689 8.515 0.493 260 2HB ALA 677 2HB ALA 677 -6.987 7.091 1.491 261 3HB ALA 677 3HB ALA 677 -7.599 8.666 1.997 262 H PHE 678 H PHE 678 -6.081 10.718 3.127 263 HA PHE 678 HA PHE 678 -4.679 12.203 1.085 264 1HB PHE 678 1HB PHE 678 -6.227 13.119 3.517 265 2HB PHE 678 2HB PHE 678 -5.554 14.195 2.297 266 HD1 PHE 678 1HD PHE 678 -6.384 13.989 -0.079 267 HD2 PHE 678 2HD PHE 678 -8.315 12.114 3.219 268 HE1 PHE 678 1HE PHE 678 -8.435 13.757 -1.417 269 HE2 PHE 678 2HE PHE 678 -10.369 11.878 1.886 270 HZ PHE 678 HZ PHE 678 -10.431 12.699 -0.435 271 H SER 679 H SER 679 -2.887 10.654 2.484 272 HA SER 679 HA SER 679 -1.326 12.704 3.903 273 1HB SER 679 1HB SER 679 -2.053 9.959 4.797 274 2HB SER 679 2HB SER 679 -0.421 10.521 5.157 275 HG SER 679 HG SER 679 -1.204 12.021 6.472 276 H THR 680 H THR 680 1.018 11.545 4.267 277 HA THR 680 HA THR 680 1.876 10.803 1.550 278 HB THR 680 HB THR 680 2.897 12.869 2.191 279 HG1 THR 680 1HG THR 680 4.546 11.906 1.247 280 1HG2 THR 680 1HG2 THR 680 2.852 11.729 4.804 281 2HG2 THR 680 2HG2 THR 680 3.231 13.385 4.331 282 3HG2 THR 680 3HG2 THR 680 4.512 12.177 4.415 283 H TRP 681 H TRP 681 3.797 9.382 1.426 284 HA TRP 681 HA TRP 681 3.380 6.999 2.881 285 1HB TRP 681 1HB TRP 681 4.290 6.717 0.734 286 2HB TRP 681 2HB TRP 681 5.532 7.937 1.002 287 HD1 TRP 681 HD TRP 681 7.851 7.072 1.711 288 HE1 TRP 681 1HE TRP 681 8.805 4.798 2.449 289 HE3 TRP 681 3HE TRP 681 3.480 4.451 2.116 290 HZ2 TRP 681 2HZ TRP 681 7.833 2.233 3.114 291 HZ3 TRP 681 3HZ TRP 681 3.579 2.092 2.809 292 HH2 TRP 681 HH TRP 681 5.712 1.008 3.297 293 H GLU 682 H GLU 682 5.418 9.760 3.406 294 HA GLU 682 HA GLU 682 7.351 8.650 5.093 295 1HB GLU 682 1HB GLU 682 6.165 11.425 5.254 296 2HB GLU 682 2HB GLU 682 7.713 10.915 5.912 297 1HG GLU 682 1HG GLU 682 8.719 10.827 3.852 298 2HG GLU 682 2HG GLU 682 7.196 10.583 2.999 299 H LYS 683 H LYS 683 4.417 10.443 6.050 300 HA LYS 683 HA LYS 683 4.565 9.943 8.776 301 1HB LYS 683 1HB LYS 683 2.380 10.661 6.889 302 2HB LYS 683 2HB LYS 683 1.913 10.095 8.487 303 1HG LYS 683 1HG LYS 683 2.827 11.916 9.550 304 2HG LYS 683 2HG LYS 683 3.968 12.241 8.243 305 1HD LYS 683 1HD LYS 683 2.465 13.937 7.903 306 2HD LYS 683 2HD LYS 683 1.757 12.686 6.879 307 1HE LYS 683 1HE LYS 683 0.341 12.038 8.866 308 2HE LYS 683 2HE LYS 683 0.916 13.508 9.651 309 1HZ LYS 683 1HZ LYS 683 -1.243 13.304 7.994 310 2HZ LYS 683 2HZ LYS 683 -0.058 14.004 7.011 311 3HZ LYS 683 3HZ LYS 683 -0.488 14.740 8.472 312 H GLU 684 H GLU 684 2.522 8.212 6.414 313 HA GLU 684 HA GLU 684 1.613 6.217 8.112 314 1HB GLU 684 1HB GLU 684 2.213 5.888 5.169 315 2HB GLU 684 2HB GLU 684 1.081 4.941 6.124 316 1HG GLU 684 1HG GLU 684 0.851 7.823 5.312 317 2HG GLU 684 2HG GLU 684 -0.188 6.475 4.849 318 H LEU 685 H LEU 685 4.556 6.329 6.154 319 HA LEU 685 HA LEU 685 5.477 3.752 6.445 320 1HB LEU 685 1HB LEU 685 6.737 5.093 5.042 321 2HB LEU 685 2HB LEU 685 6.847 6.397 6.222 322 HG LEU 685 HG LEU 685 8.325 4.724 7.552 323 1HD1 LEU 685 1HD1 LEU 685 8.630 2.743 6.601 324 2HD1 LEU 685 2HD1 LEU 685 9.540 3.557 5.329 325 3HD1 LEU 685 3HD1 LEU 685 7.814 3.260 5.126 326 1HD2 LEU 685 1HD2 LEU 685 8.951 6.872 6.289 327 2HD2 LEU 685 2HD2 LEU 685 9.543 5.790 5.027 328 3HD2 LEU 685 3HD2 LEU 685 10.232 5.715 6.650 329 H HIS 686 H HIS 686 6.223 6.498 8.597 330 HA HIS 686 HA HIS 686 7.644 5.028 10.508 331 1HB HIS 686 1HB HIS 686 7.649 6.953 11.791 332 2HB HIS 686 2HB HIS 686 7.337 7.614 10.189 333 HD1 HIS 686 1HD HIS 686 5.592 9.346 10.258 334 HD2 HIS 686 2HD HIS 686 4.912 6.377 13.083 335 HE1 HIS 686 1HE HIS 686 3.479 10.019 11.445 336 H LYS 687 H LYS 687 4.207 5.617 10.117 337 HA LYS 687 HA LYS 687 3.395 4.644 12.651 338 1HB LYS 687 1HB LYS 687 1.933 4.931 10.027 339 2HB LYS 687 2HB LYS 687 1.151 4.379 11.502 340 1HG LYS 687 1HG LYS 687 2.036 6.558 12.539 341 2HG LYS 687 2HG LYS 687 2.283 7.076 10.870 342 1HD LYS 687 1HD LYS 687 -0.204 6.246 10.602 343 2HD LYS 687 2HD LYS 687 -0.250 6.533 12.343 344 1HE LYS 687 1HE LYS 687 -0.899 8.588 11.559 345 2HE LYS 687 2HE LYS 687 0.844 8.822 11.672 346 1HZ LYS 687 1HZ LYS 687 -0.774 8.313 9.248 347 2HZ LYS 687 2HZ LYS 687 0.905 8.116 9.262 348 3HZ LYS 687 3HZ LYS 687 0.230 9.634 9.579 349 H ILE 688 H ILE 688 4.369 3.095 9.733 350 HA ILE 688 HA ILE 688 3.490 0.497 10.814 351 HB ILE 688 HB ILE 688 3.536 -0.374 8.524 352 1HG1 ILE 688 1HG1 ILE 688 3.731 2.388 7.409 353 2HG1 ILE 688 2HG1 ILE 688 5.220 1.575 7.880 354 1HG2 ILE 688 1HG2 ILE 688 1.686 1.351 7.655 355 2HG2 ILE 688 2HG2 ILE 688 1.380 0.181 8.937 356 3HG2 ILE 688 3HG2 ILE 688 1.772 1.852 9.343 357 1HD1 ILE 688 1HD1 ILE 688 5.225 0.563 5.919 358 2HD1 ILE 688 2HD1 ILE 688 3.747 -0.281 6.380 359 3HD1 ILE 688 3HD1 ILE 688 3.654 1.254 5.518 360 H VAL 689 H VAL 689 6.095 2.349 10.748 361 HA VAL 689 HA VAL 689 8.102 0.656 9.649 362 HB VAL 689 HB VAL 689 8.346 3.131 10.043 363 1HG1 VAL 689 1HG1 VAL 689 7.587 2.543 12.602 364 2HG1 VAL 689 2HG1 VAL 689 9.333 2.740 12.768 365 3HG1 VAL 689 3HG1 VAL 689 8.357 4.043 12.089 366 1HG2 VAL 689 1HG2 VAL 689 10.651 1.974 11.450 367 2HG2 VAL 689 2HG2 VAL 689 10.221 1.171 9.940 368 3HG2 VAL 689 3HG2 VAL 689 10.582 2.897 9.949 369 H PHE 690 H PHE 690 6.450 0.785 12.683 370 HA PHE 690 HA PHE 690 8.424 -0.851 14.047 371 1HB PHE 690 1HB PHE 690 7.165 -0.515 16.010 372 2HB PHE 690 2HB PHE 690 7.035 1.009 15.138 373 HD1 PHE 690 1HD PHE 690 5.251 -2.226 15.599 374 HD2 PHE 690 2HD PHE 690 4.955 1.943 14.794 375 HE1 PHE 690 1HE PHE 690 2.798 -2.384 15.700 376 HE2 PHE 690 2HE PHE 690 2.501 1.792 14.895 377 HZ PHE 690 HZ PHE 690 1.419 -0.373 15.349 378 H ASP 691 H ASP 691 5.761 -1.324 12.034 379 HA ASP 691 HA ASP 691 4.838 -3.799 13.162 380 1HB ASP 691 1HB ASP 691 3.520 -2.151 11.676 381 2HB ASP 691 2HB ASP 691 4.357 -2.913 10.327 382 HA PRO 692 HA PRO 692 7.895 -6.468 11.445 383 1HB PRO 692 1HB PRO 692 6.511 -8.800 11.577 384 2HB PRO 692 2HB PRO 692 7.197 -8.008 13.001 385 1HG PRO 692 1HG PRO 692 4.384 -7.961 11.979 386 2HG PRO 692 2HG PRO 692 4.967 -8.137 13.644 387 1HD PRO 692 1HD PRO 692 4.041 -5.788 12.665 388 2HD PRO 692 2HD PRO 692 5.321 -5.873 13.893 389 H ARG 693 H ARG 693 4.592 -6.542 10.187 390 HA ARG 693 HA ARG 693 5.155 -8.009 7.839 391 1HB ARG 693 1HB ARG 693 2.944 -6.064 8.510 392 2HB ARG 693 2HB ARG 693 3.002 -6.982 7.011 393 1HG ARG 693 1HG ARG 693 2.716 -9.030 8.129 394 2HG ARG 693 2HG ARG 693 3.067 -8.309 9.701 395 1HD ARG 693 1HD ARG 693 0.722 -7.429 8.046 396 2HD ARG 693 2HD ARG 693 0.620 -8.817 9.130 397 HE ARG 693 HE ARG 693 1.654 -6.669 10.579 398 1HH1 ARG 693 2HH1 ARG 693 -1.300 -7.588 8.983 399 2HH1 ARG 693 1HH1 ARG 693 -2.313 -6.662 10.040 400 1HH2 ARG 693 2HH2 ARG 693 0.331 -5.445 11.977 401 2HH2 ARG 693 1HH2 ARG 693 -1.384 -5.442 11.742 402 H TYR 694 H TYR 694 5.908 -4.826 8.753 403 HA TYR 694 HA TYR 694 5.863 -3.582 6.198 404 1HB TYR 694 1HB TYR 694 5.838 -2.114 8.041 405 2HB TYR 694 2HB TYR 694 7.200 -2.919 8.812 406 HD1 TYR 694 1HD TYR 694 9.279 -1.920 8.678 407 HD2 TYR 694 2HD TYR 694 6.388 -1.045 5.682 408 HE1 TYR 694 1HE TYR 694 10.818 -0.282 7.681 409 HE2 TYR 694 2HE TYR 694 7.919 0.596 4.676 410 HH TYR 694 HH TYR 694 10.521 1.858 6.201 411 H LEU 695 H LEU 695 7.792 -6.003 7.420 412 HA LEU 695 HA LEU 695 9.987 -5.324 5.574 413 1HB LEU 695 1HB LEU 695 10.166 -7.106 7.994 414 2HB LEU 695 2HB LEU 695 11.493 -6.562 6.971 415 HG LEU 695 HG LEU 695 9.832 -4.641 8.580 416 1HD1 LEU 695 1HD1 LEU 695 11.469 -4.748 10.338 417 2HD1 LEU 695 2HD1 LEU 695 12.400 -5.955 9.452 418 3HD1 LEU 695 3HD1 LEU 695 10.801 -6.359 10.075 419 1HD2 LEU 695 1HD2 LEU 695 12.015 -3.357 8.416 420 2HD2 LEU 695 2HD2 LEU 695 11.088 -3.531 6.925 421 3HD2 LEU 695 3HD2 LEU 695 12.505 -4.544 7.208 422 H LEU 696 H LEU 696 7.339 -6.998 5.501 423 HA LEU 696 HA LEU 696 8.431 -9.575 4.678 424 1HB LEU 696 1HB LEU 696 5.617 -8.561 5.011 425 2HB LEU 696 2HB LEU 696 6.001 -10.154 4.363 426 HG LEU 696 HG LEU 696 6.779 -9.210 7.120 427 1HD1 LEU 696 1HD1 LEU 696 4.662 -11.242 6.640 428 2HD1 LEU 696 2HD1 LEU 696 4.249 -9.536 6.473 429 3HD1 LEU 696 3HD1 LEU 696 4.889 -10.142 8.001 430 1HD2 LEU 696 1HD2 LEU 696 8.243 -10.919 6.629 431 2HD2 LEU 696 2HD2 LEU 696 7.088 -11.757 5.593 432 3HD2 LEU 696 3HD2 LEU 696 6.897 -11.805 7.346 433 H LEU 697 H LEU 697 7.256 -6.626 3.337 434 HA LEU 697 HA LEU 697 7.276 -7.829 0.647 435 1HB LEU 697 1HB LEU 697 5.693 -5.581 1.826 436 2HB LEU 697 2HB LEU 697 5.984 -5.649 0.089 437 HG LEU 697 HG LEU 697 4.645 -7.851 1.654 438 1HD1 LEU 697 1HD1 LEU 697 2.647 -6.867 1.430 439 2HD1 LEU 697 2HD1 LEU 697 3.026 -6.232 -0.170 440 3HD1 LEU 697 3HD1 LEU 697 3.577 -5.377 1.271 441 1HD2 LEU 697 1HD2 LEU 697 3.807 -8.103 -0.884 442 2HD2 LEU 697 2HD2 LEU 697 5.232 -8.923 -0.246 443 3HD2 LEU 697 3HD2 LEU 697 5.412 -7.428 -1.165 444 H ASN 698 H ASN 698 8.418 -6.821 -0.992 445 HA ASN 698 HA ASN 698 10.822 -5.622 -0.408 446 1HB ASN 698 1HB ASN 698 9.144 -5.834 -2.854 447 2HB ASN 698 2HB ASN 698 10.452 -4.655 -2.882 448 1HD2 ASN 698 1HD2 ASN 698 10.631 -6.596 -4.652 449 2HD2 ASN 698 2HD2 ASN 698 11.824 -7.764 -4.208 450 HA PRO 699 HA PRO 699 10.170 -1.369 0.447 451 1HB PRO 699 1HB PRO 699 12.189 -0.165 -0.912 452 2HB PRO 699 2HB PRO 699 12.453 -1.128 0.547 453 1HG PRO 699 1HG PRO 699 12.793 -1.907 -2.324 454 2HG PRO 699 2HG PRO 699 13.844 -2.253 -0.939 455 1HD PRO 699 1HD PRO 699 12.111 -4.075 -1.943 456 2HD PRO 699 2HD PRO 699 12.531 -4.006 -0.220 457 H LYS 700 H LYS 700 10.520 -2.217 -2.954 458 HA LYS 700 HA LYS 700 9.500 0.245 -3.970 459 1HB LYS 700 1HB LYS 700 10.131 -2.441 -5.106 460 2HB LYS 700 2HB LYS 700 9.096 -1.367 -6.038 461 1HG LYS 700 1HG LYS 700 10.798 0.301 -6.143 462 2HG LYS 700 2HG LYS 700 11.812 -0.589 -5.005 463 1HD LYS 700 1HD LYS 700 12.772 -1.155 -7.026 464 2HD LYS 700 2HD LYS 700 11.645 -2.492 -6.784 465 1HE LYS 700 1HE LYS 700 10.001 -1.323 -8.202 466 2HE LYS 700 2HE LYS 700 11.178 -0.040 -8.480 467 1HZ LYS 700 1HZ LYS 700 11.339 -1.452 -10.321 468 2HZ LYS 700 2HZ LYS 700 11.300 -2.856 -9.379 469 3HZ LYS 700 3HZ LYS 700 12.670 -1.862 -9.361 470 H GLU 701 H GLU 701 8.088 -2.964 -3.413 471 HA GLU 701 HA GLU 701 5.539 -2.429 -4.438 472 1HB GLU 701 1HB GLU 701 6.501 -4.355 -2.330 473 2HB GLU 701 2HB GLU 701 4.821 -4.290 -2.843 474 1HG GLU 701 1HG GLU 701 7.015 -4.639 -4.844 475 2HG GLU 701 2HG GLU 701 6.398 -6.011 -3.925 476 H ARG 702 H ARG 702 6.685 -2.294 -1.066 477 HA ARG 702 HA ARG 702 4.530 -1.597 0.344 478 1HB ARG 702 1HB ARG 702 7.302 -0.451 0.424 479 2HB ARG 702 2HB ARG 702 6.067 0.139 1.528 480 1HG ARG 702 1HG ARG 702 5.988 -1.815 2.708 481 2HG ARG 702 2HG ARG 702 6.503 -2.794 1.333 482 1HD ARG 702 1HD ARG 702 8.117 -2.287 3.366 483 2HD ARG 702 2HD ARG 702 8.717 -2.409 1.712 484 HE ARG 702 HE ARG 702 7.978 0.260 2.359 485 1HH1 ARG 702 2HH1 ARG 702 10.477 -2.121 2.809 486 2HH1 ARG 702 1HH1 ARG 702 11.735 -0.950 3.030 487 1HH2 ARG 702 2HH2 ARG 702 9.625 1.812 2.649 488 2HH2 ARG 702 1HH2 ARG 702 11.249 1.287 2.940 489 H LYS 703 H LYS 703 6.347 0.705 -1.667 490 HA LYS 703 HA LYS 703 4.592 2.887 -1.167 491 1HB LYS 703 1HB LYS 703 7.055 2.835 -2.077 492 2HB LYS 703 2HB LYS 703 6.265 2.713 -3.644 493 1HG LYS 703 1HG LYS 703 5.487 4.868 -1.724 494 2HG LYS 703 2HG LYS 703 6.925 5.037 -2.734 495 1HD LYS 703 1HD LYS 703 4.335 4.240 -3.990 496 2HD LYS 703 2HD LYS 703 4.605 5.931 -3.561 497 1HE LYS 703 1HE LYS 703 6.783 5.764 -4.843 498 2HE LYS 703 2HE LYS 703 6.201 4.214 -5.449 499 1HZ LYS 703 1HZ LYS 703 5.261 6.918 -6.053 500 2HZ LYS 703 2HZ LYS 703 4.118 5.671 -6.047 501 3HZ LYS 703 3HZ LYS 703 5.455 5.587 -7.080 502 H GLN 704 H GLN 704 4.956 0.636 -3.893 503 HA GLN 704 HA GLN 704 2.999 1.700 -5.560 504 1HB GLN 704 1HB GLN 704 4.147 -1.047 -5.218 505 2HB GLN 704 2HB GLN 704 2.800 -0.793 -6.320 506 1HG GLN 704 1HG GLN 704 5.485 0.560 -6.445 507 2HG GLN 704 2HG GLN 704 4.905 -0.722 -7.507 508 1HE2 GLN 704 1HE2 GLN 704 4.762 2.639 -6.725 509 2HE2 GLN 704 2HE2 GLN 704 3.851 3.139 -8.105 510 H VAL 705 H VAL 705 2.631 -1.114 -3.393 511 HA VAL 705 HA VAL 705 -0.116 -1.415 -3.664 512 HB VAL 705 HB VAL 705 1.570 -2.000 -1.225 513 1HG1 VAL 705 1HG1 VAL 705 -1.093 -1.913 -1.190 514 2HG1 VAL 705 2HG1 VAL 705 -0.885 -3.540 -1.841 515 3HG1 VAL 705 3HG1 VAL 705 -0.172 -3.113 -0.285 516 1HG2 VAL 705 1HG2 VAL 705 1.144 -4.391 -2.350 517 2HG2 VAL 705 2HG2 VAL 705 1.137 -3.388 -3.801 518 3HG2 VAL 705 3HG2 VAL 705 2.541 -3.385 -2.734 519 H PHE 706 H PHE 706 1.723 0.654 -1.476 520 HA PHE 706 HA PHE 706 -0.420 1.498 0.136 521 1HB PHE 706 1HB PHE 706 1.751 1.937 0.955 522 2HB PHE 706 2HB PHE 706 2.245 2.726 -0.540 523 HD1 PHE 706 1HD PHE 706 2.192 5.031 -0.695 524 HD2 PHE 706 2HD PHE 706 -0.128 3.092 2.301 525 HE1 PHE 706 1HE PHE 706 1.612 7.220 0.267 526 HE2 PHE 706 2HE PHE 706 -0.712 5.278 3.267 527 HZ PHE 706 HZ PHE 706 0.157 7.346 2.250 528 H ASP 707 H ASP 707 0.830 2.676 -2.934 529 HA ASP 707 HA ASP 707 -0.663 5.067 -3.046 530 1HB ASP 707 1HB ASP 707 1.304 4.524 -4.492 531 2HB ASP 707 2HB ASP 707 0.285 3.394 -5.379 532 H GLN 708 H GLN 708 -1.242 1.956 -4.697 533 HA GLN 708 HA GLN 708 -3.713 2.559 -5.789 534 1HB GLN 708 1HB GLN 708 -3.991 0.260 -6.166 535 2HB GLN 708 2HB GLN 708 -2.247 0.487 -6.145 536 1HG GLN 708 1HG GLN 708 -2.036 -0.478 -4.019 537 2HG GLN 708 2HG GLN 708 -3.767 -0.357 -3.703 538 1HE2 GLN 708 1HE2 GLN 708 -5.075 -1.987 -4.294 539 2HE2 GLN 708 2HE2 GLN 708 -4.552 -3.418 -5.109 540 H TYR 709 H TYR 709 -2.908 1.449 -2.549 541 HA TYR 709 HA TYR 709 -5.526 0.884 -1.679 542 1HB TYR 709 1HB TYR 709 -3.839 0.021 -0.311 543 2HB TYR 709 2HB TYR 709 -2.957 1.544 -0.271 544 HD1 TYR 709 1HD TYR 709 -5.427 -0.507 1.350 545 HD2 TYR 709 2HD TYR 709 -3.907 3.457 1.075 546 HE1 TYR 709 1HE TYR 709 -6.490 0.043 3.498 547 HE2 TYR 709 2HE TYR 709 -4.965 4.018 3.223 548 HH TYR 709 HH TYR 709 -5.713 2.649 5.320 549 H VAL 710 H VAL 710 -3.572 3.834 -1.535 550 HA VAL 710 HA VAL 710 -5.456 5.371 -0.081 551 HB VAL 710 HB VAL 710 -3.194 6.216 -1.892 552 1HG1 VAL 710 1HG1 VAL 710 -4.973 7.941 -1.742 553 2HG1 VAL 710 2HG1 VAL 710 -4.767 7.947 0.011 554 3HG1 VAL 710 3HG1 VAL 710 -3.439 8.449 -1.036 555 1HG2 VAL 710 1HG2 VAL 710 -2.033 5.445 -0.128 556 2HG2 VAL 710 2HG2 VAL 710 -2.528 6.955 0.636 557 3HG2 VAL 710 3HG2 VAL 710 -3.437 5.475 0.939 558 H LYS 711 H LYS 711 -4.764 5.064 -3.547 559 HA LYS 711 HA LYS 711 -6.479 6.995 -4.538 560 1HB LYS 711 1HB LYS 711 -5.562 4.353 -5.643 561 2HB LYS 711 2HB LYS 711 -6.661 5.383 -6.551 562 1HG LYS 711 1HG LYS 711 -4.924 7.223 -6.239 563 2HG LYS 711 2HG LYS 711 -3.829 5.933 -5.736 564 1HD LYS 711 1HD LYS 711 -3.842 4.934 -7.835 565 2HD LYS 711 2HD LYS 711 -5.354 5.714 -8.305 566 1HE LYS 711 1HE LYS 711 -2.828 7.264 -7.802 567 2HE LYS 711 2HE LYS 711 -3.216 6.584 -9.381 568 1HZ LYS 711 1HZ LYS 711 -5.123 8.332 -7.956 569 2HZ LYS 711 2HZ LYS 711 -5.057 7.964 -9.605 570 3HZ LYS 711 3HZ LYS 711 -3.892 8.981 -8.919 571 H THR 712 H THR 712 -7.191 3.578 -3.855 572 HA THR 712 HA THR 712 -9.923 3.728 -4.596 573 HB THR 712 HB THR 712 -9.972 1.631 -2.944 574 HG1 THR 712 1HG THR 712 -7.894 1.890 -2.118 575 1HG2 THR 712 1HG2 THR 712 -9.925 0.392 -4.835 576 2HG2 THR 712 2HG2 THR 712 -8.382 1.066 -5.361 577 3HG2 THR 712 3HG2 THR 712 -9.875 1.966 -5.628 578 H ARG 713 H ARG 713 -8.200 4.241 -1.579 579 HA ARG 713 HA ARG 713 -10.461 4.268 0.122 580 1HB ARG 713 1HB ARG 713 -7.629 5.178 0.324 581 2HB ARG 713 2HB ARG 713 -8.779 5.794 1.504 582 1HG ARG 713 1HG ARG 713 -8.451 2.861 0.955 583 2HG ARG 713 2HG ARG 713 -7.480 3.724 2.150 584 1HD ARG 713 1HD ARG 713 -9.183 2.988 3.484 585 2HD ARG 713 2HD ARG 713 -9.845 4.542 2.977 586 HE ARG 713 HE ARG 713 -11.524 3.407 1.942 587 1HH1 ARG 713 2HH1 ARG 713 -8.807 1.261 2.304 588 2HH1 ARG 713 1HH1 ARG 713 -9.644 -0.117 1.670 589 1HH2 ARG 713 2HH2 ARG 713 -12.637 1.600 1.105 590 2HH2 ARG 713 1HH2 ARG 713 -11.823 0.077 0.987 591 H ALA 714 H ALA 714 -9.119 6.587 -2.058 592 HA ALA 714 HA ALA 714 -10.521 8.833 -0.872 593 1HB ALA 714 1HB ALA 714 -9.391 10.194 -2.382 594 2HB ALA 714 2HB ALA 714 -8.233 8.905 -2.051 595 3HB ALA 714 3HB ALA 714 -9.170 8.886 -3.545 596 H GLU 715 H GLU 715 -10.680 6.925 -3.867 597 HA GLU 715 HA GLU 715 -12.808 8.270 -5.069 598 1HB GLU 715 1HB GLU 715 -12.862 6.549 -6.601 599 2HB GLU 715 2HB GLU 715 -11.243 6.356 -5.944 600 1HG GLU 715 1HG GLU 715 -12.167 4.642 -4.382 601 2HG GLU 715 2HG GLU 715 -13.693 4.755 -5.257 602 H GLU 716 H GLU 716 -12.802 5.578 -2.775 603 HA GLU 716 HA GLU 716 -15.362 4.726 -2.749 604 1HB GLU 716 1HB GLU 716 -13.410 4.159 -1.151 605 2HB GLU 716 2HB GLU 716 -14.050 5.451 -0.145 606 1HG GLU 716 1HG GLU 716 -15.614 3.045 -1.048 607 2HG GLU 716 2HG GLU 716 -14.829 3.210 0.521 608 H GLU 717 H GLU 717 -14.246 7.875 -1.797 609 HA GLU 717 HA GLU 717 -16.734 8.615 -0.526 610 1HB GLU 717 1HB GLU 717 -14.109 9.923 -1.022 611 2HB GLU 717 2HB GLU 717 -15.505 10.970 -0.808 612 1HG GLU 717 1HG GLU 717 -14.686 10.798 1.333 613 2HG GLU 717 2HG GLU 717 -15.940 9.560 1.313 614 H ARG 718 H ARG 718 -18.393 8.574 -1.967 615 HA ARG 718 HA ARG 718 -18.215 10.475 -4.206 616 1HB ARG 718 1HB ARG 718 -19.414 7.703 -4.246 617 2HB ARG 718 2HB ARG 718 -19.714 8.908 -5.491 618 1HG ARG 718 1HG ARG 718 -17.137 8.997 -5.689 619 2HG ARG 718 2HG ARG 718 -17.190 7.447 -4.848 620 1HD ARG 718 1HD ARG 718 -18.636 8.104 -7.413 621 2HD ARG 718 2HD ARG 718 -17.139 7.180 -7.290 622 HE ARG 718 HE ARG 718 -19.071 5.968 -5.667 623 1HH1 ARG 718 2HH1 ARG 718 -18.404 6.535 -9.036 624 2HH1 ARG 718 1HH1 ARG 718 -19.231 5.111 -9.574 625 1HH2 ARG 718 2HH2 ARG 718 -20.163 4.090 -6.363 626 2HH2 ARG 718 1HH2 ARG 718 -20.232 3.721 -8.053 627 H ARG 719 H ARG 719 -20.160 11.524 -4.772 628 HA ARG 719 HA ARG 719 -21.889 12.040 -2.565 629 1HB ARG 719 1HB ARG 719 -21.675 13.011 -5.381 630 2HB ARG 719 2HB ARG 719 -23.168 13.307 -4.501 631 1HG ARG 719 1HG ARG 719 -21.995 15.222 -4.055 632 2HG ARG 719 2HG ARG 719 -21.567 14.228 -2.660 633 1HD ARG 719 1HD ARG 719 -19.888 14.254 -5.147 634 2HD ARG 719 2HD ARG 719 -19.685 15.471 -3.888 635 HE ARG 719 HE ARG 719 -19.616 12.946 -2.689 636 1HH1 ARG 719 2HH1 ARG 719 -17.739 14.888 -4.886 637 2HH1 ARG 719 1HH1 ARG 719 -16.228 14.168 -4.438 638 1HH2 ARG 719 2HH2 ARG 719 -17.633 11.990 -2.091 639 2HH2 ARG 719 1HH2 ARG 719 -16.169 12.518 -2.849 640 H SER 720 H SER 720 -23.457 10.716 -1.945 641 HA SER 720 HA SER 720 -24.875 9.142 -3.986 642 1HB SER 720 1HB SER 720 -24.482 8.675 -1.025 643 2HB SER 720 2HB SER 720 -25.591 7.726 -2.015 644 HG SER 720 HG SER 720 -22.991 7.379 -1.706 645 H GLY 721 H GLY 721 -26.476 10.529 -4.628 646 1HA GLY 721 1HA GLY 721 -28.021 12.061 -2.753 647 2HA GLY 721 2HA GLY 721 -28.334 11.895 -4.474 648 HA PRO 722 HA PRO 722 -31.754 9.292 -3.637 649 1HB PRO 722 1HB PRO 722 -31.701 7.609 -5.767 650 2HB PRO 722 2HB PRO 722 -32.179 9.306 -5.895 651 1HG PRO 722 1HG PRO 722 -29.549 8.026 -6.531 652 2HG PRO 722 2HG PRO 722 -30.444 9.256 -7.442 653 1HD PRO 722 1HD PRO 722 -28.348 9.868 -5.841 654 2HD PRO 722 2HD PRO 722 -29.717 10.971 -6.086 655 H SER 723 H SER 723 -32.380 7.228 -2.911 656 HA SER 723 HA SER 723 -30.653 5.805 -1.358 657 1HB SER 723 1HB SER 723 -32.284 3.901 -1.532 658 2HB SER 723 2HB SER 723 -33.030 5.457 -1.167 659 HG SER 723 HG SER 723 -34.100 4.219 -2.837 660 H SER 724 H SER 724 -28.819 4.821 -1.859 661 HA SER 724 HA SER 724 -28.040 4.050 -4.433 662 1HB SER 724 1HB SER 724 -27.000 3.135 -1.741 663 2HB SER 724 2HB SER 724 -26.197 2.822 -3.280 664 HG SER 724 HG SER 724 -26.510 5.315 -3.406 665 H GLY 725 H GLY 725 -28.243 2.220 -5.596 666 1HA GLY 725 1HA GLY 725 -28.419 -0.204 -5.686 667 2HA GLY 725 2HA GLY 725 -29.450 -0.122 -4.265 Start of MODEL 15 1 1H GLY 644 H GLY 644 -18.883 -20.668 15.454 2 1HA GLY 644 1HA GLY 644 -18.008 -22.813 17.245 3 2HA GLY 644 2HA GLY 644 -18.526 -23.004 15.576 4 H SER 645 H SER 645 -17.031 -23.056 13.989 5 HA SER 645 HA SER 645 -14.405 -21.955 14.303 6 1HB SER 645 1HB SER 645 -14.813 -24.937 14.502 7 2HB SER 645 2HB SER 645 -13.283 -24.236 13.975 8 HG SER 645 HG SER 645 -13.277 -24.606 16.215 9 H SER 646 H SER 646 -12.967 -22.771 12.399 10 HA SER 646 HA SER 646 -14.646 -23.179 10.017 11 1HB SER 646 1HB SER 646 -12.435 -21.156 10.396 12 2HB SER 646 2HB SER 646 -13.054 -21.617 8.811 13 HG SER 646 HG SER 646 -14.888 -20.843 10.772 14 H GLY 647 H GLY 647 -11.335 -23.250 11.310 15 1HA GLY 647 1HA GLY 647 -9.884 -25.103 11.166 16 2HA GLY 647 2HA GLY 647 -10.891 -25.763 9.886 17 H SER 648 H SER 648 -7.909 -24.822 10.365 18 HA SER 648 HA SER 648 -7.621 -23.772 7.637 19 1HB SER 648 1HB SER 648 -5.943 -22.172 8.349 20 2HB SER 648 2HB SER 648 -7.419 -21.900 9.275 21 HG SER 648 HG SER 648 -6.307 -23.413 10.848 22 H SER 649 H SER 649 -6.310 -25.003 6.477 23 HA SER 649 HA SER 649 -3.909 -26.135 7.627 24 1HB SER 649 1HB SER 649 -4.443 -28.450 6.977 25 2HB SER 649 2HB SER 649 -5.578 -27.848 8.185 26 HG SER 649 HG SER 649 -6.180 -27.597 5.451 27 H GLY 650 H GLY 650 -2.593 -27.276 5.948 28 1HA GLY 650 1HA GLY 650 -3.057 -27.305 3.240 29 2HA GLY 650 2HA GLY 650 -2.505 -25.672 3.579 30 H ALA 651 H ALA 651 -1.631 -29.074 3.691 31 HA ALA 651 HA ALA 651 0.933 -28.951 4.690 32 1HB ALA 651 1HB ALA 651 -0.606 -30.905 3.591 33 2HB ALA 651 2HB ALA 651 0.660 -30.730 2.376 34 3HB ALA 651 3HB ALA 651 1.087 -31.095 4.048 35 H ARG 652 H ARG 652 2.393 -27.456 4.130 36 HA ARG 652 HA ARG 652 3.021 -27.164 1.267 37 1HB ARG 652 1HB ARG 652 2.791 -25.052 3.396 38 2HB ARG 652 2HB ARG 652 3.765 -24.791 1.955 39 1HG ARG 652 1HG ARG 652 1.726 -25.293 0.593 40 2HG ARG 652 2HG ARG 652 0.804 -25.291 2.098 41 1HD ARG 652 1HD ARG 652 2.557 -22.961 1.511 42 2HD ARG 652 2HD ARG 652 1.049 -23.118 0.611 43 HE ARG 652 HE ARG 652 -0.130 -22.666 2.542 44 1HH1 ARG 652 2HH1 ARG 652 3.240 -23.140 3.276 45 2HH1 ARG 652 1HH1 ARG 652 3.103 -22.551 4.900 46 1HH2 ARG 652 2HH2 ARG 652 -0.323 -21.889 4.677 47 2HH2 ARG 652 1HH2 ARG 652 1.076 -21.841 5.696 48 H GLU 653 H GLU 653 4.734 -28.598 1.310 49 HA GLU 653 HA GLU 653 6.700 -28.849 3.236 50 1HB GLU 653 1HB GLU 653 6.477 -30.426 1.400 51 2HB GLU 653 2HB GLU 653 6.942 -29.187 0.243 52 1HG GLU 653 1HG GLU 653 8.741 -30.805 0.790 53 2HG GLU 653 2HG GLU 653 9.166 -29.120 1.088 54 H ARG 654 H ARG 654 6.580 -26.642 0.470 55 HA ARG 654 HA ARG 654 9.136 -25.470 1.103 56 1HB ARG 654 1HB ARG 654 6.998 -24.602 -0.851 57 2HB ARG 654 2HB ARG 654 8.611 -23.912 -0.741 58 1HG ARG 654 1HG ARG 654 9.534 -26.167 -1.266 59 2HG ARG 654 2HG ARG 654 7.881 -26.715 -1.550 60 1HD ARG 654 1HD ARG 654 8.646 -26.162 -3.678 61 2HD ARG 654 2HD ARG 654 7.730 -24.738 -3.186 62 HE ARG 654 HE ARG 654 10.391 -24.348 -2.445 63 1HH1 ARG 654 2HH1 ARG 654 8.484 -24.672 -5.339 64 2HH1 ARG 654 1HH1 ARG 654 9.537 -23.686 -6.299 65 1HH2 ARG 654 2HH2 ARG 654 11.785 -23.049 -3.698 66 2HH2 ARG 654 1HH2 ARG 654 11.415 -22.765 -5.365 67 H ALA 655 H ALA 655 9.447 -23.233 1.654 68 HA ALA 655 HA ALA 655 7.206 -22.115 3.211 69 1HB ALA 655 1HB ALA 655 9.887 -21.227 3.975 70 2HB ALA 655 2HB ALA 655 8.539 -21.769 4.977 71 3HB ALA 655 3HB ALA 655 9.602 -22.951 4.214 72 H ILE 656 H ILE 656 7.080 -21.364 0.710 73 HA ILE 656 HA ILE 656 8.418 -18.742 0.562 74 HB ILE 656 HB ILE 656 7.364 -20.447 -1.698 75 1HG1 ILE 656 1HG1 ILE 656 10.219 -19.614 -1.214 76 2HG1 ILE 656 2HG1 ILE 656 9.557 -21.087 -0.514 77 1HG2 ILE 656 1HG2 ILE 656 7.181 -17.905 -1.907 78 2HG2 ILE 656 2HG2 ILE 656 8.942 -17.911 -1.982 79 3HG2 ILE 656 3HG2 ILE 656 8.005 -18.772 -3.202 80 1HD1 ILE 656 1HD1 ILE 656 10.739 -21.598 -2.544 81 2HD1 ILE 656 2HD1 ILE 656 9.013 -21.880 -2.779 82 3HD1 ILE 656 3HD1 ILE 656 9.768 -20.431 -3.441 83 H VAL 657 H VAL 657 6.920 -17.479 1.596 84 HA VAL 657 HA VAL 657 4.151 -17.637 1.404 85 HB VAL 657 HB VAL 657 5.316 -16.263 3.081 86 1HG1 VAL 657 1HG1 VAL 657 6.968 -15.357 1.351 87 2HG1 VAL 657 2HG1 VAL 657 5.719 -14.172 0.965 88 3HG1 VAL 657 3HG1 VAL 657 6.396 -14.244 2.593 89 1HG2 VAL 657 1HG2 VAL 657 3.782 -14.345 3.031 90 2HG2 VAL 657 2HG2 VAL 657 3.371 -14.726 1.358 91 3HG2 VAL 657 3HG2 VAL 657 2.958 -15.856 2.648 92 HA PRO 658 HA PRO 658 3.500 -16.384 -2.810 93 1HB PRO 658 1HB PRO 658 0.790 -16.306 -2.681 94 2HB PRO 658 2HB PRO 658 1.703 -17.815 -2.789 95 1HG PRO 658 1HG PRO 658 0.510 -16.492 -0.384 96 2HG PRO 658 2HG PRO 658 0.504 -18.207 -0.836 97 1HD PRO 658 1HD PRO 658 2.217 -17.189 0.998 98 2HD PRO 658 2HD PRO 658 2.648 -18.548 -0.061 99 H LEU 659 H LEU 659 2.590 -14.579 -3.965 100 HA LEU 659 HA LEU 659 3.038 -12.100 -2.790 101 1HB LEU 659 1HB LEU 659 3.091 -12.398 -5.179 102 2HB LEU 659 2HB LEU 659 1.381 -12.826 -5.200 103 HG LEU 659 HG LEU 659 1.006 -10.436 -4.293 104 1HD1 LEU 659 1HD1 LEU 659 3.883 -10.417 -4.974 105 2HD1 LEU 659 2HD1 LEU 659 2.991 -9.483 -3.773 106 3HD1 LEU 659 3HD1 LEU 659 2.933 -9.016 -5.473 107 1HD2 LEU 659 1HD2 LEU 659 0.815 -9.584 -6.515 108 2HD2 LEU 659 2HD2 LEU 659 0.429 -11.304 -6.563 109 3HD2 LEU 659 3HD2 LEU 659 2.004 -10.738 -7.119 110 H GLU 660 H GLU 660 -0.049 -13.745 -3.428 111 HA GLU 660 HA GLU 660 -1.776 -11.779 -2.510 112 1HB GLU 660 1HB GLU 660 -2.335 -13.997 -3.651 113 2HB GLU 660 2HB GLU 660 -2.233 -14.722 -2.053 114 1HG GLU 660 1HG GLU 660 -4.536 -14.082 -2.873 115 2HG GLU 660 2HG GLU 660 -4.082 -13.523 -1.264 116 H ALA 661 H ALA 661 0.051 -14.187 -0.711 117 HA ALA 661 HA ALA 661 -1.196 -13.776 1.795 118 1HB ALA 661 1HB ALA 661 1.273 -15.101 0.837 119 2HB ALA 661 2HB ALA 661 1.197 -14.672 2.547 120 3HB ALA 661 3HB ALA 661 -0.033 -15.724 1.846 121 H ARG 662 H ARG 662 2.138 -12.862 0.919 122 HA ARG 662 HA ARG 662 2.616 -11.117 2.985 123 1HB ARG 662 1HB ARG 662 4.221 -9.976 1.369 124 2HB ARG 662 2HB ARG 662 4.443 -11.704 1.611 125 1HG ARG 662 1HG ARG 662 2.849 -11.825 -0.502 126 2HG ARG 662 2HG ARG 662 3.529 -10.221 -0.785 127 1HD ARG 662 1HD ARG 662 5.791 -11.490 -0.258 128 2HD ARG 662 2HD ARG 662 4.853 -12.883 -0.794 129 HE ARG 662 HE ARG 662 4.563 -10.799 -2.657 130 1HH1 ARG 662 2HH1 ARG 662 6.944 -13.058 -1.495 131 2HH1 ARG 662 1HH1 ARG 662 7.812 -13.115 -2.994 132 1HH2 ARG 662 2HH2 ARG 662 5.697 -10.865 -4.635 133 2HH2 ARG 662 1HH2 ARG 662 7.102 -11.866 -4.779 134 H MET 663 H MET 663 1.167 -10.377 -0.170 135 HA MET 663 HA MET 663 0.908 -7.610 0.191 136 1HB MET 663 1HB MET 663 -0.519 -9.621 -1.518 137 2HB MET 663 2HB MET 663 -1.063 -7.949 -1.476 138 1HG MET 663 1HG MET 663 1.372 -7.356 -2.023 139 2HG MET 663 2HG MET 663 1.535 -9.054 -2.464 140 1HE MET 663 1HE MET 663 1.485 -5.962 -3.563 141 2HE MET 663 2HE MET 663 1.859 -6.690 -5.125 142 3HE MET 663 3HE MET 663 0.405 -5.709 -4.934 143 H LYS 664 H LYS 664 -1.333 -10.262 0.918 144 HA LYS 664 HA LYS 664 -3.528 -8.773 1.736 145 1HB LYS 664 1HB LYS 664 -2.501 -11.501 2.363 146 2HB LYS 664 2HB LYS 664 -3.801 -10.859 3.360 147 1HG LYS 664 1HG LYS 664 -4.037 -10.788 0.385 148 2HG LYS 664 2HG LYS 664 -4.355 -12.285 1.265 149 1HD LYS 664 1HD LYS 664 -5.663 -9.683 2.012 150 2HD LYS 664 2HD LYS 664 -6.347 -10.760 0.791 151 1HE LYS 664 1HE LYS 664 -5.609 -11.799 3.500 152 2HE LYS 664 2HE LYS 664 -7.139 -10.959 3.252 153 1HZ LYS 664 1HZ LYS 664 -7.259 -13.416 3.024 154 2HZ LYS 664 2HZ LYS 664 -6.275 -13.304 1.653 155 3HZ LYS 664 3HZ LYS 664 -7.801 -12.574 1.660 156 H GLN 665 H GLN 665 -0.717 -9.839 3.613 157 HA GLN 665 HA GLN 665 -1.567 -8.916 6.117 158 1HB GLN 665 1HB GLN 665 1.188 -9.314 4.956 159 2HB GLN 665 2HB GLN 665 0.922 -8.837 6.628 160 1HG GLN 665 1HG GLN 665 -0.650 -10.956 6.612 161 2HG GLN 665 2HG GLN 665 0.413 -11.433 5.288 162 1HE2 GLN 665 1HE2 GLN 665 2.581 -11.842 5.705 163 2HE2 GLN 665 2HE2 GLN 665 3.179 -12.098 7.305 164 H PHE 666 H PHE 666 0.796 -7.361 3.939 165 HA PHE 666 HA PHE 666 1.074 -4.969 5.254 166 1HB PHE 666 1HB PHE 666 2.247 -5.830 3.121 167 2HB PHE 666 2HB PHE 666 0.919 -5.069 2.251 168 HD1 PHE 666 1HD PHE 666 3.786 -4.453 4.478 169 HD2 PHE 666 2HD PHE 666 0.814 -2.718 1.974 170 HE1 PHE 666 1HE PHE 666 4.965 -2.295 4.579 171 HE2 PHE 666 2HE PHE 666 1.988 -0.558 2.070 172 HZ PHE 666 HZ PHE 666 4.067 -0.345 3.374 173 H LYS 667 H LYS 667 -1.271 -5.675 2.666 174 HA LYS 667 HA LYS 667 -2.572 -3.226 2.622 175 1HB LYS 667 1HB LYS 667 -2.850 -5.328 1.114 176 2HB LYS 667 2HB LYS 667 -4.085 -5.796 2.275 177 1HG LYS 667 1HG LYS 667 -5.440 -3.965 1.747 178 2HG LYS 667 2HG LYS 667 -4.122 -3.113 0.937 179 1HD LYS 667 1HD LYS 667 -4.117 -4.817 -0.827 180 2HD LYS 667 2HD LYS 667 -5.446 -5.653 -0.020 181 1HE LYS 667 1HE LYS 667 -6.603 -3.300 -0.203 182 2HE LYS 667 2HE LYS 667 -5.443 -3.069 -1.510 183 1HZ LYS 667 1HZ LYS 667 -7.478 -3.946 -2.389 184 2HZ LYS 667 2HZ LYS 667 -7.458 -5.240 -1.300 185 3HZ LYS 667 3HZ LYS 667 -6.283 -5.136 -2.513 186 H ASP 668 H ASP 668 -3.263 -6.080 4.615 187 HA ASP 668 HA ASP 668 -5.561 -5.236 5.885 188 1HB ASP 668 1HB ASP 668 -4.315 -7.475 6.091 189 2HB ASP 668 2HB ASP 668 -3.371 -6.691 7.355 190 H MET 669 H MET 669 -2.194 -4.540 6.754 191 HA MET 669 HA MET 669 -2.732 -3.115 9.115 192 1HB MET 669 1HB MET 669 -0.414 -2.377 7.377 193 2HB MET 669 2HB MET 669 -0.487 -2.548 9.126 194 1HG MET 669 1HG MET 669 -0.785 -5.032 8.725 195 2HG MET 669 2HG MET 669 -0.334 -4.709 7.053 196 1HE MET 669 1HE MET 669 1.430 -2.858 6.759 197 2HE MET 669 2HE MET 669 2.733 -2.503 7.893 198 3HE MET 669 3HE MET 669 2.916 -3.807 6.719 199 H LEU 670 H LEU 670 -1.784 -1.769 5.946 200 HA LEU 670 HA LEU 670 -2.112 0.869 6.333 201 1HB LEU 670 1HB LEU 670 -3.223 -0.599 3.946 202 2HB LEU 670 2HB LEU 670 -2.757 1.100 4.007 203 HG LEU 670 HG LEU 670 -0.833 -1.195 4.354 204 1HD1 LEU 670 1HD1 LEU 670 -0.143 -0.154 2.003 205 2HD1 LEU 670 2HD1 LEU 670 -1.876 0.164 1.941 206 3HD1 LEU 670 3HD1 LEU 670 -1.290 -1.486 2.154 207 1HD2 LEU 670 1HD2 LEU 670 0.614 0.366 4.974 208 2HD2 LEU 670 2HD2 LEU 670 -0.639 1.600 4.837 209 3HD2 LEU 670 3HD2 LEU 670 0.366 1.204 3.442 210 H LEU 671 H LEU 671 -4.740 -1.447 5.868 211 HA LEU 671 HA LEU 671 -6.797 0.548 5.936 212 1HB LEU 671 1HB LEU 671 -7.207 -1.485 4.744 213 2HB LEU 671 2HB LEU 671 -6.857 -2.453 6.174 214 HG LEU 671 HG LEU 671 -8.895 -1.504 7.242 215 1HD1 LEU 671 1HD1 LEU 671 -8.780 0.243 5.006 216 2HD1 LEU 671 2HD1 LEU 671 -9.910 0.255 6.359 217 3HD1 LEU 671 3HD1 LEU 671 -10.278 -0.682 4.911 218 1HD2 LEU 671 1HD2 LEU 671 -10.434 -2.643 5.356 219 2HD2 LEU 671 2HD2 LEU 671 -9.446 -3.560 6.493 220 3HD2 LEU 671 3HD2 LEU 671 -8.852 -3.246 4.862 221 H GLU 672 H GLU 672 -5.846 -2.039 8.204 222 HA GLU 672 HA GLU 672 -7.530 -1.268 10.298 223 1HB GLU 672 1HB GLU 672 -5.053 -2.910 10.084 224 2HB GLU 672 2HB GLU 672 -5.578 -2.417 11.688 225 1HG GLU 672 1HG GLU 672 -7.214 -3.964 9.690 226 2HG GLU 672 2HG GLU 672 -6.420 -4.622 11.119 227 H ARG 673 H ARG 673 -3.996 -0.782 10.185 228 HA ARG 673 HA ARG 673 -3.604 0.847 12.290 229 1HB ARG 673 1HB ARG 673 -2.406 1.074 9.530 230 2HB ARG 673 2HB ARG 673 -1.836 2.021 10.897 231 1HG ARG 673 1HG ARG 673 -1.894 -0.987 10.795 232 2HG ARG 673 2HG ARG 673 -0.476 0.013 10.471 233 1HD ARG 673 1HD ARG 673 -0.168 -0.530 12.690 234 2HD ARG 673 2HD ARG 673 -0.992 1.023 12.813 235 HE ARG 673 HE ARG 673 -2.673 -0.053 13.900 236 1HH1 ARG 673 2HH1 ARG 673 -1.009 -2.367 11.901 237 2HH1 ARG 673 1HH1 ARG 673 -1.960 -3.712 12.440 238 1HH2 ARG 673 2HH2 ARG 673 -3.932 -1.815 14.617 239 2HH2 ARG 673 1HH2 ARG 673 -3.623 -3.396 13.984 240 H GLY 674 H GLY 674 -5.331 1.667 9.391 241 1HA GLY 674 1HA GLY 674 -6.863 3.415 9.159 242 2HA GLY 674 2HA GLY 674 -6.227 4.137 10.630 243 H VAL 675 H VAL 675 -4.285 3.143 7.871 244 HA VAL 675 HA VAL 675 -2.864 5.553 7.738 245 HB VAL 675 HB VAL 675 -3.239 3.414 5.640 246 1HG1 VAL 675 1HG1 VAL 675 -0.826 4.763 5.206 247 2HG1 VAL 675 2HG1 VAL 675 -2.267 4.787 4.188 248 3HG1 VAL 675 3HG1 VAL 675 -2.042 6.020 5.429 249 1HG2 VAL 675 1HG2 VAL 675 -2.139 2.488 7.508 250 2HG2 VAL 675 2HG2 VAL 675 -0.861 2.879 6.357 251 3HG2 VAL 675 3HG2 VAL 675 -1.152 3.930 7.742 252 H SER 676 H SER 676 -4.038 7.395 7.513 253 HA SER 676 HA SER 676 -6.318 7.835 6.047 254 1HB SER 676 1HB SER 676 -4.052 9.622 6.861 255 2HB SER 676 2HB SER 676 -5.328 10.254 5.821 256 HG SER 676 HG SER 676 -5.377 9.963 8.442 257 H ALA 677 H ALA 677 -6.750 8.718 3.985 258 HA ALA 677 HA ALA 677 -4.961 7.745 1.931 259 1HB ALA 677 1HB ALA 677 -6.811 8.622 0.409 260 2HB ALA 677 2HB ALA 677 -7.218 7.291 1.493 261 3HB ALA 677 3HB ALA 677 -7.717 8.935 1.890 262 H PHE 678 H PHE 678 -5.826 10.779 3.376 263 HA PHE 678 HA PHE 678 -4.391 12.255 1.285 264 1HB PHE 678 1HB PHE 678 -6.144 13.263 3.536 265 2HB PHE 678 2HB PHE 678 -5.367 14.276 2.324 266 HD1 PHE 678 1HD PHE 678 -6.135 14.254 0.008 267 HD2 PHE 678 2HD PHE 678 -8.094 11.974 3.021 268 HE1 PHE 678 1HE PHE 678 -8.081 13.976 -1.472 269 HE2 PHE 678 2HE PHE 678 -10.042 11.692 1.546 270 HZ PHE 678 HZ PHE 678 -10.037 12.693 -0.704 271 H SER 679 H SER 679 -2.718 10.751 2.777 272 HA SER 679 HA SER 679 -1.412 12.730 4.526 273 1HB SER 679 1HB SER 679 -1.906 9.815 4.937 274 2HB SER 679 2HB SER 679 -0.408 10.501 5.563 275 HG SER 679 HG SER 679 -1.882 10.740 7.170 276 H THR 680 H THR 680 0.993 11.690 4.928 277 HA THR 680 HA THR 680 2.122 11.489 2.218 278 HB THR 680 HB THR 680 4.255 12.269 3.276 279 HG1 THR 680 1HG THR 680 4.318 12.392 5.380 280 1HG2 THR 680 1HG2 THR 680 3.630 14.290 2.578 281 2HG2 THR 680 2HG2 THR 680 2.641 14.514 4.020 282 3HG2 THR 680 3HG2 THR 680 1.952 13.747 2.590 283 H TRP 681 H TRP 681 3.766 10.000 1.776 284 HA TRP 681 HA TRP 681 3.508 7.476 2.952 285 1HB TRP 681 1HB TRP 681 4.332 7.475 0.760 286 2HB TRP 681 2HB TRP 681 5.547 8.699 1.116 287 HD1 TRP 681 HD TRP 681 7.926 7.810 1.432 288 HE1 TRP 681 1HE TRP 681 8.988 5.515 1.910 289 HE3 TRP 681 3HE TRP 681 3.664 5.076 2.133 290 HZ2 TRP 681 2HZ TRP 681 8.132 2.892 2.505 291 HZ3 TRP 681 3HZ TRP 681 3.873 2.680 2.652 292 HH2 TRP 681 HH TRP 681 6.061 1.612 2.833 293 H GLU 682 H GLU 682 5.583 10.165 3.718 294 HA GLU 682 HA GLU 682 7.528 8.799 5.228 295 1HB GLU 682 1HB GLU 682 6.535 11.639 5.243 296 2HB GLU 682 2HB GLU 682 7.772 11.095 6.368 297 1HG GLU 682 1HG GLU 682 9.136 10.372 4.418 298 2HG GLU 682 2HG GLU 682 7.930 11.109 3.365 299 H LYS 683 H LYS 683 4.618 10.561 6.291 300 HA LYS 683 HA LYS 683 4.827 9.963 9.011 301 1HB LYS 683 1HB LYS 683 2.622 10.808 7.198 302 2HB LYS 683 2HB LYS 683 2.179 10.191 8.784 303 1HG LYS 683 1HG LYS 683 3.120 11.959 9.890 304 2HG LYS 683 2HG LYS 683 4.287 12.283 8.606 305 1HD LYS 683 1HD LYS 683 2.843 14.047 8.326 306 2HD LYS 683 2HD LYS 683 2.132 12.865 7.225 307 1HE LYS 683 1HE LYS 683 0.324 13.732 8.452 308 2HE LYS 683 2HE LYS 683 0.663 12.161 9.177 309 1HZ LYS 683 1HZ LYS 683 0.294 14.163 10.709 310 2HZ LYS 683 2HZ LYS 683 1.866 14.618 10.280 311 3HZ LYS 683 3HZ LYS 683 1.594 13.133 11.044 312 H GLU 684 H GLU 684 2.710 8.393 6.602 313 HA GLU 684 HA GLU 684 1.791 6.334 8.223 314 1HB GLU 684 1HB GLU 684 2.280 6.294 5.240 315 2HB GLU 684 2HB GLU 684 1.308 5.122 6.119 316 1HG GLU 684 1HG GLU 684 0.747 8.048 5.731 317 2HG GLU 684 2HG GLU 684 -0.167 6.679 5.101 318 H LEU 685 H LEU 685 4.748 6.572 6.332 319 HA LEU 685 HA LEU 685 5.610 3.938 6.410 320 1HB LEU 685 1HB LEU 685 6.857 5.376 5.075 321 2HB LEU 685 2HB LEU 685 7.044 6.563 6.363 322 HG LEU 685 HG LEU 685 8.469 4.661 7.481 323 1HD1 LEU 685 1HD1 LEU 685 8.049 3.706 4.743 324 2HD1 LEU 685 2HD1 LEU 685 8.538 2.829 6.193 325 3HD1 LEU 685 3HD1 LEU 685 9.734 3.732 5.263 326 1HD2 LEU 685 1HD2 LEU 685 9.189 6.936 6.670 327 2HD2 LEU 685 2HD2 LEU 685 9.616 6.167 5.141 328 3HD2 LEU 685 3HD2 LEU 685 10.429 5.683 6.630 329 H HIS 686 H HIS 686 6.685 6.515 8.635 330 HA HIS 686 HA HIS 686 7.968 4.849 10.460 331 1HB HIS 686 1HB HIS 686 8.072 6.705 11.904 332 2HB HIS 686 2HB HIS 686 8.024 7.411 10.291 333 HD1 HIS 686 1HD HIS 686 6.337 9.192 9.964 334 HD2 HIS 686 2HD HIS 686 5.378 6.716 13.159 335 HE1 HIS 686 1HE HIS 686 4.288 10.208 11.010 336 H LYS 687 H LYS 687 4.593 5.609 10.075 337 HA LYS 687 HA LYS 687 3.712 4.741 12.627 338 1HB LYS 687 1HB LYS 687 2.356 5.167 9.980 339 2HB LYS 687 2HB LYS 687 1.481 4.462 11.333 340 1HG LYS 687 1HG LYS 687 1.988 6.453 12.677 341 2HG LYS 687 2HG LYS 687 2.815 7.162 11.288 342 1HD LYS 687 1HD LYS 687 0.505 6.627 10.107 343 2HD LYS 687 2HD LYS 687 -0.090 6.737 11.765 344 1HE LYS 687 1HE LYS 687 1.242 8.951 11.844 345 2HE LYS 687 2HE LYS 687 1.228 8.839 10.085 346 1HZ LYS 687 1HZ LYS 687 -0.897 9.533 11.893 347 2HZ LYS 687 2HZ LYS 687 -1.353 8.379 10.744 348 3HZ LYS 687 3HZ LYS 687 -0.728 9.870 10.244 349 H ILE 688 H ILE 688 4.374 3.104 9.609 350 HA ILE 688 HA ILE 688 3.533 0.560 10.836 351 HB ILE 688 HB ILE 688 3.324 -0.358 8.592 352 1HG1 ILE 688 1HG1 ILE 688 3.722 2.365 7.403 353 2HG1 ILE 688 2HG1 ILE 688 5.119 1.343 7.721 354 1HG2 ILE 688 1HG2 ILE 688 1.221 0.336 8.717 355 2HG2 ILE 688 2HG2 ILE 688 1.713 1.725 9.684 356 3HG2 ILE 688 3HG2 ILE 688 1.686 1.841 7.925 357 1HD1 ILE 688 1HD1 ILE 688 3.069 1.146 5.645 358 2HD1 ILE 688 2HD1 ILE 688 4.744 0.591 5.652 359 3HD1 ILE 688 3HD1 ILE 688 3.488 -0.384 6.416 360 H VAL 689 H VAL 689 6.186 2.267 10.643 361 HA VAL 689 HA VAL 689 8.060 0.554 9.362 362 HB VAL 689 HB VAL 689 8.434 2.989 9.862 363 1HG1 VAL 689 1HG1 VAL 689 9.416 2.272 12.566 364 2HG1 VAL 689 2HG1 VAL 689 8.768 3.798 11.961 365 3HG1 VAL 689 3HG1 VAL 689 7.676 2.471 12.358 366 1HG2 VAL 689 1HG2 VAL 689 10.653 1.356 11.038 367 2HG2 VAL 689 2HG2 VAL 689 10.217 1.197 9.336 368 3HG2 VAL 689 3HG2 VAL 689 10.746 2.756 9.969 369 H PHE 690 H PHE 690 6.577 0.583 12.485 370 HA PHE 690 HA PHE 690 8.556 -1.090 13.743 371 1HB PHE 690 1HB PHE 690 7.238 -0.956 15.683 372 2HB PHE 690 2HB PHE 690 6.988 0.598 14.895 373 HD1 PHE 690 1HD PHE 690 5.482 -2.685 15.598 374 HD2 PHE 690 2HD PHE 690 4.851 1.244 14.087 375 HE1 PHE 690 1HE PHE 690 3.051 -3.065 15.633 376 HE2 PHE 690 2HE PHE 690 2.420 0.870 14.120 377 HZ PHE 690 HZ PHE 690 1.517 -1.286 14.894 378 H ASP 691 H ASP 691 5.193 -1.545 12.665 379 HA ASP 691 HA ASP 691 4.612 -4.074 13.263 380 1HB ASP 691 1HB ASP 691 3.384 -2.460 11.666 381 2HB ASP 691 2HB ASP 691 4.324 -3.229 10.390 382 HA PRO 692 HA PRO 692 7.811 -6.727 11.800 383 1HB PRO 692 1HB PRO 692 6.445 -9.073 11.853 384 2HB PRO 692 2HB PRO 692 7.015 -8.261 13.315 385 1HG PRO 692 1HG PRO 692 4.285 -8.254 12.088 386 2HG PRO 692 2HG PRO 692 4.745 -8.408 13.793 387 1HD PRO 692 1HD PRO 692 3.871 -6.078 12.726 388 2HD PRO 692 2HD PRO 692 5.057 -6.139 14.045 389 H ARG 693 H ARG 693 4.591 -6.984 10.331 390 HA ARG 693 HA ARG 693 5.407 -8.392 8.022 391 1HB ARG 693 1HB ARG 693 3.052 -6.515 8.253 392 2HB ARG 693 2HB ARG 693 3.246 -7.842 7.115 393 1HG ARG 693 1HG ARG 693 2.879 -9.458 8.743 394 2HG ARG 693 2HG ARG 693 3.234 -8.343 10.064 395 1HD ARG 693 1HD ARG 693 0.941 -7.715 8.282 396 2HD ARG 693 2HD ARG 693 0.754 -9.035 9.435 397 HE ARG 693 HE ARG 693 1.793 -6.687 10.670 398 1HH1 ARG 693 2HH1 ARG 693 -1.132 -8.176 9.508 399 2HH1 ARG 693 1HH1 ARG 693 -2.163 -7.296 10.588 400 1HH2 ARG 693 2HH2 ARG 693 0.446 -5.523 12.096 401 2HH2 ARG 693 1HH2 ARG 693 -1.264 -5.787 12.058 402 H TYR 694 H TYR 694 5.575 -5.059 8.922 403 HA TYR 694 HA TYR 694 5.657 -3.822 6.423 404 1HB TYR 694 1HB TYR 694 5.527 -2.349 8.224 405 2HB TYR 694 2HB TYR 694 6.823 -3.152 9.104 406 HD1 TYR 694 1HD TYR 694 8.988 -2.289 9.034 407 HD2 TYR 694 2HD TYR 694 6.183 -1.093 6.066 408 HE1 TYR 694 1HE TYR 694 10.594 -0.626 8.195 409 HE2 TYR 694 2HE TYR 694 7.781 0.572 5.218 410 HH TYR 694 HH TYR 694 10.737 1.308 6.905 411 H LEU 695 H LEU 695 7.773 -6.085 7.725 412 HA LEU 695 HA LEU 695 9.932 -5.252 5.903 413 1HB LEU 695 1HB LEU 695 10.132 -7.031 8.327 414 2HB LEU 695 2HB LEU 695 11.467 -6.496 7.309 415 HG LEU 695 HG LEU 695 9.762 -4.601 8.912 416 1HD1 LEU 695 1HD1 LEU 695 12.445 -5.074 9.908 417 2HD1 LEU 695 2HD1 LEU 695 11.432 -6.515 9.991 418 3HD1 LEU 695 3HD1 LEU 695 10.908 -5.023 10.772 419 1HD2 LEU 695 1HD2 LEU 695 12.529 -4.278 7.763 420 2HD2 LEU 695 2HD2 LEU 695 11.534 -3.038 8.528 421 3HD2 LEU 695 3HD2 LEU 695 11.055 -3.718 6.972 422 H LEU 696 H LEU 696 7.489 -6.857 5.333 423 HA LEU 696 HA LEU 696 8.756 -9.400 4.563 424 1HB LEU 696 1HB LEU 696 5.847 -8.682 4.887 425 2HB LEU 696 2HB LEU 696 6.431 -10.229 4.277 426 HG LEU 696 HG LEU 696 6.978 -9.147 7.041 427 1HD1 LEU 696 1HD1 LEU 696 5.219 -11.487 6.492 428 2HD1 LEU 696 2HD1 LEU 696 4.560 -9.860 6.320 429 3HD1 LEU 696 3HD1 LEU 696 5.232 -10.380 7.865 430 1HD2 LEU 696 1HD2 LEU 696 7.563 -11.791 5.718 431 2HD2 LEU 696 2HD2 LEU 696 7.664 -11.513 7.457 432 3HD2 LEU 696 3HD2 LEU 696 8.724 -10.628 6.359 433 H LEU 697 H LEU 697 7.139 -6.551 3.397 434 HA LEU 697 HA LEU 697 7.178 -7.597 0.655 435 1HB LEU 697 1HB LEU 697 5.698 -5.367 1.995 436 2HB LEU 697 2HB LEU 697 5.894 -5.387 0.243 437 HG LEU 697 HG LEU 697 4.552 -7.552 1.861 438 1HD1 LEU 697 1HD1 LEU 697 3.148 -5.699 -0.015 439 2HD1 LEU 697 2HD1 LEU 697 3.452 -5.208 1.651 440 3HD1 LEU 697 3HD1 LEU 697 2.498 -6.653 1.319 441 1HD2 LEU 697 1HD2 LEU 697 4.885 -7.121 -1.103 442 2HD2 LEU 697 2HD2 LEU 697 3.755 -8.275 -0.393 443 3HD2 LEU 697 3HD2 LEU 697 5.490 -8.468 -0.138 444 H ASN 698 H ASN 698 8.384 -6.670 -0.936 445 HA ASN 698 HA ASN 698 10.775 -5.448 -0.385 446 1HB ASN 698 1HB ASN 698 9.090 -5.701 -2.817 447 2HB ASN 698 2HB ASN 698 10.380 -4.503 -2.869 448 1HD2 ASN 698 1HD2 ASN 698 11.253 -5.859 -4.553 449 2HD2 ASN 698 2HD2 ASN 698 12.204 -7.237 -4.128 450 HA PRO 699 HA PRO 699 10.132 -1.183 0.418 451 1HB PRO 699 1HB PRO 699 12.127 0.008 -0.986 452 2HB PRO 699 2HB PRO 699 12.415 -0.936 0.480 453 1HG PRO 699 1HG PRO 699 12.713 -1.750 -2.385 454 2HG PRO 699 2HG PRO 699 13.787 -2.076 -1.012 455 1HD PRO 699 1HD PRO 699 12.043 -3.914 -1.967 456 2HD PRO 699 2HD PRO 699 12.489 -3.823 -0.251 457 H LYS 700 H LYS 700 10.550 -1.986 -3.003 458 HA LYS 700 HA LYS 700 9.411 0.440 -3.980 459 1HB LYS 700 1HB LYS 700 10.967 -1.208 -5.206 460 2HB LYS 700 2HB LYS 700 9.514 -2.151 -5.509 461 1HG LYS 700 1HG LYS 700 9.801 -0.855 -7.429 462 2HG LYS 700 2HG LYS 700 8.538 -0.026 -6.515 463 1HD LYS 700 1HD LYS 700 10.201 1.544 -5.644 464 2HD LYS 700 2HD LYS 700 11.466 0.711 -6.551 465 1HE LYS 700 1HE LYS 700 9.042 1.902 -7.873 466 2HE LYS 700 2HE LYS 700 10.514 2.828 -7.586 467 1HZ LYS 700 1HZ LYS 700 10.594 0.243 -9.011 468 2HZ LYS 700 2HZ LYS 700 11.722 1.503 -9.040 469 3HZ LYS 700 3HZ LYS 700 10.237 1.679 -9.832 470 H GLU 701 H GLU 701 8.171 -2.831 -3.428 471 HA GLU 701 HA GLU 701 5.627 -2.476 -4.540 472 1HB GLU 701 1HB GLU 701 6.705 -4.303 -2.412 473 2HB GLU 701 2HB GLU 701 4.996 -4.312 -2.824 474 1HG GLU 701 1HG GLU 701 5.749 -4.674 -5.230 475 2HG GLU 701 2HG GLU 701 7.335 -5.036 -4.551 476 H ARG 702 H ARG 702 6.688 -2.138 -1.157 477 HA ARG 702 HA ARG 702 4.429 -1.537 0.162 478 1HB ARG 702 1HB ARG 702 7.148 -0.278 0.327 479 2HB ARG 702 2HB ARG 702 5.846 0.289 1.365 480 1HG ARG 702 1HG ARG 702 5.765 -1.666 2.566 481 2HG ARG 702 2HG ARG 702 6.445 -2.626 1.251 482 1HD ARG 702 1HD ARG 702 8.009 -2.326 3.142 483 2HD ARG 702 2HD ARG 702 8.627 -1.676 1.623 484 HE ARG 702 HE ARG 702 7.277 0.236 3.320 485 1HH1 ARG 702 2HH1 ARG 702 10.303 -1.232 2.423 486 2HH1 ARG 702 1HH1 ARG 702 11.266 0.078 3.020 487 1HH2 ARG 702 2HH2 ARG 702 8.533 1.968 4.111 488 2HH2 ARG 702 1HH2 ARG 702 10.258 1.898 3.981 489 H LYS 703 H LYS 703 6.256 0.840 -1.760 490 HA LYS 703 HA LYS 703 4.415 2.954 -1.393 491 1HB LYS 703 1HB LYS 703 6.782 3.238 -2.116 492 2HB LYS 703 2HB LYS 703 6.354 2.552 -3.678 493 1HG LYS 703 1HG LYS 703 6.299 4.823 -4.082 494 2HG LYS 703 2HG LYS 703 4.603 4.447 -3.771 495 1HD LYS 703 1HD LYS 703 4.826 5.229 -1.482 496 2HD LYS 703 2HD LYS 703 6.546 5.535 -1.733 497 1HE LYS 703 1HE LYS 703 4.458 6.841 -3.446 498 2HE LYS 703 2HE LYS 703 4.916 7.518 -1.884 499 1HZ LYS 703 1HZ LYS 703 6.170 7.965 -4.268 500 2HZ LYS 703 2HZ LYS 703 7.190 6.867 -3.484 501 3HZ LYS 703 3HZ LYS 703 6.786 8.329 -2.734 502 H GLN 704 H GLN 704 4.868 0.628 -4.040 503 HA GLN 704 HA GLN 704 2.915 1.589 -5.770 504 1HB GLN 704 1HB GLN 704 4.141 -1.100 -5.314 505 2HB GLN 704 2HB GLN 704 2.768 -0.960 -6.403 506 1HG GLN 704 1HG GLN 704 5.060 0.896 -6.765 507 2HG GLN 704 2HG GLN 704 5.240 -0.783 -7.273 508 1HE2 GLN 704 1HE2 GLN 704 3.494 -1.618 -8.695 509 2HE2 GLN 704 2HE2 GLN 704 2.851 -0.548 -9.889 510 H VAL 705 H VAL 705 2.562 -1.153 -3.511 511 HA VAL 705 HA VAL 705 -0.181 -1.493 -3.807 512 HB VAL 705 HB VAL 705 1.496 -2.012 -1.348 513 1HG1 VAL 705 1HG1 VAL 705 -0.259 -3.012 -0.352 514 2HG1 VAL 705 2HG1 VAL 705 -1.209 -1.967 -1.411 515 3HG1 VAL 705 3HG1 VAL 705 -0.896 -3.641 -1.871 516 1HG2 VAL 705 1HG2 VAL 705 1.466 -4.361 -2.215 517 2HG2 VAL 705 2HG2 VAL 705 0.773 -3.737 -3.712 518 3HG2 VAL 705 3HG2 VAL 705 2.383 -3.225 -3.205 519 H PHE 706 H PHE 706 1.613 0.585 -1.577 520 HA PHE 706 HA PHE 706 -0.549 1.458 -0.027 521 1HB PHE 706 1HB PHE 706 1.555 1.975 0.850 522 2HB PHE 706 2HB PHE 706 2.139 2.625 -0.679 523 HD1 PHE 706 1HD PHE 706 2.229 4.908 -0.966 524 HD2 PHE 706 2HD PHE 706 -0.407 3.290 1.958 525 HE1 PHE 706 1HE PHE 706 1.677 7.183 -0.209 526 HE2 PHE 706 2HE PHE 706 -0.964 5.562 2.719 527 HZ PHE 706 HZ PHE 706 0.078 7.513 1.635 528 H ASP 707 H ASP 707 0.840 2.774 -3.008 529 HA ASP 707 HA ASP 707 -0.715 5.084 -3.198 530 1HB ASP 707 1HB ASP 707 1.285 4.465 -4.618 531 2HB ASP 707 2HB ASP 707 0.209 3.423 -5.545 532 H GLN 708 H GLN 708 -1.317 1.837 -4.513 533 HA GLN 708 HA GLN 708 -3.750 2.425 -5.776 534 1HB GLN 708 1HB GLN 708 -2.934 -0.215 -4.554 535 2HB GLN 708 2HB GLN 708 -4.129 0.031 -5.821 536 1HG GLN 708 1HG GLN 708 -2.428 0.733 -7.364 537 2HG GLN 708 2HG GLN 708 -1.204 0.678 -6.097 538 1HE2 GLN 708 1HE2 GLN 708 -0.101 -1.141 -5.831 539 2HE2 GLN 708 2HE2 GLN 708 -0.490 -2.665 -6.545 540 H TYR 709 H TYR 709 -3.065 1.219 -2.511 541 HA TYR 709 HA TYR 709 -5.674 0.808 -1.650 542 1HB TYR 709 1HB TYR 709 -3.978 0.009 -0.234 543 2HB TYR 709 2HB TYR 709 -3.149 1.561 -0.200 544 HD1 TYR 709 1HD TYR 709 -5.663 -0.519 1.347 545 HD2 TYR 709 2HD TYR 709 -4.145 3.449 1.112 546 HE1 TYR 709 1HE TYR 709 -6.815 0.040 3.447 547 HE2 TYR 709 2HE TYR 709 -5.292 4.018 3.212 548 HH TYR 709 HH TYR 709 -7.085 3.283 4.588 549 H VAL 710 H VAL 710 -3.707 3.757 -1.538 550 HA VAL 710 HA VAL 710 -5.573 5.368 -0.184 551 HB VAL 710 HB VAL 710 -3.431 6.185 -2.153 552 1HG1 VAL 710 1HG1 VAL 710 -4.619 7.949 -0.041 553 2HG1 VAL 710 2HG1 VAL 710 -3.684 8.398 -1.468 554 3HG1 VAL 710 3HG1 VAL 710 -5.345 7.830 -1.643 555 1HG2 VAL 710 1HG2 VAL 710 -3.180 5.029 0.357 556 2HG2 VAL 710 2HG2 VAL 710 -1.933 5.912 -0.525 557 3HG2 VAL 710 3HG2 VAL 710 -2.949 6.754 0.645 558 H LYS 711 H LYS 711 -4.885 5.079 -3.668 559 HA LYS 711 HA LYS 711 -6.665 6.869 -4.702 560 1HB LYS 711 1HB LYS 711 -5.666 4.222 -5.663 561 2HB LYS 711 2HB LYS 711 -6.944 5.021 -6.569 562 1HG LYS 711 1HG LYS 711 -5.586 6.745 -7.233 563 2HG LYS 711 2HG LYS 711 -4.499 6.565 -5.854 564 1HD LYS 711 1HD LYS 711 -3.289 5.793 -7.727 565 2HD LYS 711 2HD LYS 711 -3.813 4.343 -6.868 566 1HE LYS 711 1HE LYS 711 -4.159 4.035 -9.232 567 2HE LYS 711 2HE LYS 711 -5.723 4.159 -8.429 568 1HZ LYS 711 1HZ LYS 711 -4.716 6.691 -9.324 569 2HZ LYS 711 2HZ LYS 711 -6.232 5.983 -9.574 570 3HZ LYS 711 3HZ LYS 711 -4.938 5.594 -10.593 571 H THR 712 H THR 712 -7.373 3.506 -3.794 572 HA THR 712 HA THR 712 -10.107 3.579 -4.492 573 HB THR 712 HB THR 712 -10.244 1.631 -2.787 574 HG1 THR 712 1HG THR 712 -8.422 1.881 -1.588 575 1HG2 THR 712 1HG2 THR 712 -8.230 0.855 -4.770 576 2HG2 THR 712 2HG2 THR 712 -9.591 1.755 -5.439 577 3HG2 THR 712 3HG2 THR 712 -9.875 0.267 -4.537 578 H ARG 713 H ARG 713 -8.446 4.052 -1.386 579 HA ARG 713 HA ARG 713 -10.718 4.401 0.204 580 1HB ARG 713 1HB ARG 713 -7.896 5.426 0.453 581 2HB ARG 713 2HB ARG 713 -9.120 5.768 1.668 582 1HG ARG 713 1HG ARG 713 -8.602 2.949 0.835 583 2HG ARG 713 2HG ARG 713 -7.518 3.752 1.973 584 1HD ARG 713 1HD ARG 713 -9.005 2.843 3.445 585 2HD ARG 713 2HD ARG 713 -9.797 4.390 3.145 586 HE ARG 713 HE ARG 713 -11.494 3.283 2.060 587 1HH1 ARG 713 2HH1 ARG 713 -8.819 1.114 2.571 588 2HH1 ARG 713 1HH1 ARG 713 -9.702 -0.297 2.091 589 1HH2 ARG 713 2HH2 ARG 713 -12.667 1.432 1.426 590 2HH2 ARG 713 1HH2 ARG 713 -11.891 -0.115 1.439 591 H ALA 714 H ALA 714 -9.296 6.460 -2.145 592 HA ALA 714 HA ALA 714 -10.527 8.879 -1.121 593 1HB ALA 714 1HB ALA 714 -8.394 9.154 -2.149 594 2HB ALA 714 2HB ALA 714 -8.924 8.316 -3.608 595 3HB ALA 714 3HB ALA 714 -9.593 9.898 -3.207 596 H GLU 715 H GLU 715 -10.739 7.079 -4.200 597 HA GLU 715 HA GLU 715 -12.871 8.345 -5.340 598 1HB GLU 715 1HB GLU 715 -13.080 6.531 -6.758 599 2HB GLU 715 2HB GLU 715 -11.444 6.314 -6.151 600 1HG GLU 715 1HG GLU 715 -12.236 4.671 -4.547 601 2HG GLU 715 2HG GLU 715 -13.891 4.908 -5.105 602 H GLU 716 H GLU 716 -12.929 5.973 -2.753 603 HA GLU 716 HA GLU 716 -15.832 5.871 -2.743 604 1HB GLU 716 1HB GLU 716 -13.638 4.400 -1.388 605 2HB GLU 716 2HB GLU 716 -15.162 4.522 -0.520 606 1HG GLU 716 1HG GLU 716 -14.991 3.542 -3.351 607 2HG GLU 716 2HG GLU 716 -14.829 2.473 -1.958 608 H GLU 717 H GLU 717 -14.493 8.411 -2.216 609 HA GLU 717 HA GLU 717 -14.347 9.118 0.455 610 1HB GLU 717 1HB GLU 717 -13.832 10.501 -1.671 611 2HB GLU 717 2HB GLU 717 -15.524 10.970 -1.597 612 1HG GLU 717 1HG GLU 717 -14.942 11.592 0.870 613 2HG GLU 717 2HG GLU 717 -13.291 11.635 0.255 614 H ARG 718 H ARG 718 -15.963 8.054 1.631 615 HA ARG 718 HA ARG 718 -18.735 8.845 1.114 616 1HB ARG 718 1HB ARG 718 -17.428 6.594 2.565 617 2HB ARG 718 2HB ARG 718 -19.010 7.122 3.123 618 1HG ARG 718 1HG ARG 718 -18.460 6.412 0.258 619 2HG ARG 718 2HG ARG 718 -18.972 5.224 1.459 620 1HD ARG 718 1HD ARG 718 -20.533 7.746 1.124 621 2HD ARG 718 2HD ARG 718 -20.734 6.442 -0.046 622 HE ARG 718 HE ARG 718 -21.783 6.534 2.587 623 1HH1 ARG 718 2HH1 ARG 718 -20.429 4.357 0.232 624 2HH1 ARG 718 1HH1 ARG 718 -21.261 2.967 0.845 625 1HH2 ARG 718 2HH2 ARG 718 -22.885 4.711 3.404 626 2HH2 ARG 718 1HH2 ARG 718 -22.659 3.170 2.649 627 H ARG 719 H ARG 719 -20.096 9.417 2.987 628 HA ARG 719 HA ARG 719 -18.573 11.013 4.940 629 1HB ARG 719 1HB ARG 719 -21.182 11.519 3.543 630 2HB ARG 719 2HB ARG 719 -20.828 12.297 5.080 631 1HG ARG 719 1HG ARG 719 -18.894 12.475 2.807 632 2HG ARG 719 2HG ARG 719 -20.297 13.543 2.889 633 1HD ARG 719 1HD ARG 719 -18.152 13.245 4.990 634 2HD ARG 719 2HD ARG 719 -18.340 14.601 3.880 635 HE ARG 719 HE ARG 719 -20.718 14.533 5.152 636 1HH1 ARG 719 2HH1 ARG 719 -17.423 14.548 6.276 637 2HH1 ARG 719 1HH1 ARG 719 -17.792 15.379 7.751 638 1HH2 ARG 719 2HH2 ARG 719 -21.217 15.627 7.090 639 2HH2 ARG 719 1HH2 ARG 719 -19.951 15.992 8.213 640 H SER 720 H SER 720 -21.589 9.179 4.502 641 HA SER 720 HA SER 720 -21.563 8.621 7.396 642 1HB SER 720 1HB SER 720 -23.517 9.933 6.800 643 2HB SER 720 2HB SER 720 -23.919 8.808 5.503 644 HG SER 720 HG SER 720 -24.455 7.279 6.993 645 H GLY 721 H GLY 721 -22.050 6.520 8.096 646 1HA GLY 721 1HA GLY 721 -22.720 4.245 7.628 647 2HA GLY 721 2HA GLY 721 -22.118 4.457 5.991 648 HA PRO 722 HA PRO 722 -18.849 2.800 9.126 649 1HB PRO 722 1HB PRO 722 -19.313 0.127 9.031 650 2HB PRO 722 2HB PRO 722 -20.048 1.188 10.239 651 1HG PRO 722 1HG PRO 722 -21.214 0.115 7.699 652 2HG PRO 722 2HG PRO 722 -21.960 0.253 9.302 653 1HD PRO 722 1HD PRO 722 -22.442 2.026 7.312 654 2HD PRO 722 2HD PRO 722 -22.436 2.492 9.025 655 H SER 723 H SER 723 -16.894 2.120 8.359 656 HA SER 723 HA SER 723 -16.793 1.409 5.513 657 1HB SER 723 1HB SER 723 -15.526 3.433 6.565 658 2HB SER 723 2HB SER 723 -14.390 2.208 7.129 659 HG SER 723 HG SER 723 -14.478 1.524 4.781 660 H SER 724 H SER 724 -15.447 0.492 8.663 661 HA SER 724 HA SER 724 -14.158 -1.851 7.575 662 1HB SER 724 1HB SER 724 -13.497 -2.299 9.902 663 2HB SER 724 2HB SER 724 -13.137 -0.632 9.451 664 HG SER 724 HG SER 724 -15.327 -0.217 10.423 665 H GLY 725 H GLY 725 -16.040 -2.876 6.664 666 1HA GLY 725 1HA GLY 725 -17.453 -4.486 8.675 667 2HA GLY 725 2HA GLY 725 -18.397 -3.617 7.474 Start of MODEL 16 1 1H GLY 644 H GLY 644 -6.140 -43.556 17.084 2 1HA GLY 644 1HA GLY 644 -6.830 -41.058 15.661 3 2HA GLY 644 2HA GLY 644 -7.177 -41.332 17.362 4 H SER 645 H SER 645 -4.810 -40.387 15.041 5 HA SER 645 HA SER 645 -2.507 -40.515 16.669 6 1HB SER 645 1HB SER 645 -3.228 -38.974 14.191 7 2HB SER 645 2HB SER 645 -1.702 -38.671 15.020 8 HG SER 645 HG SER 645 -0.979 -40.372 14.044 9 H SER 646 H SER 646 -1.377 -38.824 17.732 10 HA SER 646 HA SER 646 -3.176 -36.791 18.851 11 1HB SER 646 1HB SER 646 -0.598 -37.986 19.883 12 2HB SER 646 2HB SER 646 -1.400 -36.611 20.643 13 HG SER 646 HG SER 646 -3.182 -37.914 21.044 14 H GLY 647 H GLY 647 -2.998 -35.306 17.126 15 1HA GLY 647 1HA GLY 647 -2.149 -33.367 16.220 16 2HA GLY 647 2HA GLY 647 -0.855 -33.449 17.407 17 H SER 648 H SER 648 0.811 -32.928 16.041 18 HA SER 648 HA SER 648 2.248 -33.091 14.248 19 1HB SER 648 1HB SER 648 2.059 -35.918 15.303 20 2HB SER 648 2HB SER 648 3.270 -35.405 14.127 21 HG SER 648 HG SER 648 3.854 -35.334 16.451 22 H SER 649 H SER 649 -0.185 -32.853 13.162 23 HA SER 649 HA SER 649 -0.221 -34.883 11.024 24 1HB SER 649 1HB SER 649 -2.236 -34.839 12.582 25 2HB SER 649 2HB SER 649 -2.614 -33.259 11.896 26 HG SER 649 HG SER 649 -2.134 -35.382 10.144 27 H GLY 650 H GLY 650 0.825 -33.958 9.364 28 1HA GLY 650 1HA GLY 650 0.665 -32.597 7.418 29 2HA GLY 650 2HA GLY 650 -0.249 -31.421 8.351 30 H ALA 651 H ALA 651 2.982 -32.919 8.260 31 HA ALA 651 HA ALA 651 4.127 -30.443 9.317 32 1HB ALA 651 1HB ALA 651 4.919 -32.352 10.460 33 2HB ALA 651 2HB ALA 651 5.245 -33.211 8.954 34 3HB ALA 651 3HB ALA 651 6.239 -31.828 9.413 35 H ARG 652 H ARG 652 4.385 -28.973 7.734 36 HA ARG 652 HA ARG 652 6.037 -29.754 5.437 37 1HB ARG 652 1HB ARG 652 3.502 -28.112 5.319 38 2HB ARG 652 2HB ARG 652 4.647 -28.258 3.993 39 1HG ARG 652 1HG ARG 652 4.100 -30.463 3.585 40 2HG ARG 652 2HG ARG 652 3.458 -30.710 5.210 41 1HD ARG 652 1HD ARG 652 1.528 -29.355 4.699 42 2HD ARG 652 2HD ARG 652 2.193 -28.945 3.118 43 HE ARG 652 HE ARG 652 2.045 -31.679 3.137 44 1HH1 ARG 652 2HH1 ARG 652 -0.205 -29.062 3.590 45 2HH1 ARG 652 1HH1 ARG 652 -1.559 -29.944 2.965 46 1HH2 ARG 652 2HH2 ARG 652 0.271 -32.851 2.311 47 2HH2 ARG 652 1HH2 ARG 652 -1.287 -32.100 2.238 48 H GLU 653 H GLU 653 7.855 -28.631 5.648 49 HA GLU 653 HA GLU 653 7.876 -26.061 6.983 50 1HB GLU 653 1HB GLU 653 10.324 -26.190 6.693 51 2HB GLU 653 2HB GLU 653 9.667 -27.621 7.474 52 1HG GLU 653 1HG GLU 653 10.003 -28.953 5.603 53 2HG GLU 653 2HG GLU 653 10.129 -27.568 4.520 54 H ARG 654 H ARG 654 6.382 -25.984 4.640 55 HA ARG 654 HA ARG 654 7.918 -25.004 2.441 56 1HB ARG 654 1HB ARG 654 5.653 -26.053 2.242 57 2HB ARG 654 2HB ARG 654 4.972 -24.608 2.978 58 1HG ARG 654 1HG ARG 654 5.638 -23.260 1.130 59 2HG ARG 654 2HG ARG 654 6.583 -24.581 0.439 60 1HD ARG 654 1HD ARG 654 3.625 -24.814 0.902 61 2HD ARG 654 2HD ARG 654 4.282 -24.108 -0.574 62 HE ARG 654 HE ARG 654 5.537 -26.554 -0.228 63 1HH1 ARG 654 2HH1 ARG 654 2.305 -25.363 -0.735 64 2HH1 ARG 654 1HH1 ARG 654 1.771 -26.786 -1.566 65 1HH2 ARG 654 2HH2 ARG 654 4.846 -28.433 -1.320 66 2HH2 ARG 654 1HH2 ARG 654 3.217 -28.532 -1.897 67 H ALA 655 H ALA 655 9.204 -23.318 3.160 68 HA ALA 655 HA ALA 655 7.998 -21.029 4.469 69 1HB ALA 655 1HB ALA 655 10.715 -22.013 3.994 70 2HB ALA 655 2HB ALA 655 10.545 -20.260 3.888 71 3HB ALA 655 3HB ALA 655 10.055 -21.106 5.356 72 H ILE 656 H ILE 656 6.980 -21.582 1.874 73 HA ILE 656 HA ILE 656 8.041 -19.319 0.315 74 HB ILE 656 HB ILE 656 6.446 -21.690 -0.664 75 1HG1 ILE 656 1HG1 ILE 656 8.728 -21.923 -1.987 76 2HG1 ILE 656 2HG1 ILE 656 9.362 -21.036 -0.606 77 1HG2 ILE 656 1HG2 ILE 656 7.733 -20.242 -2.748 78 2HG2 ILE 656 2HG2 ILE 656 6.010 -20.522 -2.498 79 3HG2 ILE 656 3HG2 ILE 656 6.788 -19.112 -1.779 80 1HD1 ILE 656 1HD1 ILE 656 8.184 -22.836 0.806 81 2HD1 ILE 656 2HD1 ILE 656 8.141 -23.759 -0.697 82 3HD1 ILE 656 3HD1 ILE 656 9.687 -23.246 -0.020 83 H VAL 657 H VAL 657 6.860 -17.586 0.894 84 HA VAL 657 HA VAL 657 3.964 -17.843 1.200 85 HB VAL 657 HB VAL 657 5.769 -15.475 1.715 86 1HG1 VAL 657 1HG1 VAL 657 2.914 -15.682 1.462 87 2HG1 VAL 657 2HG1 VAL 657 3.352 -15.210 3.105 88 3HG1 VAL 657 3HG1 VAL 657 3.913 -14.254 1.732 89 1HG2 VAL 657 1HG2 VAL 657 4.337 -16.985 3.848 90 2HG2 VAL 657 2HG2 VAL 657 5.831 -17.648 3.187 91 3HG2 VAL 657 3HG2 VAL 657 5.831 -16.053 3.938 92 HA PRO 658 HA PRO 658 3.410 -16.414 -2.977 93 1HB PRO 658 1HB PRO 658 0.700 -16.273 -2.874 94 2HB PRO 658 2HB PRO 658 1.577 -17.799 -3.039 95 1HG PRO 658 1HG PRO 658 0.389 -16.552 -0.590 96 2HG PRO 658 2HG PRO 658 0.346 -18.245 -1.118 97 1HD PRO 658 1HD PRO 658 2.061 -17.353 0.778 98 2HD PRO 658 2HD PRO 658 2.471 -18.674 -0.335 99 H LEU 659 H LEU 659 2.589 -14.532 -4.059 100 HA LEU 659 HA LEU 659 3.051 -12.125 -2.732 101 1HB LEU 659 1HB LEU 659 3.182 -12.423 -5.167 102 2HB LEU 659 2HB LEU 659 1.428 -12.586 -5.231 103 HG LEU 659 HG LEU 659 1.381 -10.215 -4.227 104 1HD1 LEU 659 1HD1 LEU 659 3.565 -9.069 -5.293 105 2HD1 LEU 659 2HD1 LEU 659 4.254 -10.603 -4.764 106 3HD1 LEU 659 3HD1 LEU 659 3.443 -9.554 -3.601 107 1HD2 LEU 659 1HD2 LEU 659 2.152 -9.396 -6.684 108 2HD2 LEU 659 2HD2 LEU 659 0.586 -10.126 -6.331 109 3HD2 LEU 659 3HD2 LEU 659 1.895 -11.115 -6.981 110 H GLU 660 H GLU 660 -0.024 -13.684 -3.590 111 HA GLU 660 HA GLU 660 -1.760 -11.715 -2.680 112 1HB GLU 660 1HB GLU 660 -3.416 -13.549 -2.422 113 2HB GLU 660 2HB GLU 660 -2.577 -13.583 -3.966 114 1HG GLU 660 1HG GLU 660 -1.053 -15.314 -3.014 115 2HG GLU 660 2HG GLU 660 -2.089 -15.357 -1.588 116 H ALA 661 H ALA 661 0.037 -14.137 -0.911 117 HA ALA 661 HA ALA 661 -1.373 -13.868 1.548 118 1HB ALA 661 1HB ALA 661 1.133 -15.175 0.656 119 2HB ALA 661 2HB ALA 661 0.962 -14.834 2.379 120 3HB ALA 661 3HB ALA 661 -0.234 -15.834 1.555 121 H ARG 662 H ARG 662 1.980 -12.901 0.793 122 HA ARG 662 HA ARG 662 2.396 -11.280 2.986 123 1HB ARG 662 1HB ARG 662 4.107 -10.113 1.561 124 2HB ARG 662 2HB ARG 662 4.245 -11.866 1.593 125 1HG ARG 662 1HG ARG 662 2.722 -11.645 -0.568 126 2HG ARG 662 2HG ARG 662 3.494 -10.059 -0.628 127 1HD ARG 662 1HD ARG 662 4.840 -12.754 -0.601 128 2HD ARG 662 2HD ARG 662 4.808 -11.586 -1.922 129 HE ARG 662 HE ARG 662 5.966 -10.468 0.420 130 1HH1 ARG 662 2HH1 ARG 662 6.613 -12.610 -2.247 131 2HH1 ARG 662 1HH1 ARG 662 8.324 -12.335 -2.223 132 1HH2 ARG 662 2HH2 ARG 662 8.216 -10.097 0.462 133 2HH2 ARG 662 1HH2 ARG 662 9.234 -10.906 -0.681 134 H MET 663 H MET 663 1.179 -10.326 -0.219 135 HA MET 663 HA MET 663 0.891 -7.599 0.277 136 1HB MET 663 1HB MET 663 -0.487 -9.507 -1.585 137 2HB MET 663 2HB MET 663 -1.004 -7.829 -1.491 138 1HG MET 663 1HG MET 663 1.452 -7.248 -1.911 139 2HG MET 663 2HG MET 663 1.625 -8.932 -2.400 140 1HE MET 663 1HE MET 663 2.169 -6.749 -5.099 141 2HE MET 663 2HE MET 663 0.867 -5.578 -4.889 142 3HE MET 663 3HE MET 663 1.914 -5.986 -3.529 143 H LYS 664 H LYS 664 -1.472 -10.225 0.683 144 HA LYS 664 HA LYS 664 -3.664 -8.766 1.498 145 1HB LYS 664 1HB LYS 664 -2.687 -11.526 2.043 146 2HB LYS 664 2HB LYS 664 -4.010 -10.920 3.031 147 1HG LYS 664 1HG LYS 664 -4.067 -10.867 0.028 148 2HG LYS 664 2HG LYS 664 -4.656 -12.233 0.980 149 1HD LYS 664 1HD LYS 664 -5.637 -9.495 1.634 150 2HD LYS 664 2HD LYS 664 -6.282 -10.310 0.208 151 1HE LYS 664 1HE LYS 664 -6.713 -12.294 1.758 152 2HE LYS 664 2HE LYS 664 -6.423 -11.169 3.084 153 1HZ LYS 664 1HZ LYS 664 -8.184 -9.833 1.527 154 2HZ LYS 664 2HZ LYS 664 -8.587 -10.727 2.905 155 3HZ LYS 664 3HZ LYS 664 -8.719 -11.431 1.373 156 H GLN 665 H GLN 665 -0.968 -9.949 3.477 157 HA GLN 665 HA GLN 665 -1.926 -9.122 5.969 158 1HB GLN 665 1HB GLN 665 0.940 -9.295 5.023 159 2HB GLN 665 2HB GLN 665 0.424 -9.207 6.702 160 1HG GLN 665 1HG GLN 665 -0.815 -11.337 6.363 161 2HG GLN 665 2HG GLN 665 -0.101 -11.438 4.754 162 1HE2 GLN 665 1HE2 GLN 665 0.215 -12.362 7.911 163 2HE2 GLN 665 2HE2 GLN 665 1.887 -12.795 7.911 164 H PHE 666 H PHE 666 0.495 -7.467 3.933 165 HA PHE 666 HA PHE 666 0.766 -5.144 5.354 166 1HB PHE 666 1HB PHE 666 1.956 -5.870 3.201 167 2HB PHE 666 2HB PHE 666 0.606 -5.132 2.345 168 HD1 PHE 666 1HD PHE 666 3.458 -4.482 4.578 169 HD2 PHE 666 2HD PHE 666 0.409 -2.774 2.149 170 HE1 PHE 666 1HE PHE 666 4.563 -2.289 4.739 171 HE2 PHE 666 2HE PHE 666 1.509 -0.579 2.305 172 HZ PHE 666 HZ PHE 666 3.589 -0.335 3.600 173 H LYS 667 H LYS 667 -1.476 -5.551 2.608 174 HA LYS 667 HA LYS 667 -2.802 -3.167 2.716 175 1HB LYS 667 1HB LYS 667 -3.124 -5.218 1.151 176 2HB LYS 667 2HB LYS 667 -4.351 -5.708 2.312 177 1HG LYS 667 1HG LYS 667 -5.696 -3.856 1.851 178 2HG LYS 667 2HG LYS 667 -4.378 -2.983 1.066 179 1HD LYS 667 1HD LYS 667 -5.491 -5.561 -0.017 180 2HD LYS 667 2HD LYS 667 -6.144 -3.981 -0.460 181 1HE LYS 667 1HE LYS 667 -3.964 -3.305 -1.310 182 2HE LYS 667 2HE LYS 667 -3.278 -4.854 -0.822 183 1HZ LYS 667 1HZ LYS 667 -5.360 -4.409 -2.890 184 2HZ LYS 667 2HZ LYS 667 -4.862 -5.934 -2.356 185 3HZ LYS 667 3HZ LYS 667 -3.766 -4.916 -3.147 186 H ASP 668 H ASP 668 -3.665 -6.102 4.537 187 HA ASP 668 HA ASP 668 -5.882 -5.205 5.884 188 1HB ASP 668 1HB ASP 668 -4.959 -7.514 6.005 189 2HB ASP 668 2HB ASP 668 -3.693 -6.920 7.077 190 H MET 669 H MET 669 -2.486 -4.812 6.863 191 HA MET 669 HA MET 669 -2.913 -3.492 9.274 192 1HB MET 669 1HB MET 669 -0.628 -2.636 7.563 193 2HB MET 669 2HB MET 669 -0.657 -3.040 9.274 194 1HG MET 669 1HG MET 669 -1.044 -5.442 8.536 195 2HG MET 669 2HG MET 669 -0.597 -4.896 6.922 196 1HE MET 669 1HE MET 669 1.260 -3.055 6.890 197 2HE MET 669 2HE MET 669 2.145 -2.681 8.369 198 3HE MET 669 3HE MET 669 2.885 -3.698 7.131 199 H LEU 670 H LEU 670 -2.052 -1.949 6.170 200 HA LEU 670 HA LEU 670 -2.313 0.668 6.789 201 1HB LEU 670 1HB LEU 670 -3.437 -0.597 4.295 202 2HB LEU 670 2HB LEU 670 -2.973 1.092 4.489 203 HG LEU 670 HG LEU 670 -1.040 -1.216 4.661 204 1HD1 LEU 670 1HD1 LEU 670 -2.144 0.243 2.351 205 2HD1 LEU 670 2HD1 LEU 670 -1.443 -1.372 2.450 206 3HD1 LEU 670 3HD1 LEU 670 -0.392 0.042 2.376 207 1HD2 LEU 670 1HD2 LEU 670 -0.856 1.534 5.340 208 2HD2 LEU 670 2HD2 LEU 670 0.128 1.258 3.902 209 3HD2 LEU 670 3HD2 LEU 670 0.411 0.307 5.361 210 H LEU 671 H LEU 671 -4.959 -1.589 6.210 211 HA LEU 671 HA LEU 671 -7.019 0.381 6.345 212 1HB LEU 671 1HB LEU 671 -7.161 -1.890 5.248 213 2HB LEU 671 2HB LEU 671 -7.305 -2.569 6.868 214 HG LEU 671 HG LEU 671 -9.374 -1.228 7.185 215 1HD1 LEU 671 1HD1 LEU 671 -9.007 -0.611 4.257 216 2HD1 LEU 671 2HD1 LEU 671 -8.925 0.544 5.586 217 3HD1 LEU 671 3HD1 LEU 671 -10.449 -0.259 5.208 218 1HD2 LEU 671 1HD2 LEU 671 -9.661 -2.904 4.718 219 2HD2 LEU 671 2HD2 LEU 671 -10.749 -2.757 6.099 220 3HD2 LEU 671 3HD2 LEU 671 -9.225 -3.630 6.265 221 H GLU 672 H GLU 672 -5.754 -2.017 8.644 222 HA GLU 672 HA GLU 672 -7.486 -1.225 10.764 223 1HB GLU 672 1HB GLU 672 -5.138 -3.028 10.475 224 2HB GLU 672 2HB GLU 672 -5.531 -2.467 12.094 225 1HG GLU 672 1HG GLU 672 -7.250 -4.069 10.226 226 2HG GLU 672 2HG GLU 672 -6.612 -4.546 11.798 227 H ARG 673 H ARG 673 -3.935 -0.950 10.549 228 HA ARG 673 HA ARG 673 -3.348 0.646 12.612 229 1HB ARG 673 1HB ARG 673 -2.310 0.700 9.798 230 2HB ARG 673 2HB ARG 673 -1.700 1.844 10.987 231 1HG ARG 673 1HG ARG 673 -1.727 -1.086 11.580 232 2HG ARG 673 2HG ARG 673 -0.441 -0.374 10.603 233 1HD ARG 673 1HD ARG 673 0.337 0.937 12.358 234 2HD ARG 673 2HD ARG 673 -1.184 0.823 13.243 235 HE ARG 673 HE ARG 673 1.028 -0.940 13.444 236 1HH1 ARG 673 2HH1 ARG 673 -2.452 -0.862 13.491 237 2HH1 ARG 673 1HH1 ARG 673 -2.600 -2.273 14.484 238 1HH2 ARG 673 2HH2 ARG 673 0.846 -2.799 14.752 239 2HH2 ARG 673 1HH2 ARG 673 -0.724 -3.374 15.202 240 H GLY 674 H GLY 674 -4.879 1.732 9.621 241 1HA GLY 674 1HA GLY 674 -6.478 3.501 9.605 242 2HA GLY 674 2HA GLY 674 -5.692 4.182 11.022 243 H VAL 675 H VAL 675 -3.892 3.076 8.240 244 HA VAL 675 HA VAL 675 -2.444 5.453 7.967 245 HB VAL 675 HB VAL 675 -2.877 3.132 6.107 246 1HG1 VAL 675 1HG1 VAL 675 -0.755 4.377 5.005 247 2HG1 VAL 675 2HG1 VAL 675 -2.412 4.562 4.425 248 3HG1 VAL 675 3HG1 VAL 675 -1.714 5.771 5.504 249 1HG2 VAL 675 1HG2 VAL 675 -0.699 4.078 7.926 250 2HG2 VAL 675 2HG2 VAL 675 -1.448 2.485 7.813 251 3HG2 VAL 675 3HG2 VAL 675 -0.324 3.022 6.564 252 H SER 676 H SER 676 -3.922 7.182 7.899 253 HA SER 676 HA SER 676 -6.119 7.641 6.438 254 1HB SER 676 1HB SER 676 -3.808 9.584 6.665 255 2HB SER 676 2HB SER 676 -5.474 10.012 6.279 256 HG SER 676 HG SER 676 -4.743 10.193 8.564 257 H ALA 677 H ALA 677 -6.601 8.565 4.367 258 HA ALA 677 HA ALA 677 -4.778 7.595 2.285 259 1HB ALA 677 1HB ALA 677 -7.640 7.638 2.594 260 2HB ALA 677 2HB ALA 677 -7.162 8.415 1.084 261 3HB ALA 677 3HB ALA 677 -6.650 6.763 1.426 262 H PHE 678 H PHE 678 -5.492 10.418 3.852 263 HA PHE 678 HA PHE 678 -4.812 12.046 1.491 264 1HB PHE 678 1HB PHE 678 -6.368 12.853 3.958 265 2HB PHE 678 2HB PHE 678 -5.919 13.937 2.645 266 HD1 PHE 678 1HD PHE 678 -7.079 13.900 0.550 267 HD2 PHE 678 2HD PHE 678 -8.060 11.128 3.627 268 HE1 PHE 678 1HE PHE 678 -9.145 13.307 -0.648 269 HE2 PHE 678 2HE PHE 678 -10.127 10.530 2.434 270 HZ PHE 678 HZ PHE 678 -10.671 11.619 0.293 271 H SER 679 H SER 679 -2.885 10.703 3.100 272 HA SER 679 HA SER 679 -1.521 13.019 4.306 273 1HB SER 679 1HB SER 679 -1.900 10.254 5.350 274 2HB SER 679 2HB SER 679 -0.353 11.039 5.663 275 HG SER 679 HG SER 679 -2.938 11.843 6.459 276 H THR 680 H THR 680 0.946 12.197 4.672 277 HA THR 680 HA THR 680 1.890 11.654 1.963 278 HB THR 680 HB THR 680 4.169 12.199 3.098 279 HG1 THR 680 1HG THR 680 3.080 12.121 5.251 280 1HG2 THR 680 1HG2 THR 680 3.848 14.032 1.874 281 2HG2 THR 680 2HG2 THR 680 2.932 14.738 3.206 282 3HG2 THR 680 3HG2 THR 680 2.101 13.812 1.956 283 H TRP 681 H TRP 681 3.552 10.116 1.538 284 HA TRP 681 HA TRP 681 3.145 7.612 2.754 285 1HB TRP 681 1HB TRP 681 3.897 7.517 0.540 286 2HB TRP 681 2HB TRP 681 5.185 8.683 0.827 287 HD1 TRP 681 HD TRP 681 7.516 7.652 0.980 288 HE1 TRP 681 1HE TRP 681 8.477 5.326 1.517 289 HE3 TRP 681 3HE TRP 681 3.167 5.223 2.134 290 HZ2 TRP 681 2HZ TRP 681 7.519 2.796 2.323 291 HZ3 TRP 681 3HZ TRP 681 3.277 2.851 2.778 292 HH2 TRP 681 HH TRP 681 5.409 1.664 2.869 293 H GLU 682 H GLU 682 5.429 10.178 3.369 294 HA GLU 682 HA GLU 682 7.347 8.759 4.834 295 1HB GLU 682 1HB GLU 682 6.457 11.624 4.822 296 2HB GLU 682 2HB GLU 682 7.644 11.070 5.993 297 1HG GLU 682 1HG GLU 682 8.955 10.181 4.004 298 2HG GLU 682 2HG GLU 682 7.869 11.146 3.006 299 H LYS 683 H LYS 683 4.609 10.690 6.060 300 HA LYS 683 HA LYS 683 4.882 10.034 8.749 301 1HB LYS 683 1HB LYS 683 2.640 10.992 7.038 302 2HB LYS 683 2HB LYS 683 2.244 10.391 8.643 303 1HG LYS 683 1HG LYS 683 3.389 12.087 9.708 304 2HG LYS 683 2HG LYS 683 4.411 12.417 8.306 305 1HD LYS 683 1HD LYS 683 2.079 13.032 7.212 306 2HD LYS 683 2HD LYS 683 1.636 13.313 8.897 307 1HE LYS 683 1HE LYS 683 2.418 15.388 8.330 308 2HE LYS 683 2HE LYS 683 3.903 14.647 8.924 309 1HZ LYS 683 1HZ LYS 683 3.230 15.529 6.273 310 2HZ LYS 683 2HZ LYS 683 3.886 13.971 6.305 311 3HZ LYS 683 3HZ LYS 683 4.748 15.265 6.971 312 H GLU 684 H GLU 684 2.593 8.585 6.422 313 HA GLU 684 HA GLU 684 1.649 6.558 8.069 314 1HB GLU 684 1HB GLU 684 2.030 6.361 5.078 315 2HB GLU 684 2HB GLU 684 0.887 5.453 6.059 316 1HG GLU 684 1HG GLU 684 -0.550 7.208 6.268 317 2HG GLU 684 2HG GLU 684 0.725 8.415 6.109 318 H LEU 685 H LEU 685 4.427 6.558 5.870 319 HA LEU 685 HA LEU 685 5.192 3.933 5.941 320 1HB LEU 685 1HB LEU 685 6.461 5.313 4.575 321 2HB LEU 685 2HB LEU 685 6.754 6.481 5.863 322 HG LEU 685 HG LEU 685 8.154 4.558 6.923 323 1HD1 LEU 685 1HD1 LEU 685 9.200 3.104 5.253 324 2HD1 LEU 685 2HD1 LEU 685 8.109 3.737 4.022 325 3HD1 LEU 685 3HD1 LEU 685 7.465 2.813 5.378 326 1HD2 LEU 685 1HD2 LEU 685 8.779 6.546 4.857 327 2HD2 LEU 685 2HD2 LEU 685 9.980 5.268 5.042 328 3HD2 LEU 685 3HD2 LEU 685 9.529 6.262 6.428 329 H HIS 686 H HIS 686 6.463 6.410 8.177 330 HA HIS 686 HA HIS 686 7.771 4.663 9.902 331 1HB HIS 686 1HB HIS 686 8.064 6.477 11.321 332 2HB HIS 686 2HB HIS 686 7.782 7.271 9.775 333 HD1 HIS 686 1HD HIS 686 6.199 9.150 9.937 334 HD2 HIS 686 2HD HIS 686 5.406 6.228 12.782 335 HE1 HIS 686 1HE HIS 686 4.257 10.024 11.274 336 H LYS 687 H LYS 687 4.410 5.675 9.811 337 HA LYS 687 HA LYS 687 3.629 4.678 12.326 338 1HB LYS 687 1HB LYS 687 2.234 5.458 9.817 339 2HB LYS 687 2HB LYS 687 1.339 4.470 10.964 340 1HG LYS 687 1HG LYS 687 2.033 6.212 12.710 341 2HG LYS 687 2HG LYS 687 2.449 7.228 11.328 342 1HD LYS 687 1HD LYS 687 -0.219 5.919 11.337 343 2HD LYS 687 2HD LYS 687 0.037 7.276 12.437 344 1HE LYS 687 1HE LYS 687 0.275 8.784 10.739 345 2HE LYS 687 2HE LYS 687 0.921 7.587 9.619 346 1HZ LYS 687 1HZ LYS 687 -1.364 8.425 9.103 347 2HZ LYS 687 2HZ LYS 687 -1.913 7.621 10.485 348 3HZ LYS 687 3HZ LYS 687 -1.231 6.742 9.211 349 H ILE 688 H ILE 688 4.260 3.123 9.300 350 HA ILE 688 HA ILE 688 3.339 0.568 10.448 351 HB ILE 688 HB ILE 688 2.933 -0.251 8.186 352 1HG1 ILE 688 1HG1 ILE 688 3.287 2.529 7.112 353 2HG1 ILE 688 2HG1 ILE 688 4.671 1.448 7.230 354 1HG2 ILE 688 1HG2 ILE 688 0.867 0.729 7.924 355 2HG2 ILE 688 2HG2 ILE 688 1.251 1.167 9.588 356 3HG2 ILE 688 3HG2 ILE 688 1.468 2.345 8.294 357 1HD1 ILE 688 1HD1 ILE 688 3.004 1.635 5.096 358 2HD1 ILE 688 2HD1 ILE 688 4.021 0.243 5.468 359 3HD1 ILE 688 3HD1 ILE 688 2.327 0.254 5.959 360 H VAL 689 H VAL 689 6.014 2.187 10.159 361 HA VAL 689 HA VAL 689 7.694 0.356 8.701 362 HB VAL 689 HB VAL 689 8.078 2.886 9.038 363 1HG1 VAL 689 1HG1 VAL 689 9.584 2.020 11.476 364 2HG1 VAL 689 2HG1 VAL 689 9.121 3.645 10.967 365 3HG1 VAL 689 3HG1 VAL 689 7.902 2.535 11.595 366 1HG2 VAL 689 1HG2 VAL 689 10.425 1.070 9.551 367 2HG2 VAL 689 2HG2 VAL 689 9.642 1.233 7.980 368 3HG2 VAL 689 3HG2 VAL 689 10.426 2.627 8.723 369 H PHE 690 H PHE 690 6.848 0.962 12.054 370 HA PHE 690 HA PHE 690 8.860 -0.651 13.222 371 1HB PHE 690 1HB PHE 690 7.734 -0.341 15.258 372 2HB PHE 690 2HB PHE 690 7.350 1.112 14.341 373 HD1 PHE 690 1HD PHE 690 6.024 -1.424 16.332 374 HD2 PHE 690 2HD PHE 690 5.142 0.918 12.889 375 HE1 PHE 690 1HE PHE 690 3.624 -1.862 16.653 376 HE2 PHE 690 2HE PHE 690 2.741 0.484 13.205 377 HZ PHE 690 HZ PHE 690 1.979 -0.907 15.089 378 H ASP 691 H ASP 691 5.518 -1.300 12.251 379 HA ASP 691 HA ASP 691 5.110 -3.808 13.254 380 1HB ASP 691 1HB ASP 691 3.565 -2.365 11.788 381 2HB ASP 691 2HB ASP 691 4.354 -3.141 10.417 382 HA PRO 692 HA PRO 692 8.191 -6.409 11.477 383 1HB PRO 692 1HB PRO 692 6.979 -8.804 11.889 384 2HB PRO 692 2HB PRO 692 7.724 -7.867 13.190 385 1HG PRO 692 1HG PRO 692 4.840 -8.066 12.410 386 2HG PRO 692 2HG PRO 692 5.565 -8.081 14.028 387 1HD PRO 692 1HD PRO 692 4.411 -5.872 12.969 388 2HD PRO 692 2HD PRO 692 5.788 -5.787 14.086 389 H ARG 693 H ARG 693 4.803 -7.035 10.585 390 HA ARG 693 HA ARG 693 5.258 -8.563 8.304 391 1HB ARG 693 1HB ARG 693 3.018 -6.697 9.061 392 2HB ARG 693 2HB ARG 693 2.999 -7.610 7.558 393 1HG ARG 693 1HG ARG 693 2.878 -9.666 8.679 394 2HG ARG 693 2HG ARG 693 3.349 -8.946 10.220 395 1HD ARG 693 1HD ARG 693 0.865 -7.996 8.871 396 2HD ARG 693 2HD ARG 693 0.842 -9.544 9.716 397 HE ARG 693 HE ARG 693 0.775 -6.981 10.903 398 1HH1 ARG 693 2HH1 ARG 693 2.157 -10.149 11.326 399 2HH1 ARG 693 1HH1 ARG 693 2.273 -10.011 13.049 400 1HH2 ARG 693 2HH2 ARG 693 0.922 -6.788 13.171 401 2HH2 ARG 693 1HH2 ARG 693 1.569 -8.099 14.097 402 H TYR 694 H TYR 694 5.683 -5.183 8.838 403 HA TYR 694 HA TYR 694 5.481 -4.269 6.174 404 1HB TYR 694 1HB TYR 694 5.404 -2.586 7.803 405 2HB TYR 694 2HB TYR 694 6.818 -3.207 8.648 406 HD1 TYR 694 1HD TYR 694 9.060 -3.127 7.283 407 HD2 TYR 694 2HD TYR 694 5.642 -0.746 6.419 408 HE1 TYR 694 1HE TYR 694 10.488 -1.526 6.079 409 HE2 TYR 694 2HE TYR 694 7.059 0.861 5.211 410 HH TYR 694 HH TYR 694 9.102 1.257 4.386 411 H LEU 695 H LEU 695 8.034 -5.820 7.971 412 HA LEU 695 HA LEU 695 10.096 -5.208 6.063 413 1HB LEU 695 1HB LEU 695 10.065 -7.285 8.247 414 2HB LEU 695 2HB LEU 695 11.483 -6.704 7.376 415 HG LEU 695 HG LEU 695 9.779 -4.943 9.129 416 1HD1 LEU 695 1HD1 LEU 695 12.402 -5.667 10.148 417 2HD1 LEU 695 2HD1 LEU 695 11.314 -7.048 10.023 418 3HD1 LEU 695 3HD1 LEU 695 10.838 -5.634 10.963 419 1HD2 LEU 695 1HD2 LEU 695 12.161 -4.584 7.451 420 2HD2 LEU 695 2HD2 LEU 695 12.283 -3.900 9.072 421 3HD2 LEU 695 3HD2 LEU 695 10.969 -3.407 8.003 422 H LEU 696 H LEU 696 7.502 -7.276 6.020 423 HA LEU 696 HA LEU 696 8.706 -9.553 4.774 424 1HB LEU 696 1HB LEU 696 5.843 -8.626 4.931 425 2HB LEU 696 2HB LEU 696 6.349 -10.161 4.228 426 HG LEU 696 HG LEU 696 6.662 -9.338 7.114 427 1HD1 LEU 696 1HD1 LEU 696 4.714 -10.328 7.540 428 2HD1 LEU 696 2HD1 LEU 696 5.098 -11.709 6.513 429 3HD1 LEU 696 3HD1 LEU 696 4.411 -10.247 5.804 430 1HD2 LEU 696 1HD2 LEU 696 7.111 -11.975 7.103 431 2HD2 LEU 696 2HD2 LEU 696 8.400 -10.781 6.956 432 3HD2 LEU 696 3HD2 LEU 696 7.759 -11.569 5.514 433 H LEU 697 H LEU 697 6.664 -6.894 3.563 434 HA LEU 697 HA LEU 697 7.088 -7.648 0.823 435 1HB LEU 697 1HB LEU 697 5.701 -5.390 2.210 436 2HB LEU 697 2HB LEU 697 5.999 -5.315 0.475 437 HG LEU 697 HG LEU 697 4.239 -7.225 1.987 438 1HD1 LEU 697 1HD1 LEU 697 2.815 -5.582 1.423 439 2HD1 LEU 697 2HD1 LEU 697 2.864 -6.339 -0.169 440 3HD1 LEU 697 3HD1 LEU 697 3.883 -4.941 0.174 441 1HD2 LEU 697 1HD2 LEU 697 5.170 -8.752 0.554 442 2HD2 LEU 697 2HD2 LEU 697 5.539 -7.542 -0.675 443 3HD2 LEU 697 3HD2 LEU 697 3.881 -8.105 -0.461 444 H ASN 698 H ASN 698 8.081 -6.276 -0.784 445 HA ASN 698 HA ASN 698 10.650 -5.366 0.004 446 1HB ASN 698 1HB ASN 698 9.126 -5.571 -2.529 447 2HB ASN 698 2HB ASN 698 10.412 -4.368 -2.495 448 1HD2 ASN 698 1HD2 ASN 698 10.577 -6.454 -4.211 449 2HD2 ASN 698 2HD2 ASN 698 11.822 -7.542 -3.711 450 HA PRO 699 HA PRO 699 10.107 -1.086 0.802 451 1HB PRO 699 1HB PRO 699 12.191 0.060 -0.507 452 2HB PRO 699 2HB PRO 699 12.391 -0.904 0.961 453 1HG PRO 699 1HG PRO 699 12.786 -1.701 -1.898 454 2HG PRO 699 2HG PRO 699 13.791 -2.069 -0.484 455 1HD PRO 699 1HD PRO 699 12.038 -3.849 -1.529 456 2HD PRO 699 2HD PRO 699 12.415 -3.785 0.204 457 H LYS 700 H LYS 700 10.645 -1.870 -2.607 458 HA LYS 700 HA LYS 700 9.610 0.595 -3.603 459 1HB LYS 700 1HB LYS 700 10.051 -2.077 -4.947 460 2HB LYS 700 2HB LYS 700 9.573 -0.612 -5.794 461 1HG LYS 700 1HG LYS 700 11.636 0.467 -5.211 462 2HG LYS 700 2HG LYS 700 12.103 -0.894 -4.188 463 1HD LYS 700 1HD LYS 700 13.292 -1.257 -6.161 464 2HD LYS 700 2HD LYS 700 11.883 -2.306 -6.330 465 1HE LYS 700 1HE LYS 700 11.994 -1.269 -8.398 466 2HE LYS 700 2HE LYS 700 10.820 -0.277 -7.534 467 1HZ LYS 700 1HZ LYS 700 13.647 0.340 -8.142 468 2HZ LYS 700 2HZ LYS 700 12.800 1.170 -6.936 469 3HZ LYS 700 3HZ LYS 700 12.266 1.232 -8.540 470 H GLU 701 H GLU 701 8.277 -2.677 -3.252 471 HA GLU 701 HA GLU 701 5.779 -2.179 -4.416 472 1HB GLU 701 1HB GLU 701 6.611 -4.151 -2.286 473 2HB GLU 701 2HB GLU 701 5.017 -4.144 -3.029 474 1HG GLU 701 1HG GLU 701 6.810 -5.749 -3.934 475 2HG GLU 701 2HG GLU 701 5.819 -4.844 -5.077 476 H ARG 702 H ARG 702 6.701 -2.172 -0.973 477 HA ARG 702 HA ARG 702 4.447 -1.604 0.328 478 1HB ARG 702 1HB ARG 702 7.140 -0.294 0.628 479 2HB ARG 702 2HB ARG 702 5.812 0.081 1.718 480 1HG ARG 702 1HG ARG 702 5.758 -2.091 2.585 481 2HG ARG 702 2HG ARG 702 6.713 -2.739 1.251 482 1HD ARG 702 1HD ARG 702 8.573 -1.185 2.082 483 2HD ARG 702 2HD ARG 702 7.613 -1.038 3.554 484 HE ARG 702 HE ARG 702 7.798 -3.693 3.287 485 1HH1 ARG 702 2HH1 ARG 702 10.199 -1.179 3.099 486 2HH1 ARG 702 1HH1 ARG 702 11.485 -2.184 3.681 487 1HH2 ARG 702 2HH2 ARG 702 9.483 -5.026 4.053 488 2HH2 ARG 702 1HH2 ARG 702 11.077 -4.373 4.222 489 H LYS 703 H LYS 703 6.270 0.814 -1.528 490 HA LYS 703 HA LYS 703 4.416 2.922 -1.030 491 1HB LYS 703 1HB LYS 703 6.827 3.241 -1.639 492 2HB LYS 703 2HB LYS 703 6.433 2.716 -3.270 493 1HG LYS 703 1HG LYS 703 4.913 4.977 -2.066 494 2HG LYS 703 2HG LYS 703 6.547 5.255 -2.675 495 1HD LYS 703 1HD LYS 703 5.707 4.067 -4.809 496 2HD LYS 703 2HD LYS 703 4.094 4.389 -4.169 497 1HE LYS 703 1HE LYS 703 6.088 6.606 -4.323 498 2HE LYS 703 2HE LYS 703 5.250 6.092 -5.787 499 1HZ LYS 703 1HZ LYS 703 4.311 7.871 -3.962 500 2HZ LYS 703 2HZ LYS 703 3.484 6.452 -3.558 501 3HZ LYS 703 3HZ LYS 703 3.380 7.073 -5.128 502 H GLN 704 H GLN 704 5.007 0.769 -3.791 503 HA GLN 704 HA GLN 704 3.133 1.828 -5.552 504 1HB GLN 704 1HB GLN 704 4.438 -0.822 -5.214 505 2HB GLN 704 2HB GLN 704 3.026 -0.746 -6.259 506 1HG GLN 704 1HG GLN 704 5.636 0.702 -6.558 507 2HG GLN 704 2HG GLN 704 4.899 -0.468 -7.653 508 1HE2 GLN 704 1HE2 GLN 704 2.842 0.189 -8.653 509 2HE2 GLN 704 2HE2 GLN 704 2.636 1.850 -9.083 510 H VAL 705 H VAL 705 2.708 -0.937 -3.338 511 HA VAL 705 HA VAL 705 0.002 -1.376 -3.822 512 HB VAL 705 HB VAL 705 1.629 -1.857 -1.327 513 1HG1 VAL 705 1HG1 VAL 705 -1.142 -2.874 -1.953 514 2HG1 VAL 705 2HG1 VAL 705 -0.172 -3.277 -0.535 515 3HG1 VAL 705 3HG1 VAL 705 -0.756 -1.629 -0.765 516 1HG2 VAL 705 1HG2 VAL 705 2.379 -3.167 -3.187 517 2HG2 VAL 705 2HG2 VAL 705 1.474 -4.224 -2.103 518 3HG2 VAL 705 3HG2 VAL 705 0.726 -3.636 -3.588 519 H PHE 706 H PHE 706 1.533 0.633 -1.317 520 HA PHE 706 HA PHE 706 -0.763 1.493 -0.016 521 1HB PHE 706 1HB PHE 706 1.231 2.043 1.062 522 2HB PHE 706 2HB PHE 706 1.955 2.703 -0.401 523 HD1 PHE 706 1HD PHE 706 1.777 4.985 -0.923 524 HD2 PHE 706 2HD PHE 706 -0.571 3.338 2.221 525 HE1 PHE 706 1HE PHE 706 1.130 7.254 -0.223 526 HE2 PHE 706 2HE PHE 706 -1.223 5.603 2.926 527 HZ PHE 706 HZ PHE 706 -0.373 7.565 1.703 528 H ASP 707 H ASP 707 0.886 2.910 -2.818 529 HA ASP 707 HA ASP 707 -0.675 5.187 -3.133 530 1HB ASP 707 1HB ASP 707 1.449 4.450 -4.405 531 2HB ASP 707 2HB ASP 707 0.341 3.607 -5.484 532 H GLN 708 H GLN 708 -1.160 1.943 -4.502 533 HA GLN 708 HA GLN 708 -3.517 2.563 -5.918 534 1HB GLN 708 1HB GLN 708 -2.694 -0.118 -4.792 535 2HB GLN 708 2HB GLN 708 -3.841 0.161 -6.096 536 1HG GLN 708 1HG GLN 708 -1.759 1.375 -7.180 537 2HG GLN 708 2HG GLN 708 -0.879 0.286 -6.109 538 1HE2 GLN 708 1HE2 GLN 708 -0.111 -1.263 -7.371 539 2HE2 GLN 708 2HE2 GLN 708 -1.033 -2.198 -8.494 540 H TYR 709 H TYR 709 -2.958 1.341 -2.650 541 HA TYR 709 HA TYR 709 -5.651 0.835 -1.997 542 1HB TYR 709 1HB TYR 709 -4.107 -0.148 -0.548 543 2HB TYR 709 2HB TYR 709 -3.168 1.332 -0.385 544 HD1 TYR 709 1HD TYR 709 -6.131 -0.494 0.762 545 HD2 TYR 709 2HD TYR 709 -3.827 3.057 1.186 546 HE1 TYR 709 1HE TYR 709 -7.320 0.020 2.853 547 HE2 TYR 709 2HE TYR 709 -5.008 3.581 3.279 548 HH TYR 709 HH TYR 709 -6.380 1.815 5.109 549 H VAL 710 H VAL 710 -3.601 3.687 -1.482 550 HA VAL 710 HA VAL 710 -5.520 5.233 -0.119 551 HB VAL 710 HB VAL 710 -3.157 6.101 -1.787 552 1HG1 VAL 710 1HG1 VAL 710 -4.696 7.761 0.200 553 2HG1 VAL 710 2HG1 VAL 710 -3.372 8.282 -0.844 554 3HG1 VAL 710 3HG1 VAL 710 -4.932 7.850 -1.545 555 1HG2 VAL 710 1HG2 VAL 710 -2.769 6.619 0.943 556 2HG2 VAL 710 2HG2 VAL 710 -3.422 4.984 0.843 557 3HG2 VAL 710 3HG2 VAL 710 -1.960 5.405 -0.048 558 H LYS 711 H LYS 711 -4.590 5.167 -3.552 559 HA LYS 711 HA LYS 711 -6.244 7.154 -4.516 560 1HB LYS 711 1HB LYS 711 -5.286 4.583 -5.755 561 2HB LYS 711 2HB LYS 711 -6.281 5.721 -6.653 562 1HG LYS 711 1HG LYS 711 -4.586 7.465 -6.276 563 2HG LYS 711 2HG LYS 711 -3.580 6.279 -5.443 564 1HD LYS 711 1HD LYS 711 -3.151 5.088 -7.392 565 2HD LYS 711 2HD LYS 711 -4.560 5.751 -8.223 566 1HE LYS 711 1HE LYS 711 -3.507 7.790 -8.632 567 2HE LYS 711 2HE LYS 711 -2.297 7.525 -7.377 568 1HZ LYS 711 1HZ LYS 711 -0.959 6.755 -8.944 569 2HZ LYS 711 2HZ LYS 711 -2.167 6.880 -10.120 570 3HZ LYS 711 3HZ LYS 711 -2.018 5.462 -9.209 571 H THR 712 H THR 712 -7.004 3.724 -4.012 572 HA THR 712 HA THR 712 -9.684 3.934 -4.955 573 HB THR 712 HB THR 712 -9.855 1.722 -3.494 574 HG1 THR 712 1HG THR 712 -7.815 2.011 -2.488 575 1HG2 THR 712 1HG2 THR 712 -8.173 0.941 -5.628 576 2HG2 THR 712 2HG2 THR 712 -9.086 2.347 -6.175 577 3HG2 THR 712 3HG2 THR 712 -9.935 0.924 -5.571 578 H ARG 713 H ARG 713 -8.183 4.007 -1.754 579 HA ARG 713 HA ARG 713 -10.511 3.976 -0.208 580 1HB ARG 713 1HB ARG 713 -7.745 5.047 0.239 581 2HB ARG 713 2HB ARG 713 -9.005 5.329 1.433 582 1HG ARG 713 1HG ARG 713 -8.340 2.578 0.437 583 2HG ARG 713 2HG ARG 713 -7.490 3.326 1.791 584 1HD ARG 713 1HD ARG 713 -9.130 2.238 2.940 585 2HD ARG 713 2HD ARG 713 -9.961 3.761 2.628 586 HE ARG 713 HE ARG 713 -10.441 1.929 0.528 587 1HH1 ARG 713 2HH1 ARG 713 -11.295 2.584 3.839 588 2HH1 ARG 713 1HH1 ARG 713 -12.846 1.820 3.727 589 1HH2 ARG 713 2HH2 ARG 713 -12.480 0.919 0.368 590 2HH2 ARG 713 1HH2 ARG 713 -13.518 0.872 1.753 591 H ALA 714 H ALA 714 -8.914 6.580 -1.923 592 HA ALA 714 HA ALA 714 -10.549 8.639 -0.733 593 1HB ALA 714 1HB ALA 714 -9.455 9.995 -2.668 594 2HB ALA 714 2HB ALA 714 -8.474 9.470 -1.299 595 3HB ALA 714 3HB ALA 714 -8.414 8.579 -2.820 596 H GLU 715 H GLU 715 -10.206 7.302 -4.025 597 HA GLU 715 HA GLU 715 -12.327 8.667 -5.195 598 1HB GLU 715 1HB GLU 715 -12.069 7.264 -7.014 599 2HB GLU 715 2HB GLU 715 -10.503 7.109 -6.229 600 1HG GLU 715 1HG GLU 715 -11.410 5.055 -5.087 601 2HG GLU 715 2HG GLU 715 -12.796 5.171 -6.171 602 H GLU 716 H GLU 716 -12.370 6.135 -2.900 603 HA GLU 716 HA GLU 716 -15.179 5.511 -3.483 604 1HB GLU 716 1HB GLU 716 -13.351 3.705 -3.152 605 2HB GLU 716 2HB GLU 716 -13.494 4.088 -1.443 606 1HG GLU 716 1HG GLU 716 -15.588 3.196 -1.270 607 2HG GLU 716 2HG GLU 716 -15.971 3.485 -2.966 608 H GLU 717 H GLU 717 -14.259 8.003 -2.225 609 HA GLU 717 HA GLU 717 -14.660 7.993 0.549 610 1HB GLU 717 1HB GLU 717 -13.761 9.863 -1.011 611 2HB GLU 717 2HB GLU 717 -15.451 10.315 -1.182 612 1HG GLU 717 1HG GLU 717 -14.640 11.681 0.522 613 2HG GLU 717 2HG GLU 717 -15.522 10.403 1.357 614 H ARG 718 H ARG 718 -16.460 6.539 0.806 615 HA ARG 718 HA ARG 718 -19.071 7.500 -0.057 616 1HB ARG 718 1HB ARG 718 -19.925 5.382 0.780 617 2HB ARG 718 2HB ARG 718 -18.537 5.104 -0.264 618 1HG ARG 718 1HG ARG 718 -17.242 5.165 2.037 619 2HG ARG 718 2HG ARG 718 -18.827 4.701 2.659 620 1HD ARG 718 1HD ARG 718 -18.699 2.975 0.656 621 2HD ARG 718 2HD ARG 718 -16.966 3.214 0.880 622 HE ARG 718 HE ARG 718 -17.128 1.852 2.689 623 1HH1 ARG 718 2HH1 ARG 718 -20.196 3.438 2.250 624 2HH1 ARG 718 1HH1 ARG 718 -20.949 2.638 3.589 625 1HH2 ARG 718 2HH2 ARG 718 -18.108 0.792 4.455 626 2HH2 ARG 718 1HH2 ARG 718 -19.760 1.134 4.844 627 H ARG 719 H ARG 719 -20.630 8.299 1.270 628 HA ARG 719 HA ARG 719 -19.774 9.053 3.958 629 1HB ARG 719 1HB ARG 719 -20.698 10.761 2.380 630 2HB ARG 719 2HB ARG 719 -22.241 9.920 2.444 631 1HG ARG 719 1HG ARG 719 -22.014 10.267 5.014 632 2HG ARG 719 2HG ARG 719 -20.876 11.533 4.546 633 1HD ARG 719 1HD ARG 719 -23.534 11.424 3.207 634 2HD ARG 719 2HD ARG 719 -23.442 12.043 4.855 635 HE ARG 719 HE ARG 719 -21.487 13.278 3.224 636 1HH1 ARG 719 2HH1 ARG 719 -24.911 13.248 3.856 637 2HH1 ARG 719 1HH1 ARG 719 -25.150 14.889 3.355 638 1HH2 ARG 719 2HH2 ARG 719 -21.789 15.439 2.562 639 2HH2 ARG 719 1HH2 ARG 719 -23.374 16.134 2.618 640 H SER 720 H SER 720 -20.854 8.492 5.814 641 HA SER 720 HA SER 720 -22.399 6.068 5.693 642 1HB SER 720 1HB SER 720 -20.772 6.333 7.477 643 2HB SER 720 2HB SER 720 -21.574 7.802 8.034 644 HG SER 720 HG SER 720 -22.043 5.626 9.080 645 H GLY 721 H GLY 721 -24.491 5.786 6.683 646 1HA GLY 721 1HA GLY 721 -26.100 8.255 6.803 647 2HA GLY 721 2HA GLY 721 -26.641 6.883 5.846 648 HA PRO 722 HA PRO 722 -28.780 5.311 9.333 649 1HB PRO 722 1HB PRO 722 -28.685 2.644 8.837 650 2HB PRO 722 2HB PRO 722 -29.701 3.757 7.913 651 1HG PRO 722 1HG PRO 722 -27.023 2.614 7.216 652 2HG PRO 722 2HG PRO 722 -28.453 2.820 6.189 653 1HD PRO 722 1HD PRO 722 -26.354 4.530 6.123 654 2HD PRO 722 2HD PRO 722 -28.023 5.055 5.821 655 H SER 723 H SER 723 -25.767 3.579 8.564 656 HA SER 723 HA SER 723 -25.442 2.598 11.238 657 1HB SER 723 1HB SER 723 -23.314 1.723 10.458 658 2HB SER 723 2HB SER 723 -24.549 1.414 9.237 659 HG SER 723 HG SER 723 -23.741 3.511 8.318 660 H SER 724 H SER 724 -23.656 3.126 12.646 661 HA SER 724 HA SER 724 -22.675 5.883 12.313 662 1HB SER 724 1HB SER 724 -23.797 4.573 14.792 663 2HB SER 724 2HB SER 724 -22.827 6.044 14.848 664 HG SER 724 HG SER 724 -24.523 6.678 13.112 665 H GLY 725 H GLY 725 -20.552 6.215 12.694 666 1HA GLY 725 1HA GLY 725 -19.022 4.066 14.002 667 2HA GLY 725 2HA GLY 725 -18.523 4.649 12.421 Start of MODEL 17 1 1H GLY 644 H GLY 644 -10.852 -15.809 -6.455 2 1HA GLY 644 1HA GLY 644 -9.352 -17.967 -7.800 3 2HA GLY 644 2HA GLY 644 -9.010 -16.253 -7.981 4 H SER 645 H SER 645 -9.442 -18.445 -5.200 5 HA SER 645 HA SER 645 -7.195 -17.162 -3.871 6 1HB SER 645 1HB SER 645 -9.321 -17.682 -2.650 7 2HB SER 645 2HB SER 645 -8.963 -19.396 -2.851 8 HG SER 645 HG SER 645 -7.874 -19.158 -1.073 9 H SER 646 H SER 646 -5.239 -18.064 -3.523 10 HA SER 646 HA SER 646 -4.750 -20.683 -4.765 11 1HB SER 646 1HB SER 646 -2.534 -19.998 -5.202 12 2HB SER 646 2HB SER 646 -3.509 -18.569 -5.546 13 HG SER 646 HG SER 646 -3.014 -18.082 -3.197 14 H GLY 647 H GLY 647 -4.517 -22.346 -3.435 15 1HA GLY 647 1HA GLY 647 -2.929 -22.064 -1.016 16 2HA GLY 647 2HA GLY 647 -4.616 -22.489 -0.768 17 H SER 648 H SER 648 -2.415 -24.093 0.003 18 HA SER 648 HA SER 648 -3.167 -26.552 -1.291 19 1HB SER 648 1HB SER 648 -0.498 -25.289 -1.771 20 2HB SER 648 2HB SER 648 -0.593 -27.044 -1.630 21 HG SER 648 HG SER 648 -2.449 -26.670 -3.234 22 H SER 649 H SER 649 -2.879 -28.299 0.016 23 HA SER 649 HA SER 649 -2.195 -27.771 2.759 24 1HB SER 649 1HB SER 649 -3.344 -30.064 1.239 25 2HB SER 649 2HB SER 649 -2.583 -30.408 2.793 26 HG SER 649 HG SER 649 -4.976 -29.727 2.585 27 H GLY 650 H GLY 650 -0.094 -27.556 3.240 28 1HA GLY 650 1HA GLY 650 1.886 -28.797 3.879 29 2HA GLY 650 2HA GLY 650 1.705 -29.741 2.408 30 H ALA 651 H ALA 651 3.567 -27.478 3.797 31 HA ALA 651 HA ALA 651 4.130 -26.077 1.269 32 1HB ALA 651 1HB ALA 651 5.512 -24.940 3.512 33 2HB ALA 651 2HB ALA 651 4.317 -24.203 2.444 34 3HB ALA 651 3HB ALA 651 3.792 -25.092 3.874 35 H ARG 652 H ARG 652 5.794 -26.868 0.175 36 HA ARG 652 HA ARG 652 7.561 -28.801 0.908 37 1HB ARG 652 1HB ARG 652 9.058 -27.970 -0.867 38 2HB ARG 652 2HB ARG 652 7.378 -28.013 -1.383 39 1HG ARG 652 1HG ARG 652 7.230 -25.579 -0.896 40 2HG ARG 652 2HG ARG 652 8.964 -25.591 -0.568 41 1HD ARG 652 1HD ARG 652 8.833 -24.910 -2.791 42 2HD ARG 652 2HD ARG 652 9.189 -26.633 -2.906 43 HE ARG 652 HE ARG 652 6.391 -26.169 -2.949 44 1HH1 ARG 652 2HH1 ARG 652 9.257 -25.949 -4.913 45 2HH1 ARG 652 1HH1 ARG 652 8.405 -26.143 -6.409 46 1HH2 ARG 652 2HH2 ARG 652 5.257 -26.426 -4.912 47 2HH2 ARG 652 1HH2 ARG 652 6.130 -26.413 -6.408 48 H GLU 653 H GLU 653 7.939 -25.316 1.393 49 HA GLU 653 HA GLU 653 10.078 -25.901 3.323 50 1HB GLU 653 1HB GLU 653 10.116 -24.028 1.011 51 2HB GLU 653 2HB GLU 653 10.894 -23.499 2.496 52 1HG GLU 653 1HG GLU 653 11.576 -25.839 0.758 53 2HG GLU 653 2HG GLU 653 12.594 -24.482 1.236 54 H ARG 654 H ARG 654 10.530 -23.790 4.646 55 HA ARG 654 HA ARG 654 7.911 -22.797 5.540 56 1HB ARG 654 1HB ARG 654 10.532 -23.102 7.009 57 2HB ARG 654 2HB ARG 654 9.133 -22.273 7.680 58 1HG ARG 654 1HG ARG 654 9.047 -25.127 6.745 59 2HG ARG 654 2HG ARG 654 9.453 -24.661 8.398 60 1HD ARG 654 1HD ARG 654 6.924 -23.770 7.038 61 2HD ARG 654 2HD ARG 654 7.031 -25.281 7.940 62 HE ARG 654 HE ARG 654 7.979 -23.277 9.606 63 1HH1 ARG 654 2HH1 ARG 654 5.002 -24.117 8.007 64 2HH1 ARG 654 1HH1 ARG 654 3.996 -23.389 9.215 65 1HH2 ARG 654 2HH2 ARG 654 6.664 -22.314 11.203 66 2HH2 ARG 654 1HH2 ARG 654 4.942 -22.363 11.031 67 H ALA 655 H ALA 655 10.885 -21.869 4.134 68 HA ALA 655 HA ALA 655 10.514 -19.050 4.825 69 1HB ALA 655 1HB ALA 655 12.713 -18.678 4.169 70 2HB ALA 655 2HB ALA 655 12.774 -20.285 4.893 71 3HB ALA 655 3HB ALA 655 12.752 -20.109 3.139 72 H ILE 656 H ILE 656 8.585 -20.284 3.120 73 HA ILE 656 HA ILE 656 9.037 -18.716 0.670 74 HB ILE 656 HB ILE 656 7.846 -21.480 0.863 75 1HG1 ILE 656 1HG1 ILE 656 10.105 -20.420 -0.844 76 2HG1 ILE 656 2HG1 ILE 656 10.336 -21.247 0.692 77 1HG2 ILE 656 1HG2 ILE 656 7.739 -20.996 -1.753 78 2HG2 ILE 656 2HG2 ILE 656 6.395 -20.645 -0.669 79 3HG2 ILE 656 3HG2 ILE 656 7.487 -19.353 -1.165 80 1HD1 ILE 656 1HD1 ILE 656 8.961 -23.141 -0.418 81 2HD1 ILE 656 2HD1 ILE 656 9.410 -22.336 -1.922 82 3HD1 ILE 656 3HD1 ILE 656 10.662 -22.933 -0.833 83 H VAL 657 H VAL 657 7.637 -17.092 0.685 84 HA VAL 657 HA VAL 657 4.890 -17.615 1.622 85 HB VAL 657 HB VAL 657 6.074 -16.094 3.141 86 1HG1 VAL 657 1HG1 VAL 657 6.208 -14.050 0.958 87 2HG1 VAL 657 2HG1 VAL 657 7.065 -14.095 2.500 88 3HG1 VAL 657 3HG1 VAL 657 7.527 -15.195 1.200 89 1HG2 VAL 657 1HG2 VAL 657 3.972 -15.386 3.398 90 2HG2 VAL 657 2HG2 VAL 657 4.431 -14.015 2.387 91 3HG2 VAL 657 3HG2 VAL 657 3.658 -15.426 1.663 92 HA PRO 658 HA PRO 658 3.799 -16.605 -2.562 93 1HB PRO 658 1HB PRO 658 1.110 -16.629 -2.189 94 2HB PRO 658 2HB PRO 658 2.077 -18.104 -2.303 95 1HG PRO 658 1HG PRO 658 1.045 -16.699 0.130 96 2HG PRO 658 2HG PRO 658 1.076 -18.435 -0.231 97 1HD PRO 658 1HD PRO 658 2.898 -17.250 1.384 98 2HD PRO 658 2HD PRO 658 3.293 -18.646 0.362 99 H LEU 659 H LEU 659 2.769 -14.891 -3.724 100 HA LEU 659 HA LEU 659 3.149 -12.342 -2.639 101 1HB LEU 659 1HB LEU 659 3.164 -12.859 -5.045 102 2HB LEU 659 2HB LEU 659 1.423 -13.127 -4.984 103 HG LEU 659 HG LEU 659 1.161 -10.730 -4.315 104 1HD1 LEU 659 1HD1 LEU 659 3.646 -10.645 -3.585 105 2HD1 LEU 659 2HD1 LEU 659 2.917 -9.228 -4.340 106 3HD1 LEU 659 3HD1 LEU 659 3.954 -10.294 -5.286 107 1HD2 LEU 659 1HD2 LEU 659 2.604 -10.939 -6.936 108 2HD2 LEU 659 2HD2 LEU 659 1.207 -9.948 -6.514 109 3HD2 LEU 659 3HD2 LEU 659 1.029 -11.694 -6.689 110 H GLU 660 H GLU 660 0.131 -14.128 -3.243 111 HA GLU 660 HA GLU 660 -1.685 -12.228 -2.384 112 1HB GLU 660 1HB GLU 660 -2.113 -14.536 -3.423 113 2HB GLU 660 2HB GLU 660 -2.013 -15.159 -1.782 114 1HG GLU 660 1HG GLU 660 -3.853 -13.671 -1.124 115 2HG GLU 660 2HG GLU 660 -3.972 -13.109 -2.790 116 H ALA 661 H ALA 661 0.272 -14.454 -0.493 117 HA ALA 661 HA ALA 661 -0.999 -13.974 1.999 118 1HB ALA 661 1HB ALA 661 0.243 -15.950 1.880 119 2HB ALA 661 2HB ALA 661 1.660 -15.129 1.224 120 3HB ALA 661 3HB ALA 661 1.207 -14.895 2.913 121 H ARG 662 H ARG 662 2.311 -13.031 1.061 122 HA ARG 662 HA ARG 662 2.790 -11.200 3.038 123 1HB ARG 662 1HB ARG 662 4.313 -10.064 1.344 124 2HB ARG 662 2HB ARG 662 4.590 -11.778 1.624 125 1HG ARG 662 1HG ARG 662 2.966 -12.034 -0.431 126 2HG ARG 662 2HG ARG 662 3.520 -10.394 -0.775 127 1HD ARG 662 1HD ARG 662 5.175 -12.894 -0.516 128 2HD ARG 662 2HD ARG 662 4.964 -11.878 -1.941 129 HE ARG 662 HE ARG 662 6.122 -10.493 0.291 130 1HH1 ARG 662 2HH1 ARG 662 6.774 -12.524 -2.460 131 2HH1 ARG 662 1HH1 ARG 662 8.419 -12.004 -2.619 132 1HH2 ARG 662 2HH2 ARG 662 8.287 -9.801 0.093 133 2HH2 ARG 662 1HH2 ARG 662 9.279 -10.456 -1.165 134 H MET 663 H MET 663 1.448 -10.470 -0.184 135 HA MET 663 HA MET 663 1.053 -7.751 0.138 136 1HB MET 663 1HB MET 663 -0.374 -9.839 -1.477 137 2HB MET 663 2HB MET 663 -0.950 -8.178 -1.473 138 1HG MET 663 1HG MET 663 1.416 -7.521 -2.124 139 2HG MET 663 2HG MET 663 1.683 -9.234 -2.442 140 1HE MET 663 1HE MET 663 0.769 -6.566 -5.608 141 2HE MET 663 2HE MET 663 1.356 -6.177 -3.991 142 3HE MET 663 3HE MET 663 2.204 -7.373 -4.974 143 H LYS 664 H LYS 664 -1.107 -10.423 1.014 144 HA LYS 664 HA LYS 664 -3.285 -8.883 1.869 145 1HB LYS 664 1HB LYS 664 -2.335 -11.662 2.344 146 2HB LYS 664 2HB LYS 664 -3.551 -11.026 3.445 147 1HG LYS 664 1HG LYS 664 -4.009 -10.720 0.527 148 2HG LYS 664 2HG LYS 664 -4.207 -12.320 1.246 149 1HD LYS 664 1HD LYS 664 -6.334 -11.461 1.459 150 2HD LYS 664 2HD LYS 664 -5.630 -11.025 3.017 151 1HE LYS 664 1HE LYS 664 -6.918 -9.195 1.891 152 2HE LYS 664 2HE LYS 664 -5.255 -8.784 2.309 153 1HZ LYS 664 1HZ LYS 664 -6.111 -8.156 0.001 154 2HZ LYS 664 2HZ LYS 664 -5.937 -9.795 -0.379 155 3HZ LYS 664 3HZ LYS 664 -4.591 -8.890 0.104 156 H GLN 665 H GLN 665 -0.297 -9.756 3.459 157 HA GLN 665 HA GLN 665 -1.069 -9.076 6.097 158 1HB GLN 665 1HB GLN 665 1.650 -9.199 4.788 159 2HB GLN 665 2HB GLN 665 1.401 -8.946 6.511 160 1HG GLN 665 1HG GLN 665 0.120 -11.307 5.252 161 2HG GLN 665 2HG GLN 665 1.866 -11.336 5.496 162 1HE2 GLN 665 1HE2 GLN 665 -1.235 -10.998 7.101 163 2HE2 GLN 665 2HE2 GLN 665 -0.693 -11.492 8.665 164 H PHE 666 H PHE 666 0.995 -7.296 3.792 165 HA PHE 666 HA PHE 666 1.209 -4.942 5.245 166 1HB PHE 666 1HB PHE 666 2.434 -5.637 3.099 167 2HB PHE 666 2HB PHE 666 1.042 -4.989 2.237 168 HD1 PHE 666 1HD PHE 666 3.719 -4.096 4.638 169 HD2 PHE 666 2HD PHE 666 0.853 -2.700 1.817 170 HE1 PHE 666 1HE PHE 666 4.699 -1.843 4.762 171 HE2 PHE 666 2HE PHE 666 1.829 -0.445 1.936 172 HZ PHE 666 HZ PHE 666 3.755 -0.014 3.409 173 H LYS 667 H LYS 667 -1.072 -5.635 2.592 174 HA LYS 667 HA LYS 667 -2.529 -3.277 2.710 175 1HB LYS 667 1HB LYS 667 -2.637 -5.390 1.105 176 2HB LYS 667 2HB LYS 667 -3.978 -5.825 2.157 177 1HG LYS 667 1HG LYS 667 -3.803 -3.137 0.838 178 2HG LYS 667 2HG LYS 667 -4.524 -4.535 0.038 179 1HD LYS 667 1HD LYS 667 -5.426 -3.884 2.795 180 2HD LYS 667 2HD LYS 667 -5.971 -2.843 1.478 181 1HE LYS 667 1HE LYS 667 -6.982 -4.677 0.344 182 2HE LYS 667 2HE LYS 667 -6.232 -5.843 1.434 183 1HZ LYS 667 1HZ LYS 667 -7.743 -3.992 2.927 184 2HZ LYS 667 2HZ LYS 667 -7.951 -5.665 2.795 185 3HZ LYS 667 3HZ LYS 667 -8.715 -4.628 1.697 186 H ASP 668 H ASP 668 -3.024 -6.303 4.488 187 HA ASP 668 HA ASP 668 -5.405 -5.729 5.765 188 1HB ASP 668 1HB ASP 668 -4.471 -7.914 5.987 189 2HB ASP 668 2HB ASP 668 -2.999 -7.282 6.720 190 H MET 669 H MET 669 -2.114 -5.040 6.951 191 HA MET 669 HA MET 669 -2.982 -3.637 9.255 192 1HB MET 669 1HB MET 669 -0.605 -2.794 9.296 193 2HB MET 669 2HB MET 669 -0.782 -4.544 9.275 194 1HG MET 669 1HG MET 669 -0.281 -4.592 6.905 195 2HG MET 669 2HG MET 669 -0.175 -2.834 6.875 196 1HE MET 669 1HE MET 669 3.480 -2.602 6.840 197 2HE MET 669 2HE MET 669 1.990 -2.566 5.898 198 3HE MET 669 3HE MET 669 2.154 -1.546 7.328 199 H LEU 670 H LEU 670 -2.082 -2.626 5.997 200 HA LEU 670 HA LEU 670 -1.868 0.088 6.267 201 1HB LEU 670 1HB LEU 670 -3.010 -1.621 4.093 202 2HB LEU 670 2HB LEU 670 -3.032 0.135 3.949 203 HG LEU 670 HG LEU 670 -0.569 -1.585 4.238 204 1HD1 LEU 670 1HD1 LEU 670 -0.341 -0.303 1.871 205 2HD1 LEU 670 2HD1 LEU 670 -2.083 -0.567 1.934 206 3HD1 LEU 670 3HD1 LEU 670 -0.979 -1.937 2.057 207 1HD2 LEU 670 1HD2 LEU 670 -0.058 0.468 5.254 208 2HD2 LEU 670 2HD2 LEU 670 -0.976 1.386 4.060 209 3HD2 LEU 670 3HD2 LEU 670 0.545 0.617 3.603 210 H LEU 671 H LEU 671 -4.870 -1.772 5.885 211 HA LEU 671 HA LEU 671 -6.521 0.571 6.149 212 1HB LEU 671 1HB LEU 671 -7.160 -1.392 4.782 213 2HB LEU 671 2HB LEU 671 -7.293 -2.341 6.261 214 HG LEU 671 HG LEU 671 -9.045 -0.569 6.960 215 1HD1 LEU 671 1HD1 LEU 671 -10.254 0.132 4.738 216 2HD1 LEU 671 2HD1 LEU 671 -8.623 0.034 4.076 217 3HD1 LEU 671 3HD1 LEU 671 -8.963 1.122 5.421 218 1HD2 LEU 671 1HD2 LEU 671 -9.881 -2.329 4.682 219 2HD2 LEU 671 2HD2 LEU 671 -10.751 -1.942 6.167 220 3HD2 LEU 671 3HD2 LEU 671 -9.351 -3.013 6.219 221 H GLU 672 H GLU 672 -5.811 -2.274 8.160 222 HA GLU 672 HA GLU 672 -7.425 -1.656 10.335 223 1HB GLU 672 1HB GLU 672 -4.892 -3.216 10.013 224 2HB GLU 672 2HB GLU 672 -5.506 -2.905 11.630 225 1HG GLU 672 1HG GLU 672 -6.792 -4.457 9.413 226 2HG GLU 672 2HG GLU 672 -6.351 -5.003 11.030 227 H ARG 673 H ARG 673 -3.897 -1.130 10.220 228 HA ARG 673 HA ARG 673 -3.551 0.378 12.445 229 1HB ARG 673 1HB ARG 673 -2.230 0.440 9.765 230 2HB ARG 673 2HB ARG 673 -1.804 1.668 10.950 231 1HG ARG 673 1HG ARG 673 -1.690 -1.277 11.534 232 2HG ARG 673 2HG ARG 673 -0.327 -0.365 10.883 233 1HD ARG 673 1HD ARG 673 0.120 -0.245 13.129 234 2HD ARG 673 2HD ARG 673 -0.829 1.224 12.909 235 HE ARG 673 HE ARG 673 -2.357 0.344 14.343 236 1HH1 ARG 673 2HH1 ARG 673 -0.598 -2.280 12.880 237 2HH1 ARG 673 1HH1 ARG 673 -1.405 -3.506 13.801 238 1HH2 ARG 673 2HH2 ARG 673 -3.426 -1.261 15.561 239 2HH2 ARG 673 1HH2 ARG 673 -3.014 -2.925 15.325 240 H GLY 674 H GLY 674 -5.250 1.304 9.589 241 1HA GLY 674 1HA GLY 674 -6.749 3.091 9.417 242 2HA GLY 674 2HA GLY 674 -6.049 3.788 10.871 243 H VAL 675 H VAL 675 -4.475 2.792 7.850 244 HA VAL 675 HA VAL 675 -2.921 5.177 7.742 245 HB VAL 675 HB VAL 675 -3.364 3.036 5.658 246 1HG1 VAL 675 1HG1 VAL 675 -2.652 4.910 4.443 247 2HG1 VAL 675 2HG1 VAL 675 -1.537 5.419 5.713 248 3HG1 VAL 675 3HG1 VAL 675 -1.178 3.989 4.744 249 1HG2 VAL 675 1HG2 VAL 675 -0.971 2.471 6.370 250 2HG2 VAL 675 2HG2 VAL 675 -1.294 3.465 7.791 251 3HG2 VAL 675 3HG2 VAL 675 -2.275 2.034 7.474 252 H SER 676 H SER 676 -4.030 7.039 7.475 253 HA SER 676 HA SER 676 -6.348 7.374 5.931 254 1HB SER 676 1HB SER 676 -5.293 8.922 7.740 255 2HB SER 676 2HB SER 676 -4.402 9.619 6.387 256 HG SER 676 HG SER 676 -7.199 9.537 6.797 257 H ALA 677 H ALA 677 -6.640 8.509 3.932 258 HA ALA 677 HA ALA 677 -4.621 7.791 1.973 259 1HB ALA 677 1HB ALA 677 -6.316 8.425 0.315 260 2HB ALA 677 2HB ALA 677 -6.941 7.265 1.488 261 3HB ALA 677 3HB ALA 677 -7.374 8.970 1.617 262 H PHE 678 H PHE 678 -6.330 10.727 3.026 263 HA PHE 678 HA PHE 678 -5.065 12.532 1.313 264 1HB PHE 678 1HB PHE 678 -6.239 12.908 4.070 265 2HB PHE 678 2HB PHE 678 -5.659 14.244 3.081 266 HD1 PHE 678 1HD PHE 678 -7.024 15.204 1.450 267 HD2 PHE 678 2HD PHE 678 -8.093 11.451 3.150 268 HE1 PHE 678 1HE PHE 678 -9.211 15.323 0.329 269 HE2 PHE 678 2HE PHE 678 -10.281 11.564 2.031 270 HZ PHE 678 HZ PHE 678 -10.842 13.501 0.618 271 H SER 679 H SER 679 -3.956 10.999 4.219 272 HA SER 679 HA SER 679 -1.883 12.798 4.889 273 1HB SER 679 1HB SER 679 -2.311 9.870 5.485 274 2HB SER 679 2HB SER 679 -0.923 10.768 6.098 275 HG SER 679 HG SER 679 -2.774 12.296 6.792 276 H THR 680 H THR 680 0.472 12.146 4.829 277 HA THR 680 HA THR 680 1.149 11.469 2.075 278 HB THR 680 HB THR 680 3.328 12.372 2.510 279 HG1 THR 680 1HG THR 680 2.566 11.995 5.172 280 1HG2 THR 680 1HG2 THR 680 2.173 14.490 4.012 281 2HG2 THR 680 2HG2 THR 680 0.934 13.851 2.931 282 3HG2 THR 680 3HG2 THR 680 2.472 14.413 2.276 283 H TRP 681 H TRP 681 3.073 10.093 1.677 284 HA TRP 681 HA TRP 681 2.751 7.561 2.904 285 1HB TRP 681 1HB TRP 681 3.491 7.388 0.717 286 2HB TRP 681 2HB TRP 681 4.634 8.717 0.888 287 HD1 TRP 681 HD TRP 681 7.046 8.148 1.877 288 HE1 TRP 681 1HE TRP 681 8.320 5.928 2.148 289 HE3 TRP 681 3HE TRP 681 3.155 4.895 1.234 290 HZ2 TRP 681 2HZ TRP 681 7.752 3.164 2.095 291 HZ3 TRP 681 3HZ TRP 681 3.605 2.479 1.359 292 HH2 TRP 681 HH TRP 681 5.856 1.633 1.780 293 H GLU 682 H GLU 682 4.945 10.229 3.433 294 HA GLU 682 HA GLU 682 6.943 8.930 4.889 295 1HB GLU 682 1HB GLU 682 5.909 11.740 4.829 296 2HB GLU 682 2HB GLU 682 7.090 11.278 6.046 297 1HG GLU 682 1HG GLU 682 7.662 10.591 3.217 298 2HG GLU 682 2HG GLU 682 7.803 12.277 3.713 299 H LYS 683 H LYS 683 4.120 10.713 6.146 300 HA LYS 683 HA LYS 683 4.473 10.090 8.835 301 1HB LYS 683 1HB LYS 683 2.158 10.922 7.156 302 2HB LYS 683 2HB LYS 683 1.817 10.305 8.768 303 1HG LYS 683 1HG LYS 683 1.969 12.678 8.895 304 2HG LYS 683 2HG LYS 683 3.397 11.998 9.680 305 1HD LYS 683 1HD LYS 683 4.799 12.600 7.909 306 2HD LYS 683 2HD LYS 683 3.449 12.809 6.791 307 1HE LYS 683 1HE LYS 683 3.858 14.547 9.214 308 2HE LYS 683 2HE LYS 683 4.543 14.928 7.634 309 1HZ LYS 683 1HZ LYS 683 2.040 14.536 6.931 310 2HZ LYS 683 2HZ LYS 683 2.596 16.042 7.463 311 3HZ LYS 683 3HZ LYS 683 1.767 15.022 8.528 312 H GLU 684 H GLU 684 2.226 8.510 6.552 313 HA GLU 684 HA GLU 684 1.396 6.452 8.209 314 1HB GLU 684 1HB GLU 684 1.809 6.267 5.220 315 2HB GLU 684 2HB GLU 684 0.741 5.265 6.193 316 1HG GLU 684 1HG GLU 684 0.458 8.227 5.741 317 2HG GLU 684 2HG GLU 684 -0.499 6.961 4.975 318 H LEU 685 H LEU 685 4.233 6.626 6.112 319 HA LEU 685 HA LEU 685 5.118 4.015 6.232 320 1HB LEU 685 1HB LEU 685 6.284 5.435 4.801 321 2HB LEU 685 2HB LEU 685 6.551 6.638 6.061 322 HG LEU 685 HG LEU 685 8.034 4.757 7.123 323 1HD1 LEU 685 1HD1 LEU 685 7.744 2.909 5.787 324 2HD1 LEU 685 2HD1 LEU 685 9.203 3.614 5.091 325 3HD1 LEU 685 3HD1 LEU 685 7.644 3.859 4.304 326 1HD2 LEU 685 1HD2 LEU 685 8.774 6.490 4.775 327 2HD2 LEU 685 2HD2 LEU 685 9.959 5.598 5.730 328 3HD2 LEU 685 3HD2 LEU 685 8.968 6.843 6.492 329 H HIS 686 H HIS 686 6.171 6.660 8.387 330 HA HIS 686 HA HIS 686 7.639 5.096 10.159 331 1HB HIS 686 1HB HIS 686 7.735 6.966 11.541 332 2HB HIS 686 2HB HIS 686 7.413 7.683 9.966 333 HD1 HIS 686 1HD HIS 686 5.729 9.470 10.112 334 HD2 HIS 686 2HD HIS 686 5.018 6.466 12.893 335 HE1 HIS 686 1HE HIS 686 3.673 10.190 11.370 336 H LYS 687 H LYS 687 4.197 5.717 9.993 337 HA LYS 687 HA LYS 687 3.504 4.735 12.549 338 1HB LYS 687 1HB LYS 687 1.946 5.005 9.981 339 2HB LYS 687 2HB LYS 687 1.220 4.406 11.467 340 1HG LYS 687 1HG LYS 687 1.775 6.510 12.584 341 2HG LYS 687 2HG LYS 687 2.492 7.110 11.087 342 1HD LYS 687 1HD LYS 687 0.139 6.504 10.090 343 2HD LYS 687 2HD LYS 687 -0.375 6.646 11.773 344 1HE LYS 687 1HE LYS 687 0.921 8.900 11.696 345 2HE LYS 687 2HE LYS 687 0.753 8.733 9.950 346 1HZ LYS 687 1HZ LYS 687 -1.564 8.813 10.099 347 2HZ LYS 687 2HZ LYS 687 -1.039 10.020 11.160 348 3HZ LYS 687 3HZ LYS 687 -1.572 8.534 11.768 349 H ILE 688 H ILE 688 4.110 3.177 9.481 350 HA ILE 688 HA ILE 688 3.474 0.574 10.705 351 HB ILE 688 HB ILE 688 3.302 -0.308 8.401 352 1HG1 ILE 688 1HG1 ILE 688 3.224 2.517 7.395 353 2HG1 ILE 688 2HG1 ILE 688 4.764 1.673 7.525 354 1HG2 ILE 688 1HG2 ILE 688 1.522 1.879 9.376 355 2HG2 ILE 688 2HG2 ILE 688 1.206 1.132 7.811 356 3HG2 ILE 688 3HG2 ILE 688 1.219 0.145 9.271 357 1HD1 ILE 688 1HD1 ILE 688 2.595 1.353 5.595 358 2HD1 ILE 688 2HD1 ILE 688 4.318 1.008 5.443 359 3HD1 ILE 688 3HD1 ILE 688 3.249 -0.162 6.216 360 H VAL 689 H VAL 689 6.013 2.418 10.453 361 HA VAL 689 HA VAL 689 7.903 0.747 9.085 362 HB VAL 689 HB VAL 689 8.080 3.278 9.468 363 1HG1 VAL 689 1HG1 VAL 689 9.512 2.581 11.989 364 2HG1 VAL 689 2HG1 VAL 689 8.822 4.121 11.473 365 3HG1 VAL 689 3HG1 VAL 689 7.766 2.823 12.029 366 1HG2 VAL 689 1HG2 VAL 689 10.206 3.071 8.803 367 2HG2 VAL 689 2HG2 VAL 689 10.679 2.231 10.280 368 3HG2 VAL 689 3HG2 VAL 689 9.948 1.332 8.951 369 H PHE 690 H PHE 690 6.810 1.150 12.388 370 HA PHE 690 HA PHE 690 8.910 -0.401 13.561 371 1HB PHE 690 1HB PHE 690 7.801 -0.096 15.608 372 2HB PHE 690 2HB PHE 690 7.420 1.364 14.702 373 HD1 PHE 690 1HD PHE 690 6.109 -1.781 16.032 374 HD2 PHE 690 2HD PHE 690 5.183 1.799 13.924 375 HE1 PHE 690 1HE PHE 690 3.709 -2.208 16.368 376 HE2 PHE 690 2HE PHE 690 2.782 1.379 14.257 377 HZ PHE 690 HZ PHE 690 2.042 -0.626 15.481 378 H ASP 691 H ASP 691 5.797 -1.076 12.169 379 HA ASP 691 HA ASP 691 5.338 -3.610 13.307 380 1HB ASP 691 1HB ASP 691 3.693 -2.178 11.998 381 2HB ASP 691 2HB ASP 691 4.481 -2.769 10.538 382 HA PRO 692 HA PRO 692 8.389 -6.099 11.327 383 1HB PRO 692 1HB PRO 692 7.219 -8.523 11.679 384 2HB PRO 692 2HB PRO 692 7.993 -7.630 12.994 385 1HG PRO 692 1HG PRO 692 5.089 -7.834 12.297 386 2HG PRO 692 2HG PRO 692 5.865 -7.906 13.890 387 1HD PRO 692 1HD PRO 692 4.653 -5.671 12.958 388 2HD PRO 692 2HD PRO 692 6.063 -5.614 14.035 389 H ARG 693 H ARG 693 4.980 -6.687 10.508 390 HA ARG 693 HA ARG 693 5.377 -8.130 8.155 391 1HB ARG 693 1HB ARG 693 3.139 -6.274 8.967 392 2HB ARG 693 2HB ARG 693 3.090 -7.275 7.523 393 1HG ARG 693 1HG ARG 693 3.344 -9.278 8.948 394 2HG ARG 693 2HG ARG 693 3.271 -8.235 10.370 395 1HD ARG 693 1HD ARG 693 1.096 -8.017 8.356 396 2HD ARG 693 2HD ARG 693 1.119 -9.437 9.400 397 HE ARG 693 HE ARG 693 1.377 -6.938 10.806 398 1HH1 ARG 693 2HH1 ARG 693 -0.830 -9.296 9.507 399 2HH1 ARG 693 1HH1 ARG 693 -2.127 -8.861 10.571 400 1HH2 ARG 693 2HH2 ARG 693 -0.322 -6.355 12.211 401 2HH2 ARG 693 1HH2 ARG 693 -1.837 -7.187 12.108 402 H TYR 694 H TYR 694 5.835 -4.788 8.823 403 HA TYR 694 HA TYR 694 5.526 -3.758 6.205 404 1HB TYR 694 1HB TYR 694 5.483 -2.148 7.908 405 2HB TYR 694 2HB TYR 694 6.931 -2.787 8.678 406 HD1 TYR 694 1HD TYR 694 9.149 -2.250 7.801 407 HD2 TYR 694 2HD TYR 694 5.633 -0.622 6.041 408 HE1 TYR 694 1HE TYR 694 10.519 -0.582 6.621 409 HE2 TYR 694 2HE TYR 694 6.994 1.049 4.855 410 HH TYR 694 HH TYR 694 9.446 1.198 4.061 411 H LEU 695 H LEU 695 7.696 -5.962 7.330 412 HA LEU 695 HA LEU 695 9.799 -5.102 5.457 413 1HB LEU 695 1HB LEU 695 10.004 -7.035 7.761 414 2HB LEU 695 2HB LEU 695 11.325 -6.523 6.714 415 HG LEU 695 HG LEU 695 9.803 -4.598 8.454 416 1HD1 LEU 695 1HD1 LEU 695 12.438 -5.289 9.411 417 2HD1 LEU 695 2HD1 LEU 695 11.368 -6.690 9.396 418 3HD1 LEU 695 3HD1 LEU 695 10.902 -5.235 10.276 419 1HD2 LEU 695 1HD2 LEU 695 12.030 -4.450 6.576 420 2HD2 LEU 695 2HD2 LEU 695 12.383 -3.724 8.144 421 3HD2 LEU 695 3HD2 LEU 695 10.992 -3.173 7.209 422 H LEU 696 H LEU 696 7.335 -7.357 5.973 423 HA LEU 696 HA LEU 696 8.390 -9.661 4.759 424 1HB LEU 696 1HB LEU 696 5.617 -8.600 5.139 425 2HB LEU 696 2HB LEU 696 5.896 -10.070 4.208 426 HG LEU 696 HG LEU 696 6.849 -9.756 7.044 427 1HD1 LEU 696 1HD1 LEU 696 4.854 -10.903 7.776 428 2HD1 LEU 696 2HD1 LEU 696 4.240 -10.954 6.124 429 3HD1 LEU 696 3HD1 LEU 696 4.411 -9.407 6.954 430 1HD2 LEU 696 1HD2 LEU 696 6.632 -12.281 6.898 431 2HD2 LEU 696 2HD2 LEU 696 7.940 -11.545 5.970 432 3HD2 LEU 696 3HD2 LEU 696 6.463 -12.063 5.156 433 H LEU 697 H LEU 697 6.576 -6.929 3.399 434 HA LEU 697 HA LEU 697 6.996 -7.964 0.703 435 1HB LEU 697 1HB LEU 697 5.321 -5.784 1.882 436 2HB LEU 697 2HB LEU 697 5.664 -5.804 0.153 437 HG LEU 697 HG LEU 697 4.343 -8.079 1.625 438 1HD1 LEU 697 1HD1 LEU 697 2.373 -7.061 1.500 439 2HD1 LEU 697 2HD1 LEU 697 2.648 -6.588 -0.176 440 3HD1 LEU 697 3HD1 LEU 697 3.248 -5.573 1.137 441 1HD2 LEU 697 1HD2 LEU 697 3.582 -8.241 -0.963 442 2HD2 LEU 697 2HD2 LEU 697 4.963 -9.102 -0.281 443 3HD2 LEU 697 3HD2 LEU 697 5.208 -7.581 -1.142 444 H ASN 698 H ASN 698 8.258 -6.994 -0.828 445 HA ASN 698 HA ASN 698 10.561 -5.679 -0.129 446 1HB ASN 698 1HB ASN 698 9.057 -6.023 -2.666 447 2HB ASN 698 2HB ASN 698 10.298 -4.773 -2.647 448 1HD2 ASN 698 1HD2 ASN 698 11.481 -5.980 -4.171 449 2HD2 ASN 698 2HD2 ASN 698 12.401 -7.363 -3.696 450 HA PRO 699 HA PRO 699 9.707 -1.434 0.574 451 1HB PRO 699 1HB PRO 699 11.744 -0.181 -0.711 452 2HB PRO 699 2HB PRO 699 11.970 -1.098 0.783 453 1HG PRO 699 1HG PRO 699 12.487 -1.929 -2.046 454 2HG PRO 699 2HG PRO 699 13.479 -2.200 -0.602 455 1HD PRO 699 1HD PRO 699 11.873 -4.113 -1.646 456 2HD PRO 699 2HD PRO 699 12.201 -3.987 0.094 457 H LYS 700 H LYS 700 10.291 -2.326 -2.787 458 HA LYS 700 HA LYS 700 9.203 0.063 -3.903 459 1HB LYS 700 1HB LYS 700 10.782 -1.322 -5.154 460 2HB LYS 700 2HB LYS 700 9.643 -2.662 -5.139 461 1HG LYS 700 1HG LYS 700 8.065 -1.290 -6.452 462 2HG LYS 700 2HG LYS 700 9.284 -0.016 -6.531 463 1HD LYS 700 1HD LYS 700 9.481 -1.208 -8.557 464 2HD LYS 700 2HD LYS 700 10.825 -1.759 -7.553 465 1HE LYS 700 1HE LYS 700 9.591 -3.758 -6.953 466 2HE LYS 700 2HE LYS 700 8.190 -3.195 -7.861 467 1HZ LYS 700 1HZ LYS 700 10.739 -4.257 -8.849 468 2HZ LYS 700 2HZ LYS 700 9.911 -3.131 -9.801 469 3HZ LYS 700 3HZ LYS 700 9.163 -4.586 -9.369 470 H GLU 701 H GLU 701 7.939 -3.223 -3.424 471 HA GLU 701 HA GLU 701 5.420 -2.800 -4.580 472 1HB GLU 701 1HB GLU 701 6.425 -4.737 -2.510 473 2HB GLU 701 2HB GLU 701 4.739 -4.726 -3.007 474 1HG GLU 701 1HG GLU 701 6.902 -4.907 -5.056 475 2HG GLU 701 2HG GLU 701 6.410 -6.338 -4.151 476 H ARG 702 H ARG 702 6.443 -2.601 -1.177 477 HA ARG 702 HA ARG 702 4.116 -2.050 0.098 478 1HB ARG 702 1HB ARG 702 6.855 -0.866 0.483 479 2HB ARG 702 2HB ARG 702 5.516 -0.438 1.539 480 1HG ARG 702 1HG ARG 702 5.269 -2.728 2.236 481 2HG ARG 702 2HG ARG 702 6.495 -3.246 1.078 482 1HD ARG 702 1HD ARG 702 7.232 -1.156 3.057 483 2HD ARG 702 2HD ARG 702 7.064 -2.814 3.630 484 HE ARG 702 HE ARG 702 8.662 -2.827 1.333 485 1HH1 ARG 702 2HH1 ARG 702 8.760 -1.718 4.631 486 2HH1 ARG 702 1HH1 ARG 702 10.483 -1.851 4.762 487 1HH2 ARG 702 2HH2 ARG 702 10.930 -3.007 1.492 488 2HH2 ARG 702 1HH2 ARG 702 11.716 -2.584 2.976 489 H LYS 703 H LYS 703 6.047 0.257 -1.772 490 HA LYS 703 HA LYS 703 4.348 2.484 -1.253 491 1HB LYS 703 1HB LYS 703 6.609 2.934 -1.869 492 2HB LYS 703 2HB LYS 703 6.473 1.966 -3.330 493 1HG LYS 703 1HG LYS 703 6.340 4.088 -4.179 494 2HG LYS 703 2HG LYS 703 4.631 3.698 -3.969 495 1HD LYS 703 1HD LYS 703 4.654 4.869 -1.802 496 2HD LYS 703 2HD LYS 703 6.347 5.293 -2.064 497 1HE LYS 703 1HE LYS 703 4.224 6.026 -4.053 498 2HE LYS 703 2HE LYS 703 4.546 7.035 -2.643 499 1HZ LYS 703 1HZ LYS 703 5.775 7.741 -4.632 500 2HZ LYS 703 2HZ LYS 703 6.582 6.255 -4.658 501 3HZ LYS 703 3HZ LYS 703 6.806 7.315 -3.360 502 H GLN 704 H GLN 704 4.641 0.183 -3.928 503 HA GLN 704 HA GLN 704 2.785 1.368 -5.657 504 1HB GLN 704 1HB GLN 704 3.949 -1.352 -5.343 505 2HB GLN 704 2HB GLN 704 2.508 -1.196 -6.340 506 1HG GLN 704 1HG GLN 704 4.890 0.564 -6.771 507 2HG GLN 704 2HG GLN 704 4.802 -1.052 -7.469 508 1HE2 GLN 704 1HE2 GLN 704 4.057 -1.120 -9.453 509 2HE2 GLN 704 2HE2 GLN 704 2.956 0.001 -10.173 510 H VAL 705 H VAL 705 2.296 -1.382 -3.435 511 HA VAL 705 HA VAL 705 -0.453 -1.641 -3.792 512 HB VAL 705 HB VAL 705 1.207 -2.238 -1.341 513 1HG1 VAL 705 1HG1 VAL 705 -1.091 -2.030 -0.666 514 2HG1 VAL 705 2HG1 VAL 705 -1.622 -3.036 -2.015 515 3HG1 VAL 705 3HG1 VAL 705 -0.666 -3.740 -0.710 516 1HG2 VAL 705 1HG2 VAL 705 0.419 -3.807 -3.768 517 2HG2 VAL 705 2HG2 VAL 705 2.014 -3.605 -3.043 518 3HG2 VAL 705 3HG2 VAL 705 0.807 -4.619 -2.252 519 H PHE 706 H PHE 706 1.355 0.329 -1.465 520 HA PHE 706 HA PHE 706 -0.849 1.291 -0.018 521 1HB PHE 706 1HB PHE 706 1.235 1.634 0.997 522 2HB PHE 706 2HB PHE 706 1.940 2.315 -0.466 523 HD1 PHE 706 1HD PHE 706 1.718 4.630 -0.988 524 HD2 PHE 706 2HD PHE 706 -0.266 2.977 2.395 525 HE1 PHE 706 1HE PHE 706 1.243 6.899 -0.162 526 HE2 PHE 706 2HE PHE 706 -0.745 5.243 3.226 527 HZ PHE 706 HZ PHE 706 0.009 7.207 1.947 528 H ASP 707 H ASP 707 0.805 2.568 -2.876 529 HA ASP 707 HA ASP 707 -0.522 4.997 -3.113 530 1HB ASP 707 1HB ASP 707 1.446 4.118 -4.485 531 2HB ASP 707 2HB ASP 707 0.248 3.291 -5.477 532 H GLN 708 H GLN 708 -1.405 1.840 -4.495 533 HA GLN 708 HA GLN 708 -3.757 2.711 -5.771 534 1HB GLN 708 1HB GLN 708 -3.204 -0.056 -4.693 535 2HB GLN 708 2HB GLN 708 -4.324 0.373 -5.978 536 1HG GLN 708 1HG GLN 708 -2.150 1.334 -7.100 537 2HG GLN 708 2HG GLN 708 -1.361 0.179 -6.027 538 1HE2 GLN 708 1HE2 GLN 708 -0.884 -0.368 -8.483 539 2HE2 GLN 708 2HE2 GLN 708 -1.865 -1.643 -9.112 540 H TYR 709 H TYR 709 -3.136 1.501 -2.521 541 HA TYR 709 HA TYR 709 -5.841 1.241 -1.735 542 1HB TYR 709 1HB TYR 709 -4.335 0.092 -0.370 543 2HB TYR 709 2HB TYR 709 -3.238 1.464 -0.256 544 HD1 TYR 709 1HD TYR 709 -5.626 -0.409 1.474 545 HD2 TYR 709 2HD TYR 709 -4.318 3.601 0.918 546 HE1 TYR 709 1HE TYR 709 -6.641 0.214 3.626 547 HE2 TYR 709 2HE TYR 709 -5.329 4.235 3.069 548 HH TYR 709 HH TYR 709 -7.524 2.310 4.706 549 H VAL 710 H VAL 710 -3.535 3.902 -1.597 550 HA VAL 710 HA VAL 710 -5.210 5.630 -0.060 551 HB VAL 710 HB VAL 710 -2.836 6.273 -1.815 552 1HG1 VAL 710 1HG1 VAL 710 -3.422 8.131 0.335 553 2HG1 VAL 710 2HG1 VAL 710 -3.100 8.442 -1.372 554 3HG1 VAL 710 3HG1 VAL 710 -4.732 8.036 -0.841 555 1HG2 VAL 710 1HG2 VAL 710 -2.117 6.652 0.812 556 2HG2 VAL 710 2HG2 VAL 710 -3.123 5.205 0.882 557 3HG2 VAL 710 3HG2 VAL 710 -1.713 5.247 -0.175 558 H LYS 711 H LYS 711 -4.294 5.593 -3.506 559 HA LYS 711 HA LYS 711 -5.806 7.699 -4.413 560 1HB LYS 711 1HB LYS 711 -4.195 6.089 -5.673 561 2HB LYS 711 2HB LYS 711 -5.651 5.161 -6.009 562 1HG LYS 711 1HG LYS 711 -6.519 6.758 -7.397 563 2HG LYS 711 2HG LYS 711 -5.650 8.075 -6.606 564 1HD LYS 711 1HD LYS 711 -4.237 5.945 -8.189 565 2HD LYS 711 2HD LYS 711 -4.875 7.408 -8.942 566 1HE LYS 711 1HE LYS 711 -3.543 8.650 -7.111 567 2HE LYS 711 2HE LYS 711 -2.682 7.124 -6.918 568 1HZ LYS 711 1HZ LYS 711 -1.738 8.854 -8.524 569 2HZ LYS 711 2HZ LYS 711 -2.973 8.374 -9.576 570 3HZ LYS 711 3HZ LYS 711 -1.822 7.249 -9.053 571 H THR 712 H THR 712 -6.843 4.299 -4.183 572 HA THR 712 HA THR 712 -9.500 4.773 -5.023 573 HB THR 712 HB THR 712 -9.946 2.535 -3.841 574 HG1 THR 712 1HG THR 712 -7.750 1.454 -3.578 575 1HG2 THR 712 1HG2 THR 712 -7.746 1.987 -5.695 576 2HG2 THR 712 2HG2 THR 712 -8.925 3.147 -6.307 577 3HG2 THR 712 3HG2 THR 712 -9.450 1.543 -5.795 578 H ARG 713 H ARG 713 -7.948 4.756 -1.864 579 HA ARG 713 HA ARG 713 -10.307 4.841 -0.311 580 1HB ARG 713 1HB ARG 713 -7.436 5.550 0.197 581 2HB ARG 713 2HB ARG 713 -8.665 5.930 1.396 582 1HG ARG 713 1HG ARG 713 -8.580 3.165 0.324 583 2HG ARG 713 2HG ARG 713 -7.314 3.665 1.447 584 1HD ARG 713 1HD ARG 713 -10.288 3.793 1.933 585 2HD ARG 713 2HD ARG 713 -9.167 2.629 2.637 586 HE ARG 713 HE ARG 713 -8.274 5.201 3.271 587 1HH1 ARG 713 2HH1 ARG 713 -10.944 3.079 3.967 588 2HH1 ARG 713 1HH1 ARG 713 -11.240 3.752 5.536 589 1HH2 ARG 713 2HH2 ARG 713 -8.653 6.096 5.334 590 2HH2 ARG 713 1HH2 ARG 713 -9.936 5.469 6.313 591 H ALA 714 H ALA 714 -8.371 7.316 -1.870 592 HA ALA 714 HA ALA 714 -9.683 9.518 -0.589 593 1HB ALA 714 1HB ALA 714 -8.517 10.385 -3.005 594 2HB ALA 714 2HB ALA 714 -7.886 10.559 -1.367 595 3HB ALA 714 3HB ALA 714 -7.454 9.148 -2.334 596 H GLU 715 H GLU 715 -9.803 8.159 -3.884 597 HA GLU 715 HA GLU 715 -11.738 9.836 -4.942 598 1HB GLU 715 1HB GLU 715 -11.852 8.379 -6.718 599 2HB GLU 715 2HB GLU 715 -10.317 7.897 -6.010 600 1HG GLU 715 1HG GLU 715 -11.583 6.116 -4.761 601 2HG GLU 715 2HG GLU 715 -12.973 6.517 -5.768 602 H GLU 716 H GLU 716 -12.140 6.843 -3.096 603 HA GLU 716 HA GLU 716 -15.025 7.001 -3.240 604 1HB GLU 716 1HB GLU 716 -13.035 5.070 -2.181 605 2HB GLU 716 2HB GLU 716 -14.612 5.086 -1.405 606 1HG GLU 716 1HG GLU 716 -15.700 4.637 -3.507 607 2HG GLU 716 2HG GLU 716 -14.162 4.748 -4.361 608 H GLU 717 H GLU 717 -13.380 9.131 -1.913 609 HA GLU 717 HA GLU 717 -13.302 9.288 0.744 610 1HB GLU 717 1HB GLU 717 -13.804 11.622 0.632 611 2HB GLU 717 2HB GLU 717 -12.974 11.191 -0.857 612 1HG GLU 717 1HG GLU 717 -15.216 11.017 -1.953 613 2HG GLU 717 2HG GLU 717 -15.914 11.685 -0.479 614 H ARG 718 H ARG 718 -14.591 9.013 2.449 615 HA ARG 718 HA ARG 718 -17.498 8.896 1.981 616 1HB ARG 718 1HB ARG 718 -15.727 7.242 3.768 617 2HB ARG 718 2HB ARG 718 -17.461 7.351 4.033 618 1HG ARG 718 1HG ARG 718 -17.948 6.304 1.985 619 2HG ARG 718 2HG ARG 718 -16.295 6.507 1.401 620 1HD ARG 718 1HD ARG 718 -16.196 4.318 2.024 621 2HD ARG 718 2HD ARG 718 -15.749 5.070 3.555 622 HE ARG 718 HE ARG 718 -17.620 4.140 4.446 623 1HH1 ARG 718 2HH1 ARG 718 -18.139 4.567 1.030 624 2HH1 ARG 718 1HH1 ARG 718 -19.714 3.845 1.047 625 1HH2 ARG 718 2HH2 ARG 718 -19.692 3.187 4.481 626 2HH2 ARG 718 1HH2 ARG 718 -20.597 3.061 3.011 627 H ARG 719 H ARG 719 -18.525 10.550 2.873 628 HA ARG 719 HA ARG 719 -17.332 12.227 4.845 629 1HB ARG 719 1HB ARG 719 -19.991 12.119 3.474 630 2HB ARG 719 2HB ARG 719 -19.795 13.140 4.893 631 1HG ARG 719 1HG ARG 719 -18.229 14.511 3.839 632 2HG ARG 719 2HG ARG 719 -17.912 13.325 2.571 633 1HD ARG 719 1HD ARG 719 -20.027 13.721 1.559 634 2HD ARG 719 2HD ARG 719 -20.577 14.674 2.936 635 HE ARG 719 HE ARG 719 -18.257 15.801 1.725 636 1HH1 ARG 719 2HH1 ARG 719 -21.711 15.500 1.411 637 2HH1 ARG 719 1HH1 ARG 719 -21.890 16.976 0.522 638 1HH2 ARG 719 2HH2 ARG 719 -18.479 17.746 0.555 639 2HH2 ARG 719 1HH2 ARG 719 -20.051 18.253 0.035 640 H SER 720 H SER 720 -16.991 11.351 6.807 641 HA SER 720 HA SER 720 -17.446 10.591 8.905 642 1HB SER 720 1HB SER 720 -19.448 12.199 8.565 643 2HB SER 720 2HB SER 720 -20.395 10.732 8.317 644 HG SER 720 HG SER 720 -19.365 11.789 10.626 645 H GLY 721 H GLY 721 -16.965 8.732 6.881 646 1HA GLY 721 1HA GLY 721 -18.888 6.625 6.883 647 2HA GLY 721 2HA GLY 721 -17.226 6.513 6.322 648 HA PRO 722 HA PRO 722 -17.557 3.861 10.076 649 1HB PRO 722 1HB PRO 722 -16.009 1.870 9.072 650 2HB PRO 722 2HB PRO 722 -17.747 1.982 8.768 651 1HG PRO 722 1HG PRO 722 -15.461 2.808 7.020 652 2HG PRO 722 2HG PRO 722 -16.953 1.957 6.582 653 1HD PRO 722 1HD PRO 722 -16.611 4.609 6.159 654 2HD PRO 722 2HD PRO 722 -18.194 3.898 6.532 655 H SER 723 H SER 723 -15.880 3.175 11.542 656 HA SER 723 HA SER 723 -13.366 4.660 11.154 657 1HB SER 723 1HB SER 723 -13.228 4.671 13.657 658 2HB SER 723 2HB SER 723 -14.612 5.556 13.018 659 HG SER 723 HG SER 723 -14.533 3.292 14.568 660 H SER 724 H SER 724 -14.756 1.679 12.470 661 HA SER 724 HA SER 724 -12.082 0.486 12.578 662 1HB SER 724 1HB SER 724 -13.257 -1.381 13.783 663 2HB SER 724 2HB SER 724 -13.357 0.179 14.598 664 HG SER 724 HG SER 724 -15.383 -0.885 14.524 665 H GLY 725 H GLY 725 -11.656 -1.559 11.611 666 1HA GLY 725 1HA GLY 725 -13.356 -2.070 9.253 667 2HA GLY 725 2HA GLY 725 -11.625 -2.370 9.318 Start of MODEL 18 1 1H GLY 644 H GLY 644 -11.101 -12.199 26.422 2 1HA GLY 644 1HA GLY 644 -9.913 -11.946 28.392 3 2HA GLY 644 2HA GLY 644 -10.622 -13.518 28.733 4 H SER 645 H SER 645 -9.387 -15.407 27.746 5 HA SER 645 HA SER 645 -6.511 -14.936 28.169 6 1HB SER 645 1HB SER 645 -7.442 -16.409 29.856 7 2HB SER 645 2HB SER 645 -8.165 -17.432 28.616 8 HG SER 645 HG SER 645 -6.238 -18.256 28.140 9 H SER 646 H SER 646 -5.606 -14.694 26.215 10 HA SER 646 HA SER 646 -6.523 -16.166 23.914 11 1HB SER 646 1HB SER 646 -4.971 -14.877 22.657 12 2HB SER 646 2HB SER 646 -5.605 -13.786 23.889 13 HG SER 646 HG SER 646 -3.698 -13.693 24.799 14 H GLY 647 H GLY 647 -5.323 -17.685 22.716 15 1HA GLY 647 1HA GLY 647 -2.947 -18.814 24.018 16 2HA GLY 647 2HA GLY 647 -4.323 -19.869 23.727 17 H SER 648 H SER 648 -2.350 -17.498 21.934 18 HA SER 648 HA SER 648 -2.550 -19.238 19.576 19 1HB SER 648 1HB SER 648 -2.099 -17.339 18.232 20 2HB SER 648 2HB SER 648 -3.214 -16.767 19.473 21 HG SER 648 HG SER 648 -1.034 -16.293 20.596 22 H SER 649 H SER 649 -0.899 -20.547 19.210 23 HA SER 649 HA SER 649 1.616 -20.247 20.531 24 1HB SER 649 1HB SER 649 0.695 -22.467 20.044 25 2HB SER 649 2HB SER 649 0.788 -22.137 18.314 26 HG SER 649 HG SER 649 3.052 -22.046 20.010 27 H GLY 650 H GLY 650 3.609 -19.699 19.690 28 1HA GLY 650 1HA GLY 650 3.626 -17.776 17.605 29 2HA GLY 650 2HA GLY 650 5.042 -18.456 18.393 30 H ALA 651 H ALA 651 6.343 -18.956 16.727 31 HA ALA 651 HA ALA 651 5.349 -20.955 14.822 32 1HB ALA 651 1HB ALA 651 5.229 -18.868 13.628 33 2HB ALA 651 2HB ALA 651 6.888 -18.472 14.079 34 3HB ALA 651 3HB ALA 651 6.569 -19.823 12.991 35 H ARG 652 H ARG 652 7.168 -22.038 13.642 36 HA ARG 652 HA ARG 652 9.533 -22.252 15.388 37 1HB ARG 652 1HB ARG 652 8.109 -24.409 13.823 38 2HB ARG 652 2HB ARG 652 9.664 -24.632 14.614 39 1HG ARG 652 1HG ARG 652 8.610 -24.103 16.777 40 2HG ARG 652 2HG ARG 652 7.052 -23.973 15.958 41 1HD ARG 652 1HD ARG 652 7.107 -26.279 15.336 42 2HD ARG 652 2HD ARG 652 8.773 -26.443 15.889 43 HE ARG 652 HE ARG 652 6.398 -26.548 17.496 44 1HH1 ARG 652 2HH1 ARG 652 9.809 -25.851 17.490 45 2HH1 ARG 652 1HH1 ARG 652 10.009 -26.168 19.181 46 1HH2 ARG 652 2HH2 ARG 652 6.649 -26.968 19.724 47 2HH2 ARG 652 1HH2 ARG 652 8.211 -26.804 20.451 48 H GLU 653 H GLU 653 8.442 -22.928 12.059 49 HA GLU 653 HA GLU 653 11.103 -22.072 11.125 50 1HB GLU 653 1HB GLU 653 9.244 -24.151 9.962 51 2HB GLU 653 2HB GLU 653 10.681 -23.552 9.144 52 1HG GLU 653 1HG GLU 653 12.088 -24.410 10.912 53 2HG GLU 653 2HG GLU 653 10.670 -24.935 11.817 54 H ARG 654 H ARG 654 11.207 -20.882 9.174 55 HA ARG 654 HA ARG 654 8.686 -19.516 8.500 56 1HB ARG 654 1HB ARG 654 10.242 -17.972 9.481 57 2HB ARG 654 2HB ARG 654 11.538 -18.529 8.430 58 1HG ARG 654 1HG ARG 654 9.998 -17.721 6.512 59 2HG ARG 654 2HG ARG 654 9.193 -16.798 7.783 60 1HD ARG 654 1HD ARG 654 12.168 -16.689 7.429 61 2HD ARG 654 2HD ARG 654 11.098 -15.677 6.459 62 HE ARG 654 HE ARG 654 10.307 -15.248 9.039 63 1HH1 ARG 654 2HH1 ARG 654 13.305 -14.972 7.293 64 2HH1 ARG 654 1HH1 ARG 654 13.910 -13.680 8.276 65 1HH2 ARG 654 2HH2 ARG 654 11.092 -13.548 10.341 66 2HH2 ARG 654 1HH2 ARG 654 12.651 -12.872 10.011 67 H ALA 655 H ALA 655 7.951 -19.622 6.471 68 HA ALA 655 HA ALA 655 9.734 -20.766 4.421 69 1HB ALA 655 1HB ALA 655 8.074 -22.102 3.643 70 2HB ALA 655 2HB ALA 655 7.533 -21.972 5.317 71 3HB ALA 655 3HB ALA 655 6.800 -20.960 4.073 72 H ILE 656 H ILE 656 8.669 -20.275 2.129 73 HA ILE 656 HA ILE 656 8.628 -17.370 1.943 74 HB ILE 656 HB ILE 656 8.674 -19.410 -0.283 75 1HG1 ILE 656 1HG1 ILE 656 10.997 -17.797 0.774 76 2HG1 ILE 656 2HG1 ILE 656 10.647 -19.432 1.323 77 1HG2 ILE 656 1HG2 ILE 656 7.839 -17.066 -0.773 78 2HG2 ILE 656 2HG2 ILE 656 9.475 -16.516 -0.414 79 3HG2 ILE 656 3HG2 ILE 656 9.194 -17.636 -1.747 80 1HD1 ILE 656 1HD1 ILE 656 11.140 -20.358 -0.760 81 2HD1 ILE 656 2HD1 ILE 656 11.033 -18.798 -1.577 82 3HD1 ILE 656 3HD1 ILE 656 12.390 -19.141 -0.505 83 H VAL 657 H VAL 657 6.584 -16.758 2.581 84 HA VAL 657 HA VAL 657 4.181 -17.984 1.809 85 HB VAL 657 HB VAL 657 3.180 -15.670 2.307 86 1HG1 VAL 657 1HG1 VAL 657 2.844 -16.590 4.298 87 2HG1 VAL 657 2HG1 VAL 657 4.137 -17.743 3.961 88 3HG1 VAL 657 3HG1 VAL 657 4.501 -16.223 4.778 89 1HG2 VAL 657 1HG2 VAL 657 5.755 -14.824 1.995 90 2HG2 VAL 657 2HG2 VAL 657 4.491 -13.926 2.836 91 3HG2 VAL 657 3HG2 VAL 657 5.618 -14.928 3.750 92 HA PRO 658 HA PRO 658 3.545 -16.729 -2.353 93 1HB PRO 658 1HB PRO 658 0.836 -16.564 -2.415 94 2HB PRO 658 2HB PRO 658 1.703 -18.103 -2.348 95 1HG PRO 658 1HG PRO 658 0.399 -16.565 -0.135 96 2HG PRO 658 2HG PRO 658 0.365 -18.308 -0.457 97 1HD PRO 658 1HD PRO 658 1.986 -17.203 1.408 98 2HD PRO 658 2HD PRO 658 2.440 -18.651 0.486 99 H LEU 659 H LEU 659 3.168 -14.929 -3.625 100 HA LEU 659 HA LEU 659 3.500 -12.420 -2.635 101 1HB LEU 659 1HB LEU 659 3.558 -13.145 -5.040 102 2HB LEU 659 2HB LEU 659 1.801 -13.014 -5.049 103 HG LEU 659 HG LEU 659 1.955 -10.624 -4.631 104 1HD1 LEU 659 1HD1 LEU 659 4.215 -9.543 -4.767 105 2HD1 LEU 659 2HD1 LEU 659 4.917 -11.146 -4.553 106 3HD1 LEU 659 3HD1 LEU 659 3.904 -10.451 -3.287 107 1HD2 LEU 659 1HD2 LEU 659 2.794 -11.965 -6.974 108 2HD2 LEU 659 2HD2 LEU 659 3.808 -10.533 -6.794 109 3HD2 LEU 659 3HD2 LEU 659 2.051 -10.372 -6.832 110 H GLU 660 H GLU 660 0.461 -14.151 -3.016 111 HA GLU 660 HA GLU 660 -1.215 -11.936 -2.390 112 1HB GLU 660 1HB GLU 660 -1.701 -14.915 -2.346 113 2HB GLU 660 2HB GLU 660 -2.952 -13.726 -2.013 114 1HG GLU 660 1HG GLU 660 -2.231 -12.749 -4.324 115 2HG GLU 660 2HG GLU 660 -1.583 -14.369 -4.577 116 H ALA 661 H ALA 661 0.431 -14.379 -0.513 117 HA ALA 661 HA ALA 661 -0.985 -14.034 1.910 118 1HB ALA 661 1HB ALA 661 0.219 -15.978 1.929 119 2HB ALA 661 2HB ALA 661 1.618 -15.250 1.138 120 3HB ALA 661 3HB ALA 661 1.306 -14.933 2.844 121 H ARG 662 H ARG 662 2.206 -12.789 0.905 122 HA ARG 662 HA ARG 662 2.626 -11.164 3.146 123 1HB ARG 662 1HB ARG 662 4.051 -9.844 1.309 124 2HB ARG 662 2HB ARG 662 4.576 -11.378 1.991 125 1HG ARG 662 1HG ARG 662 2.858 -11.534 -0.402 126 2HG ARG 662 2HG ARG 662 4.480 -10.880 -0.636 127 1HD ARG 662 1HD ARG 662 3.967 -13.459 0.823 128 2HD ARG 662 2HD ARG 662 4.202 -13.390 -0.923 129 HE ARG 662 HE ARG 662 6.219 -13.232 1.073 130 1HH1 ARG 662 2HH1 ARG 662 5.332 -12.048 -2.078 131 2HH1 ARG 662 1HH1 ARG 662 6.967 -11.771 -2.579 132 1HH2 ARG 662 2HH2 ARG 662 8.377 -12.871 0.426 133 2HH2 ARG 662 1HH2 ARG 662 8.698 -12.241 -1.154 134 H MET 663 H MET 663 1.468 -10.243 -0.101 135 HA MET 663 HA MET 663 0.996 -7.567 0.349 136 1HB MET 663 1HB MET 663 -0.445 -9.557 -1.394 137 2HB MET 663 2HB MET 663 -0.859 -7.848 -1.391 138 1HG MET 663 1HG MET 663 1.603 -7.427 -1.900 139 2HG MET 663 2HG MET 663 1.695 -9.149 -2.260 140 1HE MET 663 1HE MET 663 1.911 -6.133 -3.745 141 2HE MET 663 2HE MET 663 2.536 -7.406 -4.793 142 3HE MET 663 3HE MET 663 1.267 -6.328 -5.375 143 H LYS 664 H LYS 664 -1.223 -10.285 0.912 144 HA LYS 664 HA LYS 664 -3.448 -8.861 1.755 145 1HB LYS 664 1HB LYS 664 -2.400 -11.599 2.368 146 2HB LYS 664 2HB LYS 664 -3.809 -10.998 3.232 147 1HG LYS 664 1HG LYS 664 -3.782 -10.820 0.264 148 2HG LYS 664 2HG LYS 664 -4.049 -12.392 1.020 149 1HD LYS 664 1HD LYS 664 -6.209 -11.656 0.888 150 2HD LYS 664 2HD LYS 664 -5.771 -11.005 2.470 151 1HE LYS 664 1HE LYS 664 -5.688 -8.850 1.711 152 2HE LYS 664 2HE LYS 664 -5.245 -9.328 0.073 153 1HZ LYS 664 1HZ LYS 664 -7.495 -10.027 -0.330 154 2HZ LYS 664 2HZ LYS 664 -7.508 -8.429 0.224 155 3HZ LYS 664 3HZ LYS 664 -7.940 -9.689 1.267 156 H GLN 665 H GLN 665 -0.692 -10.024 3.665 157 HA GLN 665 HA GLN 665 -1.606 -9.207 6.179 158 1HB GLN 665 1HB GLN 665 1.211 -9.471 5.119 159 2HB GLN 665 2HB GLN 665 0.818 -9.213 6.814 160 1HG GLN 665 1HG GLN 665 -0.466 -11.320 6.801 161 2HG GLN 665 2HG GLN 665 0.043 -11.586 5.134 162 1HE2 GLN 665 1HE2 GLN 665 0.785 -12.057 8.374 163 2HE2 GLN 665 2HE2 GLN 665 2.403 -12.630 8.186 164 H PHE 666 H PHE 666 0.515 -7.511 3.877 165 HA PHE 666 HA PHE 666 0.898 -5.187 5.368 166 1HB PHE 666 1HB PHE 666 2.067 -5.910 3.211 167 2HB PHE 666 2HB PHE 666 0.687 -5.222 2.361 168 HD1 PHE 666 1HD PHE 666 3.465 -4.423 4.666 169 HD2 PHE 666 2HD PHE 666 0.517 -2.910 1.994 170 HE1 PHE 666 1HE PHE 666 4.517 -2.202 4.769 171 HE2 PHE 666 2HE PHE 666 1.565 -0.687 2.092 172 HZ PHE 666 HZ PHE 666 3.568 -0.330 3.480 173 H LYS 667 H LYS 667 -1.405 -5.671 2.685 174 HA LYS 667 HA LYS 667 -2.755 -3.275 2.856 175 1HB LYS 667 1HB LYS 667 -3.025 -5.143 1.138 176 2HB LYS 667 2HB LYS 667 -4.137 -5.891 2.276 177 1HG LYS 667 1HG LYS 667 -5.652 -4.070 2.124 178 2HG LYS 667 2HG LYS 667 -4.484 -3.094 1.230 179 1HD LYS 667 1HD LYS 667 -5.276 -5.724 0.089 180 2HD LYS 667 2HD LYS 667 -6.442 -4.401 0.011 181 1HE LYS 667 1HE LYS 667 -5.195 -4.331 -2.005 182 2HE LYS 667 2HE LYS 667 -4.616 -2.999 -1.006 183 1HZ LYS 667 1HZ LYS 667 -2.904 -4.470 -2.175 184 2HZ LYS 667 2HZ LYS 667 -3.251 -5.615 -0.980 185 3HZ LYS 667 3HZ LYS 667 -2.643 -4.098 -0.545 186 H ASP 668 H ASP 668 -3.204 -6.197 4.770 187 HA ASP 668 HA ASP 668 -5.592 -5.528 6.053 188 1HB ASP 668 1HB ASP 668 -4.934 -7.726 6.406 189 2HB ASP 668 2HB ASP 668 -3.267 -7.278 6.760 190 H MET 669 H MET 669 -2.242 -4.982 7.143 191 HA MET 669 HA MET 669 -2.977 -3.526 9.458 192 1HB MET 669 1HB MET 669 -0.562 -2.772 9.400 193 2HB MET 669 2HB MET 669 -0.818 -4.512 9.432 194 1HG MET 669 1HG MET 669 -0.373 -4.669 7.073 195 2HG MET 669 2HG MET 669 -0.254 -2.915 6.947 196 1HE MET 669 1HE MET 669 1.734 -2.521 5.990 197 2HE MET 669 2HE MET 669 2.264 -1.619 7.409 198 3HE MET 669 3HE MET 669 3.351 -2.780 6.646 199 H LEU 670 H LEU 670 -2.254 -2.598 6.147 200 HA LEU 670 HA LEU 670 -1.901 0.127 6.415 201 1HB LEU 670 1HB LEU 670 -3.112 -1.558 4.259 202 2HB LEU 670 2HB LEU 670 -3.076 0.198 4.109 203 HG LEU 670 HG LEU 670 -0.699 -1.647 4.321 204 1HD1 LEU 670 1HD1 LEU 670 -0.384 -0.240 2.047 205 2HD1 LEU 670 2HD1 LEU 670 -2.142 -0.356 2.103 206 3HD1 LEU 670 3HD1 LEU 670 -1.162 -1.821 2.125 207 1HD2 LEU 670 1HD2 LEU 670 0.257 0.145 5.292 208 2HD2 LEU 670 2HD2 LEU 670 -0.991 1.254 4.724 209 3HD2 LEU 670 3HD2 LEU 670 0.312 0.764 3.641 210 H LEU 671 H LEU 671 -4.974 -1.599 5.889 211 HA LEU 671 HA LEU 671 -6.529 0.786 6.278 212 1HB LEU 671 1HB LEU 671 -7.192 -1.110 4.796 213 2HB LEU 671 2HB LEU 671 -7.460 -2.080 6.243 214 HG LEU 671 HG LEU 671 -9.120 -0.196 6.896 215 1HD1 LEU 671 1HD1 LEU 671 -8.292 1.226 4.943 216 2HD1 LEU 671 2HD1 LEU 671 -10.034 1.104 5.183 217 3HD1 LEU 671 3HD1 LEU 671 -9.250 0.156 3.920 218 1HD2 LEU 671 1HD2 LEU 671 -9.813 -2.022 4.601 219 2HD2 LEU 671 2HD2 LEU 671 -10.907 -1.376 5.824 220 3HD2 LEU 671 3HD2 LEU 671 -9.668 -2.547 6.278 221 H GLU 672 H GLU 672 -5.823 -2.128 8.165 222 HA GLU 672 HA GLU 672 -7.509 -1.683 10.325 223 1HB GLU 672 1HB GLU 672 -4.917 -3.121 9.971 224 2HB GLU 672 2HB GLU 672 -5.526 -2.879 11.603 225 1HG GLU 672 1HG GLU 672 -7.721 -3.876 10.682 226 2HG GLU 672 2HG GLU 672 -6.708 -4.467 9.366 227 H ARG 673 H ARG 673 -4.011 -0.974 10.307 228 HA ARG 673 HA ARG 673 -3.831 0.471 12.613 229 1HB ARG 673 1HB ARG 673 -2.378 0.775 9.995 230 2HB ARG 673 2HB ARG 673 -1.986 1.783 11.382 231 1HG ARG 673 1HG ARG 673 -2.037 -1.188 11.669 232 2HG ARG 673 2HG ARG 673 -0.643 -0.389 10.940 233 1HD ARG 673 1HD ARG 673 0.011 -0.389 13.128 234 2HD ARG 673 2HD ARG 673 -0.849 1.150 13.072 235 HE ARG 673 HE ARG 673 -2.315 0.293 14.585 236 1HH1 ARG 673 2HH1 ARG 673 -0.828 -2.354 12.883 237 2HH1 ARG 673 1HH1 ARG 673 -1.619 -3.575 13.824 238 1HH2 ARG 673 2HH2 ARG 673 -3.362 -1.304 15.832 239 2HH2 ARG 673 1HH2 ARG 673 -3.061 -2.977 15.501 240 H GLY 674 H GLY 674 -5.312 1.442 9.632 241 1HA GLY 674 1HA GLY 674 -6.892 3.179 9.454 242 2HA GLY 674 2HA GLY 674 -6.245 3.888 10.926 243 H VAL 675 H VAL 675 -4.417 2.893 8.073 244 HA VAL 675 HA VAL 675 -2.899 5.248 7.969 245 HB VAL 675 HB VAL 675 -3.418 3.125 5.895 246 1HG1 VAL 675 1HG1 VAL 675 -2.611 4.477 4.327 247 2HG1 VAL 675 2HG1 VAL 675 -2.310 5.750 5.512 248 3HG1 VAL 675 3HG1 VAL 675 -1.086 4.516 5.212 249 1HG2 VAL 675 1HG2 VAL 675 -2.131 2.270 7.675 250 2HG2 VAL 675 2HG2 VAL 675 -0.974 2.656 6.402 251 3HG2 VAL 675 3HG2 VAL 675 -1.159 3.737 7.783 252 H SER 676 H SER 676 -3.647 7.217 7.558 253 HA SER 676 HA SER 676 -6.073 7.716 6.160 254 1HB SER 676 1HB SER 676 -3.879 9.691 6.828 255 2HB SER 676 2HB SER 676 -5.566 10.064 6.473 256 HG SER 676 HG SER 676 -6.129 8.904 8.370 257 H ALA 677 H ALA 677 -6.430 7.976 4.056 258 HA ALA 677 HA ALA 677 -4.380 7.557 2.144 259 1HB ALA 677 1HB ALA 677 -6.832 6.984 1.901 260 2HB ALA 677 2HB ALA 677 -7.101 8.692 1.556 261 3HB ALA 677 3HB ALA 677 -6.065 7.733 0.500 262 H PHE 678 H PHE 678 -6.349 10.435 2.893 263 HA PHE 678 HA PHE 678 -5.209 12.214 1.122 264 1HB PHE 678 1HB PHE 678 -6.340 12.643 3.885 265 2HB PHE 678 2HB PHE 678 -5.815 13.979 2.865 266 HD1 PHE 678 1HD PHE 678 -7.128 14.723 1.032 267 HD2 PHE 678 2HD PHE 678 -8.242 11.233 3.199 268 HE1 PHE 678 1HE PHE 678 -9.324 14.740 -0.077 269 HE2 PHE 678 2HE PHE 678 -10.440 11.244 2.093 270 HZ PHE 678 HZ PHE 678 -10.983 12.998 0.452 271 H SER 679 H SER 679 -3.970 11.046 4.175 272 HA SER 679 HA SER 679 -1.963 12.964 4.598 273 1HB SER 679 1HB SER 679 -2.416 10.152 5.510 274 2HB SER 679 2HB SER 679 -0.841 10.891 5.795 275 HG SER 679 HG SER 679 -2.036 12.654 6.791 276 H THR 680 H THR 680 0.456 12.005 4.705 277 HA THR 680 HA THR 680 1.100 11.350 1.917 278 HB THR 680 HB THR 680 3.234 12.333 2.236 279 HG1 THR 680 1HG THR 680 2.679 11.867 4.924 280 1HG2 THR 680 1HG2 THR 680 1.905 14.308 3.931 281 2HG2 THR 680 2HG2 THR 680 0.923 13.783 2.563 282 3HG2 THR 680 3HG2 THR 680 2.527 14.462 2.289 283 H TRP 681 H TRP 681 3.134 10.032 1.622 284 HA TRP 681 HA TRP 681 2.798 7.513 2.868 285 1HB TRP 681 1HB TRP 681 3.648 7.432 0.682 286 2HB TRP 681 2HB TRP 681 4.864 8.663 1.011 287 HD1 TRP 681 HD TRP 681 7.227 7.820 1.597 288 HE1 TRP 681 1HE TRP 681 8.270 5.523 2.106 289 HE3 TRP 681 3HE TRP 681 2.952 5.030 1.864 290 HZ2 TRP 681 2HZ TRP 681 7.396 2.878 2.560 291 HZ3 TRP 681 3HZ TRP 681 3.142 2.623 2.340 292 HH2 TRP 681 HH TRP 681 5.319 1.571 2.679 293 H GLU 682 H GLU 682 4.719 10.285 3.623 294 HA GLU 682 HA GLU 682 6.736 9.054 5.156 295 1HB GLU 682 1HB GLU 682 5.561 11.822 5.134 296 2HB GLU 682 2HB GLU 682 6.802 11.369 6.295 297 1HG GLU 682 1HG GLU 682 8.301 10.781 4.447 298 2HG GLU 682 2HG GLU 682 7.061 11.278 3.297 299 H LYS 683 H LYS 683 3.886 10.851 6.332 300 HA LYS 683 HA LYS 683 4.057 10.196 8.997 301 1HB LYS 683 1HB LYS 683 1.788 10.883 7.186 302 2HB LYS 683 2HB LYS 683 1.413 10.301 8.802 303 1HG LYS 683 1HG LYS 683 1.449 12.686 8.845 304 2HG LYS 683 2HG LYS 683 2.862 12.095 9.723 305 1HD LYS 683 1HD LYS 683 4.321 12.661 7.966 306 2HD LYS 683 2HD LYS 683 2.994 12.852 6.817 307 1HE LYS 683 1HE LYS 683 3.146 14.592 9.245 308 2HE LYS 683 2HE LYS 683 4.141 14.955 7.836 309 1HZ LYS 683 1HZ LYS 683 1.508 14.439 6.996 310 2HZ LYS 683 2HZ LYS 683 2.395 15.873 6.862 311 3HZ LYS 683 3HZ LYS 683 1.459 15.584 8.241 312 H GLU 684 H GLU 684 2.024 8.499 6.601 313 HA GLU 684 HA GLU 684 1.232 6.403 8.252 314 1HB GLU 684 1HB GLU 684 1.705 6.189 5.277 315 2HB GLU 684 2HB GLU 684 0.597 5.232 6.250 316 1HG GLU 684 1HG GLU 684 0.369 8.182 5.698 317 2HG GLU 684 2HG GLU 684 -0.587 6.905 4.947 318 H LEU 685 H LEU 685 4.034 6.647 6.094 319 HA LEU 685 HA LEU 685 5.046 4.105 6.236 320 1HB LEU 685 1HB LEU 685 6.215 5.510 4.835 321 2HB LEU 685 2HB LEU 685 6.313 6.796 6.036 322 HG LEU 685 HG LEU 685 7.932 5.228 7.279 323 1HD1 LEU 685 1HD1 LEU 685 8.725 3.374 6.293 324 2HD1 LEU 685 2HD1 LEU 685 8.695 4.089 4.682 325 3HD1 LEU 685 3HD1 LEU 685 7.215 3.434 5.383 326 1HD2 LEU 685 1HD2 LEU 685 9.532 6.569 6.492 327 2HD2 LEU 685 2HD2 LEU 685 8.282 7.265 5.460 328 3HD2 LEU 685 3HD2 LEU 685 9.328 5.986 4.840 329 H HIS 686 H HIS 686 5.686 6.756 8.525 330 HA HIS 686 HA HIS 686 7.289 5.223 10.276 331 1HB HIS 686 1HB HIS 686 7.313 7.086 11.665 332 2HB HIS 686 2HB HIS 686 6.994 7.807 10.090 333 HD1 HIS 686 1HD HIS 686 5.309 9.588 10.292 334 HD2 HIS 686 2HD HIS 686 4.539 6.453 12.906 335 HE1 HIS 686 1HE HIS 686 3.202 10.228 11.507 336 H LYS 687 H LYS 687 3.835 5.772 10.050 337 HA LYS 687 HA LYS 687 3.123 4.737 12.582 338 1HB LYS 687 1HB LYS 687 1.611 5.067 9.998 339 2HB LYS 687 2HB LYS 687 0.863 4.369 11.428 340 1HG LYS 687 1HG LYS 687 1.368 6.433 12.670 341 2HG LYS 687 2HG LYS 687 2.041 7.131 11.195 342 1HD LYS 687 1HD LYS 687 -0.277 6.515 10.175 343 2HD LYS 687 2HD LYS 687 -0.800 6.474 11.860 344 1HE LYS 687 1HE LYS 687 -0.444 8.730 12.164 345 2HE LYS 687 2HE LYS 687 0.752 8.822 10.873 346 1HZ LYS 687 1HZ LYS 687 -1.378 8.178 9.458 347 2HZ LYS 687 2HZ LYS 687 -0.976 9.783 9.810 348 3HZ LYS 687 3HZ LYS 687 -2.153 8.986 10.727 349 H ILE 688 H ILE 688 4.054 3.240 9.619 350 HA ILE 688 HA ILE 688 3.313 0.608 10.720 351 HB ILE 688 HB ILE 688 3.361 -0.224 8.371 352 1HG1 ILE 688 1HG1 ILE 688 3.130 2.608 7.433 353 2HG1 ILE 688 2HG1 ILE 688 4.731 1.924 7.690 354 1HG2 ILE 688 1HG2 ILE 688 1.192 0.012 8.964 355 2HG2 ILE 688 2HG2 ILE 688 1.395 1.692 9.456 356 3HG2 ILE 688 3HG2 ILE 688 1.238 1.287 7.747 357 1HD1 ILE 688 1HD1 ILE 688 4.557 1.245 5.576 358 2HD1 ILE 688 2HD1 ILE 688 3.511 -0.021 6.221 359 3HD1 ILE 688 3HD1 ILE 688 2.806 1.451 5.554 360 H VAL 689 H VAL 689 5.848 2.587 10.414 361 HA VAL 689 HA VAL 689 7.845 0.955 9.235 362 HB VAL 689 HB VAL 689 7.985 3.456 9.649 363 1HG1 VAL 689 1HG1 VAL 689 7.427 2.915 12.197 364 2HG1 VAL 689 2HG1 VAL 689 9.189 2.891 12.296 365 3HG1 VAL 689 3HG1 VAL 689 8.357 4.333 11.711 366 1HG2 VAL 689 1HG2 VAL 689 10.499 2.568 10.756 367 2HG2 VAL 689 2HG2 VAL 689 9.954 1.493 9.469 368 3HG2 VAL 689 3HG2 VAL 689 10.144 3.218 9.156 369 H PHE 690 H PHE 690 6.553 1.241 12.479 370 HA PHE 690 HA PHE 690 8.605 -0.443 13.630 371 1HB PHE 690 1HB PHE 690 7.281 -0.219 15.712 372 2HB PHE 690 2HB PHE 690 7.673 1.340 14.995 373 HD1 PHE 690 1HD PHE 690 4.985 -1.134 15.494 374 HD2 PHE 690 2HD PHE 690 5.978 2.821 14.275 375 HE1 PHE 690 1HE PHE 690 2.600 -0.533 15.512 376 HE2 PHE 690 2HE PHE 690 3.594 3.429 14.292 377 HZ PHE 690 HZ PHE 690 1.901 1.751 14.911 378 H ASP 691 H ASP 691 6.216 -1.138 11.613 379 HA ASP 691 HA ASP 691 5.168 -3.476 13.008 380 1HB ASP 691 1HB ASP 691 3.541 -2.199 11.771 381 2HB ASP 691 2HB ASP 691 4.527 -2.267 10.313 382 HA PRO 692 HA PRO 692 8.067 -6.268 11.227 383 1HB PRO 692 1HB PRO 692 6.624 -8.559 11.424 384 2HB PRO 692 2HB PRO 692 7.368 -7.769 12.819 385 1HG PRO 692 1HG PRO 692 4.532 -7.658 11.869 386 2HG PRO 692 2HG PRO 692 5.152 -7.829 13.521 387 1HD PRO 692 1HD PRO 692 4.266 -5.468 12.535 388 2HD PRO 692 2HD PRO 692 5.574 -5.573 13.731 389 H ARG 693 H ARG 693 4.695 -6.730 10.149 390 HA ARG 693 HA ARG 693 5.188 -8.084 7.790 391 1HB ARG 693 1HB ARG 693 3.010 -6.143 8.544 392 2HB ARG 693 2HB ARG 693 3.022 -6.981 6.998 393 1HG ARG 693 1HG ARG 693 2.679 -9.060 7.979 394 2HG ARG 693 2HG ARG 693 3.209 -8.502 9.567 395 1HD ARG 693 1HD ARG 693 0.719 -7.524 8.181 396 2HD ARG 693 2HD ARG 693 0.741 -8.847 9.346 397 HE ARG 693 HE ARG 693 1.967 -6.675 10.560 398 1HH1 ARG 693 2HH1 ARG 693 -1.166 -7.500 9.286 399 2HH1 ARG 693 1HH1 ARG 693 -2.027 -6.467 10.378 400 1HH2 ARG 693 2HH2 ARG 693 0.845 -5.311 12.004 401 2HH2 ARG 693 1HH2 ARG 693 -0.882 -5.221 11.923 402 H TYR 694 H TYR 694 5.700 -4.748 8.549 403 HA TYR 694 HA TYR 694 5.712 -3.692 5.930 404 1HB TYR 694 1HB TYR 694 5.575 -2.089 7.630 405 2HB TYR 694 2HB TYR 694 6.897 -2.806 8.545 406 HD1 TYR 694 1HD TYR 694 9.179 -2.230 8.083 407 HD2 TYR 694 2HD TYR 694 6.044 -0.707 5.643 408 HE1 TYR 694 1HE TYR 694 10.749 -0.626 7.078 409 HE2 TYR 694 2HE TYR 694 7.606 0.901 4.630 410 HH TYR 694 HH TYR 694 9.738 2.002 5.197 411 H LEU 695 H LEU 695 7.693 -5.972 7.276 412 HA LEU 695 HA LEU 695 9.929 -5.255 5.494 413 1HB LEU 695 1HB LEU 695 10.040 -6.927 8.000 414 2HB LEU 695 2HB LEU 695 11.405 -6.483 6.977 415 HG LEU 695 HG LEU 695 9.741 -4.458 8.460 416 1HD1 LEU 695 1HD1 LEU 695 12.357 -5.665 9.342 417 2HD1 LEU 695 2HD1 LEU 695 10.784 -6.078 10.022 418 3HD1 LEU 695 3HD1 LEU 695 11.410 -4.438 10.184 419 1HD2 LEU 695 1HD2 LEU 695 11.013 -2.957 7.437 420 2HD2 LEU 695 2HD2 LEU 695 11.715 -4.254 6.470 421 3HD2 LEU 695 3HD2 LEU 695 12.480 -3.770 7.984 422 H LEU 696 H LEU 696 7.341 -7.042 5.401 423 HA LEU 696 HA LEU 696 8.568 -9.579 4.640 424 1HB LEU 696 1HB LEU 696 5.695 -8.712 4.892 425 2HB LEU 696 2HB LEU 696 6.193 -10.307 4.333 426 HG LEU 696 HG LEU 696 6.847 -9.188 7.055 427 1HD1 LEU 696 1HD1 LEU 696 4.391 -9.526 6.610 428 2HD1 LEU 696 2HD1 LEU 696 5.063 -10.461 7.946 429 3HD1 LEU 696 3HD1 LEU 696 4.750 -11.240 6.395 430 1HD2 LEU 696 1HD2 LEU 696 7.143 -11.724 7.446 431 2HD2 LEU 696 2HD2 LEU 696 8.421 -10.835 6.617 432 3HD2 LEU 696 3HD2 LEU 696 7.284 -11.816 5.690 433 H LEU 697 H LEU 697 6.976 -6.798 3.242 434 HA LEU 697 HA LEU 697 7.111 -8.023 0.579 435 1HB LEU 697 1HB LEU 697 5.588 -5.704 1.710 436 2HB LEU 697 2HB LEU 697 5.814 -5.877 -0.029 437 HG LEU 697 HG LEU 697 4.485 -7.940 1.725 438 1HD1 LEU 697 1HD1 LEU 697 2.824 -6.508 -0.188 439 2HD1 LEU 697 2HD1 LEU 697 3.465 -5.471 1.087 440 3HD1 LEU 697 3HD1 LEU 697 2.524 -6.904 1.504 441 1HD2 LEU 697 1HD2 LEU 697 5.481 -8.840 -0.311 442 2HD2 LEU 697 2HD2 LEU 697 4.632 -7.630 -1.273 443 3HD2 LEU 697 3HD2 LEU 697 3.720 -8.866 -0.405 444 H ASN 698 H ASN 698 8.317 -7.156 -1.060 445 HA ASN 698 HA ASN 698 10.705 -5.923 -0.551 446 1HB ASN 698 1HB ASN 698 9.017 -6.233 -2.977 447 2HB ASN 698 2HB ASN 698 10.324 -5.056 -3.063 448 1HD2 ASN 698 1HD2 ASN 698 10.726 -6.860 -4.781 449 2HD2 ASN 698 2HD2 ASN 698 11.833 -8.089 -4.281 450 HA PRO 699 HA PRO 699 10.088 -1.632 0.122 451 1HB PRO 699 1HB PRO 699 12.100 -0.500 -1.307 452 2HB PRO 699 2HB PRO 699 12.373 -1.401 0.189 453 1HG PRO 699 1HG PRO 699 12.679 -2.303 -2.648 454 2HG PRO 699 2HG PRO 699 13.743 -2.596 -1.260 455 1HD PRO 699 1HD PRO 699 11.990 -4.449 -2.169 456 2HD PRO 699 2HD PRO 699 12.428 -4.309 -0.454 457 H LYS 700 H LYS 700 10.483 -2.568 -3.263 458 HA LYS 700 HA LYS 700 9.394 -0.158 -4.333 459 1HB LYS 700 1HB LYS 700 10.163 -2.828 -5.409 460 2HB LYS 700 2HB LYS 700 9.069 -1.843 -6.372 461 1HG LYS 700 1HG LYS 700 11.703 -0.827 -5.342 462 2HG LYS 700 2HG LYS 700 11.517 -1.625 -6.906 463 1HD LYS 700 1HD LYS 700 10.050 0.081 -7.689 464 2HD LYS 700 2HD LYS 700 9.920 0.793 -6.079 465 1HE LYS 700 1HE LYS 700 11.401 2.152 -7.373 466 2HE LYS 700 2HE LYS 700 12.363 1.283 -6.177 467 1HZ LYS 700 1HZ LYS 700 13.120 -0.220 -7.825 468 2HZ LYS 700 2HZ LYS 700 13.319 1.334 -8.463 469 3HZ LYS 700 3HZ LYS 700 12.030 0.367 -8.978 470 H GLU 701 H GLU 701 8.087 -3.397 -3.716 471 HA GLU 701 HA GLU 701 5.530 -2.954 -4.791 472 1HB GLU 701 1HB GLU 701 6.487 -4.837 -2.635 473 2HB GLU 701 2HB GLU 701 4.848 -4.854 -3.268 474 1HG GLU 701 1HG GLU 701 6.605 -6.492 -4.220 475 2HG GLU 701 2HG GLU 701 5.498 -5.668 -5.317 476 H ARG 702 H ARG 702 6.702 -2.690 -1.441 477 HA ARG 702 HA ARG 702 4.442 -2.065 -0.082 478 1HB ARG 702 1HB ARG 702 7.234 -0.990 0.152 479 2HB ARG 702 2HB ARG 702 5.964 -0.398 1.215 480 1HG ARG 702 1HG ARG 702 5.598 -2.594 2.101 481 2HG ARG 702 2HG ARG 702 6.709 -3.299 0.925 482 1HD ARG 702 1HD ARG 702 7.723 -1.142 2.701 483 2HD ARG 702 2HD ARG 702 7.461 -2.739 3.401 484 HE ARG 702 HE ARG 702 8.948 -2.885 0.978 485 1HH1 ARG 702 2HH1 ARG 702 9.205 -2.134 4.368 486 2HH1 ARG 702 1HH1 ARG 702 10.889 -2.533 4.462 487 1HH2 ARG 702 2HH2 ARG 702 11.164 -3.414 1.089 488 2HH2 ARG 702 1HH2 ARG 702 12.002 -3.260 2.596 489 H LYS 703 H LYS 703 6.348 0.178 -2.059 490 HA LYS 703 HA LYS 703 4.720 2.445 -1.533 491 1HB LYS 703 1HB LYS 703 7.087 2.510 -2.368 492 2HB LYS 703 2HB LYS 703 6.492 1.974 -3.934 493 1HG LYS 703 1HG LYS 703 6.661 4.265 -4.190 494 2HG LYS 703 2HG LYS 703 4.952 4.034 -3.811 495 1HD LYS 703 1HD LYS 703 5.511 5.787 -2.415 496 2HD LYS 703 2HD LYS 703 5.736 4.397 -1.350 497 1HE LYS 703 1HE LYS 703 8.031 4.554 -1.410 498 2HE LYS 703 2HE LYS 703 8.041 5.369 -2.973 499 1HZ LYS 703 1HZ LYS 703 6.737 6.887 -0.917 500 2HZ LYS 703 2HZ LYS 703 7.943 7.357 -2.005 501 3HZ LYS 703 3HZ LYS 703 8.362 6.573 -0.566 502 H GLN 704 H GLN 704 4.868 0.144 -4.234 503 HA GLN 704 HA GLN 704 2.931 1.304 -5.862 504 1HB GLN 704 1HB GLN 704 4.047 -1.434 -5.543 505 2HB GLN 704 2HB GLN 704 2.557 -1.271 -6.462 506 1HG GLN 704 1HG GLN 704 5.045 0.311 -7.044 507 2HG GLN 704 2HG GLN 704 4.665 -1.232 -7.808 508 1HE2 GLN 704 1HE2 GLN 704 3.686 -1.103 -9.687 509 2HE2 GLN 704 2HE2 GLN 704 2.711 0.209 -10.244 510 H VAL 705 H VAL 705 2.506 -1.331 -3.496 511 HA VAL 705 HA VAL 705 -0.269 -1.550 -3.723 512 HB VAL 705 HB VAL 705 1.460 -2.091 -1.305 513 1HG1 VAL 705 1HG1 VAL 705 -0.309 -3.308 -0.367 514 2HG1 VAL 705 2HG1 VAL 705 -1.057 -1.819 -0.947 515 3HG1 VAL 705 3HG1 VAL 705 -1.224 -3.310 -1.874 516 1HG2 VAL 705 1HG2 VAL 705 0.610 -3.782 -3.641 517 2HG2 VAL 705 2HG2 VAL 705 2.244 -3.444 -3.070 518 3HG2 VAL 705 3HG2 VAL 705 1.175 -4.480 -2.124 519 H PHE 706 H PHE 706 1.719 0.570 -1.733 520 HA PHE 706 HA PHE 706 -0.383 1.595 -0.138 521 1HB PHE 706 1HB PHE 706 1.865 1.857 0.639 522 2HB PHE 706 2HB PHE 706 2.343 2.687 -0.838 523 HD1 PHE 706 1HD PHE 706 2.174 5.011 -1.020 524 HD2 PHE 706 2HD PHE 706 0.230 2.997 2.187 525 HE1 PHE 706 1HE PHE 706 1.679 7.177 0.036 526 HE2 PHE 706 2HE PHE 706 -0.270 5.160 3.247 527 HZ PHE 706 HZ PHE 706 0.454 7.254 2.171 528 H ASP 707 H ASP 707 0.936 2.493 -3.259 529 HA ASP 707 HA ASP 707 -0.310 5.013 -3.496 530 1HB ASP 707 1HB ASP 707 1.506 4.447 -4.969 531 2HB ASP 707 2HB ASP 707 0.633 3.049 -5.591 532 H GLN 708 H GLN 708 -1.252 1.842 -4.828 533 HA GLN 708 HA GLN 708 -3.671 2.642 -5.959 534 1HB GLN 708 1HB GLN 708 -4.069 0.416 -6.346 535 2HB GLN 708 2HB GLN 708 -2.337 0.367 -6.048 536 1HG GLN 708 1HG GLN 708 -2.686 -0.380 -3.797 537 2HG GLN 708 2HG GLN 708 -4.429 -0.175 -3.957 538 1HE2 GLN 708 1HE2 GLN 708 -2.065 -2.402 -3.896 539 2HE2 GLN 708 2HE2 GLN 708 -2.798 -3.654 -4.833 540 H TYR 709 H TYR 709 -2.989 1.373 -2.717 541 HA TYR 709 HA TYR 709 -5.602 1.230 -1.771 542 1HB TYR 709 1HB TYR 709 -3.897 0.235 -0.458 543 2HB TYR 709 2HB TYR 709 -2.982 1.736 -0.367 544 HD1 TYR 709 1HD TYR 709 -5.323 -0.356 1.282 545 HD2 TYR 709 2HD TYR 709 -4.120 3.705 0.881 546 HE1 TYR 709 1HE TYR 709 -6.415 0.172 3.422 547 HE2 TYR 709 2HE TYR 709 -5.208 4.244 3.021 548 HH TYR 709 HH TYR 709 -6.888 3.410 4.493 549 H VAL 710 H VAL 710 -3.274 3.908 -1.437 550 HA VAL 710 HA VAL 710 -4.985 5.690 -0.124 551 HB VAL 710 HB VAL 710 -2.670 6.290 -1.970 552 1HG1 VAL 710 1HG1 VAL 710 -4.359 8.161 -1.559 553 2HG1 VAL 710 2HG1 VAL 710 -3.790 8.142 0.112 554 3HG1 VAL 710 3HG1 VAL 710 -2.667 8.504 -1.199 555 1HG2 VAL 710 1HG2 VAL 710 -2.789 5.179 0.636 556 2HG2 VAL 710 2HG2 VAL 710 -1.364 5.632 -0.299 557 3HG2 VAL 710 3HG2 VAL 710 -2.127 6.808 0.772 558 H LYS 711 H LYS 711 -4.453 5.099 -3.562 559 HA LYS 711 HA LYS 711 -5.819 7.244 -4.656 560 1HB LYS 711 1HB LYS 711 -4.499 5.433 -5.861 561 2HB LYS 711 2HB LYS 711 -5.947 4.440 -5.762 562 1HG LYS 711 1HG LYS 711 -7.184 6.022 -7.086 563 2HG LYS 711 2HG LYS 711 -5.820 7.142 -7.085 564 1HD LYS 711 1HD LYS 711 -4.490 5.278 -8.194 565 2HD LYS 711 2HD LYS 711 -6.038 4.466 -8.442 566 1HE LYS 711 1HE LYS 711 -6.783 6.689 -9.511 567 2HE LYS 711 2HE LYS 711 -5.061 7.060 -9.589 568 1HZ LYS 711 1HZ LYS 711 -6.312 4.637 -10.763 569 2HZ LYS 711 2HZ LYS 711 -4.698 5.117 -10.923 570 3HZ LYS 711 3HZ LYS 711 -5.927 6.035 -11.635 571 H THR 712 H THR 712 -7.128 4.051 -3.777 572 HA THR 712 HA THR 712 -9.816 4.729 -4.406 573 HB THR 712 HB THR 712 -10.364 2.673 -3.015 574 HG1 THR 712 1HG THR 712 -8.432 1.373 -2.578 575 1HG2 THR 712 1HG2 THR 712 -9.945 1.314 -4.802 576 2HG2 THR 712 2HG2 THR 712 -8.286 1.884 -4.986 577 3HG2 THR 712 3HG2 THR 712 -9.627 2.872 -5.565 578 H ARG 713 H ARG 713 -8.433 3.961 -1.207 579 HA ARG 713 HA ARG 713 -10.436 4.799 0.410 580 1HB ARG 713 1HB ARG 713 -7.459 4.934 0.723 581 2HB ARG 713 2HB ARG 713 -8.499 5.599 1.976 582 1HG ARG 713 1HG ARG 713 -8.110 3.452 2.724 583 2HG ARG 713 2HG ARG 713 -9.664 3.294 1.903 584 1HD ARG 713 1HD ARG 713 -8.548 2.433 -0.079 585 2HD ARG 713 2HD ARG 713 -6.978 2.646 0.694 586 HE ARG 713 HE ARG 713 -8.453 1.021 2.370 587 1HH1 ARG 713 2HH1 ARG 713 -7.272 0.915 -0.904 588 2HH1 ARG 713 1HH1 ARG 713 -7.129 -0.812 -0.935 589 1HH2 ARG 713 2HH2 ARG 713 -8.270 -1.253 2.341 590 2HH2 ARG 713 1HH2 ARG 713 -7.698 -2.044 0.911 591 H ALA 714 H ALA 714 -8.443 6.794 -1.576 592 HA ALA 714 HA ALA 714 -9.217 9.245 -0.209 593 1HB ALA 714 1HB ALA 714 -7.817 10.352 -1.934 594 2HB ALA 714 2HB ALA 714 -6.949 9.138 -0.993 595 3HB ALA 714 3HB ALA 714 -7.488 8.765 -2.631 596 H GLU 715 H GLU 715 -9.505 7.902 -3.503 597 HA GLU 715 HA GLU 715 -11.187 9.856 -4.547 598 1HB GLU 715 1HB GLU 715 -11.440 8.480 -6.374 599 2HB GLU 715 2HB GLU 715 -9.985 7.799 -5.659 600 1HG GLU 715 1HG GLU 715 -11.203 5.912 -6.097 601 2HG GLU 715 2HG GLU 715 -11.652 6.232 -4.423 602 H GLU 716 H GLU 716 -11.889 7.140 -2.478 603 HA GLU 716 HA GLU 716 -14.759 7.408 -2.827 604 1HB GLU 716 1HB GLU 716 -12.941 5.502 -1.458 605 2HB GLU 716 2HB GLU 716 -14.548 5.694 -0.772 606 1HG GLU 716 1HG GLU 716 -14.148 5.139 -3.687 607 2HG GLU 716 2HG GLU 716 -14.186 3.844 -2.492 608 H GLU 717 H GLU 717 -13.006 9.556 -1.632 609 HA GLU 717 HA GLU 717 -13.232 9.888 1.064 610 1HB GLU 717 1HB GLU 717 -12.113 11.531 -0.300 611 2HB GLU 717 2HB GLU 717 -13.617 11.953 -1.106 612 1HG GLU 717 1HG GLU 717 -13.000 13.642 0.515 613 2HG GLU 717 2HG GLU 717 -14.499 12.842 0.984 614 H ARG 718 H ARG 718 -14.891 9.683 2.400 615 HA ARG 718 HA ARG 718 -17.479 9.245 1.954 616 1HB ARG 718 1HB ARG 718 -16.119 9.685 4.194 617 2HB ARG 718 2HB ARG 718 -16.948 11.233 4.109 618 1HG ARG 718 1HG ARG 718 -19.072 9.761 3.775 619 2HG ARG 718 2HG ARG 718 -18.072 8.501 4.501 620 1HD ARG 718 1HD ARG 718 -17.765 9.777 6.485 621 2HD ARG 718 2HD ARG 718 -18.472 11.212 5.745 622 HE ARG 718 HE ARG 718 -20.340 9.091 5.753 623 1HH1 ARG 718 2HH1 ARG 718 -18.805 11.391 7.868 624 2HH1 ARG 718 1HH1 ARG 718 -20.120 11.430 8.994 625 1HH2 ARG 718 2HH2 ARG 718 -22.079 9.134 7.229 626 2HH2 ARG 718 1HH2 ARG 718 -21.982 10.145 8.630 627 H ARG 719 H ARG 719 -19.083 10.201 0.903 628 HA ARG 719 HA ARG 719 -18.822 12.900 -0.046 629 1HB ARG 719 1HB ARG 719 -19.832 11.091 -1.410 630 2HB ARG 719 2HB ARG 719 -21.168 11.008 -0.269 631 1HG ARG 719 1HG ARG 719 -21.653 13.405 -0.796 632 2HG ARG 719 2HG ARG 719 -20.446 13.297 -2.079 633 1HD ARG 719 1HD ARG 719 -22.401 12.849 -3.222 634 2HD ARG 719 2HD ARG 719 -21.822 11.229 -2.839 635 HE ARG 719 HE ARG 719 -23.423 11.729 -0.761 636 1HH1 ARG 719 2HH1 ARG 719 -23.898 12.158 -4.183 637 2HH1 ARG 719 1HH1 ARG 719 -25.609 11.898 -4.110 638 1HH2 ARG 719 2HH2 ARG 719 -25.676 11.386 -0.652 639 2HH2 ARG 719 1HH2 ARG 719 -26.620 11.460 -2.101 640 H SER 720 H SER 720 -20.328 14.608 0.326 641 HA SER 720 HA SER 720 -21.089 14.833 3.080 642 1HB SER 720 1HB SER 720 -20.234 16.688 1.463 643 2HB SER 720 2HB SER 720 -21.920 16.790 0.956 644 HG SER 720 HG SER 720 -22.414 17.712 2.788 645 H GLY 721 H GLY 721 -22.959 15.113 0.048 646 1HA GLY 721 1HA GLY 721 -25.496 15.235 1.086 647 2HA GLY 721 2HA GLY 721 -25.111 14.459 -0.443 648 HA PRO 722 HA PRO 722 -26.530 11.415 2.967 649 1HB PRO 722 1HB PRO 722 -29.146 11.166 2.284 650 2HB PRO 722 2HB PRO 722 -28.571 12.344 3.470 651 1HG PRO 722 1HG PRO 722 -29.249 12.741 0.582 652 2HG PRO 722 2HG PRO 722 -29.643 13.765 1.974 653 1HD PRO 722 1HD PRO 722 -27.601 14.324 0.286 654 2HD PRO 722 2HD PRO 722 -27.552 14.734 2.013 655 H SER 723 H SER 723 -26.045 9.398 2.396 656 HA SER 723 HA SER 723 -26.401 8.577 -0.387 657 1HB SER 723 1HB SER 723 -24.209 8.324 1.012 658 2HB SER 723 2HB SER 723 -25.015 6.911 1.691 659 HG SER 723 HG SER 723 -23.746 7.115 -0.628 660 H SER 724 H SER 724 -27.109 7.416 2.895 661 HA SER 724 HA SER 724 -29.053 5.532 1.745 662 1HB SER 724 1HB SER 724 -28.839 4.214 3.725 663 2HB SER 724 2HB SER 724 -27.201 4.649 3.238 664 HG SER 724 HG SER 724 -28.756 5.704 5.347 665 H GLY 725 H GLY 725 -31.083 5.227 2.932 666 1HA GLY 725 1HA GLY 725 -32.445 6.248 4.807 667 2HA GLY 725 2HA GLY 725 -32.005 7.786 4.080 Start of MODEL 19 1 1H GLY 644 H GLY 644 -12.996 -14.598 10.497 2 1HA GLY 644 1HA GLY 644 -10.870 -14.130 11.333 3 2HA GLY 644 2HA GLY 644 -11.634 -14.776 12.778 4 H SER 645 H SER 645 -8.836 -14.873 12.055 5 HA SER 645 HA SER 645 -8.273 -17.584 11.244 6 1HB SER 645 1HB SER 645 -6.658 -15.174 11.932 7 2HB SER 645 2HB SER 645 -5.884 -16.751 12.087 8 HG SER 645 HG SER 645 -6.914 -15.490 9.793 9 H SER 646 H SER 646 -6.661 -18.852 12.644 10 HA SER 646 HA SER 646 -7.764 -18.961 15.364 11 1HB SER 646 1HB SER 646 -6.338 -21.057 13.712 12 2HB SER 646 2HB SER 646 -6.837 -21.288 15.387 13 HG SER 646 HG SER 646 -8.996 -20.906 14.698 14 H GLY 647 H GLY 647 -4.703 -19.057 13.576 15 1HA GLY 647 1HA GLY 647 -2.790 -17.842 14.370 16 2HA GLY 647 2HA GLY 647 -3.362 -18.091 16.012 17 H SER 648 H SER 648 -0.950 -18.691 16.063 18 HA SER 648 HA SER 648 -0.794 -21.538 16.287 19 1HB SER 648 1HB SER 648 1.094 -21.858 14.727 20 2HB SER 648 2HB SER 648 -0.367 -21.346 13.883 21 HG SER 648 HG SER 648 1.747 -20.251 13.400 22 H SER 649 H SER 649 1.578 -22.168 16.855 23 HA SER 649 HA SER 649 2.923 -20.001 18.298 24 1HB SER 649 1HB SER 649 3.187 -21.517 20.280 25 2HB SER 649 2HB SER 649 1.524 -21.008 19.986 26 HG SER 649 HG SER 649 1.592 -23.134 18.658 27 H GLY 650 H GLY 650 5.018 -19.996 17.839 28 1HA GLY 650 1HA GLY 650 7.105 -20.692 17.184 29 2HA GLY 650 2HA GLY 650 6.702 -22.235 17.922 30 H ALA 651 H ALA 651 5.687 -20.407 15.029 31 HA ALA 651 HA ALA 651 5.827 -22.917 13.506 32 1HB ALA 651 1HB ALA 651 4.234 -22.063 12.031 33 2HB ALA 651 2HB ALA 651 3.689 -21.504 13.614 34 3HB ALA 651 3HB ALA 651 4.529 -20.396 12.529 35 H ARG 652 H ARG 652 7.385 -23.207 12.052 36 HA ARG 652 HA ARG 652 9.445 -21.304 11.678 37 1HB ARG 652 1HB ARG 652 8.778 -23.951 10.438 38 2HB ARG 652 2HB ARG 652 10.061 -22.961 9.756 39 1HG ARG 652 1HG ARG 652 11.289 -24.220 11.188 40 2HG ARG 652 2HG ARG 652 10.857 -22.901 12.278 41 1HD ARG 652 1HD ARG 652 8.755 -24.446 12.722 42 2HD ARG 652 2HD ARG 652 9.869 -25.704 12.189 43 HE ARG 652 HE ARG 652 9.898 -24.352 14.690 44 1HH1 ARG 652 2HH1 ARG 652 11.963 -25.780 12.278 45 2HH1 ARG 652 1HH1 ARG 652 13.237 -26.141 13.395 46 1HH2 ARG 652 2HH2 ARG 652 11.568 -24.823 16.171 47 2HH2 ARG 652 1HH2 ARG 652 13.011 -25.597 15.609 48 H GLU 653 H GLU 653 10.052 -20.161 9.804 49 HA GLU 653 HA GLU 653 7.805 -19.582 7.993 50 1HB GLU 653 1HB GLU 653 8.800 -17.374 7.665 51 2HB GLU 653 2HB GLU 653 8.488 -17.674 9.368 52 1HG GLU 653 1HG GLU 653 11.179 -18.116 8.115 53 2HG GLU 653 2HG GLU 653 10.682 -16.567 8.794 54 H ARG 654 H ARG 654 9.474 -21.789 7.509 55 HA ARG 654 HA ARG 654 11.557 -21.148 5.676 56 1HB ARG 654 1HB ARG 654 10.064 -23.699 6.273 57 2HB ARG 654 2HB ARG 654 11.343 -23.610 5.070 58 1HG ARG 654 1HG ARG 654 12.826 -22.715 6.920 59 2HG ARG 654 2HG ARG 654 11.552 -23.209 8.036 60 1HD ARG 654 1HD ARG 654 12.672 -25.130 6.028 61 2HD ARG 654 2HD ARG 654 13.497 -24.840 7.559 62 HE ARG 654 HE ARG 654 10.743 -25.436 7.952 63 1HH1 ARG 654 2HH1 ARG 654 13.836 -26.879 7.263 64 2HH1 ARG 654 1HH1 ARG 654 13.418 -28.415 7.947 65 1HH2 ARG 654 2HH2 ARG 654 10.181 -27.454 8.855 66 2HH2 ARG 654 1HH2 ARG 654 11.338 -28.741 8.851 67 H ALA 655 H ALA 655 8.272 -22.452 5.223 68 HA ALA 655 HA ALA 655 8.131 -22.713 2.528 69 1HB ALA 655 1HB ALA 655 6.236 -22.262 4.649 70 2HB ALA 655 2HB ALA 655 5.718 -21.461 3.165 71 3HB ALA 655 3HB ALA 655 6.056 -23.192 3.160 72 H ILE 656 H ILE 656 7.360 -21.357 0.799 73 HA ILE 656 HA ILE 656 8.387 -18.628 1.034 74 HB ILE 656 HB ILE 656 7.655 -20.252 -1.405 75 1HG1 ILE 656 1HG1 ILE 656 10.237 -19.804 -1.733 76 2HG1 ILE 656 2HG1 ILE 656 10.210 -19.617 0.017 77 1HG2 ILE 656 1HG2 ILE 656 8.842 -17.485 -1.223 78 2HG2 ILE 656 2HG2 ILE 656 8.629 -18.417 -2.704 79 3HG2 ILE 656 3HG2 ILE 656 7.220 -17.888 -1.786 80 1HD1 ILE 656 1HD1 ILE 656 9.625 -22.040 -1.628 81 2HD1 ILE 656 2HD1 ILE 656 10.749 -21.844 -0.282 82 3HD1 ILE 656 3HD1 ILE 656 9.012 -21.893 0.019 83 H VAL 657 H VAL 657 6.735 -17.498 1.999 84 HA VAL 657 HA VAL 657 4.019 -17.700 1.553 85 HB VAL 657 HB VAL 657 5.571 -15.174 2.141 86 1HG1 VAL 657 1HG1 VAL 657 3.408 -14.452 3.184 87 2HG1 VAL 657 2HG1 VAL 657 3.380 -14.568 1.423 88 3HG1 VAL 657 3HG1 VAL 657 2.644 -15.837 2.404 89 1HG2 VAL 657 1HG2 VAL 657 6.079 -16.766 3.822 90 2HG2 VAL 657 2HG2 VAL 657 4.854 -15.697 4.504 91 3HG2 VAL 657 3HG2 VAL 657 4.401 -17.299 3.924 92 HA PRO 658 HA PRO 658 3.604 -16.387 -2.665 93 1HB PRO 658 1HB PRO 658 0.891 -16.287 -2.695 94 2HB PRO 658 2HB PRO 658 1.798 -17.803 -2.757 95 1HG PRO 658 1HG PRO 658 0.475 -16.481 -0.419 96 2HG PRO 658 2HG PRO 658 0.482 -18.193 -0.880 97 1HD PRO 658 1HD PRO 658 2.092 -17.199 1.057 98 2HD PRO 658 2HD PRO 658 2.574 -18.556 0.019 99 H LEU 659 H LEU 659 2.868 -14.553 -3.852 100 HA LEU 659 HA LEU 659 3.212 -12.093 -2.604 101 1HB LEU 659 1HB LEU 659 3.424 -12.562 -5.041 102 2HB LEU 659 2HB LEU 659 1.664 -12.603 -5.139 103 HG LEU 659 HG LEU 659 1.683 -10.216 -4.316 104 1HD1 LEU 659 1HD1 LEU 659 4.622 -10.497 -4.923 105 2HD1 LEU 659 2HD1 LEU 659 3.898 -10.153 -3.353 106 3HD1 LEU 659 3HD1 LEU 659 3.781 -8.970 -4.655 107 1HD2 LEU 659 1HD2 LEU 659 2.121 -9.311 -6.499 108 2HD2 LEU 659 2HD2 LEU 659 1.356 -10.890 -6.681 109 3HD2 LEU 659 3HD2 LEU 659 3.094 -10.716 -6.933 110 H GLU 660 H GLU 660 0.199 -13.718 -3.559 111 HA GLU 660 HA GLU 660 -1.595 -11.734 -2.793 112 1HB GLU 660 1HB GLU 660 -3.263 -13.539 -2.620 113 2HB GLU 660 2HB GLU 660 -2.291 -13.676 -4.078 114 1HG GLU 660 1HG GLU 660 -1.160 -15.539 -3.311 115 2HG GLU 660 2HG GLU 660 -1.528 -15.192 -1.623 116 H ALA 661 H ALA 661 0.027 -14.194 -0.878 117 HA ALA 661 HA ALA 661 -1.481 -13.820 1.496 118 1HB ALA 661 1HB ALA 661 1.169 -15.076 0.889 119 2HB ALA 661 2HB ALA 661 0.612 -14.892 2.552 120 3HB ALA 661 3HB ALA 661 -0.335 -15.840 1.405 121 H ARG 662 H ARG 662 1.959 -13.012 1.028 122 HA ARG 662 HA ARG 662 2.284 -11.335 3.161 123 1HB ARG 662 1HB ARG 662 4.042 -10.171 1.718 124 2HB ARG 662 2HB ARG 662 4.217 -11.906 1.946 125 1HG ARG 662 1HG ARG 662 2.814 -11.964 -0.301 126 2HG ARG 662 2HG ARG 662 3.543 -10.368 -0.493 127 1HD ARG 662 1HD ARG 662 5.236 -12.710 0.272 128 2HD ARG 662 2HD ARG 662 4.768 -12.474 -1.411 129 HE ARG 662 HE ARG 662 5.773 -10.055 -0.583 130 1HH1 ARG 662 2HH1 ARG 662 6.945 -13.327 -0.791 131 2HH1 ARG 662 1HH1 ARG 662 8.594 -12.858 -1.046 132 1HH2 ARG 662 2HH2 ARG 662 7.940 -9.426 -0.918 133 2HH2 ARG 662 1HH2 ARG 662 9.158 -10.639 -1.117 134 H MET 663 H MET 663 1.240 -10.395 -0.108 135 HA MET 663 HA MET 663 0.994 -7.661 0.307 136 1HB MET 663 1HB MET 663 -0.409 -9.587 -1.517 137 2HB MET 663 2HB MET 663 -0.882 -7.894 -1.481 138 1HG MET 663 1HG MET 663 1.567 -7.365 -1.905 139 2HG MET 663 2HG MET 663 1.754 -9.076 -2.282 140 1HE MET 663 1HE MET 663 0.508 -5.632 -4.521 141 2HE MET 663 2HE MET 663 1.824 -6.047 -3.422 142 3HE MET 663 3HE MET 663 1.931 -6.478 -5.130 143 H LYS 664 H LYS 664 -1.460 -10.199 0.740 144 HA LYS 664 HA LYS 664 -3.622 -8.669 1.473 145 1HB LYS 664 1HB LYS 664 -2.709 -11.418 2.183 146 2HB LYS 664 2HB LYS 664 -4.060 -10.737 3.080 147 1HG LYS 664 1HG LYS 664 -4.112 -10.637 0.105 148 2HG LYS 664 2HG LYS 664 -4.456 -12.163 0.924 149 1HD LYS 664 1HD LYS 664 -5.838 -9.685 1.844 150 2HD LYS 664 2HD LYS 664 -6.384 -10.465 0.358 151 1HE LYS 664 1HE LYS 664 -6.017 -11.989 2.922 152 2HE LYS 664 2HE LYS 664 -7.522 -11.153 2.539 153 1HZ LYS 664 1HZ LYS 664 -6.585 -13.657 1.601 154 2HZ LYS 664 2HZ LYS 664 -6.876 -12.622 0.295 155 3HZ LYS 664 3HZ LYS 664 -8.109 -12.948 1.407 156 H GLN 665 H GLN 665 -1.052 -9.903 3.598 157 HA GLN 665 HA GLN 665 -2.017 -8.906 6.010 158 1HB GLN 665 1HB GLN 665 0.810 -9.369 5.063 159 2HB GLN 665 2HB GLN 665 0.411 -8.927 6.718 160 1HG GLN 665 1HG GLN 665 -1.088 -10.969 6.750 161 2HG GLN 665 2HG GLN 665 -0.301 -11.440 5.244 162 1HE2 GLN 665 1HE2 GLN 665 -0.330 -12.475 8.110 163 2HE2 GLN 665 2HE2 GLN 665 1.341 -12.720 8.472 164 H PHE 666 H PHE 666 0.526 -7.432 3.983 165 HA PHE 666 HA PHE 666 0.896 -5.075 5.277 166 1HB PHE 666 1HB PHE 666 1.956 -5.934 3.087 167 2HB PHE 666 2HB PHE 666 0.629 -5.105 2.280 168 HD1 PHE 666 1HD PHE 666 3.611 -4.654 4.386 169 HD2 PHE 666 2HD PHE 666 0.591 -2.739 2.077 170 HE1 PHE 666 1HE PHE 666 4.877 -2.546 4.484 171 HE2 PHE 666 2HE PHE 666 1.853 -0.629 2.172 172 HZ PHE 666 HZ PHE 666 3.999 -0.530 3.375 173 H LYS 667 H LYS 667 -1.442 -5.457 2.608 174 HA LYS 667 HA LYS 667 -2.670 -2.997 2.782 175 1HB LYS 667 1HB LYS 667 -3.026 -4.898 1.083 176 2HB LYS 667 2HB LYS 667 -4.227 -5.509 2.213 177 1HG LYS 667 1HG LYS 667 -5.541 -3.526 1.996 178 2HG LYS 667 2HG LYS 667 -4.281 -2.736 1.046 179 1HD LYS 667 1HD LYS 667 -4.568 -4.480 -0.694 180 2HD LYS 667 2HD LYS 667 -5.906 -5.149 0.243 181 1HE LYS 667 1HE LYS 667 -7.286 -3.358 -0.199 182 2HE LYS 667 2HE LYS 667 -5.939 -2.257 -0.485 183 1HZ LYS 667 1HZ LYS 667 -5.676 -2.986 -2.624 184 2HZ LYS 667 2HZ LYS 667 -7.352 -3.142 -2.461 185 3HZ LYS 667 3HZ LYS 667 -6.359 -4.505 -2.327 186 H ASP 668 H ASP 668 -3.544 -5.981 4.503 187 HA ASP 668 HA ASP 668 -5.794 -5.134 5.840 188 1HB ASP 668 1HB ASP 668 -3.663 -7.126 6.409 189 2HB ASP 668 2HB ASP 668 -4.718 -6.681 7.748 190 H MET 669 H MET 669 -2.407 -4.593 6.700 191 HA MET 669 HA MET 669 -2.892 -3.376 9.201 192 1HB MET 669 1HB MET 669 -0.536 -2.541 7.584 193 2HB MET 669 2HB MET 669 -0.631 -2.982 9.283 194 1HG MET 669 1HG MET 669 -1.042 -5.359 8.472 195 2HG MET 669 2HG MET 669 -0.517 -4.783 6.892 196 1HE MET 669 1HE MET 669 2.495 -2.825 8.169 197 2HE MET 669 2HE MET 669 2.872 -3.991 6.901 198 3HE MET 669 3HE MET 669 1.354 -3.093 6.850 199 H LEU 670 H LEU 670 -1.872 -1.815 6.156 200 HA LEU 670 HA LEU 670 -2.102 0.795 6.768 201 1HB LEU 670 1HB LEU 670 -3.211 -0.433 4.248 202 2HB LEU 670 2HB LEU 670 -2.710 1.244 4.458 203 HG LEU 670 HG LEU 670 -0.846 -1.121 4.635 204 1HD1 LEU 670 1HD1 LEU 670 -0.212 -0.774 2.428 205 2HD1 LEU 670 2HD1 LEU 670 -0.969 0.817 2.356 206 3HD1 LEU 670 3HD1 LEU 670 -1.969 -0.635 2.370 207 1HD2 LEU 670 1HD2 LEU 670 0.478 1.269 3.977 208 2HD2 LEU 670 2HD2 LEU 670 0.584 0.350 5.480 209 3HD2 LEU 670 3HD2 LEU 670 -0.599 1.649 5.321 210 H LEU 671 H LEU 671 -4.801 -1.377 6.081 211 HA LEU 671 HA LEU 671 -6.785 0.684 6.289 212 1HB LEU 671 1HB LEU 671 -6.984 -1.463 4.970 213 2HB LEU 671 2HB LEU 671 -7.218 -2.286 6.511 214 HG LEU 671 HG LEU 671 -9.226 -0.828 6.880 215 1HD1 LEU 671 1HD1 LEU 671 -10.185 0.129 4.732 216 2HD1 LEU 671 2HD1 LEU 671 -8.556 -0.006 4.070 217 3HD1 LEU 671 3HD1 LEU 671 -8.854 1.017 5.475 218 1HD2 LEU 671 1HD2 LEU 671 -10.655 -2.209 5.630 219 2HD2 LEU 671 2HD2 LEU 671 -9.218 -3.189 5.924 220 3HD2 LEU 671 3HD2 LEU 671 -9.462 -2.431 4.350 221 H GLU 672 H GLU 672 -5.667 -1.954 8.387 222 HA GLU 672 HA GLU 672 -7.462 -1.440 10.504 223 1HB GLU 672 1HB GLU 672 -4.950 -2.997 10.168 224 2HB GLU 672 2HB GLU 672 -5.445 -2.608 11.810 225 1HG GLU 672 1HG GLU 672 -7.652 -3.633 11.330 226 2HG GLU 672 2HG GLU 672 -7.032 -4.128 9.756 227 H ARG 673 H ARG 673 -3.958 -0.769 10.370 228 HA ARG 673 HA ARG 673 -3.689 0.736 12.630 229 1HB ARG 673 1HB ARG 673 -2.339 1.088 9.953 230 2HB ARG 673 2HB ARG 673 -1.841 1.947 11.404 231 1HG ARG 673 1HG ARG 673 -1.956 -1.051 11.221 232 2HG ARG 673 2HG ARG 673 -0.514 -0.105 10.849 233 1HD ARG 673 1HD ARG 673 -0.255 0.597 13.050 234 2HD ARG 673 2HD ARG 673 -1.935 0.250 13.459 235 HE ARG 673 HE ARG 673 -0.341 -2.059 12.764 236 1HH1 ARG 673 2HH1 ARG 673 -1.491 0.024 15.306 237 2HH1 ARG 673 1HH1 ARG 673 -1.261 -1.156 16.554 238 1HH2 ARG 673 2HH2 ARG 673 -0.034 -3.620 14.398 239 2HH2 ARG 673 1HH2 ARG 673 -0.431 -3.227 16.037 240 H GLY 674 H GLY 674 -5.386 1.581 9.758 241 1HA GLY 674 1HA GLY 674 -6.895 3.339 9.505 242 2HA GLY 674 2HA GLY 674 -6.279 4.049 10.990 243 H VAL 675 H VAL 675 -4.511 3.108 8.064 244 HA VAL 675 HA VAL 675 -3.040 5.541 8.025 245 HB VAL 675 HB VAL 675 -3.298 3.287 6.045 246 1HG1 VAL 675 1HG1 VAL 675 -2.240 5.977 5.633 247 2HG1 VAL 675 2HG1 VAL 675 -1.084 4.697 5.259 248 3HG1 VAL 675 3HG1 VAL 675 -2.656 4.729 4.459 249 1HG2 VAL 675 1HG2 VAL 675 -1.251 4.162 8.050 250 2HG2 VAL 675 2HG2 VAL 675 -2.003 2.580 7.846 251 3HG2 VAL 675 3HG2 VAL 675 -0.802 3.143 6.683 252 H SER 676 H SER 676 -4.212 7.364 7.726 253 HA SER 676 HA SER 676 -6.475 7.676 6.141 254 1HB SER 676 1HB SER 676 -4.401 9.793 6.759 255 2HB SER 676 2HB SER 676 -6.079 10.075 6.297 256 HG SER 676 HG SER 676 -6.743 9.191 8.229 257 H ALA 677 H ALA 677 -6.843 8.269 4.043 258 HA ALA 677 HA ALA 677 -4.768 7.660 2.151 259 1HB ALA 677 1HB ALA 677 -7.017 6.947 1.675 260 2HB ALA 677 2HB ALA 677 -7.603 8.609 1.760 261 3HB ALA 677 3HB ALA 677 -6.517 8.122 0.458 262 H PHE 678 H PHE 678 -6.434 10.561 3.262 263 HA PHE 678 HA PHE 678 -5.116 12.260 1.340 264 1HB PHE 678 1HB PHE 678 -6.847 12.887 3.738 265 2HB PHE 678 2HB PHE 678 -6.210 14.105 2.637 266 HD1 PHE 678 1HD PHE 678 -6.643 13.320 0.033 267 HD2 PHE 678 2HD PHE 678 -9.055 12.404 3.418 268 HE1 PHE 678 1HE PHE 678 -8.587 13.003 -1.442 269 HE2 PHE 678 2HE PHE 678 -11.002 12.086 1.949 270 HZ PHE 678 HZ PHE 678 -10.770 12.384 -0.484 271 H SER 679 H SER 679 -3.206 10.855 2.709 272 HA SER 679 HA SER 679 -1.891 12.992 4.240 273 1HB SER 679 1HB SER 679 -2.418 10.185 5.078 274 2HB SER 679 2HB SER 679 -0.847 10.870 5.497 275 HG SER 679 HG SER 679 -2.096 11.473 7.155 276 H THR 680 H THR 680 0.531 12.077 4.660 277 HA THR 680 HA THR 680 1.568 11.596 1.962 278 HB THR 680 HB THR 680 2.488 13.558 3.023 279 HG1 THR 680 1HG THR 680 4.205 12.854 1.994 280 1HG2 THR 680 1HG2 THR 680 2.860 13.690 5.216 281 2HG2 THR 680 2HG2 THR 680 4.033 12.377 5.131 282 3HG2 THR 680 3HG2 THR 680 2.324 12.018 5.377 283 H TRP 681 H TRP 681 3.283 10.089 1.612 284 HA TRP 681 HA TRP 681 2.874 7.592 2.864 285 1HB TRP 681 1HB TRP 681 3.656 7.329 0.714 286 2HB TRP 681 2HB TRP 681 4.788 8.673 0.848 287 HD1 TRP 681 HD TRP 681 7.223 8.144 1.727 288 HE1 TRP 681 1HE TRP 681 8.506 5.948 2.122 289 HE3 TRP 681 3HE TRP 681 3.308 4.864 1.492 290 HZ2 TRP 681 2HZ TRP 681 7.934 3.190 2.309 291 HZ3 TRP 681 3HZ TRP 681 3.762 2.464 1.788 292 HH2 TRP 681 HH TRP 681 6.027 1.646 2.188 293 H GLU 682 H GLU 682 5.177 10.175 3.389 294 HA GLU 682 HA GLU 682 7.090 8.820 4.900 295 1HB GLU 682 1HB GLU 682 6.159 11.677 5.239 296 2HB GLU 682 2HB GLU 682 7.675 11.010 5.829 297 1HG GLU 682 1HG GLU 682 8.424 11.975 3.924 298 2HG GLU 682 2HG GLU 682 7.980 10.396 3.277 299 H LYS 683 H LYS 683 4.161 10.526 5.973 300 HA LYS 683 HA LYS 683 4.480 10.014 8.721 301 1HB LYS 683 1HB LYS 683 2.201 10.810 6.966 302 2HB LYS 683 2HB LYS 683 1.844 10.272 8.602 303 1HG LYS 683 1HG LYS 683 3.416 11.993 9.453 304 2HG LYS 683 2HG LYS 683 3.601 12.580 7.799 305 1HD LYS 683 1HD LYS 683 0.984 12.692 7.870 306 2HD LYS 683 2HD LYS 683 1.236 12.725 9.617 307 1HE LYS 683 1HE LYS 683 2.640 14.598 7.727 308 2HE LYS 683 2HE LYS 683 1.080 14.972 8.458 309 1HZ LYS 683 1HZ LYS 683 3.107 14.102 10.324 310 2HZ LYS 683 2HZ LYS 683 2.020 15.393 10.430 311 3HZ LYS 683 3HZ LYS 683 3.455 15.568 9.553 312 H GLU 684 H GLU 684 2.286 8.418 6.398 313 HA GLU 684 HA GLU 684 1.410 6.388 8.080 314 1HB GLU 684 1HB GLU 684 1.828 6.140 5.098 315 2HB GLU 684 2HB GLU 684 0.709 5.214 6.090 316 1HG GLU 684 1HG GLU 684 0.564 8.146 5.442 317 2HG GLU 684 2HG GLU 684 -0.516 6.871 4.882 318 H LEU 685 H LEU 685 4.296 6.579 6.074 319 HA LEU 685 HA LEU 685 5.136 3.930 6.197 320 1HB LEU 685 1HB LEU 685 6.306 5.299 4.725 321 2HB LEU 685 2HB LEU 685 6.580 6.539 5.948 322 HG LEU 685 HG LEU 685 8.085 4.744 7.068 323 1HD1 LEU 685 1HD1 LEU 685 8.149 3.756 4.224 324 2HD1 LEU 685 2HD1 LEU 685 7.319 2.929 5.542 325 3HD1 LEU 685 3HD1 LEU 685 9.070 3.139 5.597 326 1HD2 LEU 685 1HD2 LEU 685 8.563 6.893 5.456 327 2HD2 LEU 685 2HD2 LEU 685 9.423 5.605 4.612 328 3HD2 LEU 685 3HD2 LEU 685 9.801 5.960 6.298 329 H HIS 686 H HIS 686 6.350 6.597 8.236 330 HA HIS 686 HA HIS 686 7.787 5.084 10.040 331 1HB HIS 686 1HB HIS 686 7.846 6.972 11.424 332 2HB HIS 686 2HB HIS 686 7.585 7.651 9.820 333 HD1 HIS 686 1HD HIS 686 5.899 9.443 9.844 334 HD2 HIS 686 2HD HIS 686 5.097 6.549 12.715 335 HE1 HIS 686 1HE HIS 686 3.815 10.220 11.018 336 H LYS 687 H LYS 687 4.337 5.749 9.967 337 HA LYS 687 HA LYS 687 3.703 4.760 12.530 338 1HB LYS 687 1HB LYS 687 2.086 5.054 10.002 339 2HB LYS 687 2HB LYS 687 1.389 4.441 11.496 340 1HG LYS 687 1HG LYS 687 2.198 6.581 12.585 341 2HG LYS 687 2HG LYS 687 2.508 7.173 10.951 342 1HD LYS 687 1HD LYS 687 0.180 6.882 10.365 343 2HD LYS 687 2HD LYS 687 -0.157 6.158 11.939 344 1HE LYS 687 1HE LYS 687 1.065 8.867 11.871 345 2HE LYS 687 2HE LYS 687 -0.637 8.715 11.439 346 1HZ LYS 687 1HZ LYS 687 -0.239 7.213 13.742 347 2HZ LYS 687 2HZ LYS 687 -1.104 8.658 13.588 348 3HZ LYS 687 3HZ LYS 687 0.536 8.694 13.999 349 H ILE 688 H ILE 688 4.159 3.197 9.428 350 HA ILE 688 HA ILE 688 3.505 0.602 10.652 351 HB ILE 688 HB ILE 688 3.241 -0.288 8.421 352 1HG1 ILE 688 1HG1 ILE 688 3.726 2.464 7.295 353 2HG1 ILE 688 2HG1 ILE 688 5.027 1.289 7.459 354 1HG2 ILE 688 1HG2 ILE 688 1.709 2.209 8.098 355 2HG2 ILE 688 2HG2 ILE 688 1.161 0.534 8.124 356 3HG2 ILE 688 3HG2 ILE 688 1.508 1.371 9.637 357 1HD1 ILE 688 1HD1 ILE 688 3.488 -0.273 6.119 358 2HD1 ILE 688 2HD1 ILE 688 2.621 1.202 5.691 359 3HD1 ILE 688 3HD1 ILE 688 4.325 1.027 5.272 360 H VAL 689 H VAL 689 6.089 2.406 10.436 361 HA VAL 689 HA VAL 689 7.967 0.656 9.141 362 HB VAL 689 HB VAL 689 8.167 3.210 9.458 363 1HG1 VAL 689 1HG1 VAL 689 8.802 4.089 11.445 364 2HG1 VAL 689 2HG1 VAL 689 7.961 2.672 12.078 365 3HG1 VAL 689 3HG1 VAL 689 9.717 2.655 11.911 366 1HG2 VAL 689 1HG2 VAL 689 10.476 1.345 9.985 367 2HG2 VAL 689 2HG2 VAL 689 9.904 1.915 8.417 368 3HG2 VAL 689 3HG2 VAL 689 10.646 3.045 9.549 369 H PHE 690 H PHE 690 6.432 0.659 12.135 370 HA PHE 690 HA PHE 690 8.615 -0.636 13.559 371 1HB PHE 690 1HB PHE 690 7.331 -0.403 15.511 372 2HB PHE 690 2HB PHE 690 6.959 1.049 14.587 373 HD1 PHE 690 1HD PHE 690 5.634 -1.818 16.230 374 HD2 PHE 690 2HD PHE 690 4.828 1.045 13.186 375 HE1 PHE 690 1HE PHE 690 3.237 -2.353 16.366 376 HE2 PHE 690 2HE PHE 690 2.429 0.516 13.318 377 HZ PHE 690 HZ PHE 690 1.631 -1.185 14.910 378 H ASP 691 H ASP 691 5.407 -1.406 12.289 379 HA ASP 691 HA ASP 691 5.109 -3.983 13.253 380 1HB ASP 691 1HB ASP 691 3.413 -2.638 11.955 381 2HB ASP 691 2HB ASP 691 4.281 -3.086 10.489 382 HA PRO 692 HA PRO 692 8.311 -6.308 11.315 383 1HB PRO 692 1HB PRO 692 7.239 -8.786 11.605 384 2HB PRO 692 2HB PRO 692 7.942 -7.880 12.950 385 1HG PRO 692 1HG PRO 692 5.067 -8.198 12.179 386 2HG PRO 692 2HG PRO 692 5.807 -8.260 13.790 387 1HD PRO 692 1HD PRO 692 4.522 -6.065 12.860 388 2HD PRO 692 2HD PRO 692 5.903 -5.964 13.971 389 H ARG 693 H ARG 693 4.957 -7.094 10.418 390 HA ARG 693 HA ARG 693 5.434 -8.484 8.074 391 1HB ARG 693 1HB ARG 693 3.164 -6.626 8.792 392 2HB ARG 693 2HB ARG 693 3.169 -7.646 7.359 393 1HG ARG 693 1HG ARG 693 3.019 -9.607 8.603 394 2HG ARG 693 2HG ARG 693 3.560 -8.817 10.085 395 1HD ARG 693 1HD ARG 693 1.025 -7.942 8.768 396 2HD ARG 693 2HD ARG 693 1.040 -9.401 9.758 397 HE ARG 693 HE ARG 693 1.101 -6.710 10.683 398 1HH1 ARG 693 2HH1 ARG 693 2.236 -9.926 11.385 399 2HH1 ARG 693 1HH1 ARG 693 2.369 -9.647 13.090 400 1HH2 ARG 693 2HH2 ARG 693 1.272 -6.331 12.926 401 2HH2 ARG 693 1HH2 ARG 693 1.819 -7.603 13.966 402 H TYR 694 H TYR 694 5.908 -5.154 8.743 403 HA TYR 694 HA TYR 694 5.630 -4.067 6.163 404 1HB TYR 694 1HB TYR 694 5.732 -2.537 7.965 405 2HB TYR 694 2HB TYR 694 7.230 -3.229 8.576 406 HD1 TYR 694 1HD TYR 694 9.356 -2.568 7.684 407 HD2 TYR 694 2HD TYR 694 5.754 -1.086 5.972 408 HE1 TYR 694 1HE TYR 694 10.648 -0.887 6.437 409 HE2 TYR 694 2HE TYR 694 7.036 0.598 4.719 410 HH TYR 694 HH TYR 694 9.101 1.246 4.088 411 H LEU 695 H LEU 695 8.122 -5.970 7.625 412 HA LEU 695 HA LEU 695 10.103 -5.303 5.618 413 1HB LEU 695 1HB LEU 695 10.187 -7.469 7.709 414 2HB LEU 695 2HB LEU 695 11.547 -6.838 6.783 415 HG LEU 695 HG LEU 695 9.965 -5.195 8.753 416 1HD1 LEU 695 1HD1 LEU 695 12.691 -6.281 9.308 417 2HD1 LEU 695 2HD1 LEU 695 11.266 -7.266 9.637 418 3HD1 LEU 695 3HD1 LEU 695 11.461 -5.703 10.432 419 1HD2 LEU 695 1HD2 LEU 695 11.916 -3.717 8.638 420 2HD2 LEU 695 2HD2 LEU 695 11.148 -3.907 7.062 421 3HD2 LEU 695 3HD2 LEU 695 12.641 -4.773 7.426 422 H LEU 696 H LEU 696 7.587 -7.586 6.058 423 HA LEU 696 HA LEU 696 8.536 -9.770 4.594 424 1HB LEU 696 1HB LEU 696 5.731 -8.707 4.884 425 2HB LEU 696 2HB LEU 696 6.136 -10.276 4.191 426 HG LEU 696 HG LEU 696 6.808 -9.482 7.020 427 1HD1 LEU 696 1HD1 LEU 696 4.379 -9.453 6.680 428 2HD1 LEU 696 2HD1 LEU 696 4.885 -10.789 7.713 429 3HD1 LEU 696 3HD1 LEU 696 4.457 -11.090 6.029 430 1HD2 LEU 696 1HD2 LEU 696 6.750 -12.137 5.588 431 2HD2 LEU 696 2HD2 LEU 696 7.048 -11.915 7.312 432 3HD2 LEU 696 3HD2 LEU 696 8.185 -11.265 6.129 433 H LEU 697 H LEU 697 6.712 -6.918 3.512 434 HA LEU 697 HA LEU 697 6.934 -7.724 0.739 435 1HB LEU 697 1HB LEU 697 5.650 -5.443 2.186 436 2HB LEU 697 2HB LEU 697 5.885 -5.367 0.441 437 HG LEU 697 HG LEU 697 4.129 -7.227 2.016 438 1HD1 LEU 697 1HD1 LEU 697 3.740 -5.138 -0.093 439 2HD1 LEU 697 2HD1 LEU 697 2.948 -5.303 1.474 440 3HD1 LEU 697 3HD1 LEU 697 2.541 -6.407 0.160 441 1HD2 LEU 697 1HD2 LEU 697 4.947 -8.805 0.583 442 2HD2 LEU 697 2HD2 LEU 697 5.374 -7.624 -0.655 443 3HD2 LEU 697 3HD2 LEU 697 3.690 -8.104 -0.436 444 H ASN 698 H ASN 698 8.130 -6.691 -0.845 445 HA ASN 698 HA ASN 698 10.648 -5.703 -0.118 446 1HB ASN 698 1HB ASN 698 9.120 -5.996 -2.639 447 2HB ASN 698 2HB ASN 698 10.428 -4.817 -2.661 448 1HD2 ASN 698 1HD2 ASN 698 11.303 -6.312 -4.266 449 2HD2 ASN 698 2HD2 ASN 698 12.237 -7.659 -3.721 450 HA PRO 699 HA PRO 699 10.197 -1.381 0.479 451 1HB PRO 699 1HB PRO 699 12.301 -0.340 -0.885 452 2HB PRO 699 2HB PRO 699 12.486 -1.239 0.626 453 1HG PRO 699 1HG PRO 699 12.856 -2.176 -2.193 454 2HG PRO 699 2HG PRO 699 13.857 -2.499 -0.766 455 1HD PRO 699 1HD PRO 699 12.065 -4.288 -1.724 456 2HD PRO 699 2HD PRO 699 12.448 -4.152 0.004 457 H LYS 700 H LYS 700 10.669 -2.361 -2.883 458 HA LYS 700 HA LYS 700 9.717 0.082 -4.008 459 1HB LYS 700 1HB LYS 700 10.131 -2.679 -5.150 460 2HB LYS 700 2HB LYS 700 9.535 -1.334 -6.113 461 1HG LYS 700 1HG LYS 700 12.050 -0.957 -4.577 462 2HG LYS 700 2HG LYS 700 12.091 -1.952 -6.035 463 1HD LYS 700 1HD LYS 700 11.002 -0.054 -7.255 464 2HD LYS 700 2HD LYS 700 11.216 0.925 -5.802 465 1HE LYS 700 1HE LYS 700 13.106 1.491 -6.966 466 2HE LYS 700 2HE LYS 700 13.710 0.128 -6.025 467 1HZ LYS 700 1HZ LYS 700 12.560 -0.714 -8.495 468 2HZ LYS 700 2HZ LYS 700 14.100 -1.022 -7.867 469 3HZ LYS 700 3HZ LYS 700 13.813 0.395 -8.745 470 H GLU 701 H GLU 701 8.265 -3.121 -3.497 471 HA GLU 701 HA GLU 701 5.763 -2.549 -4.630 472 1HB GLU 701 1HB GLU 701 6.411 -4.478 -2.393 473 2HB GLU 701 2HB GLU 701 4.947 -4.490 -3.367 474 1HG GLU 701 1HG GLU 701 7.611 -4.708 -4.690 475 2HG GLU 701 2HG GLU 701 6.891 -6.118 -3.916 476 H ARG 702 H ARG 702 6.747 -2.536 -1.202 477 HA ARG 702 HA ARG 702 4.515 -1.824 0.095 478 1HB ARG 702 1HB ARG 702 7.323 -0.815 0.419 479 2HB ARG 702 2HB ARG 702 6.040 -0.217 1.463 480 1HG ARG 702 1HG ARG 702 5.599 -2.432 2.282 481 2HG ARG 702 2HG ARG 702 6.745 -3.124 1.132 482 1HD ARG 702 1HD ARG 702 7.728 -1.019 2.982 483 2HD ARG 702 2HD ARG 702 7.402 -2.617 3.652 484 HE ARG 702 HE ARG 702 9.022 -2.640 1.270 485 1HH1 ARG 702 2HH1 ARG 702 9.009 -2.417 4.744 486 2HH1 ARG 702 1HH1 ARG 702 10.642 -2.970 4.916 487 1HH2 ARG 702 2HH2 ARG 702 11.172 -3.369 1.483 488 2HH2 ARG 702 1HH2 ARG 702 11.872 -3.511 3.060 489 H LYS 703 H LYS 703 6.521 0.425 -1.776 490 HA LYS 703 HA LYS 703 4.903 2.705 -1.248 491 1HB LYS 703 1HB LYS 703 7.197 3.025 -1.891 492 2HB LYS 703 2HB LYS 703 6.957 2.133 -3.388 493 1HG LYS 703 1HG LYS 703 6.879 4.259 -4.187 494 2HG LYS 703 2HG LYS 703 5.169 4.019 -3.824 495 1HD LYS 703 1HD LYS 703 5.534 6.055 -2.827 496 2HD LYS 703 2HD LYS 703 5.860 4.968 -1.475 497 1HE LYS 703 1HE LYS 703 8.114 5.351 -1.534 498 2HE LYS 703 2HE LYS 703 8.121 5.698 -3.262 499 1HZ LYS 703 1HZ LYS 703 7.311 7.853 -2.893 500 2HZ LYS 703 2HZ LYS 703 8.516 7.638 -1.726 501 3HZ LYS 703 3HZ LYS 703 6.886 7.526 -1.288 502 H GLN 704 H GLN 704 5.138 0.464 -3.992 503 HA GLN 704 HA GLN 704 3.252 1.719 -5.641 504 1HB GLN 704 1HB GLN 704 4.441 -1.002 -5.468 505 2HB GLN 704 2HB GLN 704 2.977 -0.821 -6.425 506 1HG GLN 704 1HG GLN 704 5.489 0.790 -6.809 507 2HG GLN 704 2HG GLN 704 5.044 -0.632 -7.750 508 1HE2 GLN 704 1HE2 GLN 704 4.332 2.703 -7.076 509 2HE2 GLN 704 2HE2 GLN 704 3.324 2.977 -8.453 510 H VAL 705 H VAL 705 2.801 -1.160 -3.579 511 HA VAL 705 HA VAL 705 0.084 -1.482 -3.886 512 HB VAL 705 HB VAL 705 1.819 -1.999 -1.476 513 1HG1 VAL 705 1HG1 VAL 705 -0.268 -3.604 -1.029 514 2HG1 VAL 705 2HG1 VAL 705 -0.155 -1.977 -0.357 515 3HG1 VAL 705 3HG1 VAL 705 -1.109 -2.267 -1.813 516 1HG2 VAL 705 1HG2 VAL 705 0.836 -3.616 -3.792 517 2HG2 VAL 705 2HG2 VAL 705 2.468 -3.473 -3.140 518 3HG2 VAL 705 3HG2 VAL 705 1.250 -4.404 -2.269 519 H PHE 706 H PHE 706 1.723 0.417 -1.353 520 HA PHE 706 HA PHE 706 -0.484 1.368 -0.008 521 1HB PHE 706 1HB PHE 706 1.602 1.857 0.953 522 2HB PHE 706 2HB PHE 706 2.220 2.573 -0.532 523 HD1 PHE 706 1HD PHE 706 1.740 4.854 -1.108 524 HD2 PHE 706 2HD PHE 706 0.119 3.106 2.419 525 HE1 PHE 706 1HE PHE 706 1.120 7.090 -0.288 526 HE2 PHE 706 2HE PHE 706 -0.503 5.339 3.243 527 HZ PHE 706 HZ PHE 706 -0.004 7.335 1.889 528 H ASP 707 H ASP 707 1.197 2.992 -2.701 529 HA ASP 707 HA ASP 707 -0.358 5.209 -3.012 530 1HB ASP 707 1HB ASP 707 1.673 4.493 -4.379 531 2HB ASP 707 2HB ASP 707 0.550 3.573 -5.377 532 H GLN 708 H GLN 708 -0.988 2.028 -4.483 533 HA GLN 708 HA GLN 708 -3.388 2.720 -5.751 534 1HB GLN 708 1HB GLN 708 -2.347 0.074 -4.746 535 2HB GLN 708 2HB GLN 708 -3.848 0.226 -5.649 536 1HG GLN 708 1HG GLN 708 -1.264 1.281 -6.732 537 2HG GLN 708 2HG GLN 708 -1.725 -0.410 -6.921 538 1HE2 GLN 708 1HE2 GLN 708 -3.409 -0.949 -8.278 539 2HE2 GLN 708 2HE2 GLN 708 -4.097 0.169 -9.401 540 H TYR 709 H TYR 709 -2.776 1.356 -2.537 541 HA TYR 709 HA TYR 709 -5.414 0.936 -1.751 542 1HB TYR 709 1HB TYR 709 -3.807 0.019 -0.327 543 2HB TYR 709 2HB TYR 709 -2.882 1.515 -0.245 544 HD1 TYR 709 1HD TYR 709 -5.371 -0.506 1.334 545 HD2 TYR 709 2HD TYR 709 -3.916 3.480 1.023 546 HE1 TYR 709 1HE TYR 709 -6.490 0.061 3.450 547 HE2 TYR 709 2HE TYR 709 -5.030 4.058 3.138 548 HH TYR 709 HH TYR 709 -5.848 2.269 5.336 549 H VAL 710 H VAL 710 -3.408 3.843 -1.519 550 HA VAL 710 HA VAL 710 -5.280 5.411 -0.093 551 HB VAL 710 HB VAL 710 -3.053 6.294 -1.934 552 1HG1 VAL 710 1HG1 VAL 710 -4.229 7.965 0.251 553 2HG1 VAL 710 2HG1 VAL 710 -3.303 8.465 -1.165 554 3HG1 VAL 710 3HG1 VAL 710 -4.975 7.934 -1.347 555 1HG2 VAL 710 1HG2 VAL 710 -2.295 4.928 -0.046 556 2HG2 VAL 710 2HG2 VAL 710 -1.765 6.603 0.111 557 3HG2 VAL 710 3HG2 VAL 710 -3.123 6.014 1.070 558 H LYS 711 H LYS 711 -4.679 4.926 -3.537 559 HA LYS 711 HA LYS 711 -6.330 6.939 -4.550 560 1HB LYS 711 1HB LYS 711 -4.684 5.459 -5.813 561 2HB LYS 711 2HB LYS 711 -5.950 4.240 -5.840 562 1HG LYS 711 1HG LYS 711 -7.416 5.823 -7.025 563 2HG LYS 711 2HG LYS 711 -6.097 6.994 -7.048 564 1HD LYS 711 1HD LYS 711 -4.724 5.265 -8.254 565 2HD LYS 711 2HD LYS 711 -6.195 4.301 -8.398 566 1HE LYS 711 1HE LYS 711 -7.157 5.747 -9.893 567 2HE LYS 711 2HE LYS 711 -6.268 7.141 -9.283 568 1HZ LYS 711 1HZ LYS 711 -4.770 6.864 -10.868 569 2HZ LYS 711 2HZ LYS 711 -5.668 5.578 -11.502 570 3HZ LYS 711 3HZ LYS 711 -4.454 5.280 -10.363 571 H THR 712 H THR 712 -7.073 3.619 -3.590 572 HA THR 712 HA THR 712 -9.803 3.735 -4.426 573 HB THR 712 HB THR 712 -9.984 1.680 -2.859 574 HG1 THR 712 1HG THR 712 -8.015 0.798 -2.244 575 1HG2 THR 712 1HG2 THR 712 -9.623 0.444 -4.700 576 2HG2 THR 712 2HG2 THR 712 -7.953 0.990 -4.849 577 3HG2 THR 712 3HG2 THR 712 -9.265 1.979 -5.489 578 H ARG 713 H ARG 713 -8.123 4.138 -1.338 579 HA ARG 713 HA ARG 713 -10.445 4.388 0.256 580 1HB ARG 713 1HB ARG 713 -7.559 5.112 0.610 581 2HB ARG 713 2HB ARG 713 -8.746 5.669 1.782 582 1HG ARG 713 1HG ARG 713 -8.764 2.791 1.071 583 2HG ARG 713 2HG ARG 713 -7.437 3.389 2.070 584 1HD ARG 713 1HD ARG 713 -8.939 2.857 3.705 585 2HD ARG 713 2HD ARG 713 -9.415 4.527 3.396 586 HE ARG 713 HE ARG 713 -10.903 2.128 2.715 587 1HH1 ARG 713 2HH1 ARG 713 -10.547 5.573 2.359 588 2HH1 ARG 713 1HH1 ARG 713 -12.184 5.820 1.849 589 1HH2 ARG 713 2HH2 ARG 713 -13.061 2.441 2.045 590 2HH2 ARG 713 1HH2 ARG 713 -13.614 4.039 1.672 591 H ALA 714 H ALA 714 -8.716 6.601 -1.781 592 HA ALA 714 HA ALA 714 -9.957 8.959 -0.655 593 1HB ALA 714 1HB ALA 714 -7.893 8.394 -2.671 594 2HB ALA 714 2HB ALA 714 -8.879 9.824 -2.978 595 3HB ALA 714 3HB ALA 714 -7.985 9.677 -1.465 596 H GLU 715 H GLU 715 -10.094 7.256 -3.786 597 HA GLU 715 HA GLU 715 -12.056 8.778 -5.003 598 1HB GLU 715 1HB GLU 715 -12.207 7.108 -6.586 599 2HB GLU 715 2HB GLU 715 -10.643 6.748 -5.868 600 1HG GLU 715 1HG GLU 715 -11.701 5.046 -4.452 601 2HG GLU 715 2HG GLU 715 -13.249 5.389 -5.221 602 H GLU 716 H GLU 716 -12.419 6.037 -2.795 603 HA GLU 716 HA GLU 716 -15.100 5.532 -2.944 604 1HB GLU 716 1HB GLU 716 -13.237 4.552 -1.387 605 2HB GLU 716 2HB GLU 716 -13.825 5.750 -0.242 606 1HG GLU 716 1HG GLU 716 -14.997 3.823 0.304 607 2HG GLU 716 2HG GLU 716 -16.139 4.755 -0.664 608 H GLU 717 H GLU 717 -13.582 8.409 -1.843 609 HA GLU 717 HA GLU 717 -15.650 9.401 -0.180 610 1HB GLU 717 1HB GLU 717 -13.154 10.193 -0.557 611 2HB GLU 717 2HB GLU 717 -13.905 11.256 -1.738 612 1HG GLU 717 1HG GLU 717 -14.802 11.100 1.123 613 2HG GLU 717 2HG GLU 717 -13.560 12.216 0.559 614 H ARG 718 H ARG 718 -17.665 9.698 -0.869 615 HA ARG 718 HA ARG 718 -18.683 9.822 -3.364 616 1HB ARG 718 1HB ARG 718 -19.541 11.043 -0.787 617 2HB ARG 718 2HB ARG 718 -20.383 11.541 -2.248 618 1HG ARG 718 1HG ARG 718 -21.687 9.793 -1.546 619 2HG ARG 718 2HG ARG 718 -20.592 8.976 -2.664 620 1HD ARG 718 1HD ARG 718 -19.135 8.498 -0.633 621 2HD ARG 718 2HD ARG 718 -20.514 9.007 0.341 622 HE ARG 718 HE ARG 718 -20.188 6.509 -0.960 623 1HH1 ARG 718 2HH1 ARG 718 -22.581 8.896 -0.129 624 2HH1 ARG 718 1HH1 ARG 718 -23.890 7.761 -0.090 625 1HH2 ARG 718 2HH2 ARG 718 -21.902 5.004 -0.912 626 2HH2 ARG 718 1HH2 ARG 718 -23.502 5.547 -0.534 627 H ARG 719 H ARG 719 -18.977 11.291 -4.985 628 HA ARG 719 HA ARG 719 -17.348 13.716 -4.818 629 1HB ARG 719 1HB ARG 719 -16.876 12.274 -6.706 630 2HB ARG 719 2HB ARG 719 -18.570 12.281 -7.179 631 1HG ARG 719 1HG ARG 719 -17.679 13.796 -8.649 632 2HG ARG 719 2HG ARG 719 -18.221 14.858 -7.348 633 1HD ARG 719 1HD ARG 719 -15.978 14.944 -6.441 634 2HD ARG 719 2HD ARG 719 -15.417 13.790 -7.650 635 HE ARG 719 HE ARG 719 -16.380 15.781 -9.172 636 1HH1 ARG 719 2HH1 ARG 719 -14.222 15.763 -6.440 637 2HH1 ARG 719 1HH1 ARG 719 -13.343 17.163 -6.960 638 1HH2 ARG 719 2HH2 ARG 719 -15.231 17.624 -9.867 639 2HH2 ARG 719 1HH2 ARG 719 -13.918 18.221 -8.909 640 H SER 720 H SER 720 -18.203 15.696 -4.743 641 HA SER 720 HA SER 720 -21.107 15.946 -4.756 642 1HB SER 720 1HB SER 720 -20.693 18.200 -3.833 643 2HB SER 720 2HB SER 720 -19.883 16.951 -2.889 644 HG SER 720 HG SER 720 -18.744 18.743 -4.761 645 H GLY 721 H GLY 721 -22.216 17.532 -5.990 646 1HA GLY 721 1HA GLY 721 -20.760 18.331 -8.435 647 2HA GLY 721 2HA GLY 721 -22.447 17.839 -8.427 648 HA PRO 722 HA PRO 722 -21.726 22.527 -7.552 649 1HB PRO 722 1HB PRO 722 -21.622 23.539 -10.069 650 2HB PRO 722 2HB PRO 722 -20.179 23.068 -9.163 651 1HG PRO 722 1HG PRO 722 -21.663 21.558 -11.281 652 2HG PRO 722 2HG PRO 722 -19.914 21.751 -11.061 653 1HD PRO 722 1HD PRO 722 -21.241 19.519 -10.294 654 2HD PRO 722 2HD PRO 722 -19.812 20.123 -9.432 655 H SER 723 H SER 723 -23.708 20.508 -9.465 656 HA SER 723 HA SER 723 -25.700 22.426 -10.173 657 1HB SER 723 1HB SER 723 -25.611 19.417 -10.140 658 2HB SER 723 2HB SER 723 -27.103 20.281 -10.508 659 HG SER 723 HG SER 723 -24.728 20.941 -11.859 660 H SER 724 H SER 724 -26.941 23.438 -8.752 661 HA SER 724 HA SER 724 -27.235 23.028 -6.095 662 1HB SER 724 1HB SER 724 -28.175 24.986 -7.163 663 2HB SER 724 2HB SER 724 -29.355 23.999 -8.025 664 HG SER 724 HG SER 724 -30.263 23.457 -5.996 665 H GLY 725 H GLY 725 -29.052 22.198 -4.795 666 1HA GLY 725 1HA GLY 725 -31.098 20.604 -5.325 667 2HA GLY 725 2HA GLY 725 -29.770 19.524 -5.722 Start of MODEL 20 1 1H GLY 644 H GLY 644 -17.573 -7.614 0.946 2 1HA GLY 644 1HA GLY 644 -14.999 -7.144 1.751 3 2HA GLY 644 2HA GLY 644 -15.889 -7.347 3.253 4 H SER 645 H SER 645 -13.802 -8.973 1.716 5 HA SER 645 HA SER 645 -15.286 -11.520 1.705 6 1HB SER 645 1HB SER 645 -14.323 -10.852 -0.500 7 2HB SER 645 2HB SER 645 -12.718 -10.895 0.229 8 HG SER 645 HG SER 645 -13.545 -13.169 0.854 9 H SER 646 H SER 646 -14.620 -13.131 3.007 10 HA SER 646 HA SER 646 -11.987 -13.365 4.046 11 1HB SER 646 1HB SER 646 -12.532 -11.545 5.494 12 2HB SER 646 2HB SER 646 -14.118 -12.224 5.860 13 HG SER 646 HG SER 646 -11.670 -13.495 6.518 14 H GLY 647 H GLY 647 -11.790 -15.501 4.008 15 1HA GLY 647 1HA GLY 647 -13.024 -17.282 5.685 16 2HA GLY 647 2HA GLY 647 -14.046 -17.254 4.255 17 H SER 648 H SER 648 -11.685 -18.949 5.680 18 HA SER 648 HA SER 648 -10.912 -20.204 3.180 19 1HB SER 648 1HB SER 648 -8.890 -18.981 5.067 20 2HB SER 648 2HB SER 648 -8.477 -20.153 3.816 21 HG SER 648 HG SER 648 -9.764 -18.463 2.471 22 H SER 649 H SER 649 -10.215 -22.338 3.416 23 HA SER 649 HA SER 649 -10.476 -23.443 6.136 24 1HB SER 649 1HB SER 649 -11.439 -25.478 5.106 25 2HB SER 649 2HB SER 649 -12.424 -24.050 4.793 26 HG SER 649 HG SER 649 -11.932 -24.144 2.724 27 H GLY 650 H GLY 650 -9.334 -25.498 6.482 28 1HA GLY 650 1HA GLY 650 -7.234 -26.471 6.624 29 2HA GLY 650 2HA GLY 650 -7.569 -26.815 4.933 30 H ALA 651 H ALA 651 -5.912 -24.696 7.164 31 HA ALA 651 HA ALA 651 -4.363 -23.610 4.901 32 1HB ALA 651 1HB ALA 651 -4.408 -21.543 5.785 33 2HB ALA 651 2HB ALA 651 -5.836 -22.142 6.631 34 3HB ALA 651 3HB ALA 651 -4.269 -22.134 7.441 35 H ARG 652 H ARG 652 -2.660 -25.000 4.836 36 HA ARG 652 HA ARG 652 -1.037 -25.208 7.287 37 1HB ARG 652 1HB ARG 652 -1.609 -27.267 5.167 38 2HB ARG 652 2HB ARG 652 -0.201 -27.389 6.213 39 1HG ARG 652 1HG ARG 652 -3.021 -27.179 7.238 40 2HG ARG 652 2HG ARG 652 -2.190 -28.709 6.948 41 1HD ARG 652 1HD ARG 652 -0.335 -27.570 8.448 42 2HD ARG 652 2HD ARG 652 -1.717 -26.650 9.040 43 HE ARG 652 HE ARG 652 -2.464 -28.527 10.119 44 1HH1 ARG 652 2HH1 ARG 652 -0.023 -29.427 7.806 45 2HH1 ARG 652 1HH1 ARG 652 0.080 -31.066 8.356 46 1HH2 ARG 652 2HH2 ARG 652 -2.337 -30.683 10.853 47 2HH2 ARG 652 1HH2 ARG 652 -1.237 -31.780 10.089 48 H GLU 653 H GLU 653 -0.636 -23.062 5.692 49 HA GLU 653 HA GLU 653 1.541 -23.684 3.853 50 1HB GLU 653 1HB GLU 653 1.463 -21.222 3.372 51 2HB GLU 653 2HB GLU 653 -0.025 -22.088 3.014 52 1HG GLU 653 1HG GLU 653 0.303 -20.756 5.660 53 2HG GLU 653 2HG GLU 653 -0.098 -19.796 4.238 54 H ARG 654 H ARG 654 2.831 -24.459 5.741 55 HA ARG 654 HA ARG 654 3.765 -22.642 7.705 56 1HB ARG 654 1HB ARG 654 3.820 -25.222 7.718 57 2HB ARG 654 2HB ARG 654 5.296 -25.058 6.777 58 1HG ARG 654 1HG ARG 654 6.229 -23.655 8.611 59 2HG ARG 654 2HG ARG 654 4.790 -24.035 9.559 60 1HD ARG 654 1HD ARG 654 5.336 -26.326 9.656 61 2HD ARG 654 2HD ARG 654 6.541 -26.172 8.378 62 HE ARG 654 HE ARG 654 7.564 -24.583 10.263 63 1HH1 ARG 654 2HH1 ARG 654 6.246 -27.800 10.444 64 2HH1 ARG 654 1HH1 ARG 654 7.255 -28.279 11.769 65 1HH2 ARG 654 2HH2 ARG 654 8.897 -25.202 12.007 66 2HH2 ARG 654 1HH2 ARG 654 8.762 -26.800 12.658 67 H ALA 655 H ALA 655 5.501 -24.068 4.929 68 HA ALA 655 HA ALA 655 7.281 -21.727 4.947 69 1HB ALA 655 1HB ALA 655 8.517 -23.740 5.225 70 2HB ALA 655 2HB ALA 655 7.680 -24.513 3.878 71 3HB ALA 655 3HB ALA 655 8.796 -23.182 3.575 72 H ILE 656 H ILE 656 4.824 -21.269 3.845 73 HA ILE 656 HA ILE 656 5.515 -20.933 1.016 74 HB ILE 656 HB ILE 656 2.854 -21.958 2.010 75 1HG1 ILE 656 1HG1 ILE 656 4.799 -23.224 0.074 76 2HG1 ILE 656 2HG1 ILE 656 4.748 -23.608 1.791 77 1HG2 ILE 656 1HG2 ILE 656 2.069 -20.745 0.283 78 2HG2 ILE 656 2HG2 ILE 656 3.651 -20.615 -0.482 79 3HG2 ILE 656 3HG2 ILE 656 2.694 -22.082 -0.683 80 1HD1 ILE 656 1HD1 ILE 656 2.123 -23.836 0.699 81 2HD1 ILE 656 2HD1 ILE 656 3.257 -24.756 -0.290 82 3HD1 ILE 656 3HD1 ILE 656 3.137 -25.074 1.441 83 H VAL 657 H VAL 657 5.643 -18.797 0.797 84 HA VAL 657 HA VAL 657 3.499 -17.146 1.971 85 HB VAL 657 HB VAL 657 6.379 -16.350 1.520 86 1HG1 VAL 657 1HG1 VAL 657 3.981 -14.792 1.814 87 2HG1 VAL 657 2HG1 VAL 657 5.077 -14.496 3.164 88 3HG1 VAL 657 3HG1 VAL 657 5.633 -14.257 1.507 89 1HG2 VAL 657 1HG2 VAL 657 6.541 -16.255 3.941 90 2HG2 VAL 657 2HG2 VAL 657 4.859 -16.764 4.095 91 3HG2 VAL 657 3HG2 VAL 657 6.058 -17.872 3.427 92 HA PRO 658 HA PRO 658 3.245 -16.685 -2.609 93 1HB PRO 658 1HB PRO 658 0.534 -16.537 -2.656 94 2HB PRO 658 2HB PRO 658 1.413 -18.071 -2.665 95 1HG PRO 658 1HG PRO 658 0.105 -16.650 -0.378 96 2HG PRO 658 2HG PRO 658 0.082 -18.376 -0.782 97 1HD PRO 658 1HD PRO 658 1.702 -17.349 1.129 98 2HD PRO 658 2HD PRO 658 2.162 -18.747 0.138 99 H LEU 659 H LEU 659 2.426 -14.897 -3.872 100 HA LEU 659 HA LEU 659 2.905 -12.396 -2.791 101 1HB LEU 659 1HB LEU 659 2.882 -12.954 -5.203 102 2HB LEU 659 2HB LEU 659 1.122 -13.020 -5.140 103 HG LEU 659 HG LEU 659 1.135 -10.606 -4.484 104 1HD1 LEU 659 1HD1 LEU 659 3.304 -10.313 -3.588 105 2HD1 LEU 659 2HD1 LEU 659 3.249 -9.370 -5.077 106 3HD1 LEU 659 3HD1 LEU 659 4.071 -10.930 -5.052 107 1HD2 LEU 659 1HD2 LEU 659 2.203 -10.000 -6.893 108 2HD2 LEU 659 2HD2 LEU 659 0.585 -10.664 -6.665 109 3HD2 LEU 659 3HD2 LEU 659 1.925 -11.732 -7.084 110 H GLU 660 H GLU 660 -0.221 -13.987 -3.360 111 HA GLU 660 HA GLU 660 -1.887 -11.924 -2.518 112 1HB GLU 660 1HB GLU 660 -2.195 -14.917 -2.475 113 2HB GLU 660 2HB GLU 660 -3.469 -13.855 -1.889 114 1HG GLU 660 1HG GLU 660 -4.067 -14.299 -4.087 115 2HG GLU 660 2HG GLU 660 -3.312 -12.708 -4.165 116 H ALA 661 H ALA 661 -0.091 -14.296 -0.663 117 HA ALA 661 HA ALA 661 -1.359 -13.829 1.829 118 1HB ALA 661 1HB ALA 661 1.120 -14.698 2.524 119 2HB ALA 661 2HB ALA 661 -0.219 -15.749 2.061 120 3HB ALA 661 3HB ALA 661 0.996 -15.290 0.867 121 H ARG 662 H ARG 662 1.971 -12.945 0.898 122 HA ARG 662 HA ARG 662 2.509 -11.194 2.938 123 1HB ARG 662 1HB ARG 662 4.064 -10.055 1.279 124 2HB ARG 662 2HB ARG 662 4.288 -11.785 1.501 125 1HG ARG 662 1HG ARG 662 2.696 -11.969 -0.555 126 2HG ARG 662 2HG ARG 662 3.196 -10.301 -0.840 127 1HD ARG 662 1HD ARG 662 4.929 -12.757 -0.698 128 2HD ARG 662 2HD ARG 662 4.669 -11.694 -2.080 129 HE ARG 662 HE ARG 662 5.787 -10.295 0.136 130 1HH1 ARG 662 2HH1 ARG 662 6.562 -12.438 -2.496 131 2HH1 ARG 662 1HH1 ARG 662 8.212 -11.919 -2.604 132 1HH2 ARG 662 2HH2 ARG 662 7.956 -9.604 0.003 133 2HH2 ARG 662 1HH2 ARG 662 9.004 -10.307 -1.182 134 H MET 663 H MET 663 1.255 -10.291 -0.279 135 HA MET 663 HA MET 663 0.900 -7.583 0.188 136 1HB MET 663 1HB MET 663 -0.495 -9.539 -1.611 137 2HB MET 663 2HB MET 663 -1.023 -7.863 -1.538 138 1HG MET 663 1HG MET 663 1.445 -7.296 -1.999 139 2HG MET 663 2HG MET 663 1.574 -8.978 -2.509 140 1HE MET 663 1HE MET 663 1.991 -6.586 -5.166 141 2HE MET 663 2HE MET 663 0.645 -5.501 -4.817 142 3HE MET 663 3HE MET 663 1.774 -5.947 -3.537 143 H LYS 664 H LYS 664 -1.395 -10.242 0.723 144 HA LYS 664 HA LYS 664 -3.608 -8.813 1.534 145 1HB LYS 664 1HB LYS 664 -2.547 -11.525 2.134 146 2HB LYS 664 2HB LYS 664 -3.840 -10.923 3.162 147 1HG LYS 664 1HG LYS 664 -4.034 -10.952 0.165 148 2HG LYS 664 2HG LYS 664 -4.535 -12.311 1.174 149 1HD LYS 664 1HD LYS 664 -5.571 -9.593 1.820 150 2HD LYS 664 2HD LYS 664 -6.250 -10.449 0.433 151 1HE LYS 664 1HE LYS 664 -6.962 -12.259 1.790 152 2HE LYS 664 2HE LYS 664 -6.025 -11.684 3.168 153 1HZ LYS 664 1HZ LYS 664 -7.710 -10.420 3.813 154 2HZ LYS 664 2HZ LYS 664 -8.669 -11.143 2.621 155 3HZ LYS 664 3HZ LYS 664 -7.852 -9.699 2.289 156 H GLN 665 H GLN 665 -0.914 -9.954 3.558 157 HA GLN 665 HA GLN 665 -1.830 -9.006 6.008 158 1HB GLN 665 1HB GLN 665 1.049 -9.122 5.099 159 2HB GLN 665 2HB GLN 665 0.473 -9.129 6.760 160 1HG GLN 665 1HG GLN 665 -0.594 -11.286 6.395 161 2HG GLN 665 2HG GLN 665 -0.050 -11.277 4.719 162 1HE2 GLN 665 1HE2 GLN 665 0.939 -11.531 8.053 163 2HE2 GLN 665 2HE2 GLN 665 2.492 -12.223 7.746 164 H PHE 666 H PHE 666 0.566 -7.420 3.890 165 HA PHE 666 HA PHE 666 0.856 -5.048 5.208 166 1HB PHE 666 1HB PHE 666 1.963 -5.868 3.025 167 2HB PHE 666 2HB PHE 666 0.604 -5.100 2.210 168 HD1 PHE 666 1HD PHE 666 3.346 -4.411 4.620 169 HD2 PHE 666 2HD PHE 666 0.673 -2.839 1.705 170 HE1 PHE 666 1HE PHE 666 4.518 -2.250 4.717 171 HE2 PHE 666 2HE PHE 666 1.841 -0.675 1.796 172 HZ PHE 666 HZ PHE 666 3.766 -0.379 3.303 173 H LYS 667 H LYS 667 -1.426 -5.506 2.503 174 HA LYS 667 HA LYS 667 -2.766 -3.123 2.635 175 1HB LYS 667 1HB LYS 667 -3.073 -5.093 1.008 176 2HB LYS 667 2HB LYS 667 -4.236 -5.709 2.175 177 1HG LYS 667 1HG LYS 667 -5.679 -3.881 1.863 178 2HG LYS 667 2HG LYS 667 -4.440 -2.945 1.023 179 1HD LYS 667 1HD LYS 667 -4.482 -4.638 -0.799 180 2HD LYS 667 2HD LYS 667 -5.826 -5.433 0.024 181 1HE LYS 667 1HE LYS 667 -6.976 -3.137 -0.078 182 2HE LYS 667 2HE LYS 667 -5.745 -2.727 -1.273 183 1HZ LYS 667 1HZ LYS 667 -8.096 -4.299 -1.580 184 2HZ LYS 667 2HZ LYS 667 -6.726 -5.169 -2.056 185 3HZ LYS 667 3HZ LYS 667 -7.065 -3.671 -2.766 186 H ASP 668 H ASP 668 -3.554 -6.084 4.442 187 HA ASP 668 HA ASP 668 -5.804 -5.286 5.782 188 1HB ASP 668 1HB ASP 668 -4.557 -7.528 5.897 189 2HB ASP 668 2HB ASP 668 -3.602 -6.793 7.182 190 H MET 669 H MET 669 -2.440 -4.732 6.803 191 HA MET 669 HA MET 669 -3.004 -3.354 9.167 192 1HB MET 669 1HB MET 669 -0.637 -2.543 7.549 193 2HB MET 669 2HB MET 669 -0.755 -2.886 9.270 194 1HG MET 669 1HG MET 669 -1.090 -5.316 8.598 195 2HG MET 669 2HG MET 669 -0.557 -4.823 6.992 196 1HE MET 669 1HE MET 669 1.262 -3.017 6.948 197 2HE MET 669 2HE MET 669 2.312 -2.656 8.318 198 3HE MET 669 3HE MET 669 2.829 -3.814 7.091 199 H LEU 670 H LEU 670 -1.932 -1.891 6.091 200 HA LEU 670 HA LEU 670 -2.237 0.729 6.567 201 1HB LEU 670 1HB LEU 670 -3.302 -0.632 4.097 202 2HB LEU 670 2HB LEU 670 -2.827 1.060 4.234 203 HG LEU 670 HG LEU 670 -0.924 -1.258 4.550 204 1HD1 LEU 670 1HD1 LEU 670 -1.473 -1.437 2.322 205 2HD1 LEU 670 2HD1 LEU 670 -0.134 -0.292 2.265 206 3HD1 LEU 670 3HD1 LEU 670 -1.795 0.289 2.150 207 1HD2 LEU 670 1HD2 LEU 670 0.299 1.169 3.742 208 2HD2 LEU 670 2HD2 LEU 670 0.521 0.273 5.245 209 3HD2 LEU 670 3HD2 LEU 670 -0.728 1.514 5.134 210 H LEU 671 H LEU 671 -4.894 -1.511 5.910 211 HA LEU 671 HA LEU 671 -6.909 0.527 6.045 212 1HB LEU 671 1HB LEU 671 -7.158 -1.547 4.724 213 2HB LEU 671 2HB LEU 671 -7.196 -2.469 6.225 214 HG LEU 671 HG LEU 671 -9.258 -1.097 6.827 215 1HD1 LEU 671 1HD1 LEU 671 -9.240 -0.543 3.866 216 2HD1 LEU 671 2HD1 LEU 671 -8.876 0.650 5.112 217 3HD1 LEU 671 3HD1 LEU 671 -10.480 -0.077 5.029 218 1HD2 LEU 671 1HD2 LEU 671 -9.580 -2.845 4.402 219 2HD2 LEU 671 2HD2 LEU 671 -10.697 -2.625 5.749 220 3HD2 LEU 671 3HD2 LEU 671 -9.178 -3.488 5.994 221 H GLU 672 H GLU 672 -5.601 -1.898 8.246 222 HA GLU 672 HA GLU 672 -7.498 -1.403 10.323 223 1HB GLU 672 1HB GLU 672 -4.986 -2.972 10.042 224 2HB GLU 672 2HB GLU 672 -5.497 -2.548 11.670 225 1HG GLU 672 1HG GLU 672 -7.003 -4.161 9.634 226 2HG GLU 672 2HG GLU 672 -6.361 -4.700 11.184 227 H ARG 673 H ARG 673 -3.979 -0.808 10.284 228 HA ARG 673 HA ARG 673 -3.670 0.735 12.468 229 1HB ARG 673 1HB ARG 673 -2.428 1.134 9.746 230 2HB ARG 673 2HB ARG 673 -1.899 2.003 11.180 231 1HG ARG 673 1HG ARG 673 -1.898 -0.993 10.885 232 2HG ARG 673 2HG ARG 673 -0.494 0.052 10.659 233 1HD ARG 673 1HD ARG 673 -0.240 -0.659 12.847 234 2HD ARG 673 2HD ARG 673 -1.048 0.895 13.044 235 HE ARG 673 HE ARG 673 -3.027 -1.049 12.904 236 1HH1 ARG 673 2HH1 ARG 673 -0.376 -0.183 14.988 237 2HH1 ARG 673 1HH1 ARG 673 -1.124 -0.813 16.418 238 1HH2 ARG 673 2HH2 ARG 673 -4.022 -1.882 14.780 239 2HH2 ARG 673 1HH2 ARG 673 -3.197 -1.780 16.298 240 H GLY 674 H GLY 674 -5.168 1.730 9.455 241 1HA GLY 674 1HA GLY 674 -6.847 3.410 9.372 242 2HA GLY 674 2HA GLY 674 -6.155 4.133 10.816 243 H VAL 675 H VAL 675 -4.083 3.162 8.210 244 HA VAL 675 HA VAL 675 -2.775 5.578 7.958 245 HB VAL 675 HB VAL 675 -3.149 3.357 5.958 246 1HG1 VAL 675 1HG1 VAL 675 -2.483 4.772 4.366 247 2HG1 VAL 675 2HG1 VAL 675 -2.079 6.028 5.537 248 3HG1 VAL 675 3HG1 VAL 675 -0.911 4.759 5.164 249 1HG2 VAL 675 1HG2 VAL 675 -1.820 2.585 7.704 250 2HG2 VAL 675 2HG2 VAL 675 -0.639 3.139 6.517 251 3HG2 VAL 675 3HG2 VAL 675 -1.021 4.143 7.916 252 H SER 676 H SER 676 -4.024 7.390 7.786 253 HA SER 676 HA SER 676 -6.299 7.744 6.240 254 1HB SER 676 1HB SER 676 -4.198 9.716 7.145 255 2HB SER 676 2HB SER 676 -5.669 10.210 6.308 256 HG SER 676 HG SER 676 -6.874 9.322 7.996 257 H ALA 677 H ALA 677 -6.696 8.085 4.139 258 HA ALA 677 HA ALA 677 -4.708 7.596 2.197 259 1HB ALA 677 1HB ALA 677 -7.188 7.179 1.978 260 2HB ALA 677 2HB ALA 677 -7.363 8.907 1.668 261 3HB ALA 677 3HB ALA 677 -6.401 7.908 0.578 262 H PHE 678 H PHE 678 -6.369 10.585 3.172 263 HA PHE 678 HA PHE 678 -4.840 12.215 1.374 264 1HB PHE 678 1HB PHE 678 -6.467 13.152 3.738 265 2HB PHE 678 2HB PHE 678 -6.027 14.074 2.304 266 HD1 PHE 678 1HD PHE 678 -7.148 13.672 0.175 267 HD2 PHE 678 2HD PHE 678 -8.299 11.612 3.717 268 HE1 PHE 678 1HE PHE 678 -9.257 13.005 -0.903 269 HE2 PHE 678 2HE PHE 678 -10.410 10.941 2.645 270 HZ PHE 678 HZ PHE 678 -10.890 11.637 0.332 271 H SER 679 H SER 679 -3.018 10.793 2.768 272 HA SER 679 HA SER 679 -1.775 12.843 4.473 273 1HB SER 679 1HB SER 679 -2.772 10.686 5.630 274 2HB SER 679 2HB SER 679 -1.277 9.951 5.054 275 HG SER 679 HG SER 679 -0.277 10.921 6.613 276 H THR 680 H THR 680 0.647 12.144 4.848 277 HA THR 680 HA THR 680 1.773 11.800 2.174 278 HB THR 680 HB THR 680 3.903 12.550 3.211 279 HG1 THR 680 1HG THR 680 4.055 12.694 5.318 280 1HG2 THR 680 1HG2 THR 680 1.715 14.058 2.523 281 2HG2 THR 680 2HG2 THR 680 3.328 14.691 2.853 282 3HG2 THR 680 3HG2 THR 680 2.111 14.670 4.129 283 H TRP 681 H TRP 681 3.209 10.205 1.620 284 HA TRP 681 HA TRP 681 2.974 7.703 2.823 285 1HB TRP 681 1HB TRP 681 3.661 7.702 0.577 286 2HB TRP 681 2HB TRP 681 4.955 8.858 0.878 287 HD1 TRP 681 HD TRP 681 7.289 7.824 0.960 288 HE1 TRP 681 1HE TRP 681 8.259 5.479 1.393 289 HE3 TRP 681 3HE TRP 681 2.959 5.352 2.090 290 HZ2 TRP 681 2HZ TRP 681 7.313 2.920 2.117 291 HZ3 TRP 681 3HZ TRP 681 3.079 2.957 2.641 292 HH2 TRP 681 HH TRP 681 5.211 1.768 2.653 293 H GLU 682 H GLU 682 5.237 10.303 3.404 294 HA GLU 682 HA GLU 682 7.212 8.892 4.800 295 1HB GLU 682 1HB GLU 682 6.324 11.733 4.690 296 2HB GLU 682 2HB GLU 682 7.381 11.258 6.011 297 1HG GLU 682 1HG GLU 682 8.776 10.191 4.041 298 2HG GLU 682 2HG GLU 682 7.930 11.419 3.101 299 H LYS 683 H LYS 683 4.465 10.757 6.105 300 HA LYS 683 HA LYS 683 4.833 10.079 8.786 301 1HB LYS 683 1HB LYS 683 2.541 11.058 7.155 302 2HB LYS 683 2HB LYS 683 2.192 10.430 8.761 303 1HG LYS 683 1HG LYS 683 3.732 12.037 9.742 304 2HG LYS 683 2HG LYS 683 4.130 12.650 8.135 305 1HD LYS 683 1HD LYS 683 1.579 13.053 7.926 306 2HD LYS 683 2HD LYS 683 1.579 12.915 9.686 307 1HE LYS 683 1HE LYS 683 2.904 14.808 9.956 308 2HE LYS 683 2HE LYS 683 3.503 14.744 8.299 309 1HZ LYS 683 1HZ LYS 683 1.958 16.241 7.822 310 2HZ LYS 683 2HZ LYS 683 1.216 16.084 9.334 311 3HZ LYS 683 3HZ LYS 683 0.785 15.047 8.068 312 H GLU 684 H GLU 684 2.480 8.659 6.505 313 HA GLU 684 HA GLU 684 1.596 6.602 8.152 314 1HB GLU 684 1HB GLU 684 1.858 6.508 5.142 315 2HB GLU 684 2HB GLU 684 0.795 5.514 6.129 316 1HG GLU 684 1HG GLU 684 0.612 8.510 5.971 317 2HG GLU 684 2HG GLU 684 -0.321 7.409 4.959 318 H LEU 685 H LEU 685 4.334 6.697 5.919 319 HA LEU 685 HA LEU 685 5.091 4.051 5.897 320 1HB LEU 685 1HB LEU 685 6.299 5.444 4.494 321 2HB LEU 685 2HB LEU 685 6.630 6.610 5.773 322 HG LEU 685 HG LEU 685 8.118 4.769 6.782 323 1HD1 LEU 685 1HD1 LEU 685 8.990 3.135 5.265 324 2HD1 LEU 685 2HD1 LEU 685 8.023 3.778 3.939 325 3HD1 LEU 685 3HD1 LEU 685 7.233 2.980 5.299 326 1HD2 LEU 685 1HD2 LEU 685 9.114 5.837 4.165 327 2HD2 LEU 685 2HD2 LEU 685 9.979 5.642 5.690 328 3HD2 LEU 685 3HD2 LEU 685 8.769 6.915 5.518 329 H HIS 686 H HIS 686 6.350 6.527 8.140 330 HA HIS 686 HA HIS 686 7.752 4.745 9.787 331 1HB HIS 686 1HB HIS 686 8.046 6.549 11.274 332 2HB HIS 686 2HB HIS 686 7.914 7.302 9.687 333 HD1 HIS 686 1HD HIS 686 6.405 9.250 9.636 334 HD2 HIS 686 2HD HIS 686 5.340 6.560 12.618 335 HE1 HIS 686 1HE HIS 686 4.459 10.305 10.829 336 H LYS 687 H LYS 687 4.395 5.675 9.712 337 HA LYS 687 HA LYS 687 3.679 4.766 12.297 338 1HB LYS 687 1HB LYS 687 2.175 5.380 9.781 339 2HB LYS 687 2HB LYS 687 1.348 4.568 11.104 340 1HG LYS 687 1HG LYS 687 2.154 6.467 12.580 341 2HG LYS 687 2HG LYS 687 2.594 7.298 11.086 342 1HD LYS 687 1HD LYS 687 0.207 6.914 10.330 343 2HD LYS 687 2HD LYS 687 -0.141 6.418 11.988 344 1HE LYS 687 1HE LYS 687 0.817 8.641 12.716 345 2HE LYS 687 2HE LYS 687 0.807 9.105 11.015 346 1HZ LYS 687 1HZ LYS 687 -1.634 8.506 11.063 347 2HZ LYS 687 2HZ LYS 687 -1.190 9.908 11.899 348 3HZ LYS 687 3HZ LYS 687 -1.507 8.481 12.750 349 H ILE 688 H ILE 688 4.182 3.161 9.259 350 HA ILE 688 HA ILE 688 3.302 0.626 10.481 351 HB ILE 688 HB ILE 688 2.937 -0.231 8.200 352 1HG1 ILE 688 1HG1 ILE 688 3.130 2.580 7.166 353 2HG1 ILE 688 2HG1 ILE 688 4.569 1.569 7.243 354 1HG2 ILE 688 1HG2 ILE 688 1.090 1.745 7.740 355 2HG2 ILE 688 2HG2 ILE 688 0.871 0.362 8.812 356 3HG2 ILE 688 3HG2 ILE 688 1.413 1.908 9.466 357 1HD1 ILE 688 1HD1 ILE 688 2.523 1.625 5.273 358 2HD1 ILE 688 2HD1 ILE 688 4.012 0.681 5.302 359 3HD1 ILE 688 3HD1 ILE 688 2.542 0.033 6.030 360 H VAL 689 H VAL 689 5.981 2.276 10.030 361 HA VAL 689 HA VAL 689 7.651 0.428 8.620 362 HB VAL 689 HB VAL 689 8.055 2.943 8.971 363 1HG1 VAL 689 1HG1 VAL 689 7.827 2.620 11.517 364 2HG1 VAL 689 2HG1 VAL 689 9.500 2.062 11.444 365 3HG1 VAL 689 3HG1 VAL 689 9.089 3.694 10.915 366 1HG2 VAL 689 1HG2 VAL 689 9.639 1.418 7.882 367 2HG2 VAL 689 2HG2 VAL 689 10.469 2.653 8.829 368 3HG2 VAL 689 3HG2 VAL 689 10.322 1.011 9.457 369 H PHE 690 H PHE 690 6.651 0.853 11.925 370 HA PHE 690 HA PHE 690 8.711 -0.744 13.093 371 1HB PHE 690 1HB PHE 690 7.576 -0.467 15.130 372 2HB PHE 690 2HB PHE 690 7.218 1.011 14.244 373 HD1 PHE 690 1HD PHE 690 5.866 -2.155 15.486 374 HD2 PHE 690 2HD PHE 690 4.996 1.486 13.461 375 HE1 PHE 690 1HE PHE 690 3.458 -2.569 15.783 376 HE2 PHE 690 2HE PHE 690 2.588 1.078 13.755 377 HZ PHE 690 HZ PHE 690 1.816 -0.951 14.917 378 H ASP 691 H ASP 691 5.351 -1.338 12.136 379 HA ASP 691 HA ASP 691 4.849 -3.823 13.068 380 1HB ASP 691 1HB ASP 691 3.443 -2.376 11.476 381 2HB ASP 691 2HB ASP 691 4.314 -3.182 10.174 382 HA PRO 692 HA PRO 692 7.989 -6.521 11.557 383 1HB PRO 692 1HB PRO 692 6.695 -8.881 11.915 384 2HB PRO 692 2HB PRO 692 7.365 -7.940 13.253 385 1HG PRO 692 1HG PRO 692 4.542 -8.088 12.268 386 2HG PRO 692 2HG PRO 692 5.147 -8.092 13.935 387 1HD PRO 692 1HD PRO 692 4.125 -5.876 12.761 388 2HD PRO 692 2HD PRO 692 5.418 -5.804 13.975 389 H ARG 693 H ARG 693 4.664 -6.994 10.404 390 HA ARG 693 HA ARG 693 5.272 -8.586 8.176 391 1HB ARG 693 1HB ARG 693 2.984 -6.661 8.620 392 2HB ARG 693 2HB ARG 693 3.065 -7.824 7.303 393 1HG ARG 693 1HG ARG 693 2.858 -9.652 8.754 394 2HG ARG 693 2HG ARG 693 3.235 -8.674 10.173 395 1HD ARG 693 1HD ARG 693 0.810 -8.147 8.482 396 2HD ARG 693 2HD ARG 693 0.791 -9.329 9.790 397 HE ARG 693 HE ARG 693 1.800 -6.889 10.756 398 1HH1 ARG 693 2HH1 ARG 693 -1.173 -8.324 9.652 399 2HH1 ARG 693 1HH1 ARG 693 -2.180 -7.298 10.618 400 1HH2 ARG 693 2HH2 ARG 693 0.485 -5.531 12.033 401 2HH2 ARG 693 1HH2 ARG 693 -1.236 -5.708 11.971 402 H TYR 694 H TYR 694 5.526 -5.166 8.709 403 HA TYR 694 HA TYR 694 5.533 -4.276 6.043 404 1HB TYR 694 1HB TYR 694 5.313 -2.612 7.697 405 2HB TYR 694 2HB TYR 694 6.726 -3.180 8.580 406 HD1 TYR 694 1HD TYR 694 9.003 -3.001 7.301 407 HD2 TYR 694 2HD TYR 694 5.518 -0.777 6.296 408 HE1 TYR 694 1HE TYR 694 10.402 -1.347 6.137 409 HE2 TYR 694 2HE TYR 694 6.907 0.883 5.128 410 HH TYR 694 HH TYR 694 10.114 0.345 4.306 411 H LEU 695 H LEU 695 7.891 -5.961 7.911 412 HA LEU 695 HA LEU 695 10.061 -5.305 6.083 413 1HB LEU 695 1HB LEU 695 10.085 -7.204 8.420 414 2HB LEU 695 2HB LEU 695 11.480 -6.537 7.576 415 HG LEU 695 HG LEU 695 9.541 -4.833 9.126 416 1HD1 LEU 695 1HD1 LEU 695 11.785 -6.519 10.057 417 2HD1 LEU 695 2HD1 LEU 695 10.330 -5.992 10.903 418 3HD1 LEU 695 3HD1 LEU 695 11.687 -4.883 10.710 419 1HD2 LEU 695 1HD2 LEU 695 10.755 -3.140 8.369 420 2HD2 LEU 695 2HD2 LEU 695 11.675 -4.265 7.371 421 3HD2 LEU 695 3HD2 LEU 695 12.227 -3.877 9.001 422 H LEU 696 H LEU 696 7.529 -7.168 5.722 423 HA LEU 696 HA LEU 696 8.851 -9.621 4.886 424 1HB LEU 696 1HB LEU 696 5.962 -8.767 4.862 425 2HB LEU 696 2HB LEU 696 6.534 -10.332 4.286 426 HG LEU 696 HG LEU 696 6.874 -9.351 7.117 427 1HD1 LEU 696 1HD1 LEU 696 5.018 -10.758 7.716 428 2HD1 LEU 696 2HD1 LEU 696 4.816 -11.271 6.042 429 3HD1 LEU 696 3HD1 LEU 696 4.492 -9.598 6.496 430 1HD2 LEU 696 1HD2 LEU 696 8.429 -11.122 6.133 431 2HD2 LEU 696 2HD2 LEU 696 7.012 -12.171 6.095 432 3HD2 LEU 696 3HD2 LEU 696 7.589 -11.522 7.631 433 H LEU 697 H LEU 697 7.127 -6.884 3.460 434 HA LEU 697 HA LEU 697 7.617 -7.900 0.773 435 1HB LEU 697 1HB LEU 697 6.080 -5.565 1.867 436 2HB LEU 697 2HB LEU 697 6.406 -5.739 0.143 437 HG LEU 697 HG LEU 697 4.929 -7.795 1.779 438 1HD1 LEU 697 1HD1 LEU 697 3.737 -5.712 -0.038 439 2HD1 LEU 697 2HD1 LEU 697 3.773 -5.582 1.720 440 3HD1 LEU 697 3HD1 LEU 697 2.882 -6.896 0.952 441 1HD2 LEU 697 1HD2 LEU 697 4.865 -7.398 -1.194 442 2HD2 LEU 697 2HD2 LEU 697 4.393 -8.814 -0.255 443 3HD2 LEU 697 3HD2 LEU 697 6.099 -8.393 -0.421 444 H ASN 698 H ASN 698 8.450 -6.319 -0.873 445 HA ASN 698 HA ASN 698 10.977 -5.290 0.034 446 1HB ASN 698 1HB ASN 698 10.815 -4.471 -2.552 447 2HB ASN 698 2HB ASN 698 11.360 -6.071 -2.058 448 1HD2 ASN 698 1HD2 ASN 698 10.678 -7.032 -3.951 449 2HD2 ASN 698 2HD2 ASN 698 9.008 -7.280 -4.319 450 HA PRO 699 HA PRO 699 10.101 -1.013 0.467 451 1HB PRO 699 1HB PRO 699 12.163 0.192 -0.826 452 2HB PRO 699 2HB PRO 699 12.356 -0.648 0.718 453 1HG PRO 699 1HG PRO 699 12.954 -1.613 -2.052 454 2HG PRO 699 2HG PRO 699 13.909 -1.804 -0.570 455 1HD PRO 699 1HD PRO 699 12.345 -3.780 -1.559 456 2HD PRO 699 2HD PRO 699 12.626 -3.565 0.181 457 H LYS 700 H LYS 700 10.612 -2.184 -2.791 458 HA LYS 700 HA LYS 700 9.677 0.160 -4.122 459 1HB LYS 700 1HB LYS 700 10.352 -2.629 -4.907 460 2HB LYS 700 2HB LYS 700 9.313 -1.713 -5.991 461 1HG LYS 700 1HG LYS 700 11.379 -1.237 -6.850 462 2HG LYS 700 2HG LYS 700 11.158 0.118 -5.741 463 1HD LYS 700 1HD LYS 700 12.481 -1.032 -4.049 464 2HD LYS 700 2HD LYS 700 12.669 -2.421 -5.122 465 1HE LYS 700 1HE LYS 700 13.637 0.372 -5.722 466 2HE LYS 700 2HE LYS 700 14.646 -0.930 -5.093 467 1HZ LYS 700 1HZ LYS 700 13.232 -1.777 -7.401 468 2HZ LYS 700 2HZ LYS 700 14.900 -1.742 -7.125 469 3HZ LYS 700 3HZ LYS 700 14.115 -0.374 -7.738 470 H GLU 701 H GLU 701 8.195 -2.975 -3.339 471 HA GLU 701 HA GLU 701 5.670 -2.380 -4.462 472 1HB GLU 701 1HB GLU 701 6.516 -4.371 -2.358 473 2HB GLU 701 2HB GLU 701 4.880 -4.281 -2.994 474 1HG GLU 701 1HG GLU 701 6.557 -5.983 -3.987 475 2HG GLU 701 2HG GLU 701 5.486 -5.081 -5.058 476 H ARG 702 H ARG 702 6.786 -2.361 -1.077 477 HA ARG 702 HA ARG 702 4.633 -1.661 0.334 478 1HB ARG 702 1HB ARG 702 7.403 -0.492 0.470 479 2HB ARG 702 2HB ARG 702 6.157 -0.039 1.625 480 1HG ARG 702 1HG ARG 702 5.999 -2.249 2.460 481 2HG ARG 702 2HG ARG 702 6.977 -2.888 1.137 482 1HD ARG 702 1HD ARG 702 8.818 -1.329 2.019 483 2HD ARG 702 2HD ARG 702 7.835 -1.220 3.479 484 HE ARG 702 HE ARG 702 8.072 -3.892 3.060 485 1HH1 ARG 702 2HH1 ARG 702 10.348 -1.271 3.329 486 2HH1 ARG 702 1HH1 ARG 702 11.606 -2.259 3.995 487 1HH2 ARG 702 2HH2 ARG 702 9.720 -5.203 3.936 488 2HH2 ARG 702 1HH2 ARG 702 11.248 -4.495 4.339 489 H LYS 703 H LYS 703 6.450 0.594 -1.712 490 HA LYS 703 HA LYS 703 4.745 2.818 -1.134 491 1HB LYS 703 1HB LYS 703 7.144 2.987 -1.870 492 2HB LYS 703 2HB LYS 703 6.626 2.488 -3.475 493 1HG LYS 703 1HG LYS 703 6.692 4.776 -3.682 494 2HG LYS 703 2HG LYS 703 4.993 4.498 -3.290 495 1HD LYS 703 1HD LYS 703 5.391 5.071 -0.977 496 2HD LYS 703 2HD LYS 703 7.124 5.221 -1.279 497 1HE LYS 703 1HE LYS 703 6.396 7.424 -1.317 498 2HE LYS 703 2HE LYS 703 6.431 6.992 -3.025 499 1HZ LYS 703 1HZ LYS 703 4.327 8.092 -1.765 500 2HZ LYS 703 2HZ LYS 703 3.919 6.452 -1.716 501 3HZ LYS 703 3HZ LYS 703 4.226 7.203 -3.200 502 H GLN 704 H GLN 704 5.132 0.659 -3.935 503 HA GLN 704 HA GLN 704 3.193 1.779 -5.581 504 1HB GLN 704 1HB GLN 704 4.147 -1.070 -5.308 505 2HB GLN 704 2HB GLN 704 3.024 -0.557 -6.560 506 1HG GLN 704 1HG GLN 704 4.682 1.004 -7.423 507 2HG GLN 704 2HG GLN 704 5.806 0.517 -6.156 508 1HE2 GLN 704 1HE2 GLN 704 7.057 0.168 -8.236 509 2HE2 GLN 704 2HE2 GLN 704 6.974 -1.414 -8.924 510 H VAL 705 H VAL 705 2.806 -1.038 -3.422 511 HA VAL 705 HA VAL 705 0.062 -1.363 -3.755 512 HB VAL 705 HB VAL 705 1.713 -1.950 -1.293 513 1HG1 VAL 705 1HG1 VAL 705 -0.927 -3.159 -2.096 514 2HG1 VAL 705 2HG1 VAL 705 -0.032 -3.424 -0.598 515 3HG1 VAL 705 3HG1 VAL 705 -0.760 -1.851 -0.926 516 1HG2 VAL 705 1HG2 VAL 705 2.682 -3.200 -2.996 517 2HG2 VAL 705 2HG2 VAL 705 1.511 -4.321 -2.301 518 3HG2 VAL 705 3HG2 VAL 705 1.140 -3.478 -3.805 519 H PHE 706 H PHE 706 1.801 0.461 -1.240 520 HA PHE 706 HA PHE 706 -0.366 1.357 0.224 521 1HB PHE 706 1HB PHE 706 1.714 1.818 1.175 522 2HB PHE 706 2HB PHE 706 2.351 2.509 -0.314 523 HD1 PHE 706 1HD PHE 706 2.245 4.812 -0.717 524 HD2 PHE 706 2HD PHE 706 -0.008 3.117 2.472 525 HE1 PHE 706 1HE PHE 706 1.713 7.070 0.102 526 HE2 PHE 706 2HE PHE 706 -0.544 5.373 3.296 527 HZ PHE 706 HZ PHE 706 0.316 7.353 2.110 528 H ASP 707 H ASP 707 1.047 2.717 -2.714 529 HA ASP 707 HA ASP 707 -0.471 5.076 -2.815 530 1HB ASP 707 1HB ASP 707 1.577 4.295 -4.242 531 2HB ASP 707 2HB ASP 707 0.346 3.629 -5.312 532 H GLN 708 H GLN 708 -1.065 1.873 -4.225 533 HA GLN 708 HA GLN 708 -3.444 2.511 -5.564 534 1HB GLN 708 1HB GLN 708 -2.709 -0.156 -4.349 535 2HB GLN 708 2HB GLN 708 -3.853 0.124 -5.655 536 1HG GLN 708 1HG GLN 708 -1.739 1.203 -6.805 537 2HG GLN 708 2HG GLN 708 -0.886 0.136 -5.691 538 1HE2 GLN 708 1HE2 GLN 708 -3.508 0.129 -8.071 539 2HE2 GLN 708 2HE2 GLN 708 -3.182 -1.453 -8.683 540 H TYR 709 H TYR 709 -2.845 1.430 -2.258 541 HA TYR 709 HA TYR 709 -5.525 1.013 -1.513 542 1HB TYR 709 1HB TYR 709 -3.893 0.106 -0.076 543 2HB TYR 709 2HB TYR 709 -3.028 1.634 0.049 544 HD1 TYR 709 1HD TYR 709 -5.880 -0.317 1.255 545 HD2 TYR 709 2HD TYR 709 -3.800 3.383 1.552 546 HE1 TYR 709 1HE TYR 709 -7.100 0.196 3.328 547 HE2 TYR 709 2HE TYR 709 -5.014 3.906 3.626 548 HH TYR 709 HH TYR 709 -7.757 2.338 4.595 549 H VAL 710 H VAL 710 -3.446 3.874 -1.317 550 HA VAL 710 HA VAL 710 -5.264 5.536 0.047 551 HB VAL 710 HB VAL 710 -3.067 6.307 -1.879 552 1HG1 VAL 710 1HG1 VAL 710 -4.285 8.036 0.257 553 2HG1 VAL 710 2HG1 VAL 710 -3.200 8.510 -1.052 554 3HG1 VAL 710 3HG1 VAL 710 -4.862 8.039 -1.409 555 1HG2 VAL 710 1HG2 VAL 710 -1.578 6.186 -0.175 556 2HG2 VAL 710 2HG2 VAL 710 -2.772 6.622 1.048 557 3HG2 VAL 710 3HG2 VAL 710 -2.716 4.976 0.417 558 H LYS 711 H LYS 711 -4.580 5.187 -3.427 559 HA LYS 711 HA LYS 711 -6.329 7.100 -4.405 560 1HB LYS 711 1HB LYS 711 -4.624 5.704 -5.686 561 2HB LYS 711 2HB LYS 711 -5.847 4.442 -5.745 562 1HG LYS 711 1HG LYS 711 -7.327 6.388 -6.721 563 2HG LYS 711 2HG LYS 711 -5.751 7.062 -7.142 564 1HD LYS 711 1HD LYS 711 -5.254 4.747 -8.139 565 2HD LYS 711 2HD LYS 711 -6.996 4.481 -8.038 566 1HE LYS 711 1HE LYS 711 -7.409 6.400 -9.445 567 2HE LYS 711 2HE LYS 711 -5.692 6.798 -9.462 568 1HZ LYS 711 1HZ LYS 711 -5.258 5.234 -10.993 569 2HZ LYS 711 2HZ LYS 711 -6.905 5.367 -11.355 570 3HZ LYS 711 3HZ LYS 711 -6.358 4.121 -10.351 571 H THR 712 H THR 712 -6.962 3.662 -3.757 572 HA THR 712 HA THR 712 -9.681 3.727 -4.533 573 HB THR 712 HB THR 712 -9.785 1.635 -2.977 574 HG1 THR 712 1HG THR 712 -8.001 1.289 -1.909 575 1HG2 THR 712 1HG2 THR 712 -7.798 1.055 -5.045 576 2HG2 THR 712 2HG2 THR 712 -9.164 2.011 -5.621 577 3HG2 THR 712 3HG2 THR 712 -9.443 0.449 -4.853 578 H ARG 713 H ARG 713 -8.043 4.255 -1.458 579 HA ARG 713 HA ARG 713 -10.361 4.291 0.162 580 1HB ARG 713 1HB ARG 713 -7.539 5.214 0.466 581 2HB ARG 713 2HB ARG 713 -8.735 5.795 1.616 582 1HG ARG 713 1HG ARG 713 -8.461 2.873 1.041 583 2HG ARG 713 2HG ARG 713 -7.386 3.681 2.183 584 1HD ARG 713 1HD ARG 713 -10.399 3.661 2.326 585 2HD ARG 713 2HD ARG 713 -9.325 2.649 3.291 586 HE ARG 713 HE ARG 713 -8.478 5.179 3.809 587 1HH1 ARG 713 2HH1 ARG 713 -11.556 3.563 3.982 588 2HH1 ARG 713 1HH1 ARG 713 -12.142 4.539 5.288 589 1HH2 ARG 713 2HH2 ARG 713 -9.238 6.472 5.528 590 2HH2 ARG 713 1HH2 ARG 713 -10.823 6.194 6.166 591 H ALA 714 H ALA 714 -8.848 6.660 -1.884 592 HA ALA 714 HA ALA 714 -10.251 8.910 -0.764 593 1HB ALA 714 1HB ALA 714 -8.232 8.468 -2.828 594 2HB ALA 714 2HB ALA 714 -9.390 9.738 -3.224 595 3HB ALA 714 3HB ALA 714 -8.456 9.830 -1.731 596 H GLU 715 H GLU 715 -10.423 7.185 -3.885 597 HA GLU 715 HA GLU 715 -12.628 8.509 -4.927 598 1HB GLU 715 1HB GLU 715 -12.643 6.914 -6.577 599 2HB GLU 715 2HB GLU 715 -11.025 6.671 -5.932 600 1HG GLU 715 1HG GLU 715 -11.779 4.784 -4.635 601 2HG GLU 715 2HG GLU 715 -13.443 5.062 -5.145 602 H GLU 716 H GLU 716 -12.461 5.888 -2.610 603 HA GLU 716 HA GLU 716 -15.357 5.560 -2.620 604 1HB GLU 716 1HB GLU 716 -13.511 3.693 -2.373 605 2HB GLU 716 2HB GLU 716 -13.564 4.162 -0.680 606 1HG GLU 716 1HG GLU 716 -15.903 3.628 -0.551 607 2HG GLU 716 2HG GLU 716 -15.961 3.302 -2.282 608 H GLU 717 H GLU 717 -14.030 8.046 -1.687 609 HA GLU 717 HA GLU 717 -13.908 8.356 1.039 610 1HB GLU 717 1HB GLU 717 -13.332 10.157 -0.474 611 2HB GLU 717 2HB GLU 717 -14.999 10.280 -1.020 612 1HG GLU 717 1HG GLU 717 -15.477 10.739 1.509 613 2HG GLU 717 2HG GLU 717 -13.770 11.177 1.538 614 H ARG 718 H ARG 718 -15.352 7.363 2.341 615 HA ARG 718 HA ARG 718 -18.208 7.922 1.905 616 1HB ARG 718 1HB ARG 718 -16.803 5.655 3.312 617 2HB ARG 718 2HB ARG 718 -18.525 5.959 3.497 618 1HG ARG 718 1HG ARG 718 -18.507 5.885 0.879 619 2HG ARG 718 2HG ARG 718 -17.014 4.977 1.130 620 1HD ARG 718 1HD ARG 718 -18.765 3.384 0.998 621 2HD ARG 718 2HD ARG 718 -18.308 3.495 2.698 622 HE ARG 718 HE ARG 718 -20.336 5.231 2.570 623 1HH1 ARG 718 2HH1 ARG 718 -20.009 1.980 1.369 624 2HH1 ARG 718 1HH1 ARG 718 -21.694 1.612 1.530 625 1HH2 ARG 718 2HH2 ARG 718 -22.557 4.759 2.786 626 2HH2 ARG 718 1HH2 ARG 718 -23.143 3.193 2.335 627 H ARG 719 H ARG 719 -19.527 8.151 3.894 628 HA ARG 719 HA ARG 719 -18.023 9.369 6.109 629 1HB ARG 719 1HB ARG 719 -20.214 10.542 4.464 630 2HB ARG 719 2HB ARG 719 -20.190 10.910 6.183 631 1HG ARG 719 1HG ARG 719 -17.725 11.273 4.535 632 2HG ARG 719 2HG ARG 719 -19.001 12.492 4.521 633 1HD ARG 719 1HD ARG 719 -17.698 13.284 6.228 634 2HD ARG 719 2HD ARG 719 -18.808 12.253 7.130 635 HE ARG 719 HE ARG 719 -17.020 10.983 7.733 636 1HH1 ARG 719 2HH1 ARG 719 -16.217 12.690 4.807 637 2HH1 ARG 719 1HH1 ARG 719 -14.584 12.114 4.764 638 1HH2 ARG 719 2HH2 ARG 719 -14.871 10.218 7.687 639 2HH2 ARG 719 1HH2 ARG 719 -13.819 10.707 6.402 640 H SER 720 H SER 720 -18.343 7.398 7.246 641 HA SER 720 HA SER 720 -20.729 7.357 8.805 642 1HB SER 720 1HB SER 720 -21.274 6.136 6.558 643 2HB SER 720 2HB SER 720 -20.327 4.820 7.252 644 HG SER 720 HG SER 720 -22.810 5.820 8.001 645 H GLY 721 H GLY 721 -20.687 5.597 10.442 646 1HA GLY 721 1HA GLY 721 -19.604 4.326 12.022 647 2HA GLY 721 2HA GLY 721 -18.378 3.989 10.808 648 HA PRO 722 HA PRO 722 -16.415 6.512 14.157 649 1HB PRO 722 1HB PRO 722 -14.175 4.987 14.309 650 2HB PRO 722 2HB PRO 722 -15.647 4.624 15.217 651 1HG PRO 722 1HG PRO 722 -14.658 3.430 12.656 652 2HG PRO 722 2HG PRO 722 -15.380 2.624 14.060 653 1HD PRO 722 1HD PRO 722 -16.786 3.171 11.812 654 2HD PRO 722 2HD PRO 722 -17.528 3.166 13.424 655 H SER 723 H SER 723 -13.998 7.270 14.130 656 HA SER 723 HA SER 723 -13.141 7.743 11.357 657 1HB SER 723 1HB SER 723 -12.597 10.093 11.984 658 2HB SER 723 2HB SER 723 -14.324 9.744 12.057 659 HG SER 723 HG SER 723 -12.492 10.002 14.196 660 H SER 724 H SER 724 -11.009 7.541 11.003 661 HA SER 724 HA SER 724 -9.318 6.926 13.319 662 1HB SER 724 1HB SER 724 -8.982 6.323 10.374 663 2HB SER 724 2HB SER 724 -7.765 5.957 11.597 664 HG SER 724 HG SER 724 -9.631 4.376 10.900 665 H GLY 725 H GLY 725 -7.235 7.835 13.540 666 1HA GLY 725 1HA GLY 725 -5.493 9.326 12.831 667 2HA GLY 725 2HA GLY 725 -6.680 10.192 11.868
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