NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
613716 | 5u4k | 26867 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 586 H1 GLY 586 27.201 2.854 -6.702 2 H2 GLY 586 H2 GLY 586 27.674 1.234 -6.581 3 H3 GLY 586 H3 GLY 586 28.472 2.418 -5.673 4 HA2 GLY 586 HA2 GLY 586 26.456 2.855 -4.413 5 HA3 GLY 586 HA3 GLY 586 25.628 1.625 -5.355 6 H VAL 587 H VAL 587 26.753 2.126 -2.426 7 HA VAL 587 HA VAL 587 28.165 -0.395 -2.012 8 HB VAL 587 HB VAL 587 27.472 1.812 -0.049 9 HG11 VAL 587 HG11 VAL 587 27.599 -0.333 1.115 10 HG12 VAL 587 HG12 VAL 587 28.970 0.693 1.535 11 HG13 VAL 587 HG13 VAL 587 29.181 -0.637 0.398 12 HG21 VAL 587 HG21 VAL 587 29.165 2.489 -1.664 13 HG22 VAL 587 HG22 VAL 587 30.115 1.051 -1.293 14 HG23 VAL 587 HG23 VAL 587 29.879 2.292 -0.062 15 H ARG 588 H ARG 588 27.319 -2.172 -1.070 16 HA ARG 588 HA ARG 588 24.433 -2.242 -0.682 17 HB2 ARG 588 HB2 ARG 588 26.460 -4.488 -0.828 18 HB3 ARG 588 HB3 ARG 588 24.735 -4.724 -0.613 19 HG2 ARG 588 HG2 ARG 588 24.301 -3.772 -2.806 20 HG3 ARG 588 HG3 ARG 588 26.018 -3.427 -3.018 21 HD2 ARG 588 HD2 ARG 588 26.500 -5.833 -2.877 22 HD3 ARG 588 HD3 ARG 588 24.777 -6.160 -2.708 23 HE ARG 588 HE ARG 588 25.157 -4.667 -5.038 24 HH11 ARG 588 HH11 ARG 588 25.918 -7.884 -3.847 25 HH12 ARG 588 HH12 ARG 588 25.902 -8.595 -5.428 26 HH21 ARG 588 HH21 ARG 588 25.142 -5.619 -7.091 27 HH22 ARG 588 HH22 ARG 588 25.461 -7.313 -7.260 28 H LYS 589 H LYS 589 23.410 -2.536 1.197 29 HA LYS 589 HA LYS 589 25.046 -2.761 3.628 30 HB2 LYS 589 HB2 LYS 589 22.337 -1.477 3.265 31 HB3 LYS 589 HB3 LYS 589 23.178 -1.618 4.800 32 HG2 LYS 589 HG2 LYS 589 25.068 -0.336 3.422 33 HG3 LYS 589 HG3 LYS 589 23.660 0.214 2.518 34 HD2 LYS 589 HD2 LYS 589 22.648 1.034 4.602 35 HD3 LYS 589 HD3 LYS 589 24.058 0.479 5.503 36 HE2 LYS 589 HE2 LYS 589 25.428 1.990 3.967 37 HE3 LYS 589 HE3 LYS 589 23.889 2.695 3.475 38 HZ1 LYS 589 HZ1 LYS 589 23.468 3.285 5.787 39 HZ2 LYS 589 HZ2 LYS 589 24.910 3.980 5.239 40 HZ3 LYS 589 HZ3 LYS 589 24.956 2.622 6.248 41 H GLY 590 H GLY 590 23.220 -3.449 5.535 42 HA2 GLY 590 HA2 GLY 590 23.120 -6.240 5.285 43 HA3 GLY 590 HA3 GLY 590 22.297 -5.306 6.518 44 H TRP 591 H TRP 591 20.561 -3.854 4.751 45 HA TRP 591 HA TRP 591 18.333 -5.553 4.688 46 HB2 TRP 591 HB2 TRP 591 17.167 -3.746 3.599 47 HB3 TRP 591 HB3 TRP 591 18.244 -3.070 4.810 48 HD1 TRP 591 HD1 TRP 591 20.345 -1.628 3.911 49 HE1 TRP 591 HE1 TRP 591 20.758 -0.435 1.668 50 HE3 TRP 591 HE3 TRP 591 16.738 -3.915 1.080 51 HZ2 TRP 591 HZ2 TRP 591 19.700 -0.454 -0.947 52 HZ3 TRP 591 HZ3 TRP 591 16.511 -3.270 -1.281 53 HH2 TRP 591 HH2 TRP 591 17.961 -1.572 -2.273 54 H HIS 592 H HIS 592 20.643 -4.776 2.145 55 HA HIS 592 HA HIS 592 19.148 -5.672 -0.076 56 HB2 HIS 592 HB2 HIS 592 21.123 -4.156 -0.189 57 HB3 HIS 592 HB3 HIS 592 22.161 -5.510 0.230 58 HD1 HIS 592 HD1 HIS 592 22.578 -7.298 -1.622 59 HD2 HIS 592 HD2 HIS 592 20.293 -4.050 -2.845 60 HE1 HIS 592 HE1 HIS 592 22.530 -7.417 -4.133 61 HE2 HIS 592 HE2 HIS 592 21.207 -5.399 -4.854 62 H GLU 593 H GLU 593 21.475 -7.345 2.022 63 HA GLU 593 HA GLU 593 21.146 -9.850 0.569 64 HB2 GLU 593 HB2 GLU 593 22.792 -9.219 3.017 65 HB3 GLU 593 HB3 GLU 593 22.823 -10.742 2.143 66 HG2 GLU 593 HG2 GLU 593 23.807 -8.054 1.257 67 HG3 GLU 593 HG3 GLU 593 24.732 -9.537 1.469 68 H HIS 594 H HIS 594 19.417 -8.246 2.847 69 HA HIS 594 HA HIS 594 18.630 -10.626 4.374 70 HB2 HIS 594 HB2 HIS 594 18.707 -7.703 4.925 71 HB3 HIS 594 HB3 HIS 594 17.402 -8.607 5.665 72 HD1 HIS 594 HD1 HIS 594 17.941 -9.565 7.901 73 HD2 HIS 594 HD2 HIS 594 21.341 -8.866 5.615 74 HE1 HIS 594 HE1 HIS 594 19.880 -10.146 9.398 75 HE2 HIS 594 HE2 HIS 594 21.934 -9.664 8.013 76 H VAL 595 H VAL 595 17.435 -8.305 2.035 77 HA VAL 595 HA VAL 595 14.659 -8.978 2.444 78 HB VAL 595 HB VAL 595 16.067 -7.234 0.419 79 HG11 VAL 595 HG11 VAL 595 13.122 -7.929 0.364 80 HG12 VAL 595 HG12 VAL 595 14.311 -8.384 -0.857 81 HG13 VAL 595 HG13 VAL 595 13.906 -6.685 -0.609 82 HG21 VAL 595 HG21 VAL 595 15.603 -6.286 2.611 83 HG22 VAL 595 HG22 VAL 595 13.893 -6.712 2.447 84 HG23 VAL 595 HG23 VAL 595 14.613 -5.506 1.377 85 H THR 596 H THR 596 13.572 -10.592 1.552 86 HA THR 596 HA THR 596 14.866 -12.222 -0.531 87 HB THR 596 HB THR 596 13.542 -14.102 0.227 88 HG1 THR 596 HG1 THR 596 12.177 -13.804 2.119 89 HG21 THR 596 HG21 THR 596 14.394 -14.401 2.497 90 HG22 THR 596 HG22 THR 596 14.780 -12.683 2.581 91 HG23 THR 596 HG23 THR 596 15.622 -13.721 1.431 92 H GLN 597 H GLN 597 13.109 -13.555 -1.787 93 HA GLN 597 HA GLN 597 11.224 -11.774 -3.033 94 HB2 GLN 597 HB2 GLN 597 11.692 -14.751 -3.365 95 HB3 GLN 597 HB3 GLN 597 10.536 -13.829 -4.308 96 HG2 GLN 597 HG2 GLN 597 12.354 -12.473 -5.222 97 HG3 GLN 597 HG3 GLN 597 13.509 -13.394 -4.275 98 HE21 GLN 597 HE21 GLN 597 11.099 -15.454 -5.360 99 HE22 GLN 597 HE22 GLN 597 11.886 -16.062 -6.773 100 H ASP 598 H ASP 598 11.220 -13.882 -0.336 101 HA ASP 598 HA ASP 598 8.339 -14.283 -0.280 102 HB2 ASP 598 HB2 ASP 598 10.511 -14.980 1.723 103 HB3 ASP 598 HB3 ASP 598 8.817 -15.419 1.897 104 H LEU 599 H LEU 599 10.719 -12.101 1.172 105 HA LEU 599 HA LEU 599 8.950 -10.916 3.048 106 HB2 LEU 599 HB2 LEU 599 11.537 -10.036 1.816 107 HB3 LEU 599 HB3 LEU 599 10.601 -8.883 2.740 108 HG LEU 599 HG LEU 599 11.625 -11.509 3.857 109 HD11 LEU 599 HD11 LEU 599 13.499 -10.137 3.275 110 HD12 LEU 599 HD12 LEU 599 13.273 -10.052 5.020 111 HD13 LEU 599 HD13 LEU 599 12.743 -8.711 3.996 112 HD21 LEU 599 HD21 LEU 599 10.737 -9.057 5.360 113 HD22 LEU 599 HD22 LEU 599 11.082 -10.659 6.004 114 HD23 LEU 599 HD23 LEU 599 9.646 -10.398 5.019 115 H ARG 600 H ARG 600 9.871 -9.999 -0.273 116 HA ARG 600 HA ARG 600 8.489 -7.584 -0.387 117 HB2 ARG 600 HB2 ARG 600 9.283 -9.496 -2.589 118 HB3 ARG 600 HB3 ARG 600 8.540 -7.941 -2.913 119 HG2 ARG 600 HG2 ARG 600 10.437 -6.794 -1.908 120 HG3 ARG 600 HG3 ARG 600 11.172 -8.343 -1.494 121 HD2 ARG 600 HD2 ARG 600 11.385 -8.894 -3.855 122 HD3 ARG 600 HD3 ARG 600 10.579 -7.390 -4.298 123 HE ARG 600 HE ARG 600 12.728 -6.632 -2.770 124 HH11 ARG 600 HH11 ARG 600 12.348 -8.435 -5.763 125 HH12 ARG 600 HH12 ARG 600 13.890 -7.948 -6.384 126 HH21 ARG 600 HH21 ARG 600 14.740 -6.012 -3.604 127 HH22 ARG 600 HH22 ARG 600 15.243 -6.579 -5.162 128 H SER 601 H SER 601 7.227 -10.780 -0.516 129 HA SER 601 HA SER 601 4.673 -10.022 -1.658 130 HB2 SER 601 HB2 SER 601 4.062 -12.388 -1.218 131 HB3 SER 601 HB3 SER 601 5.596 -12.270 -2.073 132 HG SER 601 HG SER 601 5.222 -12.745 0.700 133 H HIS 602 H HIS 602 6.064 -10.558 1.534 134 HA HIS 602 HA HIS 602 3.541 -10.367 2.939 135 HB2 HIS 602 HB2 HIS 602 6.419 -10.505 3.858 136 HB3 HIS 602 HB3 HIS 602 5.073 -10.338 4.976 137 HD1 HIS 602 HD1 HIS 602 3.187 -12.380 4.615 138 HD2 HIS 602 HD2 HIS 602 7.112 -13.085 3.441 139 HE1 HIS 602 HE1 HIS 602 3.415 -14.881 4.498 140 HE2 HIS 602 HE2 HIS 602 5.774 -15.282 3.705 141 H LEU 603 H LEU 603 5.968 -8.231 1.803 142 HA LEU 603 HA LEU 603 5.440 -5.950 3.474 143 HB2 LEU 603 HB2 LEU 603 6.932 -6.546 0.953 144 HB3 LEU 603 HB3 LEU 603 6.547 -4.876 1.275 145 HG LEU 603 HG LEU 603 8.296 -6.692 2.968 146 HD11 LEU 603 HD11 LEU 603 8.954 -4.389 1.180 147 HD12 LEU 603 HD12 LEU 603 9.497 -6.064 1.062 148 HD13 LEU 603 HD13 LEU 603 10.058 -5.045 2.391 149 HD21 LEU 603 HD21 LEU 603 7.609 -3.803 3.456 150 HD22 LEU 603 HD22 LEU 603 8.909 -4.684 4.246 151 HD23 LEU 603 HD23 LEU 603 7.237 -5.184 4.489 152 H VAL 604 H VAL 604 4.245 -7.207 0.435 153 HA VAL 604 HA VAL 604 2.526 -4.974 -0.185 154 HB VAL 604 HB VAL 604 2.876 -7.736 -1.403 155 HG11 VAL 604 HG11 VAL 604 1.289 -7.355 -2.943 156 HG12 VAL 604 HG12 VAL 604 1.722 -5.657 -3.100 157 HG13 VAL 604 HG13 VAL 604 0.660 -6.181 -1.787 158 HG21 VAL 604 HG21 VAL 604 3.713 -5.102 -2.571 159 HG22 VAL 604 HG22 VAL 604 4.259 -6.736 -2.999 160 HG23 VAL 604 HG23 VAL 604 4.760 -6.007 -1.465 161 H HIS 605 H HIS 605 2.271 -8.179 1.289 162 HA HIS 605 HA HIS 605 -0.581 -8.150 1.601 163 HB2 HIS 605 HB2 HIS 605 1.663 -9.895 2.443 164 HB3 HIS 605 HB3 HIS 605 0.255 -9.908 3.495 165 HD1 HIS 605 HD1 HIS 605 -1.771 -11.200 2.712 166 HD2 HIS 605 HD2 HIS 605 1.145 -10.837 -0.229 167 HE1 HIS 605 HE1 HIS 605 -2.491 -12.738 0.856 168 HE2 HIS 605 HE2 HIS 605 -0.739 -12.468 -0.932 169 H LYS 606 H LYS 606 2.036 -6.660 3.172 170 HA LYS 606 HA LYS 606 0.718 -6.110 5.708 171 HB2 LYS 606 HB2 LYS 606 3.172 -6.369 5.568 172 HB3 LYS 606 HB3 LYS 606 3.252 -5.037 4.430 173 HG2 LYS 606 HG2 LYS 606 2.539 -3.483 6.160 174 HG3 LYS 606 HG3 LYS 606 2.387 -4.814 7.311 175 HD2 LYS 606 HD2 LYS 606 4.786 -5.292 7.018 176 HD3 LYS 606 HD3 LYS 606 4.917 -3.916 5.934 177 HE2 LYS 606 HE2 LYS 606 4.213 -2.447 7.723 178 HE3 LYS 606 HE3 LYS 606 4.072 -3.809 8.820 179 HZ1 LYS 606 HZ1 LYS 606 6.157 -2.636 9.137 180 HZ2 LYS 606 HZ2 LYS 606 6.574 -2.879 7.515 181 HZ3 LYS 606 HZ3 LYS 606 6.446 -4.202 8.562 182 H LEU 607 H LEU 607 1.045 -4.839 2.560 183 HA LEU 607 HA LEU 607 0.287 -2.118 3.156 184 HB2 LEU 607 HB2 LEU 607 1.365 -3.679 0.932 185 HB3 LEU 607 HB3 LEU 607 0.295 -2.384 0.435 186 HG LEU 607 HG LEU 607 2.568 -1.812 2.322 187 HD11 LEU 607 HD11 LEU 607 2.808 -1.745 -0.667 188 HD12 LEU 607 HD12 LEU 607 3.380 -3.096 0.313 189 HD13 LEU 607 HD13 LEU 607 4.075 -1.489 0.532 190 HD21 LEU 607 HD21 LEU 607 1.274 -0.155 0.153 191 HD22 LEU 607 HD22 LEU 607 2.477 0.390 1.322 192 HD23 LEU 607 HD23 LEU 607 0.862 -0.068 1.867 193 H VAL 608 H VAL 608 -1.115 -4.988 1.633 194 HA VAL 608 HA VAL 608 -3.521 -3.706 0.750 195 HB VAL 608 HB VAL 608 -2.435 -5.841 -0.219 196 HG11 VAL 608 HG11 VAL 608 -2.259 -7.132 1.845 197 HG12 VAL 608 HG12 VAL 608 -3.259 -7.975 0.659 198 HG13 VAL 608 HG13 VAL 608 -4.015 -7.129 2.009 199 HG21 VAL 608 HG21 VAL 608 -5.407 -5.917 0.314 200 HG22 VAL 608 HG22 VAL 608 -4.552 -6.689 -1.020 201 HG23 VAL 608 HG23 VAL 608 -4.625 -4.931 -0.922 202 H GLN 609 H GLN 609 -2.511 -5.115 3.765 203 HA GLN 609 HA GLN 609 -5.181 -5.597 4.717 204 HB2 GLN 609 HB2 GLN 609 -2.515 -5.856 6.073 205 HB3 GLN 609 HB3 GLN 609 -4.033 -6.109 6.919 206 HG2 GLN 609 HG2 GLN 609 -2.977 -7.700 4.587 207 HG3 GLN 609 HG3 GLN 609 -3.090 -8.188 6.274 208 HE21 GLN 609 HE21 GLN 609 -4.324 -9.157 3.605 209 HE22 GLN 609 HE22 GLN 609 -5.994 -9.356 3.995 210 H ALA 610 H ALA 610 -2.843 -3.057 4.891 211 HA ALA 610 HA ALA 610 -4.176 -1.562 6.962 212 HB1 ALA 610 HB1 ALA 610 -2.021 -0.794 5.006 213 HB2 ALA 610 HB2 ALA 610 -1.787 -1.357 6.662 214 HB3 ALA 610 HB3 ALA 610 -2.565 0.201 6.360 215 H ILE 611 H ILE 611 -4.154 -1.611 3.437 216 HA ILE 611 HA ILE 611 -5.692 0.804 3.138 217 HB ILE 611 HB ILE 611 -4.984 -1.349 1.112 218 HG12 ILE 611 HG12 ILE 611 -3.935 1.468 1.356 219 HG13 ILE 611 HG13 ILE 611 -3.143 0.095 2.088 220 HG21 ILE 611 HG21 ILE 611 -6.347 1.311 0.707 221 HG22 ILE 611 HG22 ILE 611 -7.015 -0.283 0.363 222 HG23 ILE 611 HG23 ILE 611 -5.668 0.337 -0.593 223 HD11 ILE 611 HD11 ILE 611 -2.903 -0.885 -0.207 224 HD12 ILE 611 HD12 ILE 611 -1.998 0.602 0.064 225 HD13 ILE 611 HD13 ILE 611 -3.508 0.647 -0.845 226 H PHE 612 H PHE 612 -6.413 -2.687 2.682 227 HA PHE 612 HA PHE 612 -9.088 -2.180 3.730 228 HB2 PHE 612 HB2 PHE 612 -9.261 -2.219 1.241 229 HB3 PHE 612 HB3 PHE 612 -8.585 -3.841 1.241 230 HD1 PHE 612 HD1 PHE 612 -11.477 -1.803 2.222 231 HD2 PHE 612 HD2 PHE 612 -9.949 -5.733 1.702 232 HE1 PHE 612 HE1 PHE 612 -13.757 -2.712 2.459 233 HE2 PHE 612 HE2 PHE 612 -12.220 -6.657 1.932 234 HZ PHE 612 HZ PHE 612 -14.130 -5.143 2.311 235 HA PRO 613 HA PRO 613 -7.642 -5.836 6.120 236 HB2 PRO 613 HB2 PRO 613 -10.311 -5.392 7.365 237 HB3 PRO 613 HB3 PRO 613 -8.757 -5.693 8.139 238 HG2 PRO 613 HG2 PRO 613 -9.696 -3.305 8.170 239 HG3 PRO 613 HG3 PRO 613 -8.119 -3.491 7.788 240 HD2 PRO 613 HD2 PRO 613 -10.333 -3.117 5.826 241 HD3 PRO 613 HD3 PRO 613 -8.922 -2.293 5.826 242 H THR 614 H THR 614 -8.101 -7.993 5.867 243 HA THR 614 HA THR 614 -10.102 -8.625 3.869 244 HB THR 614 HB THR 614 -8.031 -10.455 5.037 245 HG1 THR 614 HG1 THR 614 -7.961 -8.669 2.856 246 HG21 THR 614 HG21 THR 614 -9.791 -10.707 2.606 247 HG22 THR 614 HG22 THR 614 -9.849 -11.686 4.075 248 HG23 THR 614 HG23 THR 614 -8.455 -11.791 2.998 249 HA PRO 615 HA PRO 615 -12.982 -10.405 6.959 250 HB2 PRO 615 HB2 PRO 615 -14.324 -10.772 4.326 251 HB3 PRO 615 HB3 PRO 615 -15.012 -10.285 5.860 252 HG2 PRO 615 HG2 PRO 615 -14.620 -8.454 4.133 253 HG3 PRO 615 HG3 PRO 615 -14.072 -8.152 5.642 254 HD2 PRO 615 HD2 PRO 615 -12.410 -9.164 3.382 255 HD3 PRO 615 HD3 PRO 615 -12.025 -7.899 4.340 256 H ASP 616 H ASP 616 -12.541 -11.680 3.691 257 HA ASP 616 HA ASP 616 -12.110 -14.391 4.787 258 HB2 ASP 616 HB2 ASP 616 -14.356 -13.965 3.635 259 HB3 ASP 616 HB3 ASP 616 -13.456 -13.878 2.138 260 HA PRO 617 HA PRO 617 -8.244 -14.569 2.496 261 HB2 PRO 617 HB2 PRO 617 -8.974 -17.442 2.221 262 HB3 PRO 617 HB3 PRO 617 -7.498 -16.716 2.865 263 HG2 PRO 617 HG2 PRO 617 -9.295 -17.719 4.492 264 HG3 PRO 617 HG3 PRO 617 -8.500 -16.353 4.905 265 HD2 PRO 617 HD2 PRO 617 -11.153 -16.632 3.995 266 HD3 PRO 617 HD3 PRO 617 -10.566 -15.610 5.126 267 H ALA 618 H ALA 618 -11.324 -15.432 1.224 268 HA ALA 618 HA ALA 618 -10.410 -16.112 -1.435 269 HB1 ALA 618 HB1 ALA 618 -13.213 -15.563 -0.469 270 HB2 ALA 618 HB2 ALA 618 -12.426 -17.142 -0.470 271 HB3 ALA 618 HB3 ALA 618 -12.754 -16.320 -1.995 272 H ALA 619 H ALA 619 -11.286 -13.216 0.255 273 HA ALA 619 HA ALA 619 -11.993 -11.558 -1.928 274 HB1 ALA 619 HB1 ALA 619 -10.638 -10.725 0.629 275 HB2 ALA 619 HB2 ALA 619 -12.375 -10.981 0.445 276 HB3 ALA 619 HB3 ALA 619 -11.571 -9.695 -0.458 277 H LEU 620 H LEU 620 -8.950 -12.861 -1.013 278 HA LEU 620 HA LEU 620 -7.310 -10.792 -2.124 279 HB2 LEU 620 HB2 LEU 620 -6.669 -13.605 -1.240 280 HB3 LEU 620 HB3 LEU 620 -5.474 -12.443 -1.758 281 HG LEU 620 HG LEU 620 -7.263 -12.095 0.653 282 HD11 LEU 620 HD11 LEU 620 -4.367 -12.917 0.474 283 HD12 LEU 620 HD12 LEU 620 -5.714 -13.941 0.974 284 HD13 LEU 620 HD13 LEU 620 -5.245 -12.558 1.962 285 HD21 LEU 620 HD21 LEU 620 -5.656 -10.298 1.238 286 HD22 LEU 620 HD22 LEU 620 -6.556 -9.956 -0.238 287 HD23 LEU 620 HD23 LEU 620 -4.886 -10.509 -0.333 288 H LYS 621 H LYS 621 -9.101 -13.314 -3.478 289 HA LYS 621 HA LYS 621 -7.370 -13.512 -5.848 290 HB2 LYS 621 HB2 LYS 621 -9.598 -15.308 -4.864 291 HB3 LYS 621 HB3 LYS 621 -8.773 -15.526 -6.394 292 HG2 LYS 621 HG2 LYS 621 -6.668 -15.927 -5.204 293 HG3 LYS 621 HG3 LYS 621 -7.490 -15.714 -3.665 294 HD2 LYS 621 HD2 LYS 621 -8.927 -17.657 -4.199 295 HD3 LYS 621 HD3 LYS 621 -8.024 -17.870 -5.696 296 HE2 LYS 621 HE2 LYS 621 -6.003 -18.217 -4.472 297 HE3 LYS 621 HE3 LYS 621 -6.828 -17.937 -2.944 298 HZ1 LYS 621 HZ1 LYS 621 -8.195 -19.893 -3.383 299 HZ2 LYS 621 HZ2 LYS 621 -6.552 -20.294 -3.350 300 HZ3 LYS 621 HZ3 LYS 621 -7.363 -20.172 -4.829 301 H ASP 622 H ASP 622 -9.472 -11.425 -4.953 302 HA ASP 622 HA ASP 622 -11.511 -11.599 -7.011 303 HB2 ASP 622 HB2 ASP 622 -11.815 -10.780 -4.578 304 HB3 ASP 622 HB3 ASP 622 -11.073 -9.281 -5.130 305 H ARG 623 H ARG 623 -11.966 -9.651 -8.387 306 HA ARG 623 HA ARG 623 -9.611 -8.978 -9.880 307 HB2 ARG 623 HB2 ARG 623 -12.541 -8.327 -10.213 308 HB3 ARG 623 HB3 ARG 623 -11.319 -7.704 -11.307 309 HG2 ARG 623 HG2 ARG 623 -11.219 -10.612 -10.942 310 HG3 ARG 623 HG3 ARG 623 -12.732 -10.016 -11.625 311 HD2 ARG 623 HD2 ARG 623 -11.357 -10.477 -13.477 312 HD3 ARG 623 HD3 ARG 623 -11.291 -8.725 -13.289 313 HE ARG 623 HE ARG 623 -9.161 -10.141 -11.956 314 HH11 ARG 623 HH11 ARG 623 -10.132 -8.650 -14.986 315 HH12 ARG 623 HH12 ARG 623 -8.501 -8.414 -15.522 316 HH21 ARG 623 HH21 ARG 623 -7.038 -9.820 -12.679 317 HH22 ARG 623 HH22 ARG 623 -6.753 -9.077 -14.219 318 H ARG 624 H ARG 624 -12.057 -7.008 -8.167 319 HA ARG 624 HA ARG 624 -10.847 -4.507 -8.532 320 HB2 ARG 624 HB2 ARG 624 -12.711 -5.463 -6.357 321 HB3 ARG 624 HB3 ARG 624 -12.227 -3.788 -6.550 322 HG2 ARG 624 HG2 ARG 624 -13.724 -5.416 -8.603 323 HG3 ARG 624 HG3 ARG 624 -14.449 -4.257 -7.494 324 HD2 ARG 624 HD2 ARG 624 -12.256 -3.453 -9.382 325 HD3 ARG 624 HD3 ARG 624 -13.941 -3.497 -9.901 326 HE ARG 624 HE ARG 624 -12.878 -1.775 -7.756 327 HH11 ARG 624 HH11 ARG 624 -15.293 -2.406 -10.230 328 HH12 ARG 624 HH12 ARG 624 -16.082 -0.880 -10.010 329 HH21 ARG 624 HH21 ARG 624 -13.927 0.214 -7.487 330 HH22 ARG 624 HH22 ARG 624 -15.308 0.601 -8.457 331 H MET 625 H MET 625 -10.207 -6.985 -6.136 332 HA MET 625 HA MET 625 -8.686 -5.352 -4.350 333 HB2 MET 625 HB2 MET 625 -9.774 -7.459 -3.651 334 HB3 MET 625 HB3 MET 625 -8.719 -8.356 -4.727 335 HG2 MET 625 HG2 MET 625 -7.951 -8.612 -2.471 336 HG3 MET 625 HG3 MET 625 -6.780 -7.656 -3.368 337 HE1 MET 625 HE1 MET 625 -10.048 -7.274 -1.357 338 HE2 MET 625 HE2 MET 625 -9.678 -6.014 -0.183 339 HE3 MET 625 HE3 MET 625 -8.992 -7.620 0.014 340 H GLU 626 H GLU 626 -7.884 -7.496 -7.044 341 HA GLU 626 HA GLU 626 -5.101 -7.410 -6.808 342 HB2 GLU 626 HB2 GLU 626 -6.335 -9.090 -8.130 343 HB3 GLU 626 HB3 GLU 626 -6.694 -7.852 -9.326 344 HG2 GLU 626 HG2 GLU 626 -4.327 -7.586 -9.796 345 HG3 GLU 626 HG3 GLU 626 -3.933 -8.776 -8.555 346 H ASN 627 H ASN 627 -7.277 -5.023 -7.959 347 HA ASN 627 HA ASN 627 -5.610 -3.706 -9.845 348 HB2 ASN 627 HB2 ASN 627 -8.031 -2.766 -8.302 349 HB3 ASN 627 HB3 ASN 627 -7.214 -1.775 -9.503 350 HD21 ASN 627 HD21 ASN 627 -6.633 -4.364 -10.992 351 HD22 ASN 627 HD22 ASN 627 -8.099 -4.688 -11.848 352 H LEU 628 H LEU 628 -6.169 -3.131 -6.356 353 HA LEU 628 HA LEU 628 -4.205 -0.997 -6.379 354 HB2 LEU 628 HB2 LEU 628 -5.876 -2.090 -4.129 355 HB3 LEU 628 HB3 LEU 628 -4.671 -0.848 -3.911 356 HG LEU 628 HG LEU 628 -7.168 -0.557 -5.598 357 HD11 LEU 628 HD11 LEU 628 -8.033 0.797 -3.828 358 HD12 LEU 628 HD12 LEU 628 -6.507 0.698 -2.941 359 HD13 LEU 628 HD13 LEU 628 -7.516 -0.741 -3.116 360 HD21 LEU 628 HD21 LEU 628 -5.415 0.834 -6.444 361 HD22 LEU 628 HD22 LEU 628 -4.982 1.348 -4.810 362 HD23 LEU 628 HD23 LEU 628 -6.522 1.848 -5.512 363 H VAL 629 H VAL 629 -4.348 -4.373 -5.649 364 HA VAL 629 HA VAL 629 -1.898 -4.823 -4.386 365 HB VAL 629 HB VAL 629 -3.570 -6.355 -6.335 366 HG11 VAL 629 HG11 VAL 629 -2.000 -8.258 -6.367 367 HG12 VAL 629 HG12 VAL 629 -0.770 -7.226 -5.625 368 HG13 VAL 629 HG13 VAL 629 -1.394 -6.842 -7.237 369 HG21 VAL 629 HG21 VAL 629 -3.573 -8.028 -4.547 370 HG22 VAL 629 HG22 VAL 629 -4.068 -6.442 -3.952 371 HG23 VAL 629 HG23 VAL 629 -2.441 -7.039 -3.627 372 H ALA 630 H ALA 630 -2.689 -3.926 -7.655 373 HA ALA 630 HA ALA 630 -0.052 -4.155 -8.735 374 HB1 ALA 630 HB1 ALA 630 -2.564 -2.851 -9.770 375 HB2 ALA 630 HB2 ALA 630 -1.982 -4.479 -10.132 376 HB3 ALA 630 HB3 ALA 630 -1.083 -3.071 -10.707 377 H TYR 631 H TYR 631 -1.825 -1.724 -7.010 378 HA TYR 631 HA TYR 631 -0.009 0.433 -7.552 379 HB2 TYR 631 HB2 TYR 631 -2.267 0.997 -6.798 380 HB3 TYR 631 HB3 TYR 631 -2.072 0.031 -5.345 381 HD1 TYR 631 HD1 TYR 631 -0.180 2.825 -7.007 382 HD2 TYR 631 HD2 TYR 631 -1.892 1.289 -3.409 383 HE1 TYR 631 HE1 TYR 631 0.475 4.872 -5.808 384 HE2 TYR 631 HE2 TYR 631 -1.223 3.329 -2.213 385 HH TYR 631 HH TYR 631 0.427 5.137 -2.432 386 H ALA 632 H ALA 632 -0.296 -2.080 -5.072 387 HA ALA 632 HA ALA 632 1.860 -0.968 -3.489 388 HB1 ALA 632 HB1 ALA 632 0.193 -1.839 -2.140 389 HB2 ALA 632 HB2 ALA 632 1.445 -3.093 -2.114 390 HB3 ALA 632 HB3 ALA 632 0.012 -3.287 -3.132 391 H LYS 633 H LYS 633 1.457 -3.466 -5.889 392 HA LYS 633 HA LYS 633 3.846 -4.910 -5.442 393 HB2 LYS 633 HB2 LYS 633 1.950 -4.591 -7.714 394 HB3 LYS 633 HB3 LYS 633 3.532 -5.265 -8.066 395 HG2 LYS 633 HG2 LYS 633 3.163 -7.126 -6.653 396 HG3 LYS 633 HG3 LYS 633 1.737 -6.384 -5.926 397 HD2 LYS 633 HD2 LYS 633 0.395 -6.932 -7.684 398 HD3 LYS 633 HD3 LYS 633 1.686 -6.772 -8.852 399 HE2 LYS 633 HE2 LYS 633 2.628 -8.916 -8.086 400 HE3 LYS 633 HE3 LYS 633 1.304 -9.069 -6.933 401 HZ1 LYS 633 HZ1 LYS 633 0.890 -10.369 -8.921 402 HZ2 LYS 633 HZ2 LYS 633 1.026 -8.991 -9.892 403 HZ3 LYS 633 HZ3 LYS 633 -0.251 -9.126 -8.789 404 H LYS 634 H LYS 634 3.173 -1.840 -6.824 405 HA LYS 634 HA LYS 634 5.550 -1.639 -8.462 406 HB2 LYS 634 HB2 LYS 634 3.360 -0.720 -9.180 407 HB3 LYS 634 HB3 LYS 634 3.400 0.396 -7.827 408 HG2 LYS 634 HG2 LYS 634 5.408 1.457 -8.785 409 HG3 LYS 634 HG3 LYS 634 5.313 0.360 -10.165 410 HD2 LYS 634 HD2 LYS 634 3.039 1.282 -10.649 411 HD3 LYS 634 HD3 LYS 634 3.289 2.457 -9.360 412 HE2 LYS 634 HE2 LYS 634 5.036 2.177 -11.811 413 HE3 LYS 634 HE3 LYS 634 3.754 3.370 -11.618 414 HZ1 LYS 634 HZ1 LYS 634 5.910 4.314 -11.107 415 HZ2 LYS 634 HZ2 LYS 634 6.178 3.142 -9.917 416 HZ3 LYS 634 HZ3 LYS 634 4.944 4.281 -9.718 417 H VAL 635 H VAL 635 4.455 -0.469 -5.302 418 HA VAL 635 HA VAL 635 6.227 1.753 -5.244 419 HB VAL 635 HB VAL 635 4.573 0.532 -3.048 420 HG11 VAL 635 HG11 VAL 635 6.379 2.929 -2.888 421 HG12 VAL 635 HG12 VAL 635 6.501 1.429 -1.968 422 HG13 VAL 635 HG13 VAL 635 5.142 2.525 -1.696 423 HG21 VAL 635 HG21 VAL 635 3.254 1.732 -4.689 424 HG22 VAL 635 HG22 VAL 635 4.293 3.150 -4.538 425 HG23 VAL 635 HG23 VAL 635 3.294 2.636 -3.174 426 H GLU 636 H GLU 636 6.544 -1.538 -4.010 427 HA GLU 636 HA GLU 636 8.562 -1.271 -2.115 428 HB2 GLU 636 HB2 GLU 636 7.399 -3.409 -2.684 429 HB3 GLU 636 HB3 GLU 636 8.353 -3.513 -4.151 430 HG2 GLU 636 HG2 GLU 636 9.771 -3.339 -1.532 431 HG3 GLU 636 HG3 GLU 636 9.007 -4.857 -2.007 432 H GLY 637 H GLY 637 8.871 -1.389 -5.651 433 HA2 GLY 637 HA2 GLY 637 11.717 -1.607 -5.739 434 HA3 GLY 637 HA3 GLY 637 10.665 -1.177 -7.078 435 H ASP 638 H ASP 638 9.588 1.076 -5.304 436 HA ASP 638 HA ASP 638 11.524 3.087 -6.060 437 HB2 ASP 638 HB2 ASP 638 8.798 3.210 -4.759 438 HB3 ASP 638 HB3 ASP 638 9.790 4.643 -4.998 439 H MET 639 H MET 639 10.745 1.247 -3.245 440 HA MET 639 HA MET 639 12.088 2.988 -1.371 441 HB2 MET 639 HB2 MET 639 11.088 0.146 -1.098 442 HB3 MET 639 HB3 MET 639 11.854 1.056 0.207 443 HG2 MET 639 HG2 MET 639 10.003 2.204 0.628 444 HG3 MET 639 HG3 MET 639 9.650 2.457 -1.065 445 HE1 MET 639 HE1 MET 639 9.776 -0.585 1.506 446 HE2 MET 639 HE2 MET 639 10.428 -1.026 -0.074 447 HE3 MET 639 HE3 MET 639 8.915 -1.747 0.486 448 H TYR 640 H TYR 640 12.958 0.473 -3.551 449 HA TYR 640 HA TYR 640 15.301 -0.460 -2.178 450 HB2 TYR 640 HB2 TYR 640 14.096 -1.973 -3.631 451 HB3 TYR 640 HB3 TYR 640 14.273 -0.871 -4.998 452 HD1 TYR 640 HD1 TYR 640 15.811 -3.509 -3.046 453 HD2 TYR 640 HD2 TYR 640 16.517 -0.597 -6.070 454 HE1 TYR 640 HE1 TYR 640 17.849 -4.708 -3.714 455 HE2 TYR 640 HE2 TYR 640 18.561 -1.791 -6.743 456 HH TYR 640 HH TYR 640 19.279 -4.937 -5.696 457 H GLU 641 H GLU 641 14.596 1.933 -4.638 458 HA GLU 641 HA GLU 641 17.402 2.449 -5.209 459 HB2 GLU 641 HB2 GLU 641 14.853 3.691 -6.259 460 HB3 GLU 641 HB3 GLU 641 16.450 4.232 -6.723 461 HG2 GLU 641 HG2 GLU 641 15.354 1.489 -7.190 462 HG3 GLU 641 HG3 GLU 641 15.441 2.766 -8.393 463 H SER 642 H SER 642 14.890 3.704 -3.175 464 HA SER 642 HA SER 642 16.196 6.300 -2.865 465 HB2 SER 642 HB2 SER 642 14.167 6.990 -1.697 466 HB3 SER 642 HB3 SER 642 13.755 6.237 -3.240 467 HG SER 642 HG SER 642 13.713 4.940 -0.714 468 H ALA 643 H ALA 643 15.357 3.449 -0.920 469 HA ALA 643 HA ALA 643 16.406 4.686 1.500 470 HB1 ALA 643 HB1 ALA 643 14.343 3.406 1.656 471 HB2 ALA 643 HB2 ALA 643 15.611 2.680 2.643 472 HB3 ALA 643 HB3 ALA 643 15.182 1.963 1.089 473 H ASN 644 H ASN 644 18.159 3.959 2.674 474 HA ASN 644 HA ASN 644 19.994 2.124 1.277 475 HB2 ASN 644 HB2 ASN 644 20.695 4.505 3.015 476 HB3 ASN 644 HB3 ASN 644 21.865 3.376 2.346 477 HD21 ASN 644 HD21 ASN 644 20.133 6.221 1.853 478 HD22 ASN 644 HD22 ASN 644 20.545 6.484 0.195 479 H SER 645 H SER 645 18.053 2.382 3.956 480 HA SER 645 HA SER 645 19.636 0.401 5.449 481 HB2 SER 645 HB2 SER 645 19.101 1.452 7.558 482 HB3 SER 645 HB3 SER 645 19.803 2.679 6.504 483 HG SER 645 HG SER 645 17.931 3.687 6.403 484 H ARG 646 H ARG 646 18.304 -0.845 7.023 485 HA ARG 646 HA ARG 646 15.937 -1.860 5.787 486 HB2 ARG 646 HB2 ARG 646 17.463 -3.350 6.964 487 HB3 ARG 646 HB3 ARG 646 17.242 -2.462 8.456 488 HG2 ARG 646 HG2 ARG 646 14.853 -3.202 8.463 489 HG3 ARG 646 HG3 ARG 646 15.214 -4.206 7.061 490 HD2 ARG 646 HD2 ARG 646 16.790 -5.512 8.347 491 HD3 ARG 646 HD3 ARG 646 16.595 -4.443 9.737 492 HE ARG 646 HE ARG 646 14.789 -6.526 8.862 493 HH11 ARG 646 HH11 ARG 646 15.125 -3.667 10.875 494 HH12 ARG 646 HH12 ARG 646 13.800 -4.098 11.904 495 HH21 ARG 646 HH21 ARG 646 13.063 -7.068 10.219 496 HH22 ARG 646 HH22 ARG 646 12.635 -6.023 11.532 497 H ASP 647 H ASP 647 16.559 0.442 8.337 498 HA ASP 647 HA ASP 647 13.881 0.369 9.416 499 HB2 ASP 647 HB2 ASP 647 16.295 2.110 9.946 500 HB3 ASP 647 HB3 ASP 647 14.742 2.406 10.715 501 H GLU 648 H GLU 648 15.576 2.180 6.963 502 HA GLU 648 HA GLU 648 13.521 4.226 6.764 503 HB2 GLU 648 HB2 GLU 648 16.016 3.671 5.137 504 HB3 GLU 648 HB3 GLU 648 14.904 4.978 4.775 505 HG2 GLU 648 HG2 GLU 648 15.374 5.986 6.956 506 HG3 GLU 648 HG3 GLU 648 16.487 4.674 7.328 507 H TYR 649 H TYR 649 14.703 1.477 4.851 508 HA TYR 649 HA TYR 649 12.985 1.550 2.685 509 HB2 TYR 649 HB2 TYR 649 14.899 0.066 2.784 510 HB3 TYR 649 HB3 TYR 649 14.226 -0.795 4.155 511 HD1 TYR 649 HD1 TYR 649 13.908 -0.198 0.543 512 HD2 TYR 649 HD2 TYR 649 12.712 -2.636 3.816 513 HE1 TYR 649 HE1 TYR 649 12.962 -1.807 -1.021 514 HE2 TYR 649 HE2 TYR 649 11.750 -4.271 2.246 515 HH TYR 649 HH TYR 649 10.886 -4.319 -0.065 516 H TYR 650 H TYR 650 12.472 -0.342 5.681 517 HA TYR 650 HA TYR 650 9.800 -1.046 5.145 518 HB2 TYR 650 HB2 TYR 650 11.440 -0.993 7.678 519 HB3 TYR 650 HB3 TYR 650 9.769 -1.540 7.655 520 HD1 TYR 650 HD1 TYR 650 12.236 -3.190 8.433 521 HD2 TYR 650 HD2 TYR 650 10.109 -2.781 4.764 522 HE1 TYR 650 HE1 TYR 650 13.008 -5.405 7.747 523 HE2 TYR 650 HE2 TYR 650 10.863 -5.018 4.078 524 HH TYR 650 HH TYR 650 12.302 -7.215 6.221 525 H HIS 651 H HIS 651 11.074 1.963 6.202 526 HA HIS 651 HA HIS 651 8.705 2.818 7.654 527 HB2 HIS 651 HB2 HIS 651 10.932 3.587 8.375 528 HB3 HIS 651 HB3 HIS 651 11.176 4.358 6.816 529 HD1 HIS 651 HD1 HIS 651 10.579 6.760 6.706 530 HD2 HIS 651 HD2 HIS 651 8.663 4.838 9.854 531 HE1 HIS 651 HE1 HIS 651 9.387 8.574 7.975 532 HE2 HIS 651 HE2 HIS 651 8.183 7.381 9.839 533 H LEU 652 H LEU 652 10.160 3.381 4.491 534 HA LEU 652 HA LEU 652 8.435 5.399 3.582 535 HB2 LEU 652 HB2 LEU 652 10.092 3.363 2.183 536 HB3 LEU 652 HB3 LEU 652 9.192 4.579 1.322 537 HG LEU 652 HG LEU 652 11.370 5.202 3.315 538 HD11 LEU 652 HD11 LEU 652 12.363 4.113 1.371 539 HD12 LEU 652 HD12 LEU 652 12.760 5.831 1.410 540 HD13 LEU 652 HD13 LEU 652 11.519 5.238 0.306 541 HD21 LEU 652 HD21 LEU 652 9.849 6.988 3.175 542 HD22 LEU 652 HD22 LEU 652 9.723 6.831 1.424 543 HD23 LEU 652 HD23 LEU 652 11.218 7.430 2.148 544 H LEU 653 H LEU 653 8.258 1.875 3.336 545 HA LEU 653 HA LEU 653 5.754 1.775 1.965 546 HB2 LEU 653 HB2 LEU 653 7.208 -0.135 1.899 547 HB3 LEU 653 HB3 LEU 653 7.210 -0.258 3.641 548 HG LEU 653 HG LEU 653 4.576 -0.562 2.310 549 HD11 LEU 653 HD11 LEU 653 6.729 -2.639 2.158 550 HD12 LEU 653 HD12 LEU 653 6.002 -1.785 0.800 551 HD13 LEU 653 HD13 LEU 653 5.027 -2.888 1.772 552 HD21 LEU 653 HD21 LEU 653 4.125 -2.059 4.026 553 HD22 LEU 653 HD22 LEU 653 5.045 -0.769 4.798 554 HD23 LEU 653 HD23 LEU 653 5.834 -2.296 4.398 555 H ALA 654 H ALA 654 6.633 2.135 5.322 556 HA ALA 654 HA ALA 654 4.034 1.413 6.378 557 HB1 ALA 654 HB1 ALA 654 6.342 2.745 7.788 558 HB2 ALA 654 HB2 ALA 654 6.124 1.002 7.629 559 HB3 ALA 654 HB3 ALA 654 4.949 1.957 8.533 560 H GLU 655 H GLU 655 5.671 4.371 5.416 561 HA GLU 655 HA GLU 655 3.902 6.136 6.791 562 HB2 GLU 655 HB2 GLU 655 6.139 6.886 6.178 563 HB3 GLU 655 HB3 GLU 655 5.762 6.709 4.475 564 HG2 GLU 655 HG2 GLU 655 4.065 8.494 4.708 565 HG3 GLU 655 HG3 GLU 655 4.554 8.702 6.385 566 H LYS 656 H LYS 656 3.876 4.824 3.489 567 HA LYS 656 HA LYS 656 1.566 6.214 2.560 568 HB2 LYS 656 HB2 LYS 656 2.690 3.509 1.835 569 HB3 LYS 656 HB3 LYS 656 1.252 4.149 1.084 570 HG2 LYS 656 HG2 LYS 656 2.651 6.114 0.330 571 HG3 LYS 656 HG3 LYS 656 4.067 5.207 0.874 572 HD2 LYS 656 HD2 LYS 656 3.616 3.451 -0.706 573 HD3 LYS 656 HD3 LYS 656 2.064 4.169 -1.140 574 HE2 LYS 656 HE2 LYS 656 3.596 4.721 -2.872 575 HE3 LYS 656 HE3 LYS 656 3.327 6.188 -1.932 576 HZ1 LYS 656 HZ1 LYS 656 5.409 5.783 -0.773 577 HZ2 LYS 656 HZ2 LYS 656 5.666 5.878 -2.442 578 HZ3 LYS 656 HZ3 LYS 656 5.664 4.371 -1.673 579 H ILE 657 H ILE 657 2.077 3.531 4.689 580 HA ILE 657 HA ILE 657 -0.512 2.359 4.551 581 HB ILE 657 HB ILE 657 1.956 1.997 6.170 582 HG12 ILE 657 HG12 ILE 657 0.062 0.105 4.757 583 HG13 ILE 657 HG13 ILE 657 1.553 0.757 4.104 584 HG21 ILE 657 HG21 ILE 657 -0.530 0.636 7.178 585 HG22 ILE 657 HG22 ILE 657 0.103 2.116 7.900 586 HG23 ILE 657 HG23 ILE 657 1.090 0.648 7.885 587 HD11 ILE 657 HD11 ILE 657 2.847 -0.526 5.709 588 HD12 ILE 657 HD12 ILE 657 1.759 -1.588 4.815 589 HD13 ILE 657 HD13 ILE 657 1.366 -1.110 6.465 590 H TYR 658 H TYR 658 0.975 4.755 6.701 591 HA TYR 658 HA TYR 658 -1.418 5.041 8.305 592 HB2 TYR 658 HB2 TYR 658 1.234 6.475 8.258 593 HB3 TYR 658 HB3 TYR 658 -0.078 6.977 9.303 594 HD1 TYR 658 HD1 TYR 658 2.741 4.812 8.961 595 HD2 TYR 658 HD2 TYR 658 -0.991 5.221 10.971 596 HE1 TYR 658 HE1 TYR 658 3.484 3.199 10.659 597 HE2 TYR 658 HE2 TYR 658 -0.253 3.607 12.674 598 HH TYR 658 HH TYR 658 2.975 2.610 12.987 599 H LYS 659 H LYS 659 0.096 6.531 5.578 600 HA LYS 659 HA LYS 659 -1.344 8.988 5.598 601 HB2 LYS 659 HB2 LYS 659 0.911 8.778 4.695 602 HB3 LYS 659 HB3 LYS 659 0.340 7.661 3.487 603 HG2 LYS 659 HG2 LYS 659 -0.841 9.403 2.337 604 HG3 LYS 659 HG3 LYS 659 -0.508 10.532 3.636 605 HD2 LYS 659 HD2 LYS 659 1.820 10.618 3.062 606 HD3 LYS 659 HD3 LYS 659 1.663 9.238 1.976 607 HE2 LYS 659 HE2 LYS 659 1.843 11.255 0.702 608 HE3 LYS 659 HE3 LYS 659 0.230 10.589 0.503 609 HZ1 LYS 659 HZ1 LYS 659 0.158 12.983 0.814 610 HZ2 LYS 659 HZ2 LYS 659 0.963 12.844 2.294 611 HZ3 LYS 659 HZ3 LYS 659 -0.590 12.199 2.113 612 H ILE 660 H ILE 660 -1.934 5.836 4.154 613 HA ILE 660 HA ILE 660 -4.132 6.777 2.509 614 HB ILE 660 HB ILE 660 -3.115 3.987 3.134 615 HG12 ILE 660 HG12 ILE 660 -3.227 5.464 0.496 616 HG13 ILE 660 HG13 ILE 660 -1.833 5.528 1.566 617 HG21 ILE 660 HG21 ILE 660 -5.477 4.780 1.424 618 HG22 ILE 660 HG22 ILE 660 -5.491 3.753 2.860 619 HG23 ILE 660 HG23 ILE 660 -4.711 3.193 1.381 620 HD11 ILE 660 HD11 ILE 660 -1.653 3.041 1.356 621 HD12 ILE 660 HD12 ILE 660 -1.387 3.934 -0.145 622 HD13 ILE 660 HD13 ILE 660 -2.926 3.119 0.129 623 H GLN 661 H GLN 661 -3.651 5.424 5.676 624 HA GLN 661 HA GLN 661 -6.313 4.871 6.408 625 HB2 GLN 661 HB2 GLN 661 -3.831 5.536 7.957 626 HB3 GLN 661 HB3 GLN 661 -5.368 5.317 8.775 627 HG2 GLN 661 HG2 GLN 661 -5.517 3.050 8.022 628 HG3 GLN 661 HG3 GLN 661 -4.129 3.248 6.970 629 HE21 GLN 661 HE21 GLN 661 -3.650 1.171 8.299 630 HE22 GLN 661 HE22 GLN 661 -2.722 1.405 9.737 631 H LYS 662 H LYS 662 -4.686 7.868 5.942 632 HA LYS 662 HA LYS 662 -6.289 9.529 7.641 633 HB2 LYS 662 HB2 LYS 662 -4.060 10.231 6.905 634 HB3 LYS 662 HB3 LYS 662 -4.614 10.247 5.246 635 HG2 LYS 662 HG2 LYS 662 -4.487 12.491 6.060 636 HG3 LYS 662 HG3 LYS 662 -6.161 12.081 5.778 637 HD2 LYS 662 HD2 LYS 662 -6.508 11.794 8.162 638 HD3 LYS 662 HD3 LYS 662 -4.803 12.092 8.480 639 HE2 LYS 662 HE2 LYS 662 -5.932 14.073 8.973 640 HE3 LYS 662 HE3 LYS 662 -5.117 14.344 7.449 641 HZ1 LYS 662 HZ1 LYS 662 -7.377 15.212 7.406 642 HZ2 LYS 662 HZ2 LYS 662 -7.996 13.677 7.754 643 HZ3 LYS 662 HZ3 LYS 662 -7.196 13.955 6.290 644 H GLU 663 H GLU 663 -6.401 8.688 4.188 645 HA GLU 663 HA GLU 663 -8.424 10.540 3.502 646 HB2 GLU 663 HB2 GLU 663 -7.386 8.115 2.039 647 HB3 GLU 663 HB3 GLU 663 -8.472 9.295 1.360 648 HG2 GLU 663 HG2 GLU 663 -5.714 9.959 2.332 649 HG3 GLU 663 HG3 GLU 663 -6.109 9.532 0.669 650 H LEU 664 H LEU 664 -8.514 7.069 4.224 651 HA LEU 664 HA LEU 664 -11.281 6.664 3.926 652 HB2 LEU 664 HB2 LEU 664 -9.301 5.296 5.750 653 HB3 LEU 664 HB3 LEU 664 -10.966 4.789 5.610 654 HG LEU 664 HG LEU 664 -8.960 4.756 3.345 655 HD11 LEU 664 HD11 LEU 664 -8.402 3.151 5.139 656 HD12 LEU 664 HD12 LEU 664 -8.805 2.389 3.603 657 HD13 LEU 664 HD13 LEU 664 -9.983 2.400 4.914 658 HD21 LEU 664 HD21 LEU 664 -11.668 3.472 3.478 659 HD22 LEU 664 HD22 LEU 664 -10.561 3.484 2.110 660 HD23 LEU 664 HD23 LEU 664 -11.321 4.984 2.645 661 H GLU 665 H GLU 665 -9.532 8.332 6.392 662 HA GLU 665 HA GLU 665 -11.673 8.228 8.352 663 HB2 GLU 665 HB2 GLU 665 -8.953 9.511 8.263 664 HB3 GLU 665 HB3 GLU 665 -10.091 9.906 9.539 665 HG2 GLU 665 HG2 GLU 665 -9.208 7.091 8.942 666 HG3 GLU 665 HG3 GLU 665 -8.364 8.147 10.075 667 H GLU 666 H GLU 666 -10.701 10.230 5.715 668 HA GLU 666 HA GLU 666 -12.035 12.635 6.526 669 HB2 GLU 666 HB2 GLU 666 -10.977 11.682 3.863 670 HB3 GLU 666 HB3 GLU 666 -11.758 13.242 4.072 671 HG2 GLU 666 HG2 GLU 666 -9.256 12.320 5.472 672 HG3 GLU 666 HG3 GLU 666 -9.331 13.435 4.111 673 H LYS 667 H LYS 667 -12.973 9.719 4.877 674 HA LYS 667 HA LYS 667 -15.548 10.750 4.054 675 HB2 LYS 667 HB2 LYS 667 -14.461 7.954 3.909 676 HB3 LYS 667 HB3 LYS 667 -15.969 8.494 3.194 677 HG2 LYS 667 HG2 LYS 667 -13.354 9.752 2.452 678 HG3 LYS 667 HG3 LYS 667 -13.916 8.261 1.713 679 HD2 LYS 667 HD2 LYS 667 -15.967 9.442 0.967 680 HD3 LYS 667 HD3 LYS 667 -15.348 10.923 1.679 681 HE2 LYS 667 HE2 LYS 667 -14.298 9.417 -0.703 682 HE3 LYS 667 HE3 LYS 667 -14.923 11.059 -0.632 683 HZ1 LYS 667 HZ1 LYS 667 -13.000 11.703 0.674 684 HZ2 LYS 667 HZ2 LYS 667 -12.509 11.020 -0.793 685 HZ3 LYS 667 HZ3 LYS 667 -12.406 10.119 0.635 686 H ARG 668 H ARG 668 -14.208 9.411 6.849 687 HA ARG 668 HA ARG 668 -16.578 8.037 7.782 688 HB2 ARG 668 HB2 ARG 668 -13.775 8.416 8.792 689 HB3 ARG 668 HB3 ARG 668 -15.029 7.909 9.913 690 HG2 ARG 668 HG2 ARG 668 -15.466 5.919 8.627 691 HG3 ARG 668 HG3 ARG 668 -14.322 6.433 7.384 692 HD2 ARG 668 HD2 ARG 668 -12.494 6.272 8.928 693 HD3 ARG 668 HD3 ARG 668 -13.586 5.904 10.265 694 HE ARG 668 HE ARG 668 -13.783 4.037 8.096 695 HH11 ARG 668 HH11 ARG 668 -11.944 4.785 10.996 696 HH12 ARG 668 HH12 ARG 668 -11.405 3.153 11.212 697 HH21 ARG 668 HH21 ARG 668 -13.063 1.911 8.400 698 HH22 ARG 668 HH22 ARG 668 -12.038 1.529 9.743 699 H ARG 669 H ARG 669 -14.746 10.966 8.714 700 HA ARG 669 HA ARG 669 -16.692 11.572 10.802 701 HB2 ARG 669 HB2 ARG 669 -14.079 12.894 10.042 702 HB3 ARG 669 HB3 ARG 669 -15.098 13.413 11.372 703 HG2 ARG 669 HG2 ARG 669 -14.758 11.287 12.495 704 HG3 ARG 669 HG3 ARG 669 -13.794 10.709 11.133 705 HD2 ARG 669 HD2 ARG 669 -12.222 12.562 11.507 706 HD3 ARG 669 HD3 ARG 669 -13.140 13.029 12.937 707 HE ARG 669 HE ARG 669 -12.444 10.332 13.186 708 HH11 ARG 669 HH11 ARG 669 -10.826 13.454 13.171 709 HH12 ARG 669 HH12 ARG 669 -9.520 12.908 14.169 710 HH21 ARG 669 HH21 ARG 669 -10.725 9.644 14.490 711 HH22 ARG 669 HH22 ARG 669 -9.465 10.755 14.916 712 H SER 670 H SER 670 -15.355 13.132 7.885 713 HA SER 670 HA SER 670 -17.476 15.156 8.020 714 HB2 SER 670 HB2 SER 670 -16.127 16.503 6.527 715 HB3 SER 670 HB3 SER 670 -15.135 15.949 7.873 716 HG SER 670 HG SER 670 -14.181 14.449 6.533 717 H ARG 671 H ARG 671 -16.750 12.295 6.390 718 HA ARG 671 HA ARG 671 -17.734 11.123 4.723 719 HB2 ARG 671 HB2 ARG 671 -19.776 13.338 4.710 720 HB3 ARG 671 HB3 ARG 671 -19.927 11.826 3.825 721 HG2 ARG 671 HG2 ARG 671 -19.887 10.597 5.946 722 HG3 ARG 671 HG3 ARG 671 -19.744 12.120 6.819 723 HD2 ARG 671 HD2 ARG 671 -21.830 12.856 5.846 724 HD3 ARG 671 HD3 ARG 671 -22.025 11.299 5.046 725 HE ARG 671 HE ARG 671 -22.454 11.898 7.845 726 HH11 ARG 671 HH11 ARG 671 -21.927 9.332 5.503 727 HH12 ARG 671 HH12 ARG 671 -22.625 8.110 6.513 728 HH21 ARG 671 HH21 ARG 671 -23.363 10.282 9.149 729 HH22 ARG 671 HH22 ARG 671 -23.439 8.650 8.574 730 H LEU 672 H LEU 672 -16.172 13.930 4.249 731 HA LEU 672 HA LEU 672 -16.237 13.667 1.316 732 HB2 LEU 672 HB2 LEU 672 -15.621 16.144 2.939 733 HB3 LEU 672 HB3 LEU 672 -15.457 16.027 1.200 734 HG LEU 672 HG LEU 672 -18.066 15.760 2.706 735 HD11 LEU 672 HD11 LEU 672 -17.233 18.040 2.833 736 HD12 LEU 672 HD12 LEU 672 -18.628 17.943 1.759 737 HD13 LEU 672 HD13 LEU 672 -17.004 18.069 1.085 738 HD21 LEU 672 HD21 LEU 672 -17.470 15.897 -0.243 739 HD22 LEU 672 HD22 LEU 672 -19.079 15.926 0.477 740 HD23 LEU 672 HD23 LEU 672 -18.064 14.493 0.644 741 H1 GLY 519 H1 GLY 519 24.881 18.240 -5.527 742 H2 GLY 519 H2 GLY 519 24.416 18.519 -3.925 743 H3 GLY 519 H3 GLY 519 25.323 19.680 -4.755 744 HA2 GLY 519 HA2 GLY 519 23.020 20.366 -4.616 745 HA3 GLY 519 HA3 GLY 519 23.502 20.077 -6.281 746 H SER 520 H SER 520 21.008 19.748 -4.311 747 HA SER 520 HA SER 520 19.083 18.572 -4.234 748 HB2 SER 520 HB2 SER 520 18.950 18.905 -6.636 749 HB3 SER 520 HB3 SER 520 20.001 17.520 -6.924 750 HG SER 520 HG SER 520 17.372 17.537 -6.709 751 HA PRO 521 HA PRO 521 20.596 14.790 -2.281 752 HB2 PRO 521 HB2 PRO 521 18.361 14.255 -0.811 753 HB3 PRO 521 HB3 PRO 521 19.551 15.474 -0.359 754 HG2 PRO 521 HG2 PRO 521 16.964 15.823 -1.641 755 HG3 PRO 521 HG3 PRO 521 17.688 16.767 -0.522 756 HD2 PRO 521 HD2 PRO 521 17.571 17.356 -3.024 757 HD3 PRO 521 HD3 PRO 521 18.718 17.933 -2.014 758 H GLY 522 H GLY 522 17.685 15.016 -4.207 759 HA2 GLY 522 HA2 GLY 522 18.067 12.511 -5.449 760 HA3 GLY 522 HA3 GLY 522 16.835 12.349 -4.210 761 H TYR 523 H TYR 523 15.413 14.628 -4.359 762 HA TYR 523 HA TYR 523 13.653 15.604 -5.392 763 HB2 TYR 523 HB2 TYR 523 15.402 16.783 -6.654 764 HB3 TYR 523 HB3 TYR 523 15.448 15.485 -7.838 765 HD1 TYR 523 HD1 TYR 523 13.332 18.210 -6.476 766 HD2 TYR 523 HD2 TYR 523 13.933 15.460 -9.670 767 HE1 TYR 523 HE1 TYR 523 11.626 19.383 -7.802 768 HE2 TYR 523 HE2 TYR 523 12.230 16.628 -11.003 769 HH TYR 523 HH TYR 523 10.275 18.091 -10.621 770 HA PRO 524 HA PRO 524 11.871 11.589 -6.931 771 HB2 PRO 524 HB2 PRO 524 9.494 11.813 -5.655 772 HB3 PRO 524 HB3 PRO 524 10.937 11.174 -4.860 773 HG2 PRO 524 HG2 PRO 524 9.841 13.900 -4.686 774 HG3 PRO 524 HG3 PRO 524 10.373 12.949 -3.470 775 HD2 PRO 524 HD2 PRO 524 11.982 14.776 -4.466 776 HD3 PRO 524 HD3 PRO 524 12.604 13.345 -3.984 777 H ASN 525 H ASN 525 10.236 11.181 -8.439 778 HA ASN 525 HA ASN 525 9.176 13.555 -9.794 779 HB2 ASN 525 HB2 ASN 525 9.552 10.690 -10.705 780 HB3 ASN 525 HB3 ASN 525 8.720 11.901 -11.668 781 HD21 ASN 525 HD21 ASN 525 11.616 10.379 -11.236 782 HD22 ASN 525 HD22 ASN 525 12.665 11.554 -11.946 783 H GLY 526 H GLY 526 7.064 14.020 -9.844 784 HA2 GLY 526 HA2 GLY 526 4.760 13.120 -10.078 785 HA3 GLY 526 HA3 GLY 526 5.170 12.016 -8.772 786 H LEU 527 H LEU 527 4.002 15.111 -9.614 787 HA LEU 527 HA LEU 527 3.767 15.836 -6.769 788 HB2 LEU 527 HB2 LEU 527 4.261 17.657 -9.139 789 HB3 LEU 527 HB3 LEU 527 3.805 18.228 -7.560 790 HG LEU 527 HG LEU 527 6.362 16.717 -8.073 791 HD11 LEU 527 HD11 LEU 527 6.478 18.736 -9.387 792 HD12 LEU 527 HD12 LEU 527 7.542 18.861 -7.987 793 HD13 LEU 527 HD13 LEU 527 5.993 19.707 -7.995 794 HD21 LEU 527 HD21 LEU 527 5.505 16.728 -5.767 795 HD22 LEU 527 HD22 LEU 527 5.597 18.489 -5.770 796 HD23 LEU 527 HD23 LEU 527 7.065 17.529 -5.939 797 H LEU 528 H LEU 528 1.770 16.231 -6.091 798 HA LEU 528 HA LEU 528 -0.454 16.326 -5.937 799 HB2 LEU 528 HB2 LEU 528 -0.127 17.858 -8.506 800 HB3 LEU 528 HB3 LEU 528 -1.618 17.768 -7.618 801 HG LEU 528 HG LEU 528 0.905 18.935 -6.431 802 HD11 LEU 528 HD11 LEU 528 -1.300 20.320 -7.946 803 HD12 LEU 528 HD12 LEU 528 0.390 20.190 -8.433 804 HD13 LEU 528 HD13 LEU 528 -0.048 21.137 -7.011 805 HD21 LEU 528 HD21 LEU 528 -0.644 20.055 -4.915 806 HD22 LEU 528 HD22 LEU 528 -0.865 18.308 -4.838 807 HD23 LEU 528 HD23 LEU 528 -2.012 19.305 -5.733 808 H SER 529 H SER 529 0.940 14.677 -8.486 809 HA SER 529 HA SER 529 -1.499 13.072 -8.882 810 HB2 SER 529 HB2 SER 529 -0.782 12.666 -11.231 811 HB3 SER 529 HB3 SER 529 -1.128 14.366 -10.917 812 HG SER 529 HG SER 529 1.496 13.407 -10.631 813 H GLY 530 H GLY 530 1.123 12.943 -7.234 814 HA2 GLY 530 HA2 GLY 530 2.282 10.441 -8.221 815 HA3 GLY 530 HA3 GLY 530 2.937 11.457 -6.948 816 H ASP 531 H ASP 531 0.841 11.706 -5.215 817 HA ASP 531 HA ASP 531 0.213 8.933 -4.432 818 HB2 ASP 531 HB2 ASP 531 1.143 11.229 -2.688 819 HB3 ASP 531 HB3 ASP 531 0.453 9.747 -2.040 820 H GLU 532 H GLU 532 -1.034 11.737 -5.474 821 HA GLU 532 HA GLU 532 -3.429 11.724 -3.825 822 HB2 GLU 532 HB2 GLU 532 -2.247 13.709 -5.735 823 HB3 GLU 532 HB3 GLU 532 -3.856 13.879 -5.091 824 HG2 GLU 532 HG2 GLU 532 -2.806 13.793 -2.805 825 HG3 GLU 532 HG3 GLU 532 -1.251 13.938 -3.613 826 H ASP 533 H ASP 533 -2.388 10.335 -6.547 827 HA ASP 533 HA ASP 533 -4.724 10.767 -8.227 828 HB2 ASP 533 HB2 ASP 533 -1.994 10.105 -8.692 829 HB3 ASP 533 HB3 ASP 533 -2.971 8.788 -9.325 830 H PHE 534 H PHE 534 -3.321 8.177 -6.252 831 HA PHE 534 HA PHE 534 -5.329 6.294 -7.169 832 HB2 PHE 534 HB2 PHE 534 -2.858 6.070 -5.536 833 HB3 PHE 534 HB3 PHE 534 -4.123 4.900 -5.214 834 HD1 PHE 534 HD1 PHE 534 -1.784 6.157 -7.777 835 HD2 PHE 534 HD2 PHE 534 -4.549 3.099 -6.704 836 HE1 PHE 534 HE1 PHE 534 -0.990 4.773 -9.654 837 HE2 PHE 534 HE2 PHE 534 -3.770 1.723 -8.563 838 HZ PHE 534 HZ PHE 534 -1.975 2.553 -10.047 839 H SER 535 H SER 535 -5.095 8.654 -4.828 840 HA SER 535 HA SER 535 -6.640 7.566 -2.708 841 HB2 SER 535 HB2 SER 535 -6.794 9.843 -1.889 842 HB3 SER 535 HB3 SER 535 -5.167 9.579 -2.514 843 HG SER 535 HG SER 535 -6.054 11.570 -3.221 844 H SER 536 H SER 536 -7.455 8.835 -5.803 845 HA SER 536 HA SER 536 -10.267 9.224 -5.247 846 HB2 SER 536 HB2 SER 536 -10.431 9.620 -7.694 847 HB3 SER 536 HB3 SER 536 -9.171 10.602 -6.947 848 HG SER 536 HG SER 536 -7.632 9.144 -7.726 849 H ILE 537 H ILE 537 -8.168 6.723 -6.397 850 HA ILE 537 HA ILE 537 -10.318 5.007 -7.305 851 HB ILE 537 HB ILE 537 -7.329 4.583 -7.153 852 HG12 ILE 537 HG12 ILE 537 -9.036 4.702 -9.652 853 HG13 ILE 537 HG13 ILE 537 -8.300 6.130 -8.948 854 HG21 ILE 537 HG21 ILE 537 -9.375 2.636 -8.215 855 HG22 ILE 537 HG22 ILE 537 -8.347 2.428 -6.793 856 HG23 ILE 537 HG23 ILE 537 -7.623 2.483 -8.400 857 HD11 ILE 537 HD11 ILE 537 -6.072 5.120 -9.317 858 HD12 ILE 537 HD12 ILE 537 -6.984 5.344 -10.810 859 HD13 ILE 537 HD13 ILE 537 -6.853 3.739 -10.090 860 H ALA 538 H ALA 538 -8.493 5.517 -4.406 861 HA ALA 538 HA ALA 538 -8.916 2.875 -3.373 862 HB1 ALA 538 HB1 ALA 538 -6.859 4.094 -2.864 863 HB2 ALA 538 HB2 ALA 538 -7.721 3.626 -1.398 864 HB3 ALA 538 HB3 ALA 538 -7.802 5.291 -1.974 865 H ASP 539 H ASP 539 -10.728 5.644 -3.469 866 HA ASP 539 HA ASP 539 -12.458 4.784 -1.258 867 HB2 ASP 539 HB2 ASP 539 -12.227 7.390 -2.770 868 HB3 ASP 539 HB3 ASP 539 -13.629 7.034 -1.764 869 H MET 540 H MET 540 -12.069 4.625 -4.587 870 HA MET 540 HA MET 540 -14.847 4.065 -5.239 871 HB2 MET 540 HB2 MET 540 -12.278 4.050 -6.797 872 HB3 MET 540 HB3 MET 540 -13.767 3.429 -7.476 873 HG2 MET 540 HG2 MET 540 -14.812 5.582 -7.313 874 HG3 MET 540 HG3 MET 540 -13.430 6.234 -6.437 875 HE1 MET 540 HE1 MET 540 -13.395 5.066 -10.910 876 HE2 MET 540 HE2 MET 540 -14.848 5.079 -9.912 877 HE3 MET 540 HE3 MET 540 -13.585 3.884 -9.614 878 H ASP 541 H ASP 541 -11.907 2.390 -4.422 879 HA ASP 541 HA ASP 541 -12.899 -0.205 -5.285 880 HB2 ASP 541 HB2 ASP 541 -10.271 0.837 -4.292 881 HB3 ASP 541 HB3 ASP 541 -10.596 -0.889 -4.273 882 H PHE 542 H PHE 542 -12.723 1.682 -2.385 883 HA PHE 542 HA PHE 542 -12.809 -0.521 -0.531 884 HB2 PHE 542 HB2 PHE 542 -11.859 1.660 0.100 885 HB3 PHE 542 HB3 PHE 542 -13.427 2.419 -0.133 886 HD1 PHE 542 HD1 PHE 542 -11.527 0.059 1.987 887 HD2 PHE 542 HD2 PHE 542 -15.073 2.380 1.563 888 HE1 PHE 542 HE1 PHE 542 -12.095 -0.382 4.339 889 HE2 PHE 542 HE2 PHE 542 -15.646 1.942 3.913 890 HZ PHE 542 HZ PHE 542 -14.155 0.561 5.307 891 H SER 543 H SER 543 -15.148 1.395 -2.268 892 HA SER 543 HA SER 543 -17.431 0.525 -0.728 893 HB2 SER 543 HB2 SER 543 -18.746 1.827 -2.267 894 HB3 SER 543 HB3 SER 543 -17.298 2.748 -1.874 895 HG SER 543 HG SER 543 -17.824 2.702 -4.142 896 H ALA 544 H ALA 544 -15.682 -0.584 -3.508 897 HA ALA 544 HA ALA 544 -17.798 -2.288 -4.510 898 HB1 ALA 544 HB1 ALA 544 -16.227 -1.217 -6.053 899 HB2 ALA 544 HB2 ALA 544 -16.186 -2.975 -6.194 900 HB3 ALA 544 HB3 ALA 544 -14.901 -2.129 -5.331 901 H LEU 545 H LEU 545 -15.164 -2.565 -2.283 902 HA LEU 545 HA LEU 545 -14.953 -5.432 -2.377 903 HB2 LEU 545 HB2 LEU 545 -13.821 -3.331 -0.552 904 HB3 LEU 545 HB3 LEU 545 -13.533 -5.035 -0.320 905 HG LEU 545 HG LEU 545 -12.775 -3.590 -2.848 906 HD11 LEU 545 HD11 LEU 545 -11.508 -2.575 -1.082 907 HD12 LEU 545 HD12 LEU 545 -10.456 -3.685 -1.962 908 HD13 LEU 545 HD13 LEU 545 -11.121 -4.154 -0.398 909 HD21 LEU 545 HD21 LEU 545 -12.979 -5.982 -3.140 910 HD22 LEU 545 HD22 LEU 545 -11.989 -6.272 -1.709 911 HD23 LEU 545 HD23 LEU 545 -11.272 -5.534 -3.140 912 H LEU 546 H LEU 546 -16.871 -3.125 -0.643 913 HA LEU 546 HA LEU 546 -17.642 -4.977 1.463 914 HB2 LEU 546 HB2 LEU 546 -18.572 -2.186 0.800 915 HB3 LEU 546 HB3 LEU 546 -19.187 -3.113 2.144 916 HG LEU 546 HG LEU 546 -16.326 -2.215 1.807 917 HD11 LEU 546 HD11 LEU 546 -17.813 -0.337 2.225 918 HD12 LEU 546 HD12 LEU 546 -16.836 -0.675 3.653 919 HD13 LEU 546 HD13 LEU 546 -18.524 -1.184 3.599 920 HD21 LEU 546 HD21 LEU 546 -16.490 -4.279 3.081 921 HD22 LEU 546 HD22 LEU 546 -17.728 -3.564 4.109 922 HD23 LEU 546 HD23 LEU 546 -16.081 -2.934 4.146 923 H SER 547 H SER 547 -18.871 -3.718 -1.530 924 HA SER 547 HA SER 547 -21.559 -4.677 -1.235 925 HB2 SER 547 HB2 SER 547 -21.868 -3.932 -3.530 926 HB3 SER 547 HB3 SER 547 -20.970 -2.713 -2.626 927 HG SER 547 HG SER 547 -19.509 -2.895 -4.110 928 H GLN 548 H GLN 548 -18.625 -6.195 -2.136 929 HA GLN 548 HA GLN 548 -19.910 -8.196 -3.795 930 HB2 GLN 548 HB2 GLN 548 -17.035 -7.619 -3.203 931 HB3 GLN 548 HB3 GLN 548 -17.525 -9.095 -4.018 932 HG2 GLN 548 HG2 GLN 548 -18.126 -6.315 -4.989 933 HG3 GLN 548 HG3 GLN 548 -16.777 -7.301 -5.524 934 HE21 GLN 548 HE21 GLN 548 -19.534 -6.202 -6.645 935 HE22 GLN 548 HE22 GLN 548 -20.100 -7.545 -7.572 936 H ILE 549 H ILE 549 -19.243 -7.819 -0.558 937 HA ILE 549 HA ILE 549 -19.042 -10.707 -0.062 938 HB ILE 549 HB ILE 549 -18.459 -8.386 1.782 939 HG12 ILE 549 HG12 ILE 549 -16.608 -10.637 0.956 940 HG13 ILE 549 HG13 ILE 549 -16.723 -9.136 0.048 941 HG21 ILE 549 HG21 ILE 549 -19.597 -10.092 3.067 942 HG22 ILE 549 HG22 ILE 549 -17.885 -10.070 3.493 943 HG23 ILE 549 HG23 ILE 549 -18.513 -11.331 2.434 944 HD11 ILE 549 HD11 ILE 549 -15.990 -7.893 2.025 945 HD12 ILE 549 HD12 ILE 549 -14.812 -9.112 1.541 946 HD13 ILE 549 HD13 ILE 549 -15.866 -9.405 2.923 947 H SER 550 H SER 550 -21.091 -7.930 0.540 948 HA SER 550 HA SER 550 -22.964 -9.559 2.099 949 HB2 SER 550 HB2 SER 550 -24.058 -7.440 2.669 950 HB3 SER 550 HB3 SER 550 -22.334 -7.358 3.022 951 HG SER 550 HG SER 550 -23.690 -6.251 0.790 952 H SER 551 H SER 551 -22.680 -7.785 -0.926 953 HA SER 551 HA SER 551 -23.903 -7.656 -2.820 954 HB2 SER 551 HB2 SER 551 -25.055 -10.302 -1.898 955 HB3 SER 551 HB3 SER 551 -25.190 -9.643 -3.527 956 HG SER 551 HG SER 551 -23.137 -10.094 -3.902 Start of MODEL 2 1 H1 GLY 586 H1 GLY 586 26.010 -6.996 -11.859 2 H2 GLY 586 H2 GLY 586 25.912 -7.238 -10.188 3 H3 GLY 586 H3 GLY 586 27.424 -7.135 -10.939 4 HA2 GLY 586 HA2 GLY 586 27.008 -4.828 -11.533 5 HA3 GLY 586 HA3 GLY 586 25.437 -4.935 -10.752 6 H VAL 587 H VAL 587 25.438 -3.881 -8.897 7 HA VAL 587 HA VAL 587 27.884 -3.612 -7.326 8 HB VAL 587 HB VAL 587 25.158 -2.327 -6.975 9 HG11 VAL 587 HG11 VAL 587 27.681 -1.856 -5.384 10 HG12 VAL 587 HG12 VAL 587 26.192 -2.590 -4.790 11 HG13 VAL 587 HG13 VAL 587 26.208 -0.893 -5.271 12 HG21 VAL 587 HG21 VAL 587 26.403 -1.459 -8.891 13 HG22 VAL 587 HG22 VAL 587 27.791 -1.136 -7.852 14 HG23 VAL 587 HG23 VAL 587 26.287 -0.248 -7.613 15 H ARG 588 H ARG 588 28.149 -4.380 -5.243 16 HA ARG 588 HA ARG 588 26.482 -6.682 -4.568 17 HB2 ARG 588 HB2 ARG 588 28.934 -6.992 -4.721 18 HB3 ARG 588 HB3 ARG 588 29.152 -5.824 -3.425 19 HG2 ARG 588 HG2 ARG 588 27.933 -7.303 -1.894 20 HG3 ARG 588 HG3 ARG 588 27.732 -8.476 -3.198 21 HD2 ARG 588 HD2 ARG 588 30.155 -8.734 -3.353 22 HD3 ARG 588 HD3 ARG 588 30.376 -7.531 -2.083 23 HE ARG 588 HE ARG 588 28.732 -9.741 -1.273 24 HH11 ARG 588 HH11 ARG 588 32.068 -8.675 -1.571 25 HH12 ARG 588 HH12 ARG 588 32.642 -9.765 -0.354 26 HH21 ARG 588 HH21 ARG 588 29.508 -11.154 0.314 27 HH22 ARG 588 HH22 ARG 588 31.194 -11.168 0.710 28 H LYS 589 H LYS 589 25.039 -6.631 -2.972 29 HA LYS 589 HA LYS 589 25.278 -4.516 -0.945 30 HB2 LYS 589 HB2 LYS 589 22.764 -5.353 -2.390 31 HB3 LYS 589 HB3 LYS 589 22.780 -4.322 -0.969 32 HG2 LYS 589 HG2 LYS 589 24.172 -2.704 -2.244 33 HG3 LYS 589 HG3 LYS 589 23.949 -3.699 -3.680 34 HD2 LYS 589 HD2 LYS 589 21.514 -3.339 -3.518 35 HD3 LYS 589 HD3 LYS 589 21.769 -2.341 -2.079 36 HE2 LYS 589 HE2 LYS 589 23.083 -0.765 -3.400 37 HE3 LYS 589 HE3 LYS 589 22.852 -1.760 -4.837 38 HZ1 LYS 589 HZ1 LYS 589 21.309 0.085 -4.810 39 HZ2 LYS 589 HZ2 LYS 589 20.704 -0.395 -3.306 40 HZ3 LYS 589 HZ3 LYS 589 20.466 -1.374 -4.664 41 H GLY 590 H GLY 590 25.047 -5.125 1.105 42 HA2 GLY 590 HA2 GLY 590 24.735 -7.927 1.730 43 HA3 GLY 590 HA3 GLY 590 25.100 -6.638 2.861 44 H TRP 591 H TRP 591 22.613 -5.213 1.663 45 HA TRP 591 HA TRP 591 20.784 -6.272 3.645 46 HB2 TRP 591 HB2 TRP 591 20.683 -3.836 1.893 47 HB3 TRP 591 HB3 TRP 591 19.353 -4.286 2.945 48 HD1 TRP 591 HD1 TRP 591 22.326 -2.142 2.879 49 HE1 TRP 591 HE1 TRP 591 22.987 -1.382 5.247 50 HE3 TRP 591 HE3 TRP 591 19.495 -5.418 5.613 51 HZ2 TRP 591 HZ2 TRP 591 22.395 -2.083 7.918 52 HZ3 TRP 591 HZ3 TRP 591 19.607 -5.310 8.064 53 HH2 TRP 591 HH2 TRP 591 21.023 -3.676 9.190 54 H HIS 592 H HIS 592 21.158 -6.483 0.240 55 HA HIS 592 HA HIS 592 18.518 -7.532 -0.272 56 HB2 HIS 592 HB2 HIS 592 19.936 -6.433 -2.030 57 HB3 HIS 592 HB3 HIS 592 20.997 -7.835 -1.985 58 HD1 HIS 592 HD1 HIS 592 20.528 -9.422 -3.809 59 HD2 HIS 592 HD2 HIS 592 17.095 -7.414 -2.611 60 HE1 HIS 592 HE1 HIS 592 18.684 -10.317 -5.263 61 HE2 HIS 592 HE2 HIS 592 16.633 -9.027 -4.578 62 H GLU 593 H GLU 593 21.319 -8.780 1.175 63 HA GLU 593 HA GLU 593 21.136 -11.494 0.264 64 HB2 GLU 593 HB2 GLU 593 22.731 -10.156 2.426 65 HB3 GLU 593 HB3 GLU 593 22.773 -11.895 2.192 66 HG2 GLU 593 HG2 GLU 593 23.528 -11.496 -0.135 67 HG3 GLU 593 HG3 GLU 593 23.615 -9.776 0.224 68 H HIS 594 H HIS 594 20.105 -9.769 3.197 69 HA HIS 594 HA HIS 594 18.895 -12.197 4.256 70 HB2 HIS 594 HB2 HIS 594 18.928 -9.408 5.426 71 HB3 HIS 594 HB3 HIS 594 18.271 -10.827 6.223 72 HD1 HIS 594 HD1 HIS 594 20.229 -12.796 6.560 73 HD2 HIS 594 HD2 HIS 594 21.459 -8.851 6.173 74 HE1 HIS 594 HE1 HIS 594 22.526 -12.709 7.578 75 HE2 HIS 594 HE2 HIS 594 23.295 -10.336 7.225 76 H VAL 595 H VAL 595 17.967 -9.436 2.411 77 HA VAL 595 HA VAL 595 15.143 -9.805 2.899 78 HB VAL 595 HB VAL 595 16.648 -7.911 1.074 79 HG11 VAL 595 HG11 VAL 595 13.651 -8.226 1.295 80 HG12 VAL 595 HG12 VAL 595 14.636 -8.378 -0.161 81 HG13 VAL 595 HG13 VAL 595 14.450 -6.807 0.621 82 HG21 VAL 595 HG21 VAL 595 16.306 -6.338 2.655 83 HG22 VAL 595 HG22 VAL 595 16.135 -7.737 3.721 84 HG23 VAL 595 HG23 VAL 595 14.703 -6.953 3.059 85 H THR 596 H THR 596 13.791 -11.033 1.740 86 HA THR 596 HA THR 596 14.910 -12.517 -0.550 87 HB THR 596 HB THR 596 13.365 -14.332 -0.011 88 HG1 THR 596 HG1 THR 596 12.563 -13.635 2.440 89 HG21 THR 596 HG21 THR 596 14.311 -15.067 2.121 90 HG22 THR 596 HG22 THR 596 14.929 -13.441 2.407 91 HG23 THR 596 HG23 THR 596 15.548 -14.396 1.058 92 H GLN 597 H GLN 597 12.959 -13.577 -1.832 93 HA GLN 597 HA GLN 597 11.244 -11.511 -2.872 94 HB2 GLN 597 HB2 GLN 597 11.368 -14.489 -3.439 95 HB3 GLN 597 HB3 GLN 597 10.297 -13.374 -4.265 96 HG2 GLN 597 HG2 GLN 597 12.224 -12.173 -5.163 97 HG3 GLN 597 HG3 GLN 597 13.297 -13.288 -4.329 98 HE21 GLN 597 HE21 GLN 597 10.640 -14.981 -5.325 99 HE22 GLN 597 HE22 GLN 597 11.228 -15.585 -6.832 100 H ASP 598 H ASP 598 11.113 -13.793 -0.329 101 HA ASP 598 HA ASP 598 8.220 -14.005 -0.227 102 HB2 ASP 598 HB2 ASP 598 10.450 -14.998 1.560 103 HB3 ASP 598 HB3 ASP 598 8.754 -15.191 1.983 104 H LEU 599 H LEU 599 10.730 -11.994 1.236 105 HA LEU 599 HA LEU 599 9.111 -10.803 3.231 106 HB2 LEU 599 HB2 LEU 599 11.589 -10.543 3.115 107 HB3 LEU 599 HB3 LEU 599 11.392 -9.498 1.729 108 HG LEU 599 HG LEU 599 9.872 -8.182 3.585 109 HD11 LEU 599 HD11 LEU 599 10.789 -8.323 5.715 110 HD12 LEU 599 HD12 LEU 599 12.271 -9.084 5.130 111 HD13 LEU 599 HD13 LEU 599 10.773 -10.006 5.186 112 HD21 LEU 599 HD21 LEU 599 12.848 -7.911 3.137 113 HD22 LEU 599 HD22 LEU 599 11.844 -6.721 3.956 114 HD23 LEU 599 HD23 LEU 599 11.577 -7.069 2.251 115 H ARG 600 H ARG 600 9.784 -9.820 -0.130 116 HA ARG 600 HA ARG 600 8.457 -7.367 -0.045 117 HB2 ARG 600 HB2 ARG 600 8.987 -9.175 -2.417 118 HB3 ARG 600 HB3 ARG 600 8.416 -7.521 -2.550 119 HG2 ARG 600 HG2 ARG 600 10.449 -6.631 -1.816 120 HG3 ARG 600 HG3 ARG 600 10.982 -8.167 -1.136 121 HD2 ARG 600 HD2 ARG 600 12.218 -7.810 -3.144 122 HD3 ARG 600 HD3 ARG 600 11.045 -9.085 -3.465 123 HE ARG 600 HE ARG 600 9.860 -6.698 -4.235 124 HH11 ARG 600 HH11 ARG 600 12.657 -8.583 -5.222 125 HH12 ARG 600 HH12 ARG 600 12.606 -8.013 -6.857 126 HH21 ARG 600 HH21 ARG 600 9.816 -5.968 -6.380 127 HH22 ARG 600 HH22 ARG 600 10.999 -6.534 -7.510 128 H SER 601 H SER 601 7.131 -10.540 -0.270 129 HA SER 601 HA SER 601 4.543 -9.697 -1.261 130 HB2 SER 601 HB2 SER 601 3.915 -12.063 -0.944 131 HB3 SER 601 HB3 SER 601 5.445 -11.936 -1.805 132 HG SER 601 HG SER 601 6.452 -12.836 -0.177 133 H HIS 602 H HIS 602 6.055 -10.404 1.840 134 HA HIS 602 HA HIS 602 3.619 -10.210 3.389 135 HB2 HIS 602 HB2 HIS 602 6.554 -10.351 4.132 136 HB3 HIS 602 HB3 HIS 602 5.277 -10.202 5.328 137 HD1 HIS 602 HD1 HIS 602 3.308 -12.247 4.794 138 HD2 HIS 602 HD2 HIS 602 7.314 -12.922 3.920 139 HE1 HIS 602 HE1 HIS 602 3.563 -14.748 4.703 140 HE2 HIS 602 HE2 HIS 602 5.977 -15.131 4.087 141 H LEU 603 H LEU 603 6.065 -8.100 2.216 142 HA LEU 603 HA LEU 603 5.524 -5.794 3.844 143 HB2 LEU 603 HB2 LEU 603 7.036 -6.439 1.349 144 HB3 LEU 603 HB3 LEU 603 6.655 -4.765 1.638 145 HG LEU 603 HG LEU 603 8.556 -6.572 3.116 146 HD11 LEU 603 HD11 LEU 603 10.025 -4.604 2.956 147 HD12 LEU 603 HD12 LEU 603 8.779 -3.816 1.978 148 HD13 LEU 603 HD13 LEU 603 9.546 -5.298 1.406 149 HD21 LEU 603 HD21 LEU 603 7.406 -5.709 4.982 150 HD22 LEU 603 HD22 LEU 603 7.331 -4.091 4.283 151 HD23 LEU 603 HD23 LEU 603 8.877 -4.750 4.803 152 H VAL 604 H VAL 604 4.351 -7.126 0.830 153 HA VAL 604 HA VAL 604 2.677 -4.888 0.167 154 HB VAL 604 HB VAL 604 3.305 -7.548 -1.076 155 HG11 VAL 604 HG11 VAL 604 1.175 -7.684 -1.829 156 HG12 VAL 604 HG12 VAL 604 1.748 -6.480 -2.991 157 HG13 VAL 604 HG13 VAL 604 0.858 -5.977 -1.552 158 HG21 VAL 604 HG21 VAL 604 3.344 -4.798 -2.281 159 HG22 VAL 604 HG22 VAL 604 4.192 -6.258 -2.823 160 HG23 VAL 604 HG23 VAL 604 4.692 -5.445 -1.329 161 H HIS 605 H HIS 605 2.341 -8.030 1.723 162 HA HIS 605 HA HIS 605 -0.531 -7.957 1.898 163 HB2 HIS 605 HB2 HIS 605 1.611 -9.680 3.129 164 HB3 HIS 605 HB3 HIS 605 -0.051 -9.789 3.686 165 HD1 HIS 605 HD1 HIS 605 0.904 -12.312 2.565 166 HD2 HIS 605 HD2 HIS 605 -0.594 -9.310 0.119 167 HE1 HIS 605 HE1 HIS 605 0.225 -13.462 0.432 168 HE2 HIS 605 HE2 HIS 605 -0.695 -11.627 -1.030 169 H LYS 606 H LYS 606 2.026 -6.480 3.554 170 HA LYS 606 HA LYS 606 0.621 -5.929 6.054 171 HB2 LYS 606 HB2 LYS 606 3.087 -6.272 5.961 172 HB3 LYS 606 HB3 LYS 606 3.223 -4.872 4.910 173 HG2 LYS 606 HG2 LYS 606 2.547 -3.404 6.694 174 HG3 LYS 606 HG3 LYS 606 2.239 -4.782 7.756 175 HD2 LYS 606 HD2 LYS 606 4.591 -5.375 7.666 176 HD3 LYS 606 HD3 LYS 606 4.901 -4.045 6.540 177 HE2 LYS 606 HE2 LYS 606 4.184 -2.458 8.257 178 HE3 LYS 606 HE3 LYS 606 3.869 -3.773 9.369 179 HZ1 LYS 606 HZ1 LYS 606 6.004 -2.733 9.808 180 HZ2 LYS 606 HZ2 LYS 606 6.525 -3.074 8.236 181 HZ3 LYS 606 HZ3 LYS 606 6.216 -4.338 9.318 182 H LEU 607 H LEU 607 1.181 -4.669 2.967 183 HA LEU 607 HA LEU 607 0.492 -1.912 3.450 184 HB2 LEU 607 HB2 LEU 607 2.355 -2.578 2.087 185 HB3 LEU 607 HB3 LEU 607 1.309 -3.541 1.095 186 HG LEU 607 HG LEU 607 0.422 -1.597 0.003 187 HD11 LEU 607 HD11 LEU 607 0.225 -0.020 1.852 188 HD12 LEU 607 HD12 LEU 607 1.177 0.681 0.533 189 HD13 LEU 607 HD13 LEU 607 1.983 0.066 1.981 190 HD21 LEU 607 HD21 LEU 607 2.688 -2.473 -0.560 191 HD22 LEU 607 HD22 LEU 607 3.355 -1.146 0.393 192 HD23 LEU 607 HD23 LEU 607 2.382 -0.807 -1.036 193 H VAL 608 H VAL 608 -0.852 -4.732 1.769 194 HA VAL 608 HA VAL 608 -3.209 -3.413 0.778 195 HB VAL 608 HB VAL 608 -2.420 -6.339 0.970 196 HG11 VAL 608 HG11 VAL 608 -4.841 -6.292 1.104 197 HG12 VAL 608 HG12 VAL 608 -4.340 -6.853 -0.494 198 HG13 VAL 608 HG13 VAL 608 -4.921 -5.202 -0.279 199 HG21 VAL 608 HG21 VAL 608 -2.743 -4.502 -1.406 200 HG22 VAL 608 HG22 VAL 608 -2.220 -6.185 -1.452 201 HG23 VAL 608 HG23 VAL 608 -1.210 -4.970 -0.669 202 H GLN 609 H GLN 609 -2.358 -4.812 3.836 203 HA GLN 609 HA GLN 609 -5.082 -5.312 4.654 204 HB2 GLN 609 HB2 GLN 609 -2.431 -5.725 5.934 205 HB3 GLN 609 HB3 GLN 609 -3.862 -5.655 6.951 206 HG2 GLN 609 HG2 GLN 609 -4.848 -7.459 5.555 207 HG3 GLN 609 HG3 GLN 609 -3.311 -7.547 4.714 208 HE21 GLN 609 HE21 GLN 609 -1.372 -7.859 6.302 209 HE22 GLN 609 HE22 GLN 609 -1.611 -9.041 7.539 210 H ALA 610 H ALA 610 -2.729 -2.784 4.970 211 HA ALA 610 HA ALA 610 -4.193 -1.242 6.901 212 HB1 ALA 610 HB1 ALA 610 -1.780 -1.025 6.665 213 HB2 ALA 610 HB2 ALA 610 -2.583 0.521 6.369 214 HB3 ALA 610 HB3 ALA 610 -1.985 -0.443 5.014 215 H ILE 611 H ILE 611 -4.289 -1.644 3.457 216 HA ILE 611 HA ILE 611 -5.843 0.774 3.002 217 HB ILE 611 HB ILE 611 -5.015 -1.429 1.076 218 HG12 ILE 611 HG12 ILE 611 -4.109 1.443 1.189 219 HG13 ILE 611 HG13 ILE 611 -3.250 0.153 1.985 220 HG21 ILE 611 HG21 ILE 611 -7.139 -0.436 0.371 221 HG22 ILE 611 HG22 ILE 611 -5.829 0.043 -0.708 222 HG23 ILE 611 HG23 ILE 611 -6.431 1.174 0.501 223 HD11 ILE 611 HD11 ILE 611 -3.627 0.567 -0.964 224 HD12 ILE 611 HD12 ILE 611 -2.976 -0.918 -0.273 225 HD13 ILE 611 HD13 ILE 611 -2.120 0.607 -0.048 226 H PHE 612 H PHE 612 -6.409 -2.726 2.349 227 HA PHE 612 HA PHE 612 -8.981 -2.500 3.691 228 HB2 PHE 612 HB2 PHE 612 -9.401 -2.181 1.235 229 HB3 PHE 612 HB3 PHE 612 -8.723 -3.779 0.950 230 HD1 PHE 612 HD1 PHE 612 -11.538 -1.915 2.350 231 HD2 PHE 612 HD2 PHE 612 -9.991 -5.764 1.430 232 HE1 PHE 612 HE1 PHE 612 -13.778 -2.891 2.692 233 HE2 PHE 612 HE2 PHE 612 -12.224 -6.751 1.762 234 HZ PHE 612 HZ PHE 612 -14.123 -5.311 2.391 235 HA PRO 613 HA PRO 613 -7.140 -6.457 5.054 236 HB2 PRO 613 HB2 PRO 613 -8.239 -6.556 7.502 237 HB3 PRO 613 HB3 PRO 613 -6.837 -5.552 7.155 238 HG2 PRO 613 HG2 PRO 613 -9.613 -4.743 7.479 239 HG3 PRO 613 HG3 PRO 613 -8.260 -3.958 7.946 240 HD2 PRO 613 HD2 PRO 613 -9.601 -3.341 5.651 241 HD3 PRO 613 HD3 PRO 613 -8.044 -2.919 5.902 242 H THR 614 H THR 614 -7.987 -8.523 5.092 243 HA THR 614 HA THR 614 -10.858 -8.869 5.123 244 HB THR 614 HB THR 614 -9.244 -9.752 2.748 245 HG1 THR 614 HG1 THR 614 -10.174 -7.468 3.055 246 HG21 THR 614 HG21 THR 614 -10.937 -11.428 3.357 247 HG22 THR 614 HG22 THR 614 -11.319 -10.638 1.827 248 HG23 THR 614 HG23 THR 614 -12.178 -10.178 3.296 249 HA PRO 615 HA PRO 615 -9.873 -12.555 7.588 250 HB2 PRO 615 HB2 PRO 615 -12.583 -13.114 6.489 251 HB3 PRO 615 HB3 PRO 615 -11.978 -13.354 8.116 252 HG2 PRO 615 HG2 PRO 615 -13.438 -11.273 7.595 253 HG3 PRO 615 HG3 PRO 615 -12.136 -11.097 8.564 254 HD2 PRO 615 HD2 PRO 615 -12.452 -10.238 5.887 255 HD3 PRO 615 HD3 PRO 615 -11.585 -9.535 7.079 256 H ASP 616 H ASP 616 -11.707 -12.930 4.575 257 HA ASP 616 HA ASP 616 -10.520 -15.514 4.020 258 HB2 ASP 616 HB2 ASP 616 -12.950 -14.993 3.603 259 HB3 ASP 616 HB3 ASP 616 -12.434 -13.952 2.281 260 HA PRO 617 HA PRO 617 -7.187 -13.688 1.480 261 HB2 PRO 617 HB2 PRO 617 -6.682 -16.582 1.008 262 HB3 PRO 617 HB3 PRO 617 -5.559 -15.309 1.503 263 HG2 PRO 617 HG2 PRO 617 -6.381 -17.015 3.270 264 HG3 PRO 617 HG3 PRO 617 -6.296 -15.439 3.690 265 HD2 PRO 617 HD2 PRO 617 -8.672 -16.922 2.968 266 HD3 PRO 617 HD3 PRO 617 -8.495 -15.901 4.231 267 H ALA 618 H ALA 618 -9.862 -15.606 0.577 268 HA ALA 618 HA ALA 618 -9.203 -16.061 -2.175 269 HB1 ALA 618 HB1 ALA 618 -11.497 -16.855 -2.381 270 HB2 ALA 618 HB2 ALA 618 -11.873 -16.210 -0.784 271 HB3 ALA 618 HB3 ALA 618 -10.719 -17.533 -0.951 272 H ALA 619 H ALA 619 -10.223 -13.297 -0.515 273 HA ALA 619 HA ALA 619 -11.727 -12.078 -2.666 274 HB1 ALA 619 HB1 ALA 619 -12.199 -11.564 -0.298 275 HB2 ALA 619 HB2 ALA 619 -11.820 -10.122 -1.244 276 HB3 ALA 619 HB3 ALA 619 -10.606 -10.816 -0.169 277 H LEU 620 H LEU 620 -8.430 -12.446 -1.879 278 HA LEU 620 HA LEU 620 -7.508 -9.994 -3.073 279 HB2 LEU 620 HB2 LEU 620 -6.070 -12.406 -1.972 280 HB3 LEU 620 HB3 LEU 620 -5.247 -11.018 -2.636 281 HG LEU 620 HG LEU 620 -7.067 -10.931 -0.222 282 HD11 LEU 620 HD11 LEU 620 -4.991 -10.659 1.064 283 HD12 LEU 620 HD12 LEU 620 -4.058 -10.948 -0.406 284 HD13 LEU 620 HD13 LEU 620 -5.075 -12.226 0.258 285 HD21 LEU 620 HD21 LEU 620 -5.215 -8.859 -1.406 286 HD22 LEU 620 HD22 LEU 620 -6.049 -8.711 0.141 287 HD23 LEU 620 HD23 LEU 620 -6.977 -8.785 -1.355 288 H LYS 621 H LYS 621 -8.694 -12.720 -4.419 289 HA LYS 621 HA LYS 621 -6.776 -12.810 -6.649 290 HB2 LYS 621 HB2 LYS 621 -8.954 -14.769 -5.894 291 HB3 LYS 621 HB3 LYS 621 -7.884 -14.941 -7.273 292 HG2 LYS 621 HG2 LYS 621 -5.960 -15.111 -5.736 293 HG3 LYS 621 HG3 LYS 621 -7.059 -14.965 -4.371 294 HD2 LYS 621 HD2 LYS 621 -8.197 -17.031 -5.151 295 HD3 LYS 621 HD3 LYS 621 -6.961 -17.204 -6.396 296 HE2 LYS 621 HE2 LYS 621 -5.250 -17.312 -4.670 297 HE3 LYS 621 HE3 LYS 621 -6.492 -17.088 -3.445 298 HZ1 LYS 621 HZ1 LYS 621 -7.489 -19.181 -4.095 299 HZ2 LYS 621 HZ2 LYS 621 -5.868 -19.416 -3.672 300 HZ3 LYS 621 HZ3 LYS 621 -6.322 -19.395 -5.302 301 H ASP 622 H ASP 622 -9.106 -10.896 -6.003 302 HA ASP 622 HA ASP 622 -10.916 -11.300 -8.242 303 HB2 ASP 622 HB2 ASP 622 -11.660 -10.565 -5.941 304 HB3 ASP 622 HB3 ASP 622 -10.855 -9.029 -6.243 305 H ARG 623 H ARG 623 -11.378 -9.560 -9.752 306 HA ARG 623 HA ARG 623 -8.962 -8.573 -10.969 307 HB2 ARG 623 HB2 ARG 623 -11.843 -8.178 -11.808 308 HB3 ARG 623 HB3 ARG 623 -10.432 -7.810 -12.788 309 HG2 ARG 623 HG2 ARG 623 -10.969 -10.546 -11.750 310 HG3 ARG 623 HG3 ARG 623 -11.674 -9.980 -13.269 311 HD2 ARG 623 HD2 ARG 623 -9.719 -11.095 -13.922 312 HD3 ARG 623 HD3 ARG 623 -9.270 -9.391 -13.943 313 HE ARG 623 HE ARG 623 -7.856 -9.747 -12.153 314 HH11 ARG 623 HH11 ARG 623 -9.737 -12.666 -12.700 315 HH12 ARG 623 HH12 ARG 623 -8.767 -13.626 -11.634 316 HH21 ARG 623 HH21 ARG 623 -6.604 -11.025 -10.761 317 HH22 ARG 623 HH22 ARG 623 -6.998 -12.697 -10.537 318 H ARG 624 H ARG 624 -11.775 -7.254 -9.385 319 HA ARG 624 HA ARG 624 -11.181 -4.486 -9.809 320 HB2 ARG 624 HB2 ARG 624 -13.009 -5.843 -7.821 321 HB3 ARG 624 HB3 ARG 624 -12.921 -4.102 -8.045 322 HG2 ARG 624 HG2 ARG 624 -13.606 -4.401 -10.398 323 HG3 ARG 624 HG3 ARG 624 -13.768 -6.133 -10.103 324 HD2 ARG 624 HD2 ARG 624 -15.229 -4.148 -8.402 325 HD3 ARG 624 HD3 ARG 624 -15.871 -4.632 -9.971 326 HE ARG 624 HE ARG 624 -15.222 -6.939 -8.517 327 HH11 ARG 624 HH11 ARG 624 -17.590 -4.343 -8.412 328 HH12 ARG 624 HH12 ARG 624 -18.790 -5.317 -7.630 329 HH21 ARG 624 HH21 ARG 624 -16.807 -8.190 -7.495 330 HH22 ARG 624 HH22 ARG 624 -18.346 -7.493 -7.112 331 H MET 625 H MET 625 -10.121 -6.817 -7.487 332 HA MET 625 HA MET 625 -9.105 -4.840 -5.600 333 HB2 MET 625 HB2 MET 625 -10.051 -6.913 -4.721 334 HB3 MET 625 HB3 MET 625 -8.923 -7.860 -5.684 335 HG2 MET 625 HG2 MET 625 -7.249 -7.608 -4.202 336 HG3 MET 625 HG3 MET 625 -7.666 -5.932 -3.854 337 HE1 MET 625 HE1 MET 625 -8.815 -5.173 -1.701 338 HE2 MET 625 HE2 MET 625 -7.263 -5.959 -1.386 339 HE3 MET 625 HE3 MET 625 -8.644 -6.288 -0.342 340 H GLU 626 H GLU 626 -7.932 -7.050 -8.066 341 HA GLU 626 HA GLU 626 -5.205 -6.996 -7.676 342 HB2 GLU 626 HB2 GLU 626 -6.430 -8.431 -9.294 343 HB3 GLU 626 HB3 GLU 626 -6.610 -7.038 -10.349 344 HG2 GLU 626 HG2 GLU 626 -4.192 -6.901 -10.611 345 HG3 GLU 626 HG3 GLU 626 -3.983 -8.262 -9.511 346 H ASN 627 H ASN 627 -7.202 -4.389 -8.737 347 HA ASN 627 HA ASN 627 -5.341 -2.887 -10.254 348 HB2 ASN 627 HB2 ASN 627 -7.864 -2.132 -8.772 349 HB3 ASN 627 HB3 ASN 627 -6.914 -0.950 -9.660 350 HD21 ASN 627 HD21 ASN 627 -9.622 -1.704 -10.151 351 HD22 ASN 627 HD22 ASN 627 -9.690 -2.368 -11.744 352 H LEU 628 H LEU 628 -6.110 -2.885 -6.767 353 HA LEU 628 HA LEU 628 -4.197 -0.762 -6.313 354 HB2 LEU 628 HB2 LEU 628 -5.974 -2.201 -4.357 355 HB3 LEU 628 HB3 LEU 628 -4.873 -0.926 -3.914 356 HG LEU 628 HG LEU 628 -7.246 -0.554 -5.760 357 HD11 LEU 628 HD11 LEU 628 -6.952 0.207 -2.860 358 HD12 LEU 628 HD12 LEU 628 -7.872 -1.183 -3.434 359 HD13 LEU 628 HD13 LEU 628 -8.371 0.454 -3.887 360 HD21 LEU 628 HD21 LEU 628 -5.632 1.125 -6.173 361 HD22 LEU 628 HD22 LEU 628 -5.277 1.290 -4.449 362 HD23 LEU 628 HD23 LEU 628 -6.829 1.844 -5.085 363 H VAL 629 H VAL 629 -4.385 -4.223 -5.952 364 HA VAL 629 HA VAL 629 -2.034 -4.760 -4.525 365 HB VAL 629 HB VAL 629 -3.239 -6.274 -6.867 366 HG11 VAL 629 HG11 VAL 629 -2.049 -8.259 -6.045 367 HG12 VAL 629 HG12 VAL 629 -1.218 -7.259 -4.850 368 HG13 VAL 629 HG13 VAL 629 -0.940 -6.991 -6.577 369 HG21 VAL 629 HG21 VAL 629 -4.768 -6.015 -4.983 370 HG22 VAL 629 HG22 VAL 629 -3.556 -6.696 -3.898 371 HG23 VAL 629 HG23 VAL 629 -4.264 -7.696 -5.166 372 H ALA 630 H ALA 630 -2.580 -3.813 -7.845 373 HA ALA 630 HA ALA 630 0.139 -4.011 -8.715 374 HB1 ALA 630 HB1 ALA 630 -2.271 -2.655 -9.917 375 HB2 ALA 630 HB2 ALA 630 -1.698 -4.290 -10.257 376 HB3 ALA 630 HB3 ALA 630 -0.724 -2.896 -10.738 377 H TYR 631 H TYR 631 -1.752 -1.671 -7.042 378 HA TYR 631 HA TYR 631 0.001 0.578 -7.460 379 HB2 TYR 631 HB2 TYR 631 -2.289 0.053 -5.537 380 HB3 TYR 631 HB3 TYR 631 -1.367 1.543 -5.531 381 HD1 TYR 631 HD1 TYR 631 -1.856 0.212 -8.835 382 HD2 TYR 631 HD2 TYR 631 -3.692 2.570 -5.780 383 HE1 TYR 631 HE1 TYR 631 -3.367 1.194 -10.508 384 HE2 TYR 631 HE2 TYR 631 -5.199 3.552 -7.461 385 HH TYR 631 HH TYR 631 -5.564 2.290 -10.588 386 H ALA 632 H ALA 632 -0.345 -2.011 -5.114 387 HA ALA 632 HA ALA 632 1.557 -0.874 -3.250 388 HB1 ALA 632 HB1 ALA 632 -0.248 -2.073 -2.301 389 HB2 ALA 632 HB2 ALA 632 1.222 -3.024 -2.046 390 HB3 ALA 632 HB3 ALA 632 0.078 -3.485 -3.308 391 H LYS 633 H LYS 633 1.496 -3.414 -5.705 392 HA LYS 633 HA LYS 633 3.905 -4.699 -5.038 393 HB2 LYS 633 HB2 LYS 633 2.111 -4.617 -7.421 394 HB3 LYS 633 HB3 LYS 633 3.706 -5.323 -7.612 395 HG2 LYS 633 HG2 LYS 633 3.206 -6.941 -5.841 396 HG3 LYS 633 HG3 LYS 633 1.610 -6.228 -5.648 397 HD2 LYS 633 HD2 LYS 633 0.942 -6.911 -7.827 398 HD3 LYS 633 HD3 LYS 633 2.585 -7.382 -8.239 399 HE2 LYS 633 HE2 LYS 633 2.459 -9.345 -7.049 400 HE3 LYS 633 HE3 LYS 633 1.290 -8.697 -5.904 401 HZ1 LYS 633 HZ1 LYS 633 0.288 -10.364 -7.329 402 HZ2 LYS 633 HZ2 LYS 633 0.714 -9.487 -8.712 403 HZ3 LYS 633 HZ3 LYS 633 -0.413 -8.852 -7.623 404 H LYS 634 H LYS 634 3.267 -1.785 -6.840 405 HA LYS 634 HA LYS 634 5.824 -1.680 -8.107 406 HB2 LYS 634 HB2 LYS 634 3.931 -0.865 -9.309 407 HB3 LYS 634 HB3 LYS 634 3.541 0.272 -8.042 408 HG2 LYS 634 HG2 LYS 634 4.579 1.386 -9.929 409 HG3 LYS 634 HG3 LYS 634 5.585 1.463 -8.487 410 HD2 LYS 634 HD2 LYS 634 6.919 -0.445 -9.383 411 HD3 LYS 634 HD3 LYS 634 5.965 -0.367 -10.863 412 HE2 LYS 634 HE2 LYS 634 6.743 1.942 -11.220 413 HE3 LYS 634 HE3 LYS 634 7.724 1.830 -9.761 414 HZ1 LYS 634 HZ1 LYS 634 9.037 1.425 -11.747 415 HZ2 LYS 634 HZ2 LYS 634 8.028 0.140 -12.185 416 HZ3 LYS 634 HZ3 LYS 634 8.975 0.032 -10.789 417 H VAL 635 H VAL 635 4.352 -0.334 -5.228 418 HA VAL 635 HA VAL 635 6.303 1.734 -4.875 419 HB VAL 635 HB VAL 635 4.306 0.633 -2.886 420 HG11 VAL 635 HG11 VAL 635 6.146 1.551 -1.647 421 HG12 VAL 635 HG12 VAL 635 4.770 2.655 -1.547 422 HG13 VAL 635 HG13 VAL 635 6.120 3.020 -2.623 423 HG21 VAL 635 HG21 VAL 635 3.162 1.786 -4.652 424 HG22 VAL 635 HG22 VAL 635 4.262 3.159 -4.540 425 HG23 VAL 635 HG23 VAL 635 3.151 2.807 -3.213 426 H GLU 636 H GLU 636 5.958 -1.562 -3.697 427 HA GLU 636 HA GLU 636 7.995 -1.555 -1.726 428 HB2 GLU 636 HB2 GLU 636 7.882 -3.998 -1.908 429 HB3 GLU 636 HB3 GLU 636 6.271 -3.304 -1.890 430 HG2 GLU 636 HG2 GLU 636 6.008 -4.847 -3.538 431 HG3 GLU 636 HG3 GLU 636 6.523 -3.473 -4.504 432 H GLY 637 H GLY 637 8.067 -1.940 -5.224 433 HA2 GLY 637 HA2 GLY 637 10.799 -2.893 -5.323 434 HA3 GLY 637 HA3 GLY 637 9.780 -2.498 -6.696 435 H ASP 638 H ASP 638 9.226 0.188 -5.367 436 HA ASP 638 HA ASP 638 11.481 1.623 -6.487 437 HB2 ASP 638 HB2 ASP 638 8.828 2.472 -5.317 438 HB3 ASP 638 HB3 ASP 638 10.062 3.644 -5.758 439 H MET 639 H MET 639 10.485 0.489 -3.427 440 HA MET 639 HA MET 639 11.691 2.409 -1.719 441 HB2 MET 639 HB2 MET 639 10.715 -0.407 -1.345 442 HB3 MET 639 HB3 MET 639 11.522 0.467 -0.041 443 HG2 MET 639 HG2 MET 639 9.799 2.263 -0.361 444 HG3 MET 639 HG3 MET 639 8.935 1.156 -1.408 445 HE1 MET 639 HE1 MET 639 8.975 -1.609 -0.175 446 HE2 MET 639 HE2 MET 639 9.059 -1.745 1.584 447 HE3 MET 639 HE3 MET 639 10.459 -1.186 0.671 448 H TYR 640 H TYR 640 12.957 -0.354 -3.444 449 HA TYR 640 HA TYR 640 15.324 -0.689 -1.862 450 HB2 TYR 640 HB2 TYR 640 14.540 -1.682 -4.606 451 HB3 TYR 640 HB3 TYR 640 16.114 -2.028 -3.889 452 HD1 TYR 640 HD1 TYR 640 12.652 -2.983 -4.066 453 HD2 TYR 640 HD2 TYR 640 16.176 -3.350 -1.710 454 HE1 TYR 640 HE1 TYR 640 11.702 -4.954 -2.950 455 HE2 TYR 640 HE2 TYR 640 15.244 -5.307 -0.590 456 HH TYR 640 HH TYR 640 12.987 -6.273 -0.130 457 H GLU 641 H GLU 641 14.475 1.190 -4.703 458 HA GLU 641 HA GLU 641 17.222 2.006 -5.201 459 HB2 GLU 641 HB2 GLU 641 14.623 2.717 -6.569 460 HB3 GLU 641 HB3 GLU 641 16.182 3.356 -7.045 461 HG2 GLU 641 HG2 GLU 641 16.973 1.111 -7.544 462 HG3 GLU 641 HG3 GLU 641 15.412 0.468 -7.053 463 H SER 642 H SER 642 14.529 3.133 -3.398 464 HA SER 642 HA SER 642 15.439 5.914 -3.398 465 HB2 SER 642 HB2 SER 642 13.333 6.408 -2.245 466 HB3 SER 642 HB3 SER 642 13.033 5.480 -3.713 467 HG SER 642 HG SER 642 13.238 4.324 -1.132 468 H ALA 643 H ALA 643 15.184 3.127 -1.258 469 HA ALA 643 HA ALA 643 16.099 4.694 1.037 470 HB1 ALA 643 HB1 ALA 643 14.210 3.167 1.365 471 HB2 ALA 643 HB2 ALA 643 15.588 2.726 2.373 472 HB3 ALA 643 HB3 ALA 643 15.234 1.807 0.908 473 H ASN 644 H ASN 644 18.022 4.388 2.070 474 HA ASN 644 HA ASN 644 19.979 2.646 0.731 475 HB2 ASN 644 HB2 ASN 644 20.450 5.247 2.211 476 HB3 ASN 644 HB3 ASN 644 21.731 4.210 1.610 477 HD21 ASN 644 HD21 ASN 644 19.823 6.876 0.920 478 HD22 ASN 644 HD22 ASN 644 20.109 6.972 -0.779 479 H SER 645 H SER 645 18.202 2.949 3.532 480 HA SER 645 HA SER 645 20.032 1.172 4.993 481 HB2 SER 645 HB2 SER 645 19.486 2.293 7.110 482 HB3 SER 645 HB3 SER 645 20.208 3.434 5.976 483 HG SER 645 HG SER 645 18.035 4.102 5.473 484 H ARG 646 H ARG 646 18.803 0.136 6.925 485 HA ARG 646 HA ARG 646 16.585 -1.299 5.802 486 HB2 ARG 646 HB2 ARG 646 18.327 -2.404 7.159 487 HB3 ARG 646 HB3 ARG 646 17.806 -1.485 8.563 488 HG2 ARG 646 HG2 ARG 646 15.648 -2.604 8.531 489 HG3 ARG 646 HG3 ARG 646 16.104 -3.482 7.072 490 HD2 ARG 646 HD2 ARG 646 17.922 -4.583 8.314 491 HD3 ARG 646 HD3 ARG 646 17.447 -3.712 9.770 492 HE ARG 646 HE ARG 646 16.143 -6.012 8.604 493 HH11 ARG 646 HH11 ARG 646 15.787 -3.340 10.858 494 HH12 ARG 646 HH12 ARG 646 14.488 -4.093 11.721 495 HH21 ARG 646 HH21 ARG 646 14.441 -6.976 9.748 496 HH22 ARG 646 HH22 ARG 646 13.730 -6.149 11.095 497 H ASP 647 H ASP 647 16.949 1.198 8.255 498 HA ASP 647 HA ASP 647 14.246 0.925 9.240 499 HB2 ASP 647 HB2 ASP 647 16.455 2.921 9.789 500 HB3 ASP 647 HB3 ASP 647 14.863 3.039 10.528 501 H GLU 648 H GLU 648 15.804 2.687 6.704 502 HA GLU 648 HA GLU 648 13.639 4.602 6.374 503 HB2 GLU 648 HB2 GLU 648 15.958 5.275 5.857 504 HB3 GLU 648 HB3 GLU 648 16.061 4.018 4.637 505 HG2 GLU 648 HG2 GLU 648 14.378 5.147 3.296 506 HG3 GLU 648 HG3 GLU 648 14.192 6.387 4.532 507 H TYR 649 H TYR 649 14.826 1.631 4.913 508 HA TYR 649 HA TYR 649 13.133 1.435 2.704 509 HB2 TYR 649 HB2 TYR 649 15.043 0.004 2.886 510 HB3 TYR 649 HB3 TYR 649 14.517 -0.625 4.436 511 HD1 TYR 649 HD1 TYR 649 13.607 -0.557 0.845 512 HD2 TYR 649 HD2 TYR 649 13.362 -2.682 4.520 513 HE1 TYR 649 HE1 TYR 649 12.615 -2.445 -0.333 514 HE2 TYR 649 HE2 TYR 649 12.356 -4.596 3.344 515 HH TYR 649 HH TYR 649 12.354 -4.888 -0.031 516 H TYR 650 H TYR 650 12.690 -0.056 5.928 517 HA TYR 650 HA TYR 650 10.055 -0.960 5.403 518 HB2 TYR 650 HB2 TYR 650 11.697 -0.739 7.923 519 HB3 TYR 650 HB3 TYR 650 10.050 -1.355 7.926 520 HD1 TYR 650 HD1 TYR 650 13.477 -2.209 7.502 521 HD2 TYR 650 HD2 TYR 650 9.543 -3.348 6.332 522 HE1 TYR 650 HE1 TYR 650 14.314 -4.422 6.882 523 HE2 TYR 650 HE2 TYR 650 10.373 -5.581 5.725 524 HH TYR 650 HH TYR 650 12.481 -6.657 5.093 525 H HIS 651 H HIS 651 11.199 2.140 6.387 526 HA HIS 651 HA HIS 651 8.780 2.885 7.806 527 HB2 HIS 651 HB2 HIS 651 10.954 3.762 8.542 528 HB3 HIS 651 HB3 HIS 651 11.126 4.571 6.997 529 HD1 HIS 651 HD1 HIS 651 10.364 6.928 6.936 530 HD2 HIS 651 HD2 HIS 651 8.583 4.810 10.035 531 HE1 HIS 651 HE1 HIS 651 8.990 8.612 8.201 532 HE2 HIS 651 HE2 HIS 651 7.872 7.295 10.034 533 H LEU 652 H LEU 652 10.271 3.628 4.680 534 HA LEU 652 HA LEU 652 8.521 5.501 3.665 535 HB2 LEU 652 HB2 LEU 652 10.114 3.317 2.434 536 HB3 LEU 652 HB3 LEU 652 9.114 4.340 1.442 537 HG LEU 652 HG LEU 652 11.373 5.320 3.175 538 HD11 LEU 652 HD11 LEU 652 12.250 4.027 1.304 539 HD12 LEU 652 HD12 LEU 652 12.571 5.747 1.090 540 HD13 LEU 652 HD13 LEU 652 11.270 4.972 0.185 541 HD21 LEU 652 HD21 LEU 652 11.023 7.411 1.930 542 HD22 LEU 652 HD22 LEU 652 9.619 6.942 2.896 543 HD23 LEU 652 HD23 LEU 652 9.619 6.676 1.154 544 H LEU 653 H LEU 653 8.220 1.974 3.529 545 HA LEU 653 HA LEU 653 5.689 1.888 2.246 546 HB2 LEU 653 HB2 LEU 653 7.225 -0.038 2.355 547 HB3 LEU 653 HB3 LEU 653 6.947 -0.150 4.080 548 HG LEU 653 HG LEU 653 4.404 -0.288 2.860 549 HD11 LEU 653 HD11 LEU 653 6.441 -2.045 1.529 550 HD12 LEU 653 HD12 LEU 653 5.468 -0.793 0.760 551 HD13 LEU 653 HD13 LEU 653 4.693 -2.237 1.412 552 HD21 LEU 653 HD21 LEU 653 4.235 -2.341 3.946 553 HD22 LEU 653 HD22 LEU 653 5.345 -1.413 4.952 554 HD23 LEU 653 HD23 LEU 653 5.969 -2.641 3.852 555 H ALA 654 H ALA 654 6.653 2.108 5.627 556 HA ALA 654 HA ALA 654 4.039 1.801 6.748 557 HB1 ALA 654 HB1 ALA 654 6.125 1.419 8.018 558 HB2 ALA 654 HB2 ALA 654 5.027 2.548 8.812 559 HB3 ALA 654 HB3 ALA 654 6.447 3.154 7.959 560 H GLU 655 H GLU 655 5.840 4.453 5.384 561 HA GLU 655 HA GLU 655 4.329 6.600 6.444 562 HB2 GLU 655 HB2 GLU 655 6.564 6.888 5.391 563 HB3 GLU 655 HB3 GLU 655 5.845 6.539 3.827 564 HG2 GLU 655 HG2 GLU 655 6.013 8.857 3.887 565 HG3 GLU 655 HG3 GLU 655 4.318 8.531 4.272 566 H LYS 656 H LYS 656 4.017 4.855 3.343 567 HA LYS 656 HA LYS 656 1.718 6.297 2.485 568 HB2 LYS 656 HB2 LYS 656 2.567 3.507 1.714 569 HB3 LYS 656 HB3 LYS 656 1.337 4.441 0.902 570 HG2 LYS 656 HG2 LYS 656 4.270 5.135 1.016 571 HG3 LYS 656 HG3 LYS 656 3.425 4.425 -0.359 572 HD2 LYS 656 HD2 LYS 656 2.004 6.441 -0.491 573 HD3 LYS 656 HD3 LYS 656 2.909 7.149 0.849 574 HE2 LYS 656 HE2 LYS 656 4.982 6.721 -0.635 575 HE3 LYS 656 HE3 LYS 656 3.815 6.575 -1.950 576 HZ1 LYS 656 HZ1 LYS 656 3.007 8.795 -1.422 577 HZ2 LYS 656 HZ2 LYS 656 4.659 8.826 -1.777 578 HZ3 LYS 656 HZ3 LYS 656 4.138 8.934 -0.172 579 H ILE 657 H ILE 657 2.253 3.754 4.726 580 HA ILE 657 HA ILE 657 -0.404 2.654 4.723 581 HB ILE 657 HB ILE 657 2.120 2.186 6.185 582 HG12 ILE 657 HG12 ILE 657 -0.113 0.369 5.237 583 HG13 ILE 657 HG13 ILE 657 1.336 0.773 4.333 584 HG21 ILE 657 HG21 ILE 657 -0.394 1.301 7.587 585 HG22 ILE 657 HG22 ILE 657 0.537 2.723 8.069 586 HG23 ILE 657 HG23 ILE 657 1.281 1.117 8.124 587 HD11 ILE 657 HD11 ILE 657 1.209 -0.845 6.879 588 HD12 ILE 657 HD12 ILE 657 2.689 -0.414 6.024 589 HD13 ILE 657 HD13 ILE 657 1.501 -1.464 5.254 590 H TYR 658 H TYR 658 1.244 5.258 6.349 591 HA TYR 658 HA TYR 658 -0.833 5.643 8.315 592 HB2 TYR 658 HB2 TYR 658 1.668 7.186 7.629 593 HB3 TYR 658 HB3 TYR 658 0.539 7.717 8.862 594 HD1 TYR 658 HD1 TYR 658 3.593 6.289 8.541 595 HD2 TYR 658 HD2 TYR 658 -0.129 5.474 10.442 596 HE1 TYR 658 HE1 TYR 658 4.748 4.879 10.190 597 HE2 TYR 658 HE2 TYR 658 1.020 4.059 12.092 598 HH TYR 658 HH TYR 658 3.113 2.773 12.277 599 H LYS 659 H LYS 659 0.108 6.955 5.210 600 HA LYS 659 HA LYS 659 -1.528 9.317 5.360 601 HB2 LYS 659 HB2 LYS 659 0.002 8.081 3.089 602 HB3 LYS 659 HB3 LYS 659 -0.922 9.560 2.922 603 HG2 LYS 659 HG2 LYS 659 1.326 9.213 4.891 604 HG3 LYS 659 HG3 LYS 659 1.543 9.853 3.263 605 HD2 LYS 659 HD2 LYS 659 -0.110 11.648 3.820 606 HD3 LYS 659 HD3 LYS 659 -0.127 11.062 5.480 607 HE2 LYS 659 HE2 LYS 659 2.321 12.043 4.031 608 HE3 LYS 659 HE3 LYS 659 1.336 12.992 5.139 609 HZ1 LYS 659 HZ1 LYS 659 3.296 12.080 6.233 610 HZ2 LYS 659 HZ2 LYS 659 2.791 10.508 5.860 611 HZ3 LYS 659 HZ3 LYS 659 1.875 11.463 6.914 612 H ILE 660 H ILE 660 -1.898 6.106 4.006 613 HA ILE 660 HA ILE 660 -4.329 6.712 2.574 614 HB ILE 660 HB ILE 660 -3.030 4.063 3.300 615 HG12 ILE 660 HG12 ILE 660 -3.373 5.382 0.590 616 HG13 ILE 660 HG13 ILE 660 -1.927 5.557 1.574 617 HG21 ILE 660 HG21 ILE 660 -4.658 3.036 1.718 618 HG22 ILE 660 HG22 ILE 660 -5.520 4.570 1.664 619 HG23 ILE 660 HG23 ILE 660 -5.405 3.677 3.181 620 HD11 ILE 660 HD11 ILE 660 -1.611 3.095 1.457 621 HD12 ILE 660 HD12 ILE 660 -1.534 3.900 -0.110 622 HD13 ILE 660 HD13 ILE 660 -2.987 3.016 0.351 623 H GLN 661 H GLN 661 -3.446 5.584 5.745 624 HA GLN 661 HA GLN 661 -6.029 4.966 6.736 625 HB2 GLN 661 HB2 GLN 661 -3.406 5.653 8.024 626 HB3 GLN 661 HB3 GLN 661 -4.858 5.425 8.987 627 HG2 GLN 661 HG2 GLN 661 -5.075 3.154 8.169 628 HG3 GLN 661 HG3 GLN 661 -3.704 3.376 7.108 629 HE21 GLN 661 HE21 GLN 661 -3.600 1.234 8.696 630 HE22 GLN 661 HE22 GLN 661 -2.490 1.485 9.992 631 H LYS 662 H LYS 662 -4.443 7.971 6.098 632 HA LYS 662 HA LYS 662 -6.008 9.607 7.883 633 HB2 LYS 662 HB2 LYS 662 -3.778 10.328 7.136 634 HB3 LYS 662 HB3 LYS 662 -4.360 10.394 5.487 635 HG2 LYS 662 HG2 LYS 662 -5.866 12.224 6.084 636 HG3 LYS 662 HG3 LYS 662 -5.310 12.154 7.738 637 HD2 LYS 662 HD2 LYS 662 -4.172 13.962 6.758 638 HD3 LYS 662 HD3 LYS 662 -2.992 12.662 6.811 639 HE2 LYS 662 HE2 LYS 662 -2.792 13.672 4.716 640 HE3 LYS 662 HE3 LYS 662 -3.603 12.146 4.452 641 HZ1 LYS 662 HZ1 LYS 662 -5.712 13.313 4.334 642 HZ2 LYS 662 HZ2 LYS 662 -4.638 13.917 3.174 643 HZ3 LYS 662 HZ3 LYS 662 -4.936 14.796 4.587 644 H GLU 663 H GLU 663 -6.157 8.773 4.432 645 HA GLU 663 HA GLU 663 -8.317 10.522 3.827 646 HB2 GLU 663 HB2 GLU 663 -7.032 8.243 2.333 647 HB3 GLU 663 HB3 GLU 663 -8.358 9.167 1.684 648 HG2 GLU 663 HG2 GLU 663 -5.678 10.318 2.434 649 HG3 GLU 663 HG3 GLU 663 -6.167 9.864 0.803 650 H LEU 664 H LEU 664 -8.063 7.066 4.461 651 HA LEU 664 HA LEU 664 -10.837 6.473 4.240 652 HB2 LEU 664 HB2 LEU 664 -8.600 4.996 5.615 653 HB3 LEU 664 HB3 LEU 664 -10.229 4.371 5.465 654 HG LEU 664 HG LEU 664 -8.457 5.042 3.106 655 HD11 LEU 664 HD11 LEU 664 -9.041 2.387 4.400 656 HD12 LEU 664 HD12 LEU 664 -7.495 3.235 4.413 657 HD13 LEU 664 HD13 LEU 664 -8.154 2.625 2.896 658 HD21 LEU 664 HD21 LEU 664 -10.082 3.643 1.865 659 HD22 LEU 664 HD22 LEU 664 -10.812 5.102 2.533 660 HD23 LEU 664 HD23 LEU 664 -11.074 3.544 3.320 661 H GLU 665 H GLU 665 -8.980 7.950 6.722 662 HA GLU 665 HA GLU 665 -10.480 7.252 9.019 663 HB2 GLU 665 HB2 GLU 665 -8.292 8.987 8.343 664 HB3 GLU 665 HB3 GLU 665 -9.416 9.857 9.371 665 HG2 GLU 665 HG2 GLU 665 -8.260 7.159 10.052 666 HG3 GLU 665 HG3 GLU 665 -7.560 8.692 10.569 667 H GLU 666 H GLU 666 -11.122 9.449 6.416 668 HA GLU 666 HA GLU 666 -13.141 11.014 7.701 669 HB2 GLU 666 HB2 GLU 666 -12.494 10.488 4.797 670 HB3 GLU 666 HB3 GLU 666 -13.792 11.556 5.306 671 HG2 GLU 666 HG2 GLU 666 -12.182 12.989 6.447 672 HG3 GLU 666 HG3 GLU 666 -10.876 11.912 5.972 673 H LYS 667 H LYS 667 -13.042 7.864 6.288 674 HA LYS 667 HA LYS 667 -15.924 7.564 6.073 675 HB2 LYS 667 HB2 LYS 667 -13.884 5.353 5.930 676 HB3 LYS 667 HB3 LYS 667 -15.516 5.373 5.286 677 HG2 LYS 667 HG2 LYS 667 -13.280 7.117 4.274 678 HG3 LYS 667 HG3 LYS 667 -13.750 5.574 3.562 679 HD2 LYS 667 HD2 LYS 667 -15.587 6.437 2.573 680 HD3 LYS 667 HD3 LYS 667 -15.949 7.497 3.924 681 HE2 LYS 667 HE2 LYS 667 -14.263 9.080 3.168 682 HE3 LYS 667 HE3 LYS 667 -13.823 7.985 1.863 683 HZ1 LYS 667 HZ1 LYS 667 -16.434 9.360 2.173 684 HZ2 LYS 667 HZ2 LYS 667 -16.058 8.258 0.947 685 HZ3 LYS 667 HZ3 LYS 667 -15.235 9.733 1.039 686 H ARG 668 H ARG 668 -13.521 7.232 8.470 687 HA ARG 668 HA ARG 668 -14.854 5.219 10.064 688 HB2 ARG 668 HB2 ARG 668 -12.420 6.950 10.500 689 HB3 ARG 668 HB3 ARG 668 -13.030 5.855 11.730 690 HG2 ARG 668 HG2 ARG 668 -12.703 3.974 10.215 691 HG3 ARG 668 HG3 ARG 668 -12.078 5.067 8.984 692 HD2 ARG 668 HD2 ARG 668 -10.231 5.680 10.423 693 HD3 ARG 668 HD3 ARG 668 -10.873 4.679 11.725 694 HE ARG 668 HE ARG 668 -10.497 3.034 9.507 695 HH11 ARG 668 HH11 ARG 668 -8.488 4.898 11.705 696 HH12 ARG 668 HH12 ARG 668 -7.114 3.861 11.513 697 HH21 ARG 668 HH21 ARG 668 -8.686 1.692 9.270 698 HH22 ARG 668 HH22 ARG 668 -7.228 2.048 10.134 699 H ARG 669 H ARG 669 -15.075 8.606 9.680 700 HA ARG 669 HA ARG 669 -16.064 9.133 12.373 701 HB2 ARG 669 HB2 ARG 669 -15.580 10.916 9.982 702 HB3 ARG 669 HB3 ARG 669 -16.244 11.492 11.497 703 HG2 ARG 669 HG2 ARG 669 -14.202 10.887 12.660 704 HG3 ARG 669 HG3 ARG 669 -13.538 10.212 11.170 705 HD2 ARG 669 HD2 ARG 669 -13.722 12.447 10.123 706 HD3 ARG 669 HD3 ARG 669 -14.262 13.080 11.676 707 HE ARG 669 HE ARG 669 -11.880 11.892 12.247 708 HH11 ARG 669 HH11 ARG 669 -12.831 14.366 9.939 709 HH12 ARG 669 HH12 ARG 669 -11.280 15.133 9.950 710 HH21 ARG 669 HH21 ARG 669 -9.859 12.913 12.243 711 HH22 ARG 669 HH22 ARG 669 -9.598 14.309 11.253 712 H SER 670 H SER 670 -17.221 9.076 9.036 713 HA SER 670 HA SER 670 -19.876 9.965 9.714 714 HB2 SER 670 HB2 SER 670 -20.360 9.750 7.345 715 HB3 SER 670 HB3 SER 670 -18.810 10.557 7.572 716 HG SER 670 HG SER 670 -18.423 7.910 7.416 717 H ARG 671 H ARG 671 -18.323 6.878 9.431 718 HA ARG 671 HA ARG 671 -20.851 5.449 9.170 719 HB2 ARG 671 HB2 ARG 671 -18.011 4.461 9.197 720 HB3 ARG 671 HB3 ARG 671 -19.421 3.428 9.020 721 HG2 ARG 671 HG2 ARG 671 -20.008 4.648 6.955 722 HG3 ARG 671 HG3 ARG 671 -18.541 5.603 7.133 723 HD2 ARG 671 HD2 ARG 671 -18.102 3.872 5.619 724 HD3 ARG 671 HD3 ARG 671 -17.234 3.505 7.108 725 HE ARG 671 HE ARG 671 -19.850 2.262 6.713 726 HH11 ARG 671 HH11 ARG 671 -16.358 1.861 6.703 727 HH12 ARG 671 HH12 ARG 671 -16.444 0.132 6.779 728 HH21 ARG 671 HH21 ARG 671 -19.933 0.000 6.814 729 HH22 ARG 671 HH22 ARG 671 -18.465 -0.918 6.840 730 H LEU 672 H LEU 672 -18.922 6.635 11.613 731 HA LEU 672 HA LEU 672 -20.045 4.753 13.578 732 HB2 LEU 672 HB2 LEU 672 -17.460 6.309 13.770 733 HB3 LEU 672 HB3 LEU 672 -18.143 5.357 15.069 734 HG LEU 672 HG LEU 672 -17.115 4.295 12.429 735 HD11 LEU 672 HD11 LEU 672 -15.394 3.212 13.762 736 HD12 LEU 672 HD12 LEU 672 -16.039 3.954 15.225 737 HD13 LEU 672 HD13 LEU 672 -15.334 4.963 13.961 738 HD21 LEU 672 HD21 LEU 672 -17.534 2.077 13.390 739 HD22 LEU 672 HD22 LEU 672 -19.022 2.999 13.174 740 HD23 LEU 672 HD23 LEU 672 -18.310 2.836 14.780 741 H1 GLY 519 H1 GLY 519 11.415 14.094 14.173 742 H2 GLY 519 H2 GLY 519 10.893 13.846 15.763 743 H3 GLY 519 H3 GLY 519 12.543 13.987 15.428 744 HA2 GLY 519 HA2 GLY 519 10.518 16.134 15.109 745 HA3 GLY 519 HA3 GLY 519 11.690 16.023 16.413 746 H SER 520 H SER 520 11.217 16.650 13.008 747 HA SER 520 HA SER 520 13.938 17.771 12.855 748 HB2 SER 520 HB2 SER 520 13.768 15.958 11.292 749 HB3 SER 520 HB3 SER 520 12.215 16.541 10.693 750 HG SER 520 HG SER 520 14.071 18.467 10.450 751 HA PRO 521 HA PRO 521 11.763 21.695 12.404 752 HB2 PRO 521 HB2 PRO 521 13.933 23.277 11.932 753 HB3 PRO 521 HB3 PRO 521 13.509 22.672 13.532 754 HG2 PRO 521 HG2 PRO 521 15.514 21.676 11.668 755 HG3 PRO 521 HG3 PRO 521 15.607 21.810 13.293 756 HD2 PRO 521 HD2 PRO 521 15.185 19.569 12.097 757 HD3 PRO 521 HD3 PRO 521 14.676 19.867 13.620 758 H GLY 522 H GLY 522 10.817 22.751 10.751 759 HA2 GLY 522 HA2 GLY 522 11.041 23.879 8.583 760 HA3 GLY 522 HA3 GLY 522 12.025 22.520 8.062 761 H TYR 523 H TYR 523 9.337 23.817 7.251 762 HA TYR 523 HA TYR 523 7.738 21.343 7.185 763 HB2 TYR 523 HB2 TYR 523 6.826 24.223 6.931 764 HB3 TYR 523 HB3 TYR 523 5.774 22.821 6.811 765 HD1 TYR 523 HD1 TYR 523 7.497 25.095 9.054 766 HD2 TYR 523 HD2 TYR 523 5.348 21.425 8.841 767 HE1 TYR 523 HE1 TYR 523 7.139 25.165 11.486 768 HE2 TYR 523 HE2 TYR 523 4.985 21.492 11.271 769 HH TYR 523 HH TYR 523 6.012 22.505 13.259 770 HA PRO 524 HA PRO 524 9.102 21.646 2.773 771 HB2 PRO 524 HB2 PRO 524 7.983 18.892 2.769 772 HB3 PRO 524 HB3 PRO 524 9.534 19.471 2.150 773 HG2 PRO 524 HG2 PRO 524 9.495 18.137 4.375 774 HG3 PRO 524 HG3 PRO 524 10.425 19.478 4.308 775 HD2 PRO 524 HD2 PRO 524 7.736 19.302 5.492 776 HD3 PRO 524 HD3 PRO 524 9.052 19.968 6.194 777 H ASN 525 H ASN 525 7.958 22.139 0.974 778 HA ASN 525 HA ASN 525 5.074 21.570 0.946 779 HB2 ASN 525 HB2 ASN 525 6.373 24.194 0.161 780 HB3 ASN 525 HB3 ASN 525 4.673 23.808 -0.065 781 HD21 ASN 525 HD21 ASN 525 7.051 24.967 2.068 782 HD22 ASN 525 HD22 ASN 525 6.043 25.187 3.455 783 H GLY 526 H GLY 526 4.215 20.883 -0.934 784 HA2 GLY 526 HA2 GLY 526 4.381 21.133 -3.448 785 HA3 GLY 526 HA3 GLY 526 6.053 20.639 -3.235 786 H LEU 527 H LEU 527 3.363 19.266 -1.433 787 HA LEU 527 HA LEU 527 3.619 16.774 -2.971 788 HB2 LEU 527 HB2 LEU 527 3.280 17.075 -0.000 789 HB3 LEU 527 HB3 LEU 527 3.172 15.548 -0.841 790 HG LEU 527 HG LEU 527 5.667 17.258 -0.632 791 HD11 LEU 527 HD11 LEU 527 4.908 14.735 0.815 792 HD12 LEU 527 HD12 LEU 527 5.013 16.352 1.510 793 HD13 LEU 527 HD13 LEU 527 6.467 15.553 0.912 794 HD21 LEU 527 HD21 LEU 527 6.842 15.234 -1.449 795 HD22 LEU 527 HD22 LEU 527 5.757 15.951 -2.647 796 HD23 LEU 527 HD23 LEU 527 5.272 14.493 -1.774 797 H LEU 528 H LEU 528 1.678 19.079 -3.061 798 HA LEU 528 HA LEU 528 -0.768 18.261 -1.885 799 HB2 LEU 528 HB2 LEU 528 -0.240 20.216 -4.133 800 HB3 LEU 528 HB3 LEU 528 -1.764 20.058 -3.290 801 HG LEU 528 HG LEU 528 0.836 20.983 -2.040 802 HD11 LEU 528 HD11 LEU 528 -0.280 23.165 -1.928 803 HD12 LEU 528 HD12 LEU 528 -1.648 22.501 -2.823 804 HD13 LEU 528 HD13 LEU 528 -0.064 22.618 -3.590 805 HD21 LEU 528 HD21 LEU 528 -0.502 21.549 -0.093 806 HD22 LEU 528 HD22 LEU 528 -0.642 19.825 -0.438 807 HD23 LEU 528 HD23 LEU 528 -1.951 20.923 -0.876 808 H SER 529 H SER 529 0.882 16.848 -4.307 809 HA SER 529 HA SER 529 -1.426 15.448 -5.359 810 HB2 SER 529 HB2 SER 529 -1.271 17.319 -6.942 811 HB3 SER 529 HB3 SER 529 0.431 16.964 -7.217 812 HG SER 529 HG SER 529 -1.695 15.923 -8.435 813 H GLY 530 H GLY 530 -0.554 13.673 -4.302 814 HA2 GLY 530 HA2 GLY 530 1.482 12.223 -5.734 815 HA3 GLY 530 HA3 GLY 530 2.013 12.768 -4.150 816 H ASP 531 H ASP 531 -0.369 12.456 -2.715 817 HA ASP 531 HA ASP 531 -0.763 9.541 -2.794 818 HB2 ASP 531 HB2 ASP 531 -0.561 11.398 -0.408 819 HB3 ASP 531 HB3 ASP 531 -1.131 9.738 -0.304 820 H GLU 532 H GLU 532 -2.225 12.286 -3.554 821 HA GLU 532 HA GLU 532 -4.816 11.793 -2.359 822 HB2 GLU 532 HB2 GLU 532 -3.719 14.071 -3.979 823 HB3 GLU 532 HB3 GLU 532 -5.349 14.004 -3.375 824 HG2 GLU 532 HG2 GLU 532 -4.216 13.711 -1.075 825 HG3 GLU 532 HG3 GLU 532 -2.793 14.347 -1.888 826 H ASP 533 H ASP 533 -3.234 10.818 -5.003 827 HA ASP 533 HA ASP 533 -5.336 11.098 -6.983 828 HB2 ASP 533 HB2 ASP 533 -2.581 9.861 -7.048 829 HB3 ASP 533 HB3 ASP 533 -3.694 9.741 -8.404 830 H PHE 534 H PHE 534 -3.964 8.538 -4.944 831 HA PHE 534 HA PHE 534 -5.743 6.551 -6.064 832 HB2 PHE 534 HB2 PHE 534 -3.592 6.408 -3.950 833 HB3 PHE 534 HB3 PHE 534 -4.555 5.028 -4.453 834 HD1 PHE 534 HD1 PHE 534 -1.644 5.157 -4.482 835 HD2 PHE 534 HD2 PHE 534 -4.454 6.155 -7.485 836 HE1 PHE 534 HE1 PHE 534 0.048 4.653 -6.215 837 HE2 PHE 534 HE2 PHE 534 -2.807 5.646 -9.226 838 HZ PHE 534 HZ PHE 534 -0.543 4.894 -8.595 839 H SER 535 H SER 535 -5.846 8.898 -3.680 840 HA SER 535 HA SER 535 -7.414 7.656 -1.672 841 HB2 SER 535 HB2 SER 535 -7.836 9.893 -0.848 842 HB3 SER 535 HB3 SER 535 -6.155 9.789 -1.373 843 HG SER 535 HG SER 535 -8.241 10.782 -3.014 844 H SER 536 H SER 536 -8.203 8.898 -4.796 845 HA SER 536 HA SER 536 -11.059 8.985 -4.301 846 HB2 SER 536 HB2 SER 536 -11.237 9.687 -6.638 847 HB3 SER 536 HB3 SER 536 -10.073 10.657 -5.752 848 HG SER 536 HG SER 536 -9.408 9.877 -7.895 849 H ILE 537 H ILE 537 -8.694 6.778 -5.505 850 HA ILE 537 HA ILE 537 -10.636 5.055 -6.805 851 HB ILE 537 HB ILE 537 -7.673 4.603 -6.346 852 HG12 ILE 537 HG12 ILE 537 -9.042 5.489 -8.905 853 HG13 ILE 537 HG13 ILE 537 -8.180 6.564 -7.819 854 HG21 ILE 537 HG21 ILE 537 -9.540 3.085 -8.173 855 HG22 ILE 537 HG22 ILE 537 -8.834 2.483 -6.672 856 HG23 ILE 537 HG23 ILE 537 -7.795 2.849 -8.049 857 HD11 ILE 537 HD11 ILE 537 -6.814 6.044 -9.739 858 HD12 ILE 537 HD12 ILE 537 -6.987 4.315 -9.440 859 HD13 ILE 537 HD13 ILE 537 -6.095 5.322 -8.299 860 H ALA 538 H ALA 538 -8.949 5.258 -3.745 861 HA ALA 538 HA ALA 538 -9.570 2.554 -3.004 862 HB1 ALA 538 HB1 ALA 538 -8.468 3.046 -0.895 863 HB2 ALA 538 HB2 ALA 538 -8.427 4.761 -1.307 864 HB3 ALA 538 HB3 ALA 538 -7.488 3.603 -2.251 865 H ASP 539 H ASP 539 -11.227 5.417 -2.937 866 HA ASP 539 HA ASP 539 -13.044 4.567 -0.800 867 HB2 ASP 539 HB2 ASP 539 -12.253 6.918 -0.751 868 HB3 ASP 539 HB3 ASP 539 -12.965 7.184 -2.341 869 H MET 540 H MET 540 -12.659 4.551 -4.156 870 HA MET 540 HA MET 540 -15.463 4.031 -4.761 871 HB2 MET 540 HB2 MET 540 -12.957 4.171 -6.424 872 HB3 MET 540 HB3 MET 540 -14.490 3.625 -7.086 873 HG2 MET 540 HG2 MET 540 -15.502 5.775 -6.590 874 HG3 MET 540 HG3 MET 540 -14.009 6.323 -5.836 875 HE1 MET 540 HE1 MET 540 -15.883 5.506 -9.152 876 HE2 MET 540 HE2 MET 540 -14.586 4.316 -9.284 877 HE3 MET 540 HE3 MET 540 -14.630 5.696 -10.378 878 H ASP 541 H ASP 541 -12.488 2.366 -4.162 879 HA ASP 541 HA ASP 541 -13.462 -0.182 -5.174 880 HB2 ASP 541 HB2 ASP 541 -10.801 0.780 -4.159 881 HB3 ASP 541 HB3 ASP 541 -11.127 -0.926 -4.418 882 H PHE 542 H PHE 542 -13.240 1.510 -2.158 883 HA PHE 542 HA PHE 542 -13.115 -0.785 -0.437 884 HB2 PHE 542 HB2 PHE 542 -12.371 1.430 0.315 885 HB3 PHE 542 HB3 PHE 542 -14.004 2.054 0.129 886 HD1 PHE 542 HD1 PHE 542 -11.786 -0.005 2.187 887 HD2 PHE 542 HD2 PHE 542 -15.729 1.545 1.746 888 HE1 PHE 542 HE1 PHE 542 -12.285 -0.620 4.515 889 HE2 PHE 542 HE2 PHE 542 -16.231 0.935 4.076 890 HZ PHE 542 HZ PHE 542 -14.509 -0.148 5.463 891 H SER 543 H SER 543 -15.667 0.910 -2.076 892 HA SER 543 HA SER 543 -17.821 -0.205 -0.511 893 HB2 SER 543 HB2 SER 543 -19.289 0.925 -2.098 894 HB3 SER 543 HB3 SER 543 -18.009 2.014 -1.576 895 HG SER 543 HG SER 543 -17.523 0.507 -3.860 896 H ALA 544 H ALA 544 -16.029 -1.087 -3.348 897 HA ALA 544 HA ALA 544 -17.972 -3.009 -4.311 898 HB1 ALA 544 HB1 ALA 544 -15.132 -2.522 -5.203 899 HB2 ALA 544 HB2 ALA 544 -16.569 -1.762 -5.885 900 HB3 ALA 544 HB3 ALA 544 -16.333 -3.502 -6.041 901 H LEU 545 H LEU 545 -15.269 -3.000 -2.154 902 HA LEU 545 HA LEU 545 -14.749 -5.832 -2.307 903 HB2 LEU 545 HB2 LEU 545 -13.720 -3.646 -0.518 904 HB3 LEU 545 HB3 LEU 545 -13.223 -5.312 -0.376 905 HG LEU 545 HG LEU 545 -12.861 -3.777 -2.932 906 HD11 LEU 545 HD11 LEU 545 -10.945 -4.021 -0.620 907 HD12 LEU 545 HD12 LEU 545 -11.647 -2.534 -1.265 908 HD13 LEU 545 HD13 LEU 545 -10.509 -3.465 -2.234 909 HD21 LEU 545 HD21 LEU 545 -12.718 -6.207 -3.119 910 HD22 LEU 545 HD22 LEU 545 -11.525 -6.246 -1.821 911 HD23 LEU 545 HD23 LEU 545 -11.130 -5.470 -3.353 912 H LEU 546 H LEU 546 -16.918 -3.826 -0.544 913 HA LEU 546 HA LEU 546 -17.249 -5.568 1.726 914 HB2 LEU 546 HB2 LEU 546 -18.933 -3.295 0.686 915 HB3 LEU 546 HB3 LEU 546 -19.317 -4.182 2.138 916 HG LEU 546 HG LEU 546 -16.777 -2.602 1.743 917 HD11 LEU 546 HD11 LEU 546 -18.719 -1.126 1.692 918 HD12 LEU 546 HD12 LEU 546 -17.809 -0.917 3.186 919 HD13 LEU 546 HD13 LEU 546 -19.312 -1.840 3.190 920 HD21 LEU 546 HD21 LEU 546 -16.555 -4.350 3.404 921 HD22 LEU 546 HD22 LEU 546 -18.049 -3.835 4.182 922 HD23 LEU 546 HD23 LEU 546 -16.635 -2.781 4.203 923 H SER 547 H SER 547 -19.014 -4.933 -1.243 924 HA SER 547 HA SER 547 -20.976 -6.992 -0.840 925 HB2 SER 547 HB2 SER 547 -21.718 -6.456 -3.108 926 HB3 SER 547 HB3 SER 547 -21.460 -4.977 -2.185 927 HG SER 547 HG SER 547 -19.217 -5.778 -3.505 928 H GLN 548 H GLN 548 -17.752 -6.996 -1.891 929 HA GLN 548 HA GLN 548 -17.864 -9.087 -3.831 930 HB2 GLN 548 HB2 GLN 548 -16.111 -7.481 -4.006 931 HB3 GLN 548 HB3 GLN 548 -15.604 -7.774 -2.351 932 HG2 GLN 548 HG2 GLN 548 -14.041 -8.741 -3.894 933 HG3 GLN 548 HG3 GLN 548 -14.843 -10.005 -2.973 934 HE21 GLN 548 HE21 GLN 548 -13.981 -11.335 -4.760 935 HE22 GLN 548 HE22 GLN 548 -14.927 -11.494 -6.195 936 H ILE 549 H ILE 549 -17.508 -8.977 -0.418 937 HA ILE 549 HA ILE 549 -16.846 -11.837 -0.309 938 HB ILE 549 HB ILE 549 -16.250 -11.493 2.079 939 HG12 ILE 549 HG12 ILE 549 -16.403 -8.522 1.498 940 HG13 ILE 549 HG13 ILE 549 -17.599 -9.394 2.447 941 HG21 ILE 549 HG21 ILE 549 -14.118 -10.355 1.637 942 HG22 ILE 549 HG22 ILE 549 -14.751 -9.812 0.083 943 HG23 ILE 549 HG23 ILE 549 -14.533 -11.535 0.392 944 HD11 ILE 549 HD11 ILE 549 -15.863 -9.962 4.082 945 HD12 ILE 549 HD12 ILE 549 -16.047 -8.219 3.882 946 HD13 ILE 549 HD13 ILE 549 -14.687 -9.055 3.133 947 H SER 550 H SER 550 -19.400 -9.636 0.263 948 HA SER 550 HA SER 550 -20.842 -11.461 2.035 949 HB2 SER 550 HB2 SER 550 -22.492 -9.628 2.223 950 HB3 SER 550 HB3 SER 550 -20.865 -9.082 2.622 951 HG SER 550 HG SER 550 -20.887 -7.794 0.948 952 H SER 551 H SER 551 -21.044 -10.093 -1.222 953 HA SER 551 HA SER 551 -23.244 -11.960 -1.822 954 HB2 SER 551 HB2 SER 551 -22.636 -9.294 -3.128 955 HB3 SER 551 HB3 SER 551 -23.915 -10.398 -3.630 956 HG SER 551 HG SER 551 -24.892 -8.990 -2.278 Start of MODEL 3 1 H1 GLY 586 H1 GLY 586 21.883 -5.234 -6.147 2 H2 GLY 586 H2 GLY 586 21.435 -3.748 -6.821 3 H3 GLY 586 H3 GLY 586 22.074 -3.807 -5.256 4 HA2 GLY 586 HA2 GLY 586 23.531 -4.492 -7.752 5 HA3 GLY 586 HA3 GLY 586 23.725 -3.007 -6.832 6 H VAL 587 H VAL 587 24.718 -3.086 -4.770 7 HA VAL 587 HA VAL 587 26.647 -5.262 -4.498 8 HB VAL 587 HB VAL 587 27.767 -3.840 -2.821 9 HG11 VAL 587 HG11 VAL 587 28.376 -3.520 -5.164 10 HG12 VAL 587 HG12 VAL 587 28.466 -1.995 -4.281 11 HG13 VAL 587 HG13 VAL 587 27.096 -2.320 -5.344 12 HG21 VAL 587 HG21 VAL 587 27.003 -1.544 -2.396 13 HG22 VAL 587 HG22 VAL 587 25.825 -2.735 -1.846 14 HG23 VAL 587 HG23 VAL 587 25.552 -1.857 -3.350 15 H ARG 588 H ARG 588 27.046 -6.235 -2.358 16 HA ARG 588 HA ARG 588 24.487 -7.009 -1.191 17 HB2 ARG 588 HB2 ARG 588 25.936 -8.806 -1.992 18 HB3 ARG 588 HB3 ARG 588 27.226 -8.264 -0.930 19 HG2 ARG 588 HG2 ARG 588 25.960 -8.876 1.018 20 HG3 ARG 588 HG3 ARG 588 24.548 -9.254 0.032 21 HD2 ARG 588 HD2 ARG 588 25.550 -11.327 0.569 22 HD3 ARG 588 HD3 ARG 588 25.966 -11.004 -1.113 23 HE ARG 588 HE ARG 588 28.182 -10.813 -0.513 24 HH11 ARG 588 HH11 ARG 588 26.249 -10.938 2.420 25 HH12 ARG 588 HH12 ARG 588 27.626 -11.133 3.453 26 HH21 ARG 588 HH21 ARG 588 29.964 -11.069 0.860 27 HH22 ARG 588 HH22 ARG 588 29.726 -11.203 2.570 28 H LYS 589 H LYS 589 23.814 -6.318 0.681 29 HA LYS 589 HA LYS 589 25.735 -5.402 2.710 30 HB2 LYS 589 HB2 LYS 589 23.175 -4.002 1.894 31 HB3 LYS 589 HB3 LYS 589 24.141 -3.566 3.291 32 HG2 LYS 589 HG2 LYS 589 26.004 -2.973 1.822 33 HG3 LYS 589 HG3 LYS 589 25.047 -3.425 0.419 34 HD2 LYS 589 HD2 LYS 589 23.433 -1.647 0.963 35 HD3 LYS 589 HD3 LYS 589 24.418 -1.178 2.352 36 HE2 LYS 589 HE2 LYS 589 26.283 -0.663 0.857 37 HE3 LYS 589 HE3 LYS 589 25.323 -1.171 -0.531 38 HZ1 LYS 589 HZ1 LYS 589 25.325 1.224 -0.303 39 HZ2 LYS 589 HZ2 LYS 589 24.705 1.109 1.266 40 HZ3 LYS 589 HZ3 LYS 589 23.766 0.619 -0.051 41 H GLY 590 H GLY 590 24.031 -4.812 4.788 42 HA2 GLY 590 HA2 GLY 590 23.473 -7.372 5.842 43 HA3 GLY 590 HA3 GLY 590 23.014 -5.846 6.571 44 H TRP 591 H TRP 591 21.307 -4.951 4.427 45 HA TRP 591 HA TRP 591 18.884 -6.177 5.272 46 HB2 TRP 591 HB2 TRP 591 17.755 -4.609 3.817 47 HB3 TRP 591 HB3 TRP 591 19.030 -3.786 4.694 48 HD1 TRP 591 HD1 TRP 591 21.140 -5.101 2.231 49 HE1 TRP 591 HE1 TRP 591 21.325 -3.642 0.122 50 HE3 TRP 591 HE3 TRP 591 16.967 -2.200 2.867 51 HZ2 TRP 591 HZ2 TRP 591 19.904 -1.542 -1.108 52 HZ3 TRP 591 HZ3 TRP 591 16.460 -0.486 1.177 53 HH2 TRP 591 HH2 TRP 591 17.900 -0.165 -0.769 54 H HIS 592 H HIS 592 20.825 -6.536 2.359 55 HA HIS 592 HA HIS 592 18.921 -8.070 0.894 56 HB2 HIS 592 HB2 HIS 592 20.859 -6.803 -0.096 57 HB3 HIS 592 HB3 HIS 592 21.936 -8.030 0.555 58 HD1 HIS 592 HD1 HIS 592 21.811 -10.412 -0.556 59 HD2 HIS 592 HD2 HIS 592 19.587 -7.470 -2.471 60 HE1 HIS 592 HE1 HIS 592 21.249 -11.358 -2.817 61 HE2 HIS 592 HE2 HIS 592 19.850 -9.586 -3.934 62 H GLU 593 H GLU 593 20.832 -8.836 3.586 63 HA GLU 593 HA GLU 593 21.218 -11.637 2.996 64 HB2 GLU 593 HB2 GLU 593 21.780 -9.937 5.404 65 HB3 GLU 593 HB3 GLU 593 21.977 -11.683 5.442 66 HG2 GLU 593 HG2 GLU 593 23.377 -9.817 3.538 67 HG3 GLU 593 HG3 GLU 593 24.070 -10.480 5.014 68 H HIS 594 H HIS 594 18.810 -9.696 4.604 69 HA HIS 594 HA HIS 594 17.504 -12.146 5.573 70 HB2 HIS 594 HB2 HIS 594 17.175 -9.336 6.618 71 HB3 HIS 594 HB3 HIS 594 16.249 -10.719 7.179 72 HD1 HIS 594 HD1 HIS 594 17.917 -12.710 8.202 73 HD2 HIS 594 HD2 HIS 594 19.316 -8.801 8.144 74 HE1 HIS 594 HE1 HIS 594 19.748 -12.628 9.921 75 HE2 HIS 594 HE2 HIS 594 20.685 -10.296 9.748 76 H VAL 595 H VAL 595 17.087 -9.407 3.453 77 HA VAL 595 HA VAL 595 14.229 -9.752 3.229 78 HB VAL 595 HB VAL 595 16.138 -8.072 1.576 79 HG11 VAL 595 HG11 VAL 595 14.271 -8.732 0.140 80 HG12 VAL 595 HG12 VAL 595 14.155 -7.024 0.562 81 HG13 VAL 595 HG13 VAL 595 13.122 -8.204 1.370 82 HG21 VAL 595 HG21 VAL 595 14.801 -6.218 2.658 83 HG22 VAL 595 HG22 VAL 595 15.869 -7.133 3.719 84 HG23 VAL 595 HG23 VAL 595 14.130 -7.455 3.728 85 H THR 596 H THR 596 13.198 -11.148 1.999 86 HA THR 596 HA THR 596 14.661 -12.592 -0.113 87 HB THR 596 HB THR 596 13.026 -14.435 0.188 88 HG1 THR 596 HG1 THR 596 11.831 -14.197 2.331 89 HG21 THR 596 HG21 THR 596 13.819 -15.236 2.368 90 HG22 THR 596 HG22 THR 596 14.419 -13.621 2.744 91 HG23 THR 596 HG23 THR 596 15.130 -14.541 1.417 92 H GLN 597 H GLN 597 12.944 -13.636 -1.694 93 HA GLN 597 HA GLN 597 11.278 -11.661 -2.897 94 HB2 GLN 597 HB2 GLN 597 11.477 -14.656 -3.322 95 HB3 GLN 597 HB3 GLN 597 10.581 -13.572 -4.360 96 HG2 GLN 597 HG2 GLN 597 12.664 -12.490 -5.002 97 HG3 GLN 597 HG3 GLN 597 13.572 -13.573 -3.954 98 HE21 GLN 597 HE21 GLN 597 10.921 -15.083 -5.456 99 HE22 GLN 597 HE22 GLN 597 11.761 -15.858 -6.747 100 H ASP 598 H ASP 598 10.896 -13.787 -0.240 101 HA ASP 598 HA ASP 598 8.015 -13.980 -0.371 102 HB2 ASP 598 HB2 ASP 598 10.063 -14.876 1.658 103 HB3 ASP 598 HB3 ASP 598 8.337 -15.033 1.931 104 H LEU 599 H LEU 599 10.402 -12.133 1.572 105 HA LEU 599 HA LEU 599 8.543 -10.918 3.288 106 HB2 LEU 599 HB2 LEU 599 10.946 -10.843 3.736 107 HB3 LEU 599 HB3 LEU 599 11.203 -9.826 2.337 108 HG LEU 599 HG LEU 599 9.894 -8.020 3.447 109 HD11 LEU 599 HD11 LEU 599 9.482 -8.299 5.896 110 HD12 LEU 599 HD12 LEU 599 9.845 -10.018 5.704 111 HD13 LEU 599 HD13 LEU 599 8.463 -9.297 4.866 112 HD21 LEU 599 HD21 LEU 599 11.998 -8.924 5.385 113 HD22 LEU 599 HD22 LEU 599 11.575 -7.284 4.904 114 HD23 LEU 599 HD23 LEU 599 12.440 -8.333 3.788 115 H ARG 600 H ARG 600 9.813 -9.809 0.154 116 HA ARG 600 HA ARG 600 8.658 -7.260 0.106 117 HB2 ARG 600 HB2 ARG 600 9.173 -9.086 -2.260 118 HB3 ARG 600 HB3 ARG 600 8.935 -7.347 -2.341 119 HG2 ARG 600 HG2 ARG 600 10.997 -6.922 -1.258 120 HG3 ARG 600 HG3 ARG 600 11.161 -8.614 -0.786 121 HD2 ARG 600 HD2 ARG 600 12.640 -8.002 -2.668 122 HD3 ARG 600 HD3 ARG 600 11.488 -9.267 -3.091 123 HE ARG 600 HE ARG 600 10.506 -6.681 -3.773 124 HH11 ARG 600 HH11 ARG 600 12.688 -9.195 -4.900 125 HH12 ARG 600 HH12 ARG 600 12.573 -8.709 -6.558 126 HH21 ARG 600 HH21 ARG 600 10.374 -6.064 -5.950 127 HH22 ARG 600 HH22 ARG 600 11.265 -6.941 -7.150 128 H SER 601 H SER 601 7.295 -10.375 -0.606 129 HA SER 601 HA SER 601 4.816 -9.374 -1.705 130 HB2 SER 601 HB2 SER 601 4.142 -11.694 -1.798 131 HB3 SER 601 HB3 SER 601 5.838 -11.619 -2.264 132 HG SER 601 HG SER 601 6.271 -12.111 0.026 133 H HIS 602 H HIS 602 6.058 -10.179 1.445 134 HA HIS 602 HA HIS 602 3.478 -10.218 2.766 135 HB2 HIS 602 HB2 HIS 602 6.311 -10.306 3.830 136 HB3 HIS 602 HB3 HIS 602 4.878 -10.429 4.839 137 HD1 HIS 602 HD1 HIS 602 6.848 -12.713 4.910 138 HD2 HIS 602 HD2 HIS 602 3.663 -12.563 2.244 139 HE1 HIS 602 HE1 HIS 602 6.409 -15.101 4.252 140 HE2 HIS 602 HE2 HIS 602 4.416 -14.993 2.714 141 H LEU 603 H LEU 603 5.888 -7.914 1.936 142 HA LEU 603 HA LEU 603 5.131 -5.827 3.796 143 HB2 LEU 603 HB2 LEU 603 6.797 -5.874 1.269 144 HB3 LEU 603 HB3 LEU 603 6.486 -4.422 2.175 145 HG LEU 603 HG LEU 603 8.129 -6.791 3.080 146 HD11 LEU 603 HD11 LEU 603 8.837 -3.956 2.436 147 HD12 LEU 603 HD12 LEU 603 9.332 -5.416 1.571 148 HD13 LEU 603 HD13 LEU 603 9.927 -5.113 3.209 149 HD21 LEU 603 HD21 LEU 603 8.728 -5.448 5.050 150 HD22 LEU 603 HD22 LEU 603 7.047 -5.981 5.045 151 HD23 LEU 603 HD23 LEU 603 7.448 -4.314 4.627 152 H VAL 604 H VAL 604 4.493 -6.685 0.437 153 HA VAL 604 HA VAL 604 2.621 -4.636 -0.188 154 HB VAL 604 HB VAL 604 3.250 -7.342 -1.408 155 HG11 VAL 604 HG11 VAL 604 1.693 -7.138 -3.037 156 HG12 VAL 604 HG12 VAL 604 1.783 -5.383 -3.045 157 HG13 VAL 604 HG13 VAL 604 0.838 -6.209 -1.805 158 HG21 VAL 604 HG21 VAL 604 4.366 -6.084 -3.106 159 HG22 VAL 604 HG22 VAL 604 4.942 -5.521 -1.534 160 HG23 VAL 604 HG23 VAL 604 3.760 -4.560 -2.439 161 H HIS 605 H HIS 605 2.357 -7.903 1.181 162 HA HIS 605 HA HIS 605 -0.511 -7.920 1.300 163 HB2 HIS 605 HB2 HIS 605 0.882 -9.999 1.260 164 HB3 HIS 605 HB3 HIS 605 1.447 -9.608 2.878 165 HD1 HIS 605 HD1 HIS 605 -1.953 -10.069 1.212 166 HD2 HIS 605 HD2 HIS 605 0.032 -10.934 4.759 167 HE1 HIS 605 HE1 HIS 605 -3.610 -11.335 2.619 168 HE2 HIS 605 HE2 HIS 605 -2.358 -11.921 4.724 169 H LYS 606 H LYS 606 1.977 -6.496 3.131 170 HA LYS 606 HA LYS 606 0.465 -6.095 5.581 171 HB2 LYS 606 HB2 LYS 606 2.911 -6.296 5.663 172 HB3 LYS 606 HB3 LYS 606 3.074 -4.935 4.561 173 HG2 LYS 606 HG2 LYS 606 2.184 -3.432 6.241 174 HG3 LYS 606 HG3 LYS 606 1.943 -4.785 7.350 175 HD2 LYS 606 HD2 LYS 606 4.356 -5.224 7.325 176 HD3 LYS 606 HD3 LYS 606 4.584 -3.862 6.233 177 HE2 LYS 606 HE2 LYS 606 3.683 -2.349 7.928 178 HE3 LYS 606 HE3 LYS 606 3.456 -3.717 9.004 179 HZ1 LYS 606 HZ1 LYS 606 5.837 -4.075 9.023 180 HZ2 LYS 606 HZ2 LYS 606 5.476 -2.501 9.524 181 HZ3 LYS 606 HZ3 LYS 606 6.065 -2.776 7.964 182 H LEU 607 H LEU 607 0.921 -4.685 2.527 183 HA LEU 607 HA LEU 607 0.131 -1.985 3.184 184 HB2 LEU 607 HB2 LEU 607 1.896 -2.595 1.568 185 HB3 LEU 607 HB3 LEU 607 0.678 -3.303 0.528 186 HG LEU 607 HG LEU 607 -0.174 -1.222 -0.112 187 HD11 LEU 607 HD11 LEU 607 -0.437 -0.476 2.257 188 HD12 LEU 607 HD12 LEU 607 0.035 0.788 1.123 189 HD13 LEU 607 HD13 LEU 607 1.237 0.074 2.194 190 HD21 LEU 607 HD21 LEU 607 2.112 -1.464 -0.975 191 HD22 LEU 607 HD22 LEU 607 2.736 -0.650 0.463 192 HD23 LEU 607 HD23 LEU 607 1.712 0.228 -0.673 193 H VAL 608 H VAL 608 -1.170 -4.756 1.389 194 HA VAL 608 HA VAL 608 -3.585 -3.486 0.528 195 HB VAL 608 HB VAL 608 -2.736 -6.404 0.633 196 HG11 VAL 608 HG11 VAL 608 -5.168 -6.352 0.748 197 HG12 VAL 608 HG12 VAL 608 -4.637 -6.907 -0.841 198 HG13 VAL 608 HG13 VAL 608 -5.223 -5.259 -0.633 199 HG21 VAL 608 HG21 VAL 608 -3.103 -4.563 -1.730 200 HG22 VAL 608 HG22 VAL 608 -2.431 -6.195 -1.739 201 HG23 VAL 608 HG23 VAL 608 -1.554 -4.885 -0.949 202 H GLN 609 H GLN 609 -2.636 -5.090 3.480 203 HA GLN 609 HA GLN 609 -5.349 -5.527 4.375 204 HB2 GLN 609 HB2 GLN 609 -2.724 -5.990 5.759 205 HB3 GLN 609 HB3 GLN 609 -4.287 -6.313 6.497 206 HG2 GLN 609 HG2 GLN 609 -3.198 -7.606 4.014 207 HG3 GLN 609 HG3 GLN 609 -3.265 -8.300 5.628 208 HE21 GLN 609 HE21 GLN 609 -4.605 -8.688 2.808 209 HE22 GLN 609 HE22 GLN 609 -6.249 -9.019 3.226 210 H ALA 610 H ALA 610 -2.854 -3.150 4.750 211 HA ALA 610 HA ALA 610 -4.093 -1.694 6.882 212 HB1 ALA 610 HB1 ALA 610 -2.466 0.059 6.292 213 HB2 ALA 610 HB2 ALA 610 -2.006 -0.876 4.868 214 HB3 ALA 610 HB3 ALA 610 -1.710 -1.524 6.481 215 H ILE 611 H ILE 611 -4.359 -1.726 3.396 216 HA ILE 611 HA ILE 611 -5.998 0.690 3.352 217 HB ILE 611 HB ILE 611 -5.259 -1.098 1.003 218 HG12 ILE 611 HG12 ILE 611 -4.000 1.546 1.745 219 HG13 ILE 611 HG13 ILE 611 -3.307 0.010 2.211 220 HG21 ILE 611 HG21 ILE 611 -5.845 0.908 -0.336 221 HG22 ILE 611 HG22 ILE 611 -6.385 1.699 1.141 222 HG23 ILE 611 HG23 ILE 611 -7.223 0.261 0.557 223 HD11 ILE 611 HD11 ILE 611 -3.109 -0.568 -0.208 224 HD12 ILE 611 HD12 ILE 611 -2.148 0.826 0.275 225 HD13 ILE 611 HD13 ILE 611 -3.668 1.063 -0.584 226 H PHE 612 H PHE 612 -6.306 -2.809 2.728 227 HA PHE 612 HA PHE 612 -9.152 -2.601 3.401 228 HB2 PHE 612 HB2 PHE 612 -9.016 -2.865 0.964 229 HB3 PHE 612 HB3 PHE 612 -7.986 -4.275 1.151 230 HD1 PHE 612 HD1 PHE 612 -11.388 -2.974 1.707 231 HD2 PHE 612 HD2 PHE 612 -8.919 -6.423 1.471 232 HE1 PHE 612 HE1 PHE 612 -13.395 -4.404 1.701 233 HE2 PHE 612 HE2 PHE 612 -10.914 -7.867 1.464 234 HZ PHE 612 HZ PHE 612 -13.158 -6.854 1.576 235 HA PRO 613 HA PRO 613 -7.461 -5.903 6.149 236 HB2 PRO 613 HB2 PRO 613 -9.173 -5.526 8.211 237 HB3 PRO 613 HB3 PRO 613 -7.716 -4.559 8.011 238 HG2 PRO 613 HG2 PRO 613 -10.481 -3.843 7.420 239 HG3 PRO 613 HG3 PRO 613 -9.287 -2.898 8.008 240 HD2 PRO 613 HD2 PRO 613 -9.987 -2.885 5.416 241 HD3 PRO 613 HD3 PRO 613 -8.514 -2.400 5.928 242 H THR 614 H THR 614 -8.111 -7.984 6.073 243 HA THR 614 HA THR 614 -10.912 -8.658 6.071 244 HB THR 614 HB THR 614 -10.858 -8.505 3.770 245 HG1 THR 614 HG1 THR 614 -10.839 -10.973 4.833 246 HG21 THR 614 HG21 THR 614 -8.189 -9.910 3.735 247 HG22 THR 614 HG22 THR 614 -8.441 -8.183 3.483 248 HG23 THR 614 HG23 THR 614 -9.077 -9.346 2.318 249 HA PRO 615 HA PRO 615 -9.446 -12.098 8.646 250 HB2 PRO 615 HB2 PRO 615 -12.091 -13.054 7.693 251 HB3 PRO 615 HB3 PRO 615 -11.403 -13.130 9.302 252 HG2 PRO 615 HG2 PRO 615 -13.154 -11.308 8.786 253 HG3 PRO 615 HG3 PRO 615 -11.831 -10.883 9.643 254 HD2 PRO 615 HD2 PRO 615 -12.356 -10.317 6.847 255 HD3 PRO 615 HD3 PRO 615 -11.614 -9.341 7.926 256 H ASP 616 H ASP 616 -11.301 -12.835 5.712 257 HA ASP 616 HA ASP 616 -9.883 -15.332 5.309 258 HB2 ASP 616 HB2 ASP 616 -12.387 -15.023 4.967 259 HB3 ASP 616 HB3 ASP 616 -11.981 -14.146 3.497 260 HA PRO 617 HA PRO 617 -6.864 -13.532 2.397 261 HB2 PRO 617 HB2 PRO 617 -5.760 -15.904 1.657 262 HB3 PRO 617 HB3 PRO 617 -5.340 -15.077 3.160 263 HG2 PRO 617 HG2 PRO 617 -7.293 -17.249 2.788 264 HG3 PRO 617 HG3 PRO 617 -6.074 -17.175 3.872 265 HD2 PRO 617 HD2 PRO 617 -8.439 -16.434 4.709 266 HD3 PRO 617 HD3 PRO 617 -7.179 -15.490 5.142 267 H ALA 618 H ALA 618 -9.539 -15.568 1.791 268 HA ALA 618 HA ALA 618 -9.054 -16.136 -0.982 269 HB1 ALA 618 HB1 ALA 618 -11.274 -17.110 -0.971 270 HB2 ALA 618 HB2 ALA 618 -11.609 -16.379 0.599 271 HB3 ALA 618 HB3 ALA 618 -10.371 -17.627 0.454 272 H ALA 619 H ALA 619 -10.047 -13.338 0.587 273 HA ALA 619 HA ALA 619 -11.902 -12.348 -1.396 274 HB1 ALA 619 HB1 ALA 619 -12.007 -11.722 1.008 275 HB2 ALA 619 HB2 ALA 619 -11.950 -10.338 -0.086 276 HB3 ALA 619 HB3 ALA 619 -10.502 -10.825 0.792 277 H LEU 620 H LEU 620 -8.598 -12.699 -1.353 278 HA LEU 620 HA LEU 620 -7.832 -10.173 -2.495 279 HB2 LEU 620 HB2 LEU 620 -6.278 -12.717 -2.004 280 HB3 LEU 620 HB3 LEU 620 -5.570 -11.240 -2.600 281 HG LEU 620 HG LEU 620 -6.803 -11.631 0.138 282 HD11 LEU 620 HD11 LEU 620 -4.566 -11.472 1.016 283 HD12 LEU 620 HD12 LEU 620 -3.907 -11.271 -0.606 284 HD13 LEU 620 HD13 LEU 620 -4.663 -12.797 -0.146 285 HD21 LEU 620 HD21 LEU 620 -7.066 -9.324 -0.700 286 HD22 LEU 620 HD22 LEU 620 -5.315 -9.221 -0.892 287 HD23 LEU 620 HD23 LEU 620 -6.016 -9.435 0.714 288 H LYS 621 H LYS 621 -9.479 -12.572 -3.869 289 HA LYS 621 HA LYS 621 -7.892 -12.817 -6.327 290 HB2 LYS 621 HB2 LYS 621 -10.308 -14.374 -5.381 291 HB3 LYS 621 HB3 LYS 621 -9.496 -14.636 -6.916 292 HG2 LYS 621 HG2 LYS 621 -7.454 -15.281 -5.730 293 HG3 LYS 621 HG3 LYS 621 -8.269 -15.022 -4.186 294 HD2 LYS 621 HD2 LYS 621 -9.890 -16.784 -4.760 295 HD3 LYS 621 HD3 LYS 621 -9.063 -17.033 -6.292 296 HE2 LYS 621 HE2 LYS 621 -7.055 -17.728 -5.141 297 HE3 LYS 621 HE3 LYS 621 -7.821 -17.403 -3.592 298 HZ1 LYS 621 HZ1 LYS 621 -7.836 -19.769 -4.148 299 HZ2 LYS 621 HZ2 LYS 621 -8.724 -19.447 -5.551 300 HZ3 LYS 621 HZ3 LYS 621 -9.410 -19.160 -4.032 301 H ASP 622 H ASP 622 -9.686 -10.526 -5.352 302 HA ASP 622 HA ASP 622 -11.856 -10.413 -7.250 303 HB2 ASP 622 HB2 ASP 622 -11.824 -9.501 -4.856 304 HB3 ASP 622 HB3 ASP 622 -10.852 -8.178 -5.488 305 H ARG 623 H ARG 623 -12.128 -8.700 -8.803 306 HA ARG 623 HA ARG 623 -9.731 -8.332 -10.392 307 HB2 ARG 623 HB2 ARG 623 -12.617 -7.584 -10.957 308 HB3 ARG 623 HB3 ARG 623 -11.289 -7.401 -12.096 309 HG2 ARG 623 HG2 ARG 623 -11.831 -10.058 -10.917 310 HG3 ARG 623 HG3 ARG 623 -12.851 -9.470 -12.239 311 HD2 ARG 623 HD2 ARG 623 -11.137 -10.661 -13.312 312 HD3 ARG 623 HD3 ARG 623 -10.682 -8.968 -13.468 313 HE ARG 623 HE ARG 623 -8.847 -9.368 -12.130 314 HH11 ARG 623 HH11 ARG 623 -10.977 -12.159 -11.938 315 HH12 ARG 623 HH12 ARG 623 -9.816 -13.129 -11.095 316 HH21 ARG 623 HH21 ARG 623 -7.346 -10.659 -11.025 317 HH22 ARG 623 HH22 ARG 623 -7.764 -12.280 -10.580 318 H ARG 624 H ARG 624 -12.079 -6.373 -8.689 319 HA ARG 624 HA ARG 624 -11.088 -3.807 -9.405 320 HB2 ARG 624 HB2 ARG 624 -12.632 -4.663 -6.950 321 HB3 ARG 624 HB3 ARG 624 -12.338 -2.996 -7.410 322 HG2 ARG 624 HG2 ARG 624 -13.815 -4.930 -9.182 323 HG3 ARG 624 HG3 ARG 624 -14.618 -3.955 -7.957 324 HD2 ARG 624 HD2 ARG 624 -12.896 -2.707 -10.084 325 HD3 ARG 624 HD3 ARG 624 -14.591 -3.091 -10.379 326 HE ARG 624 HE ARG 624 -13.540 -1.009 -8.640 327 HH11 ARG 624 HH11 ARG 624 -16.380 -2.782 -9.705 328 HH12 ARG 624 HH12 ARG 624 -17.489 -1.583 -9.128 329 HH21 ARG 624 HH21 ARG 624 -15.014 0.548 -7.892 330 HH22 ARG 624 HH22 ARG 624 -16.714 0.300 -8.106 331 H MET 625 H MET 625 -9.965 -6.163 -7.158 332 HA MET 625 HA MET 625 -8.370 -4.393 -5.531 333 HB2 MET 625 HB2 MET 625 -9.322 -6.523 -4.677 334 HB3 MET 625 HB3 MET 625 -8.320 -7.407 -5.817 335 HG2 MET 625 HG2 MET 625 -7.408 -7.507 -3.556 336 HG3 MET 625 HG3 MET 625 -6.307 -6.688 -4.657 337 HE1 MET 625 HE1 MET 625 -9.019 -6.094 -1.804 338 HE2 MET 625 HE2 MET 625 -7.979 -5.081 -0.795 339 HE3 MET 625 HE3 MET 625 -7.471 -6.714 -1.227 340 H GLU 626 H GLU 626 -7.775 -6.584 -8.261 341 HA GLU 626 HA GLU 626 -5.014 -6.621 -8.279 342 HB2 GLU 626 HB2 GLU 626 -6.649 -7.958 -9.705 343 HB3 GLU 626 HB3 GLU 626 -6.648 -6.591 -10.806 344 HG2 GLU 626 HG2 GLU 626 -4.249 -6.853 -11.167 345 HG3 GLU 626 HG3 GLU 626 -4.212 -8.194 -10.019 346 H ASN 627 H ASN 627 -7.077 -3.973 -9.148 347 HA ASN 627 HA ASN 627 -5.063 -2.470 -10.570 348 HB2 ASN 627 HB2 ASN 627 -7.753 -1.668 -9.440 349 HB3 ASN 627 HB3 ASN 627 -6.709 -0.579 -10.342 350 HD21 ASN 627 HD21 ASN 627 -9.407 -1.417 -11.008 351 HD22 ASN 627 HD22 ASN 627 -9.314 -2.204 -12.543 352 H LEU 628 H LEU 628 -6.134 -2.787 -7.261 353 HA LEU 628 HA LEU 628 -4.567 -0.537 -6.292 354 HB2 LEU 628 HB2 LEU 628 -6.692 -1.026 -5.215 355 HB3 LEU 628 HB3 LEU 628 -6.182 -2.663 -4.864 356 HG LEU 628 HG LEU 628 -4.462 -1.725 -3.289 357 HD11 LEU 628 HD11 LEU 628 -5.743 0.810 -4.199 358 HD12 LEU 628 HD12 LEU 628 -4.031 0.428 -3.985 359 HD13 LEU 628 HD13 LEU 628 -5.065 0.684 -2.576 360 HD21 LEU 628 HD21 LEU 628 -7.266 -0.806 -2.650 361 HD22 LEU 628 HD22 LEU 628 -5.968 -1.147 -1.505 362 HD23 LEU 628 HD23 LEU 628 -6.676 -2.458 -2.442 363 H VAL 629 H VAL 629 -4.472 -4.091 -6.155 364 HA VAL 629 HA VAL 629 -2.097 -4.465 -4.730 365 HB VAL 629 HB VAL 629 -3.419 -6.129 -6.885 366 HG11 VAL 629 HG11 VAL 629 -1.051 -6.760 -6.860 367 HG12 VAL 629 HG12 VAL 629 -2.075 -8.047 -6.221 368 HG13 VAL 629 HG13 VAL 629 -1.142 -7.031 -5.114 369 HG21 VAL 629 HG21 VAL 629 -4.672 -5.825 -4.794 370 HG22 VAL 629 HG22 VAL 629 -3.296 -6.479 -3.899 371 HG23 VAL 629 HG23 VAL 629 -4.171 -7.502 -5.032 372 H ALA 630 H ALA 630 -2.634 -3.526 -8.057 373 HA ALA 630 HA ALA 630 0.097 -3.794 -8.892 374 HB1 ALA 630 HB1 ALA 630 -2.178 -2.301 -10.185 375 HB2 ALA 630 HB2 ALA 630 -1.764 -3.993 -10.463 376 HB3 ALA 630 HB3 ALA 630 -0.641 -2.719 -10.944 377 H TYR 631 H TYR 631 -1.750 -1.395 -7.245 378 HA TYR 631 HA TYR 631 0.108 0.764 -7.604 379 HB2 TYR 631 HB2 TYR 631 -2.031 1.543 -7.034 380 HB3 TYR 631 HB3 TYR 631 -2.286 0.278 -5.844 381 HD1 TYR 631 HD1 TYR 631 -0.244 3.361 -6.432 382 HD2 TYR 631 HD2 TYR 631 -2.064 0.774 -3.566 383 HE1 TYR 631 HE1 TYR 631 0.405 4.906 -4.632 384 HE2 TYR 631 HE2 TYR 631 -1.411 2.319 -1.766 385 HH TYR 631 HH TYR 631 0.323 4.070 -1.377 386 H ALA 632 H ALA 632 -0.369 -1.804 -5.205 387 HA ALA 632 HA ALA 632 1.697 -0.744 -3.468 388 HB1 ALA 632 HB1 ALA 632 -0.084 -3.149 -3.265 389 HB2 ALA 632 HB2 ALA 632 -0.100 -1.681 -2.279 390 HB3 ALA 632 HB3 ALA 632 1.234 -2.838 -2.132 391 H LYS 633 H LYS 633 1.446 -3.072 -6.024 392 HA LYS 633 HA LYS 633 3.788 -4.584 -5.477 393 HB2 LYS 633 HB2 LYS 633 2.131 -4.136 -7.934 394 HB3 LYS 633 HB3 LYS 633 3.641 -5.023 -8.029 395 HG2 LYS 633 HG2 LYS 633 2.832 -6.769 -6.688 396 HG3 LYS 633 HG3 LYS 633 1.481 -5.800 -6.094 397 HD2 LYS 633 HD2 LYS 633 0.241 -6.125 -7.996 398 HD3 LYS 633 HD3 LYS 633 1.654 -6.302 -9.008 399 HE2 LYS 633 HE2 LYS 633 2.051 -8.533 -7.976 400 HE3 LYS 633 HE3 LYS 633 0.545 -8.342 -7.083 401 HZ1 LYS 633 HZ1 LYS 633 -0.646 -8.238 -9.187 402 HZ2 LYS 633 HZ2 LYS 633 0.235 -9.677 -9.071 403 HZ3 LYS 633 HZ3 LYS 633 0.803 -8.415 -10.044 404 H LYS 634 H LYS 634 3.220 -1.471 -6.824 405 HA LYS 634 HA LYS 634 5.699 -1.266 -8.308 406 HB2 LYS 634 HB2 LYS 634 3.639 -0.257 -9.178 407 HB3 LYS 634 HB3 LYS 634 3.505 0.745 -7.745 408 HG2 LYS 634 HG2 LYS 634 4.316 2.075 -9.572 409 HG3 LYS 634 HG3 LYS 634 5.609 1.888 -8.386 410 HD2 LYS 634 HD2 LYS 634 6.646 0.163 -9.771 411 HD3 LYS 634 HD3 LYS 634 5.323 0.274 -10.928 412 HE2 LYS 634 HE2 LYS 634 7.116 1.516 -11.856 413 HE3 LYS 634 HE3 LYS 634 5.967 2.703 -11.243 414 HZ1 LYS 634 HZ1 LYS 634 7.334 2.958 -9.270 415 HZ2 LYS 634 HZ2 LYS 634 8.240 3.280 -10.662 416 HZ3 LYS 634 HZ3 LYS 634 8.433 1.811 -9.850 417 H VAL 635 H VAL 635 4.430 -0.223 -5.196 418 HA VAL 635 HA VAL 635 6.405 1.816 -4.799 419 HB VAL 635 HB VAL 635 4.433 0.653 -2.822 420 HG11 VAL 635 HG11 VAL 635 6.291 3.006 -2.567 421 HG12 VAL 635 HG12 VAL 635 6.247 1.553 -1.570 422 HG13 VAL 635 HG13 VAL 635 4.916 2.713 -1.498 423 HG21 VAL 635 HG21 VAL 635 3.274 2.853 -3.106 424 HG22 VAL 635 HG22 VAL 635 3.231 1.814 -4.530 425 HG23 VAL 635 HG23 VAL 635 4.345 3.178 -4.472 426 H GLU 636 H GLU 636 6.144 -1.559 -3.891 427 HA GLU 636 HA GLU 636 8.183 -1.572 -1.890 428 HB2 GLU 636 HB2 GLU 636 6.420 -3.327 -2.138 429 HB3 GLU 636 HB3 GLU 636 7.195 -3.864 -3.617 430 HG2 GLU 636 HG2 GLU 636 8.510 -3.892 -0.906 431 HG3 GLU 636 HG3 GLU 636 7.680 -5.266 -1.624 432 H GLY 637 H GLY 637 8.212 -1.823 -5.393 433 HA2 GLY 637 HA2 GLY 637 10.936 -2.786 -5.569 434 HA3 GLY 637 HA3 GLY 637 9.911 -2.296 -6.908 435 H ASP 638 H ASP 638 9.381 0.308 -5.447 436 HA ASP 638 HA ASP 638 11.679 1.779 -6.432 437 HB2 ASP 638 HB2 ASP 638 9.012 2.604 -5.269 438 HB3 ASP 638 HB3 ASP 638 10.266 3.772 -5.665 439 H MET 639 H MET 639 10.562 0.494 -3.471 440 HA MET 639 HA MET 639 11.747 2.282 -1.612 441 HB2 MET 639 HB2 MET 639 10.750 -0.551 -1.452 442 HB3 MET 639 HB3 MET 639 11.528 0.231 -0.074 443 HG2 MET 639 HG2 MET 639 9.814 2.015 -0.239 444 HG3 MET 639 HG3 MET 639 8.996 1.072 -1.470 445 HE1 MET 639 HE1 MET 639 9.274 -2.042 1.470 446 HE2 MET 639 HE2 MET 639 10.689 -1.200 0.837 447 HE3 MET 639 HE3 MET 639 9.502 -1.879 -0.270 448 H TYR 640 H TYR 640 12.972 -0.531 -3.349 449 HA TYR 640 HA TYR 640 15.270 -0.891 -1.652 450 HB2 TYR 640 HB2 TYR 640 14.149 -2.758 -2.897 451 HB3 TYR 640 HB3 TYR 640 14.762 -2.063 -4.399 452 HD1 TYR 640 HD1 TYR 640 15.835 -3.560 -1.161 453 HD2 TYR 640 HD2 TYR 640 16.937 -2.560 -5.150 454 HE1 TYR 640 HE1 TYR 640 17.923 -4.836 -0.902 455 HE2 TYR 640 HE2 TYR 640 19.025 -3.836 -4.901 456 HH TYR 640 HH TYR 640 20.491 -4.639 -3.135 457 H GLU 641 H GLU 641 14.535 0.918 -4.524 458 HA GLU 641 HA GLU 641 17.318 1.510 -5.130 459 HB2 GLU 641 HB2 GLU 641 14.746 2.513 -6.369 460 HB3 GLU 641 HB3 GLU 641 16.347 2.942 -6.927 461 HG2 GLU 641 HG2 GLU 641 15.173 0.191 -6.918 462 HG3 GLU 641 HG3 GLU 641 15.361 1.227 -8.325 463 H SER 642 H SER 642 14.735 2.852 -3.283 464 HA SER 642 HA SER 642 15.930 5.520 -3.198 465 HB2 SER 642 HB2 SER 642 13.856 6.140 -1.962 466 HB3 SER 642 HB3 SER 642 13.529 5.446 -3.550 467 HG SER 642 HG SER 642 12.433 3.946 -2.587 468 H ALA 643 H ALA 643 15.496 2.683 -1.191 469 HA ALA 643 HA ALA 643 16.441 4.109 1.192 470 HB1 ALA 643 HB1 ALA 643 15.719 2.145 2.447 471 HB2 ALA 643 HB2 ALA 643 15.293 1.332 0.940 472 HB3 ALA 643 HB3 ALA 643 14.414 2.775 1.442 473 H ASN 644 H ASN 644 18.166 3.327 2.459 474 HA ASN 644 HA ASN 644 20.066 1.554 1.060 475 HB2 ASN 644 HB2 ASN 644 20.675 3.981 2.774 476 HB3 ASN 644 HB3 ASN 644 21.887 2.890 2.112 477 HD21 ASN 644 HD21 ASN 644 20.098 5.683 1.615 478 HD22 ASN 644 HD22 ASN 644 20.465 5.935 -0.055 479 H SER 645 H SER 645 18.193 2.038 3.839 480 HA SER 645 HA SER 645 19.734 0.029 5.334 481 HB2 SER 645 HB2 SER 645 19.304 1.235 7.433 482 HB3 SER 645 HB3 SER 645 20.195 2.254 6.304 483 HG SER 645 HG SER 645 17.826 2.708 7.461 484 H ARG 646 H ARG 646 18.321 -0.788 7.279 485 HA ARG 646 HA ARG 646 15.963 -1.947 6.134 486 HB2 ARG 646 HB2 ARG 646 16.931 -3.516 7.469 487 HB3 ARG 646 HB3 ARG 646 17.614 -2.324 8.556 488 HG2 ARG 646 HG2 ARG 646 15.581 -2.171 9.799 489 HG3 ARG 646 HG3 ARG 646 14.703 -3.107 8.593 490 HD2 ARG 646 HD2 ARG 646 16.098 -5.073 9.144 491 HD3 ARG 646 HD3 ARG 646 16.908 -4.122 10.387 492 HE ARG 646 HE ARG 646 14.263 -5.273 10.513 493 HH11 ARG 646 HH11 ARG 646 16.448 -2.919 11.940 494 HH12 ARG 646 HH12 ARG 646 15.567 -2.838 13.428 495 HH21 ARG 646 HH21 ARG 646 13.130 -5.146 12.465 496 HH22 ARG 646 HH22 ARG 646 13.690 -4.099 13.724 497 H ASP 647 H ASP 647 16.593 0.629 8.442 498 HA ASP 647 HA ASP 647 13.859 0.800 9.357 499 HB2 ASP 647 HB2 ASP 647 16.304 2.510 9.827 500 HB3 ASP 647 HB3 ASP 647 14.720 2.941 10.462 501 H GLU 648 H GLU 648 15.717 2.189 6.779 502 HA GLU 648 HA GLU 648 13.771 4.280 6.228 503 HB2 GLU 648 HB2 GLU 648 16.265 3.378 4.764 504 HB3 GLU 648 HB3 GLU 648 15.228 4.673 4.195 505 HG2 GLU 648 HG2 GLU 648 15.752 6.024 6.104 506 HG3 GLU 648 HG3 GLU 648 16.628 4.701 6.866 507 H TYR 649 H TYR 649 14.812 1.185 4.860 508 HA TYR 649 HA TYR 649 13.169 1.057 2.615 509 HB2 TYR 649 HB2 TYR 649 15.023 -0.466 2.957 510 HB3 TYR 649 HB3 TYR 649 14.279 -1.121 4.404 511 HD1 TYR 649 HD1 TYR 649 13.857 -0.838 0.744 512 HD2 TYR 649 HD2 TYR 649 12.943 -3.009 4.286 513 HE1 TYR 649 HE1 TYR 649 12.838 -2.651 -0.574 514 HE2 TYR 649 HE2 TYR 649 11.928 -4.811 2.992 515 HH TYR 649 HH TYR 649 10.905 -5.162 0.860 516 H TYR 650 H TYR 650 12.521 -0.248 5.878 517 HA TYR 650 HA TYR 650 9.859 -1.039 5.259 518 HB2 TYR 650 HB2 TYR 650 11.293 -0.774 7.903 519 HB3 TYR 650 HB3 TYR 650 9.697 -1.488 7.712 520 HD1 TYR 650 HD1 TYR 650 12.899 -2.400 8.320 521 HD2 TYR 650 HD2 TYR 650 9.829 -3.251 5.492 522 HE1 TYR 650 HE1 TYR 650 13.926 -4.578 7.871 523 HE2 TYR 650 HE2 TYR 650 10.862 -5.430 5.027 524 HH TYR 650 HH TYR 650 13.302 -6.767 6.982 525 H HIS 651 H HIS 651 11.162 2.016 6.189 526 HA HIS 651 HA HIS 651 8.755 2.959 7.506 527 HB2 HIS 651 HB2 HIS 651 10.881 3.771 8.325 528 HB3 HIS 651 HB3 HIS 651 11.273 4.389 6.735 529 HD1 HIS 651 HD1 HIS 651 10.793 6.791 6.372 530 HD2 HIS 651 HD2 HIS 651 8.509 5.212 9.466 531 HE1 HIS 651 HE1 HIS 651 9.502 8.733 7.315 532 HE2 HIS 651 HE2 HIS 651 8.160 7.761 9.212 533 H LEU 652 H LEU 652 10.340 3.383 4.387 534 HA LEU 652 HA LEU 652 8.770 5.354 3.230 535 HB2 LEU 652 HB2 LEU 652 10.237 3.007 2.147 536 HB3 LEU 652 HB3 LEU 652 9.389 4.096 1.087 537 HG LEU 652 HG LEU 652 11.682 4.849 2.891 538 HD11 LEU 652 HD11 LEU 652 12.939 5.219 0.828 539 HD12 LEU 652 HD12 LEU 652 11.581 4.594 -0.108 540 HD13 LEU 652 HD13 LEU 652 12.455 3.531 0.992 541 HD21 LEU 652 HD21 LEU 652 10.220 6.688 2.701 542 HD22 LEU 652 HD22 LEU 652 9.972 6.394 0.982 543 HD23 LEU 652 HD23 LEU 652 11.538 6.977 1.558 544 H LEU 653 H LEU 653 8.242 1.866 3.355 545 HA LEU 653 HA LEU 653 5.747 1.859 1.965 546 HB2 LEU 653 HB2 LEU 653 7.215 -0.118 2.202 547 HB3 LEU 653 HB3 LEU 653 6.844 -0.164 3.912 548 HG LEU 653 HG LEU 653 4.376 -0.210 2.524 549 HD11 LEU 653 HD11 LEU 653 5.370 -0.920 0.534 550 HD12 LEU 653 HD12 LEU 653 4.773 -2.389 1.307 551 HD13 LEU 653 HD13 LEU 653 6.491 -1.983 1.378 552 HD21 LEU 653 HD21 LEU 653 4.041 -2.248 3.666 553 HD22 LEU 653 HD22 LEU 653 5.000 -1.230 4.739 554 HD23 LEU 653 HD23 LEU 653 5.773 -2.527 3.827 555 H ALA 654 H ALA 654 6.639 2.182 5.359 556 HA ALA 654 HA ALA 654 4.000 1.775 6.413 557 HB1 ALA 654 HB1 ALA 654 6.384 3.039 7.756 558 HB2 ALA 654 HB2 ALA 654 6.056 1.306 7.695 559 HB3 ALA 654 HB3 ALA 654 4.944 2.385 8.540 560 H GLU 655 H GLU 655 5.806 4.558 5.281 561 HA GLU 655 HA GLU 655 4.137 6.493 6.562 562 HB2 GLU 655 HB2 GLU 655 6.490 6.987 5.955 563 HB3 GLU 655 HB3 GLU 655 6.049 6.920 4.259 564 HG2 GLU 655 HG2 GLU 655 4.591 8.853 4.553 565 HG3 GLU 655 HG3 GLU 655 5.001 8.910 6.264 566 H LYS 656 H LYS 656 4.071 4.949 3.388 567 HA LYS 656 HA LYS 656 1.900 6.514 2.371 568 HB2 LYS 656 HB2 LYS 656 2.762 3.704 1.672 569 HB3 LYS 656 HB3 LYS 656 1.486 4.555 0.843 570 HG2 LYS 656 HG2 LYS 656 4.363 5.455 0.918 571 HG3 LYS 656 HG3 LYS 656 3.626 4.536 -0.396 572 HD2 LYS 656 HD2 LYS 656 2.026 6.378 -0.757 573 HD3 LYS 656 HD3 LYS 656 2.805 7.296 0.534 574 HE2 LYS 656 HE2 LYS 656 4.885 7.340 -0.716 575 HE3 LYS 656 HE3 LYS 656 4.168 6.348 -1.984 576 HZ1 LYS 656 HZ1 LYS 656 3.287 9.080 -1.221 577 HZ2 LYS 656 HZ2 LYS 656 2.598 8.128 -2.438 578 HZ3 LYS 656 HZ3 LYS 656 4.187 8.680 -2.596 579 H ILE 657 H ILE 657 2.234 3.838 4.525 580 HA ILE 657 HA ILE 657 -0.439 2.851 4.413 581 HB ILE 657 HB ILE 657 2.015 2.292 5.971 582 HG12 ILE 657 HG12 ILE 657 -0.158 0.612 4.700 583 HG13 ILE 657 HG13 ILE 657 1.437 0.951 4.050 584 HG21 ILE 657 HG21 ILE 657 1.051 1.085 7.779 585 HG22 ILE 657 HG22 ILE 657 -0.585 1.370 7.182 586 HG23 ILE 657 HG23 ILE 657 0.369 2.717 7.810 587 HD11 ILE 657 HD11 ILE 657 0.825 -0.751 6.466 588 HD12 ILE 657 HD12 ILE 657 2.437 -0.407 5.841 589 HD13 ILE 657 HD13 ILE 657 1.294 -1.332 4.869 590 H TYR 658 H TYR 658 1.178 5.357 6.234 591 HA TYR 658 HA TYR 658 -1.004 5.699 8.100 592 HB2 TYR 658 HB2 TYR 658 1.544 7.263 7.652 593 HB3 TYR 658 HB3 TYR 658 0.374 7.640 8.902 594 HD1 TYR 658 HD1 TYR 658 3.452 6.276 8.510 595 HD2 TYR 658 HD2 TYR 658 -0.316 5.243 10.204 596 HE1 TYR 658 HE1 TYR 658 4.571 4.701 10.030 597 HE2 TYR 658 HE2 TYR 658 0.799 3.669 11.730 598 HH TYR 658 HH TYR 658 4.160 3.622 12.193 599 H LYS 659 H LYS 659 0.185 7.214 5.147 600 HA LYS 659 HA LYS 659 -1.419 9.582 5.344 601 HB2 LYS 659 HB2 LYS 659 0.145 8.415 3.062 602 HB3 LYS 659 HB3 LYS 659 -0.769 9.900 2.915 603 HG2 LYS 659 HG2 LYS 659 0.610 10.906 4.679 604 HG3 LYS 659 HG3 LYS 659 1.544 9.418 4.788 605 HD2 LYS 659 HD2 LYS 659 2.264 9.692 2.454 606 HD3 LYS 659 HD3 LYS 659 1.338 11.185 2.337 607 HE2 LYS 659 HE2 LYS 659 2.726 12.129 4.157 608 HE3 LYS 659 HE3 LYS 659 3.686 10.653 4.114 609 HZ1 LYS 659 HZ1 LYS 659 4.736 12.412 2.843 610 HZ2 LYS 659 HZ2 LYS 659 3.365 12.559 1.863 611 HZ3 LYS 659 HZ3 LYS 659 4.283 11.139 1.825 612 H ILE 660 H ILE 660 -1.800 6.473 3.746 613 HA ILE 660 HA ILE 660 -4.185 7.163 2.312 614 HB ILE 660 HB ILE 660 -2.950 4.486 3.035 615 HG12 ILE 660 HG12 ILE 660 -3.317 5.824 0.337 616 HG13 ILE 660 HG13 ILE 660 -1.848 5.941 1.296 617 HG21 ILE 660 HG21 ILE 660 -4.602 3.447 1.500 618 HG22 ILE 660 HG22 ILE 660 -5.451 4.990 1.409 619 HG23 ILE 660 HG23 ILE 660 -5.345 4.130 2.946 620 HD11 ILE 660 HD11 ILE 660 -1.655 4.287 -0.492 621 HD12 ILE 660 HD12 ILE 660 -3.010 3.388 0.190 622 HD13 ILE 660 HD13 ILE 660 -1.502 3.540 1.100 623 H GLN 661 H GLN 661 -3.446 5.885 5.482 624 HA GLN 661 HA GLN 661 -6.098 5.295 6.308 625 HB2 GLN 661 HB2 GLN 661 -3.464 5.626 7.678 626 HB3 GLN 661 HB3 GLN 661 -4.924 5.577 8.650 627 HG2 GLN 661 HG2 GLN 661 -5.462 3.389 7.509 628 HG3 GLN 661 HG3 GLN 661 -3.850 3.438 6.823 629 HE21 GLN 661 HE21 GLN 661 -2.143 2.707 8.061 630 HE22 GLN 661 HE22 GLN 661 -2.305 2.154 9.691 631 H LYS 662 H LYS 662 -4.346 8.261 6.036 632 HA LYS 662 HA LYS 662 -5.814 9.794 7.969 633 HB2 LYS 662 HB2 LYS 662 -3.616 10.545 7.309 634 HB3 LYS 662 HB3 LYS 662 -4.116 10.635 5.635 635 HG2 LYS 662 HG2 LYS 662 -5.596 12.333 7.538 636 HG3 LYS 662 HG3 LYS 662 -3.936 12.772 7.222 637 HD2 LYS 662 HD2 LYS 662 -4.523 12.760 4.775 638 HD3 LYS 662 HD3 LYS 662 -6.205 12.572 5.245 639 HE2 LYS 662 HE2 LYS 662 -6.044 14.641 6.515 640 HE3 LYS 662 HE3 LYS 662 -4.392 14.847 5.980 641 HZ1 LYS 662 HZ1 LYS 662 -5.178 14.966 3.697 642 HZ2 LYS 662 HZ2 LYS 662 -5.908 16.166 4.639 643 HZ3 LYS 662 HZ3 LYS 662 -6.779 14.778 4.212 644 H GLU 663 H GLU 663 -6.147 9.209 4.502 645 HA GLU 663 HA GLU 663 -8.095 11.232 4.022 646 HB2 GLU 663 HB2 GLU 663 -7.169 8.850 2.407 647 HB3 GLU 663 HB3 GLU 663 -8.376 9.976 1.835 648 HG2 GLU 663 HG2 GLU 663 -5.527 10.616 2.509 649 HG3 GLU 663 HG3 GLU 663 -6.203 10.472 0.889 650 H LEU 664 H LEU 664 -8.231 7.713 4.419 651 HA LEU 664 HA LEU 664 -11.067 7.510 4.133 652 HB2 LEU 664 HB2 LEU 664 -9.085 5.573 5.332 653 HB3 LEU 664 HB3 LEU 664 -10.774 5.209 5.072 654 HG LEU 664 HG LEU 664 -8.520 5.219 3.169 655 HD11 LEU 664 HD11 LEU 664 -11.178 3.813 3.021 656 HD12 LEU 664 HD12 LEU 664 -9.777 3.194 3.892 657 HD13 LEU 664 HD13 LEU 664 -9.696 3.421 2.143 658 HD21 LEU 664 HD21 LEU 664 -9.854 5.782 1.222 659 HD22 LEU 664 HD22 LEU 664 -9.750 7.154 2.331 660 HD23 LEU 664 HD23 LEU 664 -11.221 6.180 2.263 661 H GLU 665 H GLU 665 -9.040 8.400 6.763 662 HA GLU 665 HA GLU 665 -10.783 7.721 8.925 663 HB2 GLU 665 HB2 GLU 665 -8.197 8.916 8.575 664 HB3 GLU 665 HB3 GLU 665 -9.141 9.912 9.667 665 HG2 GLU 665 HG2 GLU 665 -9.053 6.973 10.136 666 HG3 GLU 665 HG3 GLU 665 -7.639 7.943 10.549 667 H GLU 666 H GLU 666 -10.667 10.326 6.642 668 HA GLU 666 HA GLU 666 -12.326 12.166 8.084 669 HB2 GLU 666 HB2 GLU 666 -10.791 12.865 6.256 670 HB3 GLU 666 HB3 GLU 666 -11.805 12.008 5.106 671 HG2 GLU 666 HG2 GLU 666 -12.346 14.319 4.980 672 HG3 GLU 666 HG3 GLU 666 -13.694 13.493 5.757 673 H LYS 667 H LYS 667 -12.877 9.389 6.084 674 HA LYS 667 HA LYS 667 -15.720 9.889 5.740 675 HB2 LYS 667 HB2 LYS 667 -14.106 7.412 5.110 676 HB3 LYS 667 HB3 LYS 667 -15.777 7.698 4.659 677 HG2 LYS 667 HG2 LYS 667 -13.415 9.297 3.695 678 HG3 LYS 667 HG3 LYS 667 -14.261 8.042 2.783 679 HD2 LYS 667 HD2 LYS 667 -16.316 9.354 2.863 680 HD3 LYS 667 HD3 LYS 667 -15.498 10.597 3.803 681 HE2 LYS 667 HE2 LYS 667 -14.793 9.749 0.999 682 HE3 LYS 667 HE3 LYS 667 -15.686 11.198 1.445 683 HZ1 LYS 667 HZ1 LYS 667 -12.880 10.590 2.213 684 HZ2 LYS 667 HZ2 LYS 667 -13.735 11.984 2.643 685 HZ3 LYS 667 HZ3 LYS 667 -13.361 11.691 1.020 686 H ARG 668 H ARG 668 -13.640 8.416 8.033 687 HA ARG 668 HA ARG 668 -15.654 6.701 9.207 688 HB2 ARG 668 HB2 ARG 668 -12.803 7.294 9.967 689 HB3 ARG 668 HB3 ARG 668 -13.847 6.209 10.848 690 HG2 ARG 668 HG2 ARG 668 -14.003 4.729 8.953 691 HG3 ARG 668 HG3 ARG 668 -13.078 5.866 7.972 692 HD2 ARG 668 HD2 ARG 668 -11.171 5.599 9.498 693 HD3 ARG 668 HD3 ARG 668 -12.092 4.409 10.418 694 HE ARG 668 HE ARG 668 -12.102 3.494 7.826 695 HH11 ARG 668 HH11 ARG 668 -9.597 4.220 10.183 696 HH12 ARG 668 HH12 ARG 668 -8.500 3.040 9.548 697 HH21 ARG 668 HH21 ARG 668 -10.646 1.958 7.014 698 HH22 ARG 668 HH22 ARG 668 -9.092 1.764 7.755 699 H ARG 669 H ARG 669 -14.510 9.924 9.593 700 HA ARG 669 HA ARG 669 -15.577 10.227 12.288 701 HB2 ARG 669 HB2 ARG 669 -14.251 12.204 10.421 702 HB3 ARG 669 HB3 ARG 669 -14.833 12.607 12.030 703 HG2 ARG 669 HG2 ARG 669 -13.256 11.025 13.005 704 HG3 ARG 669 HG3 ARG 669 -12.694 10.590 11.388 705 HD2 ARG 669 HD2 ARG 669 -12.041 12.922 11.014 706 HD3 ARG 669 HD3 ARG 669 -12.519 13.309 12.666 707 HE ARG 669 HE ARG 669 -10.707 11.224 12.842 708 HH11 ARG 669 HH11 ARG 669 -10.635 14.546 11.695 709 HH12 ARG 669 HH12 ARG 669 -8.954 14.752 12.053 710 HH21 ARG 669 HH21 ARG 669 -8.505 11.522 13.300 711 HH22 ARG 669 HH22 ARG 669 -7.751 13.043 12.958 712 H SER 670 H SER 670 -16.812 10.315 9.177 713 HA SER 670 HA SER 670 -18.796 12.388 9.697 714 HB2 SER 670 HB2 SER 670 -19.463 12.023 7.348 715 HB3 SER 670 HB3 SER 670 -17.751 12.413 7.508 716 HG SER 670 HG SER 670 -17.955 9.791 7.652 717 H ARG 671 H ARG 671 -18.550 8.890 9.466 718 HA ARG 671 HA ARG 671 -21.393 8.481 9.491 719 HB2 ARG 671 HB2 ARG 671 -19.084 6.584 9.540 720 HB3 ARG 671 HB3 ARG 671 -20.760 6.092 9.514 721 HG2 ARG 671 HG2 ARG 671 -21.053 7.209 7.362 722 HG3 ARG 671 HG3 ARG 671 -19.359 7.680 7.407 723 HD2 ARG 671 HD2 ARG 671 -18.725 5.347 7.457 724 HD3 ARG 671 HD3 ARG 671 -20.416 4.866 7.383 725 HE ARG 671 HE ARG 671 -19.829 6.528 5.187 726 HH11 ARG 671 HH11 ARG 671 -19.107 3.279 6.316 727 HH12 ARG 671 HH12 ARG 671 -18.892 2.649 4.717 728 HH21 ARG 671 HH21 ARG 671 -19.542 5.679 3.106 729 HH22 ARG 671 HH22 ARG 671 -19.137 4.008 2.903 730 H LEU 672 H LEU 672 -18.822 7.184 11.480 731 HA LEU 672 HA LEU 672 -20.581 7.001 13.756 732 HB2 LEU 672 HB2 LEU 672 -17.791 5.905 13.450 733 HB3 LEU 672 HB3 LEU 672 -18.886 5.592 14.776 734 HG LEU 672 HG LEU 672 -19.397 4.718 11.929 735 HD11 LEU 672 HD11 LEU 672 -17.477 3.537 12.880 736 HD12 LEU 672 HD12 LEU 672 -18.874 2.468 12.751 737 HD13 LEU 672 HD13 LEU 672 -18.423 3.145 14.316 738 HD21 LEU 672 HD21 LEU 672 -20.750 3.554 14.298 739 HD22 LEU 672 HD22 LEU 672 -21.373 3.843 12.668 740 HD23 LEU 672 HD23 LEU 672 -21.218 5.184 13.812 741 H1 GLY 519 H1 GLY 519 -28.214 18.297 -1.216 742 H2 GLY 519 H2 GLY 519 -27.270 19.410 -2.071 743 H3 GLY 519 H3 GLY 519 -28.653 19.930 -1.248 744 HA2 GLY 519 HA2 GLY 519 -27.648 19.351 0.874 745 HA3 GLY 519 HA3 GLY 519 -26.211 18.812 0.018 746 H SER 520 H SER 520 -24.604 20.205 0.146 747 HA SER 520 HA SER 520 -25.207 23.078 0.346 748 HB2 SER 520 HB2 SER 520 -22.777 21.510 1.253 749 HB3 SER 520 HB3 SER 520 -22.908 23.266 1.331 750 HG SER 520 HG SER 520 -24.866 22.842 2.624 751 HA PRO 521 HA PRO 521 -23.426 23.380 -3.787 752 HB2 PRO 521 HB2 PRO 521 -23.385 26.098 -3.997 753 HB3 PRO 521 HB3 PRO 521 -24.852 25.139 -4.170 754 HG2 PRO 521 HG2 PRO 521 -23.903 26.636 -1.857 755 HG3 PRO 521 HG3 PRO 521 -25.425 26.507 -2.434 756 HD2 PRO 521 HD2 PRO 521 -24.616 25.186 -0.374 757 HD3 PRO 521 HD3 PRO 521 -25.800 24.633 -1.354 758 H GLY 522 H GLY 522 -21.418 23.455 -4.611 759 HA2 GLY 522 HA2 GLY 522 -19.316 24.989 -4.498 760 HA3 GLY 522 HA3 GLY 522 -19.252 24.376 -2.852 761 H TYR 523 H TYR 523 -17.329 24.087 -5.045 762 HA TYR 523 HA TYR 523 -17.416 21.195 -5.545 763 HB2 TYR 523 HB2 TYR 523 -15.756 23.373 -6.840 764 HB3 TYR 523 HB3 TYR 523 -15.597 21.662 -7.209 765 HD1 TYR 523 HD1 TYR 523 -17.728 24.634 -7.564 766 HD2 TYR 523 HD2 TYR 523 -17.264 20.520 -8.557 767 HE1 TYR 523 HE1 TYR 523 -19.489 24.850 -9.268 768 HE2 TYR 523 HE2 TYR 523 -19.022 20.729 -10.263 769 HH TYR 523 HH TYR 523 -20.196 23.717 -11.338 770 HA PRO 524 HA PRO 524 -14.509 20.324 -2.352 771 HB2 PRO 524 HB2 PRO 524 -12.982 18.314 -3.349 772 HB3 PRO 524 HB3 PRO 524 -14.657 18.084 -2.831 773 HG2 PRO 524 HG2 PRO 524 -13.672 18.583 -5.577 774 HG3 PRO 524 HG3 PRO 524 -14.627 17.357 -5.075 775 HD2 PRO 524 HD2 PRO 524 -15.944 19.523 -6.006 776 HD3 PRO 524 HD3 PRO 524 -16.512 18.921 -4.598 777 H ASN 525 H ASN 525 -12.542 19.939 -5.331 778 HA ASN 525 HA ASN 525 -10.522 20.716 -5.989 779 HB2 ASN 525 HB2 ASN 525 -11.691 22.892 -6.019 780 HB3 ASN 525 HB3 ASN 525 -11.208 23.167 -4.349 781 HD21 ASN 525 HD21 ASN 525 -10.229 25.110 -5.175 782 HD22 ASN 525 HD22 ASN 525 -8.660 25.040 -5.894 783 H GLY 526 H GLY 526 -8.584 20.047 -5.435 784 HA2 GLY 526 HA2 GLY 526 -6.878 20.796 -3.525 785 HA3 GLY 526 HA3 GLY 526 -7.916 19.705 -2.622 786 H LEU 527 H LEU 527 -5.899 19.890 -5.530 787 HA LEU 527 HA LEU 527 -5.111 17.099 -5.079 788 HB2 LEU 527 HB2 LEU 527 -5.460 18.488 -7.723 789 HB3 LEU 527 HB3 LEU 527 -4.800 16.883 -7.538 790 HG LEU 527 HG LEU 527 -7.653 17.720 -6.942 791 HD11 LEU 527 HD11 LEU 527 -7.134 17.695 -9.306 792 HD12 LEU 527 HD12 LEU 527 -8.220 16.371 -8.885 793 HD13 LEU 527 HD13 LEU 527 -6.510 16.054 -9.168 794 HD21 LEU 527 HD21 LEU 527 -8.098 15.289 -6.728 795 HD22 LEU 527 HD22 LEU 527 -7.067 15.934 -5.447 796 HD23 LEU 527 HD23 LEU 527 -6.355 15.001 -6.769 797 H LEU 528 H LEU 528 -3.963 19.793 -4.304 798 HA LEU 528 HA LEU 528 -1.679 20.223 -5.976 799 HB2 LEU 528 HB2 LEU 528 -2.453 21.426 -3.310 800 HB3 LEU 528 HB3 LEU 528 -1.123 21.985 -4.299 801 HG LEU 528 HG LEU 528 -4.035 22.070 -5.122 802 HD11 LEU 528 HD11 LEU 528 -3.841 24.504 -4.822 803 HD12 LEU 528 HD12 LEU 528 -2.237 24.278 -4.127 804 HD13 LEU 528 HD13 LEU 528 -3.653 23.626 -3.306 805 HD21 LEU 528 HD21 LEU 528 -2.536 21.878 -7.019 806 HD22 LEU 528 HD22 LEU 528 -1.563 23.217 -6.409 807 HD23 LEU 528 HD23 LEU 528 -3.220 23.503 -6.940 808 H SER 529 H SER 529 -2.029 17.635 -4.338 809 HA SER 529 HA SER 529 0.714 17.566 -3.298 810 HB2 SER 529 HB2 SER 529 0.009 16.245 -1.332 811 HB3 SER 529 HB3 SER 529 -0.709 17.854 -1.329 812 HG SER 529 HG SER 529 -2.597 16.953 -1.364 813 H GLY 530 H GLY 530 -2.138 15.601 -4.143 814 HA2 GLY 530 HA2 GLY 530 -2.094 13.941 -5.845 815 HA3 GLY 530 HA3 GLY 530 -0.366 13.770 -5.601 816 H ASP 531 H ASP 531 -2.431 13.831 -2.808 817 HA ASP 531 HA ASP 531 -2.217 10.904 -2.552 818 HB2 ASP 531 HB2 ASP 531 -1.711 12.933 -0.359 819 HB3 ASP 531 HB3 ASP 531 -1.749 11.188 -0.135 820 H GLU 532 H GLU 532 -4.267 13.372 -2.872 821 HA GLU 532 HA GLU 532 -6.248 12.556 -0.924 822 HB2 GLU 532 HB2 GLU 532 -5.940 14.884 -2.768 823 HB3 GLU 532 HB3 GLU 532 -7.472 14.542 -2.015 824 HG2 GLU 532 HG2 GLU 532 -6.473 14.776 0.173 825 HG3 GLU 532 HG3 GLU 532 -4.892 15.027 -0.556 826 H ASP 533 H ASP 533 -5.377 11.630 -3.884 827 HA ASP 533 HA ASP 533 -7.967 11.351 -5.148 828 HB2 ASP 533 HB2 ASP 533 -5.135 10.779 -5.928 829 HB3 ASP 533 HB3 ASP 533 -6.427 9.972 -6.807 830 H PHE 534 H PHE 534 -6.260 9.591 -2.841 831 HA PHE 534 HA PHE 534 -7.108 6.953 -3.657 832 HB2 PHE 534 HB2 PHE 534 -5.100 7.931 -1.973 833 HB3 PHE 534 HB3 PHE 534 -6.219 7.091 -0.905 834 HD1 PHE 534 HD1 PHE 534 -4.081 6.705 -3.895 835 HD2 PHE 534 HD2 PHE 534 -6.321 4.717 -0.853 836 HE1 PHE 534 HE1 PHE 534 -3.101 4.557 -4.578 837 HE2 PHE 534 HE2 PHE 534 -5.341 2.575 -1.542 838 HZ PHE 534 HZ PHE 534 -3.732 2.490 -3.404 839 H SER 535 H SER 535 -8.549 9.500 -2.017 840 HA SER 535 HA SER 535 -10.259 8.028 -0.257 841 HB2 SER 535 HB2 SER 535 -11.477 10.137 0.000 842 HB3 SER 535 HB3 SER 535 -9.742 10.417 0.107 843 HG SER 535 HG SER 535 -9.984 10.876 -2.272 844 H SER 536 H SER 536 -10.338 8.872 -3.619 845 HA SER 536 HA SER 536 -13.143 8.177 -3.944 846 HB2 SER 536 HB2 SER 536 -12.790 8.796 -6.310 847 HB3 SER 536 HB3 SER 536 -12.277 10.074 -5.213 848 HG SER 536 HG SER 536 -10.837 8.740 -7.050 849 H ILE 537 H ILE 537 -9.964 6.843 -4.706 850 HA ILE 537 HA ILE 537 -11.108 4.696 -6.287 851 HB ILE 537 HB ILE 537 -8.235 5.335 -5.594 852 HG12 ILE 537 HG12 ILE 537 -9.602 5.426 -8.301 853 HG13 ILE 537 HG13 ILE 537 -9.409 6.826 -7.262 854 HG21 ILE 537 HG21 ILE 537 -7.572 3.586 -7.234 855 HG22 ILE 537 HG22 ILE 537 -9.257 3.057 -7.293 856 HG23 ILE 537 HG23 ILE 537 -8.346 2.939 -5.785 857 HD11 ILE 537 HD11 ILE 537 -6.956 6.603 -7.465 858 HD12 ILE 537 HD12 ILE 537 -7.751 6.846 -9.019 859 HD13 ILE 537 HD13 ILE 537 -7.193 5.239 -8.559 860 H ALA 538 H ALA 538 -9.561 5.029 -3.099 861 HA ALA 538 HA ALA 538 -9.488 2.189 -2.719 862 HB1 ALA 538 HB1 ALA 538 -8.967 4.350 -0.693 863 HB2 ALA 538 HB2 ALA 538 -7.751 3.625 -1.746 864 HB3 ALA 538 HB3 ALA 538 -8.560 2.642 -0.524 865 H ASP 539 H ASP 539 -11.786 4.559 -2.256 866 HA ASP 539 HA ASP 539 -13.373 3.020 -0.331 867 HB2 ASP 539 HB2 ASP 539 -13.725 5.752 -1.613 868 HB3 ASP 539 HB3 ASP 539 -14.993 5.002 -0.650 869 H MET 540 H MET 540 -13.187 3.785 -3.738 870 HA MET 540 HA MET 540 -15.581 2.406 -4.516 871 HB2 MET 540 HB2 MET 540 -13.114 3.306 -5.989 872 HB3 MET 540 HB3 MET 540 -14.357 2.347 -6.774 873 HG2 MET 540 HG2 MET 540 -15.997 4.062 -6.420 874 HG3 MET 540 HG3 MET 540 -14.875 4.988 -5.428 875 HE1 MET 540 HE1 MET 540 -15.997 3.979 -9.008 876 HE2 MET 540 HE2 MET 540 -14.428 3.172 -8.991 877 HE3 MET 540 HE3 MET 540 -14.689 4.574 -10.029 878 H ASP 541 H ASP 541 -12.415 1.518 -3.592 879 HA ASP 541 HA ASP 541 -12.345 -1.046 -4.873 880 HB2 ASP 541 HB2 ASP 541 -10.569 0.359 -2.895 881 HB3 ASP 541 HB3 ASP 541 -10.312 -1.325 -3.325 882 H PHE 542 H PHE 542 -12.669 0.010 -1.419 883 HA PHE 542 HA PHE 542 -12.960 -2.713 -0.587 884 HB2 PHE 542 HB2 PHE 542 -12.973 -1.984 1.613 885 HB3 PHE 542 HB3 PHE 542 -11.929 -0.845 0.808 886 HD1 PHE 542 HD1 PHE 542 -15.569 -1.136 1.713 887 HD2 PHE 542 HD2 PHE 542 -12.065 1.273 1.516 888 HE1 PHE 542 HE1 PHE 542 -16.769 0.693 2.832 889 HE2 PHE 542 HE2 PHE 542 -13.256 3.096 2.617 890 HZ PHE 542 HZ PHE 542 -15.613 2.823 3.282 891 H SER 543 H SER 543 -15.176 -0.354 -1.658 892 HA SER 543 HA SER 543 -17.534 -1.526 -0.491 893 HB2 SER 543 HB2 SER 543 -18.767 0.039 -1.886 894 HB3 SER 543 HB3 SER 543 -17.404 0.866 -1.139 895 HG SER 543 HG SER 543 -16.298 0.282 -3.227 896 H ALA 544 H ALA 544 -15.617 -2.076 -3.335 897 HA ALA 544 HA ALA 544 -17.599 -3.660 -4.722 898 HB1 ALA 544 HB1 ALA 544 -15.822 -4.119 -6.323 899 HB2 ALA 544 HB2 ALA 544 -14.637 -3.389 -5.240 900 HB3 ALA 544 HB3 ALA 544 -15.901 -2.395 -5.964 901 H LEU 545 H LEU 545 -14.867 -4.216 -2.582 902 HA LEU 545 HA LEU 545 -15.062 -7.097 -2.684 903 HB2 LEU 545 HB2 LEU 545 -13.486 -5.209 -0.959 904 HB3 LEU 545 HB3 LEU 545 -13.414 -6.948 -0.814 905 HG LEU 545 HG LEU 545 -12.925 -5.899 -3.526 906 HD11 LEU 545 HD11 LEU 545 -11.725 -4.240 -2.155 907 HD12 LEU 545 HD12 LEU 545 -10.654 -5.245 -3.126 908 HD13 LEU 545 HD13 LEU 545 -10.819 -5.556 -1.400 909 HD21 LEU 545 HD21 LEU 545 -11.231 -7.648 -3.502 910 HD22 LEU 545 HD22 LEU 545 -12.821 -8.245 -3.021 911 HD23 LEU 545 HD23 LEU 545 -11.579 -7.954 -1.798 912 H LEU 546 H LEU 546 -16.666 -4.579 -1.086 913 HA LEU 546 HA LEU 546 -17.301 -5.871 1.384 914 HB2 LEU 546 HB2 LEU 546 -17.273 -3.469 1.278 915 HB3 LEU 546 HB3 LEU 546 -18.421 -3.461 -0.034 916 HG LEU 546 HG LEU 546 -20.183 -4.229 1.477 917 HD11 LEU 546 HD11 LEU 546 -18.844 -5.503 3.045 918 HD12 LEU 546 HD12 LEU 546 -19.781 -4.276 3.899 919 HD13 LEU 546 HD13 LEU 546 -18.060 -4.026 3.600 920 HD21 LEU 546 HD21 LEU 546 -18.682 -1.793 2.418 921 HD22 LEU 546 HD22 LEU 546 -20.351 -2.177 2.836 922 HD23 LEU 546 HD23 LEU 546 -19.916 -1.854 1.159 923 H SER 547 H SER 547 -18.897 -5.497 -1.721 924 HA SER 547 HA SER 547 -21.354 -6.763 -0.959 925 HB2 SER 547 HB2 SER 547 -21.929 -6.605 -3.333 926 HB3 SER 547 HB3 SER 547 -21.241 -5.084 -2.766 927 HG SER 547 HG SER 547 -19.231 -6.545 -3.628 928 H GLN 548 H GLN 548 -18.274 -7.940 -1.836 929 HA GLN 548 HA GLN 548 -19.119 -10.385 -3.080 930 HB2 GLN 548 HB2 GLN 548 -16.417 -9.526 -2.068 931 HB3 GLN 548 HB3 GLN 548 -16.718 -11.009 -2.959 932 HG2 GLN 548 HG2 GLN 548 -17.141 -8.206 -3.990 933 HG3 GLN 548 HG3 GLN 548 -15.806 -9.270 -4.388 934 HE21 GLN 548 HE21 GLN 548 -18.326 -7.986 -5.742 935 HE22 GLN 548 HE22 GLN 548 -18.882 -9.260 -6.769 936 H ILE 549 H ILE 549 -18.990 -9.377 0.098 937 HA ILE 549 HA ILE 549 -18.474 -12.046 1.205 938 HB ILE 549 HB ILE 549 -18.735 -9.368 2.616 939 HG12 ILE 549 HG12 ILE 549 -16.285 -11.133 2.497 940 HG13 ILE 549 HG13 ILE 549 -16.617 -9.955 1.235 941 HG21 ILE 549 HG21 ILE 549 -18.121 -12.095 3.783 942 HG22 ILE 549 HG22 ILE 549 -19.587 -11.153 4.053 943 HG23 ILE 549 HG23 ILE 549 -18.039 -10.567 4.662 944 HD11 ILE 549 HD11 ILE 549 -16.205 -9.353 4.158 945 HD12 ILE 549 HD12 ILE 549 -16.552 -8.162 2.903 946 HD13 ILE 549 HD13 ILE 549 -15.045 -9.077 2.859 947 H SER 550 H SER 550 -21.013 -9.646 0.822 948 HA SER 550 HA SER 550 -22.895 -11.217 2.418 949 HB2 SER 550 HB2 SER 550 -24.426 -9.292 2.114 950 HB3 SER 550 HB3 SER 550 -22.884 -8.811 2.820 951 HG SER 550 HG SER 550 -23.557 -7.411 1.128 952 H SER 551 H SER 551 -22.420 -10.078 -0.903 953 HA SER 551 HA SER 551 -24.603 -11.851 -1.781 954 HB2 SER 551 HB2 SER 551 -25.073 -9.512 -2.304 955 HB3 SER 551 HB3 SER 551 -23.513 -9.350 -3.109 956 HG SER 551 HG SER 551 -24.292 -10.313 -4.823 Start of MODEL 4 1 H1 GLY 586 H1 GLY 586 25.921 -4.449 -6.040 2 H2 GLY 586 H2 GLY 586 27.434 -4.880 -6.660 3 H3 GLY 586 H3 GLY 586 26.243 -4.263 -7.690 4 HA2 GLY 586 HA2 GLY 586 27.894 -2.573 -7.224 5 HA3 GLY 586 HA3 GLY 586 26.323 -2.128 -6.575 6 H VAL 587 H VAL 587 26.144 -1.661 -4.474 7 HA VAL 587 HA VAL 587 28.551 -1.768 -2.828 8 HB VAL 587 HB VAL 587 25.884 -0.410 -2.341 9 HG11 VAL 587 HG11 VAL 587 26.828 -1.057 -0.201 10 HG12 VAL 587 HG12 VAL 587 26.960 0.689 -0.415 11 HG13 VAL 587 HG13 VAL 587 28.378 -0.337 -0.641 12 HG21 VAL 587 HG21 VAL 587 28.599 0.748 -2.974 13 HG22 VAL 587 HG22 VAL 587 27.147 1.679 -2.611 14 HG23 VAL 587 HG23 VAL 587 27.215 0.683 -4.065 15 H ARG 588 H ARG 588 28.752 -2.933 -0.946 16 HA ARG 588 HA ARG 588 26.924 -5.197 -0.702 17 HB2 ARG 588 HB2 ARG 588 29.401 -5.554 -0.917 18 HB3 ARG 588 HB3 ARG 588 29.593 -4.804 0.661 19 HG2 ARG 588 HG2 ARG 588 28.224 -6.574 1.665 20 HG3 ARG 588 HG3 ARG 588 28.048 -7.328 0.080 21 HD2 ARG 588 HD2 ARG 588 30.495 -7.615 -0.028 22 HD3 ARG 588 HD3 ARG 588 30.633 -6.915 1.584 23 HE ARG 588 HE ARG 588 28.874 -9.173 1.508 24 HH11 ARG 588 HH11 ARG 588 32.260 -8.269 1.744 25 HH12 ARG 588 HH12 ARG 588 32.717 -9.742 2.534 26 HH21 ARG 588 HH21 ARG 588 29.494 -11.092 2.542 27 HH22 ARG 588 HH22 ARG 588 31.152 -11.337 2.983 28 H LYS 589 H LYS 589 25.476 -5.358 0.827 29 HA LYS 589 HA LYS 589 25.793 -3.935 3.370 30 HB2 LYS 589 HB2 LYS 589 23.252 -3.800 1.737 31 HB3 LYS 589 HB3 LYS 589 23.573 -2.989 3.259 32 HG2 LYS 589 HG2 LYS 589 25.272 -1.601 2.150 33 HG3 LYS 589 HG3 LYS 589 24.930 -2.413 0.626 34 HD2 LYS 589 HD2 LYS 589 22.572 -1.594 0.816 35 HD3 LYS 589 HD3 LYS 589 23.067 -0.649 2.222 36 HE2 LYS 589 HE2 LYS 589 24.623 0.615 0.875 37 HE3 LYS 589 HE3 LYS 589 24.299 -0.404 -0.524 38 HZ1 LYS 589 HZ1 LYS 589 22.345 1.402 0.800 39 HZ2 LYS 589 HZ2 LYS 589 22.014 0.408 -0.527 40 HZ3 LYS 589 HZ3 LYS 589 23.112 1.685 -0.682 41 H GLY 590 H GLY 590 24.348 -4.671 5.048 42 HA2 GLY 590 HA2 GLY 590 24.145 -7.544 5.032 43 HA3 GLY 590 HA3 GLY 590 23.834 -6.483 6.391 44 H TRP 591 H TRP 591 21.899 -4.978 4.479 45 HA TRP 591 HA TRP 591 19.554 -6.544 5.179 46 HB2 TRP 591 HB2 TRP 591 18.268 -4.629 4.638 47 HB3 TRP 591 HB3 TRP 591 19.703 -4.031 5.451 48 HD1 TRP 591 HD1 TRP 591 21.669 -3.031 3.647 49 HE1 TRP 591 HE1 TRP 591 21.276 -1.586 1.548 50 HE3 TRP 591 HE3 TRP 591 16.716 -4.068 2.839 51 HZ2 TRP 591 HZ2 TRP 591 19.150 -0.957 -0.199 52 HZ3 TRP 591 HZ3 TRP 591 15.582 -2.997 0.938 53 HH2 TRP 591 HH2 TRP 591 16.777 -1.473 -0.550 54 H HIS 592 H HIS 592 21.341 -5.683 2.306 55 HA HIS 592 HA HIS 592 19.467 -6.390 0.330 56 HB2 HIS 592 HB2 HIS 592 21.157 -5.154 -0.596 57 HB3 HIS 592 HB3 HIS 592 22.382 -5.842 0.457 58 HD1 HIS 592 HD1 HIS 592 20.334 -6.960 -2.560 59 HD2 HIS 592 HD2 HIS 592 24.106 -7.450 -0.885 60 HE1 HIS 592 HE1 HIS 592 21.633 -8.339 -4.215 61 HE2 HIS 592 HE2 HIS 592 23.940 -8.537 -3.225 62 H GLU 593 H GLU 593 22.002 -8.326 1.923 63 HA GLU 593 HA GLU 593 21.339 -10.703 0.407 64 HB2 GLU 593 HB2 GLU 593 23.246 -10.261 2.696 65 HB3 GLU 593 HB3 GLU 593 23.041 -11.801 1.875 66 HG2 GLU 593 HG2 GLU 593 23.797 -10.814 -0.206 67 HG3 GLU 593 HG3 GLU 593 23.934 -9.242 0.575 68 H HIS 594 H HIS 594 20.104 -9.179 3.114 69 HA HIS 594 HA HIS 594 19.174 -11.610 4.436 70 HB2 HIS 594 HB2 HIS 594 19.483 -8.745 5.182 71 HB3 HIS 594 HB3 HIS 594 18.171 -9.615 5.947 72 HD1 HIS 594 HD1 HIS 594 21.822 -10.580 5.334 73 HD2 HIS 594 HD2 HIS 594 19.011 -10.295 8.384 74 HE1 HIS 594 HE1 HIS 594 23.002 -11.383 7.409 75 HE2 HIS 594 HE2 HIS 594 21.296 -11.165 9.253 76 H VAL 595 H VAL 595 17.996 -9.067 2.342 77 HA VAL 595 HA VAL 595 15.220 -9.615 2.910 78 HB VAL 595 HB VAL 595 16.573 -7.725 0.976 79 HG11 VAL 595 HG11 VAL 595 14.623 -8.572 -0.254 80 HG12 VAL 595 HG12 VAL 595 14.372 -6.899 0.247 81 HG13 VAL 595 HG13 VAL 595 13.587 -8.208 1.125 82 HG21 VAL 595 HG21 VAL 595 16.346 -7.090 3.345 83 HG22 VAL 595 HG22 VAL 595 14.589 -7.260 3.196 84 HG23 VAL 595 HG23 VAL 595 15.442 -6.025 2.265 85 H THR 596 H THR 596 13.888 -10.930 1.841 86 HA THR 596 HA THR 596 14.998 -12.555 -0.343 87 HB THR 596 HB THR 596 13.261 -14.211 0.208 88 HG1 THR 596 HG1 THR 596 12.006 -13.863 2.127 89 HG21 THR 596 HG21 THR 596 14.110 -14.929 2.382 90 HG22 THR 596 HG22 THR 596 14.847 -13.345 2.620 91 HG23 THR 596 HG23 THR 596 15.418 -14.396 1.325 92 H GLN 597 H GLN 597 13.221 -13.472 -1.826 93 HA GLN 597 HA GLN 597 11.594 -11.381 -2.954 94 HB2 GLN 597 HB2 GLN 597 11.781 -14.341 -3.588 95 HB3 GLN 597 HB3 GLN 597 10.780 -13.209 -4.476 96 HG2 GLN 597 HG2 GLN 597 12.795 -11.958 -5.127 97 HG3 GLN 597 HG3 GLN 597 13.778 -13.136 -4.272 98 HE21 GLN 597 HE21 GLN 597 14.789 -13.211 -6.497 99 HE22 GLN 597 HE22 GLN 597 14.124 -14.331 -7.633 100 H ASP 598 H ASP 598 11.246 -13.745 -0.511 101 HA ASP 598 HA ASP 598 8.360 -13.919 -0.602 102 HB2 ASP 598 HB2 ASP 598 10.466 -14.929 1.317 103 HB3 ASP 598 HB3 ASP 598 8.747 -15.088 1.660 104 H LEU 599 H LEU 599 10.769 -11.906 0.978 105 HA LEU 599 HA LEU 599 9.066 -10.725 2.910 106 HB2 LEU 599 HB2 LEU 599 11.469 -10.451 3.081 107 HB3 LEU 599 HB3 LEU 599 11.538 -9.605 1.556 108 HG LEU 599 HG LEU 599 10.041 -7.824 2.758 109 HD11 LEU 599 HD11 LEU 599 11.378 -9.065 5.145 110 HD12 LEU 599 HD12 LEU 599 9.720 -9.420 4.684 111 HD13 LEU 599 HD13 LEU 599 10.170 -7.774 5.114 112 HD21 LEU 599 HD21 LEU 599 12.001 -6.710 3.722 113 HD22 LEU 599 HD22 LEU 599 12.371 -7.359 2.129 114 HD23 LEU 599 HD23 LEU 599 12.925 -8.201 3.575 115 H ARG 600 H ARG 600 9.907 -9.723 -0.410 116 HA ARG 600 HA ARG 600 8.548 -7.276 -0.364 117 HB2 ARG 600 HB2 ARG 600 9.292 -9.042 -2.708 118 HB3 ARG 600 HB3 ARG 600 8.651 -7.418 -2.881 119 HG2 ARG 600 HG2 ARG 600 10.592 -6.479 -1.815 120 HG3 ARG 600 HG3 ARG 600 11.216 -8.086 -1.447 121 HD2 ARG 600 HD2 ARG 600 12.357 -7.183 -3.381 122 HD3 ARG 600 HD3 ARG 600 11.362 -8.557 -3.859 123 HE ARG 600 HE ARG 600 9.961 -6.104 -4.177 124 HH11 ARG 600 HH11 ARG 600 12.418 -8.089 -5.722 125 HH12 ARG 600 HH12 ARG 600 12.092 -7.460 -7.303 126 HH21 ARG 600 HH21 ARG 600 9.556 -5.299 -6.256 127 HH22 ARG 600 HH22 ARG 600 10.473 -5.884 -7.603 128 H SER 601 H SER 601 7.307 -10.473 -0.732 129 HA SER 601 HA SER 601 4.733 -9.657 -1.787 130 HB2 SER 601 HB2 SER 601 4.140 -12.025 -1.573 131 HB3 SER 601 HB3 SER 601 5.723 -11.872 -2.329 132 HG SER 601 HG SER 601 5.261 -13.388 -0.374 133 H HIS 602 H HIS 602 6.201 -10.267 1.325 134 HA HIS 602 HA HIS 602 3.703 -10.259 2.795 135 HB2 HIS 602 HB2 HIS 602 6.595 -10.277 3.702 136 HB3 HIS 602 HB3 HIS 602 5.221 -10.355 4.797 137 HD1 HIS 602 HD1 HIS 602 7.118 -12.632 4.982 138 HD2 HIS 602 HD2 HIS 602 3.973 -12.613 2.266 139 HE1 HIS 602 HE1 HIS 602 6.685 -15.049 4.437 140 HE2 HIS 602 HE2 HIS 602 4.714 -15.016 2.870 141 H LEU 603 H LEU 603 6.043 -7.982 1.720 142 HA LEU 603 HA LEU 603 5.390 -5.818 3.512 143 HB2 LEU 603 HB2 LEU 603 6.828 -5.958 0.853 144 HB3 LEU 603 HB3 LEU 603 6.569 -4.471 1.717 145 HG LEU 603 HG LEU 603 8.317 -6.769 2.609 146 HD11 LEU 603 HD11 LEU 603 9.363 -5.512 0.889 147 HD12 LEU 603 HD12 LEU 603 10.114 -5.096 2.437 148 HD13 LEU 603 HD13 LEU 603 8.952 -3.991 1.689 149 HD21 LEU 603 HD21 LEU 603 7.738 -4.190 4.027 150 HD22 LEU 603 HD22 LEU 603 9.092 -5.251 4.400 151 HD23 LEU 603 HD23 LEU 603 7.439 -5.829 4.609 152 H VAL 604 H VAL 604 4.438 -6.874 0.294 153 HA VAL 604 HA VAL 604 2.517 -4.850 -0.263 154 HB VAL 604 HB VAL 604 3.003 -7.632 -1.377 155 HG11 VAL 604 HG11 VAL 604 1.586 -6.900 -3.320 156 HG12 VAL 604 HG12 VAL 604 0.980 -5.610 -2.289 157 HG13 VAL 604 HG13 VAL 604 0.710 -7.288 -1.841 158 HG21 VAL 604 HG21 VAL 604 4.720 -5.944 -1.815 159 HG22 VAL 604 HG22 VAL 604 3.496 -4.907 -2.561 160 HG23 VAL 604 HG23 VAL 604 3.904 -6.467 -3.287 161 H HIS 605 H HIS 605 2.357 -8.086 1.226 162 HA HIS 605 HA HIS 605 -0.478 -8.097 1.603 163 HB2 HIS 605 HB2 HIS 605 1.002 -10.148 1.547 164 HB3 HIS 605 HB3 HIS 605 1.578 -9.695 3.146 165 HD1 HIS 605 HD1 HIS 605 -1.805 -10.352 1.510 166 HD2 HIS 605 HD2 HIS 605 0.188 -10.937 5.110 167 HE1 HIS 605 HE1 HIS 605 -3.420 -11.602 2.976 168 HE2 HIS 605 HE2 HIS 605 -2.222 -11.875 5.175 169 H LYS 606 H LYS 606 2.123 -6.577 3.182 170 HA LYS 606 HA LYS 606 0.779 -6.096 5.720 171 HB2 LYS 606 HB2 LYS 606 3.448 -5.769 4.574 172 HB3 LYS 606 HB3 LYS 606 2.940 -4.348 5.472 173 HG2 LYS 606 HG2 LYS 606 2.533 -5.781 7.444 174 HG3 LYS 606 HG3 LYS 606 3.151 -7.160 6.531 175 HD2 LYS 606 HD2 LYS 606 5.288 -6.029 6.278 176 HD3 LYS 606 HD3 LYS 606 4.654 -4.620 7.139 177 HE2 LYS 606 HE2 LYS 606 4.299 -6.028 9.115 178 HE3 LYS 606 HE3 LYS 606 4.954 -7.409 8.260 179 HZ1 LYS 606 HZ1 LYS 606 6.436 -4.922 8.925 180 HZ2 LYS 606 HZ2 LYS 606 7.068 -6.238 8.072 181 HZ3 LYS 606 HZ3 LYS 606 6.616 -6.420 9.691 182 H LEU 607 H LEU 607 1.084 -4.774 2.603 183 HA LEU 607 HA LEU 607 0.338 -2.054 3.236 184 HB2 LEU 607 HB2 LEU 607 1.233 -3.618 0.893 185 HB3 LEU 607 HB3 LEU 607 0.310 -2.165 0.560 186 HG LEU 607 HG LEU 607 2.855 -2.216 2.202 187 HD11 LEU 607 HD11 LEU 607 4.009 -1.457 0.294 188 HD12 LEU 607 HD12 LEU 607 2.515 -1.243 -0.610 189 HD13 LEU 607 HD13 LEU 607 3.084 -2.868 -0.225 190 HD21 LEU 607 HD21 LEU 607 1.319 -0.314 2.652 191 HD22 LEU 607 HD22 LEU 607 1.395 0.105 0.937 192 HD23 LEU 607 HD23 LEU 607 2.849 0.183 1.929 193 H VAL 608 H VAL 608 -1.083 -4.902 1.689 194 HA VAL 608 HA VAL 608 -3.512 -3.649 0.837 195 HB VAL 608 HB VAL 608 -2.702 -6.565 1.095 196 HG11 VAL 608 HG11 VAL 608 -5.244 -5.460 -0.098 197 HG12 VAL 608 HG12 VAL 608 -5.114 -6.487 1.328 198 HG13 VAL 608 HG13 VAL 608 -4.685 -7.125 -0.260 199 HG21 VAL 608 HG21 VAL 608 -3.094 -4.808 -1.334 200 HG22 VAL 608 HG22 VAL 608 -2.603 -6.502 -1.344 201 HG23 VAL 608 HG23 VAL 608 -1.542 -5.283 -0.641 202 H GLN 609 H GLN 609 -2.487 -5.097 3.864 203 HA GLN 609 HA GLN 609 -5.137 -5.525 4.840 204 HB2 GLN 609 HB2 GLN 609 -2.454 -5.792 6.107 205 HB3 GLN 609 HB3 GLN 609 -3.925 -5.988 7.032 206 HG2 GLN 609 HG2 GLN 609 -3.023 -7.605 4.693 207 HG3 GLN 609 HG3 GLN 609 -3.052 -8.129 6.370 208 HE21 GLN 609 HE21 GLN 609 -4.439 -8.954 3.754 209 HE22 GLN 609 HE22 GLN 609 -6.095 -9.132 4.215 210 H ALA 610 H ALA 610 -2.763 -3.009 4.967 211 HA ALA 610 HA ALA 610 -4.021 -1.476 7.044 212 HB1 ALA 610 HB1 ALA 610 -1.662 -1.245 6.667 213 HB2 ALA 610 HB2 ALA 610 -2.450 0.293 6.299 214 HB3 ALA 610 HB3 ALA 610 -1.939 -0.776 4.990 215 H ILE 611 H ILE 611 -4.132 -1.555 3.518 216 HA ILE 611 HA ILE 611 -5.709 0.843 3.272 217 HB ILE 611 HB ILE 611 -5.067 -1.292 1.203 218 HG12 ILE 611 HG12 ILE 611 -3.948 1.498 1.493 219 HG13 ILE 611 HG13 ILE 611 -3.157 0.076 2.127 220 HG21 ILE 611 HG21 ILE 611 -5.822 0.334 -0.470 221 HG22 ILE 611 HG22 ILE 611 -6.296 1.439 0.819 222 HG23 ILE 611 HG23 ILE 611 -7.134 -0.101 0.626 223 HD11 ILE 611 HD11 ILE 611 -3.667 0.731 -0.763 224 HD12 ILE 611 HD12 ILE 611 -3.010 -0.803 -0.199 225 HD13 ILE 611 HD13 ILE 611 -2.110 0.689 0.062 226 H PHE 612 H PHE 612 -6.383 -2.655 2.805 227 HA PHE 612 HA PHE 612 -9.042 -2.198 3.917 228 HB2 PHE 612 HB2 PHE 612 -9.238 -2.248 1.421 229 HB3 PHE 612 HB3 PHE 612 -8.563 -3.870 1.432 230 HD1 PHE 612 HD1 PHE 612 -11.460 -1.813 2.269 231 HD2 PHE 612 HD2 PHE 612 -9.905 -5.765 2.087 232 HE1 PHE 612 HE1 PHE 612 -13.740 -2.715 2.531 233 HE2 PHE 612 HE2 PHE 612 -12.178 -6.681 2.341 234 HZ PHE 612 HZ PHE 612 -14.099 -5.153 2.561 235 HA PRO 613 HA PRO 613 -7.340 -5.890 6.090 236 HB2 PRO 613 HB2 PRO 613 -8.745 -5.623 8.379 237 HB3 PRO 613 HB3 PRO 613 -7.272 -4.708 8.077 238 HG2 PRO 613 HG2 PRO 613 -10.049 -3.817 7.888 239 HG3 PRO 613 HG3 PRO 613 -8.755 -3.003 8.464 240 HD2 PRO 613 HD2 PRO 613 -9.652 -2.615 5.944 241 HD3 PRO 613 HD3 PRO 613 -8.092 -2.341 6.342 242 H THR 614 H THR 614 -8.159 -7.921 6.000 243 HA THR 614 HA THR 614 -10.998 -8.374 6.198 244 HB THR 614 HB THR 614 -10.935 -7.965 3.865 245 HG1 THR 614 HG1 THR 614 -11.758 -10.207 4.876 246 HG21 THR 614 HG21 THR 614 -9.531 -9.203 2.296 247 HG22 THR 614 HG22 THR 614 -8.777 -10.059 3.642 248 HG23 THR 614 HG23 THR 614 -8.539 -8.322 3.460 249 HA PRO 615 HA PRO 615 -9.676 -12.071 8.476 250 HB2 PRO 615 HB2 PRO 615 -12.429 -12.749 7.565 251 HB3 PRO 615 HB3 PRO 615 -11.691 -12.989 9.139 252 HG2 PRO 615 HG2 PRO 615 -13.289 -10.981 8.780 253 HG3 PRO 615 HG3 PRO 615 -11.923 -10.750 9.645 254 HD2 PRO 615 HD2 PRO 615 -12.491 -9.878 7.004 255 HD3 PRO 615 HD3 PRO 615 -11.582 -9.133 8.138 256 H ASP 616 H ASP 616 -11.721 -12.515 5.608 257 HA ASP 616 HA ASP 616 -10.598 -15.095 5.004 258 HB2 ASP 616 HB2 ASP 616 -13.018 -14.466 4.652 259 HB3 ASP 616 HB3 ASP 616 -12.490 -13.487 3.288 260 HA PRO 617 HA PRO 617 -7.320 -13.478 2.253 261 HB2 PRO 617 HB2 PRO 617 -6.322 -15.912 1.588 262 HB3 PRO 617 HB3 PRO 617 -5.929 -15.104 3.109 263 HG2 PRO 617 HG2 PRO 617 -7.983 -17.161 2.642 264 HG3 PRO 617 HG3 PRO 617 -6.817 -17.154 3.785 265 HD2 PRO 617 HD2 PRO 617 -9.183 -16.277 4.489 266 HD3 PRO 617 HD3 PRO 617 -7.890 -15.425 5.009 267 H ALA 618 H ALA 618 -10.082 -15.371 1.588 268 HA ALA 618 HA ALA 618 -9.571 -16.020 -1.154 269 HB1 ALA 618 HB1 ALA 618 -11.074 -17.347 0.253 270 HB2 ALA 618 HB2 ALA 618 -11.884 -16.764 -1.202 271 HB3 ALA 618 HB3 ALA 618 -12.185 -15.981 0.349 272 H ALA 619 H ALA 619 -10.352 -13.107 0.325 273 HA ALA 619 HA ALA 619 -12.018 -11.991 -1.754 274 HB1 ALA 619 HB1 ALA 619 -10.562 -10.571 0.470 275 HB2 ALA 619 HB2 ALA 619 -12.172 -11.282 0.617 276 HB3 ALA 619 HB3 ALA 619 -11.895 -9.939 -0.496 277 H LEU 620 H LEU 620 -8.708 -12.565 -1.442 278 HA LEU 620 HA LEU 620 -7.776 -10.203 -2.801 279 HB2 LEU 620 HB2 LEU 620 -6.345 -12.711 -1.917 280 HB3 LEU 620 HB3 LEU 620 -5.558 -11.314 -2.609 281 HG LEU 620 HG LEU 620 -7.023 -11.384 0.034 282 HD11 LEU 620 HD11 LEU 620 -4.784 -11.019 0.981 283 HD12 LEU 620 HD12 LEU 620 -4.091 -11.182 -0.632 284 HD13 LEU 620 HD13 LEU 620 -4.906 -12.553 0.120 285 HD21 LEU 620 HD21 LEU 620 -7.247 -9.189 -1.010 286 HD22 LEU 620 HD22 LEU 620 -5.506 -9.130 -1.286 287 HD23 LEU 620 HD23 LEU 620 -6.137 -9.117 0.359 288 H LYS 621 H LYS 621 -9.374 -12.778 -3.953 289 HA LYS 621 HA LYS 621 -7.695 -13.190 -6.331 290 HB2 LYS 621 HB2 LYS 621 -10.058 -14.808 -5.341 291 HB3 LYS 621 HB3 LYS 621 -9.055 -15.201 -6.724 292 HG2 LYS 621 HG2 LYS 621 -7.131 -15.524 -5.228 293 HG3 LYS 621 HG3 LYS 621 -8.147 -15.152 -3.843 294 HD2 LYS 621 HD2 LYS 621 -9.568 -17.104 -4.407 295 HD3 LYS 621 HD3 LYS 621 -8.459 -17.480 -5.723 296 HE2 LYS 621 HE2 LYS 621 -6.672 -17.803 -4.214 297 HE3 LYS 621 HE3 LYS 621 -7.638 -17.264 -2.848 298 HZ1 LYS 621 HZ1 LYS 621 -9.088 -19.180 -3.182 299 HZ2 LYS 621 HZ2 LYS 621 -7.492 -19.668 -2.902 300 HZ3 LYS 621 HZ3 LYS 621 -8.123 -19.707 -4.469 301 H ASP 622 H ASP 622 -9.701 -10.961 -5.562 302 HA ASP 622 HA ASP 622 -11.741 -11.166 -7.621 303 HB2 ASP 622 HB2 ASP 622 -12.060 -10.234 -5.247 304 HB3 ASP 622 HB3 ASP 622 -11.206 -8.804 -5.817 305 H ARG 623 H ARG 623 -12.056 -9.532 -9.229 306 HA ARG 623 HA ARG 623 -9.614 -8.907 -10.625 307 HB2 ARG 623 HB2 ARG 623 -12.512 -8.408 -11.332 308 HB3 ARG 623 HB3 ARG 623 -11.165 -8.030 -12.395 309 HG2 ARG 623 HG2 ARG 623 -11.506 -10.770 -11.321 310 HG3 ARG 623 HG3 ARG 623 -12.469 -10.244 -12.709 311 HD2 ARG 623 HD2 ARG 623 -10.605 -11.245 -13.690 312 HD3 ARG 623 HD3 ARG 623 -10.211 -9.529 -13.724 313 HE ARG 623 HE ARG 623 -8.504 -9.902 -12.236 314 HH11 ARG 623 HH11 ARG 623 -10.487 -12.801 -12.355 315 HH12 ARG 623 HH12 ARG 623 -9.357 -13.747 -11.444 316 HH21 ARG 623 HH21 ARG 623 -7.043 -11.160 -11.048 317 HH22 ARG 623 HH22 ARG 623 -7.411 -12.819 -10.705 318 H ARG 624 H ARG 624 -12.186 -7.182 -9.026 319 HA ARG 624 HA ARG 624 -11.351 -4.536 -9.734 320 HB2 ARG 624 HB2 ARG 624 -13.229 -5.554 -7.601 321 HB3 ARG 624 HB3 ARG 624 -12.947 -3.846 -7.898 322 HG2 ARG 624 HG2 ARG 624 -13.790 -4.087 -10.175 323 HG3 ARG 624 HG3 ARG 624 -14.046 -5.810 -9.903 324 HD2 ARG 624 HD2 ARG 624 -16.149 -4.676 -9.657 325 HD3 ARG 624 HD3 ARG 624 -15.622 -5.231 -8.069 326 HE ARG 624 HE ARG 624 -14.734 -2.783 -7.934 327 HH11 ARG 624 HH11 ARG 624 -17.782 -3.791 -9.365 328 HH12 ARG 624 HH12 ARG 624 -18.570 -2.285 -9.022 329 HH21 ARG 624 HH21 ARG 624 -15.789 -0.828 -7.492 330 HH22 ARG 624 HH22 ARG 624 -17.442 -0.613 -7.962 331 H MET 625 H MET 625 -10.341 -6.746 -7.283 332 HA MET 625 HA MET 625 -9.197 -4.713 -5.546 333 HB2 MET 625 HB2 MET 625 -10.148 -6.692 -4.511 334 HB3 MET 625 HB3 MET 625 -9.114 -7.734 -5.481 335 HG2 MET 625 HG2 MET 625 -8.271 -7.614 -3.222 336 HG3 MET 625 HG3 MET 625 -7.139 -6.824 -4.320 337 HE1 MET 625 HE1 MET 625 -8.984 -6.749 -1.187 338 HE2 MET 625 HE2 MET 625 -8.557 -5.177 -0.518 339 HE3 MET 625 HE3 MET 625 -7.285 -6.327 -0.934 340 H GLU 626 H GLU 626 -8.106 -7.101 -7.903 341 HA GLU 626 HA GLU 626 -5.384 -7.057 -7.535 342 HB2 GLU 626 HB2 GLU 626 -6.646 -8.562 -9.073 343 HB3 GLU 626 HB3 GLU 626 -6.700 -7.241 -10.233 344 HG2 GLU 626 HG2 GLU 626 -4.285 -7.216 -10.375 345 HG3 GLU 626 HG3 GLU 626 -4.177 -8.467 -9.134 346 H ASN 627 H ASN 627 -7.303 -4.481 -8.752 347 HA ASN 627 HA ASN 627 -5.358 -3.125 -10.314 348 HB2 ASN 627 HB2 ASN 627 -7.933 -2.267 -8.999 349 HB3 ASN 627 HB3 ASN 627 -6.920 -1.122 -9.869 350 HD21 ASN 627 HD21 ASN 627 -9.520 -1.637 -10.613 351 HD22 ASN 627 HD22 ASN 627 -9.529 -2.447 -12.140 352 H LEU 628 H LEU 628 -6.244 -2.917 -6.866 353 HA LEU 628 HA LEU 628 -4.278 -0.837 -6.427 354 HB2 LEU 628 HB2 LEU 628 -6.261 -2.137 -4.565 355 HB3 LEU 628 HB3 LEU 628 -5.038 -1.033 -3.994 356 HG LEU 628 HG LEU 628 -7.255 -0.298 -5.926 357 HD11 LEU 628 HD11 LEU 628 -8.070 -0.793 -3.634 358 HD12 LEU 628 HD12 LEU 628 -8.253 0.905 -4.094 359 HD13 LEU 628 HD13 LEU 628 -6.941 0.415 -3.012 360 HD21 LEU 628 HD21 LEU 628 -6.545 2.007 -5.357 361 HD22 LEU 628 HD22 LEU 628 -5.337 1.092 -6.266 362 HD23 LEU 628 HD23 LEU 628 -5.149 1.319 -4.523 363 H VAL 629 H VAL 629 -4.640 -4.272 -5.867 364 HA VAL 629 HA VAL 629 -2.353 -4.892 -4.391 365 HB VAL 629 HB VAL 629 -3.644 -6.371 -6.701 366 HG11 VAL 629 HG11 VAL 629 -2.539 -8.410 -5.975 367 HG12 VAL 629 HG12 VAL 629 -1.651 -7.504 -4.745 368 HG13 VAL 629 HG13 VAL 629 -1.358 -7.185 -6.459 369 HG21 VAL 629 HG21 VAL 629 -5.103 -6.045 -4.782 370 HG22 VAL 629 HG22 VAL 629 -3.890 -6.765 -3.724 371 HG23 VAL 629 HG23 VAL 629 -4.677 -7.746 -4.960 372 H ALA 630 H ALA 630 -2.746 -4.029 -7.756 373 HA ALA 630 HA ALA 630 -0.014 -4.466 -8.514 374 HB1 ALA 630 HB1 ALA 630 -2.303 -3.105 -9.929 375 HB2 ALA 630 HB2 ALA 630 -1.807 -4.792 -10.101 376 HB3 ALA 630 HB3 ALA 630 -0.742 -3.499 -10.660 377 H TYR 631 H TYR 631 -1.834 -1.888 -7.126 378 HA TYR 631 HA TYR 631 -0.010 0.242 -7.699 379 HB2 TYR 631 HB2 TYR 631 -2.469 0.488 -7.020 380 HB3 TYR 631 HB3 TYR 631 -1.968 0.085 -5.390 381 HD1 TYR 631 HD1 TYR 631 -2.319 2.700 -7.836 382 HD2 TYR 631 HD2 TYR 631 -0.356 1.664 -4.185 383 HE1 TYR 631 HE1 TYR 631 -1.940 5.083 -7.353 384 HE2 TYR 631 HE2 TYR 631 0.030 4.046 -3.714 385 HH TYR 631 HH TYR 631 -1.533 6.527 -5.405 386 H ALA 632 H ALA 632 -0.370 -2.104 -5.072 387 HA ALA 632 HA ALA 632 1.733 -0.884 -3.493 388 HB1 ALA 632 HB1 ALA 632 0.034 -1.727 -2.155 389 HB2 ALA 632 HB2 ALA 632 1.308 -2.952 -2.038 390 HB3 ALA 632 HB3 ALA 632 -0.088 -3.219 -3.089 391 H LYS 633 H LYS 633 1.361 -3.567 -5.701 392 HA LYS 633 HA LYS 633 3.645 -5.064 -5.147 393 HB2 LYS 633 HB2 LYS 633 1.816 -4.694 -7.454 394 HB3 LYS 633 HB3 LYS 633 3.371 -5.424 -7.805 395 HG2 LYS 633 HG2 LYS 633 2.881 -7.158 -6.084 396 HG3 LYS 633 HG3 LYS 633 1.278 -6.454 -5.907 397 HD2 LYS 633 HD2 LYS 633 0.587 -7.141 -7.994 398 HD3 LYS 633 HD3 LYS 633 2.231 -7.237 -8.609 399 HE2 LYS 633 HE2 LYS 633 2.544 -9.352 -7.803 400 HE3 LYS 633 HE3 LYS 633 1.514 -9.078 -6.401 401 HZ1 LYS 633 HZ1 LYS 633 0.525 -10.669 -7.916 402 HZ2 LYS 633 HZ2 LYS 633 0.570 -9.545 -9.180 403 HZ3 LYS 633 HZ3 LYS 633 -0.425 -9.271 -7.841 404 H LYS 634 H LYS 634 3.268 -2.089 -6.950 405 HA LYS 634 HA LYS 634 5.867 -2.199 -8.132 406 HB2 LYS 634 HB2 LYS 634 4.052 -1.380 -9.450 407 HB3 LYS 634 HB3 LYS 634 3.712 -0.115 -8.291 408 HG2 LYS 634 HG2 LYS 634 4.874 0.777 -10.208 409 HG3 LYS 634 HG3 LYS 634 5.873 0.865 -8.762 410 HD2 LYS 634 HD2 LYS 634 7.063 -1.184 -9.510 411 HD3 LYS 634 HD3 LYS 634 6.104 -1.166 -10.990 412 HE2 LYS 634 HE2 LYS 634 8.203 -0.180 -11.510 413 HE3 LYS 634 HE3 LYS 634 7.030 1.132 -11.440 414 HZ1 LYS 634 HZ1 LYS 634 7.798 1.660 -9.217 415 HZ2 LYS 634 HZ2 LYS 634 9.094 1.697 -10.302 416 HZ3 LYS 634 HZ3 LYS 634 8.903 0.380 -9.258 417 H VAL 635 H VAL 635 4.490 -0.706 -5.282 418 HA VAL 635 HA VAL 635 6.209 1.559 -5.297 419 HB VAL 635 HB VAL 635 4.459 0.489 -3.100 420 HG11 VAL 635 HG11 VAL 635 6.337 1.446 -1.980 421 HG12 VAL 635 HG12 VAL 635 4.948 2.526 -1.821 422 HG13 VAL 635 HG13 VAL 635 6.235 2.904 -2.969 423 HG21 VAL 635 HG21 VAL 635 3.276 1.610 -4.921 424 HG22 VAL 635 HG22 VAL 635 4.252 3.061 -4.671 425 HG23 VAL 635 HG23 VAL 635 3.148 2.504 -3.406 426 H GLU 636 H GLU 636 6.343 -1.399 -3.255 427 HA GLU 636 HA GLU 636 8.583 -0.643 -1.768 428 HB2 GLU 636 HB2 GLU 636 8.844 -3.016 -1.145 429 HB3 GLU 636 HB3 GLU 636 7.208 -2.422 -0.954 430 HG2 GLU 636 HG2 GLU 636 6.892 -4.516 -1.848 431 HG3 GLU 636 HG3 GLU 636 6.790 -3.457 -3.249 432 H GLY 637 H GLY 637 8.477 -1.817 -5.010 433 HA2 GLY 637 HA2 GLY 637 11.186 -2.701 -5.221 434 HA3 GLY 637 HA3 GLY 637 10.134 -2.256 -6.556 435 H ASP 638 H ASP 638 9.682 0.430 -5.266 436 HA ASP 638 HA ASP 638 12.033 1.791 -6.298 437 HB2 ASP 638 HB2 ASP 638 9.372 2.797 -5.272 438 HB3 ASP 638 HB3 ASP 638 10.675 3.868 -5.777 439 H MET 639 H MET 639 10.769 0.804 -3.257 440 HA MET 639 HA MET 639 12.073 2.708 -1.577 441 HB2 MET 639 HB2 MET 639 11.113 -0.077 -0.891 442 HB3 MET 639 HB3 MET 639 11.527 1.200 0.256 443 HG2 MET 639 HG2 MET 639 9.704 2.562 -0.700 444 HG3 MET 639 HG3 MET 639 9.272 1.203 -1.724 445 HE1 MET 639 HE1 MET 639 8.997 -1.305 1.551 446 HE2 MET 639 HE2 MET 639 10.508 -0.401 1.409 447 HE3 MET 639 HE3 MET 639 9.815 -1.185 -0.012 448 H TYR 640 H TYR 640 13.144 -0.079 -3.270 449 HA TYR 640 HA TYR 640 15.291 -0.866 -1.540 450 HB2 TYR 640 HB2 TYR 640 14.092 -2.377 -3.149 451 HB3 TYR 640 HB3 TYR 640 14.869 -1.508 -4.472 452 HD1 TYR 640 HD1 TYR 640 15.220 -4.082 -1.962 453 HD2 TYR 640 HD2 TYR 640 17.368 -1.662 -4.728 454 HE1 TYR 640 HE1 TYR 640 17.123 -5.632 -1.833 455 HE2 TYR 640 HE2 TYR 640 19.279 -3.206 -4.601 456 HH TYR 640 HH TYR 640 19.059 -6.285 -3.185 457 H GLU 641 H GLU 641 14.967 1.240 -4.345 458 HA GLU 641 HA GLU 641 17.835 1.678 -4.561 459 HB2 GLU 641 HB2 GLU 641 15.504 2.797 -6.126 460 HB3 GLU 641 HB3 GLU 641 17.177 3.215 -6.430 461 HG2 GLU 641 HG2 GLU 641 16.132 0.410 -6.557 462 HG3 GLU 641 HG3 GLU 641 16.219 1.496 -7.936 463 H SER 642 H SER 642 15.090 3.206 -3.092 464 HA SER 642 HA SER 642 16.317 5.834 -2.965 465 HB2 SER 642 HB2 SER 642 13.685 4.806 -1.875 466 HB3 SER 642 HB3 SER 642 14.218 6.483 -1.792 467 HG SER 642 HG SER 642 13.291 6.631 -3.673 468 H ALA 643 H ALA 643 15.365 3.287 -0.653 469 HA ALA 643 HA ALA 643 16.531 4.705 1.584 470 HB1 ALA 643 HB1 ALA 643 15.780 2.793 2.908 471 HB2 ALA 643 HB2 ALA 643 15.336 1.944 1.425 472 HB3 ALA 643 HB3 ALA 643 14.489 3.420 1.883 473 H ASN 644 H ASN 644 18.299 4.061 2.807 474 HA ASN 644 HA ASN 644 20.231 2.321 1.420 475 HB2 ASN 644 HB2 ASN 644 20.620 4.639 3.327 476 HB3 ASN 644 HB3 ASN 644 21.931 3.577 2.833 477 HD21 ASN 644 HD21 ASN 644 20.303 6.397 2.172 478 HD22 ASN 644 HD22 ASN 644 20.870 6.669 0.562 479 H SER 645 H SER 645 18.209 2.454 4.129 480 HA SER 645 HA SER 645 19.729 0.337 5.498 481 HB2 SER 645 HB2 SER 645 19.210 1.304 7.666 482 HB3 SER 645 HB3 SER 645 20.000 2.531 6.675 483 HG SER 645 HG SER 645 17.435 2.445 7.675 484 H ARG 646 H ARG 646 18.383 -0.996 6.949 485 HA ARG 646 HA ARG 646 16.026 -1.839 5.551 486 HB2 ARG 646 HB2 ARG 646 17.633 -3.437 6.508 487 HB3 ARG 646 HB3 ARG 646 17.244 -2.868 8.122 488 HG2 ARG 646 HG2 ARG 646 14.967 -3.698 7.888 489 HG3 ARG 646 HG3 ARG 646 15.311 -4.219 6.240 490 HD2 ARG 646 HD2 ARG 646 15.456 -6.143 7.636 491 HD3 ARG 646 HD3 ARG 646 17.099 -5.704 7.179 492 HE ARG 646 HE ARG 646 17.573 -5.349 9.383 493 HH11 ARG 646 HH11 ARG 646 14.075 -5.299 9.053 494 HH12 ARG 646 HH12 ARG 646 13.803 -5.189 10.759 495 HH21 ARG 646 HH21 ARG 646 17.189 -5.204 11.609 496 HH22 ARG 646 HH22 ARG 646 15.565 -5.133 12.204 497 H ASP 647 H ASP 647 16.639 0.044 8.423 498 HA ASP 647 HA ASP 647 13.921 -0.081 9.404 499 HB2 ASP 647 HB2 ASP 647 16.302 1.616 10.178 500 HB3 ASP 647 HB3 ASP 647 14.721 1.785 10.933 501 H GLU 648 H GLU 648 15.720 1.867 7.172 502 HA GLU 648 HA GLU 648 13.741 3.989 7.066 503 HB2 GLU 648 HB2 GLU 648 16.126 4.520 6.739 504 HB3 GLU 648 HB3 GLU 648 16.180 3.457 5.344 505 HG2 GLU 648 HG2 GLU 648 14.643 4.908 4.146 506 HG3 GLU 648 HG3 GLU 648 14.512 5.961 5.557 507 H TYR 649 H TYR 649 14.863 1.297 5.052 508 HA TYR 649 HA TYR 649 13.259 1.573 2.812 509 HB2 TYR 649 HB2 TYR 649 15.075 0.005 2.842 510 HB3 TYR 649 HB3 TYR 649 14.394 -0.861 4.206 511 HD1 TYR 649 HD1 TYR 649 13.961 -0.209 0.567 512 HD2 TYR 649 HD2 TYR 649 12.929 -2.660 3.889 513 HE1 TYR 649 HE1 TYR 649 12.918 -1.875 -0.961 514 HE2 TYR 649 HE2 TYR 649 11.899 -4.286 2.386 515 HH TYR 649 HH TYR 649 12.310 -4.331 -0.880 516 H TYR 650 H TYR 650 12.550 -0.374 5.716 517 HA TYR 650 HA TYR 650 9.873 -0.972 5.115 518 HB2 TYR 650 HB2 TYR 650 11.366 -0.833 7.731 519 HB3 TYR 650 HB3 TYR 650 9.714 -1.417 7.604 520 HD1 TYR 650 HD1 TYR 650 10.829 -2.560 4.657 521 HD2 TYR 650 HD2 TYR 650 11.650 -3.174 8.791 522 HE1 TYR 650 HE1 TYR 650 11.673 -4.803 4.150 523 HE2 TYR 650 HE2 TYR 650 12.488 -5.427 8.291 524 HH TYR 650 HH TYR 650 12.236 -7.140 6.556 525 H HIS 651 H HIS 651 11.244 2.013 6.082 526 HA HIS 651 HA HIS 651 8.922 2.957 7.542 527 HB2 HIS 651 HB2 HIS 651 11.174 3.609 8.279 528 HB3 HIS 651 HB3 HIS 651 11.449 4.419 6.743 529 HD1 HIS 651 HD1 HIS 651 10.950 6.850 6.728 530 HD2 HIS 651 HD2 HIS 651 8.913 4.874 9.767 531 HE1 HIS 651 HE1 HIS 651 9.803 8.654 8.054 532 HE2 HIS 651 HE2 HIS 651 8.568 7.436 9.882 533 H LEU 652 H LEU 652 10.233 3.330 4.265 534 HA LEU 652 HA LEU 652 8.567 5.465 3.473 535 HB2 LEU 652 HB2 LEU 652 9.805 3.263 1.850 536 HB3 LEU 652 HB3 LEU 652 9.004 4.643 1.164 537 HG LEU 652 HG LEU 652 11.513 4.778 2.819 538 HD11 LEU 652 HD11 LEU 652 12.792 5.084 0.835 539 HD12 LEU 652 HD12 LEU 652 11.346 5.001 -0.166 540 HD13 LEU 652 HD13 LEU 652 11.894 3.571 0.709 541 HD21 LEU 652 HD21 LEU 652 10.178 6.882 1.150 542 HD22 LEU 652 HD22 LEU 652 11.740 7.043 1.959 543 HD23 LEU 652 HD23 LEU 652 10.273 6.825 2.912 544 H LEU 653 H LEU 653 7.993 2.021 3.777 545 HA LEU 653 HA LEU 653 5.504 2.105 2.289 546 HB2 LEU 653 HB2 LEU 653 5.538 -0.171 2.301 547 HB3 LEU 653 HB3 LEU 653 7.246 0.148 2.493 548 HG LEU 653 HG LEU 653 6.241 -0.002 5.109 549 HD11 LEU 653 HD11 LEU 653 5.316 -2.400 3.590 550 HD12 LEU 653 HD12 LEU 653 4.234 -1.052 3.940 551 HD13 LEU 653 HD13 LEU 653 4.984 -1.951 5.262 552 HD21 LEU 653 HD21 LEU 653 7.698 -1.806 5.363 553 HD22 LEU 653 HD22 LEU 653 8.433 -0.842 4.083 554 HD23 LEU 653 HD23 LEU 653 7.529 -2.298 3.678 555 H ALA 654 H ALA 654 6.575 2.134 5.618 556 HA ALA 654 HA ALA 654 4.004 1.597 6.781 557 HB1 ALA 654 HB1 ALA 654 6.455 2.805 8.054 558 HB2 ALA 654 HB2 ALA 654 6.092 1.081 7.953 559 HB3 ALA 654 HB3 ALA 654 5.049 2.148 8.892 560 H GLU 655 H GLU 655 5.675 4.452 5.666 561 HA GLU 655 HA GLU 655 3.942 6.293 7.033 562 HB2 GLU 655 HB2 GLU 655 6.232 6.970 6.512 563 HB3 GLU 655 HB3 GLU 655 5.913 6.802 4.795 564 HG2 GLU 655 HG2 GLU 655 4.302 8.640 4.920 565 HG3 GLU 655 HG3 GLU 655 4.637 8.814 6.641 566 H LYS 656 H LYS 656 3.996 4.851 3.802 567 HA LYS 656 HA LYS 656 1.741 6.287 2.755 568 HB2 LYS 656 HB2 LYS 656 2.892 3.571 2.105 569 HB3 LYS 656 HB3 LYS 656 1.451 4.167 1.322 570 HG2 LYS 656 HG2 LYS 656 2.736 6.054 0.406 571 HG3 LYS 656 HG3 LYS 656 4.197 5.425 1.177 572 HD2 LYS 656 HD2 LYS 656 4.203 3.499 -0.232 573 HD3 LYS 656 HD3 LYS 656 2.577 3.833 -0.823 574 HE2 LYS 656 HE2 LYS 656 4.121 4.435 -2.546 575 HE3 LYS 656 HE3 LYS 656 3.466 5.924 -1.868 576 HZ1 LYS 656 HZ1 LYS 656 5.857 6.065 -2.221 577 HZ2 LYS 656 HZ2 LYS 656 6.111 4.743 -1.193 578 HZ3 LYS 656 HZ3 LYS 656 5.485 6.188 -0.574 579 H ILE 657 H ILE 657 2.184 3.635 4.945 580 HA ILE 657 HA ILE 657 -0.418 2.488 4.756 581 HB ILE 657 HB ILE 657 2.019 2.075 6.396 582 HG12 ILE 657 HG12 ILE 657 0.062 0.117 5.172 583 HG13 ILE 657 HG13 ILE 657 1.392 0.848 4.295 584 HG21 ILE 657 HG21 ILE 657 0.190 2.299 8.135 585 HG22 ILE 657 HG22 ILE 657 1.098 0.783 8.136 586 HG23 ILE 657 HG23 ILE 657 -0.521 0.837 7.438 587 HD11 ILE 657 HD11 ILE 657 1.888 -1.442 5.000 588 HD12 ILE 657 HD12 ILE 657 1.665 -0.970 6.685 589 HD13 ILE 657 HD13 ILE 657 2.989 -0.282 5.745 590 H TYR 658 H TYR 658 1.064 4.872 6.920 591 HA TYR 658 HA TYR 658 -1.338 5.186 8.505 592 HB2 TYR 658 HB2 TYR 658 1.295 6.668 8.426 593 HB3 TYR 658 HB3 TYR 658 -0.017 7.119 9.496 594 HD1 TYR 658 HD1 TYR 658 2.952 5.269 9.266 595 HD2 TYR 658 HD2 TYR 658 -0.937 5.106 10.993 596 HE1 TYR 658 HE1 TYR 658 3.771 3.667 10.943 597 HE2 TYR 658 HE2 TYR 658 -0.128 3.501 12.671 598 HH TYR 658 HH TYR 658 3.163 2.890 13.200 599 H LYS 659 H LYS 659 0.162 6.621 5.740 600 HA LYS 659 HA LYS 659 -1.269 9.091 5.762 601 HB2 LYS 659 HB2 LYS 659 1.025 8.799 4.877 602 HB3 LYS 659 HB3 LYS 659 0.383 7.810 3.593 603 HG2 LYS 659 HG2 LYS 659 -0.628 10.590 3.855 604 HG3 LYS 659 HG3 LYS 659 1.001 10.339 3.255 605 HD2 LYS 659 HD2 LYS 659 0.095 8.909 1.450 606 HD3 LYS 659 HD3 LYS 659 -1.536 9.166 2.075 607 HE2 LYS 659 HE2 LYS 659 -1.069 11.644 1.726 608 HE3 LYS 659 HE3 LYS 659 0.298 11.138 0.746 609 HZ1 LYS 659 HZ1 LYS 659 -2.537 10.384 0.269 610 HZ2 LYS 659 HZ2 LYS 659 -1.218 9.915 -0.681 611 HZ3 LYS 659 HZ3 LYS 659 -1.668 11.543 -0.606 612 H ILE 660 H ILE 660 -1.752 5.976 4.128 613 HA ILE 660 HA ILE 660 -3.923 6.907 2.481 614 HB ILE 660 HB ILE 660 -3.024 4.098 3.202 615 HG12 ILE 660 HG12 ILE 660 -2.896 5.537 0.539 616 HG13 ILE 660 HG13 ILE 660 -1.576 5.556 1.701 617 HG21 ILE 660 HG21 ILE 660 -5.214 4.948 1.298 618 HG22 ILE 660 HG22 ILE 660 -5.401 3.999 2.772 619 HG23 ILE 660 HG23 ILE 660 -4.540 3.322 1.390 620 HD11 ILE 660 HD11 ILE 660 -1.129 3.912 0.015 621 HD12 ILE 660 HD12 ILE 660 -2.698 3.151 0.278 622 HD13 ILE 660 HD13 ILE 660 -1.459 3.085 1.539 623 H GLN 661 H GLN 661 -3.569 5.528 5.655 624 HA GLN 661 HA GLN 661 -6.236 4.966 6.313 625 HB2 GLN 661 HB2 GLN 661 -3.773 5.598 7.888 626 HB3 GLN 661 HB3 GLN 661 -5.314 5.458 8.711 627 HG2 GLN 661 HG2 GLN 661 -5.556 3.183 8.013 628 HG3 GLN 661 HG3 GLN 661 -4.172 3.302 6.946 629 HE21 GLN 661 HE21 GLN 661 -3.850 1.221 8.380 630 HE22 GLN 661 HE22 GLN 661 -2.866 1.459 9.780 631 H LYS 662 H LYS 662 -4.655 8.002 5.919 632 HA LYS 662 HA LYS 662 -6.380 9.573 7.615 633 HB2 LYS 662 HB2 LYS 662 -4.064 10.292 7.058 634 HB3 LYS 662 HB3 LYS 662 -4.542 10.448 5.387 635 HG2 LYS 662 HG2 LYS 662 -5.972 12.311 5.929 636 HG3 LYS 662 HG3 LYS 662 -5.674 12.105 7.630 637 HD2 LYS 662 HD2 LYS 662 -3.323 12.697 7.264 638 HD3 LYS 662 HD3 LYS 662 -3.675 12.901 5.563 639 HE2 LYS 662 HE2 LYS 662 -5.278 14.658 6.117 640 HE3 LYS 662 HE3 LYS 662 -4.851 14.496 7.810 641 HZ1 LYS 662 HZ1 LYS 662 -3.008 15.310 5.629 642 HZ2 LYS 662 HZ2 LYS 662 -2.583 15.138 7.257 643 HZ3 LYS 662 HZ3 LYS 662 -3.678 16.339 6.791 644 H GLU 663 H GLU 663 -6.146 8.915 4.168 645 HA GLU 663 HA GLU 663 -8.029 10.762 3.217 646 HB2 GLU 663 HB2 GLU 663 -6.948 8.183 2.084 647 HB3 GLU 663 HB3 GLU 663 -8.079 9.193 1.205 648 HG2 GLU 663 HG2 GLU 663 -6.553 10.882 0.888 649 HG3 GLU 663 HG3 GLU 663 -5.600 10.398 2.293 650 H LEU 664 H LEU 664 -8.374 7.329 4.055 651 HA LEU 664 HA LEU 664 -11.131 7.099 3.446 652 HB2 LEU 664 HB2 LEU 664 -9.417 5.499 5.351 653 HB3 LEU 664 HB3 LEU 664 -11.070 5.090 4.965 654 HG LEU 664 HG LEU 664 -8.775 5.126 2.993 655 HD11 LEU 664 HD11 LEU 664 -10.193 2.730 4.140 656 HD12 LEU 664 HD12 LEU 664 -8.615 3.314 4.668 657 HD13 LEU 664 HD13 LEU 664 -8.835 2.735 3.015 658 HD21 LEU 664 HD21 LEU 664 -11.615 4.193 2.630 659 HD22 LEU 664 HD22 LEU 664 -10.308 4.019 1.455 660 HD23 LEU 664 HD23 LEU 664 -10.883 5.625 1.904 661 H GLU 665 H GLU 665 -9.537 8.573 6.129 662 HA GLU 665 HA GLU 665 -11.892 8.561 7.836 663 HB2 GLU 665 HB2 GLU 665 -9.168 9.830 8.112 664 HB3 GLU 665 HB3 GLU 665 -10.471 10.126 9.252 665 HG2 GLU 665 HG2 GLU 665 -10.317 7.346 9.003 666 HG3 GLU 665 HG3 GLU 665 -8.651 7.913 9.097 667 H GLU 666 H GLU 666 -10.603 10.496 5.312 668 HA GLU 666 HA GLU 666 -11.866 12.974 5.993 669 HB2 GLU 666 HB2 GLU 666 -10.640 11.901 3.460 670 HB3 GLU 666 HB3 GLU 666 -11.445 13.461 3.502 671 HG2 GLU 666 HG2 GLU 666 -9.059 12.655 5.153 672 HG3 GLU 666 HG3 GLU 666 -9.037 13.698 3.733 673 H LYS 667 H LYS 667 -12.881 10.064 4.400 674 HA LYS 667 HA LYS 667 -15.312 11.201 3.330 675 HB2 LYS 667 HB2 LYS 667 -14.355 8.359 3.438 676 HB3 LYS 667 HB3 LYS 667 -15.848 8.865 2.670 677 HG2 LYS 667 HG2 LYS 667 -13.054 9.647 1.864 678 HG3 LYS 667 HG3 LYS 667 -14.138 8.544 1.032 679 HD2 LYS 667 HD2 LYS 667 -15.576 10.318 0.362 680 HD3 LYS 667 HD3 LYS 667 -14.829 11.438 1.491 681 HE2 LYS 667 HE2 LYS 667 -13.464 10.259 -0.931 682 HE3 LYS 667 HE3 LYS 667 -14.222 11.844 -0.866 683 HZ1 LYS 667 HZ1 LYS 667 -12.653 12.501 0.839 684 HZ2 LYS 667 HZ2 LYS 667 -11.823 11.969 -0.535 685 HZ3 LYS 667 HZ3 LYS 667 -11.942 10.966 0.823 686 H ARG 668 H ARG 668 -14.278 9.944 6.294 687 HA ARG 668 HA ARG 668 -16.809 8.902 7.199 688 HB2 ARG 668 HB2 ARG 668 -14.169 9.423 8.580 689 HB3 ARG 668 HB3 ARG 668 -15.560 8.766 9.418 690 HG2 ARG 668 HG2 ARG 668 -15.561 6.832 7.923 691 HG3 ARG 668 HG3 ARG 668 -14.141 7.484 7.097 692 HD2 ARG 668 HD2 ARG 668 -12.940 7.473 9.248 693 HD3 ARG 668 HD3 ARG 668 -14.332 6.705 10.000 694 HE ARG 668 HE ARG 668 -13.697 5.080 7.886 695 HH11 ARG 668 HH11 ARG 668 -11.963 6.200 10.731 696 HH12 ARG 668 HH12 ARG 668 -10.966 4.785 10.819 697 HH21 ARG 668 HH21 ARG 668 -12.379 3.242 8.022 698 HH22 ARG 668 HH22 ARG 668 -11.202 3.116 9.286 699 H ARG 669 H ARG 669 -15.211 11.980 7.218 700 HA ARG 669 HA ARG 669 -16.840 13.047 9.389 701 HB2 ARG 669 HB2 ARG 669 -14.638 14.310 7.739 702 HB3 ARG 669 HB3 ARG 669 -15.459 15.101 9.073 703 HG2 ARG 669 HG2 ARG 669 -14.573 13.499 10.636 704 HG3 ARG 669 HG3 ARG 669 -13.838 12.574 9.323 705 HD2 ARG 669 HD2 ARG 669 -12.579 14.698 8.742 706 HD3 ARG 669 HD3 ARG 669 -13.150 15.328 10.288 707 HE ARG 669 HE ARG 669 -11.958 12.867 10.791 708 HH11 ARG 669 HH11 ARG 669 -10.934 16.022 9.631 709 HH12 ARG 669 HH12 ARG 669 -9.323 15.852 10.246 710 HH21 ARG 669 HH21 ARG 669 -9.845 12.670 11.588 711 HH22 ARG 669 HH22 ARG 669 -8.710 13.955 11.351 712 H SER 670 H SER 670 -16.326 13.617 5.899 713 HA SER 670 HA SER 670 -18.587 15.482 5.885 714 HB2 SER 670 HB2 SER 670 -17.774 16.190 3.673 715 HB3 SER 670 HB3 SER 670 -16.525 16.329 4.907 716 HG SER 670 HG SER 670 -16.164 13.966 3.992 717 H ARG 671 H ARG 671 -17.463 12.500 4.377 718 HA ARG 671 HA ARG 671 -18.511 10.766 3.382 719 HB2 ARG 671 HB2 ARG 671 -21.087 12.080 4.229 720 HB3 ARG 671 HB3 ARG 671 -20.928 10.440 3.618 721 HG2 ARG 671 HG2 ARG 671 -19.541 9.858 5.549 722 HG3 ARG 671 HG3 ARG 671 -19.695 11.506 6.152 723 HD2 ARG 671 HD2 ARG 671 -22.106 11.232 6.200 724 HD3 ARG 671 HD3 ARG 671 -21.927 9.542 5.732 725 HE ARG 671 HE ARG 671 -21.459 10.698 8.335 726 HH11 ARG 671 HH11 ARG 671 -20.749 7.952 6.259 727 HH12 ARG 671 HH12 ARG 671 -20.379 6.900 7.584 728 HH21 ARG 671 HH21 ARG 671 -20.969 9.297 10.053 729 HH22 ARG 671 HH22 ARG 671 -20.505 7.661 9.728 730 H LEU 672 H LEU 672 -18.727 13.855 2.258 731 HA LEU 672 HA LEU 672 -19.847 12.998 -0.327 732 HB2 LEU 672 HB2 LEU 672 -19.698 15.801 0.807 733 HB3 LEU 672 HB3 LEU 672 -20.268 15.406 -0.794 734 HG LEU 672 HG LEU 672 -21.621 14.555 1.776 735 HD11 LEU 672 HD11 LEU 672 -22.503 16.716 -0.122 736 HD12 LEU 672 HD12 LEU 672 -21.700 16.997 1.420 737 HD13 LEU 672 HD13 LEU 672 -23.285 16.224 1.380 738 HD21 LEU 672 HD21 LEU 672 -22.080 13.013 -0.039 739 HD22 LEU 672 HD22 LEU 672 -22.577 14.352 -1.075 740 HD23 LEU 672 HD23 LEU 672 -23.518 13.952 0.363 741 H1 GLY 519 H1 GLY 519 -29.423 15.334 -2.844 742 H2 GLY 519 H2 GLY 519 -29.838 15.960 -4.359 743 H3 GLY 519 H3 GLY 519 -30.061 16.897 -2.967 744 HA2 GLY 519 HA2 GLY 519 -28.116 17.645 -4.172 745 HA3 GLY 519 HA3 GLY 519 -27.685 16.996 -2.597 746 H SER 520 H SER 520 -27.234 16.787 -5.960 747 HA SER 520 HA SER 520 -25.801 14.232 -5.743 748 HB2 SER 520 HB2 SER 520 -27.393 14.149 -7.519 749 HB3 SER 520 HB3 SER 520 -26.905 15.729 -8.125 750 HG SER 520 HG SER 520 -25.336 13.361 -8.142 751 HA PRO 521 HA PRO 521 -21.981 16.597 -5.826 752 HB2 PRO 521 HB2 PRO 521 -20.234 14.530 -6.156 753 HB3 PRO 521 HB3 PRO 521 -21.023 14.892 -4.623 754 HG2 PRO 521 HG2 PRO 521 -21.714 12.873 -6.611 755 HG3 PRO 521 HG3 PRO 521 -21.718 12.746 -4.983 756 HD2 PRO 521 HD2 PRO 521 -23.878 13.067 -6.343 757 HD3 PRO 521 HD3 PRO 521 -23.731 13.595 -4.804 758 H GLY 522 H GLY 522 -20.913 17.677 -7.363 759 HA2 GLY 522 HA2 GLY 522 -20.846 16.538 -10.092 760 HA3 GLY 522 HA3 GLY 522 -21.049 18.250 -9.757 761 H TYR 523 H TYR 523 -18.782 15.841 -8.449 762 HA TYR 523 HA TYR 523 -16.535 15.742 -8.247 763 HB2 TYR 523 HB2 TYR 523 -16.582 17.268 -10.860 764 HB3 TYR 523 HB3 TYR 523 -15.128 16.580 -10.147 765 HD1 TYR 523 HD1 TYR 523 -18.277 15.839 -11.875 766 HD2 TYR 523 HD2 TYR 523 -14.766 14.167 -10.142 767 HE1 TYR 523 HE1 TYR 523 -18.740 13.705 -13.004 768 HE2 TYR 523 HE2 TYR 523 -15.224 12.030 -11.267 769 HH TYR 523 HH TYR 523 -17.135 10.820 -12.217 770 HA PRO 524 HA PRO 524 -15.751 19.614 -6.057 771 HB2 PRO 524 HB2 PRO 524 -13.689 18.756 -4.509 772 HB3 PRO 524 HB3 PRO 524 -15.379 18.371 -4.165 773 HG2 PRO 524 HG2 PRO 524 -13.362 16.667 -5.423 774 HG3 PRO 524 HG3 PRO 524 -14.542 16.246 -4.375 775 HD2 PRO 524 HD2 PRO 524 -14.693 15.819 -6.931 776 HD3 PRO 524 HD3 PRO 524 -16.007 15.955 -5.971 777 H ASN 525 H ASN 525 -14.425 21.337 -6.357 778 HA ASN 525 HA ASN 525 -11.987 20.915 -7.955 779 HB2 ASN 525 HB2 ASN 525 -13.932 23.234 -8.102 780 HB3 ASN 525 HB3 ASN 525 -12.394 23.179 -8.945 781 HD21 ASN 525 HD21 ASN 525 -15.642 22.633 -9.196 782 HD22 ASN 525 HD22 ASN 525 -15.658 21.626 -10.599 783 H GLY 526 H GLY 526 -10.127 21.954 -7.400 784 HA2 GLY 526 HA2 GLY 526 -9.162 23.969 -6.272 785 HA3 GLY 526 HA3 GLY 526 -10.209 23.568 -4.922 786 H LEU 527 H LEU 527 -9.861 20.865 -4.697 787 HA LEU 527 HA LEU 527 -7.009 20.641 -4.030 788 HB2 LEU 527 HB2 LEU 527 -9.308 19.442 -2.484 789 HB3 LEU 527 HB3 LEU 527 -7.626 19.241 -2.096 790 HG LEU 527 HG LEU 527 -9.114 21.874 -1.958 791 HD11 LEU 527 HD11 LEU 527 -10.021 20.321 -0.349 792 HD12 LEU 527 HD12 LEU 527 -9.109 21.597 0.454 793 HD13 LEU 527 HD13 LEU 527 -8.406 19.991 0.272 794 HD21 LEU 527 HD21 LEU 527 -6.812 22.342 -2.229 795 HD22 LEU 527 HD22 LEU 527 -6.347 21.082 -1.087 796 HD23 LEU 527 HD23 LEU 527 -7.166 22.539 -0.510 797 H LEU 528 H LEU 528 -7.979 19.846 -6.521 798 HA LEU 528 HA LEU 528 -8.515 17.016 -6.517 799 HB2 LEU 528 HB2 LEU 528 -8.196 19.116 -8.640 800 HB3 LEU 528 HB3 LEU 528 -8.226 17.423 -9.082 801 HG LEU 528 HG LEU 528 -10.487 18.304 -7.398 802 HD11 LEU 528 HD11 LEU 528 -10.290 20.286 -8.781 803 HD12 LEU 528 HD12 LEU 528 -11.687 19.334 -9.281 804 HD13 LEU 528 HD13 LEU 528 -10.204 19.291 -10.235 805 HD21 LEU 528 HD21 LEU 528 -10.249 16.704 -9.941 806 HD22 LEU 528 HD22 LEU 528 -11.729 16.927 -9.009 807 HD23 LEU 528 HD23 LEU 528 -10.365 16.061 -8.303 808 H SER 529 H SER 529 -5.751 18.603 -5.941 809 HA SER 529 HA SER 529 -4.071 16.522 -7.174 810 HB2 SER 529 HB2 SER 529 -2.291 18.206 -7.530 811 HB3 SER 529 HB3 SER 529 -3.753 18.598 -8.434 812 HG SER 529 HG SER 529 -4.239 19.926 -6.441 813 H GLY 530 H GLY 530 -5.277 17.099 -4.402 814 HA2 GLY 530 HA2 GLY 530 -2.799 17.221 -2.815 815 HA3 GLY 530 HA3 GLY 530 -4.416 17.525 -2.203 816 H ASP 531 H ASP 531 -5.899 15.653 -2.116 817 HA ASP 531 HA ASP 531 -4.544 13.067 -1.803 818 HB2 ASP 531 HB2 ASP 531 -6.218 14.467 0.295 819 HB3 ASP 531 HB3 ASP 531 -5.902 12.738 0.334 820 H GLU 532 H GLU 532 -6.196 14.021 -3.892 821 HA GLU 532 HA GLU 532 -8.824 12.885 -3.451 822 HB2 GLU 532 HB2 GLU 532 -7.699 14.788 -5.441 823 HB3 GLU 532 HB3 GLU 532 -9.231 13.991 -5.724 824 HG2 GLU 532 HG2 GLU 532 -8.565 15.713 -3.353 825 HG3 GLU 532 HG3 GLU 532 -9.516 16.202 -4.740 826 H ASP 533 H ASP 533 -5.983 11.807 -4.530 827 HA ASP 533 HA ASP 533 -6.726 10.455 -6.953 828 HB2 ASP 533 HB2 ASP 533 -4.278 10.339 -5.190 829 HB3 ASP 533 HB3 ASP 533 -4.458 9.317 -6.611 830 H PHE 534 H PHE 534 -6.234 9.451 -3.569 831 HA PHE 534 HA PHE 534 -7.078 6.730 -4.165 832 HB2 PHE 534 HB2 PHE 534 -5.566 7.988 -2.062 833 HB3 PHE 534 HB3 PHE 534 -6.892 7.068 -1.365 834 HD1 PHE 534 HD1 PHE 534 -3.989 6.809 -3.658 835 HD2 PHE 534 HD2 PHE 534 -6.739 4.719 -1.146 836 HE1 PHE 534 HE1 PHE 534 -2.666 4.755 -3.922 837 HE2 PHE 534 HE2 PHE 534 -5.417 2.672 -1.421 838 HZ PHE 534 HZ PHE 534 -3.382 2.683 -2.803 839 H SER 535 H SER 535 -8.525 9.639 -3.310 840 HA SER 535 HA SER 535 -10.774 8.572 -1.857 841 HB2 SER 535 HB2 SER 535 -11.651 10.821 -1.911 842 HB3 SER 535 HB3 SER 535 -9.932 10.903 -1.541 843 HG SER 535 HG SER 535 -11.310 11.840 -3.725 844 H SER 536 H SER 536 -9.889 8.867 -5.139 845 HA SER 536 HA SER 536 -12.613 8.656 -6.132 846 HB2 SER 536 HB2 SER 536 -9.975 8.693 -7.617 847 HB3 SER 536 HB3 SER 536 -11.565 8.678 -8.377 848 HG SER 536 HG SER 536 -11.909 10.715 -7.745 849 H ILE 537 H ILE 537 -9.641 6.670 -6.098 850 HA ILE 537 HA ILE 537 -11.055 4.442 -7.314 851 HB ILE 537 HB ILE 537 -8.153 4.747 -6.514 852 HG12 ILE 537 HG12 ILE 537 -9.332 4.484 -9.298 853 HG13 ILE 537 HG13 ILE 537 -8.965 6.026 -8.544 854 HG21 ILE 537 HG21 ILE 537 -9.464 2.373 -7.843 855 HG22 ILE 537 HG22 ILE 537 -8.712 2.414 -6.248 856 HG23 ILE 537 HG23 ILE 537 -7.721 2.612 -7.695 857 HD11 ILE 537 HD11 ILE 537 -6.589 5.418 -8.479 858 HD12 ILE 537 HD12 ILE 537 -7.234 5.376 -10.121 859 HD13 ILE 537 HD13 ILE 537 -6.969 3.873 -9.238 860 H ALA 538 H ALA 538 -9.369 5.057 -4.219 861 HA ALA 538 HA ALA 538 -9.980 2.450 -3.243 862 HB1 ALA 538 HB1 ALA 538 -8.933 3.149 -1.158 863 HB2 ALA 538 HB2 ALA 538 -8.927 4.821 -1.717 864 HB3 ALA 538 HB3 ALA 538 -7.944 3.612 -2.543 865 H ASP 539 H ASP 539 -11.759 5.217 -3.460 866 HA ASP 539 HA ASP 539 -13.610 4.473 -1.317 867 HB2 ASP 539 HB2 ASP 539 -13.412 6.922 -3.081 868 HB3 ASP 539 HB3 ASP 539 -14.786 6.631 -2.016 869 H MET 540 H MET 540 -13.116 4.090 -4.670 870 HA MET 540 HA MET 540 -15.863 3.340 -5.235 871 HB2 MET 540 HB2 MET 540 -13.364 3.454 -6.871 872 HB3 MET 540 HB3 MET 540 -14.758 2.534 -7.435 873 HG2 MET 540 HG2 MET 540 -16.141 4.478 -7.472 874 HG3 MET 540 HG3 MET 540 -14.912 5.437 -6.657 875 HE1 MET 540 HE1 MET 540 -16.161 3.929 -10.021 876 HE2 MET 540 HE2 MET 540 -14.774 2.901 -9.671 877 HE3 MET 540 HE3 MET 540 -14.724 4.012 -11.042 878 H ASP 541 H ASP 541 -12.852 1.863 -4.344 879 HA ASP 541 HA ASP 541 -13.755 -0.802 -4.993 880 HB2 ASP 541 HB2 ASP 541 -11.158 0.380 -4.099 881 HB3 ASP 541 HB3 ASP 541 -11.417 -1.349 -4.096 882 H PHE 542 H PHE 542 -13.563 1.282 -2.220 883 HA PHE 542 HA PHE 542 -13.289 -0.752 -0.221 884 HB2 PHE 542 HB2 PHE 542 -12.682 1.679 0.047 885 HB3 PHE 542 HB3 PHE 542 -14.400 2.036 0.148 886 HD1 PHE 542 HD1 PHE 542 -11.593 0.293 1.828 887 HD2 PHE 542 HD2 PHE 542 -15.593 1.722 2.152 888 HE1 PHE 542 HE1 PHE 542 -11.547 -0.133 4.251 889 HE2 PHE 542 HE2 PHE 542 -15.555 1.298 4.572 890 HZ PHE 542 HZ PHE 542 -13.529 0.373 5.627 891 H SER 543 H SER 543 -16.011 0.753 -1.831 892 HA SER 543 HA SER 543 -18.020 -0.438 -0.124 893 HB2 SER 543 HB2 SER 543 -19.620 0.558 -1.643 894 HB3 SER 543 HB3 SER 543 -18.364 1.730 -1.286 895 HG SER 543 HG SER 543 -19.125 1.163 -3.624 896 H ALA 544 H ALA 544 -16.375 -1.201 -3.096 897 HA ALA 544 HA ALA 544 -18.144 -3.320 -3.907 898 HB1 ALA 544 HB1 ALA 544 -16.520 -3.724 -5.665 899 HB2 ALA 544 HB2 ALA 544 -15.358 -2.668 -4.861 900 HB3 ALA 544 HB3 ALA 544 -16.848 -1.996 -5.524 901 H LEU 545 H LEU 545 -15.214 -3.036 -2.016 902 HA LEU 545 HA LEU 545 -14.810 -5.879 -1.720 903 HB2 LEU 545 HB2 LEU 545 -13.601 -3.441 -0.440 904 HB3 LEU 545 HB3 LEU 545 -13.183 -5.059 0.053 905 HG LEU 545 HG LEU 545 -12.800 -4.048 -2.756 906 HD11 LEU 545 HD11 LEU 545 -11.377 -2.747 -1.314 907 HD12 LEU 545 HD12 LEU 545 -10.398 -3.941 -2.162 908 HD13 LEU 545 HD13 LEU 545 -10.836 -4.201 -0.476 909 HD21 LEU 545 HD21 LEU 545 -12.977 -6.484 -2.556 910 HD22 LEU 545 HD22 LEU 545 -11.707 -6.475 -1.331 911 HD23 LEU 545 HD23 LEU 545 -11.337 -5.991 -2.986 912 H LEU 546 H LEU 546 -16.653 -3.397 -0.226 913 HA LEU 546 HA LEU 546 -17.049 -4.648 2.322 914 HB2 LEU 546 HB2 LEU 546 -17.982 -2.228 0.911 915 HB3 LEU 546 HB3 LEU 546 -19.118 -2.890 2.051 916 HG LEU 546 HG LEU 546 -16.354 -1.871 2.651 917 HD11 LEU 546 HD11 LEU 546 -17.565 -0.274 4.078 918 HD12 LEU 546 HD12 LEU 546 -19.089 -0.937 3.487 919 HD13 LEU 546 HD13 LEU 546 -17.994 -0.118 2.375 920 HD21 LEU 546 HD21 LEU 546 -18.330 -3.200 4.493 921 HD22 LEU 546 HD22 LEU 546 -16.842 -2.399 4.995 922 HD23 LEU 546 HD23 LEU 546 -16.768 -3.846 3.991 923 H SER 547 H SER 547 -18.647 -4.671 -0.778 924 HA SER 547 HA SER 547 -20.963 -6.141 0.065 925 HB2 SER 547 HB2 SER 547 -21.506 -6.288 -2.301 926 HB3 SER 547 HB3 SER 547 -20.984 -4.648 -1.916 927 HG SER 547 HG SER 547 -18.984 -5.109 -2.833 928 H GLN 548 H GLN 548 -17.733 -7.008 -0.586 929 HA GLN 548 HA GLN 548 -18.201 -9.620 -1.666 930 HB2 GLN 548 HB2 GLN 548 -15.701 -8.362 -0.538 931 HB3 GLN 548 HB3 GLN 548 -15.751 -9.955 -1.271 932 HG2 GLN 548 HG2 GLN 548 -16.228 -7.309 -2.596 933 HG3 GLN 548 HG3 GLN 548 -14.920 -8.453 -2.897 934 HE21 GLN 548 HE21 GLN 548 -17.396 -7.214 -4.370 935 HE22 GLN 548 HE22 GLN 548 -18.006 -8.562 -5.260 936 H ILE 549 H ILE 549 -18.261 -8.359 1.460 937 HA ILE 549 HA ILE 549 -17.827 -10.995 2.679 938 HB ILE 549 HB ILE 549 -17.558 -9.886 4.843 939 HG12 ILE 549 HG12 ILE 549 -17.769 -7.256 3.344 940 HG13 ILE 549 HG13 ILE 549 -18.968 -7.879 4.468 941 HG21 ILE 549 HG21 ILE 549 -15.783 -8.746 2.696 942 HG22 ILE 549 HG22 ILE 549 -15.596 -10.307 3.494 943 HG23 ILE 549 HG23 ILE 549 -15.399 -8.816 4.416 944 HD11 ILE 549 HD11 ILE 549 -16.144 -7.076 5.136 945 HD12 ILE 549 HD12 ILE 549 -17.309 -7.751 6.275 946 HD13 ILE 549 HD13 ILE 549 -17.614 -6.184 5.525 947 H SER 550 H SER 550 -20.284 -8.772 1.898 948 HA SER 550 HA SER 550 -22.167 -9.916 3.839 949 HB2 SER 550 HB2 SER 550 -23.630 -8.054 3.300 950 HB3 SER 550 HB3 SER 550 -22.017 -7.432 3.642 951 HG SER 550 HG SER 550 -22.139 -7.944 1.049 952 H SER 551 H SER 551 -21.454 -9.763 0.420 953 HA SER 551 HA SER 551 -22.258 -10.779 -1.430 954 HB2 SER 551 HB2 SER 551 -23.400 -12.736 0.579 955 HB3 SER 551 HB3 SER 551 -23.408 -12.995 -1.165 956 HG SER 551 HG SER 551 -21.265 -13.245 -1.159 Start of MODEL 5 1 H1 GLY 586 H1 GLY 586 30.792 -3.540 -3.928 2 H2 GLY 586 H2 GLY 586 32.096 -4.151 -3.042 3 H3 GLY 586 H3 GLY 586 32.318 -3.669 -4.648 4 HA2 GLY 586 HA2 GLY 586 33.215 -2.010 -3.151 5 HA3 GLY 586 HA3 GLY 586 31.858 -1.376 -4.072 6 H VAL 587 H VAL 587 29.746 -1.346 -3.015 7 HA VAL 587 HA VAL 587 30.025 -0.550 -0.240 8 HB VAL 587 HB VAL 587 27.715 -0.181 -2.136 9 HG11 VAL 587 HG11 VAL 587 26.893 -0.292 0.120 10 HG12 VAL 587 HG12 VAL 587 26.785 1.363 -0.483 11 HG13 VAL 587 HG13 VAL 587 28.074 0.909 0.634 12 HG21 VAL 587 HG21 VAL 587 29.648 1.149 -2.775 13 HG22 VAL 587 HG22 VAL 587 29.744 1.820 -1.147 14 HG23 VAL 587 HG23 VAL 587 28.354 2.182 -2.169 15 H ARG 588 H ARG 588 29.172 -1.548 1.481 16 HA ARG 588 HA ARG 588 28.023 -4.201 1.085 17 HB2 ARG 588 HB2 ARG 588 29.917 -4.015 2.623 18 HB3 ARG 588 HB3 ARG 588 29.034 -2.850 3.597 19 HG2 ARG 588 HG2 ARG 588 27.401 -4.548 4.196 20 HG3 ARG 588 HG3 ARG 588 28.224 -5.722 3.167 21 HD2 ARG 588 HD2 ARG 588 30.247 -5.475 4.576 22 HD3 ARG 588 HD3 ARG 588 29.351 -4.385 5.630 23 HE ARG 588 HE ARG 588 28.211 -6.193 6.512 24 HH11 ARG 588 HH11 ARG 588 30.152 -7.289 3.794 25 HH12 ARG 588 HH12 ARG 588 29.932 -8.966 4.169 26 HH21 ARG 588 HH21 ARG 588 27.936 -8.392 6.978 27 HH22 ARG 588 HH22 ARG 588 28.677 -9.588 5.968 28 H LYS 589 H LYS 589 25.963 -4.702 1.442 29 HA LYS 589 HA LYS 589 24.244 -2.722 2.793 30 HB2 LYS 589 HB2 LYS 589 23.565 -4.567 0.492 31 HB3 LYS 589 HB3 LYS 589 22.392 -3.589 1.353 32 HG2 LYS 589 HG2 LYS 589 23.508 -1.555 0.589 33 HG3 LYS 589 HG3 LYS 589 24.719 -2.526 -0.240 34 HD2 LYS 589 HD2 LYS 589 22.978 -3.444 -1.700 35 HD3 LYS 589 HD3 LYS 589 21.765 -2.465 -0.870 36 HE2 LYS 589 HE2 LYS 589 22.964 -0.430 -1.580 37 HE3 LYS 589 HE3 LYS 589 24.129 -1.433 -2.440 38 HZ1 LYS 589 HZ1 LYS 589 21.220 -1.274 -3.027 39 HZ2 LYS 589 HZ2 LYS 589 22.339 -2.234 -3.857 40 HZ3 LYS 589 HZ3 LYS 589 22.451 -0.548 -3.933 41 H GLY 590 H GLY 590 23.342 -3.378 4.603 42 HA2 GLY 590 HA2 GLY 590 23.305 -6.159 5.399 43 HA3 GLY 590 HA3 GLY 590 22.751 -4.792 6.350 44 H TRP 591 H TRP 591 21.055 -3.879 4.068 45 HA TRP 591 HA TRP 591 18.684 -5.378 4.808 46 HB2 TRP 591 HB2 TRP 591 17.469 -3.595 3.601 47 HB3 TRP 591 HB3 TRP 591 18.562 -2.954 4.816 48 HD1 TRP 591 HD1 TRP 591 20.640 -1.496 3.957 49 HE1 TRP 591 HE1 TRP 591 21.118 -0.313 1.723 50 HE3 TRP 591 HE3 TRP 591 17.112 -3.797 1.041 51 HZ2 TRP 591 HZ2 TRP 591 20.119 -0.339 -0.918 52 HZ3 TRP 591 HZ3 TRP 591 16.941 -3.152 -1.326 53 HH2 TRP 591 HH2 TRP 591 18.415 -1.457 -2.284 54 H HIS 592 H HIS 592 20.681 -4.955 1.935 55 HA HIS 592 HA HIS 592 18.843 -6.032 0.054 56 HB2 HIS 592 HB2 HIS 592 20.607 -4.663 -0.783 57 HB3 HIS 592 HB3 HIS 592 21.839 -5.618 0.022 58 HD1 HIS 592 HD1 HIS 592 22.955 -7.366 -1.356 59 HD2 HIS 592 HD2 HIS 592 19.384 -6.095 -3.054 60 HE1 HIS 592 HE1 HIS 592 22.830 -8.507 -3.594 61 HE2 HIS 592 HE2 HIS 592 20.614 -7.798 -4.560 62 H GLU 593 H GLU 593 21.345 -7.502 2.079 63 HA GLU 593 HA GLU 593 20.969 -10.135 0.923 64 HB2 GLU 593 HB2 GLU 593 22.637 -9.204 3.251 65 HB3 GLU 593 HB3 GLU 593 22.606 -10.858 2.657 66 HG2 GLU 593 HG2 GLU 593 23.480 -10.123 0.518 67 HG3 GLU 593 HG3 GLU 593 23.444 -8.450 1.064 68 H HIS 594 H HIS 594 19.471 -8.268 3.278 69 HA HIS 594 HA HIS 594 18.499 -10.541 4.841 70 HB2 HIS 594 HB2 HIS 594 18.560 -7.560 5.241 71 HB3 HIS 594 HB3 HIS 594 17.432 -8.535 6.162 72 HD1 HIS 594 HD1 HIS 594 20.359 -10.548 5.872 73 HD2 HIS 594 HD2 HIS 594 19.278 -7.246 8.155 74 HE1 HIS 594 HE1 HIS 594 21.968 -10.520 7.806 75 HE2 HIS 594 HE2 HIS 594 21.236 -8.572 9.229 76 H VAL 595 H VAL 595 17.435 -8.238 2.424 77 HA VAL 595 HA VAL 595 14.631 -8.907 2.796 78 HB VAL 595 HB VAL 595 15.981 -7.063 0.793 79 HG11 VAL 595 HG11 VAL 595 13.978 -8.026 -0.256 80 HG12 VAL 595 HG12 VAL 595 13.746 -6.316 0.114 81 HG13 VAL 595 HG13 VAL 595 13.014 -7.548 1.143 82 HG21 VAL 595 HG21 VAL 595 14.162 -6.506 3.139 83 HG22 VAL 595 HG22 VAL 595 14.831 -5.296 2.038 84 HG23 VAL 595 HG23 VAL 595 15.907 -6.224 3.081 85 H THR 596 H THR 596 13.592 -10.464 1.738 86 HA THR 596 HA THR 596 14.993 -11.905 -0.415 87 HB THR 596 HB THR 596 13.692 -13.865 0.156 88 HG1 THR 596 HG1 THR 596 11.748 -13.089 0.832 89 HG21 THR 596 HG21 THR 596 15.723 -13.530 1.450 90 HG22 THR 596 HG22 THR 596 14.481 -14.310 2.427 91 HG23 THR 596 HG23 THR 596 14.824 -12.594 2.645 92 H GLN 597 H GLN 597 13.308 -13.186 -1.824 93 HA GLN 597 HA GLN 597 11.431 -11.369 -3.019 94 HB2 GLN 597 HB2 GLN 597 11.970 -14.312 -3.490 95 HB3 GLN 597 HB3 GLN 597 10.790 -13.384 -4.397 96 HG2 GLN 597 HG2 GLN 597 12.567 -11.926 -5.230 97 HG3 GLN 597 HG3 GLN 597 13.747 -12.851 -4.317 98 HE21 GLN 597 HE21 GLN 597 11.373 -14.890 -5.565 99 HE22 GLN 597 HE22 GLN 597 12.208 -15.420 -6.982 100 H ASP 598 H ASP 598 11.376 -13.611 -0.437 101 HA ASP 598 HA ASP 598 8.513 -14.098 -0.509 102 HB2 ASP 598 HB2 ASP 598 10.638 -14.860 1.516 103 HB3 ASP 598 HB3 ASP 598 8.954 -15.359 1.606 104 H LEU 599 H LEU 599 10.784 -12.002 1.239 105 HA LEU 599 HA LEU 599 8.973 -11.025 3.164 106 HB2 LEU 599 HB2 LEU 599 11.505 -9.930 1.990 107 HB3 LEU 599 HB3 LEU 599 10.552 -8.930 3.065 108 HG LEU 599 HG LEU 599 11.746 -11.617 3.800 109 HD11 LEU 599 HD11 LEU 599 12.597 -8.788 4.402 110 HD12 LEU 599 HD12 LEU 599 13.481 -9.992 3.450 111 HD13 LEU 599 HD13 LEU 599 13.265 -10.224 5.183 112 HD21 LEU 599 HD21 LEU 599 11.082 -11.218 6.020 113 HD22 LEU 599 HD22 LEU 599 9.654 -10.798 5.075 114 HD23 LEU 599 HD23 LEU 599 10.709 -9.530 5.695 115 H ARG 600 H ARG 600 9.806 -9.814 -0.076 116 HA ARG 600 HA ARG 600 8.396 -7.401 -0.005 117 HB2 ARG 600 HB2 ARG 600 9.092 -9.212 -2.325 118 HB3 ARG 600 HB3 ARG 600 8.329 -7.644 -2.544 119 HG2 ARG 600 HG2 ARG 600 10.238 -6.541 -1.531 120 HG3 ARG 600 HG3 ARG 600 10.982 -8.111 -1.209 121 HD2 ARG 600 HD2 ARG 600 11.151 -8.547 -3.596 122 HD3 ARG 600 HD3 ARG 600 10.322 -7.034 -3.954 123 HE ARG 600 HE ARG 600 12.538 -6.355 -2.451 124 HH11 ARG 600 HH11 ARG 600 11.986 -7.899 -5.560 125 HH12 ARG 600 HH12 ARG 600 13.488 -7.350 -6.227 126 HH21 ARG 600 HH21 ARG 600 14.496 -5.652 -3.346 127 HH22 ARG 600 HH22 ARG 600 14.905 -6.078 -4.975 128 H SER 601 H SER 601 7.304 -10.644 -0.701 129 HA SER 601 HA SER 601 4.684 -9.938 -1.619 130 HB2 SER 601 HB2 SER 601 4.202 -12.331 -1.448 131 HB3 SER 601 HB3 SER 601 5.799 -12.102 -2.155 132 HG SER 601 HG SER 601 6.491 -13.329 -0.611 133 H HIS 602 H HIS 602 6.123 -10.492 1.519 134 HA HIS 602 HA HIS 602 3.583 -10.538 2.929 135 HB2 HIS 602 HB2 HIS 602 6.452 -10.543 3.902 136 HB3 HIS 602 HB3 HIS 602 5.057 -10.609 4.968 137 HD1 HIS 602 HD1 HIS 602 3.354 -12.764 4.114 138 HD2 HIS 602 HD2 HIS 602 7.462 -13.014 3.537 139 HE1 HIS 602 HE1 HIS 602 3.847 -15.215 3.843 140 HE2 HIS 602 HE2 HIS 602 6.346 -15.347 3.543 141 H LEU 603 H LEU 603 5.939 -8.227 1.926 142 HA LEU 603 HA LEU 603 5.195 -6.090 3.721 143 HB2 LEU 603 HB2 LEU 603 6.696 -6.092 1.091 144 HB3 LEU 603 HB3 LEU 603 6.469 -4.691 2.096 145 HG LEU 603 HG LEU 603 8.088 -7.124 2.883 146 HD11 LEU 603 HD11 LEU 603 9.176 -5.970 1.101 147 HD12 LEU 603 HD12 LEU 603 10.025 -5.650 2.618 148 HD13 LEU 603 HD13 LEU 603 8.956 -4.423 1.923 149 HD21 LEU 603 HD21 LEU 603 7.866 -4.458 4.248 150 HD22 LEU 603 HD22 LEU 603 8.996 -5.743 4.670 151 HD23 LEU 603 HD23 LEU 603 7.262 -5.999 4.855 152 H VAL 604 H VAL 604 4.402 -7.086 0.425 153 HA VAL 604 HA VAL 604 2.490 -5.067 -0.173 154 HB VAL 604 HB VAL 604 3.070 -7.810 -1.334 155 HG11 VAL 604 HG11 VAL 604 1.165 -7.831 -2.474 156 HG12 VAL 604 HG12 VAL 604 1.601 -6.286 -3.206 157 HG13 VAL 604 HG13 VAL 604 0.669 -6.325 -1.705 158 HG21 VAL 604 HG21 VAL 604 3.530 -5.015 -2.358 159 HG22 VAL 604 HG22 VAL 604 3.884 -6.500 -3.245 160 HG23 VAL 604 HG23 VAL 604 4.754 -6.140 -1.757 161 H HIS 605 H HIS 605 2.306 -8.303 1.289 162 HA HIS 605 HA HIS 605 -0.548 -8.342 1.542 163 HB2 HIS 605 HB2 HIS 605 0.878 -10.399 1.508 164 HB3 HIS 605 HB3 HIS 605 1.501 -9.948 3.089 165 HD1 HIS 605 HD1 HIS 605 -1.907 -10.640 1.528 166 HD2 HIS 605 HD2 HIS 605 0.135 -11.118 5.116 167 HE1 HIS 605 HE1 HIS 605 -3.493 -11.865 3.048 168 HE2 HIS 605 HE2 HIS 605 -2.252 -12.105 5.228 169 H LYS 606 H LYS 606 1.994 -6.842 3.240 170 HA LYS 606 HA LYS 606 0.546 -6.389 5.728 171 HB2 LYS 606 HB2 LYS 606 3.254 -5.852 4.628 172 HB3 LYS 606 HB3 LYS 606 2.653 -4.684 5.793 173 HG2 LYS 606 HG2 LYS 606 2.371 -6.465 7.442 174 HG3 LYS 606 HG3 LYS 606 2.970 -7.643 6.268 175 HD2 LYS 606 HD2 LYS 606 5.092 -6.457 6.172 176 HD3 LYS 606 HD3 LYS 606 4.470 -5.244 7.300 177 HE2 LYS 606 HE2 LYS 606 4.255 -6.922 9.021 178 HE3 LYS 606 HE3 LYS 606 4.724 -8.190 7.909 179 HZ1 LYS 606 HZ1 LYS 606 6.458 -5.950 8.804 180 HZ2 LYS 606 HZ2 LYS 606 6.909 -7.172 7.724 181 HZ3 LYS 606 HZ3 LYS 606 6.561 -7.553 9.334 182 H LEU 607 H LEU 607 0.982 -5.033 2.643 183 HA LEU 607 HA LEU 607 0.228 -2.318 3.279 184 HB2 LEU 607 HB2 LEU 607 1.251 -3.849 0.985 185 HB3 LEU 607 HB3 LEU 607 0.265 -2.459 0.578 186 HG LEU 607 HG LEU 607 2.721 -2.309 2.347 187 HD11 LEU 607 HD11 LEU 607 2.509 -1.512 -0.536 188 HD12 LEU 607 HD12 LEU 607 3.150 -3.069 -0.012 189 HD13 LEU 607 HD13 LEU 607 3.954 -1.573 0.470 190 HD21 LEU 607 HD21 LEU 607 1.199 -0.146 0.887 191 HD22 LEU 607 HD22 LEU 607 2.614 0.077 1.914 192 HD23 LEU 607 HD23 LEU 607 1.090 -0.467 2.619 193 H VAL 608 H VAL 608 -1.181 -5.163 1.707 194 HA VAL 608 HA VAL 608 -3.576 -3.854 0.826 195 HB VAL 608 HB VAL 608 -2.820 -6.789 1.012 196 HG11 VAL 608 HG11 VAL 608 -4.804 -7.296 -0.346 197 HG12 VAL 608 HG12 VAL 608 -5.329 -5.618 -0.201 198 HG13 VAL 608 HG13 VAL 608 -5.245 -6.641 1.232 199 HG21 VAL 608 HG21 VAL 608 -1.635 -5.455 -0.681 200 HG22 VAL 608 HG22 VAL 608 -3.184 -4.979 -1.379 201 HG23 VAL 608 HG23 VAL 608 -2.685 -6.669 -1.411 202 H GLN 609 H GLN 609 -2.603 -5.396 3.804 203 HA GLN 609 HA GLN 609 -5.294 -5.799 4.744 204 HB2 GLN 609 HB2 GLN 609 -2.620 -6.252 6.025 205 HB3 GLN 609 HB3 GLN 609 -4.110 -6.383 6.946 206 HG2 GLN 609 HG2 GLN 609 -3.309 -8.038 4.557 207 HG3 GLN 609 HG3 GLN 609 -3.379 -8.532 6.246 208 HE21 GLN 609 HE21 GLN 609 -4.813 -9.180 3.558 209 HE22 GLN 609 HE22 GLN 609 -6.470 -9.311 4.031 210 H ALA 610 H ALA 610 -2.850 -3.369 4.990 211 HA ALA 610 HA ALA 610 -4.116 -1.882 7.107 212 HB1 ALA 610 HB1 ALA 610 -2.432 -0.173 6.554 213 HB2 ALA 610 HB2 ALA 610 -1.925 -1.153 5.175 214 HB3 ALA 610 HB3 ALA 610 -1.722 -1.767 6.816 215 H ILE 611 H ILE 611 -4.143 -1.857 3.586 216 HA ILE 611 HA ILE 611 -5.594 0.620 3.356 217 HB ILE 611 HB ILE 611 -5.004 -1.521 1.282 218 HG12 ILE 611 HG12 ILE 611 -3.839 1.243 1.616 219 HG13 ILE 611 HG13 ILE 611 -3.072 -0.214 2.195 220 HG21 ILE 611 HG21 ILE 611 -6.320 1.171 0.966 221 HG22 ILE 611 HG22 ILE 611 -6.994 -0.404 0.551 222 HG23 ILE 611 HG23 ILE 611 -5.643 0.253 -0.375 223 HD11 ILE 611 HD11 ILE 611 -2.019 0.419 0.151 224 HD12 ILE 611 HD12 ILE 611 -3.572 0.578 -0.661 225 HD13 ILE 611 HD13 ILE 611 -2.990 -1.016 -0.178 226 H PHE 612 H PHE 612 -6.464 -2.815 2.731 227 HA PHE 612 HA PHE 612 -9.107 -2.257 3.847 228 HB2 PHE 612 HB2 PHE 612 -9.276 -2.211 1.354 229 HB3 PHE 612 HB3 PHE 612 -8.656 -3.854 1.303 230 HD1 PHE 612 HD1 PHE 612 -11.536 -1.748 2.125 231 HD2 PHE 612 HD2 PHE 612 -10.024 -5.715 1.933 232 HE1 PHE 612 HE1 PHE 612 -13.830 -2.623 2.332 233 HE2 PHE 612 HE2 PHE 612 -12.315 -6.605 2.133 234 HZ PHE 612 HZ PHE 612 -14.241 -5.005 2.324 235 HA PRO 613 HA PRO 613 -7.649 -6.045 6.048 236 HB2 PRO 613 HB2 PRO 613 -9.986 -5.334 7.736 237 HB3 PRO 613 HB3 PRO 613 -8.345 -5.755 8.222 238 HG2 PRO 613 HG2 PRO 613 -9.094 -3.292 8.362 239 HG3 PRO 613 HG3 PRO 613 -7.614 -3.612 7.749 240 HD2 PRO 613 HD2 PRO 613 -10.056 -3.063 6.152 241 HD3 PRO 613 HD3 PRO 613 -8.600 -2.358 5.931 242 H THR 614 H THR 614 -8.360 -8.098 5.745 243 HA THR 614 HA THR 614 -10.951 -8.402 4.421 244 HB THR 614 HB THR 614 -10.056 -10.533 3.537 245 HG1 THR 614 HG1 THR 614 -8.200 -10.268 5.285 246 HG21 THR 614 HG21 THR 614 -10.065 -8.573 2.145 247 HG22 THR 614 HG22 THR 614 -8.581 -9.484 1.856 248 HG23 THR 614 HG23 THR 614 -8.541 -8.023 2.845 249 HA PRO 615 HA PRO 615 -12.402 -10.940 7.965 250 HB2 PRO 615 HB2 PRO 615 -14.633 -10.932 5.993 251 HB3 PRO 615 HB3 PRO 615 -14.698 -10.798 7.738 252 HG2 PRO 615 HG2 PRO 615 -14.999 -8.653 6.384 253 HG3 PRO 615 HG3 PRO 615 -13.950 -8.589 7.634 254 HD2 PRO 615 HD2 PRO 615 -13.238 -8.940 4.797 255 HD3 PRO 615 HD3 PRO 615 -12.539 -7.894 5.838 256 H ASP 616 H ASP 616 -13.182 -11.530 4.571 257 HA ASP 616 HA ASP 616 -12.664 -14.409 4.890 258 HB2 ASP 616 HB2 ASP 616 -14.883 -13.564 3.946 259 HB3 ASP 616 HB3 ASP 616 -13.975 -13.083 2.516 260 HA PRO 617 HA PRO 617 -8.745 -13.859 2.626 261 HB2 PRO 617 HB2 PRO 617 -8.245 -16.510 2.262 262 HB3 PRO 617 HB3 PRO 617 -7.929 -15.673 3.785 263 HG2 PRO 617 HG2 PRO 617 -10.312 -17.247 3.063 264 HG3 PRO 617 HG3 PRO 617 -9.365 -17.419 4.383 265 HD2 PRO 617 HD2 PRO 617 -11.513 -15.917 4.696 266 HD3 PRO 617 HD3 PRO 617 -10.126 -15.310 5.307 267 H ALA 618 H ALA 618 -11.701 -15.167 1.510 268 HA ALA 618 HA ALA 618 -10.850 -16.065 -1.080 269 HB1 ALA 618 HB1 ALA 618 -12.818 -16.993 0.055 270 HB2 ALA 618 HB2 ALA 618 -13.213 -16.356 -1.541 271 HB3 ALA 618 HB3 ALA 618 -13.628 -15.434 -0.096 272 H ALA 619 H ALA 619 -11.269 -12.981 0.189 273 HA ALA 619 HA ALA 619 -12.303 -11.670 -2.170 274 HB1 ALA 619 HB1 ALA 619 -10.998 -10.442 0.251 275 HB2 ALA 619 HB2 ALA 619 -12.715 -10.836 0.133 276 HB3 ALA 619 HB3 ALA 619 -12.009 -9.622 -0.939 277 H LEU 620 H LEU 620 -9.313 -12.924 -1.376 278 HA LEU 620 HA LEU 620 -7.647 -10.834 -2.429 279 HB2 LEU 620 HB2 LEU 620 -7.022 -13.656 -1.554 280 HB3 LEU 620 HB3 LEU 620 -5.818 -12.504 -2.061 281 HG LEU 620 HG LEU 620 -7.553 -12.292 0.410 282 HD11 LEU 620 HD11 LEU 620 -4.581 -12.744 0.201 283 HD12 LEU 620 HD12 LEU 620 -5.776 -13.989 0.561 284 HD13 LEU 620 HD13 LEU 620 -5.539 -12.645 1.679 285 HD21 LEU 620 HD21 LEU 620 -7.076 -10.087 -0.527 286 HD22 LEU 620 HD22 LEU 620 -5.351 -10.443 -0.482 287 HD23 LEU 620 HD23 LEU 620 -6.270 -10.337 1.021 288 H LYS 621 H LYS 621 -9.485 -13.264 -3.825 289 HA LYS 621 HA LYS 621 -7.752 -13.498 -6.191 290 HB2 LYS 621 HB2 LYS 621 -9.016 -15.483 -6.763 291 HB3 LYS 621 HB3 LYS 621 -8.488 -15.612 -5.096 292 HG2 LYS 621 HG2 LYS 621 -10.743 -14.993 -4.343 293 HG3 LYS 621 HG3 LYS 621 -11.262 -14.871 -6.024 294 HD2 LYS 621 HD2 LYS 621 -10.613 -17.278 -6.299 295 HD3 LYS 621 HD3 LYS 621 -10.353 -17.352 -4.559 296 HE2 LYS 621 HE2 LYS 621 -12.938 -16.500 -5.818 297 HE3 LYS 621 HE3 LYS 621 -12.586 -18.175 -5.418 298 HZ1 LYS 621 HZ1 LYS 621 -13.859 -17.097 -3.669 299 HZ2 LYS 621 HZ2 LYS 621 -12.658 -15.922 -3.481 300 HZ3 LYS 621 HZ3 LYS 621 -12.326 -17.536 -3.103 301 H ASP 622 H ASP 622 -9.732 -11.316 -5.253 302 HA ASP 622 HA ASP 622 -11.783 -11.327 -7.302 303 HB2 ASP 622 HB2 ASP 622 -11.120 -9.555 -4.959 304 HB3 ASP 622 HB3 ASP 622 -12.293 -9.043 -6.166 305 H ARG 623 H ARG 623 -12.147 -9.326 -8.615 306 HA ARG 623 HA ARG 623 -9.766 -8.708 -10.105 307 HB2 ARG 623 HB2 ARG 623 -11.882 -9.199 -11.237 308 HB3 ARG 623 HB3 ARG 623 -12.640 -7.819 -10.465 309 HG2 ARG 623 HG2 ARG 623 -12.129 -7.321 -12.774 310 HG3 ARG 623 HG3 ARG 623 -11.138 -6.325 -11.703 311 HD2 ARG 623 HD2 ARG 623 -9.244 -7.831 -12.043 312 HD3 ARG 623 HD3 ARG 623 -10.238 -8.860 -13.073 313 HE ARG 623 HE ARG 623 -10.393 -6.461 -14.298 314 HH11 ARG 623 HH11 ARG 623 -7.624 -8.333 -13.210 315 HH12 ARG 623 HH12 ARG 623 -6.578 -7.714 -14.445 316 HH21 ARG 623 HH21 ARG 623 -9.005 -5.669 -15.904 317 HH22 ARG 623 HH22 ARG 623 -7.360 -6.209 -15.966 318 H ARG 624 H ARG 624 -12.180 -6.728 -8.367 319 HA ARG 624 HA ARG 624 -10.901 -4.245 -8.675 320 HB2 ARG 624 HB2 ARG 624 -12.872 -5.214 -6.602 321 HB3 ARG 624 HB3 ARG 624 -12.328 -3.548 -6.697 322 HG2 ARG 624 HG2 ARG 624 -13.761 -5.017 -8.910 323 HG3 ARG 624 HG3 ARG 624 -14.531 -3.931 -7.756 324 HD2 ARG 624 HD2 ARG 624 -12.256 -3.034 -9.513 325 HD3 ARG 624 HD3 ARG 624 -13.929 -2.989 -10.062 326 HE ARG 624 HE ARG 624 -12.824 -1.428 -7.823 327 HH11 ARG 624 HH11 ARG 624 -15.327 -1.905 -10.243 328 HH12 ARG 624 HH12 ARG 624 -16.109 -0.398 -9.896 329 HH21 ARG 624 HH21 ARG 624 -13.869 0.537 -7.384 330 HH22 ARG 624 HH22 ARG 624 -15.283 0.980 -8.281 331 H MET 625 H MET 625 -10.366 -6.797 -6.354 332 HA MET 625 HA MET 625 -8.812 -5.250 -4.501 333 HB2 MET 625 HB2 MET 625 -10.032 -7.321 -3.871 334 HB3 MET 625 HB3 MET 625 -8.971 -8.244 -4.918 335 HG2 MET 625 HG2 MET 625 -8.297 -8.558 -2.641 336 HG3 MET 625 HG3 MET 625 -7.061 -7.628 -3.476 337 HE1 MET 625 HE1 MET 625 -9.204 -7.722 -0.169 338 HE2 MET 625 HE2 MET 625 -10.337 -7.264 -1.439 339 HE3 MET 625 HE3 MET 625 -9.898 -6.104 -0.185 340 H GLU 626 H GLU 626 -8.126 -7.357 -7.237 341 HA GLU 626 HA GLU 626 -5.346 -7.534 -6.994 342 HB2 GLU 626 HB2 GLU 626 -6.679 -9.055 -8.372 343 HB3 GLU 626 HB3 GLU 626 -7.075 -7.738 -9.464 344 HG2 GLU 626 HG2 GLU 626 -4.741 -7.558 -10.126 345 HG3 GLU 626 HG3 GLU 626 -4.306 -8.831 -8.988 346 H ASN 627 H ASN 627 -7.308 -4.908 -8.034 347 HA ASN 627 HA ASN 627 -5.513 -3.672 -9.871 348 HB2 ASN 627 HB2 ASN 627 -7.993 -2.776 -8.420 349 HB3 ASN 627 HB3 ASN 627 -7.039 -1.622 -9.336 350 HD21 ASN 627 HD21 ASN 627 -9.707 -2.171 -9.942 351 HD22 ASN 627 HD22 ASN 627 -9.781 -2.964 -11.475 352 H LEU 628 H LEU 628 -6.128 -3.171 -6.382 353 HA LEU 628 HA LEU 628 -4.062 -1.146 -6.291 354 HB2 LEU 628 HB2 LEU 628 -5.814 -2.198 -4.080 355 HB3 LEU 628 HB3 LEU 628 -4.606 -0.958 -3.868 356 HG LEU 628 HG LEU 628 -7.107 -0.694 -5.554 357 HD11 LEU 628 HD11 LEU 628 -7.911 0.768 -3.826 358 HD12 LEU 628 HD12 LEU 628 -6.388 0.627 -2.941 359 HD13 LEU 628 HD13 LEU 628 -7.455 -0.771 -3.080 360 HD21 LEU 628 HD21 LEU 628 -5.345 0.644 -6.475 361 HD22 LEU 628 HD22 LEU 628 -4.898 1.227 -4.868 362 HD23 LEU 628 HD23 LEU 628 -6.440 1.704 -5.581 363 H VAL 629 H VAL 629 -4.388 -4.533 -5.632 364 HA VAL 629 HA VAL 629 -1.992 -5.105 -4.316 365 HB VAL 629 HB VAL 629 -3.584 -6.561 -6.417 366 HG11 VAL 629 HG11 VAL 629 -0.942 -7.556 -5.340 367 HG12 VAL 629 HG12 VAL 629 -1.310 -7.141 -7.020 368 HG13 VAL 629 HG13 VAL 629 -2.102 -8.523 -6.253 369 HG21 VAL 629 HG21 VAL 629 -4.388 -6.607 -4.127 370 HG22 VAL 629 HG22 VAL 629 -2.835 -7.236 -3.576 371 HG23 VAL 629 HG23 VAL 629 -3.862 -8.216 -4.623 372 H ALA 630 H ALA 630 -2.647 -4.108 -7.584 373 HA ALA 630 HA ALA 630 0.032 -4.399 -8.558 374 HB1 ALA 630 HB1 ALA 630 -2.429 -3.079 -9.695 375 HB2 ALA 630 HB2 ALA 630 -1.819 -4.698 -10.053 376 HB3 ALA 630 HB3 ALA 630 -0.904 -3.277 -10.569 377 H TYR 631 H TYR 631 -1.775 -1.949 -6.897 378 HA TYR 631 HA TYR 631 0.052 0.206 -7.394 379 HB2 TYR 631 HB2 TYR 631 -2.202 0.794 -6.694 380 HB3 TYR 631 HB3 TYR 631 -2.072 -0.207 -5.258 381 HD1 TYR 631 HD1 TYR 631 -0.153 2.650 -6.777 382 HD2 TYR 631 HD2 TYR 631 -1.887 0.940 -3.271 383 HE1 TYR 631 HE1 TYR 631 0.655 4.557 -5.452 384 HE2 TYR 631 HE2 TYR 631 -1.073 2.846 -1.946 385 HH TYR 631 HH TYR 631 0.114 5.695 -3.341 386 H ALA 632 H ALA 632 -0.272 -2.303 -4.909 387 HA ALA 632 HA ALA 632 1.873 -1.184 -3.312 388 HB1 ALA 632 HB1 ALA 632 0.052 -3.530 -2.951 389 HB2 ALA 632 HB2 ALA 632 0.164 -2.050 -1.993 390 HB3 ALA 632 HB3 ALA 632 1.450 -3.262 -1.908 391 H LYS 633 H LYS 633 1.453 -3.716 -5.669 392 HA LYS 633 HA LYS 633 3.951 -5.047 -5.294 393 HB2 LYS 633 HB2 LYS 633 1.888 -4.893 -7.462 394 HB3 LYS 633 HB3 LYS 633 3.462 -5.554 -7.858 395 HG2 LYS 633 HG2 LYS 633 3.187 -7.307 -6.211 396 HG3 LYS 633 HG3 LYS 633 1.668 -6.598 -5.678 397 HD2 LYS 633 HD2 LYS 633 0.523 -7.285 -7.546 398 HD3 LYS 633 HD3 LYS 633 1.971 -7.345 -8.538 399 HE2 LYS 633 HE2 LYS 633 2.692 -9.370 -7.407 400 HE3 LYS 633 HE3 LYS 633 1.316 -9.269 -6.310 401 HZ1 LYS 633 HZ1 LYS 633 0.936 -10.881 -8.070 402 HZ2 LYS 633 HZ2 LYS 633 1.146 -9.684 -9.248 403 HZ3 LYS 633 HZ3 LYS 633 -0.166 -9.602 -8.185 404 H LYS 634 H LYS 634 2.994 -2.068 -6.582 405 HA LYS 634 HA LYS 634 5.085 -1.557 -8.485 406 HB2 LYS 634 HB2 LYS 634 2.865 -0.605 -8.688 407 HB3 LYS 634 HB3 LYS 634 3.045 0.203 -7.146 408 HG2 LYS 634 HG2 LYS 634 4.900 1.545 -8.138 409 HG3 LYS 634 HG3 LYS 634 4.543 0.762 -9.656 410 HD2 LYS 634 HD2 LYS 634 3.288 2.589 -10.047 411 HD3 LYS 634 HD3 LYS 634 2.098 1.729 -9.074 412 HE2 LYS 634 HE2 LYS 634 2.386 3.108 -7.267 413 HE3 LYS 634 HE3 LYS 634 4.072 3.435 -7.645 414 HZ1 LYS 634 HZ1 LYS 634 1.728 4.567 -9.077 415 HZ2 LYS 634 HZ2 LYS 634 3.348 4.884 -9.441 416 HZ3 LYS 634 HZ3 LYS 634 2.698 5.392 -7.964 417 H VAL 635 H VAL 635 4.413 -0.645 -5.113 418 HA VAL 635 HA VAL 635 6.098 1.641 -5.278 419 HB VAL 635 HB VAL 635 5.482 2.053 -2.921 420 HG11 VAL 635 HG11 VAL 635 2.961 2.212 -3.436 421 HG12 VAL 635 HG12 VAL 635 3.407 1.573 -5.032 422 HG13 VAL 635 HG13 VAL 635 4.099 3.092 -4.455 423 HG21 VAL 635 HG21 VAL 635 5.207 -0.199 -2.053 424 HG22 VAL 635 HG22 VAL 635 3.874 -0.503 -3.168 425 HG23 VAL 635 HG23 VAL 635 3.694 0.692 -1.879 426 H GLU 636 H GLU 636 6.550 -1.537 -3.764 427 HA GLU 636 HA GLU 636 8.669 -1.003 -2.037 428 HB2 GLU 636 HB2 GLU 636 8.051 -3.455 -3.681 429 HB3 GLU 636 HB3 GLU 636 9.400 -3.401 -2.558 430 HG2 GLU 636 HG2 GLU 636 6.500 -3.016 -1.847 431 HG3 GLU 636 HG3 GLU 636 7.453 -4.475 -1.576 432 H GLY 637 H GLY 637 8.748 -1.359 -5.548 433 HA2 GLY 637 HA2 GLY 637 11.571 -1.637 -5.840 434 HA3 GLY 637 HA3 GLY 637 10.438 -1.192 -7.104 435 H ASP 638 H ASP 638 9.540 1.094 -5.284 436 HA ASP 638 HA ASP 638 11.506 3.047 -6.149 437 HB2 ASP 638 HB2 ASP 638 8.829 3.326 -4.752 438 HB3 ASP 638 HB3 ASP 638 9.834 4.689 -5.228 439 H MET 639 H MET 639 10.721 1.275 -3.305 440 HA MET 639 HA MET 639 11.969 3.065 -1.417 441 HB2 MET 639 HB2 MET 639 11.006 0.209 -1.177 442 HB3 MET 639 HB3 MET 639 11.745 1.106 0.155 443 HG2 MET 639 HG2 MET 639 9.968 2.654 0.187 444 HG3 MET 639 HG3 MET 639 9.337 2.069 -1.335 445 HE1 MET 639 HE1 MET 639 7.384 0.537 -1.481 446 HE2 MET 639 HE2 MET 639 7.005 1.931 -0.466 447 HE3 MET 639 HE3 MET 639 6.447 0.321 0.001 448 H TYR 640 H TYR 640 13.025 0.568 -3.535 449 HA TYR 640 HA TYR 640 15.369 -0.224 -2.070 450 HB2 TYR 640 HB2 TYR 640 14.215 -1.771 -3.590 451 HB3 TYR 640 HB3 TYR 640 14.564 -0.706 -4.952 452 HD1 TYR 640 HD1 TYR 640 15.839 -3.315 -2.776 453 HD2 TYR 640 HD2 TYR 640 16.922 -0.457 -5.741 454 HE1 TYR 640 HE1 TYR 640 17.956 -4.505 -3.148 455 HE2 TYR 640 HE2 TYR 640 19.039 -1.648 -6.122 456 HH TYR 640 HH TYR 640 19.645 -4.757 -4.916 457 H GLU 641 H GLU 641 14.609 2.145 -4.523 458 HA GLU 641 HA GLU 641 17.397 2.773 -5.067 459 HB2 GLU 641 HB2 GLU 641 14.822 3.966 -6.115 460 HB3 GLU 641 HB3 GLU 641 16.414 4.515 -6.583 461 HG2 GLU 641 HG2 GLU 641 15.310 1.775 -7.050 462 HG3 GLU 641 HG3 GLU 641 15.442 3.046 -8.256 463 H SER 642 H SER 642 14.837 3.919 -3.024 464 HA SER 642 HA SER 642 16.016 6.565 -2.697 465 HB2 SER 642 HB2 SER 642 13.479 5.360 -1.570 466 HB3 SER 642 HB3 SER 642 14.004 7.024 -1.303 467 HG SER 642 HG SER 642 13.425 5.826 -3.811 468 H ALA 643 H ALA 643 15.261 3.731 -0.663 469 HA ALA 643 HA ALA 643 16.429 4.916 1.691 470 HB1 ALA 643 HB1 ALA 643 15.462 2.102 1.216 471 HB2 ALA 643 HB2 ALA 643 14.496 3.438 1.843 472 HB3 ALA 643 HB3 ALA 643 15.855 2.819 2.780 473 H ASN 644 H ASN 644 18.216 4.113 2.868 474 HA ASN 644 HA ASN 644 20.231 2.737 1.217 475 HB2 ASN 644 HB2 ASN 644 20.595 4.947 3.247 476 HB3 ASN 644 HB3 ASN 644 21.933 3.986 2.635 477 HD21 ASN 644 HD21 ASN 644 19.935 6.664 2.124 478 HD22 ASN 644 HD22 ASN 644 20.503 7.100 0.551 479 H SER 645 H SER 645 18.374 2.483 4.032 480 HA SER 645 HA SER 645 20.124 0.363 5.072 481 HB2 SER 645 HB2 SER 645 19.822 1.067 7.344 482 HB3 SER 645 HB3 SER 645 20.310 2.493 6.430 483 HG SER 645 HG SER 645 17.634 1.813 7.104 484 H ARG 646 H ARG 646 18.716 -0.791 6.998 485 HA ARG 646 HA ARG 646 16.508 -1.998 5.577 486 HB2 ARG 646 HB2 ARG 646 18.145 -3.348 6.852 487 HB3 ARG 646 HB3 ARG 646 17.618 -2.575 8.334 488 HG2 ARG 646 HG2 ARG 646 15.397 -3.584 8.072 489 HG3 ARG 646 HG3 ARG 646 15.920 -4.350 6.580 490 HD2 ARG 646 HD2 ARG 646 15.991 -5.990 8.321 491 HD3 ARG 646 HD3 ARG 646 17.649 -5.578 7.898 492 HE ARG 646 HE ARG 646 17.965 -4.820 10.024 493 HH11 ARG 646 HH11 ARG 646 14.495 -4.937 9.480 494 HH12 ARG 646 HH12 ARG 646 14.111 -4.537 11.120 495 HH21 ARG 646 HH21 ARG 646 17.436 -4.298 12.163 496 HH22 ARG 646 HH22 ARG 646 15.774 -4.174 12.637 497 H ASP 647 H ASP 647 16.930 0.087 8.396 498 HA ASP 647 HA ASP 647 14.182 -0.081 9.245 499 HB2 ASP 647 HB2 ASP 647 16.522 1.633 10.094 500 HB3 ASP 647 HB3 ASP 647 14.915 1.830 10.784 501 H GLU 648 H GLU 648 15.969 1.868 7.017 502 HA GLU 648 HA GLU 648 13.982 3.984 6.896 503 HB2 GLU 648 HB2 GLU 648 16.501 3.453 5.299 504 HB3 GLU 648 HB3 GLU 648 15.438 4.820 5.003 505 HG2 GLU 648 HG2 GLU 648 15.907 5.738 7.165 506 HG3 GLU 648 HG3 GLU 648 16.813 4.298 7.632 507 H TYR 649 H TYR 649 15.049 1.212 4.980 508 HA TYR 649 HA TYR 649 13.496 1.542 2.698 509 HB2 TYR 649 HB2 TYR 649 15.293 -0.071 2.774 510 HB3 TYR 649 HB3 TYR 649 14.528 -0.949 4.083 511 HD1 TYR 649 HD1 TYR 649 14.135 -0.060 0.508 512 HD2 TYR 649 HD2 TYR 649 13.154 -2.818 3.595 513 HE1 TYR 649 HE1 TYR 649 13.150 -1.551 -1.157 514 HE2 TYR 649 HE2 TYR 649 12.155 -4.329 1.928 515 HH TYR 649 HH TYR 649 12.611 -3.932 -1.419 516 H TYR 650 H TYR 650 12.696 -0.385 5.597 517 HA TYR 650 HA TYR 650 10.037 -0.971 4.869 518 HB2 TYR 650 HB2 TYR 650 11.401 -0.913 7.565 519 HB3 TYR 650 HB3 TYR 650 9.769 -1.519 7.312 520 HD1 TYR 650 HD1 TYR 650 12.470 -2.919 8.297 521 HD2 TYR 650 HD2 TYR 650 10.261 -2.911 4.659 522 HE1 TYR 650 HE1 TYR 650 13.363 -5.131 7.757 523 HE2 TYR 650 HE2 TYR 650 11.159 -5.130 4.106 524 HH TYR 650 HH TYR 650 13.101 -6.524 4.668 525 H HIS 651 H HIS 651 11.383 1.975 5.952 526 HA HIS 651 HA HIS 651 9.113 2.917 7.450 527 HB2 HIS 651 HB2 HIS 651 11.390 3.624 8.022 528 HB3 HIS 651 HB3 HIS 651 11.518 4.408 6.461 529 HD1 HIS 651 HD1 HIS 651 10.896 6.808 6.388 530 HD2 HIS 651 HD2 HIS 651 9.288 4.896 9.710 531 HE1 HIS 651 HE1 HIS 651 9.783 8.616 7.730 532 HE2 HIS 651 HE2 HIS 651 8.894 7.451 9.779 533 H LEU 652 H LEU 652 10.342 3.428 4.148 534 HA LEU 652 HA LEU 652 8.531 5.461 3.427 535 HB2 LEU 652 HB2 LEU 652 9.974 3.430 1.759 536 HB3 LEU 652 HB3 LEU 652 9.040 4.734 1.086 537 HG LEU 652 HG LEU 652 11.482 5.118 2.803 538 HD11 LEU 652 HD11 LEU 652 12.034 3.936 0.703 539 HD12 LEU 652 HD12 LEU 652 12.795 5.518 0.868 540 HD13 LEU 652 HD13 LEU 652 11.399 5.320 -0.189 541 HD21 LEU 652 HD21 LEU 652 9.969 7.050 1.077 542 HD22 LEU 652 HD22 LEU 652 11.495 7.389 1.897 543 HD23 LEU 652 HD23 LEU 652 10.048 7.030 2.841 544 H LEU 653 H LEU 653 8.165 1.996 3.649 545 HA LEU 653 HA LEU 653 5.724 1.898 2.093 546 HB2 LEU 653 HB2 LEU 653 5.866 -0.372 2.219 547 HB3 LEU 653 HB3 LEU 653 7.547 0.042 2.453 548 HG LEU 653 HG LEU 653 6.876 -0.090 5.018 549 HD11 LEU 653 HD11 LEU 653 4.869 -1.860 3.667 550 HD12 LEU 653 HD12 LEU 653 4.521 -0.419 4.620 551 HD13 LEU 653 HD13 LEU 653 5.228 -1.838 5.393 552 HD21 LEU 653 HD21 LEU 653 7.717 -2.267 5.128 553 HD22 LEU 653 HD22 LEU 653 8.509 -1.531 3.735 554 HD23 LEU 653 HD23 LEU 653 7.169 -2.655 3.495 555 H ALA 654 H ALA 654 6.649 2.088 5.470 556 HA ALA 654 HA ALA 654 4.047 1.481 6.541 557 HB1 ALA 654 HB1 ALA 654 6.388 2.817 7.895 558 HB2 ALA 654 HB2 ALA 654 6.122 1.074 7.797 559 HB3 ALA 654 HB3 ALA 654 4.981 2.092 8.677 560 H GLU 655 H GLU 655 5.799 4.434 5.686 561 HA GLU 655 HA GLU 655 3.847 6.202 6.813 562 HB2 GLU 655 HB2 GLU 655 6.195 6.902 6.491 563 HB3 GLU 655 HB3 GLU 655 5.978 6.811 4.750 564 HG2 GLU 655 HG2 GLU 655 4.377 8.619 4.823 565 HG3 GLU 655 HG3 GLU 655 4.481 8.680 6.580 566 H LYS 656 H LYS 656 4.177 4.617 3.705 567 HA LYS 656 HA LYS 656 2.107 6.047 2.363 568 HB2 LYS 656 HB2 LYS 656 3.336 3.308 1.988 569 HB3 LYS 656 HB3 LYS 656 2.102 3.955 0.935 570 HG2 LYS 656 HG2 LYS 656 3.610 5.786 0.297 571 HG3 LYS 656 HG3 LYS 656 4.854 5.110 1.352 572 HD2 LYS 656 HD2 LYS 656 4.951 3.095 -0.002 573 HD3 LYS 656 HD3 LYS 656 3.626 3.679 -1.012 574 HE2 LYS 656 HE2 LYS 656 5.616 4.107 -2.217 575 HE3 LYS 656 HE3 LYS 656 5.085 5.659 -1.571 576 HZ1 LYS 656 HZ1 LYS 656 6.691 5.414 0.224 577 HZ2 LYS 656 HZ2 LYS 656 7.459 5.358 -1.282 578 HZ3 LYS 656 HZ3 LYS 656 7.205 3.932 -0.409 579 H ILE 657 H ILE 657 2.310 3.499 4.671 580 HA ILE 657 HA ILE 657 -0.312 2.402 4.329 581 HB ILE 657 HB ILE 657 2.021 1.977 6.125 582 HG12 ILE 657 HG12 ILE 657 0.121 0.062 4.746 583 HG13 ILE 657 HG13 ILE 657 1.597 0.698 4.041 584 HG21 ILE 657 HG21 ILE 657 0.955 0.700 7.806 585 HG22 ILE 657 HG22 ILE 657 -0.616 0.832 7.016 586 HG23 ILE 657 HG23 ILE 657 0.119 2.257 7.749 587 HD11 ILE 657 HD11 ILE 657 1.915 -1.581 4.817 588 HD12 ILE 657 HD12 ILE 657 1.408 -1.120 6.442 589 HD13 ILE 657 HD13 ILE 657 2.905 -0.472 5.770 590 H TYR 658 H TYR 658 1.071 5.028 6.159 591 HA TYR 658 HA TYR 658 -1.197 5.295 7.938 592 HB2 TYR 658 HB2 TYR 658 1.289 6.970 7.554 593 HB3 TYR 658 HB3 TYR 658 0.055 7.314 8.753 594 HD1 TYR 658 HD1 TYR 658 3.207 6.200 8.593 595 HD2 TYR 658 HD2 TYR 658 -0.568 4.805 9.982 596 HE1 TYR 658 HE1 TYR 658 4.348 4.716 10.189 597 HE2 TYR 658 HE2 TYR 658 0.566 3.318 11.580 598 HH TYR 658 HH TYR 658 2.747 2.231 11.857 599 H LYS 659 H LYS 659 0.017 6.805 5.000 600 HA LYS 659 HA LYS 659 -1.633 9.131 5.083 601 HB2 LYS 659 HB2 LYS 659 0.452 9.069 3.803 602 HB3 LYS 659 HB3 LYS 659 -0.240 7.885 2.715 603 HG2 LYS 659 HG2 LYS 659 -1.876 9.517 1.957 604 HG3 LYS 659 HG3 LYS 659 -1.226 10.711 3.078 605 HD2 LYS 659 HD2 LYS 659 0.918 10.676 1.898 606 HD3 LYS 659 HD3 LYS 659 0.308 9.448 0.789 607 HE2 LYS 659 HE2 LYS 659 -1.456 11.057 0.103 608 HE3 LYS 659 HE3 LYS 659 -0.659 12.285 1.081 609 HZ1 LYS 659 HZ1 LYS 659 -0.005 12.440 -1.242 610 HZ2 LYS 659 HZ2 LYS 659 0.566 10.849 -1.215 611 HZ3 LYS 659 HZ3 LYS 659 1.324 12.035 -0.277 612 H ILE 660 H ILE 660 -2.044 5.936 3.736 613 HA ILE 660 HA ILE 660 -4.431 6.572 2.249 614 HB ILE 660 HB ILE 660 -3.192 3.912 3.031 615 HG12 ILE 660 HG12 ILE 660 -3.462 5.189 0.299 616 HG13 ILE 660 HG13 ILE 660 -2.048 5.416 1.318 617 HG21 ILE 660 HG21 ILE 660 -4.798 2.917 1.386 618 HG22 ILE 660 HG22 ILE 660 -5.649 4.460 1.359 619 HG23 ILE 660 HG23 ILE 660 -5.555 3.531 2.856 620 HD11 ILE 660 HD11 ILE 660 -1.539 3.739 -0.291 621 HD12 ILE 660 HD12 ILE 660 -3.020 2.854 0.073 622 HD13 ILE 660 HD13 ILE 660 -1.722 2.932 1.270 623 H GLN 661 H GLN 661 -3.650 5.360 5.432 624 HA GLN 661 HA GLN 661 -6.248 4.784 6.370 625 HB2 GLN 661 HB2 GLN 661 -3.670 5.509 7.734 626 HB3 GLN 661 HB3 GLN 661 -5.142 5.233 8.650 627 HG2 GLN 661 HG2 GLN 661 -5.265 2.965 7.859 628 HG3 GLN 661 HG3 GLN 661 -3.917 3.222 6.768 629 HE21 GLN 661 HE21 GLN 661 -3.585 1.091 8.273 630 HE22 GLN 661 HE22 GLN 661 -2.514 1.375 9.601 631 H LYS 662 H LYS 662 -4.667 7.784 5.760 632 HA LYS 662 HA LYS 662 -6.191 9.413 7.584 633 HB2 LYS 662 HB2 LYS 662 -3.970 10.128 6.887 634 HB3 LYS 662 HB3 LYS 662 -4.494 10.168 5.219 635 HG2 LYS 662 HG2 LYS 662 -6.046 12.015 5.792 636 HG3 LYS 662 HG3 LYS 662 -5.417 12.005 7.421 637 HD2 LYS 662 HD2 LYS 662 -3.212 12.616 6.562 638 HD3 LYS 662 HD3 LYS 662 -3.835 12.608 4.918 639 HE2 LYS 662 HE2 LYS 662 -4.738 14.394 7.136 640 HE3 LYS 662 HE3 LYS 662 -3.659 14.861 5.841 641 HZ1 LYS 662 HZ1 LYS 662 -6.482 14.002 5.511 642 HZ2 LYS 662 HZ2 LYS 662 -5.433 14.418 4.252 643 HZ3 LYS 662 HZ3 LYS 662 -5.907 15.589 5.375 644 H GLU 663 H GLU 663 -6.409 8.627 4.131 645 HA GLU 663 HA GLU 663 -8.439 10.517 3.548 646 HB2 GLU 663 HB2 GLU 663 -7.369 8.143 2.042 647 HB3 GLU 663 HB3 GLU 663 -8.625 9.173 1.416 648 HG2 GLU 663 HG2 GLU 663 -5.818 10.023 2.067 649 HG3 GLU 663 HG3 GLU 663 -6.495 9.750 0.462 650 H LEU 664 H LEU 664 -8.495 7.068 4.308 651 HA LEU 664 HA LEU 664 -11.273 6.646 4.109 652 HB2 LEU 664 HB2 LEU 664 -9.229 5.286 5.868 653 HB3 LEU 664 HB3 LEU 664 -10.890 4.760 5.743 654 HG LEU 664 HG LEU 664 -8.941 4.795 3.429 655 HD11 LEU 664 HD11 LEU 664 -9.831 2.381 4.984 656 HD12 LEU 664 HD12 LEU 664 -8.292 3.205 5.234 657 HD13 LEU 664 HD13 LEU 664 -8.647 2.454 3.678 658 HD21 LEU 664 HD21 LEU 664 -11.601 3.424 3.660 659 HD22 LEU 664 HD22 LEU 664 -10.539 3.445 2.256 660 HD23 LEU 664 HD23 LEU 664 -11.319 4.932 2.796 661 H GLU 665 H GLU 665 -9.456 8.374 6.482 662 HA GLU 665 HA GLU 665 -11.238 8.164 8.687 663 HB2 GLU 665 HB2 GLU 665 -8.976 9.970 7.973 664 HB3 GLU 665 HB3 GLU 665 -10.065 10.448 9.267 665 HG2 GLU 665 HG2 GLU 665 -9.573 8.419 10.481 666 HG3 GLU 665 HG3 GLU 665 -8.551 7.845 9.166 667 H GLU 666 H GLU 666 -11.396 9.967 5.759 668 HA GLU 666 HA GLU 666 -13.249 11.972 6.615 669 HB2 GLU 666 HB2 GLU 666 -12.529 10.886 3.887 670 HB3 GLU 666 HB3 GLU 666 -13.678 12.193 4.124 671 HG2 GLU 666 HG2 GLU 666 -10.769 12.235 4.908 672 HG3 GLU 666 HG3 GLU 666 -11.473 13.026 3.505 673 H LYS 667 H LYS 667 -13.509 8.660 5.565 674 HA LYS 667 HA LYS 667 -16.395 8.734 5.236 675 HB2 LYS 667 HB2 LYS 667 -14.401 6.474 5.132 676 HB3 LYS 667 HB3 LYS 667 -16.133 6.248 4.970 677 HG2 LYS 667 HG2 LYS 667 -15.367 6.273 2.780 678 HG3 LYS 667 HG3 LYS 667 -15.981 7.909 3.029 679 HD2 LYS 667 HD2 LYS 667 -13.531 8.428 3.741 680 HD3 LYS 667 HD3 LYS 667 -13.152 6.954 2.857 681 HE2 LYS 667 HE2 LYS 667 -13.678 7.869 0.837 682 HE3 LYS 667 HE3 LYS 667 -14.873 8.962 1.528 683 HZ1 LYS 667 HZ1 LYS 667 -12.934 10.159 0.717 684 HZ2 LYS 667 HZ2 LYS 667 -11.925 9.271 1.745 685 HZ3 LYS 667 HZ3 LYS 667 -13.075 10.326 2.396 686 H ARG 668 H ARG 668 -14.101 8.093 7.733 687 HA ARG 668 HA ARG 668 -15.864 6.486 9.359 688 HB2 ARG 668 HB2 ARG 668 -13.095 7.569 9.792 689 HB3 ARG 668 HB3 ARG 668 -13.970 6.651 10.990 690 HG2 ARG 668 HG2 ARG 668 -14.035 4.721 9.527 691 HG3 ARG 668 HG3 ARG 668 -13.232 5.652 8.263 692 HD2 ARG 668 HD2 ARG 668 -11.281 5.934 9.692 693 HD3 ARG 668 HD3 ARG 668 -12.079 5.030 10.977 694 HE ARG 668 HE ARG 668 -12.124 3.246 9.001 695 HH11 ARG 668 HH11 ARG 668 -9.467 5.251 10.131 696 HH12 ARG 668 HH12 ARG 668 -8.255 4.102 9.668 697 HH21 ARG 668 HH21 ARG 668 -10.518 1.763 8.408 698 HH22 ARG 668 HH22 ARG 668 -8.850 2.132 8.694 699 H ARG 669 H ARG 669 -14.939 9.839 9.117 700 HA ARG 669 HA ARG 669 -16.171 10.527 11.669 701 HB2 ARG 669 HB2 ARG 669 -14.754 12.237 9.610 702 HB3 ARG 669 HB3 ARG 669 -15.462 12.856 11.089 703 HG2 ARG 669 HG2 ARG 669 -13.913 11.655 12.422 704 HG3 ARG 669 HG3 ARG 669 -13.319 10.747 11.025 705 HD2 ARG 669 HD2 ARG 669 -12.545 12.855 10.033 706 HD3 ARG 669 HD3 ARG 669 -13.117 13.703 11.465 707 HE ARG 669 HE ARG 669 -11.388 11.774 12.392 708 HH11 ARG 669 HH11 ARG 669 -11.096 14.508 10.202 709 HH12 ARG 669 HH12 ARG 669 -9.425 14.772 10.574 710 HH21 ARG 669 HH21 ARG 669 -9.203 12.141 12.860 711 HH22 ARG 669 HH22 ARG 669 -8.357 13.432 12.077 712 H SER 670 H SER 670 -17.125 10.195 8.443 713 HA SER 670 HA SER 670 -19.310 12.132 8.656 714 HB2 SER 670 HB2 SER 670 -19.671 11.668 6.260 715 HB3 SER 670 HB3 SER 670 -18.028 12.213 6.591 716 HG SER 670 HG SER 670 -17.777 10.472 5.301 717 H ARG 671 H ARG 671 -18.686 8.735 8.812 718 HA ARG 671 HA ARG 671 -21.494 8.029 8.484 719 HB2 ARG 671 HB2 ARG 671 -19.033 6.330 8.668 720 HB3 ARG 671 HB3 ARG 671 -20.664 5.710 8.567 721 HG2 ARG 671 HG2 ARG 671 -20.964 6.728 6.392 722 HG3 ARG 671 HG3 ARG 671 -19.338 7.372 6.482 723 HD2 ARG 671 HD2 ARG 671 -18.468 5.130 6.607 724 HD3 ARG 671 HD3 ARG 671 -20.091 4.468 6.468 725 HE ARG 671 HE ARG 671 -19.527 6.190 4.292 726 HH11 ARG 671 HH11 ARG 671 -18.743 2.969 5.458 727 HH12 ARG 671 HH12 ARG 671 -18.421 2.352 3.873 728 HH21 ARG 671 HH21 ARG 671 -19.097 5.358 2.230 729 HH22 ARG 671 HH22 ARG 671 -18.621 3.703 2.048 730 H LEU 672 H LEU 672 -19.033 8.260 10.859 731 HA LEU 672 HA LEU 672 -20.820 7.165 12.926 732 HB2 LEU 672 HB2 LEU 672 -17.806 7.403 12.991 733 HB3 LEU 672 HB3 LEU 672 -18.797 6.782 14.292 734 HG LEU 672 HG LEU 672 -18.564 5.494 11.566 735 HD11 LEU 672 HD11 LEU 672 -16.435 5.296 12.648 736 HD12 LEU 672 HD12 LEU 672 -17.257 3.742 12.742 737 HD13 LEU 672 HD13 LEU 672 -17.192 4.791 14.157 738 HD21 LEU 672 HD21 LEU 672 -20.671 5.023 12.666 739 HD22 LEU 672 HD22 LEU 672 -19.818 4.536 14.131 740 HD23 LEU 672 HD23 LEU 672 -19.648 3.587 12.655 741 H1 GLY 519 H1 GLY 519 12.116 -11.608 -20.770 742 H2 GLY 519 H2 GLY 519 11.953 -11.741 -22.448 743 H3 GLY 519 H3 GLY 519 11.601 -13.067 -21.457 744 HA2 GLY 519 HA2 GLY 519 9.564 -12.038 -22.225 745 HA3 GLY 519 HA3 GLY 519 9.735 -11.899 -20.482 746 H SER 520 H SER 520 9.135 -10.008 -19.727 747 HA SER 520 HA SER 520 8.651 -7.812 -19.486 748 HB2 SER 520 HB2 SER 520 10.952 -7.341 -19.318 749 HB3 SER 520 HB3 SER 520 11.232 -7.633 -21.033 750 HG SER 520 HG SER 520 10.167 -5.385 -19.751 751 HA PRO 521 HA PRO 521 6.166 -7.365 -23.371 752 HB2 PRO 521 HB2 PRO 521 4.071 -6.112 -22.135 753 HB3 PRO 521 HB3 PRO 521 4.230 -7.862 -22.226 754 HG2 PRO 521 HG2 PRO 521 4.925 -6.103 -20.012 755 HG3 PRO 521 HG3 PRO 521 4.151 -7.540 -19.965 756 HD2 PRO 521 HD2 PRO 521 6.651 -7.416 -19.372 757 HD3 PRO 521 HD3 PRO 521 6.074 -8.715 -20.176 758 H GLY 522 H GLY 522 6.988 -4.986 -20.902 759 HA2 GLY 522 HA2 GLY 522 8.138 -3.012 -22.181 760 HA3 GLY 522 HA3 GLY 522 6.494 -2.765 -22.753 761 H TYR 523 H TYR 523 8.558 -1.427 -20.784 762 HA TYR 523 HA TYR 523 6.605 -0.918 -18.635 763 HB2 TYR 523 HB2 TYR 523 9.635 -0.846 -18.487 764 HB3 TYR 523 HB3 TYR 523 8.556 -0.406 -17.172 765 HD1 TYR 523 HD1 TYR 523 10.355 -3.060 -18.739 766 HD2 TYR 523 HD2 TYR 523 6.968 -2.245 -16.293 767 HE1 TYR 523 HE1 TYR 523 10.341 -5.401 -17.985 768 HE2 TYR 523 HE2 TYR 523 6.949 -4.583 -15.531 769 HH TYR 523 HH TYR 523 7.734 -6.774 -16.296 770 HA PRO 524 HA PRO 524 7.164 3.176 -20.791 771 HB2 PRO 524 HB2 PRO 524 4.574 3.939 -20.807 772 HB3 PRO 524 HB3 PRO 524 5.245 2.875 -22.046 773 HG2 PRO 524 HG2 PRO 524 3.593 2.144 -19.736 774 HG3 PRO 524 HG3 PRO 524 3.553 1.529 -21.249 775 HD2 PRO 524 HD2 PRO 524 4.817 0.308 -19.253 776 HD3 PRO 524 HD3 PRO 524 5.224 0.073 -20.817 777 H ASN 525 H ASN 525 5.851 2.169 -17.780 778 HA ASN 525 HA ASN 525 5.592 3.078 -15.733 779 HB2 ASN 525 HB2 ASN 525 7.939 3.861 -16.121 780 HB3 ASN 525 HB3 ASN 525 7.299 5.384 -16.722 781 HD21 ASN 525 HD21 ASN 525 8.534 6.390 -15.049 782 HD22 ASN 525 HD22 ASN 525 7.932 6.443 -13.430 783 H GLY 526 H GLY 526 5.670 6.218 -17.457 784 HA2 GLY 526 HA2 GLY 526 3.984 7.723 -17.934 785 HA3 GLY 526 HA3 GLY 526 2.816 6.475 -17.537 786 H LEU 527 H LEU 527 3.687 9.478 -16.744 787 HA LEU 527 HA LEU 527 3.216 9.187 -13.870 788 HB2 LEU 527 HB2 LEU 527 4.128 11.588 -15.424 789 HB3 LEU 527 HB3 LEU 527 3.890 11.560 -13.692 790 HG LEU 527 HG LEU 527 5.965 9.953 -15.200 791 HD11 LEU 527 HD11 LEU 527 7.597 11.439 -14.255 792 HD12 LEU 527 HD12 LEU 527 6.347 12.312 -13.371 793 HD13 LEU 527 HD13 LEU 527 6.395 12.389 -15.132 794 HD21 LEU 527 HD21 LEU 527 5.490 10.254 -12.242 795 HD22 LEU 527 HD22 LEU 527 6.826 9.382 -12.993 796 HD23 LEU 527 HD23 LEU 527 5.170 8.810 -13.200 797 H LEU 528 H LEU 528 1.167 9.001 -16.087 798 HA LEU 528 HA LEU 528 -0.672 11.149 -15.575 799 HB2 LEU 528 HB2 LEU 528 -1.057 8.431 -16.854 800 HB3 LEU 528 HB3 LEU 528 -2.276 9.680 -16.825 801 HG LEU 528 HG LEU 528 0.388 9.898 -18.244 802 HD11 LEU 528 HD11 LEU 528 -1.027 8.262 -19.316 803 HD12 LEU 528 HD12 LEU 528 -1.000 9.737 -20.284 804 HD13 LEU 528 HD13 LEU 528 -2.395 9.372 -19.269 805 HD21 LEU 528 HD21 LEU 528 -2.033 11.705 -18.330 806 HD22 LEU 528 HD22 LEU 528 -0.551 11.899 -19.264 807 HD23 LEU 528 HD23 LEU 528 -0.516 12.072 -17.510 808 H SER 529 H SER 529 0.445 8.710 -13.736 809 HA SER 529 HA SER 529 -1.572 8.934 -11.723 810 HB2 SER 529 HB2 SER 529 -2.677 7.204 -13.080 811 HB3 SER 529 HB3 SER 529 -1.214 6.221 -13.050 812 HG SER 529 HG SER 529 -1.720 6.685 -10.557 813 H GLY 530 H GLY 530 -0.082 9.504 -10.234 814 HA2 GLY 530 HA2 GLY 530 2.384 7.907 -10.040 815 HA3 GLY 530 HA3 GLY 530 2.206 9.561 -9.487 816 H ASP 531 H ASP 531 1.257 9.973 -7.465 817 HA ASP 531 HA ASP 531 0.738 7.627 -5.774 818 HB2 ASP 531 HB2 ASP 531 2.532 9.929 -4.962 819 HB3 ASP 531 HB3 ASP 531 2.143 8.522 -3.983 820 H GLU 532 H GLU 532 -0.314 10.547 -6.882 821 HA GLU 532 HA GLU 532 -2.017 11.018 -4.554 822 HB2 GLU 532 HB2 GLU 532 -1.156 12.899 -6.736 823 HB3 GLU 532 HB3 GLU 532 -2.291 13.304 -5.477 824 HG2 GLU 532 HG2 GLU 532 0.503 12.400 -4.919 825 HG3 GLU 532 HG3 GLU 532 0.089 14.091 -5.175 826 H ASP 533 H ASP 533 -2.031 9.651 -7.478 827 HA ASP 533 HA ASP 533 -4.664 10.541 -8.372 828 HB2 ASP 533 HB2 ASP 533 -2.588 8.737 -9.637 829 HB3 ASP 533 HB3 ASP 533 -4.157 9.069 -10.360 830 H PHE 534 H PHE 534 -3.221 7.854 -6.689 831 HA PHE 534 HA PHE 534 -5.320 6.007 -7.335 832 HB2 PHE 534 HB2 PHE 534 -2.927 5.854 -5.522 833 HB3 PHE 534 HB3 PHE 534 -4.159 4.608 -5.483 834 HD1 PHE 534 HD1 PHE 534 -1.319 5.959 -7.283 835 HD2 PHE 534 HD2 PHE 534 -4.522 3.158 -7.457 836 HE1 PHE 534 HE1 PHE 534 -0.196 4.786 -9.136 837 HE2 PHE 534 HE2 PHE 534 -3.415 1.988 -9.294 838 HZ PHE 534 HZ PHE 534 -1.239 2.797 -10.140 839 H SER 535 H SER 535 -5.016 8.533 -5.176 840 HA SER 535 HA SER 535 -6.503 7.588 -2.944 841 HB2 SER 535 HB2 SER 535 -6.618 9.938 -2.278 842 HB3 SER 535 HB3 SER 535 -4.994 9.540 -2.832 843 HG SER 535 HG SER 535 -5.675 10.424 -4.906 844 H SER 536 H SER 536 -7.415 8.603 -6.080 845 HA SER 536 HA SER 536 -10.195 9.120 -5.393 846 HB2 SER 536 HB2 SER 536 -10.467 9.502 -7.828 847 HB3 SER 536 HB3 SER 536 -9.151 10.461 -7.155 848 HG SER 536 HG SER 536 -8.320 8.023 -8.040 849 H ILE 537 H ILE 537 -8.181 6.559 -6.474 850 HA ILE 537 HA ILE 537 -10.343 4.871 -7.409 851 HB ILE 537 HB ILE 537 -7.378 4.332 -7.106 852 HG12 ILE 537 HG12 ILE 537 -8.976 4.741 -9.650 853 HG13 ILE 537 HG13 ILE 537 -7.999 5.978 -8.883 854 HG21 ILE 537 HG21 ILE 537 -8.547 2.218 -6.896 855 HG22 ILE 537 HG22 ILE 537 -7.659 2.291 -8.418 856 HG23 ILE 537 HG23 ILE 537 -9.410 2.523 -8.406 857 HD11 ILE 537 HD11 ILE 537 -6.817 5.069 -10.768 858 HD12 ILE 537 HD12 ILE 537 -7.013 3.428 -10.158 859 HD13 ILE 537 HD13 ILE 537 -5.990 4.574 -9.290 860 H ALA 538 H ALA 538 -8.597 5.398 -4.450 861 HA ALA 538 HA ALA 538 -9.105 2.770 -3.428 862 HB1 ALA 538 HB1 ALA 538 -7.924 3.476 -1.425 863 HB2 ALA 538 HB2 ALA 538 -7.944 5.143 -1.997 864 HB3 ALA 538 HB3 ALA 538 -7.019 3.924 -2.871 865 H ASP 539 H ASP 539 -10.767 5.701 -3.372 866 HA ASP 539 HA ASP 539 -12.499 4.890 -1.198 867 HB2 ASP 539 HB2 ASP 539 -12.289 7.383 -2.848 868 HB3 ASP 539 HB3 ASP 539 -13.644 7.116 -1.780 869 H MET 540 H MET 540 -12.250 4.737 -4.567 870 HA MET 540 HA MET 540 -15.047 4.246 -5.136 871 HB2 MET 540 HB2 MET 540 -12.493 4.208 -6.716 872 HB3 MET 540 HB3 MET 540 -13.969 3.555 -7.395 873 HG2 MET 540 HG2 MET 540 -15.057 5.728 -7.159 874 HG3 MET 540 HG3 MET 540 -13.596 6.392 -6.432 875 HE1 MET 540 HE1 MET 540 -13.989 5.143 -10.874 876 HE2 MET 540 HE2 MET 540 -15.355 5.240 -9.765 877 HE3 MET 540 HE3 MET 540 -14.131 3.986 -9.550 878 H ASP 541 H ASP 541 -12.101 2.471 -4.533 879 HA ASP 541 HA ASP 541 -13.208 -0.094 -5.290 880 HB2 ASP 541 HB2 ASP 541 -10.537 0.906 -4.420 881 HB3 ASP 541 HB3 ASP 541 -10.892 -0.808 -4.257 882 H PHE 542 H PHE 542 -12.952 1.792 -2.387 883 HA PHE 542 HA PHE 542 -13.054 -0.396 -0.529 884 HB2 PHE 542 HB2 PHE 542 -12.165 1.863 0.043 885 HB3 PHE 542 HB3 PHE 542 -13.797 2.506 -0.091 886 HD1 PHE 542 HD1 PHE 542 -11.669 0.164 1.843 887 HD2 PHE 542 HD2 PHE 542 -15.291 2.400 1.714 888 HE1 PHE 542 HE1 PHE 542 -12.074 -0.361 4.213 889 HE2 PHE 542 HE2 PHE 542 -15.700 1.880 4.083 890 HZ PHE 542 HZ PHE 542 -14.090 0.500 5.336 891 H SER 543 H SER 543 -15.415 1.526 -2.244 892 HA SER 543 HA SER 543 -17.688 0.540 -0.761 893 HB2 SER 543 HB2 SER 543 -19.025 1.837 -2.324 894 HB3 SER 543 HB3 SER 543 -17.658 2.802 -1.774 895 HG SER 543 HG SER 543 -18.299 2.454 -4.216 896 H ALA 544 H ALA 544 -15.860 -0.433 -3.525 897 HA ALA 544 HA ALA 544 -17.914 -2.132 -4.656 898 HB1 ALA 544 HB1 ALA 544 -16.314 -0.992 -6.112 899 HB2 ALA 544 HB2 ALA 544 -16.215 -2.744 -6.296 900 HB3 ALA 544 HB3 ALA 544 -14.991 -1.884 -5.361 901 H LEU 545 H LEU 545 -15.316 -2.453 -2.374 902 HA LEU 545 HA LEU 545 -15.063 -5.306 -2.549 903 HB2 LEU 545 HB2 LEU 545 -14.024 -3.209 -0.673 904 HB3 LEU 545 HB3 LEU 545 -13.793 -4.905 -0.349 905 HG LEU 545 HG LEU 545 -12.833 -3.593 -2.880 906 HD11 LEU 545 HD11 LEU 545 -11.667 -2.533 -1.059 907 HD12 LEU 545 HD12 LEU 545 -10.585 -3.676 -1.850 908 HD13 LEU 545 HD13 LEU 545 -11.338 -4.099 -0.315 909 HD21 LEU 545 HD21 LEU 545 -13.074 -5.991 -3.079 910 HD22 LEU 545 HD22 LEU 545 -12.189 -6.236 -1.572 911 HD23 LEU 545 HD23 LEU 545 -11.361 -5.579 -2.984 912 H LEU 546 H LEU 546 -17.193 -3.146 -0.921 913 HA LEU 546 HA LEU 546 -18.002 -5.045 1.126 914 HB2 LEU 546 HB2 LEU 546 -19.174 -2.376 0.330 915 HB3 LEU 546 HB3 LEU 546 -19.718 -3.330 1.685 916 HG LEU 546 HG LEU 546 -17.006 -2.043 1.392 917 HD11 LEU 546 HD11 LEU 546 -19.337 -1.410 3.200 918 HD12 LEU 546 HD12 LEU 546 -18.788 -0.441 1.834 919 HD13 LEU 546 HD13 LEU 546 -17.756 -0.631 3.251 920 HD21 LEU 546 HD21 LEU 546 -18.178 -3.634 3.669 921 HD22 LEU 546 HD22 LEU 546 -16.651 -2.753 3.719 922 HD23 LEU 546 HD23 LEU 546 -16.841 -4.128 2.632 923 H SER 547 H SER 547 -18.993 -3.980 -2.011 924 HA SER 547 HA SER 547 -21.575 -5.230 -2.035 925 HB2 SER 547 HB2 SER 547 -21.619 -4.659 -4.399 926 HB3 SER 547 HB3 SER 547 -20.997 -3.292 -3.474 927 HG SER 547 HG SER 547 -18.879 -3.996 -4.062 928 H GLN 548 H GLN 548 -18.398 -6.412 -2.386 929 HA GLN 548 HA GLN 548 -18.924 -8.567 -4.192 930 HB2 GLN 548 HB2 GLN 548 -16.601 -7.976 -2.387 931 HB3 GLN 548 HB3 GLN 548 -16.655 -9.369 -3.455 932 HG2 GLN 548 HG2 GLN 548 -16.479 -6.469 -4.139 933 HG3 GLN 548 HG3 GLN 548 -15.414 -7.782 -4.599 934 HE21 GLN 548 HE21 GLN 548 -17.492 -5.678 -5.824 935 HE22 GLN 548 HE22 GLN 548 -18.140 -6.576 -7.150 936 H ILE 549 H ILE 549 -19.144 -8.126 -0.817 937 HA ILE 549 HA ILE 549 -19.361 -11.003 -0.297 938 HB ILE 549 HB ILE 549 -19.145 -8.743 1.701 939 HG12 ILE 549 HG12 ILE 549 -17.098 -10.891 1.062 940 HG13 ILE 549 HG13 ILE 549 -17.057 -9.282 0.357 941 HG21 ILE 549 HG21 ILE 549 -18.876 -10.542 3.377 942 HG22 ILE 549 HG22 ILE 549 -19.251 -11.728 2.127 943 HG23 ILE 549 HG23 ILE 549 -20.467 -10.546 2.614 944 HD11 ILE 549 HD11 ILE 549 -16.821 -9.935 3.289 945 HD12 ILE 549 HD12 ILE 549 -16.782 -8.316 2.589 946 HD13 ILE 549 HD13 ILE 549 -15.503 -9.471 2.212 947 H SER 550 H SER 550 -21.294 -8.112 -0.381 948 HA SER 550 HA SER 550 -23.555 -9.428 0.929 949 HB2 SER 550 HB2 SER 550 -24.632 -7.189 0.805 950 HB3 SER 550 HB3 SER 550 -23.092 -7.160 1.663 951 HG SER 550 HG SER 550 -22.866 -5.516 0.299 952 H SER 551 H SER 551 -22.541 -8.233 -2.216 953 HA SER 551 HA SER 551 -23.348 -8.400 -4.320 954 HB2 SER 551 HB2 SER 551 -24.911 -10.748 -3.203 955 HB3 SER 551 HB3 SER 551 -24.691 -10.398 -4.916 956 HG SER 551 HG SER 551 -22.681 -11.050 -3.021 Start of MODEL 6 1 H1 GLY 586 H1 GLY 586 32.708 -4.439 -7.899 2 H2 GLY 586 H2 GLY 586 31.960 -3.015 -8.424 3 H3 GLY 586 H3 GLY 586 32.027 -4.362 -9.447 4 HA2 GLY 586 HA2 GLY 586 29.819 -4.139 -8.517 5 HA3 GLY 586 HA3 GLY 586 30.598 -5.613 -7.963 6 H VAL 587 H VAL 587 28.554 -3.470 -6.913 7 HA VAL 587 HA VAL 587 29.768 -2.810 -4.342 8 HB VAL 587 HB VAL 587 26.992 -2.145 -5.370 9 HG11 VAL 587 HG11 VAL 587 26.893 -0.511 -3.550 10 HG12 VAL 587 HG12 VAL 587 28.467 -1.056 -2.971 11 HG13 VAL 587 HG13 VAL 587 27.085 -2.150 -2.927 12 HG21 VAL 587 HG21 VAL 587 28.704 -1.040 -6.707 13 HG22 VAL 587 HG22 VAL 587 29.459 -0.410 -5.243 14 HG23 VAL 587 HG23 VAL 587 27.845 0.132 -5.706 15 H ARG 588 H ARG 588 29.292 -3.776 -2.442 16 HA ARG 588 HA ARG 588 27.751 -6.247 -2.547 17 HB2 ARG 588 HB2 ARG 588 30.017 -6.395 -1.621 18 HB3 ARG 588 HB3 ARG 588 29.614 -5.213 -0.390 19 HG2 ARG 588 HG2 ARG 588 28.020 -6.794 0.605 20 HG3 ARG 588 HG3 ARG 588 28.419 -7.980 -0.635 21 HD2 ARG 588 HD2 ARG 588 30.716 -8.079 0.171 22 HD3 ARG 588 HD3 ARG 588 30.372 -6.832 1.366 23 HE ARG 588 HE ARG 588 28.607 -9.013 1.710 24 HH11 ARG 588 HH11 ARG 588 31.976 -8.166 2.248 25 HH12 ARG 588 HH12 ARG 588 32.161 -9.275 3.566 26 HH21 ARG 588 HH21 ARG 588 28.876 -10.455 3.437 27 HH22 ARG 588 HH22 ARG 588 30.409 -10.569 4.235 28 H LYS 589 H LYS 589 25.882 -6.603 -1.529 29 HA LYS 589 HA LYS 589 24.793 -4.439 0.152 30 HB2 LYS 589 HB2 LYS 589 23.359 -6.364 -1.687 31 HB3 LYS 589 HB3 LYS 589 22.539 -5.292 -0.567 32 HG2 LYS 589 HG2 LYS 589 23.459 -3.354 -1.760 33 HG3 LYS 589 HG3 LYS 589 24.270 -4.440 -2.882 34 HD2 LYS 589 HD2 LYS 589 22.103 -5.292 -3.624 35 HD3 LYS 589 HD3 LYS 589 21.282 -4.199 -2.502 36 HE2 LYS 589 HE2 LYS 589 22.334 -2.287 -3.675 37 HE3 LYS 589 HE3 LYS 589 23.036 -3.418 -4.830 38 HZ1 LYS 589 HZ1 LYS 589 20.810 -4.087 -5.477 39 HZ2 LYS 589 HZ2 LYS 589 21.009 -2.421 -5.681 40 HZ3 LYS 589 HZ3 LYS 589 20.132 -3.010 -4.361 41 H GLY 590 H GLY 590 24.488 -4.906 2.204 42 HA2 GLY 590 HA2 GLY 590 24.442 -7.625 3.202 43 HA3 GLY 590 HA3 GLY 590 24.331 -6.157 4.159 44 H TRP 591 H TRP 591 22.127 -5.174 2.405 45 HA TRP 591 HA TRP 591 19.971 -6.352 3.934 46 HB2 TRP 591 HB2 TRP 591 18.611 -4.507 3.069 47 HB3 TRP 591 HB3 TRP 591 20.084 -3.932 3.824 48 HD1 TRP 591 HD1 TRP 591 21.871 -2.676 2.177 49 HE1 TRP 591 HE1 TRP 591 21.582 -1.589 -0.134 50 HE3 TRP 591 HE3 TRP 591 17.353 -4.718 0.874 51 HZ2 TRP 591 HZ2 TRP 591 19.679 -1.582 -2.225 52 HZ3 TRP 591 HZ3 TRP 591 16.371 -4.103 -1.294 53 HH2 TRP 591 HH2 TRP 591 17.509 -2.568 -2.808 54 H HIS 592 H HIS 592 21.057 -6.377 0.618 55 HA HIS 592 HA HIS 592 18.702 -7.572 -0.480 56 HB2 HIS 592 HB2 HIS 592 19.761 -7.125 -2.405 57 HB3 HIS 592 HB3 HIS 592 21.139 -6.554 -1.475 58 HD1 HIS 592 HD1 HIS 592 19.848 -9.719 -3.108 59 HD2 HIS 592 HD2 HIS 592 23.413 -8.071 -1.750 60 HE1 HIS 592 HE1 HIS 592 21.650 -11.303 -3.861 61 HE2 HIS 592 HE2 HIS 592 23.804 -10.255 -3.078 62 H GLU 593 H GLU 593 21.163 -8.770 1.529 63 HA GLU 593 HA GLU 593 21.129 -11.496 0.591 64 HB2 GLU 593 HB2 GLU 593 22.363 -10.233 3.027 65 HB3 GLU 593 HB3 GLU 593 22.514 -11.936 2.640 66 HG2 GLU 593 HG2 GLU 593 23.628 -11.342 0.545 67 HG3 GLU 593 HG3 GLU 593 23.507 -9.636 0.963 68 H HIS 594 H HIS 594 19.544 -9.647 3.145 69 HA HIS 594 HA HIS 594 18.228 -12.089 4.083 70 HB2 HIS 594 HB2 HIS 594 18.225 -9.338 5.319 71 HB3 HIS 594 HB3 HIS 594 17.347 -10.718 5.968 72 HD1 HIS 594 HD1 HIS 594 19.108 -12.833 6.522 73 HD2 HIS 594 HD2 HIS 594 20.584 -8.953 6.501 74 HE1 HIS 594 HE1 HIS 594 21.194 -12.906 7.921 75 HE2 HIS 594 HE2 HIS 594 22.137 -10.574 7.790 76 H VAL 595 H VAL 595 17.536 -9.209 2.236 77 HA VAL 595 HA VAL 595 14.679 -9.559 2.442 78 HB VAL 595 HB VAL 595 16.306 -7.770 0.607 79 HG11 VAL 595 HG11 VAL 595 14.217 -6.712 -0.083 80 HG12 VAL 595 HG12 VAL 595 13.292 -7.878 0.863 81 HG13 VAL 595 HG13 VAL 595 14.216 -8.416 -0.540 82 HG21 VAL 595 HG21 VAL 595 14.654 -7.326 3.079 83 HG22 VAL 595 HG22 VAL 595 15.091 -6.011 1.982 84 HG23 VAL 595 HG23 VAL 595 16.355 -6.929 2.800 85 H THR 596 H THR 596 13.471 -10.890 1.298 86 HA THR 596 HA THR 596 14.685 -12.340 -0.962 87 HB THR 596 HB THR 596 13.211 -14.219 -0.425 88 HG1 THR 596 HG1 THR 596 11.440 -13.403 0.538 89 HG21 THR 596 HG21 THR 596 14.189 -14.901 1.716 90 HG22 THR 596 HG22 THR 596 14.738 -13.247 1.989 91 HG23 THR 596 HG23 THR 596 15.395 -14.185 0.647 92 H GLN 597 H GLN 597 12.770 -13.456 -2.289 93 HA GLN 597 HA GLN 597 10.968 -11.454 -3.278 94 HB2 GLN 597 HB2 GLN 597 11.163 -14.429 -3.816 95 HB3 GLN 597 HB3 GLN 597 9.997 -13.377 -4.595 96 HG2 GLN 597 HG2 GLN 597 11.817 -12.086 -5.596 97 HG3 GLN 597 HG3 GLN 597 12.984 -13.136 -4.811 98 HE21 GLN 597 HE21 GLN 597 10.348 -14.961 -5.780 99 HE22 GLN 597 HE22 GLN 597 10.960 -15.533 -7.291 100 H ASP 598 H ASP 598 10.947 -13.696 -0.697 101 HA ASP 598 HA ASP 598 8.077 -13.972 -0.495 102 HB2 ASP 598 HB2 ASP 598 10.378 -14.856 1.246 103 HB3 ASP 598 HB3 ASP 598 8.702 -15.079 1.718 104 H LEU 599 H LEU 599 10.614 -12.034 1.124 105 HA LEU 599 HA LEU 599 8.934 -10.866 3.056 106 HB2 LEU 599 HB2 LEU 599 11.356 -10.689 3.235 107 HB3 LEU 599 HB3 LEU 599 11.437 -9.734 1.771 108 HG LEU 599 HG LEU 599 10.033 -7.984 3.034 109 HD11 LEU 599 HD11 LEU 599 9.254 -9.318 4.853 110 HD12 LEU 599 HD12 LEU 599 10.353 -8.112 5.512 111 HD13 LEU 599 HD13 LEU 599 10.901 -9.779 5.298 112 HD21 LEU 599 HD21 LEU 599 11.911 -6.898 3.860 113 HD22 LEU 599 HD22 LEU 599 12.631 -8.000 2.687 114 HD23 LEU 599 HD23 LEU 599 12.659 -8.395 4.401 115 H ARG 600 H ARG 600 9.773 -9.790 -0.236 116 HA ARG 600 HA ARG 600 8.516 -7.290 -0.123 117 HB2 ARG 600 HB2 ARG 600 8.976 -9.024 -2.569 118 HB3 ARG 600 HB3 ARG 600 8.616 -7.307 -2.590 119 HG2 ARG 600 HG2 ARG 600 10.720 -6.738 -1.726 120 HG3 ARG 600 HG3 ARG 600 11.050 -8.389 -1.209 121 HD2 ARG 600 HD2 ARG 600 12.359 -8.015 -3.154 122 HD3 ARG 600 HD3 ARG 600 11.016 -9.047 -3.640 123 HE ARG 600 HE ARG 600 10.076 -6.603 -4.223 124 HH11 ARG 600 HH11 ARG 600 13.151 -8.111 -5.012 125 HH12 ARG 600 HH12 ARG 600 13.337 -7.220 -6.487 126 HH21 ARG 600 HH21 ARG 600 10.343 -5.453 -6.155 127 HH22 ARG 600 HH22 ARG 600 11.748 -5.717 -7.131 128 H SER 601 H SER 601 7.141 -10.434 -0.521 129 HA SER 601 HA SER 601 4.592 -9.503 -1.533 130 HB2 SER 601 HB2 SER 601 3.919 -11.858 -1.374 131 HB3 SER 601 HB3 SER 601 5.504 -11.740 -2.133 132 HG SER 601 HG SER 601 6.378 -12.168 0.012 133 H HIS 602 H HIS 602 6.059 -10.232 1.559 134 HA HIS 602 HA HIS 602 3.562 -10.138 3.033 135 HB2 HIS 602 HB2 HIS 602 6.430 -10.258 4.004 136 HB3 HIS 602 HB3 HIS 602 5.009 -10.410 5.028 137 HD1 HIS 602 HD1 HIS 602 7.003 -12.675 5.045 138 HD2 HIS 602 HD2 HIS 602 3.790 -12.522 2.413 139 HE1 HIS 602 HE1 HIS 602 6.585 -15.058 4.355 140 HE2 HIS 602 HE2 HIS 602 4.668 -14.934 2.725 141 H LEU 603 H LEU 603 6.082 -7.990 2.063 142 HA LEU 603 HA LEU 603 5.468 -5.782 3.797 143 HB2 LEU 603 HB2 LEU 603 6.959 -6.083 1.193 144 HB3 LEU 603 HB3 LEU 603 6.659 -4.521 1.889 145 HG LEU 603 HG LEU 603 8.381 -6.696 3.081 146 HD11 LEU 603 HD11 LEU 603 9.080 -4.023 1.913 147 HD12 LEU 603 HD12 LEU 603 9.453 -5.613 1.235 148 HD13 LEU 603 HD13 LEU 603 10.202 -5.100 2.755 149 HD21 LEU 603 HD21 LEU 603 9.074 -5.043 4.747 150 HD22 LEU 603 HD22 LEU 603 7.380 -5.504 4.903 151 HD23 LEU 603 HD23 LEU 603 7.809 -3.959 4.169 152 H VAL 604 H VAL 604 4.483 -6.873 0.611 153 HA VAL 604 HA VAL 604 2.631 -4.771 0.045 154 HB VAL 604 HB VAL 604 3.265 -7.455 -1.180 155 HG11 VAL 604 HG11 VAL 604 1.697 -6.565 -3.082 156 HG12 VAL 604 HG12 VAL 604 0.880 -5.766 -1.740 157 HG13 VAL 604 HG13 VAL 604 1.047 -7.516 -1.750 158 HG21 VAL 604 HG21 VAL 604 3.344 -4.698 -2.383 159 HG22 VAL 604 HG22 VAL 604 4.076 -6.184 -3.009 160 HG23 VAL 604 HG23 VAL 604 4.709 -5.440 -1.538 161 H HIS 605 H HIS 605 2.431 -7.989 1.533 162 HA HIS 605 HA HIS 605 -0.411 -8.034 1.835 163 HB2 HIS 605 HB2 HIS 605 1.047 -10.071 1.943 164 HB3 HIS 605 HB3 HIS 605 1.663 -9.497 3.486 165 HD1 HIS 605 HD1 HIS 605 -1.760 -10.290 2.005 166 HD2 HIS 605 HD2 HIS 605 0.347 -10.604 5.575 167 HE1 HIS 605 HE1 HIS 605 -3.319 -11.439 3.608 168 HE2 HIS 605 HE2 HIS 605 -1.997 -11.685 5.738 169 H LYS 606 H LYS 606 2.112 -6.380 3.384 170 HA LYS 606 HA LYS 606 0.739 -5.771 5.872 171 HB2 LYS 606 HB2 LYS 606 3.240 -5.928 5.627 172 HB3 LYS 606 HB3 LYS 606 3.184 -4.504 4.607 173 HG2 LYS 606 HG2 LYS 606 2.374 -3.170 6.472 174 HG3 LYS 606 HG3 LYS 606 2.363 -4.603 7.505 175 HD2 LYS 606 HD2 LYS 606 4.801 -4.842 7.065 176 HD3 LYS 606 HD3 LYS 606 4.760 -3.316 6.202 177 HE2 LYS 606 HE2 LYS 606 3.961 -2.223 8.231 178 HE3 LYS 606 HE3 LYS 606 4.057 -3.746 9.100 179 HZ1 LYS 606 HZ1 LYS 606 6.001 -2.371 9.507 180 HZ2 LYS 606 HZ2 LYS 606 6.341 -2.314 7.850 181 HZ3 LYS 606 HZ3 LYS 606 6.439 -3.783 8.683 182 H LEU 607 H LEU 607 0.999 -4.636 2.671 183 HA LEU 607 HA LEU 607 0.148 -1.911 3.123 184 HB2 LEU 607 HB2 LEU 607 1.064 -3.596 0.855 185 HB3 LEU 607 HB3 LEU 607 0.217 -2.109 0.488 186 HG LEU 607 HG LEU 607 2.771 -2.293 2.109 187 HD11 LEU 607 HD11 LEU 607 2.334 -1.330 -0.703 188 HD12 LEU 607 HD12 LEU 607 3.016 -2.898 -0.273 189 HD13 LEU 607 HD13 LEU 607 3.867 -1.414 0.162 190 HD21 LEU 607 HD21 LEU 607 1.345 0.116 0.969 191 HD22 LEU 607 HD22 LEU 607 2.867 0.123 1.861 192 HD23 LEU 607 HD23 LEU 607 1.372 -0.340 2.676 193 H VAL 608 H VAL 608 -1.093 -4.819 1.489 194 HA VAL 608 HA VAL 608 -3.586 -3.761 0.631 195 HB VAL 608 HB VAL 608 -2.640 -6.617 1.059 196 HG11 VAL 608 HG11 VAL 608 -5.192 -5.688 -0.248 197 HG12 VAL 608 HG12 VAL 608 -5.049 -6.655 1.219 198 HG13 VAL 608 HG13 VAL 608 -4.550 -7.329 -0.333 199 HG21 VAL 608 HG21 VAL 608 -2.497 -6.664 -1.392 200 HG22 VAL 608 HG22 VAL 608 -1.466 -5.411 -0.703 201 HG23 VAL 608 HG23 VAL 608 -3.003 -4.976 -1.452 202 H GLN 609 H GLN 609 -2.520 -4.975 3.725 203 HA GLN 609 HA GLN 609 -5.196 -5.407 4.727 204 HB2 GLN 609 HB2 GLN 609 -2.511 -5.657 6.043 205 HB3 GLN 609 HB3 GLN 609 -4.021 -5.856 6.920 206 HG2 GLN 609 HG2 GLN 609 -3.036 -7.522 4.624 207 HG3 GLN 609 HG3 GLN 609 -3.116 -7.965 6.319 208 HE21 GLN 609 HE21 GLN 609 -4.530 -8.620 3.494 209 HE22 GLN 609 HE22 GLN 609 -6.154 -8.922 4.001 210 H ALA 610 H ALA 610 -2.739 -2.938 4.865 211 HA ALA 610 HA ALA 610 -4.091 -1.291 6.787 212 HB1 ALA 610 HB1 ALA 610 -1.680 -1.168 6.456 213 HB2 ALA 610 HB2 ALA 610 -2.441 0.397 6.157 214 HB3 ALA 610 HB3 ALA 610 -1.931 -0.613 4.802 215 H ILE 611 H ILE 611 -4.298 -1.773 3.356 216 HA ILE 611 HA ILE 611 -5.789 0.668 2.859 217 HB ILE 611 HB ILE 611 -5.098 -1.658 1.026 218 HG12 ILE 611 HG12 ILE 611 -4.171 1.202 0.880 219 HG13 ILE 611 HG13 ILE 611 -3.296 -0.016 1.774 220 HG21 ILE 611 HG21 ILE 611 -6.536 0.912 0.358 221 HG22 ILE 611 HG22 ILE 611 -7.224 -0.710 0.304 222 HG23 ILE 611 HG23 ILE 611 -5.945 -0.256 -0.822 223 HD11 ILE 611 HD11 ILE 611 -3.824 -0.015 -1.186 224 HD12 ILE 611 HD12 ILE 611 -2.962 -1.276 -0.309 225 HD13 ILE 611 HD13 ILE 611 -2.291 0.351 -0.402 226 H PHE 612 H PHE 612 -6.494 -2.846 2.567 227 HA PHE 612 HA PHE 612 -9.161 -2.331 3.644 228 HB2 PHE 612 HB2 PHE 612 -9.376 -2.451 1.183 229 HB3 PHE 612 HB3 PHE 612 -8.609 -4.032 1.193 230 HD1 PHE 612 HD1 PHE 612 -11.582 -2.198 2.471 231 HD2 PHE 612 HD2 PHE 612 -9.885 -5.944 1.400 232 HE1 PHE 612 HE1 PHE 612 -13.788 -3.265 2.745 233 HE2 PHE 612 HE2 PHE 612 -12.086 -7.025 1.663 234 HZ PHE 612 HZ PHE 612 -14.068 -5.629 2.319 235 HA PRO 613 HA PRO 613 -7.571 -5.979 5.967 236 HB2 PRO 613 HB2 PRO 613 -8.948 -5.553 8.249 237 HB3 PRO 613 HB3 PRO 613 -7.440 -4.715 7.902 238 HG2 PRO 613 HG2 PRO 613 -10.176 -3.714 7.702 239 HG3 PRO 613 HG3 PRO 613 -8.837 -2.930 8.211 240 HD2 PRO 613 HD2 PRO 613 -9.781 -2.647 5.697 241 HD3 PRO 613 HD3 PRO 613 -8.212 -2.379 6.063 242 H THR 614 H THR 614 -8.477 -7.971 5.943 243 HA THR 614 HA THR 614 -11.314 -8.329 6.217 244 HB THR 614 HB THR 614 -11.421 -7.947 3.913 245 HG1 THR 614 HG1 THR 614 -11.229 -10.759 3.901 246 HG21 THR 614 HG21 THR 614 -9.162 -9.898 3.484 247 HG22 THR 614 HG22 THR 614 -9.013 -8.142 3.412 248 HG23 THR 614 HG23 THR 614 -10.015 -8.990 2.234 249 HA PRO 615 HA PRO 615 -9.998 -12.078 8.410 250 HB2 PRO 615 HB2 PRO 615 -12.792 -12.709 7.631 251 HB3 PRO 615 HB3 PRO 615 -11.989 -12.965 9.167 252 HG2 PRO 615 HG2 PRO 615 -13.580 -10.943 8.900 253 HG3 PRO 615 HG3 PRO 615 -12.168 -10.724 9.690 254 HD2 PRO 615 HD2 PRO 615 -12.840 -9.859 7.038 255 HD3 PRO 615 HD3 PRO 615 -11.888 -9.096 8.123 256 H ASP 616 H ASP 616 -12.134 -12.429 5.594 257 HA ASP 616 HA ASP 616 -11.222 -15.061 4.952 258 HB2 ASP 616 HB2 ASP 616 -13.534 -14.161 4.479 259 HB3 ASP 616 HB3 ASP 616 -12.823 -13.222 3.171 260 HA PRO 617 HA PRO 617 -7.643 -13.770 2.415 261 HB2 PRO 617 HB2 PRO 617 -6.853 -16.288 1.788 262 HB3 PRO 617 HB3 PRO 617 -6.470 -15.527 3.336 263 HG2 PRO 617 HG2 PRO 617 -8.684 -17.374 2.738 264 HG3 PRO 617 HG3 PRO 617 -7.595 -17.476 3.951 265 HD2 PRO 617 HD2 PRO 617 -9.907 -16.386 4.497 266 HD3 PRO 617 HD3 PRO 617 -8.575 -15.673 5.118 267 H ALA 618 H ALA 618 -10.536 -15.374 1.591 268 HA ALA 618 HA ALA 618 -9.972 -16.066 -1.125 269 HB1 ALA 618 HB1 ALA 618 -12.363 -16.512 -1.289 270 HB2 ALA 618 HB2 ALA 618 -12.624 -15.723 0.265 271 HB3 ALA 618 HB3 ALA 618 -11.685 -17.213 0.181 272 H ALA 619 H ALA 619 -10.488 -13.081 0.339 273 HA ALA 619 HA ALA 619 -11.863 -11.773 -1.843 274 HB1 ALA 619 HB1 ALA 619 -10.420 -10.537 0.494 275 HB2 ALA 619 HB2 ALA 619 -12.109 -11.049 0.517 276 HB3 ALA 619 HB3 ALA 619 -11.592 -9.750 -0.563 277 H LEU 620 H LEU 620 -8.627 -12.621 -1.142 278 HA LEU 620 HA LEU 620 -7.378 -10.449 -2.552 279 HB2 LEU 620 HB2 LEU 620 -6.248 -13.024 -1.452 280 HB3 LEU 620 HB3 LEU 620 -5.294 -11.719 -2.111 281 HG LEU 620 HG LEU 620 -7.027 -11.489 0.355 282 HD11 LEU 620 HD11 LEU 620 -5.171 -13.008 0.739 283 HD12 LEU 620 HD12 LEU 620 -4.908 -11.484 1.589 284 HD13 LEU 620 HD13 LEU 620 -4.043 -11.819 0.089 285 HD21 LEU 620 HD21 LEU 620 -5.760 -9.402 0.729 286 HD22 LEU 620 HD22 LEU 620 -6.738 -9.342 -0.735 287 HD23 LEU 620 HD23 LEU 620 -4.997 -9.604 -0.848 288 H LYS 621 H LYS 621 -9.010 -13.126 -3.592 289 HA LYS 621 HA LYS 621 -7.305 -13.572 -5.948 290 HB2 LYS 621 HB2 LYS 621 -9.555 -15.237 -4.790 291 HB3 LYS 621 HB3 LYS 621 -8.695 -15.632 -6.267 292 HG2 LYS 621 HG2 LYS 621 -6.635 -15.944 -5.013 293 HG3 LYS 621 HG3 LYS 621 -7.445 -15.454 -3.525 294 HD2 LYS 621 HD2 LYS 621 -8.918 -17.384 -3.671 295 HD3 LYS 621 HD3 LYS 621 -8.176 -17.866 -5.196 296 HE2 LYS 621 HE2 LYS 621 -6.038 -18.160 -4.034 297 HE3 LYS 621 HE3 LYS 621 -6.810 -17.675 -2.526 298 HZ1 LYS 621 HZ1 LYS 621 -7.546 -20.056 -4.137 299 HZ2 LYS 621 HZ2 LYS 621 -8.260 -19.591 -2.676 300 HZ3 LYS 621 HZ3 LYS 621 -6.641 -20.079 -2.708 301 H ASP 622 H ASP 622 -9.389 -11.397 -5.255 302 HA ASP 622 HA ASP 622 -11.469 -11.759 -7.239 303 HB2 ASP 622 HB2 ASP 622 -11.965 -10.728 -5.060 304 HB3 ASP 622 HB3 ASP 622 -10.827 -9.433 -5.404 305 H ARG 623 H ARG 623 -11.867 -10.258 -8.954 306 HA ARG 623 HA ARG 623 -9.486 -9.682 -10.467 307 HB2 ARG 623 HB2 ARG 623 -12.391 -9.175 -11.148 308 HB3 ARG 623 HB3 ARG 623 -11.045 -9.024 -12.268 309 HG2 ARG 623 HG2 ARG 623 -11.504 -11.582 -10.854 310 HG3 ARG 623 HG3 ARG 623 -12.510 -11.175 -12.249 311 HD2 ARG 623 HD2 ARG 623 -10.738 -12.415 -13.158 312 HD3 ARG 623 HD3 ARG 623 -10.299 -10.740 -13.474 313 HE ARG 623 HE ARG 623 -8.480 -10.992 -12.114 314 HH11 ARG 623 HH11 ARG 623 -10.679 -13.645 -11.421 315 HH12 ARG 623 HH12 ARG 623 -9.555 -14.451 -10.378 316 HH21 ARG 623 HH21 ARG 623 -7.031 -12.066 -10.745 317 HH22 ARG 623 HH22 ARG 623 -7.493 -13.557 -9.997 318 H ARG 624 H ARG 624 -12.061 -7.880 -8.940 319 HA ARG 624 HA ARG 624 -11.239 -5.280 -9.829 320 HB2 ARG 624 HB2 ARG 624 -13.124 -6.164 -7.645 321 HB3 ARG 624 HB3 ARG 624 -12.835 -4.475 -8.036 322 HG2 ARG 624 HG2 ARG 624 -13.670 -4.848 -10.303 323 HG3 ARG 624 HG3 ARG 624 -13.942 -6.549 -9.927 324 HD2 ARG 624 HD2 ARG 624 -15.253 -4.250 -8.476 325 HD3 ARG 624 HD3 ARG 624 -15.994 -5.135 -9.808 326 HE ARG 624 HE ARG 624 -15.212 -6.969 -7.835 327 HH11 ARG 624 HH11 ARG 624 -17.601 -4.431 -8.273 328 HH12 ARG 624 HH12 ARG 624 -18.731 -5.149 -7.175 329 HH21 ARG 624 HH21 ARG 624 -16.707 -7.890 -6.403 330 HH22 ARG 624 HH22 ARG 624 -18.225 -7.105 -6.119 331 H MET 625 H MET 625 -10.227 -7.320 -7.249 332 HA MET 625 HA MET 625 -9.082 -5.162 -5.661 333 HB2 MET 625 HB2 MET 625 -10.113 -7.035 -4.488 334 HB3 MET 625 HB3 MET 625 -9.049 -8.165 -5.316 335 HG2 MET 625 HG2 MET 625 -8.288 -7.831 -3.051 336 HG3 MET 625 HG3 MET 625 -7.116 -7.150 -4.177 337 HE1 MET 625 HE1 MET 625 -7.280 -6.449 -0.974 338 HE2 MET 625 HE2 MET 625 -9.027 -6.695 -1.063 339 HE3 MET 625 HE3 MET 625 -8.382 -5.129 -0.572 340 H GLU 626 H GLU 626 -8.043 -7.768 -7.787 341 HA GLU 626 HA GLU 626 -5.312 -7.775 -7.379 342 HB2 GLU 626 HB2 GLU 626 -6.486 -9.455 -8.706 343 HB3 GLU 626 HB3 GLU 626 -6.807 -8.264 -9.957 344 HG2 GLU 626 HG2 GLU 626 -4.447 -8.092 -10.456 345 HG3 GLU 626 HG3 GLU 626 -4.057 -9.185 -9.126 346 H ASN 627 H ASN 627 -7.196 -5.306 -8.909 347 HA ASN 627 HA ASN 627 -5.192 -4.132 -10.545 348 HB2 ASN 627 HB2 ASN 627 -7.739 -3.022 -9.362 349 HB3 ASN 627 HB3 ASN 627 -6.663 -2.051 -10.357 350 HD21 ASN 627 HD21 ASN 627 -9.355 -2.660 -10.951 351 HD22 ASN 627 HD22 ASN 627 -9.377 -3.583 -12.412 352 H LEU 628 H LEU 628 -6.117 -3.629 -7.156 353 HA LEU 628 HA LEU 628 -4.163 -1.514 -6.889 354 HB2 LEU 628 HB2 LEU 628 -6.284 -2.553 -5.056 355 HB3 LEU 628 HB3 LEU 628 -4.985 -1.585 -4.415 356 HG LEU 628 HG LEU 628 -7.354 -0.766 -6.017 357 HD11 LEU 628 HD11 LEU 628 -7.167 1.231 -4.603 358 HD12 LEU 628 HD12 LEU 628 -5.680 0.577 -3.896 359 HD13 LEU 628 HD13 LEU 628 -7.215 -0.252 -3.641 360 HD21 LEU 628 HD21 LEU 628 -4.619 0.432 -6.295 361 HD22 LEU 628 HD22 LEU 628 -6.102 1.340 -6.627 362 HD23 LEU 628 HD23 LEU 628 -5.715 -0.103 -7.578 363 H VAL 629 H VAL 629 -4.462 -4.899 -6.085 364 HA VAL 629 HA VAL 629 -2.164 -5.254 -4.506 365 HB VAL 629 HB VAL 629 -3.390 -7.068 -6.607 366 HG11 VAL 629 HG11 VAL 629 -2.176 -8.937 -5.563 367 HG12 VAL 629 HG12 VAL 629 -1.277 -7.782 -4.568 368 HG13 VAL 629 HG13 VAL 629 -1.094 -7.768 -6.326 369 HG21 VAL 629 HG21 VAL 629 -3.601 -7.092 -3.600 370 HG22 VAL 629 HG22 VAL 629 -4.345 -8.256 -4.691 371 HG23 VAL 629 HG23 VAL 629 -4.855 -6.568 -4.723 372 H ALA 630 H ALA 630 -2.599 -4.960 -7.984 373 HA ALA 630 HA ALA 630 0.151 -5.225 -8.695 374 HB1 ALA 630 HB1 ALA 630 -0.640 -4.485 -10.917 375 HB2 ALA 630 HB2 ALA 630 -2.226 -4.162 -10.207 376 HB3 ALA 630 HB3 ALA 630 -1.595 -5.810 -10.245 377 H TYR 631 H TYR 631 -1.816 -2.692 -7.523 378 HA TYR 631 HA TYR 631 -0.210 -0.459 -8.355 379 HB2 TYR 631 HB2 TYR 631 -2.702 -0.498 -7.743 380 HB3 TYR 631 HB3 TYR 631 -2.187 -0.583 -6.071 381 HD1 TYR 631 HD1 TYR 631 -3.294 1.625 -8.585 382 HD2 TYR 631 HD2 TYR 631 -0.500 1.340 -5.374 383 HE1 TYR 631 HE1 TYR 631 -3.258 4.069 -8.426 384 HE2 TYR 631 HE2 TYR 631 -0.482 3.796 -5.191 385 HH TYR 631 HH TYR 631 -2.748 5.791 -6.755 386 H ALA 632 H ALA 632 -0.464 -2.533 -5.513 387 HA ALA 632 HA ALA 632 1.471 -1.016 -3.975 388 HB1 ALA 632 HB1 ALA 632 -0.238 -1.935 -2.662 389 HB2 ALA 632 HB2 ALA 632 1.181 -2.944 -2.349 390 HB3 ALA 632 HB3 ALA 632 -0.091 -3.515 -3.432 391 H LYS 633 H LYS 633 1.486 -3.693 -6.160 392 HA LYS 633 HA LYS 633 3.722 -5.140 -5.324 393 HB2 LYS 633 HB2 LYS 633 2.238 -4.826 -7.860 394 HB3 LYS 633 HB3 LYS 633 3.860 -5.479 -7.988 395 HG2 LYS 633 HG2 LYS 633 3.253 -7.263 -6.406 396 HG3 LYS 633 HG3 LYS 633 1.615 -6.616 -6.325 397 HD2 LYS 633 HD2 LYS 633 1.296 -7.065 -8.693 398 HD3 LYS 633 HD3 LYS 633 2.952 -7.603 -8.836 399 HE2 LYS 633 HE2 LYS 633 2.482 -9.473 -7.327 400 HE3 LYS 633 HE3 LYS 633 0.824 -8.909 -7.142 401 HZ1 LYS 633 HZ1 LYS 633 0.981 -10.725 -8.730 402 HZ2 LYS 633 HZ2 LYS 633 2.053 -9.831 -9.685 403 HZ3 LYS 633 HZ3 LYS 633 0.456 -9.309 -9.493 404 H LYS 634 H LYS 634 3.488 -2.115 -7.048 405 HA LYS 634 HA LYS 634 6.176 -2.140 -8.068 406 HB2 LYS 634 HB2 LYS 634 4.396 -1.102 -9.389 407 HB3 LYS 634 HB3 LYS 634 4.094 0.032 -8.096 408 HG2 LYS 634 HG2 LYS 634 6.306 1.008 -8.411 409 HG3 LYS 634 HG3 LYS 634 6.612 -0.155 -9.697 410 HD2 LYS 634 HD2 LYS 634 4.794 0.814 -11.022 411 HD3 LYS 634 HD3 LYS 634 4.432 1.943 -9.722 412 HE2 LYS 634 HE2 LYS 634 6.636 2.980 -10.005 413 HE3 LYS 634 HE3 LYS 634 7.018 1.832 -11.283 414 HZ1 LYS 634 HZ1 LYS 634 6.297 3.954 -12.183 415 HZ2 LYS 634 HZ2 LYS 634 4.817 3.821 -11.375 416 HZ3 LYS 634 HZ3 LYS 634 5.211 2.726 -12.600 417 H VAL 635 H VAL 635 4.373 -0.554 -5.478 418 HA VAL 635 HA VAL 635 6.260 1.504 -5.001 419 HB VAL 635 HB VAL 635 4.040 0.521 -3.192 420 HG11 VAL 635 HG11 VAL 635 4.254 2.778 -2.113 421 HG12 VAL 635 HG12 VAL 635 5.796 2.963 -2.963 422 HG13 VAL 635 HG13 VAL 635 5.575 1.655 -1.794 423 HG21 VAL 635 HG21 VAL 635 3.156 1.407 -5.273 424 HG22 VAL 635 HG22 VAL 635 4.087 2.891 -5.066 425 HG23 VAL 635 HG23 VAL 635 2.789 2.493 -3.933 426 H GLU 636 H GLU 636 6.031 -1.757 -3.839 427 HA GLU 636 HA GLU 636 7.768 -1.564 -1.581 428 HB2 GLU 636 HB2 GLU 636 7.953 -4.028 -1.845 429 HB3 GLU 636 HB3 GLU 636 6.288 -3.477 -1.886 430 HG2 GLU 636 HG2 GLU 636 6.196 -4.931 -3.610 431 HG3 GLU 636 HG3 GLU 636 6.742 -3.520 -4.502 432 H GLY 637 H GLY 637 8.272 -2.078 -5.049 433 HA2 GLY 637 HA2 GLY 637 11.120 -2.570 -4.788 434 HA3 GLY 637 HA3 GLY 637 10.206 -2.482 -6.284 435 H ASP 638 H ASP 638 9.065 0.175 -5.327 436 HA ASP 638 HA ASP 638 11.089 1.887 -6.447 437 HB2 ASP 638 HB2 ASP 638 8.325 2.366 -5.328 438 HB3 ASP 638 HB3 ASP 638 9.356 3.693 -5.848 439 H MET 639 H MET 639 10.204 0.855 -3.301 440 HA MET 639 HA MET 639 11.353 3.018 -1.809 441 HB2 MET 639 HB2 MET 639 10.494 0.235 -1.028 442 HB3 MET 639 HB3 MET 639 11.090 1.436 0.116 443 HG2 MET 639 HG2 MET 639 8.660 1.722 -1.626 444 HG3 MET 639 HG3 MET 639 8.650 1.316 0.078 445 HE1 MET 639 HE1 MET 639 7.730 3.862 -2.174 446 HE2 MET 639 HE2 MET 639 9.437 3.987 -2.601 447 HE3 MET 639 HE3 MET 639 8.621 5.346 -1.821 448 H TYR 640 H TYR 640 12.563 0.198 -3.358 449 HA TYR 640 HA TYR 640 14.864 -0.283 -1.721 450 HB2 TYR 640 HB2 TYR 640 14.902 -2.188 -2.906 451 HB3 TYR 640 HB3 TYR 640 13.506 -1.599 -3.809 452 HD1 TYR 640 HD1 TYR 640 17.233 -1.158 -3.807 453 HD2 TYR 640 HD2 TYR 640 13.681 -1.617 -6.107 454 HE1 TYR 640 HE1 TYR 640 18.573 -1.157 -5.866 455 HE2 TYR 640 HE2 TYR 640 15.012 -1.618 -8.177 456 HH TYR 640 HH TYR 640 18.389 -1.959 -8.176 457 H GLU 641 H GLU 641 14.192 1.667 -4.562 458 HA GLU 641 HA GLU 641 16.992 2.324 -4.993 459 HB2 GLU 641 HB2 GLU 641 14.461 2.749 -6.469 460 HB3 GLU 641 HB3 GLU 641 15.681 3.989 -6.662 461 HG2 GLU 641 HG2 GLU 641 16.747 1.304 -6.938 462 HG3 GLU 641 HG3 GLU 641 15.495 1.697 -8.108 463 H SER 642 H SER 642 14.291 3.605 -3.281 464 HA SER 642 HA SER 642 15.367 6.315 -3.186 465 HB2 SER 642 HB2 SER 642 13.289 6.910 -2.054 466 HB3 SER 642 HB3 SER 642 12.937 5.989 -3.516 467 HG SER 642 HG SER 642 13.221 4.608 -1.098 468 H ALA 643 H ALA 643 15.050 3.490 -1.136 469 HA ALA 643 HA ALA 643 16.026 4.972 1.199 470 HB1 ALA 643 HB1 ALA 643 15.004 2.140 1.013 471 HB2 ALA 643 HB2 ALA 643 14.069 3.543 1.529 472 HB3 ALA 643 HB3 ALA 643 15.439 2.994 2.495 473 H ASN 644 H ASN 644 17.935 4.506 2.228 474 HA ASN 644 HA ASN 644 19.804 2.739 0.792 475 HB2 ASN 644 HB2 ASN 644 20.417 5.172 2.491 476 HB3 ASN 644 HB3 ASN 644 21.629 4.135 1.752 477 HD21 ASN 644 HD21 ASN 644 19.652 6.834 1.367 478 HD22 ASN 644 HD22 ASN 644 19.949 7.128 -0.311 479 H SER 645 H SER 645 18.038 2.982 3.623 480 HA SER 645 HA SER 645 19.777 1.053 5.010 481 HB2 SER 645 HB2 SER 645 18.352 3.418 6.262 482 HB3 SER 645 HB3 SER 645 19.152 2.138 7.172 483 HG SER 645 HG SER 645 20.735 3.570 6.995 484 H ARG 646 H ARG 646 18.634 -0.274 6.601 485 HA ARG 646 HA ARG 646 16.236 -1.337 5.491 486 HB2 ARG 646 HB2 ARG 646 17.983 -2.742 6.523 487 HB3 ARG 646 HB3 ARG 646 17.600 -2.047 8.089 488 HG2 ARG 646 HG2 ARG 646 15.300 -2.975 7.874 489 HG3 ARG 646 HG3 ARG 646 15.809 -3.777 6.388 490 HD2 ARG 646 HD2 ARG 646 15.926 -5.359 8.204 491 HD3 ARG 646 HD3 ARG 646 17.562 -4.966 7.686 492 HE ARG 646 HE ARG 646 17.967 -4.056 9.749 493 HH11 ARG 646 HH11 ARG 646 14.489 -4.460 9.429 494 HH12 ARG 646 HH12 ARG 646 14.178 -4.059 11.085 495 HH21 ARG 646 HH21 ARG 646 17.532 -3.533 11.909 496 HH22 ARG 646 HH22 ARG 646 15.899 -3.539 12.487 497 H ASP 647 H ASP 647 16.870 0.866 8.109 498 HA ASP 647 HA ASP 647 14.241 0.604 9.285 499 HB2 ASP 647 HB2 ASP 647 16.551 2.499 9.760 500 HB3 ASP 647 HB3 ASP 647 15.011 2.670 10.593 501 H GLU 648 H GLU 648 15.741 2.531 6.802 502 HA GLU 648 HA GLU 648 13.543 4.425 6.638 503 HB2 GLU 648 HB2 GLU 648 15.957 4.011 4.848 504 HB3 GLU 648 HB3 GLU 648 14.798 5.317 4.678 505 HG2 GLU 648 HG2 GLU 648 16.501 4.883 7.126 506 HG3 GLU 648 HG3 GLU 648 16.939 5.951 5.796 507 H TYR 649 H TYR 649 14.778 1.620 4.889 508 HA TYR 649 HA TYR 649 13.054 1.588 2.696 509 HB2 TYR 649 HB2 TYR 649 15.062 0.207 2.837 510 HB3 TYR 649 HB3 TYR 649 14.396 -0.681 4.191 511 HD1 TYR 649 HD1 TYR 649 13.856 -0.034 0.554 512 HD2 TYR 649 HD2 TYR 649 13.230 -2.651 3.845 513 HE1 TYR 649 HE1 TYR 649 12.966 -1.782 -0.983 514 HE2 TYR 649 HE2 TYR 649 12.351 -4.363 2.337 515 HH TYR 649 HH TYR 649 11.308 -4.576 0.222 516 H TYR 650 H TYR 650 12.685 -0.086 5.829 517 HA TYR 650 HA TYR 650 10.053 -1.012 5.255 518 HB2 TYR 650 HB2 TYR 650 11.657 -0.935 7.814 519 HB3 TYR 650 HB3 TYR 650 10.059 -1.661 7.694 520 HD1 TYR 650 HD1 TYR 650 12.870 -2.935 8.395 521 HD2 TYR 650 HD2 TYR 650 10.464 -2.852 4.879 522 HE1 TYR 650 HE1 TYR 650 13.869 -5.045 7.671 523 HE2 TYR 650 HE2 TYR 650 11.479 -4.964 4.139 524 HH TYR 650 HH TYR 650 13.551 -6.242 4.512 525 H HIS 651 H HIS 651 11.205 2.018 6.365 526 HA HIS 651 HA HIS 651 8.888 2.667 7.986 527 HB2 HIS 651 HB2 HIS 651 11.123 3.542 8.576 528 HB3 HIS 651 HB3 HIS 651 11.172 4.424 7.057 529 HD1 HIS 651 HD1 HIS 651 8.963 4.298 10.161 530 HD2 HIS 651 HD2 HIS 651 10.317 6.989 7.299 531 HE1 HIS 651 HE1 HIS 651 8.042 6.534 10.850 532 HE2 HIS 651 HE2 HIS 651 8.928 8.158 9.140 533 H LEU 652 H LEU 652 10.169 3.661 4.820 534 HA LEU 652 HA LEU 652 8.308 5.562 4.069 535 HB2 LEU 652 HB2 LEU 652 9.804 3.537 2.475 536 HB3 LEU 652 HB3 LEU 652 8.850 4.790 1.733 537 HG LEU 652 HG LEU 652 11.188 5.365 3.552 538 HD11 LEU 652 HD11 LEU 652 12.033 4.204 1.573 539 HD12 LEU 652 HD12 LEU 652 12.472 5.912 1.548 540 HD13 LEU 652 HD13 LEU 652 11.151 5.325 0.537 541 HD21 LEU 652 HD21 LEU 652 11.018 7.576 2.415 542 HD22 LEU 652 HD22 LEU 652 9.632 7.155 3.429 543 HD23 LEU 652 HD23 LEU 652 9.520 7.003 1.676 544 H LEU 653 H LEU 653 8.096 2.058 3.771 545 HA LEU 653 HA LEU 653 5.524 2.000 2.530 546 HB2 LEU 653 HB2 LEU 653 7.015 -0.122 4.069 547 HB3 LEU 653 HB3 LEU 653 5.502 -0.402 3.242 548 HG LEU 653 HG LEU 653 8.051 0.436 1.852 549 HD11 LEU 653 HD11 LEU 653 6.797 -2.261 2.188 550 HD12 LEU 653 HD12 LEU 653 8.355 -1.728 2.817 551 HD13 LEU 653 HD13 LEU 653 8.111 -1.881 1.074 552 HD21 LEU 653 HD21 LEU 653 6.960 -0.050 -0.180 553 HD22 LEU 653 HD22 LEU 653 5.853 0.981 0.725 554 HD23 LEU 653 HD23 LEU 653 5.573 -0.758 0.648 555 H ALA 654 H ALA 654 6.618 1.904 5.887 556 HA ALA 654 HA ALA 654 4.030 1.533 7.059 557 HB1 ALA 654 HB1 ALA 654 5.104 2.162 9.149 558 HB2 ALA 654 HB2 ALA 654 6.529 2.717 8.272 559 HB3 ALA 654 HB3 ALA 654 6.100 1.006 8.263 560 H GLU 655 H GLU 655 5.802 4.246 5.809 561 HA GLU 655 HA GLU 655 4.262 6.318 7.018 562 HB2 GLU 655 HB2 GLU 655 6.528 6.706 6.082 563 HB3 GLU 655 HB3 GLU 655 5.896 6.423 4.470 564 HG2 GLU 655 HG2 GLU 655 4.450 8.393 4.700 565 HG3 GLU 655 HG3 GLU 655 5.119 8.683 6.306 566 H LYS 656 H LYS 656 4.012 4.614 3.907 567 HA LYS 656 HA LYS 656 1.748 6.054 2.964 568 HB2 LYS 656 HB2 LYS 656 2.690 3.257 2.351 569 HB3 LYS 656 HB3 LYS 656 1.308 3.982 1.569 570 HG2 LYS 656 HG2 LYS 656 3.845 5.494 1.408 571 HG3 LYS 656 HG3 LYS 656 3.774 3.969 0.516 572 HD2 LYS 656 HD2 LYS 656 2.997 5.446 -1.073 573 HD3 LYS 656 HD3 LYS 656 1.479 4.939 -0.330 574 HE2 LYS 656 HE2 LYS 656 1.677 6.948 1.177 575 HE3 LYS 656 HE3 LYS 656 3.019 7.480 0.165 576 HZ1 LYS 656 HZ1 LYS 656 1.527 7.505 -1.736 577 HZ2 LYS 656 HZ2 LYS 656 0.946 8.513 -0.509 578 HZ3 LYS 656 HZ3 LYS 656 0.239 6.996 -0.763 579 H ILE 657 H ILE 657 2.219 3.530 5.260 580 HA ILE 657 HA ILE 657 -0.437 2.461 5.245 581 HB ILE 657 HB ILE 657 2.017 2.076 6.912 582 HG12 ILE 657 HG12 ILE 657 0.224 0.102 5.487 583 HG13 ILE 657 HG13 ILE 657 1.583 0.909 4.729 584 HG21 ILE 657 HG21 ILE 657 1.021 0.685 8.532 585 HG22 ILE 657 HG22 ILE 657 -0.546 0.722 7.719 586 HG23 ILE 657 HG23 ILE 657 0.066 2.177 8.519 587 HD11 ILE 657 HD11 ILE 657 2.069 -1.407 5.405 588 HD12 ILE 657 HD12 ILE 657 1.783 -0.959 7.087 589 HD13 ILE 657 HD13 ILE 657 3.126 -0.239 6.199 590 H TYR 658 H TYR 658 1.169 5.067 6.898 591 HA TYR 658 HA TYR 658 -0.942 5.426 8.837 592 HB2 TYR 658 HB2 TYR 658 1.585 6.936 8.185 593 HB3 TYR 658 HB3 TYR 658 0.415 7.562 9.328 594 HD1 TYR 658 HD1 TYR 658 3.408 5.848 9.101 595 HD2 TYR 658 HD2 TYR 658 -0.322 5.659 11.145 596 HE1 TYR 658 HE1 TYR 658 4.462 4.538 10.895 597 HE2 TYR 658 HE2 TYR 658 0.723 4.343 12.941 598 HH TYR 658 HH TYR 658 4.080 4.028 13.273 599 H LYS 659 H LYS 659 0.120 6.871 5.795 600 HA LYS 659 HA LYS 659 -1.669 9.112 5.883 601 HB2 LYS 659 HB2 LYS 659 -0.013 7.973 3.647 602 HB3 LYS 659 HB3 LYS 659 -1.006 9.405 3.468 603 HG2 LYS 659 HG2 LYS 659 0.320 10.594 5.085 604 HG3 LYS 659 HG3 LYS 659 1.245 9.141 5.456 605 HD2 LYS 659 HD2 LYS 659 2.139 9.117 3.168 606 HD3 LYS 659 HD3 LYS 659 1.222 10.571 2.783 607 HE2 LYS 659 HE2 LYS 659 2.478 11.812 4.468 608 HE3 LYS 659 HE3 LYS 659 3.371 10.345 4.861 609 HZ1 LYS 659 HZ1 LYS 659 3.415 11.716 2.230 610 HZ2 LYS 659 HZ2 LYS 659 4.288 10.326 2.636 611 HZ3 LYS 659 HZ3 LYS 659 4.637 11.796 3.397 612 H ILE 660 H ILE 660 -1.815 5.896 4.506 613 HA ILE 660 HA ILE 660 -4.233 6.273 3.022 614 HB ILE 660 HB ILE 660 -2.796 3.795 4.022 615 HG12 ILE 660 HG12 ILE 660 -3.273 4.717 1.182 616 HG13 ILE 660 HG13 ILE 660 -1.877 5.228 2.118 617 HG21 ILE 660 HG21 ILE 660 -5.306 3.859 2.335 618 HG22 ILE 660 HG22 ILE 660 -5.166 3.235 3.975 619 HG23 ILE 660 HG23 ILE 660 -4.324 2.431 2.652 620 HD11 ILE 660 HD11 ILE 660 -2.534 2.359 1.484 621 HD12 ILE 660 HD12 ILE 660 -1.061 2.972 2.235 622 HD13 ILE 660 HD13 ILE 660 -1.425 3.362 0.553 623 H GLN 661 H GLN 661 -3.420 5.531 6.317 624 HA GLN 661 HA GLN 661 -6.063 4.836 7.177 625 HB2 GLN 661 HB2 GLN 661 -3.443 5.353 8.528 626 HB3 GLN 661 HB3 GLN 661 -4.908 5.266 9.487 627 HG2 GLN 661 HG2 GLN 661 -5.320 3.008 8.721 628 HG3 GLN 661 HG3 GLN 661 -3.954 3.092 7.626 629 HE21 GLN 661 HE21 GLN 661 -3.840 0.960 9.133 630 HE22 GLN 661 HE22 GLN 661 -2.757 1.132 10.469 631 H LYS 662 H LYS 662 -4.377 7.801 6.663 632 HA LYS 662 HA LYS 662 -6.008 9.429 8.412 633 HB2 LYS 662 HB2 LYS 662 -3.687 10.101 7.827 634 HB3 LYS 662 HB3 LYS 662 -4.176 10.249 6.159 635 HG2 LYS 662 HG2 LYS 662 -5.648 12.121 6.779 636 HG3 LYS 662 HG3 LYS 662 -5.118 11.984 8.431 637 HD2 LYS 662 HD2 LYS 662 -2.821 12.493 7.669 638 HD3 LYS 662 HD3 LYS 662 -3.465 12.710 6.059 639 HE2 LYS 662 HE2 LYS 662 -4.416 14.257 8.414 640 HE3 LYS 662 HE3 LYS 662 -3.124 14.820 7.368 641 HZ1 LYS 662 HZ1 LYS 662 -5.245 15.778 6.733 642 HZ2 LYS 662 HZ2 LYS 662 -5.910 14.237 6.516 643 HZ3 LYS 662 HZ3 LYS 662 -4.664 14.769 5.504 644 H GLU 663 H GLU 663 -5.880 8.744 4.943 645 HA GLU 663 HA GLU 663 -7.759 10.688 4.153 646 HB2 GLU 663 HB2 GLU 663 -6.647 8.256 2.776 647 HB3 GLU 663 HB3 GLU 663 -7.756 9.359 2.009 648 HG2 GLU 663 HG2 GLU 663 -6.174 11.163 2.189 649 HG3 GLU 663 HG3 GLU 663 -5.060 10.115 3.060 650 H LEU 664 H LEU 664 -8.122 7.181 4.680 651 HA LEU 664 HA LEU 664 -10.869 6.946 4.203 652 HB2 LEU 664 HB2 LEU 664 -9.093 5.453 6.136 653 HB3 LEU 664 HB3 LEU 664 -10.773 5.046 5.906 654 HG LEU 664 HG LEU 664 -8.708 4.934 3.703 655 HD11 LEU 664 HD11 LEU 664 -9.759 2.611 5.299 656 HD12 LEU 664 HD12 LEU 664 -8.175 3.353 5.525 657 HD13 LEU 664 HD13 LEU 664 -8.570 2.568 3.996 658 HD21 LEU 664 HD21 LEU 664 -11.404 3.626 3.812 659 HD22 LEU 664 HD22 LEU 664 -10.293 3.702 2.447 660 HD23 LEU 664 HD23 LEU 664 -11.091 5.169 3.019 661 H GLU 665 H GLU 665 -9.225 8.452 6.851 662 HA GLU 665 HA GLU 665 -11.536 8.481 8.610 663 HB2 GLU 665 HB2 GLU 665 -8.703 9.434 8.781 664 HB3 GLU 665 HB3 GLU 665 -9.886 10.089 9.900 665 HG2 GLU 665 HG2 GLU 665 -9.933 7.172 9.729 666 HG3 GLU 665 HG3 GLU 665 -8.389 7.825 10.278 667 H GLU 666 H GLU 666 -10.206 10.435 6.099 668 HA GLU 666 HA GLU 666 -11.419 12.922 6.865 669 HB2 GLU 666 HB2 GLU 666 -10.240 11.997 4.241 670 HB3 GLU 666 HB3 GLU 666 -10.828 13.626 4.532 671 HG2 GLU 666 HG2 GLU 666 -8.632 12.320 6.118 672 HG3 GLU 666 HG3 GLU 666 -8.365 13.366 4.725 673 H LYS 667 H LYS 667 -12.428 10.123 5.067 674 HA LYS 667 HA LYS 667 -14.792 11.369 3.976 675 HB2 LYS 667 HB2 LYS 667 -13.982 8.480 4.016 676 HB3 LYS 667 HB3 LYS 667 -15.357 9.129 3.141 677 HG2 LYS 667 HG2 LYS 667 -12.464 9.806 2.640 678 HG3 LYS 667 HG3 LYS 667 -13.471 8.726 1.690 679 HD2 LYS 667 HD2 LYS 667 -14.961 10.673 1.176 680 HD3 LYS 667 HD3 LYS 667 -13.828 11.707 2.034 681 HE2 LYS 667 HE2 LYS 667 -13.128 10.049 -0.389 682 HE3 LYS 667 HE3 LYS 667 -13.596 11.743 -0.439 683 HZ1 LYS 667 HZ1 LYS 667 -11.188 11.468 -0.479 684 HZ2 LYS 667 HZ2 LYS 667 -11.237 10.657 1.006 685 HZ3 LYS 667 HZ3 LYS 667 -11.677 12.289 0.917 686 H ARG 668 H ARG 668 -13.892 9.933 6.907 687 HA ARG 668 HA ARG 668 -16.439 8.904 7.728 688 HB2 ARG 668 HB2 ARG 668 -13.809 9.404 9.092 689 HB3 ARG 668 HB3 ARG 668 -15.227 8.970 10.031 690 HG2 ARG 668 HG2 ARG 668 -15.443 6.912 8.732 691 HG3 ARG 668 HG3 ARG 668 -13.993 7.338 7.825 692 HD2 ARG 668 HD2 ARG 668 -12.688 7.323 9.886 693 HD3 ARG 668 HD3 ARG 668 -14.137 6.924 10.808 694 HE ARG 668 HE ARG 668 -13.809 4.978 8.831 695 HH11 ARG 668 HH11 ARG 668 -12.143 6.034 11.740 696 HH12 ARG 668 HH12 ARG 668 -11.481 4.467 12.067 697 HH21 ARG 668 HH21 ARG 668 -12.929 2.936 9.283 698 HH22 ARG 668 HH22 ARG 668 -11.924 2.717 10.677 699 H ARG 669 H ARG 669 -14.814 11.993 7.947 700 HA ARG 669 HA ARG 669 -16.740 13.066 9.858 701 HB2 ARG 669 HB2 ARG 669 -14.319 14.318 8.536 702 HB3 ARG 669 HB3 ARG 669 -15.375 15.153 9.659 703 HG2 ARG 669 HG2 ARG 669 -14.734 13.703 11.438 704 HG3 ARG 669 HG3 ARG 669 -13.833 12.659 10.332 705 HD2 ARG 669 HD2 ARG 669 -12.424 14.643 9.773 706 HD3 ARG 669 HD3 ARG 669 -13.268 15.510 11.049 707 HE ARG 669 HE ARG 669 -12.291 13.227 12.232 708 HH11 ARG 669 HH11 ARG 669 -10.851 15.960 10.557 709 HH12 ARG 669 HH12 ARG 669 -9.366 15.868 11.445 710 HH21 ARG 669 HH21 ARG 669 -10.339 13.129 13.383 711 HH22 ARG 669 HH22 ARG 669 -9.078 14.266 13.042 712 H SER 670 H SER 670 -16.639 12.648 6.548 713 HA SER 670 HA SER 670 -17.778 15.202 5.788 714 HB2 SER 670 HB2 SER 670 -17.691 14.328 3.504 715 HB3 SER 670 HB3 SER 670 -16.150 14.127 4.332 716 HG SER 670 HG SER 670 -17.247 12.269 3.087 717 H ARG 671 H ARG 671 -18.880 11.843 6.132 718 HA ARG 671 HA ARG 671 -21.605 12.749 5.529 719 HB2 ARG 671 HB2 ARG 671 -20.373 10.078 4.952 720 HB3 ARG 671 HB3 ARG 671 -22.078 10.446 4.752 721 HG2 ARG 671 HG2 ARG 671 -21.399 12.244 3.138 722 HG3 ARG 671 HG3 ARG 671 -19.755 11.630 3.254 723 HD2 ARG 671 HD2 ARG 671 -22.149 10.057 2.431 724 HD3 ARG 671 HD3 ARG 671 -20.954 10.723 1.321 725 HE ARG 671 HE ARG 671 -20.653 8.404 3.050 726 HH11 ARG 671 HH11 ARG 671 -19.026 10.705 0.950 727 HH12 ARG 671 HH12 ARG 671 -17.648 9.685 0.710 728 HH21 ARG 671 HH21 ARG 671 -18.838 7.087 2.718 729 HH22 ARG 671 HH22 ARG 671 -17.543 7.640 1.709 730 H LEU 672 H LEU 672 -20.559 9.701 6.918 731 HA LEU 672 HA LEU 672 -22.454 9.892 9.015 732 HB2 LEU 672 HB2 LEU 672 -20.343 7.789 8.533 733 HB3 LEU 672 HB3 LEU 672 -21.550 7.714 9.787 734 HG LEU 672 HG LEU 672 -22.083 7.570 6.821 735 HD11 LEU 672 HD11 LEU 672 -22.959 5.243 7.824 736 HD12 LEU 672 HD12 LEU 672 -21.613 5.588 8.923 737 HD13 LEU 672 HD13 LEU 672 -21.334 5.497 7.184 738 HD21 LEU 672 HD21 LEU 672 -24.041 7.304 9.104 739 HD22 LEU 672 HD22 LEU 672 -24.392 7.025 7.399 740 HD23 LEU 672 HD23 LEU 672 -23.965 8.640 7.957 741 H1 GLY 519 H1 GLY 519 21.483 22.371 -10.501 742 H2 GLY 519 H2 GLY 519 21.999 21.581 -9.098 743 H3 GLY 519 H3 GLY 519 22.462 23.182 -9.384 744 HA2 GLY 519 HA2 GLY 519 19.692 22.239 -8.884 745 HA3 GLY 519 HA3 GLY 519 20.708 23.078 -7.723 746 H SER 520 H SER 520 18.335 23.427 -10.038 747 HA SER 520 HA SER 520 18.963 26.251 -10.549 748 HB2 SER 520 HB2 SER 520 18.535 24.987 -12.572 749 HB3 SER 520 HB3 SER 520 17.020 24.370 -11.915 750 HG SER 520 HG SER 520 17.099 26.341 -13.424 751 HA PRO 521 HA PRO 521 15.813 27.348 -7.539 752 HB2 PRO 521 HB2 PRO 521 15.593 30.006 -8.117 753 HB3 PRO 521 HB3 PRO 521 16.945 29.320 -7.220 754 HG2 PRO 521 HG2 PRO 521 16.800 30.061 -10.036 755 HG3 PRO 521 HG3 PRO 521 18.032 30.278 -8.985 756 HD2 PRO 521 HD2 PRO 521 18.036 28.402 -10.745 757 HD3 PRO 521 HD3 PRO 521 18.828 28.267 -9.323 758 H GLY 522 H GLY 522 13.678 27.091 -7.553 759 HA2 GLY 522 HA2 GLY 522 11.495 27.926 -8.277 760 HA3 GLY 522 HA3 GLY 522 12.137 27.982 -9.912 761 H TYR 523 H TYR 523 10.407 26.175 -7.650 762 HA TYR 523 HA TYR 523 9.462 24.117 -7.573 763 HB2 TYR 523 HB2 TYR 523 9.828 24.197 -10.581 764 HB3 TYR 523 HB3 TYR 523 8.791 23.072 -9.714 765 HD1 TYR 523 HD1 TYR 523 9.182 26.519 -10.884 766 HD2 TYR 523 HD2 TYR 523 6.684 23.829 -8.726 767 HE1 TYR 523 HE1 TYR 523 7.325 28.124 -11.039 768 HE2 TYR 523 HE2 TYR 523 4.823 25.430 -8.876 769 HH TYR 523 HH TYR 523 4.878 28.127 -10.942 770 HA PRO 524 HA PRO 524 13.444 21.752 -7.399 771 HB2 PRO 524 HB2 PRO 524 11.852 20.497 -5.192 772 HB3 PRO 524 HB3 PRO 524 13.569 20.919 -5.232 773 HG2 PRO 524 HG2 PRO 524 12.053 22.506 -3.936 774 HG3 PRO 524 HG3 PRO 524 13.037 23.211 -5.032 775 HD2 PRO 524 HD2 PRO 524 10.142 22.432 -5.614 776 HD3 PRO 524 HD3 PRO 524 10.736 23.936 -5.842 777 H ASN 525 H ASN 525 10.216 20.267 -6.891 778 HA ASN 525 HA ASN 525 10.753 18.389 -9.045 779 HB2 ASN 525 HB2 ASN 525 11.551 17.247 -6.964 780 HB3 ASN 525 HB3 ASN 525 9.921 17.356 -6.318 781 HD21 ASN 525 HD21 ASN 525 8.883 15.510 -6.437 782 HD22 ASN 525 HD22 ASN 525 9.016 14.337 -7.697 783 H GLY 526 H GLY 526 8.442 19.598 -6.648 784 HA2 GLY 526 HA2 GLY 526 6.327 20.499 -7.395 785 HA3 GLY 526 HA3 GLY 526 6.305 19.278 -8.658 786 H LEU 527 H LEU 527 4.225 19.869 -6.743 787 HA LEU 527 HA LEU 527 4.106 17.294 -5.327 788 HB2 LEU 527 HB2 LEU 527 2.912 19.930 -4.536 789 HB3 LEU 527 HB3 LEU 527 2.525 18.425 -3.737 790 HG LEU 527 HG LEU 527 5.243 19.772 -3.759 791 HD11 LEU 527 HD11 LEU 527 3.623 21.007 -2.469 792 HD12 LEU 527 HD12 LEU 527 4.793 20.228 -1.404 793 HD13 LEU 527 HD13 LEU 527 3.176 19.547 -1.587 794 HD21 LEU 527 HD21 LEU 527 5.809 18.135 -1.970 795 HD22 LEU 527 HD22 LEU 527 5.585 17.412 -3.566 796 HD23 LEU 527 HD23 LEU 527 4.312 17.274 -2.346 797 H LEU 528 H LEU 528 3.185 18.285 -8.070 798 HA LEU 528 HA LEU 528 0.348 18.299 -8.049 799 HB2 LEU 528 HB2 LEU 528 2.291 17.786 -10.312 800 HB3 LEU 528 HB3 LEU 528 0.582 18.074 -10.524 801 HG LEU 528 HG LEU 528 2.545 20.088 -9.404 802 HD11 LEU 528 HD11 LEU 528 2.986 19.675 -11.739 803 HD12 LEU 528 HD12 LEU 528 2.175 21.232 -11.567 804 HD13 LEU 528 HD13 LEU 528 1.271 19.823 -12.121 805 HD21 LEU 528 HD21 LEU 528 0.249 20.401 -8.576 806 HD22 LEU 528 HD22 LEU 528 -0.342 20.411 -10.238 807 HD23 LEU 528 HD23 LEU 528 0.731 21.693 -9.676 808 H SER 529 H SER 529 2.423 15.892 -7.346 809 HA SER 529 HA SER 529 0.516 13.767 -7.654 810 HB2 SER 529 HB2 SER 529 1.439 13.634 -9.898 811 HB3 SER 529 HB3 SER 529 3.082 13.679 -9.265 812 HG SER 529 HG SER 529 2.763 11.651 -8.363 813 H GLY 530 H GLY 530 0.622 13.025 -5.629 814 HA2 GLY 530 HA2 GLY 530 3.098 11.969 -4.588 815 HA3 GLY 530 HA3 GLY 530 2.531 13.398 -3.737 816 H ASP 531 H ASP 531 0.069 13.230 -3.176 817 HA ASP 531 HA ASP 531 -0.524 10.525 -2.181 818 HB2 ASP 531 HB2 ASP 531 -0.527 13.108 -0.607 819 HB3 ASP 531 HB3 ASP 531 -1.373 11.669 -0.057 820 H GLU 532 H GLU 532 -1.519 12.962 -4.086 821 HA GLU 532 HA GLU 532 -4.330 12.913 -3.388 822 HB2 GLU 532 HB2 GLU 532 -2.766 14.545 -5.367 823 HB3 GLU 532 HB3 GLU 532 -4.486 14.685 -5.131 824 HG2 GLU 532 HG2 GLU 532 -4.010 15.257 -2.745 825 HG3 GLU 532 HG3 GLU 532 -2.306 15.323 -3.176 826 H ASP 533 H ASP 533 -2.327 11.154 -5.232 827 HA ASP 533 HA ASP 533 -4.078 10.695 -7.492 828 HB2 ASP 533 HB2 ASP 533 -1.319 9.782 -6.744 829 HB3 ASP 533 HB3 ASP 533 -2.182 9.086 -8.098 830 H PHE 534 H PHE 534 -3.148 9.154 -4.489 831 HA PHE 534 HA PHE 534 -4.374 6.624 -5.188 832 HB2 PHE 534 HB2 PHE 534 -2.194 6.800 -3.933 833 HB3 PHE 534 HB3 PHE 534 -3.073 7.511 -2.594 834 HD1 PHE 534 HD1 PHE 534 -2.676 4.487 -4.608 835 HD2 PHE 534 HD2 PHE 534 -4.147 6.114 -0.975 836 HE1 PHE 534 HE1 PHE 534 -3.028 2.211 -3.738 837 HE2 PHE 534 HE2 PHE 534 -4.500 3.849 -0.089 838 HZ PHE 534 HZ PHE 534 -3.936 1.892 -1.474 839 H SER 535 H SER 535 -5.240 9.567 -3.742 840 HA SER 535 HA SER 535 -7.113 8.617 -1.798 841 HB2 SER 535 HB2 SER 535 -7.676 10.959 -1.471 842 HB3 SER 535 HB3 SER 535 -5.927 10.779 -1.585 843 HG SER 535 HG SER 535 -6.958 11.182 -4.028 844 H SER 536 H SER 536 -7.323 9.211 -5.183 845 HA SER 536 HA SER 536 -10.199 9.579 -5.180 846 HB2 SER 536 HB2 SER 536 -9.967 9.809 -7.594 847 HB3 SER 536 HB3 SER 536 -8.897 10.905 -6.735 848 HG SER 536 HG SER 536 -7.723 9.928 -8.355 849 H ILE 537 H ILE 537 -7.865 7.072 -5.973 850 HA ILE 537 HA ILE 537 -9.898 5.368 -7.151 851 HB ILE 537 HB ILE 537 -6.930 4.955 -6.764 852 HG12 ILE 537 HG12 ILE 537 -8.492 5.239 -9.352 853 HG13 ILE 537 HG13 ILE 537 -7.665 6.568 -8.561 854 HG21 ILE 537 HG21 ILE 537 -7.922 2.779 -6.573 855 HG22 ILE 537 HG22 ILE 537 -7.154 2.907 -8.157 856 HG23 ILE 537 HG23 ILE 537 -8.908 3.048 -8.014 857 HD11 ILE 537 HD11 ILE 537 -5.519 5.399 -8.901 858 HD12 ILE 537 HD12 ILE 537 -6.356 5.737 -10.416 859 HD13 ILE 537 HD13 ILE 537 -6.377 4.107 -9.743 860 H ALA 538 H ALA 538 -8.222 5.665 -4.094 861 HA ALA 538 HA ALA 538 -8.824 2.986 -3.273 862 HB1 ALA 538 HB1 ALA 538 -7.754 3.561 -1.168 863 HB2 ALA 538 HB2 ALA 538 -7.717 5.257 -1.650 864 HB3 ALA 538 HB3 ALA 538 -6.769 4.066 -2.542 865 H ASP 539 H ASP 539 -10.527 5.823 -3.294 866 HA ASP 539 HA ASP 539 -12.431 4.876 -1.272 867 HB2 ASP 539 HB2 ASP 539 -11.541 7.299 -1.272 868 HB3 ASP 539 HB3 ASP 539 -12.566 7.548 -2.683 869 H MET 540 H MET 540 -11.779 4.511 -4.428 870 HA MET 540 HA MET 540 -14.555 4.253 -5.328 871 HB2 MET 540 HB2 MET 540 -11.890 4.189 -6.709 872 HB3 MET 540 HB3 MET 540 -13.320 3.550 -7.500 873 HG2 MET 540 HG2 MET 540 -14.395 5.701 -7.408 874 HG3 MET 540 HG3 MET 540 -13.068 6.366 -6.459 875 HE1 MET 540 HE1 MET 540 -14.337 5.337 -10.027 876 HE2 MET 540 HE2 MET 540 -13.195 4.050 -9.646 877 HE3 MET 540 HE3 MET 540 -12.824 5.206 -10.925 878 H ASP 541 H ASP 541 -11.737 2.376 -4.433 879 HA ASP 541 HA ASP 541 -12.875 -0.129 -5.311 880 HB2 ASP 541 HB2 ASP 541 -10.256 0.699 -4.121 881 HB3 ASP 541 HB3 ASP 541 -10.693 -0.986 -4.276 882 H PHE 542 H PHE 542 -12.749 1.753 -2.410 883 HA PHE 542 HA PHE 542 -12.919 -0.395 -0.525 884 HB2 PHE 542 HB2 PHE 542 -12.133 1.959 -0.050 885 HB3 PHE 542 HB3 PHE 542 -13.815 2.465 -0.127 886 HD1 PHE 542 HD1 PHE 542 -11.483 0.217 1.710 887 HD2 PHE 542 HD2 PHE 542 -15.170 2.347 1.760 888 HE1 PHE 542 HE1 PHE 542 -11.762 -0.326 4.094 889 HE2 PHE 542 HE2 PHE 542 -15.455 1.808 4.141 890 HZ PHE 542 HZ PHE 542 -13.749 0.473 5.314 891 H SER 543 H SER 543 -15.230 1.296 -2.491 892 HA SER 543 HA SER 543 -17.571 0.413 -1.042 893 HB2 SER 543 HB2 SER 543 -18.820 1.443 -2.904 894 HB3 SER 543 HB3 SER 543 -17.603 2.535 -2.258 895 HG SER 543 HG SER 543 -17.890 1.884 -4.740 896 H ALA 544 H ALA 544 -15.652 -0.699 -3.748 897 HA ALA 544 HA ALA 544 -17.549 -2.662 -4.672 898 HB1 ALA 544 HB1 ALA 544 -15.768 -3.387 -6.168 899 HB2 ALA 544 HB2 ALA 544 -14.612 -2.373 -5.304 900 HB3 ALA 544 HB3 ALA 544 -15.936 -1.631 -6.203 901 H LEU 545 H LEU 545 -14.850 -2.577 -2.457 902 HA LEU 545 HA LEU 545 -14.812 -5.426 -1.986 903 HB2 LEU 545 HB2 LEU 545 -13.459 -3.099 -0.629 904 HB3 LEU 545 HB3 LEU 545 -13.205 -4.765 -0.189 905 HG LEU 545 HG LEU 545 -12.582 -3.680 -2.927 906 HD11 LEU 545 HD11 LEU 545 -10.218 -3.779 -2.216 907 HD12 LEU 545 HD12 LEU 545 -10.754 -4.076 -0.564 908 HD13 LEU 545 HD13 LEU 545 -11.143 -2.550 -1.361 909 HD21 LEU 545 HD21 LEU 545 -11.804 -6.249 -1.544 910 HD22 LEU 545 HD22 LEU 545 -11.236 -5.729 -3.129 911 HD23 LEU 545 HD23 LEU 545 -12.946 -6.086 -2.880 912 H LEU 546 H LEU 546 -16.617 -2.757 -0.923 913 HA LEU 546 HA LEU 546 -17.261 -3.715 1.718 914 HB2 LEU 546 HB2 LEU 546 -17.129 -1.308 1.172 915 HB3 LEU 546 HB3 LEU 546 -18.462 -1.492 0.066 916 HG LEU 546 HG LEU 546 -19.973 -1.973 1.917 917 HD11 LEU 546 HD11 LEU 546 -19.201 -1.641 4.242 918 HD12 LEU 546 HD12 LEU 546 -17.543 -1.554 3.643 919 HD13 LEU 546 HD13 LEU 546 -18.468 -3.043 3.463 920 HD21 LEU 546 HD21 LEU 546 -19.707 0.329 1.204 921 HD22 LEU 546 HD22 LEU 546 -18.342 0.531 2.302 922 HD23 LEU 546 HD23 LEU 546 -19.961 0.253 2.946 923 H SER 547 H SER 547 -18.637 -3.879 -1.478 924 HA SER 547 HA SER 547 -21.199 -4.905 -0.702 925 HB2 SER 547 HB2 SER 547 -21.548 -5.292 -3.090 926 HB3 SER 547 HB3 SER 547 -20.866 -3.689 -2.825 927 HG SER 547 HG SER 547 -18.791 -4.664 -3.306 928 H GLN 548 H GLN 548 -18.100 -6.285 -0.982 929 HA GLN 548 HA GLN 548 -18.822 -8.934 -1.759 930 HB2 GLN 548 HB2 GLN 548 -16.336 -7.792 -0.527 931 HB3 GLN 548 HB3 GLN 548 -16.492 -9.489 -0.954 932 HG2 GLN 548 HG2 GLN 548 -16.964 -8.748 -3.294 933 HG3 GLN 548 HG3 GLN 548 -16.554 -7.124 -2.787 934 HE21 GLN 548 HE21 GLN 548 -14.918 -7.274 -4.468 935 HE22 GLN 548 HE22 GLN 548 -13.407 -8.032 -4.112 936 H ILE 549 H ILE 549 -18.831 -7.238 1.172 937 HA ILE 549 HA ILE 549 -18.831 -9.612 2.873 938 HB ILE 549 HB ILE 549 -19.036 -6.673 3.623 939 HG12 ILE 549 HG12 ILE 549 -16.732 -8.593 4.082 940 HG13 ILE 549 HG13 ILE 549 -16.824 -7.521 2.691 941 HG21 ILE 549 HG21 ILE 549 -20.181 -8.070 5.280 942 HG22 ILE 549 HG22 ILE 549 -18.687 -7.412 5.947 943 HG23 ILE 549 HG23 ILE 549 -18.750 -9.093 5.420 944 HD11 ILE 549 HD11 ILE 549 -15.377 -6.616 4.426 945 HD12 ILE 549 HD12 ILE 549 -16.714 -6.656 5.577 946 HD13 ILE 549 HD13 ILE 549 -16.787 -5.584 4.179 947 H SER 550 H SER 550 -21.076 -7.321 1.490 948 HA SER 550 HA SER 550 -23.269 -8.193 3.204 949 HB2 SER 550 HB2 SER 550 -24.581 -6.436 2.063 950 HB3 SER 550 HB3 SER 550 -23.089 -5.800 2.750 951 HG SER 550 HG SER 550 -23.857 -5.440 0.345 952 H SER 551 H SER 551 -22.337 -8.293 -0.220 953 HA SER 551 HA SER 551 -24.397 -10.353 -0.645 954 HB2 SER 551 HB2 SER 551 -24.510 -9.559 -3.035 955 HB3 SER 551 HB3 SER 551 -25.122 -8.403 -1.856 956 HG SER 551 HG SER 551 -23.472 -7.797 -3.644 Start of MODEL 7 1 H1 GLY 586 H1 GLY 586 27.621 -2.638 -7.978 2 H2 GLY 586 H2 GLY 586 28.998 -2.880 -7.026 3 H3 GLY 586 H3 GLY 586 28.101 -1.455 -6.866 4 HA2 GLY 586 HA2 GLY 586 26.207 -2.698 -6.026 5 HA3 GLY 586 HA3 GLY 586 27.134 -4.181 -6.196 6 H VAL 587 H VAL 587 26.118 -1.932 -4.041 7 HA VAL 587 HA VAL 587 28.479 -1.960 -2.325 8 HB VAL 587 HB VAL 587 25.776 -0.676 -1.818 9 HG11 VAL 587 HG11 VAL 587 26.977 0.639 -0.097 10 HG12 VAL 587 HG12 VAL 587 28.403 -0.365 -0.364 11 HG13 VAL 587 HG13 VAL 587 26.922 -1.086 0.268 12 HG21 VAL 587 HG21 VAL 587 28.342 0.571 -2.807 13 HG22 VAL 587 HG22 VAL 587 26.892 1.458 -2.341 14 HG23 VAL 587 HG23 VAL 587 26.851 0.370 -3.728 15 H ARG 588 H ARG 588 28.599 -3.005 -0.346 16 HA ARG 588 HA ARG 588 26.829 -5.313 -0.088 17 HB2 ARG 588 HB2 ARG 588 29.262 -5.709 -0.127 18 HB3 ARG 588 HB3 ARG 588 29.445 -4.714 1.309 19 HG2 ARG 588 HG2 ARG 588 28.084 -6.310 2.581 20 HG3 ARG 588 HG3 ARG 588 27.926 -7.314 1.138 21 HD2 ARG 588 HD2 ARG 588 30.408 -7.525 1.093 22 HD3 ARG 588 HD3 ARG 588 30.470 -6.653 2.623 23 HE ARG 588 HE ARG 588 29.703 -8.541 3.715 24 HH11 ARG 588 HH11 ARG 588 29.514 -9.085 0.247 25 HH12 ARG 588 HH12 ARG 588 29.222 -10.784 0.415 26 HH21 ARG 588 HH21 ARG 588 29.321 -10.768 3.906 27 HH22 ARG 588 HH22 ARG 588 29.112 -11.733 2.483 28 H LYS 589 H LYS 589 25.285 -5.419 1.353 29 HA LYS 589 HA LYS 589 25.425 -3.861 3.833 30 HB2 LYS 589 HB2 LYS 589 23.036 -3.866 1.977 31 HB3 LYS 589 HB3 LYS 589 23.114 -3.085 3.544 32 HG2 LYS 589 HG2 LYS 589 24.990 -2.334 1.325 33 HG3 LYS 589 HG3 LYS 589 23.382 -1.632 1.454 34 HD2 LYS 589 HD2 LYS 589 24.027 -0.963 3.820 35 HD3 LYS 589 HD3 LYS 589 25.679 -1.402 3.390 36 HE2 LYS 589 HE2 LYS 589 25.580 0.211 1.516 37 HE3 LYS 589 HE3 LYS 589 23.963 0.680 2.031 38 HZ1 LYS 589 HZ1 LYS 589 24.905 1.411 4.147 39 HZ2 LYS 589 HZ2 LYS 589 25.613 2.231 2.847 40 HZ3 LYS 589 HZ3 LYS 589 26.456 0.986 3.621 41 H GLY 590 H GLY 590 23.958 -4.569 5.485 42 HA2 GLY 590 HA2 GLY 590 23.797 -7.446 5.582 43 HA3 GLY 590 HA3 GLY 590 23.426 -6.333 6.884 44 H TRP 591 H TRP 591 21.543 -4.928 4.861 45 HA TRP 591 HA TRP 591 19.191 -6.498 5.531 46 HB2 TRP 591 HB2 TRP 591 17.910 -4.601 4.801 47 HB3 TRP 591 HB3 TRP 591 19.247 -4.008 5.770 48 HD1 TRP 591 HD1 TRP 591 21.429 -3.076 4.148 49 HE1 TRP 591 HE1 TRP 591 21.267 -1.599 2.040 50 HE3 TRP 591 HE3 TRP 591 16.532 -3.929 2.917 51 HZ2 TRP 591 HZ2 TRP 591 19.317 -0.880 0.127 52 HZ3 TRP 591 HZ3 TRP 591 15.599 -2.803 0.940 53 HH2 TRP 591 HH2 TRP 591 16.966 -1.310 -0.425 54 H HIS 592 H HIS 592 21.044 -5.651 2.689 55 HA HIS 592 HA HIS 592 19.237 -6.421 0.675 56 HB2 HIS 592 HB2 HIS 592 21.108 -4.997 0.158 57 HB3 HIS 592 HB3 HIS 592 22.257 -6.201 0.721 58 HD1 HIS 592 HD1 HIS 592 21.796 -4.791 -2.244 59 HD2 HIS 592 HD2 HIS 592 21.177 -8.737 -1.095 60 HE1 HIS 592 HE1 HIS 592 21.921 -6.137 -4.364 61 HE2 HIS 592 HE2 HIS 592 21.477 -8.512 -3.654 62 H GLU 593 H GLU 593 21.720 -8.284 2.407 63 HA GLU 593 HA GLU 593 21.175 -10.686 0.862 64 HB2 GLU 593 HB2 GLU 593 23.057 -10.154 3.153 65 HB3 GLU 593 HB3 GLU 593 22.896 -11.718 2.367 66 HG2 GLU 593 HG2 GLU 593 23.612 -10.731 0.255 67 HG3 GLU 593 HG3 GLU 593 23.749 -9.159 1.038 68 H HIS 594 H HIS 594 19.829 -9.171 3.501 69 HA HIS 594 HA HIS 594 18.976 -11.616 4.859 70 HB2 HIS 594 HB2 HIS 594 19.192 -8.732 5.572 71 HB3 HIS 594 HB3 HIS 594 17.897 -9.631 6.335 72 HD1 HIS 594 HD1 HIS 594 21.537 -10.627 5.751 73 HD2 HIS 594 HD2 HIS 594 18.770 -10.121 8.813 74 HE1 HIS 594 HE1 HIS 594 22.729 -11.335 7.852 75 HE2 HIS 594 HE2 HIS 594 21.010 -11.103 9.681 76 H VAL 595 H VAL 595 17.761 -9.142 2.714 77 HA VAL 595 HA VAL 595 14.987 -9.704 3.283 78 HB VAL 595 HB VAL 595 16.339 -7.849 1.312 79 HG11 VAL 595 HG11 VAL 595 13.349 -8.267 1.511 80 HG12 VAL 595 HG12 VAL 595 14.355 -8.748 0.147 81 HG13 VAL 595 HG13 VAL 595 14.168 -7.040 0.547 82 HG21 VAL 595 HG21 VAL 595 15.194 -6.121 2.582 83 HG22 VAL 595 HG22 VAL 595 16.156 -7.140 3.654 84 HG23 VAL 595 HG23 VAL 595 14.401 -7.351 3.570 85 H THR 596 H THR 596 13.607 -10.943 2.133 86 HA THR 596 HA THR 596 14.751 -12.648 0.021 87 HB THR 596 HB THR 596 12.931 -14.250 0.572 88 HG1 THR 596 HG1 THR 596 12.426 -12.623 2.849 89 HG21 THR 596 HG21 THR 596 14.625 -13.463 2.938 90 HG22 THR 596 HG22 THR 596 15.111 -14.530 1.622 91 HG23 THR 596 HG23 THR 596 13.816 -15.013 2.717 92 H GLN 597 H GLN 597 12.894 -13.605 -1.420 93 HA GLN 597 HA GLN 597 11.349 -11.496 -2.626 94 HB2 GLN 597 HB2 GLN 597 11.381 -14.487 -3.119 95 HB3 GLN 597 HB3 GLN 597 10.420 -13.347 -4.046 96 HG2 GLN 597 HG2 GLN 597 12.460 -12.238 -4.810 97 HG3 GLN 597 HG3 GLN 597 13.421 -13.374 -3.880 98 HE21 GLN 597 HE21 GLN 597 10.774 -14.974 -5.171 99 HE22 GLN 597 HE22 GLN 597 11.520 -15.622 -6.587 100 H ASP 598 H ASP 598 10.927 -13.710 -0.060 101 HA ASP 598 HA ASP 598 8.032 -13.816 -0.166 102 HB2 ASP 598 HB2 ASP 598 10.076 -14.840 1.819 103 HB3 ASP 598 HB3 ASP 598 8.344 -15.003 2.071 104 H LEU 599 H LEU 599 10.493 -11.861 1.430 105 HA LEU 599 HA LEU 599 8.809 -10.639 3.354 106 HB2 LEU 599 HB2 LEU 599 11.217 -10.413 3.526 107 HB3 LEU 599 HB3 LEU 599 11.298 -9.567 2.000 108 HG LEU 599 HG LEU 599 9.945 -7.701 3.121 109 HD11 LEU 599 HD11 LEU 599 10.868 -9.057 5.636 110 HD12 LEU 599 HD12 LEU 599 9.254 -9.271 4.977 111 HD13 LEU 599 HD13 LEU 599 9.787 -7.668 5.472 112 HD21 LEU 599 HD21 LEU 599 12.361 -7.442 2.783 113 HD22 LEU 599 HD22 LEU 599 12.665 -8.346 4.264 114 HD23 LEU 599 HD23 LEU 599 11.866 -6.778 4.337 115 H ARG 600 H ARG 600 9.707 -9.626 0.056 116 HA ARG 600 HA ARG 600 8.443 -7.140 0.018 117 HB2 ARG 600 HB2 ARG 600 8.913 -9.067 -2.272 118 HB3 ARG 600 HB3 ARG 600 8.443 -7.387 -2.474 119 HG2 ARG 600 HG2 ARG 600 10.507 -6.608 -1.615 120 HG3 ARG 600 HG3 ARG 600 10.931 -8.217 -1.023 121 HD2 ARG 600 HD2 ARG 600 12.182 -7.667 -3.050 122 HD3 ARG 600 HD3 ARG 600 11.098 -9.028 -3.322 123 HE ARG 600 HE ARG 600 9.839 -6.605 -4.069 124 HH11 ARG 600 HH11 ARG 600 12.313 -8.828 -5.202 125 HH12 ARG 600 HH12 ARG 600 12.073 -8.425 -6.868 126 HH21 ARG 600 HH21 ARG 600 9.541 -6.097 -6.257 127 HH22 ARG 600 HH22 ARG 600 10.505 -6.880 -7.465 128 H SER 601 H SER 601 7.131 -10.324 -0.514 129 HA SER 601 HA SER 601 4.554 -9.443 -1.461 130 HB2 SER 601 HB2 SER 601 3.930 -11.799 -1.325 131 HB3 SER 601 HB3 SER 601 5.544 -11.672 -2.017 132 HG SER 601 HG SER 601 5.738 -11.857 0.645 133 H HIS 602 H HIS 602 5.997 -10.134 1.651 134 HA HIS 602 HA HIS 602 3.498 -10.077 3.116 135 HB2 HIS 602 HB2 HIS 602 6.396 -10.192 3.980 136 HB3 HIS 602 HB3 HIS 602 5.059 -10.147 5.118 137 HD1 HIS 602 HD1 HIS 602 6.729 -12.527 5.438 138 HD2 HIS 602 HD2 HIS 602 3.683 -12.415 2.614 139 HE1 HIS 602 HE1 HIS 602 6.153 -14.930 4.977 140 HE2 HIS 602 HE2 HIS 602 4.243 -14.835 3.336 141 H LEU 603 H LEU 603 5.888 -7.848 2.053 142 HA LEU 603 HA LEU 603 5.235 -5.660 3.828 143 HB2 LEU 603 HB2 LEU 603 6.800 -5.906 1.255 144 HB3 LEU 603 HB3 LEU 603 6.488 -4.369 2.001 145 HG LEU 603 HG LEU 603 8.107 -6.588 3.264 146 HD11 LEU 603 HD11 LEU 603 8.970 -4.080 1.880 147 HD12 LEU 603 HD12 LEU 603 9.312 -5.748 1.408 148 HD13 LEU 603 HD13 LEU 603 10.021 -5.083 2.886 149 HD21 LEU 603 HD21 LEU 603 7.649 -3.765 4.160 150 HD22 LEU 603 HD22 LEU 603 8.925 -4.809 4.777 151 HD23 LEU 603 HD23 LEU 603 7.234 -5.250 5.016 152 H VAL 604 H VAL 604 4.391 -6.709 0.571 153 HA VAL 604 HA VAL 604 2.511 -4.662 -0.043 154 HB VAL 604 HB VAL 604 3.050 -7.422 -1.174 155 HG11 VAL 604 HG11 VAL 604 0.880 -5.521 -1.913 156 HG12 VAL 604 HG12 VAL 604 0.856 -7.281 -1.841 157 HG13 VAL 604 HG13 VAL 604 1.675 -6.460 -3.171 158 HG21 VAL 604 HG21 VAL 604 3.492 -4.672 -2.323 159 HG22 VAL 604 HG22 VAL 604 3.955 -6.216 -3.059 160 HG23 VAL 604 HG23 VAL 604 4.732 -5.682 -1.564 161 H HIS 605 H HIS 605 2.283 -7.882 1.454 162 HA HIS 605 HA HIS 605 -0.563 -7.869 1.739 163 HB2 HIS 605 HB2 HIS 605 0.758 -9.962 1.747 164 HB3 HIS 605 HB3 HIS 605 1.511 -9.471 3.259 165 HD1 HIS 605 HD1 HIS 605 -2.022 -10.117 1.982 166 HD2 HIS 605 HD2 HIS 605 0.267 -10.511 5.429 167 HE1 HIS 605 HE1 HIS 605 -3.527 -11.222 3.665 168 HE2 HIS 605 HE2 HIS 605 -2.103 -11.506 5.724 169 H LYS 606 H LYS 606 1.996 -6.333 3.366 170 HA LYS 606 HA LYS 606 0.575 -5.799 5.850 171 HB2 LYS 606 HB2 LYS 606 3.051 -6.060 5.753 172 HB3 LYS 606 HB3 LYS 606 3.138 -4.653 4.705 173 HG2 LYS 606 HG2 LYS 606 2.374 -3.223 6.490 174 HG3 LYS 606 HG3 LYS 606 2.151 -4.621 7.550 175 HD2 LYS 606 HD2 LYS 606 4.570 -5.117 7.327 176 HD3 LYS 606 HD3 LYS 606 4.749 -3.643 6.382 177 HE2 LYS 606 HE2 LYS 606 3.923 -2.339 8.291 178 HE3 LYS 606 HE3 LYS 606 3.807 -3.826 9.216 179 HZ1 LYS 606 HZ1 LYS 606 5.841 -2.621 9.715 180 HZ2 LYS 606 HZ2 LYS 606 6.310 -2.710 8.092 181 HZ3 LYS 606 HZ3 LYS 606 6.185 -4.123 9.012 182 H LEU 607 H LEU 607 0.953 -4.545 2.714 183 HA LEU 607 HA LEU 607 0.166 -1.816 3.252 184 HB2 LEU 607 HB2 LEU 607 1.880 -2.512 1.609 185 HB3 LEU 607 HB3 LEU 607 0.628 -3.274 0.652 186 HG LEU 607 HG LEU 607 -0.260 -1.224 -0.054 187 HD11 LEU 607 HD11 LEU 607 0.045 0.859 1.055 188 HD12 LEU 607 HD12 LEU 607 1.274 0.174 2.114 189 HD13 LEU 607 HD13 LEU 607 -0.407 -0.337 2.273 190 HD21 LEU 607 HD21 LEU 607 1.601 0.163 -0.807 191 HD22 LEU 607 HD22 LEU 607 1.989 -1.549 -1.008 192 HD23 LEU 607 HD23 LEU 607 2.678 -0.636 0.337 193 H VAL 608 H VAL 608 -1.161 -4.680 1.624 194 HA VAL 608 HA VAL 608 -3.577 -3.471 0.704 195 HB VAL 608 HB VAL 608 -4.280 -5.788 0.162 196 HG11 VAL 608 HG11 VAL 608 -2.451 -6.402 -1.367 197 HG12 VAL 608 HG12 VAL 608 -1.402 -5.236 -0.561 198 HG13 VAL 608 HG13 VAL 608 -2.828 -4.680 -1.437 199 HG21 VAL 608 HG21 VAL 608 -1.731 -6.653 1.538 200 HG22 VAL 608 HG22 VAL 608 -2.842 -7.697 0.652 201 HG23 VAL 608 HG23 VAL 608 -3.367 -6.915 2.143 202 H GLN 609 H GLN 609 -2.678 -4.981 3.752 203 HA GLN 609 HA GLN 609 -5.381 -5.318 4.693 204 HB2 GLN 609 HB2 GLN 609 -2.710 -5.480 6.099 205 HB3 GLN 609 HB3 GLN 609 -4.245 -5.828 6.856 206 HG2 GLN 609 HG2 GLN 609 -3.032 -7.293 4.552 207 HG3 GLN 609 HG3 GLN 609 -3.096 -7.865 6.215 208 HE21 GLN 609 HE21 GLN 609 -4.309 -8.542 3.391 209 HE22 GLN 609 HE22 GLN 609 -5.928 -8.994 3.784 210 H ALA 610 H ALA 610 -2.724 -3.063 5.116 211 HA ALA 610 HA ALA 610 -3.918 -1.342 7.021 212 HB1 ALA 610 HB1 ALA 610 -1.834 -0.813 4.915 213 HB2 ALA 610 HB2 ALA 610 -1.562 -1.229 6.609 214 HB3 ALA 610 HB3 ALA 610 -2.277 0.329 6.185 215 H ILE 611 H ILE 611 -4.197 -1.545 3.526 216 HA ILE 611 HA ILE 611 -5.765 0.884 3.306 217 HB ILE 611 HB ILE 611 -5.124 -1.236 1.219 218 HG12 ILE 611 HG12 ILE 611 -4.058 1.572 1.488 219 HG13 ILE 611 HG13 ILE 611 -3.222 0.168 2.102 220 HG21 ILE 611 HG21 ILE 611 -5.946 0.372 -0.438 221 HG22 ILE 611 HG22 ILE 611 -6.403 1.475 0.858 222 HG23 ILE 611 HG23 ILE 611 -7.228 -0.073 0.691 223 HD11 ILE 611 HD11 ILE 611 -2.280 0.876 -0.015 224 HD12 ILE 611 HD12 ILE 611 -3.859 0.734 -0.784 225 HD13 ILE 611 HD13 ILE 611 -3.037 -0.707 -0.185 226 H PHE 612 H PHE 612 -6.353 -2.629 2.868 227 HA PHE 612 HA PHE 612 -9.020 -2.254 3.993 228 HB2 PHE 612 HB2 PHE 612 -9.917 -3.879 2.254 229 HB3 PHE 612 HB3 PHE 612 -9.536 -2.267 1.667 230 HD1 PHE 612 HD1 PHE 612 -8.419 -5.784 1.725 231 HD2 PHE 612 HD2 PHE 612 -7.870 -1.929 0.023 232 HE1 PHE 612 HE1 PHE 612 -6.995 -6.770 -0.022 233 HE2 PHE 612 HE2 PHE 612 -6.438 -2.905 -1.734 234 HZ PHE 612 HZ PHE 612 -6.019 -5.368 -1.750 235 HA PRO 613 HA PRO 613 -7.296 -5.960 6.111 236 HB2 PRO 613 HB2 PRO 613 -8.817 -5.825 8.338 237 HB3 PRO 613 HB3 PRO 613 -7.369 -4.843 8.136 238 HG2 PRO 613 HG2 PRO 613 -10.168 -4.058 7.836 239 HG3 PRO 613 HG3 PRO 613 -8.938 -3.214 8.502 240 HD2 PRO 613 HD2 PRO 613 -9.725 -2.772 5.960 241 HD3 PRO 613 HD3 PRO 613 -8.196 -2.458 6.442 242 H THR 614 H THR 614 -8.046 -8.031 6.034 243 HA THR 614 HA THR 614 -10.848 -8.619 6.073 244 HB THR 614 HB THR 614 -9.330 -9.339 3.577 245 HG1 THR 614 HG1 THR 614 -11.549 -7.586 3.739 246 HG21 THR 614 HG21 THR 614 -11.473 -10.150 2.729 247 HG22 THR 614 HG22 THR 614 -12.237 -9.750 4.268 248 HG23 THR 614 HG23 THR 614 -11.011 -11.013 4.197 249 HA PRO 615 HA PRO 615 -9.407 -12.304 8.272 250 HB2 PRO 615 HB2 PRO 615 -11.985 -13.229 7.098 251 HB3 PRO 615 HB3 PRO 615 -11.357 -13.467 8.721 252 HG2 PRO 615 HG2 PRO 615 -13.124 -11.618 8.305 253 HG3 PRO 615 HG3 PRO 615 -11.864 -11.290 9.292 254 HD2 PRO 615 HD2 PRO 615 -12.295 -10.346 6.635 255 HD3 PRO 615 HD3 PRO 615 -11.557 -9.569 7.867 256 H ASP 616 H ASP 616 -11.186 -12.976 5.260 257 HA ASP 616 HA ASP 616 -9.421 -15.207 4.644 258 HB2 ASP 616 HB2 ASP 616 -11.956 -15.302 4.421 259 HB3 ASP 616 HB3 ASP 616 -11.777 -14.272 3.005 260 HA PRO 617 HA PRO 617 -6.913 -12.615 1.840 261 HB2 PRO 617 HB2 PRO 617 -5.272 -14.625 1.028 262 HB3 PRO 617 HB3 PRO 617 -5.060 -13.771 2.559 263 HG2 PRO 617 HG2 PRO 617 -6.426 -16.338 2.104 264 HG3 PRO 617 HG3 PRO 617 -5.267 -16.002 3.206 265 HD2 PRO 617 HD2 PRO 617 -7.744 -15.907 4.016 266 HD3 PRO 617 HD3 PRO 617 -6.751 -14.712 4.518 267 H ALA 618 H ALA 618 -9.009 -15.223 1.149 268 HA ALA 618 HA ALA 618 -8.419 -15.565 -1.635 269 HB1 ALA 618 HB1 ALA 618 -10.393 -16.989 -1.671 270 HB2 ALA 618 HB2 ALA 618 -10.845 -16.420 -0.064 271 HB3 ALA 618 HB3 ALA 618 -9.371 -17.364 -0.283 272 H ALA 619 H ALA 619 -10.090 -13.156 0.050 273 HA ALA 619 HA ALA 619 -12.008 -12.510 -2.027 274 HB1 ALA 619 HB1 ALA 619 -12.666 -10.682 -0.602 275 HB2 ALA 619 HB2 ALA 619 -11.236 -10.906 0.403 276 HB3 ALA 619 HB3 ALA 619 -12.495 -12.143 0.374 277 H LEU 620 H LEU 620 -8.730 -11.873 -1.448 278 HA LEU 620 HA LEU 620 -8.654 -9.236 -2.609 279 HB2 LEU 620 HB2 LEU 620 -6.399 -11.067 -1.781 280 HB3 LEU 620 HB3 LEU 620 -6.246 -9.380 -2.194 281 HG LEU 620 HG LEU 620 -7.157 -10.633 0.328 282 HD11 LEU 620 HD11 LEU 620 -6.040 -8.660 1.268 283 HD12 LEU 620 HD12 LEU 620 -5.765 -8.050 -0.363 284 HD13 LEU 620 HD13 LEU 620 -4.996 -9.549 0.160 285 HD21 LEU 620 HD21 LEU 620 -9.223 -9.533 -0.272 286 HD22 LEU 620 HD22 LEU 620 -8.357 -8.058 -0.696 287 HD23 LEU 620 HD23 LEU 620 -8.415 -8.594 0.982 288 H LYS 621 H LYS 621 -9.146 -12.077 -4.025 289 HA LYS 621 HA LYS 621 -7.151 -11.868 -6.167 290 HB2 LYS 621 HB2 LYS 621 -9.110 -14.048 -5.434 291 HB3 LYS 621 HB3 LYS 621 -8.136 -14.091 -6.892 292 HG2 LYS 621 HG2 LYS 621 -6.096 -14.109 -5.518 293 HG3 LYS 621 HG3 LYS 621 -7.083 -14.069 -4.064 294 HD2 LYS 621 HD2 LYS 621 -8.031 -16.230 -4.626 295 HD3 LYS 621 HD3 LYS 621 -7.122 -16.271 -6.137 296 HE2 LYS 621 HE2 LYS 621 -5.066 -16.300 -4.919 297 HE3 LYS 621 HE3 LYS 621 -5.909 -16.136 -3.383 298 HZ1 LYS 621 HZ1 LYS 621 -6.102 -18.453 -5.240 299 HZ2 LYS 621 HZ2 LYS 621 -6.934 -18.299 -3.775 300 HZ3 LYS 621 HZ3 LYS 621 -5.247 -18.425 -3.779 301 H ASP 622 H ASP 622 -9.666 -10.184 -5.688 302 HA ASP 622 HA ASP 622 -11.507 -10.850 -7.783 303 HB2 ASP 622 HB2 ASP 622 -11.928 -9.688 -5.501 304 HB3 ASP 622 HB3 ASP 622 -11.418 -8.219 -6.328 305 H ARG 623 H ARG 623 -12.186 -9.111 -9.402 306 HA ARG 623 HA ARG 623 -9.954 -8.613 -11.106 307 HB2 ARG 623 HB2 ARG 623 -12.872 -7.846 -11.355 308 HB3 ARG 623 HB3 ARG 623 -11.689 -7.656 -12.636 309 HG2 ARG 623 HG2 ARG 623 -12.265 -10.341 -11.413 310 HG3 ARG 623 HG3 ARG 623 -13.264 -9.672 -12.703 311 HD2 ARG 623 HD2 ARG 623 -11.734 -10.969 -13.863 312 HD3 ARG 623 HD3 ARG 623 -11.016 -9.363 -13.959 313 HE ARG 623 HE ARG 623 -10.137 -11.251 -11.883 314 HH11 ARG 623 HH11 ARG 623 -9.376 -9.324 -14.722 315 HH12 ARG 623 HH12 ARG 623 -7.666 -9.561 -14.566 316 HH21 ARG 623 HH21 ARG 623 -7.894 -11.545 -11.700 317 HH22 ARG 623 HH22 ARG 623 -6.830 -10.817 -12.858 318 H ARG 624 H ARG 624 -12.299 -6.387 -9.575 319 HA ARG 624 HA ARG 624 -10.976 -4.014 -10.418 320 HB2 ARG 624 HB2 ARG 624 -13.132 -4.524 -8.365 321 HB3 ARG 624 HB3 ARG 624 -12.567 -2.914 -8.781 322 HG2 ARG 624 HG2 ARG 624 -13.301 -3.239 -11.088 323 HG3 ARG 624 HG3 ARG 624 -13.843 -4.870 -10.692 324 HD2 ARG 624 HD2 ARG 624 -15.748 -3.411 -10.694 325 HD3 ARG 624 HD3 ARG 624 -15.410 -3.890 -9.033 326 HE ARG 624 HE ARG 624 -14.153 -1.418 -9.691 327 HH11 ARG 624 HH11 ARG 624 -17.260 -2.777 -8.772 328 HH12 ARG 624 HH12 ARG 624 -17.833 -1.294 -8.084 329 HH21 ARG 624 HH21 ARG 624 -14.924 0.510 -8.786 330 HH22 ARG 624 HH22 ARG 624 -16.511 0.564 -8.094 331 H MET 625 H MET 625 -10.467 -6.125 -7.742 332 HA MET 625 HA MET 625 -9.185 -4.207 -6.010 333 HB2 MET 625 HB2 MET 625 -10.349 -6.221 -5.143 334 HB3 MET 625 HB3 MET 625 -9.152 -7.230 -5.942 335 HG2 MET 625 HG2 MET 625 -7.752 -7.059 -4.224 336 HG3 MET 625 HG3 MET 625 -7.864 -5.305 -4.224 337 HE1 MET 625 HE1 MET 625 -10.269 -4.257 -3.527 338 HE2 MET 625 HE2 MET 625 -9.145 -3.964 -2.197 339 HE3 MET 625 HE3 MET 625 -10.787 -4.538 -1.862 340 H GLU 626 H GLU 626 -8.150 -6.624 -8.360 341 HA GLU 626 HA GLU 626 -5.448 -6.737 -7.867 342 HB2 GLU 626 HB2 GLU 626 -6.716 -8.174 -9.457 343 HB3 GLU 626 HB3 GLU 626 -6.652 -6.855 -10.620 344 HG2 GLU 626 HG2 GLU 626 -4.220 -6.948 -10.624 345 HG3 GLU 626 HG3 GLU 626 -4.259 -8.238 -9.419 346 H ASN 627 H ASN 627 -7.164 -4.062 -9.208 347 HA ASN 627 HA ASN 627 -4.952 -2.779 -10.492 348 HB2 ASN 627 HB2 ASN 627 -7.626 -1.735 -9.549 349 HB3 ASN 627 HB3 ASN 627 -6.442 -0.734 -10.381 350 HD21 ASN 627 HD21 ASN 627 -9.063 -1.277 -11.283 351 HD22 ASN 627 HD22 ASN 627 -8.945 -2.145 -12.772 352 H LEU 628 H LEU 628 -6.257 -2.753 -7.229 353 HA LEU 628 HA LEU 628 -4.420 -0.692 -6.353 354 HB2 LEU 628 HB2 LEU 628 -6.753 -0.795 -5.498 355 HB3 LEU 628 HB3 LEU 628 -6.399 -2.325 -4.747 356 HG LEU 628 HG LEU 628 -5.013 -1.269 -3.078 357 HD11 LEU 628 HD11 LEU 628 -4.714 1.126 -2.915 358 HD12 LEU 628 HD12 LEU 628 -5.486 1.353 -4.495 359 HD13 LEU 628 HD13 LEU 628 -3.939 0.499 -4.373 360 HD21 LEU 628 HD21 LEU 628 -6.654 0.276 -2.057 361 HD22 LEU 628 HD22 LEU 628 -7.346 -1.261 -2.596 362 HD23 LEU 628 HD23 LEU 628 -7.582 0.202 -3.557 363 H VAL 629 H VAL 629 -4.745 -4.195 -6.150 364 HA VAL 629 HA VAL 629 -2.528 -4.841 -4.547 365 HB VAL 629 HB VAL 629 -3.626 -6.289 -6.977 366 HG11 VAL 629 HG11 VAL 629 -2.609 -8.332 -6.131 367 HG12 VAL 629 HG12 VAL 629 -1.844 -7.420 -4.824 368 HG13 VAL 629 HG13 VAL 629 -1.388 -7.111 -6.505 369 HG21 VAL 629 HG21 VAL 629 -4.845 -7.672 -5.370 370 HG22 VAL 629 HG22 VAL 629 -5.283 -5.971 -5.222 371 HG23 VAL 629 HG23 VAL 629 -4.193 -6.703 -4.049 372 H ALA 630 H ALA 630 -2.777 -3.872 -7.914 373 HA ALA 630 HA ALA 630 -0.013 -4.338 -8.550 374 HB1 ALA 630 HB1 ALA 630 -2.194 -2.926 -10.075 375 HB2 ALA 630 HB2 ALA 630 -1.737 -4.626 -10.223 376 HB3 ALA 630 HB3 ALA 630 -0.609 -3.360 -10.720 377 H TYR 631 H TYR 631 -1.876 -1.718 -7.263 378 HA TYR 631 HA TYR 631 0.037 0.355 -7.700 379 HB2 TYR 631 HB2 TYR 631 -2.570 0.285 -6.777 380 HB3 TYR 631 HB3 TYR 631 -1.678 0.586 -5.301 381 HD1 TYR 631 HD1 TYR 631 0.477 2.379 -6.223 382 HD2 TYR 631 HD2 TYR 631 -3.658 2.307 -7.272 383 HE1 TYR 631 HE1 TYR 631 0.582 4.761 -6.823 384 HE2 TYR 631 HE2 TYR 631 -3.551 4.687 -7.866 385 HH TYR 631 HH TYR 631 -2.184 6.653 -7.358 386 H ALA 632 H ALA 632 -0.522 -2.009 -5.123 387 HA ALA 632 HA ALA 632 1.565 -0.914 -3.449 388 HB1 ALA 632 HB1 ALA 632 -0.236 -3.294 -3.149 389 HB2 ALA 632 HB2 ALA 632 -0.309 -1.757 -2.284 390 HB3 ALA 632 HB3 ALA 632 1.029 -2.880 -1.991 391 H LYS 633 H LYS 633 1.220 -3.456 -5.797 392 HA LYS 633 HA LYS 633 3.618 -4.888 -5.193 393 HB2 LYS 633 HB2 LYS 633 1.678 -4.783 -7.472 394 HB3 LYS 633 HB3 LYS 633 3.240 -5.537 -7.740 395 HG2 LYS 633 HG2 LYS 633 2.800 -7.132 -5.943 396 HG3 LYS 633 HG3 LYS 633 1.246 -6.360 -5.638 397 HD2 LYS 633 HD2 LYS 633 0.330 -7.118 -7.648 398 HD3 LYS 633 HD3 LYS 633 1.912 -7.430 -8.347 399 HE2 LYS 633 HE2 LYS 633 2.168 -9.431 -7.207 400 HE3 LYS 633 HE3 LYS 633 1.045 -8.958 -5.934 401 HZ1 LYS 633 HZ1 LYS 633 0.106 -10.666 -7.365 402 HZ2 LYS 633 HZ2 LYS 633 0.286 -9.665 -8.718 403 HZ3 LYS 633 HZ3 LYS 633 -0.784 -9.230 -7.482 404 H LYS 634 H LYS 634 2.872 -1.966 -6.832 405 HA LYS 634 HA LYS 634 5.273 -1.835 -8.448 406 HB2 LYS 634 HB2 LYS 634 3.112 -0.964 -9.271 407 HB3 LYS 634 HB3 LYS 634 3.082 0.198 -7.958 408 HG2 LYS 634 HG2 LYS 634 5.077 1.289 -8.874 409 HG3 LYS 634 HG3 LYS 634 5.108 0.121 -10.197 410 HD2 LYS 634 HD2 LYS 634 2.832 0.923 -10.859 411 HD3 LYS 634 HD3 LYS 634 2.960 2.170 -9.620 412 HE2 LYS 634 HE2 LYS 634 4.802 1.838 -11.995 413 HE3 LYS 634 HE3 LYS 634 3.522 3.041 -11.841 414 HZ1 LYS 634 HZ1 LYS 634 5.679 3.979 -11.313 415 HZ2 LYS 634 HZ2 LYS 634 5.914 2.830 -10.095 416 HZ3 LYS 634 HZ3 LYS 634 4.687 3.982 -9.943 417 H VAL 635 H VAL 635 4.074 -0.481 -5.410 418 HA VAL 635 HA VAL 635 6.046 1.587 -5.263 419 HB VAL 635 HB VAL 635 4.067 0.580 -3.227 420 HG11 VAL 635 HG11 VAL 635 6.173 2.687 -2.867 421 HG12 VAL 635 HG12 VAL 635 5.892 1.238 -1.896 422 HG13 VAL 635 HG13 VAL 635 4.729 2.568 -1.856 423 HG21 VAL 635 HG21 VAL 635 2.925 1.893 -4.799 424 HG22 VAL 635 HG22 VAL 635 4.235 3.064 -4.908 425 HG23 VAL 635 HG23 VAL 635 3.236 2.993 -3.455 426 H GLU 636 H GLU 636 5.729 -1.606 -3.777 427 HA GLU 636 HA GLU 636 7.724 -1.499 -1.829 428 HB2 GLU 636 HB2 GLU 636 7.719 -3.960 -1.969 429 HB3 GLU 636 HB3 GLU 636 6.091 -3.308 -1.983 430 HG2 GLU 636 HG2 GLU 636 5.864 -4.860 -3.616 431 HG3 GLU 636 HG3 GLU 636 6.417 -3.514 -4.600 432 H GLY 637 H GLY 637 8.013 -2.058 -5.303 433 HA2 GLY 637 HA2 GLY 637 10.747 -2.945 -5.249 434 HA3 GLY 637 HA3 GLY 637 9.826 -2.490 -6.671 435 H ASP 638 H ASP 638 9.229 0.143 -5.190 436 HA ASP 638 HA ASP 638 11.513 1.598 -6.221 437 HB2 ASP 638 HB2 ASP 638 8.824 2.401 -5.111 438 HB3 ASP 638 HB3 ASP 638 10.076 3.597 -5.424 439 H MET 639 H MET 639 10.421 0.425 -3.163 440 HA MET 639 HA MET 639 11.822 2.294 -1.500 441 HB2 MET 639 HB2 MET 639 10.775 -0.473 -0.843 442 HB3 MET 639 HB3 MET 639 11.379 0.700 0.332 443 HG2 MET 639 HG2 MET 639 9.580 2.245 -0.497 444 HG3 MET 639 HG3 MET 639 8.933 0.885 -1.386 445 HE1 MET 639 HE1 MET 639 10.185 -1.143 1.147 446 HE2 MET 639 HE2 MET 639 8.891 -1.547 0.019 447 HE3 MET 639 HE3 MET 639 8.594 -1.611 1.757 448 H TYR 640 H TYR 640 12.767 -0.476 -3.290 449 HA TYR 640 HA TYR 640 15.026 -1.240 -1.672 450 HB2 TYR 640 HB2 TYR 640 13.638 -2.758 -3.186 451 HB3 TYR 640 HB3 TYR 640 14.476 -2.010 -4.546 452 HD1 TYR 640 HD1 TYR 640 15.009 -4.001 -1.457 453 HD2 TYR 640 HD2 TYR 640 16.604 -2.802 -5.217 454 HE1 TYR 640 HE1 TYR 640 16.802 -5.661 -1.216 455 HE2 TYR 640 HE2 TYR 640 18.406 -4.462 -4.983 456 HH TYR 640 HH TYR 640 18.341 -6.923 -2.638 457 H GLU 641 H GLU 641 14.454 0.802 -4.468 458 HA GLU 641 HA GLU 641 17.287 1.219 -4.980 459 HB2 GLU 641 HB2 GLU 641 14.827 2.368 -6.313 460 HB3 GLU 641 HB3 GLU 641 16.471 2.714 -6.806 461 HG2 GLU 641 HG2 GLU 641 15.141 0.037 -6.868 462 HG3 GLU 641 HG3 GLU 641 15.465 1.063 -8.255 463 H SER 642 H SER 642 14.699 2.792 -3.279 464 HA SER 642 HA SER 642 15.961 5.413 -3.339 465 HB2 SER 642 HB2 SER 642 13.380 4.462 -2.074 466 HB3 SER 642 HB3 SER 642 13.936 6.136 -2.075 467 HG SER 642 HG SER 642 13.481 4.591 -4.415 468 H ALA 643 H ALA 643 15.096 2.977 -0.878 469 HA ALA 643 HA ALA 643 16.338 4.482 1.251 470 HB1 ALA 643 HB1 ALA 643 15.641 2.617 2.668 471 HB2 ALA 643 HB2 ALA 643 15.148 1.716 1.232 472 HB3 ALA 643 HB3 ALA 643 14.318 3.210 1.665 473 H ASN 644 H ASN 644 18.072 3.761 2.559 474 HA ASN 644 HA ASN 644 19.973 1.966 1.198 475 HB2 ASN 644 HB2 ASN 644 20.513 4.390 2.927 476 HB3 ASN 644 HB3 ASN 644 21.764 3.259 2.429 477 HD21 ASN 644 HD21 ASN 644 20.206 6.095 1.693 478 HD22 ASN 644 HD22 ASN 644 20.697 6.262 0.045 479 H SER 645 H SER 645 18.081 2.352 3.979 480 HA SER 645 HA SER 645 19.539 0.200 5.358 481 HB2 SER 645 HB2 SER 645 19.176 1.258 7.515 482 HB3 SER 645 HB3 SER 645 19.995 2.405 6.455 483 HG SER 645 HG SER 645 17.713 3.131 5.999 484 H ARG 646 H ARG 646 18.155 -0.956 6.969 485 HA ARG 646 HA ARG 646 15.765 -1.794 5.637 486 HB2 ARG 646 HB2 ARG 646 17.288 -3.384 6.724 487 HB3 ARG 646 HB3 ARG 646 16.926 -2.673 8.286 488 HG2 ARG 646 HG2 ARG 646 14.614 -3.409 8.114 489 HG3 ARG 646 HG3 ARG 646 14.925 -4.066 6.508 490 HD2 ARG 646 HD2 ARG 646 14.918 -5.782 8.305 491 HD3 ARG 646 HD3 ARG 646 16.429 -5.708 7.404 492 HE ARG 646 HE ARG 646 17.511 -5.061 9.321 493 HH11 ARG 646 HH11 ARG 646 14.057 -4.738 9.884 494 HH12 ARG 646 HH12 ARG 646 14.249 -4.420 11.576 495 HH21 ARG 646 HH21 ARG 646 17.732 -4.640 11.536 496 HH22 ARG 646 HH22 ARG 646 16.326 -4.365 12.507 497 H ASP 647 H ASP 647 16.432 0.323 8.316 498 HA ASP 647 HA ASP 647 13.722 0.338 9.329 499 HB2 ASP 647 HB2 ASP 647 16.159 2.016 9.938 500 HB3 ASP 647 HB3 ASP 647 14.586 2.346 10.655 501 H GLU 648 H GLU 648 15.568 2.106 6.972 502 HA GLU 648 HA GLU 648 13.592 4.209 6.666 503 HB2 GLU 648 HB2 GLU 648 16.064 4.581 6.338 504 HB3 GLU 648 HB3 GLU 648 15.974 3.573 4.903 505 HG2 GLU 648 HG2 GLU 648 15.967 5.916 4.304 506 HG3 GLU 648 HG3 GLU 648 14.428 5.167 3.875 507 H TYR 649 H TYR 649 14.692 1.328 4.932 508 HA TYR 649 HA TYR 649 13.108 1.457 2.647 509 HB2 TYR 649 HB2 TYR 649 14.953 -0.090 2.841 510 HB3 TYR 649 HB3 TYR 649 14.212 -0.886 4.214 511 HD1 TYR 649 HD1 TYR 649 14.024 -0.465 0.525 512 HD2 TYR 649 HD2 TYR 649 12.668 -2.645 3.925 513 HE1 TYR 649 HE1 TYR 649 13.045 -2.208 -0.958 514 HE2 TYR 649 HE2 TYR 649 11.701 -4.344 2.461 515 HH TYR 649 HH TYR 649 12.368 -4.636 -0.747 516 H TYR 650 H TYR 650 12.411 -0.242 5.704 517 HA TYR 650 HA TYR 650 9.731 -0.889 5.156 518 HB2 TYR 650 HB2 TYR 650 11.227 -0.541 7.754 519 HB3 TYR 650 HB3 TYR 650 9.573 -1.130 7.674 520 HD1 TYR 650 HD1 TYR 650 10.740 -2.465 4.816 521 HD2 TYR 650 HD2 TYR 650 11.446 -2.826 9.000 522 HE1 TYR 650 HE1 TYR 650 11.574 -4.744 4.471 523 HE2 TYR 650 HE2 TYR 650 12.272 -5.114 8.665 524 HH TYR 650 HH TYR 650 13.011 -6.380 5.604 525 H HIS 651 H HIS 651 11.106 2.166 5.830 526 HA HIS 651 HA HIS 651 8.834 3.250 7.256 527 HB2 HIS 651 HB2 HIS 651 11.038 4.039 7.872 528 HB3 HIS 651 HB3 HIS 651 11.361 4.556 6.223 529 HD1 HIS 651 HD1 HIS 651 8.874 5.379 8.994 530 HD2 HIS 651 HD2 HIS 651 10.872 7.196 5.832 531 HE1 HIS 651 HE1 HIS 651 8.240 7.810 9.104 532 HE2 HIS 651 HE2 HIS 651 9.372 8.867 7.118 533 H LEU 652 H LEU 652 10.202 3.652 3.948 534 HA LEU 652 HA LEU 652 8.389 5.570 3.029 535 HB2 LEU 652 HB2 LEU 652 9.753 3.357 1.514 536 HB3 LEU 652 HB3 LEU 652 8.904 4.671 0.761 537 HG LEU 652 HG LEU 652 11.423 4.910 2.399 538 HD11 LEU 652 HD11 LEU 652 12.633 5.306 0.395 539 HD12 LEU 652 HD12 LEU 652 11.161 5.233 -0.571 540 HD13 LEU 652 HD13 LEU 652 11.762 3.782 0.231 541 HD21 LEU 652 HD21 LEU 652 10.139 6.917 2.603 542 HD22 LEU 652 HD22 LEU 652 9.937 7.011 0.852 543 HD23 LEU 652 HD23 LEU 652 11.537 7.213 1.570 544 H LEU 653 H LEU 653 7.917 2.202 3.649 545 HA LEU 653 HA LEU 653 5.460 1.995 2.107 546 HB2 LEU 653 HB2 LEU 653 6.940 0.059 2.242 547 HB3 LEU 653 HB3 LEU 653 6.810 0.060 3.986 548 HG LEU 653 HG LEU 653 4.176 -0.175 3.132 549 HD11 LEU 653 HD11 LEU 653 6.031 -1.705 1.352 550 HD12 LEU 653 HD12 LEU 653 4.735 -0.600 0.890 551 HD13 LEU 653 HD13 LEU 653 4.347 -2.157 1.621 552 HD21 LEU 653 HD21 LEU 653 5.442 -1.342 4.992 553 HD22 LEU 653 HD22 LEU 653 5.901 -2.529 3.766 554 HD23 LEU 653 HD23 LEU 653 4.196 -2.244 4.138 555 H ALA 654 H ALA 654 6.504 2.288 5.461 556 HA ALA 654 HA ALA 654 3.911 2.038 6.642 557 HB1 ALA 654 HB1 ALA 654 4.978 2.779 8.686 558 HB2 ALA 654 HB2 ALA 654 6.411 3.280 7.786 559 HB3 ALA 654 HB3 ALA 654 5.978 1.571 7.879 560 H GLU 655 H GLU 655 5.657 4.622 5.138 561 HA GLU 655 HA GLU 655 4.192 6.780 6.312 562 HB2 GLU 655 HB2 GLU 655 6.440 7.134 5.391 563 HB3 GLU 655 HB3 GLU 655 5.850 6.739 3.783 564 HG2 GLU 655 HG2 GLU 655 4.419 8.703 3.806 565 HG3 GLU 655 HG3 GLU 655 4.945 9.081 5.448 566 H LYS 656 H LYS 656 3.872 4.985 3.254 567 HA LYS 656 HA LYS 656 1.582 6.418 2.301 568 HB2 LYS 656 HB2 LYS 656 2.522 3.599 1.757 569 HB3 LYS 656 HB3 LYS 656 1.137 4.313 0.971 570 HG2 LYS 656 HG2 LYS 656 3.953 5.366 0.751 571 HG3 LYS 656 HG3 LYS 656 3.176 4.308 -0.429 572 HD2 LYS 656 HD2 LYS 656 1.455 6.035 -0.805 573 HD3 LYS 656 HD3 LYS 656 2.272 7.090 0.350 574 HE2 LYS 656 HE2 LYS 656 4.252 7.137 -1.054 575 HE3 LYS 656 HE3 LYS 656 3.502 6.009 -2.184 576 HZ1 LYS 656 HZ1 LYS 656 1.810 7.666 -2.661 577 HZ2 LYS 656 HZ2 LYS 656 3.352 8.291 -2.967 578 HZ3 LYS 656 HZ3 LYS 656 2.519 8.745 -1.566 579 H ILE 657 H ILE 657 2.112 3.954 4.674 580 HA ILE 657 HA ILE 657 -0.549 2.886 4.718 581 HB ILE 657 HB ILE 657 1.937 2.501 6.339 582 HG12 ILE 657 HG12 ILE 657 0.058 0.555 4.978 583 HG13 ILE 657 HG13 ILE 657 1.484 1.256 4.233 584 HG21 ILE 657 HG21 ILE 657 0.095 2.684 8.030 585 HG22 ILE 657 HG22 ILE 657 0.946 1.135 8.012 586 HG23 ILE 657 HG23 ILE 657 -0.650 1.271 7.274 587 HD11 ILE 657 HD11 ILE 657 2.910 0.077 5.823 588 HD12 ILE 657 HD12 ILE 657 1.855 -1.052 4.968 589 HD13 ILE 657 HD13 ILE 657 1.484 -0.584 6.625 590 H TYR 658 H TYR 658 1.235 5.251 6.674 591 HA TYR 658 HA TYR 658 -0.985 5.805 8.415 592 HB2 TYR 658 HB2 TYR 658 1.689 7.119 7.953 593 HB3 TYR 658 HB3 TYR 658 0.507 7.800 9.052 594 HD1 TYR 658 HD1 TYR 658 3.353 5.820 8.912 595 HD2 TYR 658 HD2 TYR 658 -0.473 5.941 10.777 596 HE1 TYR 658 HE1 TYR 658 4.190 4.372 10.712 597 HE2 TYR 658 HE2 TYR 658 0.357 4.490 12.580 598 HH TYR 658 HH TYR 658 3.661 3.826 13.035 599 H LYS 659 H LYS 659 0.193 6.927 5.386 600 HA LYS 659 HA LYS 659 -1.165 9.443 5.328 601 HB2 LYS 659 HB2 LYS 659 0.956 9.166 4.224 602 HB3 LYS 659 HB3 LYS 659 0.331 7.857 3.261 603 HG2 LYS 659 HG2 LYS 659 0.641 9.856 1.934 604 HG3 LYS 659 HG3 LYS 659 -1.051 9.401 2.005 605 HD2 LYS 659 HD2 LYS 659 -1.455 11.169 3.666 606 HD3 LYS 659 HD3 LYS 659 0.258 11.585 3.650 607 HE2 LYS 659 HE2 LYS 659 0.086 12.241 1.327 608 HE3 LYS 659 HE3 LYS 659 -1.615 11.802 1.295 609 HZ1 LYS 659 HZ1 LYS 659 -1.327 14.182 1.577 610 HZ2 LYS 659 HZ2 LYS 659 -0.409 13.937 2.975 611 HZ3 LYS 659 HZ3 LYS 659 -2.045 13.510 2.954 612 H ILE 660 H ILE 660 -1.866 6.202 4.060 613 HA ILE 660 HA ILE 660 -4.241 7.064 2.635 614 HB ILE 660 HB ILE 660 -3.162 4.293 3.260 615 HG12 ILE 660 HG12 ILE 660 -3.418 5.729 0.603 616 HG13 ILE 660 HG13 ILE 660 -1.953 5.744 1.577 617 HG21 ILE 660 HG21 ILE 660 -5.588 5.022 1.605 618 HG22 ILE 660 HG22 ILE 660 -5.595 4.158 3.144 619 HG23 ILE 660 HG23 ILE 660 -4.873 3.414 1.716 620 HD11 ILE 660 HD11 ILE 660 -1.723 4.121 -0.169 621 HD12 ILE 660 HD12 ILE 660 -3.238 3.348 0.288 622 HD13 ILE 660 HD13 ILE 660 -1.849 3.273 1.376 623 H GLN 661 H GLN 661 -3.462 5.681 5.757 624 HA GLN 661 HA GLN 661 -6.043 5.116 6.709 625 HB2 GLN 661 HB2 GLN 661 -3.449 5.782 8.060 626 HB3 GLN 661 HB3 GLN 661 -4.914 5.533 8.992 627 HG2 GLN 661 HG2 GLN 661 -5.106 3.275 8.190 628 HG3 GLN 661 HG3 GLN 661 -3.780 3.509 7.070 629 HE21 GLN 661 HE21 GLN 661 -3.417 1.362 8.481 630 HE22 GLN 661 HE22 GLN 661 -2.330 1.586 9.805 631 H LYS 662 H LYS 662 -4.478 8.136 6.170 632 HA LYS 662 HA LYS 662 -5.880 9.823 7.959 633 HB2 LYS 662 HB2 LYS 662 -3.873 10.563 6.762 634 HB3 LYS 662 HB3 LYS 662 -4.739 10.457 5.246 635 HG2 LYS 662 HG2 LYS 662 -4.529 12.755 5.956 636 HG3 LYS 662 HG3 LYS 662 -6.208 12.276 5.910 637 HD2 LYS 662 HD2 LYS 662 -6.279 12.131 8.306 638 HD3 LYS 662 HD3 LYS 662 -4.542 12.383 8.429 639 HE2 LYS 662 HE2 LYS 662 -5.453 14.427 8.957 640 HE3 LYS 662 HE3 LYS 662 -4.972 14.610 7.284 641 HZ1 LYS 662 HZ1 LYS 662 -7.174 15.532 7.663 642 HZ2 LYS 662 HZ2 LYS 662 -7.731 14.038 8.226 643 HZ3 LYS 662 HZ3 LYS 662 -7.258 14.210 6.611 644 H GLU 663 H GLU 663 -6.625 8.756 4.649 645 HA GLU 663 HA GLU 663 -8.915 10.404 4.353 646 HB2 GLU 663 HB2 GLU 663 -7.958 8.012 2.768 647 HB3 GLU 663 HB3 GLU 663 -9.310 9.014 2.309 648 HG2 GLU 663 HG2 GLU 663 -6.405 9.786 2.385 649 HG3 GLU 663 HG3 GLU 663 -7.453 9.637 0.977 650 H LEU 664 H LEU 664 -8.457 7.000 5.224 651 HA LEU 664 HA LEU 664 -11.176 6.334 5.586 652 HB2 LEU 664 HB2 LEU 664 -8.684 5.179 6.845 653 HB3 LEU 664 HB3 LEU 664 -10.279 4.515 7.099 654 HG LEU 664 HG LEU 664 -8.940 4.683 4.394 655 HD11 LEU 664 HD11 LEU 664 -7.752 3.202 6.072 656 HD12 LEU 664 HD12 LEU 664 -8.268 2.444 4.566 657 HD13 LEU 664 HD13 LEU 664 -9.196 2.188 6.041 658 HD21 LEU 664 HD21 LEU 664 -10.635 3.155 3.646 659 HD22 LEU 664 HD22 LEU 664 -11.409 4.568 4.366 660 HD23 LEU 664 HD23 LEU 664 -11.311 3.056 5.271 661 H GLU 665 H GLU 665 -9.030 8.231 7.511 662 HA GLU 665 HA GLU 665 -10.160 7.734 10.079 663 HB2 GLU 665 HB2 GLU 665 -7.864 8.556 9.742 664 HB3 GLU 665 HB3 GLU 665 -8.493 10.074 9.127 665 HG2 GLU 665 HG2 GLU 665 -9.460 10.580 11.297 666 HG3 GLU 665 HG3 GLU 665 -8.929 9.019 11.918 667 H GLU 666 H GLU 666 -10.951 9.943 7.480 668 HA GLU 666 HA GLU 666 -12.824 11.517 9.002 669 HB2 GLU 666 HB2 GLU 666 -11.745 12.434 6.988 670 HB3 GLU 666 HB3 GLU 666 -12.514 11.197 6.006 671 HG2 GLU 666 HG2 GLU 666 -13.743 13.191 5.705 672 HG3 GLU 666 HG3 GLU 666 -14.725 12.132 6.713 673 H LYS 667 H LYS 667 -12.881 8.562 7.193 674 HA LYS 667 HA LYS 667 -15.765 8.325 7.174 675 HB2 LYS 667 HB2 LYS 667 -13.560 6.474 6.285 676 HB3 LYS 667 HB3 LYS 667 -15.265 6.105 6.109 677 HG2 LYS 667 HG2 LYS 667 -15.525 8.035 4.625 678 HG3 LYS 667 HG3 LYS 667 -13.805 8.401 4.800 679 HD2 LYS 667 HD2 LYS 667 -13.265 6.208 3.819 680 HD3 LYS 667 HD3 LYS 667 -14.990 5.886 3.631 681 HE2 LYS 667 HE2 LYS 667 -14.036 6.634 1.545 682 HE3 LYS 667 HE3 LYS 667 -15.195 7.817 2.151 683 HZ1 LYS 667 HZ1 LYS 667 -13.343 9.136 2.981 684 HZ2 LYS 667 HZ2 LYS 667 -13.195 8.884 1.315 685 HZ3 LYS 667 HZ3 LYS 667 -12.238 7.999 2.393 686 H ARG 668 H ARG 668 -13.193 7.575 9.298 687 HA ARG 668 HA ARG 668 -14.385 5.301 10.602 688 HB2 ARG 668 HB2 ARG 668 -11.949 6.980 10.999 689 HB3 ARG 668 HB3 ARG 668 -12.512 6.032 12.361 690 HG2 ARG 668 HG2 ARG 668 -12.318 3.991 11.057 691 HG3 ARG 668 HG3 ARG 668 -11.801 4.928 9.653 692 HD2 ARG 668 HD2 ARG 668 -9.850 5.722 10.899 693 HD3 ARG 668 HD3 ARG 668 -10.392 4.795 12.301 694 HE ARG 668 HE ARG 668 -10.185 2.966 10.268 695 HH11 ARG 668 HH11 ARG 668 -7.949 5.153 11.872 696 HH12 ARG 668 HH12 ARG 668 -6.570 4.148 11.567 697 HH21 ARG 668 HH21 ARG 668 -8.367 1.671 9.880 698 HH22 ARG 668 HH22 ARG 668 -6.808 2.181 10.440 699 H ARG 669 H ARG 669 -14.473 8.765 10.995 700 HA ARG 669 HA ARG 669 -15.732 8.616 13.621 701 HB2 ARG 669 HB2 ARG 669 -14.950 10.976 11.897 702 HB3 ARG 669 HB3 ARG 669 -15.734 11.120 13.462 703 HG2 ARG 669 HG2 ARG 669 -13.821 10.041 14.528 704 HG3 ARG 669 HG3 ARG 669 -13.047 9.859 12.952 705 HD2 ARG 669 HD2 ARG 669 -13.009 12.289 12.687 706 HD3 ARG 669 HD3 ARG 669 -13.795 12.459 14.255 707 HE ARG 669 HE ARG 669 -11.544 11.036 14.809 708 HH11 ARG 669 HH11 ARG 669 -12.092 14.123 13.224 709 HH12 ARG 669 HH12 ARG 669 -10.560 14.772 13.705 710 HH21 ARG 669 HH21 ARG 669 -9.544 11.906 15.425 711 HH22 ARG 669 HH22 ARG 669 -9.121 13.516 14.949 712 H SER 670 H SER 670 -16.725 8.481 10.415 713 HA SER 670 HA SER 670 -19.244 9.881 10.761 714 HB2 SER 670 HB2 SER 670 -19.620 9.384 8.408 715 HB3 SER 670 HB3 SER 670 -18.011 10.056 8.648 716 HG SER 670 HG SER 670 -18.697 7.705 7.576 717 H ARG 671 H ARG 671 -18.087 6.541 10.485 718 HA ARG 671 HA ARG 671 -20.733 5.430 10.451 719 HB2 ARG 671 HB2 ARG 671 -17.997 4.229 10.530 720 HB3 ARG 671 HB3 ARG 671 -19.460 3.275 10.571 721 HG2 ARG 671 HG2 ARG 671 -20.116 4.187 8.409 722 HG3 ARG 671 HG3 ARG 671 -18.629 5.134 8.397 723 HD2 ARG 671 HD2 ARG 671 -17.326 3.074 8.481 724 HD3 ARG 671 HD3 ARG 671 -18.833 2.161 8.507 725 HE ARG 671 HE ARG 671 -18.924 3.736 6.241 726 HH11 ARG 671 HH11 ARG 671 -16.876 1.137 7.423 727 HH12 ARG 671 HH12 ARG 671 -16.469 0.582 5.833 728 HH21 ARG 671 HH21 ARG 671 -18.376 2.992 4.173 729 HH22 ARG 671 HH22 ARG 671 -17.315 1.634 3.997 730 H LEU 672 H LEU 672 -18.455 6.329 12.780 731 HA LEU 672 HA LEU 672 -19.664 4.622 14.847 732 HB2 LEU 672 HB2 LEU 672 -16.882 5.808 14.757 733 HB3 LEU 672 HB3 LEU 672 -17.534 4.895 16.101 734 HG LEU 672 HG LEU 672 -17.044 3.798 13.323 735 HD11 LEU 672 HD11 LEU 672 -15.501 3.366 15.884 736 HD12 LEU 672 HD12 LEU 672 -14.941 4.225 14.449 737 HD13 LEU 672 HD13 LEU 672 -15.247 2.491 14.374 738 HD21 LEU 672 HD21 LEU 672 -17.514 1.621 14.353 739 HD22 LEU 672 HD22 LEU 672 -18.908 2.698 14.404 740 HD23 LEU 672 HD23 LEU 672 -17.944 2.437 15.856 741 H1 GLY 519 H1 GLY 519 -13.621 14.790 -30.710 742 H2 GLY 519 H2 GLY 519 -13.452 13.136 -31.019 743 H3 GLY 519 H3 GLY 519 -12.334 13.930 -30.028 744 HA2 GLY 519 HA2 GLY 519 -14.047 14.356 -28.379 745 HA3 GLY 519 HA3 GLY 519 -15.211 13.536 -29.410 746 H SER 520 H SER 520 -12.519 13.166 -27.240 747 HA SER 520 HA SER 520 -12.944 10.249 -27.215 748 HB2 SER 520 HB2 SER 520 -10.711 10.778 -28.041 749 HB3 SER 520 HB3 SER 520 -10.406 11.804 -26.643 750 HG SER 520 HG SER 520 -11.101 9.113 -26.251 751 HA PRO 521 HA PRO 521 -14.266 10.995 -22.968 752 HB2 PRO 521 HB2 PRO 521 -14.481 8.399 -22.162 753 HB3 PRO 521 HB3 PRO 521 -15.669 9.190 -23.195 754 HG2 PRO 521 HG2 PRO 521 -13.509 7.381 -23.936 755 HG3 PRO 521 HG3 PRO 521 -15.033 7.445 -24.521 756 HD2 PRO 521 HD2 PRO 521 -13.017 8.400 -25.804 757 HD3 PRO 521 HD3 PRO 521 -14.530 8.988 -25.985 758 H GLY 522 H GLY 522 -13.301 11.274 -21.024 759 HA2 GLY 522 HA2 GLY 522 -11.685 9.978 -19.443 760 HA3 GLY 522 HA3 GLY 522 -10.541 10.313 -20.734 761 H TYR 523 H TYR 523 -10.933 11.204 -17.812 762 HA TYR 523 HA TYR 523 -10.552 14.083 -18.314 763 HB2 TYR 523 HB2 TYR 523 -12.723 13.685 -17.215 764 HB3 TYR 523 HB3 TYR 523 -11.917 12.809 -15.922 765 HD1 TYR 523 HD1 TYR 523 -12.302 16.159 -17.468 766 HD2 TYR 523 HD2 TYR 523 -10.991 13.963 -14.065 767 HE1 TYR 523 HE1 TYR 523 -12.051 18.260 -16.214 768 HE2 TYR 523 HE2 TYR 523 -10.741 16.059 -12.803 769 HH TYR 523 HH TYR 523 -12.010 19.016 -13.877 770 HA PRO 524 HA PRO 524 -6.620 13.011 -16.315 771 HB2 PRO 524 HB2 PRO 524 -5.323 15.339 -16.671 772 HB3 PRO 524 HB3 PRO 524 -5.615 14.218 -18.005 773 HG2 PRO 524 HG2 PRO 524 -7.106 16.659 -17.342 774 HG3 PRO 524 HG3 PRO 524 -6.620 16.137 -18.812 775 HD2 PRO 524 HD2 PRO 524 -9.088 15.763 -17.953 776 HD3 PRO 524 HD3 PRO 524 -8.392 14.749 -19.029 777 H ASN 525 H ASN 525 -5.668 13.310 -14.329 778 HA ASN 525 HA ASN 525 -7.056 15.138 -12.496 779 HB2 ASN 525 HB2 ASN 525 -5.530 12.591 -11.916 780 HB3 ASN 525 HB3 ASN 525 -6.163 13.657 -10.671 781 HD21 ASN 525 HD21 ASN 525 -6.772 10.867 -11.207 782 HD22 ASN 525 HD22 ASN 525 -8.477 10.786 -11.477 783 H GLY 526 H GLY 526 -3.850 14.186 -13.609 784 HA2 GLY 526 HA2 GLY 526 -2.186 15.935 -13.844 785 HA3 GLY 526 HA3 GLY 526 -2.789 16.639 -12.354 786 H LEU 527 H LEU 527 -0.287 16.530 -12.198 787 HA LEU 527 HA LEU 527 0.362 14.163 -10.608 788 HB2 LEU 527 HB2 LEU 527 2.253 15.511 -12.539 789 HB3 LEU 527 HB3 LEU 527 2.706 14.250 -11.437 790 HG LEU 527 HG LEU 527 0.848 13.938 -13.803 791 HD11 LEU 527 HD11 LEU 527 2.632 12.689 -14.856 792 HD12 LEU 527 HD12 LEU 527 3.688 13.031 -13.487 793 HD13 LEU 527 HD13 LEU 527 3.121 14.348 -14.509 794 HD21 LEU 527 HD21 LEU 527 1.079 11.517 -13.410 795 HD22 LEU 527 HD22 LEU 527 0.258 12.358 -12.091 796 HD23 LEU 527 HD23 LEU 527 1.944 11.874 -11.912 797 H LEU 528 H LEU 528 2.939 15.046 -9.797 798 HA LEU 528 HA LEU 528 3.979 16.119 -8.148 799 HB2 LEU 528 HB2 LEU 528 2.200 18.397 -8.979 800 HB3 LEU 528 HB3 LEU 528 3.549 18.548 -7.892 801 HG LEU 528 HG LEU 528 3.793 17.719 -10.796 802 HD11 LEU 528 HD11 LEU 528 2.976 19.983 -10.678 803 HD12 LEU 528 HD12 LEU 528 4.683 20.008 -11.120 804 HD13 LEU 528 HD13 LEU 528 4.193 20.395 -9.470 805 HD21 LEU 528 HD21 LEU 528 5.878 18.572 -8.779 806 HD22 LEU 528 HD22 LEU 528 6.173 18.242 -10.487 807 HD23 LEU 528 HD23 LEU 528 5.655 16.941 -9.415 808 H SER 529 H SER 529 0.626 15.778 -8.028 809 HA SER 529 HA SER 529 0.704 15.606 -5.104 810 HB2 SER 529 HB2 SER 529 -0.401 17.731 -5.635 811 HB3 SER 529 HB3 SER 529 -1.529 16.898 -6.701 812 HG SER 529 HG SER 529 -2.076 17.400 -4.331 813 H GLY 530 H GLY 530 1.132 13.368 -5.973 814 HA2 GLY 530 HA2 GLY 530 -1.238 11.986 -7.004 815 HA3 GLY 530 HA3 GLY 530 0.398 11.350 -6.974 816 H ASP 531 H ASP 531 -1.388 12.805 -4.283 817 HA ASP 531 HA ASP 531 -1.495 10.181 -2.955 818 HB2 ASP 531 HB2 ASP 531 -0.703 12.790 -1.632 819 HB3 ASP 531 HB3 ASP 531 -0.892 11.243 -0.815 820 H GLU 532 H GLU 532 -3.186 12.708 -4.126 821 HA GLU 532 HA GLU 532 -5.250 12.777 -2.097 822 HB2 GLU 532 HB2 GLU 532 -4.866 14.313 -4.651 823 HB3 GLU 532 HB3 GLU 532 -6.212 14.538 -3.569 824 HG2 GLU 532 HG2 GLU 532 -4.611 15.170 -1.797 825 HG3 GLU 532 HG3 GLU 532 -3.314 15.050 -2.979 826 H ASP 533 H ASP 533 -4.489 10.934 -4.643 827 HA ASP 533 HA ASP 533 -7.108 10.497 -5.767 828 HB2 ASP 533 HB2 ASP 533 -4.370 9.382 -6.298 829 HB3 ASP 533 HB3 ASP 533 -5.798 8.735 -7.073 830 H PHE 534 H PHE 534 -5.407 9.335 -3.094 831 HA PHE 534 HA PHE 534 -6.464 6.640 -3.116 832 HB2 PHE 534 HB2 PHE 534 -4.826 8.203 -1.118 833 HB3 PHE 534 HB3 PHE 534 -5.435 6.588 -0.769 834 HD1 PHE 534 HD1 PHE 534 -2.970 8.538 -2.470 835 HD2 PHE 534 HD2 PHE 534 -4.654 4.655 -2.161 836 HE1 PHE 534 HE1 PHE 534 -0.997 7.608 -3.617 837 HE2 PHE 534 HE2 PHE 534 -2.684 3.702 -3.287 838 HZ PHE 534 HZ PHE 534 -0.901 5.083 -4.020 839 H SER 535 H SER 535 -7.537 9.618 -2.264 840 HA SER 535 HA SER 535 -9.422 8.812 -0.211 841 HB2 SER 535 HB2 SER 535 -10.178 11.150 -0.272 842 HB3 SER 535 HB3 SER 535 -8.422 11.070 -0.146 843 HG SER 535 HG SER 535 -8.596 12.427 -1.774 844 H SER 536 H SER 536 -9.383 9.495 -3.653 845 HA SER 536 HA SER 536 -12.240 9.082 -3.931 846 HB2 SER 536 HB2 SER 536 -11.907 9.668 -6.278 847 HB3 SER 536 HB3 SER 536 -11.200 10.861 -5.204 848 HG SER 536 HG SER 536 -9.259 10.365 -5.892 849 H ILE 537 H ILE 537 -9.220 7.465 -4.889 850 HA ILE 537 HA ILE 537 -10.685 5.436 -6.363 851 HB ILE 537 HB ILE 537 -7.716 5.854 -5.977 852 HG12 ILE 537 HG12 ILE 537 -9.321 6.064 -8.540 853 HG13 ILE 537 HG13 ILE 537 -8.973 7.440 -7.507 854 HG21 ILE 537 HG21 ILE 537 -7.355 4.089 -7.687 855 HG22 ILE 537 HG22 ILE 537 -9.072 3.686 -7.580 856 HG23 ILE 537 HG23 ILE 537 -8.028 3.478 -6.173 857 HD11 ILE 537 HD11 ILE 537 -6.964 5.760 -8.999 858 HD12 ILE 537 HD12 ILE 537 -6.562 7.085 -7.907 859 HD13 ILE 537 HD13 ILE 537 -7.466 7.407 -9.386 860 H ALA 538 H ALA 538 -8.690 5.569 -3.413 861 HA ALA 538 HA ALA 538 -8.667 2.725 -3.174 862 HB1 ALA 538 HB1 ALA 538 -6.759 4.090 -2.459 863 HB2 ALA 538 HB2 ALA 538 -7.352 3.049 -1.164 864 HB3 ALA 538 HB3 ALA 538 -7.750 4.767 -1.167 865 H ASP 539 H ASP 539 -10.879 5.018 -2.305 866 HA ASP 539 HA ASP 539 -12.140 3.287 -0.284 867 HB2 ASP 539 HB2 ASP 539 -12.604 6.196 -1.057 868 HB3 ASP 539 HB3 ASP 539 -13.687 5.320 0.016 869 H MET 540 H MET 540 -12.318 4.299 -3.554 870 HA MET 540 HA MET 540 -14.956 3.224 -4.063 871 HB2 MET 540 HB2 MET 540 -12.772 4.451 -5.661 872 HB3 MET 540 HB3 MET 540 -13.850 3.344 -6.501 873 HG2 MET 540 HG2 MET 540 -15.769 4.686 -5.918 874 HG3 MET 540 HG3 MET 540 -14.769 5.740 -4.924 875 HE1 MET 540 HE1 MET 540 -15.861 4.716 -8.526 876 HE2 MET 540 HE2 MET 540 -14.159 4.262 -8.615 877 HE3 MET 540 HE3 MET 540 -14.756 5.631 -9.552 878 H ASP 541 H ASP 541 -11.745 2.062 -3.807 879 HA ASP 541 HA ASP 541 -12.110 -0.248 -5.498 880 HB2 ASP 541 HB2 ASP 541 -9.833 0.901 -3.941 881 HB3 ASP 541 HB3 ASP 541 -9.762 -0.771 -4.476 882 H PHE 542 H PHE 542 -12.182 0.436 -2.000 883 HA PHE 542 HA PHE 542 -12.102 -2.396 -1.411 884 HB2 PHE 542 HB2 PHE 542 -10.940 -0.988 0.117 885 HB3 PHE 542 HB3 PHE 542 -12.352 -0.027 0.439 886 HD1 PHE 542 HD1 PHE 542 -12.514 -3.701 0.357 887 HD2 PHE 542 HD2 PHE 542 -12.049 -0.262 2.824 888 HE1 PHE 542 HE1 PHE 542 -12.834 -5.097 2.354 889 HE2 PHE 542 HE2 PHE 542 -12.379 -1.655 4.821 890 HZ PHE 542 HZ PHE 542 -12.769 -4.070 4.587 891 H SER 543 H SER 543 -14.498 -0.085 -2.022 892 HA SER 543 HA SER 543 -16.690 -1.110 -0.584 893 HB2 SER 543 HB2 SER 543 -18.077 0.183 -2.149 894 HB3 SER 543 HB3 SER 543 -16.692 1.117 -1.593 895 HG SER 543 HG SER 543 -15.874 -0.096 -3.745 896 H ALA 544 H ALA 544 -15.129 -2.271 -3.443 897 HA ALA 544 HA ALA 544 -17.360 -3.837 -4.402 898 HB1 ALA 544 HB1 ALA 544 -15.723 -2.892 -5.957 899 HB2 ALA 544 HB2 ALA 544 -15.809 -4.648 -6.091 900 HB3 ALA 544 HB3 ALA 544 -14.463 -3.894 -5.236 901 H LEU 545 H LEU 545 -14.728 -4.310 -2.194 902 HA LEU 545 HA LEU 545 -14.743 -7.189 -2.293 903 HB2 LEU 545 HB2 LEU 545 -12.772 -5.682 -1.770 904 HB3 LEU 545 HB3 LEU 545 -13.489 -5.466 -0.194 905 HG LEU 545 HG LEU 545 -13.429 -7.989 0.071 906 HD11 LEU 545 HD11 LEU 545 -13.146 -8.579 -2.282 907 HD12 LEU 545 HD12 LEU 545 -11.852 -9.230 -1.278 908 HD13 LEU 545 HD13 LEU 545 -11.553 -7.813 -2.280 909 HD21 LEU 545 HD21 LEU 545 -10.798 -6.564 -0.208 910 HD22 LEU 545 HD22 LEU 545 -11.124 -7.992 0.770 911 HD23 LEU 545 HD23 LEU 545 -11.889 -6.456 1.175 912 H LEU 546 H LEU 546 -16.600 -4.814 -0.665 913 HA LEU 546 HA LEU 546 -17.348 -6.486 1.581 914 HB2 LEU 546 HB2 LEU 546 -18.433 -3.853 0.587 915 HB3 LEU 546 HB3 LEU 546 -19.041 -4.670 2.004 916 HG LEU 546 HG LEU 546 -16.228 -3.630 1.666 917 HD11 LEU 546 HD11 LEU 546 -16.889 -1.917 3.278 918 HD12 LEU 546 HD12 LEU 546 -18.535 -2.550 3.286 919 HD13 LEU 546 HD13 LEU 546 -17.875 -1.827 1.820 920 HD21 LEU 546 HD21 LEU 546 -16.268 -5.518 3.163 921 HD22 LEU 546 HD22 LEU 546 -17.650 -4.849 4.026 922 HD23 LEU 546 HD23 LEU 546 -16.087 -4.041 4.110 923 H SER 547 H SER 547 -18.592 -5.604 -1.542 924 HA SER 547 HA SER 547 -21.161 -6.843 -1.246 925 HB2 SER 547 HB2 SER 547 -21.480 -6.344 -3.591 926 HB3 SER 547 HB3 SER 547 -20.718 -4.958 -2.814 927 HG SER 547 HG SER 547 -19.111 -6.915 -4.027 928 H GLN 548 H GLN 548 -18.034 -8.055 -1.906 929 HA GLN 548 HA GLN 548 -18.882 -10.357 -3.425 930 HB2 GLN 548 HB2 GLN 548 -16.240 -9.461 -2.334 931 HB3 GLN 548 HB3 GLN 548 -16.445 -11.075 -2.992 932 HG2 GLN 548 HG2 GLN 548 -16.920 -8.500 -4.487 933 HG3 GLN 548 HG3 GLN 548 -15.497 -9.522 -4.613 934 HE21 GLN 548 HE21 GLN 548 -17.923 -8.664 -6.378 935 HE22 GLN 548 HE22 GLN 548 -18.342 -10.139 -7.174 936 H ILE 549 H ILE 549 -18.839 -9.559 -0.184 937 HA ILE 549 HA ILE 549 -18.593 -12.352 0.722 938 HB ILE 549 HB ILE 549 -18.374 -9.756 2.269 939 HG12 ILE 549 HG12 ILE 549 -16.318 -11.969 1.955 940 HG13 ILE 549 HG13 ILE 549 -16.342 -10.512 0.982 941 HG21 ILE 549 HG21 ILE 549 -17.965 -11.083 4.297 942 HG22 ILE 549 HG22 ILE 549 -18.349 -12.553 3.403 943 HG23 ILE 549 HG23 ILE 549 -19.591 -11.328 3.658 944 HD11 ILE 549 HD11 ILE 549 -15.892 -10.644 3.964 945 HD12 ILE 549 HD12 ILE 549 -15.918 -9.171 2.994 946 HD13 ILE 549 HD13 ILE 549 -14.660 -10.379 2.729 947 H SER 550 H SER 550 -20.753 -9.592 0.582 948 HA SER 550 HA SER 550 -22.803 -10.969 2.149 949 HB2 SER 550 HB2 SER 550 -24.017 -8.821 2.078 950 HB3 SER 550 HB3 SER 550 -22.379 -8.618 2.698 951 HG SER 550 HG SER 550 -23.479 -7.806 0.250 952 H SER 551 H SER 551 -22.250 -9.701 -1.111 953 HA SER 551 HA SER 551 -23.259 -9.982 -3.115 954 HB2 SER 551 HB2 SER 551 -24.229 -12.555 -1.840 955 HB3 SER 551 HB3 SER 551 -24.410 -12.173 -3.551 956 HG SER 551 HG SER 551 -22.370 -13.324 -2.454 Start of MODEL 8 1 H1 GLY 586 H1 GLY 586 26.407 -3.379 -9.597 2 H2 GLY 586 H2 GLY 586 26.943 -1.846 -9.127 3 H3 GLY 586 H3 GLY 586 25.524 -2.004 -10.033 4 HA2 GLY 586 HA2 GLY 586 24.991 -1.556 -7.730 5 HA3 GLY 586 HA3 GLY 586 24.437 -3.151 -8.216 6 H VAL 587 H VAL 587 25.834 -1.523 -5.776 7 HA VAL 587 HA VAL 587 27.735 -3.576 -4.950 8 HB VAL 587 HB VAL 587 26.949 -0.996 -3.556 9 HG11 VAL 587 HG11 VAL 587 29.215 -2.893 -2.928 10 HG12 VAL 587 HG12 VAL 587 27.763 -2.654 -1.956 11 HG13 VAL 587 HG13 VAL 587 28.922 -1.339 -2.146 12 HG21 VAL 587 HG21 VAL 587 29.143 -0.158 -4.271 13 HG22 VAL 587 HG22 VAL 587 28.120 -0.564 -5.650 14 HG23 VAL 587 HG23 VAL 587 29.420 -1.653 -5.163 15 H ARG 588 H ARG 588 27.313 -5.139 -3.518 16 HA ARG 588 HA ARG 588 24.618 -5.345 -2.436 17 HB2 ARG 588 HB2 ARG 588 25.647 -7.263 -3.673 18 HB3 ARG 588 HB3 ARG 588 26.820 -7.421 -2.378 19 HG2 ARG 588 HG2 ARG 588 25.086 -8.027 -0.812 20 HG3 ARG 588 HG3 ARG 588 23.839 -7.721 -2.021 21 HD2 ARG 588 HD2 ARG 588 24.158 -10.077 -1.933 22 HD3 ARG 588 HD3 ARG 588 24.900 -9.511 -3.429 23 HE ARG 588 HE ARG 588 26.869 -9.567 -1.439 24 HH11 ARG 588 HH11 ARG 588 24.921 -11.861 -3.256 25 HH12 ARG 588 HH12 ARG 588 26.100 -13.124 -3.143 26 HH21 ARG 588 HH21 ARG 588 28.394 -11.235 -1.307 27 HH22 ARG 588 HH22 ARG 588 28.064 -12.769 -2.041 28 H LYS 589 H LYS 589 24.072 -5.126 -0.371 29 HA LYS 589 HA LYS 589 26.220 -4.794 1.617 30 HB2 LYS 589 HB2 LYS 589 23.522 -3.439 1.526 31 HB3 LYS 589 HB3 LYS 589 24.661 -3.296 2.853 32 HG2 LYS 589 HG2 LYS 589 26.268 -2.211 1.357 33 HG3 LYS 589 HG3 LYS 589 25.137 -2.381 0.016 34 HD2 LYS 589 HD2 LYS 589 23.513 -0.982 1.277 35 HD3 LYS 589 HD3 LYS 589 24.739 -0.742 2.522 36 HE2 LYS 589 HE2 LYS 589 26.206 0.322 0.905 37 HE3 LYS 589 HE3 LYS 589 25.035 0.030 -0.379 38 HZ1 LYS 589 HZ1 LYS 589 23.463 1.453 0.802 39 HZ2 LYS 589 HZ2 LYS 589 24.879 2.290 0.416 40 HZ3 LYS 589 HZ3 LYS 589 24.619 1.759 1.999 41 H GLY 590 H GLY 590 24.880 -4.889 3.980 42 HA2 GLY 590 HA2 GLY 590 24.533 -7.676 4.361 43 HA3 GLY 590 HA3 GLY 590 24.230 -6.430 5.557 44 H TRP 591 H TRP 591 22.187 -5.057 4.033 45 HA TRP 591 HA TRP 591 19.933 -6.543 4.930 46 HB2 TRP 591 HB2 TRP 591 18.618 -4.675 4.338 47 HB3 TRP 591 HB3 TRP 591 20.147 -4.018 4.896 48 HD1 TRP 591 HD1 TRP 591 21.761 -2.911 2.959 49 HE1 TRP 591 HE1 TRP 591 21.152 -1.837 0.703 50 HE3 TRP 591 HE3 TRP 591 17.016 -4.779 2.399 51 HZ2 TRP 591 HZ2 TRP 591 18.960 -1.774 -1.071 52 HZ3 TRP 591 HZ3 TRP 591 15.737 -4.152 0.395 53 HH2 TRP 591 HH2 TRP 591 16.691 -2.681 -1.302 54 H HIS 592 H HIS 592 21.385 -6.105 1.778 55 HA HIS 592 HA HIS 592 19.238 -7.273 0.289 56 HB2 HIS 592 HB2 HIS 592 21.800 -6.049 -0.256 57 HB3 HIS 592 HB3 HIS 592 21.645 -7.536 -1.180 58 HD1 HIS 592 HD1 HIS 592 21.180 -4.125 -1.668 59 HD2 HIS 592 HD2 HIS 592 18.782 -7.429 -2.446 60 HE1 HIS 592 HE1 HIS 592 19.550 -3.373 -3.427 61 HE2 HIS 592 HE2 HIS 592 18.139 -5.401 -3.917 62 H GLU 593 H GLU 593 21.592 -8.599 2.329 63 HA GLU 593 HA GLU 593 21.912 -11.111 0.930 64 HB2 GLU 593 HB2 GLU 593 22.931 -10.124 3.580 65 HB3 GLU 593 HB3 GLU 593 23.236 -11.748 2.982 66 HG2 GLU 593 HG2 GLU 593 23.937 -9.971 0.914 67 HG3 GLU 593 HG3 GLU 593 24.606 -9.316 2.405 68 H HIS 594 H HIS 594 19.894 -9.854 3.498 69 HA HIS 594 HA HIS 594 18.940 -12.573 4.069 70 HB2 HIS 594 HB2 HIS 594 18.655 -10.081 5.742 71 HB3 HIS 594 HB3 HIS 594 17.904 -11.622 6.136 72 HD1 HIS 594 HD1 HIS 594 19.810 -13.636 6.403 73 HD2 HIS 594 HD2 HIS 594 21.010 -9.701 6.970 74 HE1 HIS 594 HE1 HIS 594 21.913 -13.770 7.771 75 HE2 HIS 594 HE2 HIS 594 22.706 -11.388 7.954 76 H VAL 595 H VAL 595 17.902 -9.534 2.707 77 HA VAL 595 HA VAL 595 15.098 -10.111 2.973 78 HB VAL 595 HB VAL 595 16.537 -7.998 1.344 79 HG11 VAL 595 HG11 VAL 595 14.338 -6.973 0.899 80 HG12 VAL 595 HG12 VAL 595 13.546 -8.379 1.607 81 HG13 VAL 595 HG13 VAL 595 14.493 -8.552 0.129 82 HG21 VAL 595 HG21 VAL 595 14.977 -7.997 3.907 83 HG22 VAL 595 HG22 VAL 595 15.220 -6.523 2.974 84 HG23 VAL 595 HG23 VAL 595 16.614 -7.405 3.601 85 H THR 596 H THR 596 13.841 -11.264 1.702 86 HA THR 596 HA THR 596 14.988 -12.421 -0.755 87 HB THR 596 HB THR 596 13.558 -14.359 -0.417 88 HG1 THR 596 HG1 THR 596 12.723 -13.292 2.077 89 HG21 THR 596 HG21 THR 596 14.985 -13.663 2.145 90 HG22 THR 596 HG22 THR 596 15.729 -14.380 0.717 91 HG23 THR 596 HG23 THR 596 14.512 -15.279 1.623 92 H GLN 597 H GLN 597 13.017 -13.389 -2.132 93 HA GLN 597 HA GLN 597 11.252 -11.291 -2.933 94 HB2 GLN 597 HB2 GLN 597 11.331 -14.241 -3.608 95 HB3 GLN 597 HB3 GLN 597 10.138 -13.140 -4.273 96 HG2 GLN 597 HG2 GLN 597 11.945 -11.826 -5.298 97 HG3 GLN 597 HG3 GLN 597 13.109 -12.983 -4.669 98 HE21 GLN 597 HE21 GLN 597 10.418 -14.699 -5.421 99 HE22 GLN 597 HE22 GLN 597 10.805 -15.176 -7.035 100 H ASP 598 H ASP 598 11.209 -13.655 -0.460 101 HA ASP 598 HA ASP 598 8.357 -13.899 -0.190 102 HB2 ASP 598 HB2 ASP 598 10.609 -14.708 1.662 103 HB3 ASP 598 HB3 ASP 598 8.918 -15.116 1.903 104 H LEU 599 H LEU 599 10.911 -11.981 1.456 105 HA LEU 599 HA LEU 599 9.236 -10.768 3.359 106 HB2 LEU 599 HB2 LEU 599 11.692 -10.570 3.427 107 HB3 LEU 599 HB3 LEU 599 11.665 -9.560 2.003 108 HG LEU 599 HG LEU 599 10.467 -7.807 3.280 109 HD11 LEU 599 HD11 LEU 599 9.376 -9.354 4.867 110 HD12 LEU 599 HD12 LEU 599 10.173 -8.010 5.664 111 HD13 LEU 599 HD13 LEU 599 10.927 -9.608 5.658 112 HD21 LEU 599 HD21 LEU 599 12.277 -7.205 4.863 113 HD22 LEU 599 HD22 LEU 599 12.883 -7.622 3.265 114 HD23 LEU 599 HD23 LEU 599 13.005 -8.783 4.586 115 H ARG 600 H ARG 600 10.041 -9.736 0.053 116 HA ARG 600 HA ARG 600 8.815 -7.229 0.059 117 HB2 ARG 600 HB2 ARG 600 9.271 -9.184 -2.201 118 HB3 ARG 600 HB3 ARG 600 8.655 -7.560 -2.458 119 HG2 ARG 600 HG2 ARG 600 10.665 -6.566 -1.817 120 HG3 ARG 600 HG3 ARG 600 11.221 -8.031 -1.002 121 HD2 ARG 600 HD2 ARG 600 12.489 -7.996 -2.956 122 HD3 ARG 600 HD3 ARG 600 11.166 -9.093 -3.353 123 HE ARG 600 HE ARG 600 10.446 -6.496 -4.135 124 HH11 ARG 600 HH11 ARG 600 12.722 -9.000 -5.082 125 HH12 ARG 600 HH12 ARG 600 12.782 -8.481 -6.733 126 HH21 ARG 600 HH21 ARG 600 10.539 -5.837 -6.301 127 HH22 ARG 600 HH22 ARG 600 11.546 -6.692 -7.420 128 H SER 601 H SER 601 7.434 -10.394 -0.364 129 HA SER 601 HA SER 601 4.862 -9.490 -1.301 130 HB2 SER 601 HB2 SER 601 4.196 -11.850 -1.058 131 HB3 SER 601 HB3 SER 601 5.748 -11.724 -1.880 132 HG SER 601 HG SER 601 6.331 -11.887 0.654 133 H HIS 602 H HIS 602 6.286 -10.252 1.829 134 HA HIS 602 HA HIS 602 3.799 -10.064 3.297 135 HB2 HIS 602 HB2 HIS 602 6.696 -10.181 4.182 136 HB3 HIS 602 HB3 HIS 602 5.340 -10.132 5.299 137 HD1 HIS 602 HD1 HIS 602 7.242 -12.501 5.396 138 HD2 HIS 602 HD2 HIS 602 3.795 -12.432 3.077 139 HE1 HIS 602 HE1 HIS 602 6.638 -14.912 5.019 140 HE2 HIS 602 HE2 HIS 602 4.584 -14.846 3.560 141 H LEU 603 H LEU 603 6.255 -7.953 2.181 142 HA LEU 603 HA LEU 603 5.678 -5.645 3.803 143 HB2 LEU 603 HB2 LEU 603 7.133 -6.153 1.208 144 HB3 LEU 603 HB3 LEU 603 6.929 -4.531 1.812 145 HG LEU 603 HG LEU 603 8.576 -6.774 3.027 146 HD11 LEU 603 HD11 LEU 603 9.728 -5.675 1.267 147 HD12 LEU 603 HD12 LEU 603 10.424 -5.186 2.818 148 HD13 LEU 603 HD13 LEU 603 9.346 -4.090 1.946 149 HD21 LEU 603 HD21 LEU 603 7.948 -4.109 4.254 150 HD22 LEU 603 HD22 LEU 603 9.335 -5.091 4.705 151 HD23 LEU 603 HD23 LEU 603 7.701 -5.718 4.940 152 H VAL 604 H VAL 604 4.583 -6.982 0.753 153 HA VAL 604 HA VAL 604 2.877 -4.772 0.081 154 HB VAL 604 HB VAL 604 3.349 -7.487 -1.164 155 HG11 VAL 604 HG11 VAL 604 1.416 -7.282 -2.268 156 HG12 VAL 604 HG12 VAL 604 2.150 -5.907 -3.098 157 HG13 VAL 604 HG13 VAL 604 1.162 -5.650 -1.659 158 HG21 VAL 604 HG21 VAL 604 3.963 -4.757 -2.257 159 HG22 VAL 604 HG22 VAL 604 4.580 -6.329 -2.801 160 HG23 VAL 604 HG23 VAL 604 5.101 -5.665 -1.239 161 H HIS 605 H HIS 605 2.586 -7.916 1.635 162 HA HIS 605 HA HIS 605 -0.286 -7.919 1.786 163 HB2 HIS 605 HB2 HIS 605 1.153 -9.987 1.892 164 HB3 HIS 605 HB3 HIS 605 1.669 -9.479 3.494 165 HD1 HIS 605 HD1 HIS 605 -1.682 -10.096 1.777 166 HD2 HIS 605 HD2 HIS 605 0.220 -10.691 5.426 167 HE1 HIS 605 HE1 HIS 605 -3.359 -11.285 3.223 168 HE2 HIS 605 HE2 HIS 605 -2.221 -11.547 5.457 169 H LYS 606 H LYS 606 2.218 -6.354 3.452 170 HA LYS 606 HA LYS 606 0.771 -5.805 5.922 171 HB2 LYS 606 HB2 LYS 606 3.251 -6.101 5.841 172 HB3 LYS 606 HB3 LYS 606 3.360 -4.680 4.818 173 HG2 LYS 606 HG2 LYS 606 2.630 -3.262 6.608 174 HG3 LYS 606 HG3 LYS 606 2.309 -4.660 7.639 175 HD2 LYS 606 HD2 LYS 606 4.674 -5.240 7.620 176 HD3 LYS 606 HD3 LYS 606 5.005 -3.889 6.537 177 HE2 LYS 606 HE2 LYS 606 4.308 -2.313 8.227 178 HE3 LYS 606 HE3 LYS 606 3.844 -3.635 9.284 179 HZ1 LYS 606 HZ1 LYS 606 5.987 -2.717 9.907 180 HZ2 LYS 606 HZ2 LYS 606 6.602 -3.061 8.368 181 HZ3 LYS 606 HZ3 LYS 606 6.151 -4.324 9.400 182 H LEU 607 H LEU 607 1.315 -4.573 2.821 183 HA LEU 607 HA LEU 607 0.540 -1.831 3.252 184 HB2 LEU 607 HB2 LEU 607 2.408 -2.437 1.885 185 HB3 LEU 607 HB3 LEU 607 1.411 -3.495 0.941 186 HG LEU 607 HG LEU 607 0.359 -1.599 -0.163 187 HD11 LEU 607 HD11 LEU 607 1.165 0.689 0.171 188 HD12 LEU 607 HD12 LEU 607 2.108 0.152 1.569 189 HD13 LEU 607 HD13 LEU 607 0.346 0.078 1.615 190 HD21 LEU 607 HD21 LEU 607 2.534 -2.533 -0.894 191 HD22 LEU 607 HD22 LEU 607 3.327 -1.218 -0.026 192 HD23 LEU 607 HD23 LEU 607 2.257 -0.864 -1.383 193 H VAL 608 H VAL 608 -0.729 -4.728 1.653 194 HA VAL 608 HA VAL 608 -3.140 -3.498 0.676 195 HB VAL 608 HB VAL 608 -2.224 -6.383 0.864 196 HG11 VAL 608 HG11 VAL 608 -4.833 -5.395 -0.290 197 HG12 VAL 608 HG12 VAL 608 -4.639 -6.462 1.101 198 HG13 VAL 608 HG13 VAL 608 -4.175 -7.017 -0.508 199 HG21 VAL 608 HG21 VAL 608 -2.772 -4.623 -1.530 200 HG22 VAL 608 HG22 VAL 608 -2.102 -6.254 -1.550 201 HG23 VAL 608 HG23 VAL 608 -1.178 -4.931 -0.840 202 H GLN 609 H GLN 609 -2.213 -4.858 3.736 203 HA GLN 609 HA GLN 609 -4.922 -5.423 4.566 204 HB2 GLN 609 HB2 GLN 609 -2.258 -5.797 5.828 205 HB3 GLN 609 HB3 GLN 609 -3.683 -5.757 6.855 206 HG2 GLN 609 HG2 GLN 609 -4.643 -7.603 5.620 207 HG3 GLN 609 HG3 GLN 609 -3.259 -7.587 4.540 208 HE21 GLN 609 HE21 GLN 609 -1.479 -6.984 6.866 209 HE22 GLN 609 HE22 GLN 609 -1.265 -8.500 7.667 210 H ALA 610 H ALA 610 -2.651 -2.827 4.832 211 HA ALA 610 HA ALA 610 -4.117 -1.353 6.822 212 HB1 ALA 610 HB1 ALA 610 -1.952 -0.501 4.912 213 HB2 ALA 610 HB2 ALA 610 -1.729 -1.036 6.577 214 HB3 ALA 610 HB3 ALA 610 -2.581 0.476 6.242 215 H ILE 611 H ILE 611 -4.125 -1.603 3.333 216 HA ILE 611 HA ILE 611 -5.813 0.712 2.930 217 HB ILE 611 HB ILE 611 -5.028 -1.489 0.982 218 HG12 ILE 611 HG12 ILE 611 -4.078 1.369 1.079 219 HG13 ILE 611 HG13 ILE 611 -3.214 0.061 1.843 220 HG21 ILE 611 HG21 ILE 611 -7.112 -0.538 0.249 221 HG22 ILE 611 HG22 ILE 611 -5.822 0.119 -0.757 222 HG23 ILE 611 HG23 ILE 611 -6.513 1.095 0.533 223 HD11 ILE 611 HD11 ILE 611 -2.153 0.528 -0.235 224 HD12 ILE 611 HD12 ILE 611 -3.689 0.469 -1.094 225 HD13 ILE 611 HD13 ILE 611 -3.004 -1.004 -0.412 226 H PHE 612 H PHE 612 -6.244 -2.835 2.541 227 HA PHE 612 HA PHE 612 -8.848 -2.589 3.827 228 HB2 PHE 612 HB2 PHE 612 -9.260 -2.547 1.360 229 HB3 PHE 612 HB3 PHE 612 -8.474 -4.113 1.230 230 HD1 PHE 612 HD1 PHE 612 -11.359 -2.345 2.688 231 HD2 PHE 612 HD2 PHE 612 -9.684 -6.100 1.616 232 HE1 PHE 612 HE1 PHE 612 -13.537 -3.426 3.103 233 HE2 PHE 612 HE2 PHE 612 -11.853 -7.194 2.023 234 HZ PHE 612 HZ PHE 612 -13.784 -5.854 2.766 235 HA PRO 613 HA PRO 613 -6.876 -6.229 5.838 236 HB2 PRO 613 HB2 PRO 613 -8.772 -6.562 7.753 237 HB3 PRO 613 HB3 PRO 613 -7.460 -5.398 7.908 238 HG2 PRO 613 HG2 PRO 613 -10.224 -4.921 7.057 239 HG3 PRO 613 HG3 PRO 613 -9.334 -4.066 8.126 240 HD2 PRO 613 HD2 PRO 613 -9.495 -3.182 5.631 241 HD3 PRO 613 HD3 PRO 613 -8.069 -3.036 6.415 242 H THR 614 H THR 614 -7.199 -8.347 5.381 243 HA THR 614 HA THR 614 -9.721 -9.038 4.060 244 HB THR 614 HB THR 614 -7.608 -10.917 3.542 245 HG1 THR 614 HG1 THR 614 -6.650 -9.113 2.045 246 HG21 THR 614 HG21 THR 614 -9.284 -9.135 1.786 247 HG22 THR 614 HG22 THR 614 -9.609 -10.815 2.220 248 HG23 THR 614 HG23 THR 614 -8.226 -10.418 1.199 249 HA PRO 615 HA PRO 615 -10.423 -12.153 7.358 250 HB2 PRO 615 HB2 PRO 615 -12.719 -12.434 5.482 251 HB3 PRO 615 HB3 PRO 615 -12.708 -12.476 7.233 252 HG2 PRO 615 HG2 PRO 615 -13.525 -10.329 6.123 253 HG3 PRO 615 HG3 PRO 615 -12.432 -10.157 7.325 254 HD2 PRO 615 HD2 PRO 615 -11.833 -10.115 4.428 255 HD3 PRO 615 HD3 PRO 615 -11.308 -9.025 5.525 256 H ASP 616 H ASP 616 -11.270 -12.588 3.956 257 HA ASP 616 HA ASP 616 -10.136 -15.309 3.979 258 HB2 ASP 616 HB2 ASP 616 -12.554 -15.068 3.370 259 HB3 ASP 616 HB3 ASP 616 -12.062 -14.119 1.972 260 HA PRO 617 HA PRO 617 -6.746 -13.763 1.370 261 HB2 PRO 617 HB2 PRO 617 -5.751 -16.205 0.701 262 HB3 PRO 617 HB3 PRO 617 -5.432 -15.432 2.256 263 HG2 PRO 617 HG2 PRO 617 -7.500 -17.437 1.637 264 HG3 PRO 617 HG3 PRO 617 -6.390 -17.486 2.834 265 HD2 PRO 617 HD2 PRO 617 -8.756 -16.536 3.485 266 HD3 PRO 617 HD3 PRO 617 -7.468 -15.690 4.025 267 H ALA 618 H ALA 618 -9.482 -15.586 0.441 268 HA ALA 618 HA ALA 618 -8.765 -16.103 -2.294 269 HB1 ALA 618 HB1 ALA 618 -11.467 -16.213 -0.962 270 HB2 ALA 618 HB2 ALA 618 -10.316 -17.545 -1.065 271 HB3 ALA 618 HB3 ALA 618 -11.050 -16.897 -2.534 272 H ALA 619 H ALA 619 -9.690 -13.288 -0.716 273 HA ALA 619 HA ALA 619 -11.293 -12.120 -2.826 274 HB1 ALA 619 HB1 ALA 619 -11.648 -11.571 -0.439 275 HB2 ALA 619 HB2 ALA 619 -11.352 -10.148 -1.442 276 HB3 ALA 619 HB3 ALA 619 -10.066 -10.787 -0.418 277 H LEU 620 H LEU 620 -8.015 -12.639 -2.452 278 HA LEU 620 HA LEU 620 -7.056 -10.101 -3.419 279 HB2 LEU 620 HB2 LEU 620 -5.700 -12.702 -2.726 280 HB3 LEU 620 HB3 LEU 620 -4.829 -11.352 -3.399 281 HG LEU 620 HG LEU 620 -6.303 -11.263 -0.760 282 HD11 LEU 620 HD11 LEU 620 -4.172 -11.466 0.353 283 HD12 LEU 620 HD12 LEU 620 -3.344 -11.619 -1.194 284 HD13 LEU 620 HD13 LEU 620 -4.460 -12.877 -0.665 285 HD21 LEU 620 HD21 LEU 620 -4.211 -9.370 -1.803 286 HD22 LEU 620 HD22 LEU 620 -5.165 -9.218 -0.326 287 HD23 LEU 620 HD23 LEU 620 -5.947 -9.087 -1.899 288 H LYS 621 H LYS 621 -8.426 -12.709 -4.934 289 HA LYS 621 HA LYS 621 -6.772 -12.479 -7.360 290 HB2 LYS 621 HB2 LYS 621 -8.641 -14.673 -6.448 291 HB3 LYS 621 HB3 LYS 621 -7.904 -14.628 -8.040 292 HG2 LYS 621 HG2 LYS 621 -5.677 -14.734 -6.995 293 HG3 LYS 621 HG3 LYS 621 -6.444 -14.842 -5.410 294 HD2 LYS 621 HD2 LYS 621 -7.562 -16.930 -6.125 295 HD3 LYS 621 HD3 LYS 621 -6.726 -16.818 -7.672 296 HE2 LYS 621 HE2 LYS 621 -4.579 -16.984 -6.543 297 HE3 LYS 621 HE3 LYS 621 -5.405 -17.068 -4.993 298 HZ1 LYS 621 HZ1 LYS 621 -5.632 -19.062 -7.186 299 HZ2 LYS 621 HZ2 LYS 621 -6.429 -19.150 -5.696 300 HZ3 LYS 621 HZ3 LYS 621 -4.743 -19.261 -5.759 301 H ASP 622 H ASP 622 -9.136 -10.802 -6.299 302 HA ASP 622 HA ASP 622 -11.233 -11.253 -8.239 303 HB2 ASP 622 HB2 ASP 622 -11.462 -10.488 -5.764 304 HB3 ASP 622 HB3 ASP 622 -11.070 -8.889 -6.382 305 H ARG 623 H ARG 623 -12.110 -9.331 -9.486 306 HA ARG 623 HA ARG 623 -10.085 -8.344 -11.238 307 HB2 ARG 623 HB2 ARG 623 -13.073 -7.957 -11.051 308 HB3 ARG 623 HB3 ARG 623 -12.116 -7.120 -12.259 309 HG2 ARG 623 HG2 ARG 623 -11.368 -9.364 -13.097 310 HG3 ARG 623 HG3 ARG 623 -12.518 -10.090 -11.974 311 HD2 ARG 623 HD2 ARG 623 -13.216 -8.154 -14.184 312 HD3 ARG 623 HD3 ARG 623 -13.405 -9.905 -14.277 313 HE ARG 623 HE ARG 623 -15.087 -8.030 -12.849 314 HH11 ARG 623 HH11 ARG 623 -14.220 -11.411 -13.251 315 HH12 ARG 623 HH12 ARG 623 -15.692 -11.991 -12.549 316 HH21 ARG 623 HH21 ARG 623 -17.004 -8.813 -11.930 317 HH22 ARG 623 HH22 ARG 623 -17.266 -10.520 -11.802 318 H ARG 624 H ARG 624 -12.386 -6.668 -9.077 319 HA ARG 624 HA ARG 624 -11.342 -4.071 -9.520 320 HB2 ARG 624 HB2 ARG 624 -13.121 -5.151 -7.330 321 HB3 ARG 624 HB3 ARG 624 -12.729 -3.451 -7.509 322 HG2 ARG 624 HG2 ARG 624 -14.067 -5.049 -9.680 323 HG3 ARG 624 HG3 ARG 624 -14.963 -4.198 -8.423 324 HD2 ARG 624 HD2 ARG 624 -13.033 -2.917 -10.362 325 HD3 ARG 624 HD3 ARG 624 -14.789 -2.897 -10.511 326 HE ARG 624 HE ARG 624 -13.170 -1.379 -8.628 327 HH11 ARG 624 HH11 ARG 624 -16.408 -2.320 -9.621 328 HH12 ARG 624 HH12 ARG 624 -17.170 -1.018 -8.770 329 HH21 ARG 624 HH21 ARG 624 -14.191 0.315 -7.526 330 HH22 ARG 624 HH22 ARG 624 -15.915 0.473 -7.587 331 H MET 625 H MET 625 -10.511 -6.570 -7.210 332 HA MET 625 HA MET 625 -9.145 -4.821 -5.378 333 HB2 MET 625 HB2 MET 625 -10.179 -6.890 -4.585 334 HB3 MET 625 HB3 MET 625 -9.124 -7.833 -5.631 335 HG2 MET 625 HG2 MET 625 -8.304 -7.953 -3.376 336 HG3 MET 625 HG3 MET 625 -7.174 -7.011 -4.345 337 HE1 MET 625 HE1 MET 625 -9.269 -7.227 -1.242 338 HE2 MET 625 HE2 MET 625 -8.583 -5.847 -0.386 339 HE3 MET 625 HE3 MET 625 -7.520 -7.110 -1.013 340 H GLU 626 H GLU 626 -8.176 -7.003 -7.984 341 HA GLU 626 HA GLU 626 -5.424 -6.992 -7.671 342 HB2 GLU 626 HB2 GLU 626 -6.692 -8.449 -9.228 343 HB3 GLU 626 HB3 GLU 626 -6.934 -7.069 -10.287 344 HG2 GLU 626 HG2 GLU 626 -5.149 -8.446 -11.132 345 HG3 GLU 626 HG3 GLU 626 -4.500 -6.896 -10.597 346 H ASN 627 H ASN 627 -7.452 -4.398 -8.657 347 HA ASN 627 HA ASN 627 -5.628 -2.904 -10.235 348 HB2 ASN 627 HB2 ASN 627 -8.130 -2.125 -8.740 349 HB3 ASN 627 HB3 ASN 627 -7.199 -0.975 -9.691 350 HD21 ASN 627 HD21 ASN 627 -9.895 -1.689 -10.129 351 HD22 ASN 627 HD22 ASN 627 -10.003 -2.436 -11.683 352 H LEU 628 H LEU 628 -6.304 -2.899 -6.729 353 HA LEU 628 HA LEU 628 -4.404 -0.747 -6.334 354 HB2 LEU 628 HB2 LEU 628 -6.063 -2.248 -4.316 355 HB3 LEU 628 HB3 LEU 628 -4.933 -0.987 -3.899 356 HG LEU 628 HG LEU 628 -7.396 -0.539 -5.608 357 HD11 LEU 628 HD11 LEU 628 -8.420 0.435 -3.650 358 HD12 LEU 628 HD12 LEU 628 -6.965 0.120 -2.696 359 HD13 LEU 628 HD13 LEU 628 -7.942 -1.228 -3.278 360 HD21 LEU 628 HD21 LEU 628 -5.725 1.113 -6.022 361 HD22 LEU 628 HD22 LEU 628 -5.395 1.269 -4.294 362 HD23 LEU 628 HD23 LEU 628 -6.935 1.828 -4.949 363 H VAL 629 H VAL 629 -4.542 -4.220 -5.938 364 HA VAL 629 HA VAL 629 -2.099 -4.725 -4.670 365 HB VAL 629 HB VAL 629 -3.465 -6.265 -6.905 366 HG11 VAL 629 HG11 VAL 629 -1.169 -6.975 -6.867 367 HG12 VAL 629 HG12 VAL 629 -2.175 -8.239 -6.146 368 HG13 VAL 629 HG13 VAL 629 -1.214 -7.176 -5.110 369 HG21 VAL 629 HG21 VAL 629 -3.503 -6.678 -3.918 370 HG22 VAL 629 HG22 VAL 629 -4.292 -7.710 -5.109 371 HG23 VAL 629 HG23 VAL 629 -4.824 -6.041 -4.897 372 H ALA 630 H ALA 630 -2.869 -3.801 -7.954 373 HA ALA 630 HA ALA 630 -0.210 -4.004 -8.988 374 HB1 ALA 630 HB1 ALA 630 -2.153 -4.299 -10.406 375 HB2 ALA 630 HB2 ALA 630 -1.175 -2.944 -10.977 376 HB3 ALA 630 HB3 ALA 630 -2.667 -2.644 -10.082 377 H TYR 631 H TYR 631 -2.010 -1.601 -7.250 378 HA TYR 631 HA TYR 631 -0.224 0.584 -7.743 379 HB2 TYR 631 HB2 TYR 631 -2.544 0.981 -6.930 380 HB3 TYR 631 HB3 TYR 631 -2.167 0.138 -5.441 381 HD1 TYR 631 HD1 TYR 631 0.338 2.382 -6.891 382 HD2 TYR 631 HD2 TYR 631 -2.911 2.092 -4.129 383 HE1 TYR 631 HE1 TYR 631 0.946 4.562 -5.921 384 HE2 TYR 631 HE2 TYR 631 -2.288 4.261 -3.159 385 HH TYR 631 HH TYR 631 -0.110 6.382 -4.656 386 H ALA 632 H ALA 632 -0.448 -1.998 -5.348 387 HA ALA 632 HA ALA 632 1.623 -0.912 -3.649 388 HB1 ALA 632 HB1 ALA 632 1.293 -3.030 -2.387 389 HB2 ALA 632 HB2 ALA 632 0.056 -3.475 -3.570 390 HB3 ALA 632 HB3 ALA 632 -0.159 -2.037 -2.568 391 H LYS 633 H LYS 633 1.439 -3.204 -6.270 392 HA LYS 633 HA LYS 633 3.699 -4.779 -5.630 393 HB2 LYS 633 HB2 LYS 633 2.061 -4.381 -8.102 394 HB3 LYS 633 HB3 LYS 633 3.553 -5.305 -8.181 395 HG2 LYS 633 HG2 LYS 633 2.712 -6.905 -6.593 396 HG3 LYS 633 HG3 LYS 633 1.271 -5.930 -6.310 397 HD2 LYS 633 HD2 LYS 633 0.336 -6.492 -8.356 398 HD3 LYS 633 HD3 LYS 633 1.888 -6.867 -9.073 399 HE2 LYS 633 HE2 LYS 633 1.814 -9.015 -8.396 400 HE3 LYS 633 HE3 LYS 633 1.179 -8.585 -6.810 401 HZ1 LYS 633 HZ1 LYS 633 -1.021 -8.365 -7.794 402 HZ2 LYS 633 HZ2 LYS 633 -0.398 -9.913 -8.067 403 HZ3 LYS 633 HZ3 LYS 633 -0.407 -8.775 -9.317 404 H LYS 634 H LYS 634 3.352 -1.713 -7.245 405 HA LYS 634 HA LYS 634 5.883 -1.770 -8.598 406 HB2 LYS 634 HB2 LYS 634 3.956 0.502 -8.134 407 HB3 LYS 634 HB3 LYS 634 5.388 0.601 -9.124 408 HG2 LYS 634 HG2 LYS 634 3.065 -1.221 -9.651 409 HG3 LYS 634 HG3 LYS 634 3.333 0.347 -10.406 410 HD2 LYS 634 HD2 LYS 634 5.441 -0.497 -11.376 411 HD3 LYS 634 HD3 LYS 634 5.150 -2.065 -10.630 412 HE2 LYS 634 HE2 LYS 634 3.310 -0.785 -12.664 413 HE3 LYS 634 HE3 LYS 634 4.576 -1.943 -13.068 414 HZ1 LYS 634 HZ1 LYS 634 3.480 -3.595 -11.719 415 HZ2 LYS 634 HZ2 LYS 634 2.394 -2.988 -12.862 416 HZ3 LYS 634 HZ3 LYS 634 2.293 -2.487 -11.250 417 H VAL 635 H VAL 635 4.593 -0.538 -5.592 418 HA VAL 635 HA VAL 635 6.506 1.530 -5.253 419 HB VAL 635 HB VAL 635 4.520 0.380 -3.292 420 HG11 VAL 635 HG11 VAL 635 6.266 1.260 -1.959 421 HG12 VAL 635 HG12 VAL 635 4.955 2.444 -1.952 422 HG13 VAL 635 HG13 VAL 635 6.388 2.715 -2.956 423 HG21 VAL 635 HG21 VAL 635 3.498 1.614 -5.162 424 HG22 VAL 635 HG22 VAL 635 4.461 3.034 -4.743 425 HG23 VAL 635 HG23 VAL 635 3.252 2.418 -3.612 426 H GLU 636 H GLU 636 6.212 -1.707 -3.807 427 HA GLU 636 HA GLU 636 8.161 -1.536 -1.815 428 HB2 GLU 636 HB2 GLU 636 8.247 -4.008 -1.963 429 HB3 GLU 636 HB3 GLU 636 6.603 -3.395 -1.954 430 HG2 GLU 636 HG2 GLU 636 6.447 -4.996 -3.573 431 HG3 GLU 636 HG3 GLU 636 6.833 -3.591 -4.554 432 H GLY 637 H GLY 637 8.544 -2.079 -5.279 433 HA2 GLY 637 HA2 GLY 637 11.329 -2.831 -5.130 434 HA3 GLY 637 HA3 GLY 637 10.412 -2.499 -6.591 435 H ASP 638 H ASP 638 9.593 0.141 -5.255 436 HA ASP 638 HA ASP 638 11.815 1.715 -6.252 437 HB2 ASP 638 HB2 ASP 638 9.033 2.369 -5.288 438 HB3 ASP 638 HB3 ASP 638 10.214 3.636 -5.595 439 H MET 639 H MET 639 10.648 0.589 -3.205 440 HA MET 639 HA MET 639 11.851 2.573 -1.532 441 HB2 MET 639 HB2 MET 639 11.002 -0.258 -0.869 442 HB3 MET 639 HB3 MET 639 11.460 0.975 0.307 443 HG2 MET 639 HG2 MET 639 9.571 2.353 -0.683 444 HG3 MET 639 HG3 MET 639 9.057 0.876 -1.468 445 HE1 MET 639 HE1 MET 639 10.073 -1.167 0.952 446 HE2 MET 639 HE2 MET 639 8.702 -1.369 -0.142 447 HE3 MET 639 HE3 MET 639 8.457 -1.468 1.603 448 H TYR 640 H TYR 640 13.079 -0.139 -3.243 449 HA TYR 640 HA TYR 640 15.268 -0.754 -1.481 450 HB2 TYR 640 HB2 TYR 640 15.265 -2.650 -2.668 451 HB3 TYR 640 HB3 TYR 640 13.983 -1.982 -3.682 452 HD1 TYR 640 HD1 TYR 640 17.710 -1.661 -3.346 453 HD2 TYR 640 HD2 TYR 640 14.360 -2.033 -5.948 454 HE1 TYR 640 HE1 TYR 640 19.222 -1.693 -5.286 455 HE2 TYR 640 HE2 TYR 640 15.864 -2.068 -7.888 456 HH TYR 640 HH TYR 640 18.125 -1.328 -8.476 457 H GLU 641 H GLU 641 14.800 1.247 -4.328 458 HA GLU 641 HA GLU 641 17.643 1.764 -4.657 459 HB2 GLU 641 HB2 GLU 641 15.196 2.706 -6.147 460 HB3 GLU 641 HB3 GLU 641 16.796 3.328 -6.483 461 HG2 GLU 641 HG2 GLU 641 16.584 0.408 -6.484 462 HG3 GLU 641 HG3 GLU 641 15.683 1.243 -7.741 463 H SER 642 H SER 642 14.948 3.183 -3.043 464 HA SER 642 HA SER 642 16.107 5.853 -2.952 465 HB2 SER 642 HB2 SER 642 13.537 4.810 -1.733 466 HB3 SER 642 HB3 SER 642 14.025 6.504 -1.835 467 HG SER 642 HG SER 642 14.064 6.168 -4.167 468 H ALA 643 H ALA 643 15.262 3.250 -0.675 469 HA ALA 643 HA ALA 643 16.463 4.679 1.558 470 HB1 ALA 643 HB1 ALA 643 15.641 2.778 2.890 471 HB2 ALA 643 HB2 ALA 643 15.073 2.015 1.404 472 HB3 ALA 643 HB3 ALA 643 14.375 3.544 1.933 473 H ASN 644 H ASN 644 18.017 3.599 2.988 474 HA ASN 644 HA ASN 644 19.913 1.880 1.515 475 HB2 ASN 644 HB2 ASN 644 20.488 4.132 3.460 476 HB3 ASN 644 HB3 ASN 644 21.711 3.023 2.854 477 HD21 ASN 644 HD21 ASN 644 20.193 5.947 2.393 478 HD22 ASN 644 HD22 ASN 644 20.700 6.266 0.771 479 H SER 645 H SER 645 18.040 2.288 4.369 480 HA SER 645 HA SER 645 19.324 -0.053 5.618 481 HB2 SER 645 HB2 SER 645 19.171 0.953 7.810 482 HB3 SER 645 HB3 SER 645 20.005 2.092 6.753 483 HG SER 645 HG SER 645 17.311 2.175 7.626 484 H ARG 646 H ARG 646 17.905 -1.188 7.170 485 HA ARG 646 HA ARG 646 15.393 -1.730 5.960 486 HB2 ARG 646 HB2 ARG 646 15.438 -3.644 7.125 487 HB3 ARG 646 HB3 ARG 646 17.081 -3.170 7.529 488 HG2 ARG 646 HG2 ARG 646 16.223 -2.122 9.603 489 HG3 ARG 646 HG3 ARG 646 14.616 -2.730 9.205 490 HD2 ARG 646 HD2 ARG 646 15.432 -5.018 9.303 491 HD3 ARG 646 HD3 ARG 646 17.067 -4.444 9.605 492 HE ARG 646 HE ARG 646 14.928 -4.678 11.514 493 HH11 ARG 646 HH11 ARG 646 17.957 -3.027 10.837 494 HH12 ARG 646 HH12 ARG 646 18.274 -2.686 12.504 495 HH21 ARG 646 HH21 ARG 646 15.369 -4.219 13.690 496 HH22 ARG 646 HH22 ARG 646 16.810 -3.359 14.116 497 H ASP 647 H ASP 647 16.279 0.423 8.502 498 HA ASP 647 HA ASP 647 13.634 0.601 9.658 499 HB2 ASP 647 HB2 ASP 647 16.106 2.324 10.012 500 HB3 ASP 647 HB3 ASP 647 14.618 2.526 10.925 501 H GLU 648 H GLU 648 15.494 2.263 7.193 502 HA GLU 648 HA GLU 648 13.500 4.340 6.818 503 HB2 GLU 648 HB2 GLU 648 16.024 3.678 5.277 504 HB3 GLU 648 HB3 GLU 648 14.991 5.059 4.945 505 HG2 GLU 648 HG2 GLU 648 16.513 4.562 7.499 506 HG3 GLU 648 HG3 GLU 648 16.967 5.694 6.224 507 H TYR 649 H TYR 649 14.720 1.501 5.063 508 HA TYR 649 HA TYR 649 13.135 1.603 2.783 509 HB2 TYR 649 HB2 TYR 649 15.049 0.138 2.936 510 HB3 TYR 649 HB3 TYR 649 14.353 -0.725 4.288 511 HD1 TYR 649 HD1 TYR 649 14.108 -0.157 0.658 512 HD2 TYR 649 HD2 TYR 649 12.929 -2.623 3.920 513 HE1 TYR 649 HE1 TYR 649 13.243 -1.809 -0.919 514 HE2 TYR 649 HE2 TYR 649 12.055 -4.293 2.339 515 HH TYR 649 HH TYR 649 12.734 -4.213 -0.989 516 H TYR 650 H TYR 650 12.483 -0.268 5.759 517 HA TYR 650 HA TYR 650 9.833 -0.970 5.177 518 HB2 TYR 650 HB2 TYR 650 11.159 -0.564 7.862 519 HB3 TYR 650 HB3 TYR 650 9.631 -1.393 7.612 520 HD1 TYR 650 HD1 TYR 650 11.047 -2.533 4.852 521 HD2 TYR 650 HD2 TYR 650 11.819 -2.721 9.037 522 HE1 TYR 650 HE1 TYR 650 12.256 -4.636 4.529 523 HE2 TYR 650 HE2 TYR 650 13.021 -4.839 8.720 524 HH TYR 650 HH TYR 650 13.111 -6.682 7.111 525 H HIS 651 H HIS 651 11.083 2.116 5.944 526 HA HIS 651 HA HIS 651 8.737 3.086 7.336 527 HB2 HIS 651 HB2 HIS 651 11.381 3.827 7.366 528 HB3 HIS 651 HB3 HIS 651 10.658 5.097 6.388 529 HD1 HIS 651 HD1 HIS 651 10.654 3.685 9.864 530 HD2 HIS 651 HD2 HIS 651 9.028 6.894 7.780 531 HE1 HIS 651 HE1 HIS 651 9.681 5.203 11.617 532 HE2 HIS 651 HE2 HIS 651 8.638 7.099 10.329 533 H LEU 652 H LEU 652 10.182 3.601 4.076 534 HA LEU 652 HA LEU 652 8.363 5.513 3.162 535 HB2 LEU 652 HB2 LEU 652 9.849 3.375 1.664 536 HB3 LEU 652 HB3 LEU 652 8.926 4.616 0.878 537 HG LEU 652 HG LEU 652 11.354 5.109 2.589 538 HD11 LEU 652 HD11 LEU 652 12.648 5.460 0.627 539 HD12 LEU 652 HD12 LEU 652 11.246 5.200 -0.405 540 HD13 LEU 652 HD13 LEU 652 11.907 3.862 0.535 541 HD21 LEU 652 HD21 LEU 652 11.351 7.352 1.679 542 HD22 LEU 652 HD22 LEU 652 9.852 7.002 2.540 543 HD23 LEU 652 HD23 LEU 652 9.877 6.991 0.775 544 H LEU 653 H LEU 653 7.936 2.100 3.631 545 HA LEU 653 HA LEU 653 5.504 1.939 2.045 546 HB2 LEU 653 HB2 LEU 653 7.001 0.005 2.125 547 HB3 LEU 653 HB3 LEU 653 6.829 -0.072 3.863 548 HG LEU 653 HG LEU 653 4.225 -0.260 2.700 549 HD11 LEU 653 HD11 LEU 653 5.195 -0.966 0.666 550 HD12 LEU 653 HD12 LEU 653 4.584 -2.401 1.493 551 HD13 LEU 653 HD13 LEU 653 6.314 -2.038 1.504 552 HD21 LEU 653 HD21 LEU 653 4.028 -2.179 3.971 553 HD22 LEU 653 HD22 LEU 653 5.156 -1.181 4.891 554 HD23 LEU 653 HD23 LEU 653 5.759 -2.519 3.911 555 H ALA 654 H ALA 654 6.504 2.127 5.415 556 HA ALA 654 HA ALA 654 3.911 1.831 6.573 557 HB1 ALA 654 HB1 ALA 654 4.948 2.561 8.631 558 HB2 ALA 654 HB2 ALA 654 6.368 3.123 7.748 559 HB3 ALA 654 HB3 ALA 654 5.993 1.401 7.810 560 H GLU 655 H GLU 655 5.630 4.452 5.108 561 HA GLU 655 HA GLU 655 4.101 6.572 6.278 562 HB2 GLU 655 HB2 GLU 655 6.032 6.456 3.975 563 HB3 GLU 655 HB3 GLU 655 5.124 7.919 4.328 564 HG2 GLU 655 HG2 GLU 655 6.113 8.024 6.544 565 HG3 GLU 655 HG3 GLU 655 6.981 6.516 6.240 566 H LYS 656 H LYS 656 3.878 4.776 3.210 567 HA LYS 656 HA LYS 656 1.618 6.248 2.249 568 HB2 LYS 656 HB2 LYS 656 2.570 3.465 1.573 569 HB3 LYS 656 HB3 LYS 656 1.191 4.211 0.812 570 HG2 LYS 656 HG2 LYS 656 2.657 5.983 -0.080 571 HG3 LYS 656 HG3 LYS 656 4.049 5.163 0.631 572 HD2 LYS 656 HD2 LYS 656 3.721 3.252 -0.790 573 HD3 LYS 656 HD3 LYS 656 2.186 3.893 -1.382 574 HE2 LYS 656 HE2 LYS 656 4.058 4.189 -2.979 575 HE3 LYS 656 HE3 LYS 656 3.312 5.709 -2.486 576 HZ1 LYS 656 HZ1 LYS 656 5.724 5.861 -2.501 577 HZ2 LYS 656 HZ2 LYS 656 5.837 4.592 -1.388 578 HZ3 LYS 656 HZ3 LYS 656 5.124 6.056 -0.930 579 H ILE 657 H ILE 657 2.128 3.735 4.532 580 HA ILE 657 HA ILE 657 -0.520 2.640 4.569 581 HB ILE 657 HB ILE 657 1.983 2.298 6.156 582 HG12 ILE 657 HG12 ILE 657 0.012 0.341 4.953 583 HG13 ILE 657 HG13 ILE 657 1.468 0.927 4.171 584 HG21 ILE 657 HG21 ILE 657 1.046 1.052 7.949 585 HG22 ILE 657 HG22 ILE 657 -0.576 1.164 7.267 586 HG23 ILE 657 HG23 ILE 657 0.208 2.610 7.908 587 HD11 ILE 657 HD11 ILE 657 1.413 -0.728 6.693 588 HD12 ILE 657 HD12 ILE 657 2.845 -0.240 5.783 589 HD13 ILE 657 HD13 ILE 657 1.686 -1.362 5.071 590 H TYR 658 H TYR 658 1.104 5.296 6.152 591 HA TYR 658 HA TYR 658 -0.953 5.648 8.147 592 HB2 TYR 658 HB2 TYR 658 1.516 7.233 7.438 593 HB3 TYR 658 HB3 TYR 658 0.393 7.739 8.686 594 HD1 TYR 658 HD1 TYR 658 3.485 6.641 8.558 595 HD2 TYR 658 HD2 TYR 658 -0.244 5.205 10.030 596 HE1 TYR 658 HE1 TYR 658 4.672 5.252 10.201 597 HE2 TYR 658 HE2 TYR 658 0.938 3.811 11.675 598 HH TYR 658 HH TYR 658 3.149 2.792 11.977 599 H LYS 659 H LYS 659 -0.061 7.019 5.038 600 HA LYS 659 HA LYS 659 -1.782 9.314 5.219 601 HB2 LYS 659 HB2 LYS 659 0.266 9.358 3.870 602 HB3 LYS 659 HB3 LYS 659 -0.406 8.149 2.800 603 HG2 LYS 659 HG2 LYS 659 -2.107 9.700 2.055 604 HG3 LYS 659 HG3 LYS 659 -1.566 10.905 3.211 605 HD2 LYS 659 HD2 LYS 659 0.579 11.090 2.011 606 HD3 LYS 659 HD3 LYS 659 0.046 9.860 0.872 607 HE2 LYS 659 HE2 LYS 659 -1.777 11.349 0.154 608 HE3 LYS 659 HE3 LYS 659 -1.203 12.559 1.290 609 HZ1 LYS 659 HZ1 LYS 659 -0.423 13.022 -0.944 610 HZ2 LYS 659 HZ2 LYS 659 0.322 11.507 -1.029 611 HZ3 LYS 659 HZ3 LYS 659 0.885 12.665 0.068 612 H ILE 660 H ILE 660 -2.088 6.081 3.915 613 HA ILE 660 HA ILE 660 -4.556 6.599 2.516 614 HB ILE 660 HB ILE 660 -3.149 4.014 3.248 615 HG12 ILE 660 HG12 ILE 660 -3.692 5.230 0.528 616 HG13 ILE 660 HG13 ILE 660 -2.224 5.552 1.437 617 HG21 ILE 660 HG21 ILE 660 -5.694 4.337 1.643 618 HG22 ILE 660 HG22 ILE 660 -5.565 3.608 3.246 619 HG23 ILE 660 HG23 ILE 660 -4.797 2.837 1.859 620 HD11 ILE 660 HD11 ILE 660 -3.128 2.958 0.220 621 HD12 ILE 660 HD12 ILE 660 -1.820 3.046 1.409 622 HD13 ILE 660 HD13 ILE 660 -1.672 3.890 -0.135 623 H GLN 661 H GLN 661 -3.599 5.522 5.690 624 HA GLN 661 HA GLN 661 -6.167 4.878 6.713 625 HB2 GLN 661 HB2 GLN 661 -3.504 5.515 7.919 626 HB3 GLN 661 HB3 GLN 661 -4.922 5.394 8.946 627 HG2 GLN 661 HG2 GLN 661 -5.261 3.114 8.330 628 HG3 GLN 661 HG3 GLN 661 -4.049 3.210 7.077 629 HE21 GLN 661 HE21 GLN 661 -3.719 1.138 8.640 630 HE22 GLN 661 HE22 GLN 661 -2.463 1.392 9.794 631 H LYS 662 H LYS 662 -4.596 7.876 6.047 632 HA LYS 662 HA LYS 662 -6.138 9.515 7.857 633 HB2 LYS 662 HB2 LYS 662 -3.903 10.222 7.119 634 HB3 LYS 662 HB3 LYS 662 -4.479 10.297 5.469 635 HG2 LYS 662 HG2 LYS 662 -5.975 12.138 6.073 636 HG3 LYS 662 HG3 LYS 662 -5.408 12.064 7.724 637 HD2 LYS 662 HD2 LYS 662 -3.180 12.718 6.983 638 HD3 LYS 662 HD3 LYS 662 -3.717 12.742 5.312 639 HE2 LYS 662 HE2 LYS 662 -5.325 14.484 5.913 640 HE3 LYS 662 HE3 LYS 662 -4.676 14.511 7.537 641 HZ1 LYS 662 HZ1 LYS 662 -3.153 15.150 5.070 642 HZ2 LYS 662 HZ2 LYS 662 -2.531 15.168 6.643 643 HZ3 LYS 662 HZ3 LYS 662 -3.725 16.279 6.192 644 H GLU 663 H GLU 663 -6.313 8.675 4.412 645 HA GLU 663 HA GLU 663 -8.261 10.599 3.715 646 HB2 GLU 663 HB2 GLU 663 -7.316 8.108 2.313 647 HB3 GLU 663 HB3 GLU 663 -8.427 9.253 1.615 648 HG2 GLU 663 HG2 GLU 663 -5.574 9.787 2.373 649 HG3 GLU 663 HG3 GLU 663 -6.230 9.620 0.748 650 H LEU 664 H LEU 664 -8.523 7.132 4.441 651 HA LEU 664 HA LEU 664 -11.291 6.832 4.191 652 HB2 LEU 664 HB2 LEU 664 -9.311 5.452 6.000 653 HB3 LEU 664 HB3 LEU 664 -11.002 5.021 5.990 654 HG LEU 664 HG LEU 664 -9.130 4.770 3.627 655 HD11 LEU 664 HD11 LEU 664 -10.249 2.567 5.347 656 HD12 LEU 664 HD12 LEU 664 -8.607 3.203 5.458 657 HD13 LEU 664 HD13 LEU 664 -9.144 2.403 3.981 658 HD21 LEU 664 HD21 LEU 664 -11.551 5.138 3.075 659 HD22 LEU 664 HD22 LEU 664 -11.881 3.606 3.887 660 HD23 LEU 664 HD23 LEU 664 -10.844 3.640 2.465 661 H GLU 665 H GLU 665 -9.501 8.514 6.634 662 HA GLU 665 HA GLU 665 -11.699 8.593 8.536 663 HB2 GLU 665 HB2 GLU 665 -8.989 9.928 8.516 664 HB3 GLU 665 HB3 GLU 665 -10.184 10.169 9.781 665 HG2 GLU 665 HG2 GLU 665 -8.960 7.521 9.036 666 HG3 GLU 665 HG3 GLU 665 -8.465 8.528 10.395 667 H GLU 666 H GLU 666 -10.627 10.402 5.824 668 HA GLU 666 HA GLU 666 -11.838 12.910 6.507 669 HB2 GLU 666 HB2 GLU 666 -10.854 11.775 3.887 670 HB3 GLU 666 HB3 GLU 666 -11.527 13.391 4.041 671 HG2 GLU 666 HG2 GLU 666 -9.079 12.358 5.456 672 HG3 GLU 666 HG3 GLU 666 -9.091 13.422 4.054 673 H LYS 667 H LYS 667 -12.938 9.953 5.056 674 HA LYS 667 HA LYS 667 -15.446 11.065 4.136 675 HB2 LYS 667 HB2 LYS 667 -14.527 8.208 4.229 676 HB3 LYS 667 HB3 LYS 667 -15.997 8.773 3.458 677 HG2 LYS 667 HG2 LYS 667 -13.197 9.545 2.661 678 HG3 LYS 667 HG3 LYS 667 -14.200 8.330 1.882 679 HD2 LYS 667 HD2 LYS 667 -15.818 10.072 1.248 680 HD3 LYS 667 HD3 LYS 667 -14.851 11.277 2.077 681 HE2 LYS 667 HE2 LYS 667 -13.995 9.673 -0.317 682 HE3 LYS 667 HE3 LYS 667 -14.550 11.343 -0.359 683 HZ1 LYS 667 HZ1 LYS 667 -12.141 10.393 1.102 684 HZ2 LYS 667 HZ2 LYS 667 -12.634 12.000 0.911 685 HZ3 LYS 667 HZ3 LYS 667 -12.113 11.113 -0.428 686 H ARG 668 H ARG 668 -14.180 9.634 6.972 687 HA ARG 668 HA ARG 668 -16.736 8.871 8.097 688 HB2 ARG 668 HB2 ARG 668 -13.922 8.769 9.160 689 HB3 ARG 668 HB3 ARG 668 -15.325 8.263 10.063 690 HG2 ARG 668 HG2 ARG 668 -15.796 6.549 8.367 691 HG3 ARG 668 HG3 ARG 668 -14.344 7.053 7.502 692 HD2 ARG 668 HD2 ARG 668 -13.855 5.097 8.839 693 HD3 ARG 668 HD3 ARG 668 -12.997 6.497 9.482 694 HE ARG 668 HE ARG 668 -15.480 6.164 10.806 695 HH11 ARG 668 HH11 ARG 668 -12.260 4.754 10.686 696 HH12 ARG 668 HH12 ARG 668 -12.336 4.166 12.313 697 HH21 ARG 668 HH21 ARG 668 -15.550 5.385 12.932 698 HH22 ARG 668 HH22 ARG 668 -14.195 4.523 13.581 699 H ARG 669 H ARG 669 -14.570 11.584 8.187 700 HA ARG 669 HA ARG 669 -15.776 12.708 10.594 701 HB2 ARG 669 HB2 ARG 669 -13.493 13.608 8.833 702 HB3 ARG 669 HB3 ARG 669 -14.064 14.548 10.195 703 HG2 ARG 669 HG2 ARG 669 -13.473 12.737 11.715 704 HG3 ARG 669 HG3 ARG 669 -12.917 11.774 10.342 705 HD2 ARG 669 HD2 ARG 669 -11.285 13.447 9.794 706 HD3 ARG 669 HD3 ARG 669 -11.830 14.462 11.122 707 HE ARG 669 HE ARG 669 -11.128 12.497 12.576 708 HH11 ARG 669 HH11 ARG 669 -9.501 13.264 9.557 709 HH12 ARG 669 HH12 ARG 669 -7.995 12.572 10.061 710 HH21 ARG 669 HH21 ARG 669 -9.146 11.600 13.212 711 HH22 ARG 669 HH22 ARG 669 -7.794 11.632 12.129 712 H SER 670 H SER 670 -16.221 12.875 7.201 713 HA SER 670 HA SER 670 -17.238 15.606 7.229 714 HB2 SER 670 HB2 SER 670 -17.443 15.302 4.764 715 HB3 SER 670 HB3 SER 670 -15.812 15.052 5.378 716 HG SER 670 HG SER 670 -16.026 13.280 4.220 717 H ARG 671 H ARG 671 -18.465 12.308 6.759 718 HA ARG 671 HA ARG 671 -21.175 13.392 6.536 719 HB2 ARG 671 HB2 ARG 671 -20.334 12.128 4.565 720 HB3 ARG 671 HB3 ARG 671 -20.265 10.713 5.604 721 HG2 ARG 671 HG2 ARG 671 -22.597 10.660 5.881 722 HG3 ARG 671 HG3 ARG 671 -22.780 12.240 5.138 723 HD2 ARG 671 HD2 ARG 671 -23.401 10.453 3.608 724 HD3 ARG 671 HD3 ARG 671 -22.011 11.371 3.053 725 HE ARG 671 HE ARG 671 -21.153 9.108 4.506 726 HH11 ARG 671 HH11 ARG 671 -22.540 9.922 1.380 727 HH12 ARG 671 HH12 ARG 671 -21.858 8.541 0.590 728 HH21 ARG 671 HH21 ARG 671 -20.271 7.309 3.449 729 HH22 ARG 671 HH22 ARG 671 -20.573 7.063 1.761 730 H LEU 672 H LEU 672 -19.984 10.216 7.404 731 HA LEU 672 HA LEU 672 -21.751 10.234 9.753 732 HB2 LEU 672 HB2 LEU 672 -20.669 7.862 8.220 733 HB3 LEU 672 HB3 LEU 672 -21.711 7.767 9.621 734 HG LEU 672 HG LEU 672 -22.514 9.005 6.982 735 HD11 LEU 672 HD11 LEU 672 -23.079 6.263 8.099 736 HD12 LEU 672 HD12 LEU 672 -22.267 6.671 6.586 737 HD13 LEU 672 HD13 LEU 672 -23.986 6.995 6.777 738 HD21 LEU 672 HD21 LEU 672 -24.116 8.318 9.437 739 HD22 LEU 672 HD22 LEU 672 -24.773 8.923 7.916 740 HD23 LEU 672 HD23 LEU 672 -23.700 9.939 8.880 741 H1 GLY 519 H1 GLY 519 1.461 -18.491 -21.293 742 H2 GLY 519 H2 GLY 519 0.843 -16.996 -21.786 743 H3 GLY 519 H3 GLY 519 -0.187 -18.329 -21.638 744 HA2 GLY 519 HA2 GLY 519 0.191 -18.397 -19.251 745 HA3 GLY 519 HA3 GLY 519 1.258 -17.009 -19.405 746 H SER 520 H SER 520 0.314 -15.269 -18.612 747 HA SER 520 HA SER 520 -2.529 -14.785 -19.226 748 HB2 SER 520 HB2 SER 520 -2.396 -15.187 -16.874 749 HB3 SER 520 HB3 SER 520 -0.969 -14.165 -16.711 750 HG SER 520 HG SER 520 -3.075 -12.827 -17.796 751 HA PRO 521 HA PRO 521 -0.944 -11.092 -21.248 752 HB2 PRO 521 HB2 PRO 521 -3.309 -9.802 -21.669 753 HB3 PRO 521 HB3 PRO 521 -2.779 -11.183 -22.625 754 HG2 PRO 521 HG2 PRO 521 -4.661 -11.111 -20.397 755 HG3 PRO 521 HG3 PRO 521 -4.764 -11.954 -21.792 756 HD2 PRO 521 HD2 PRO 521 -4.058 -13.054 -19.576 757 HD3 PRO 521 HD3 PRO 521 -3.537 -13.604 -21.023 758 H GLY 522 H GLY 522 -0.184 -9.154 -20.610 759 HA2 GLY 522 HA2 GLY 522 -1.544 -7.532 -18.636 760 HA3 GLY 522 HA3 GLY 522 -0.054 -8.263 -18.062 761 H TYR 523 H TYR 523 -0.787 -5.437 -18.478 762 HA TYR 523 HA TYR 523 1.205 -4.668 -20.505 763 HB2 TYR 523 HB2 TYR 523 -1.067 -3.050 -19.316 764 HB3 TYR 523 HB3 TYR 523 0.083 -2.449 -20.503 765 HD1 TYR 523 HD1 TYR 523 -2.814 -4.648 -19.960 766 HD2 TYR 523 HD2 TYR 523 -0.093 -3.087 -22.838 767 HE1 TYR 523 HE1 TYR 523 -4.288 -5.424 -21.769 768 HE2 TYR 523 HE2 TYR 523 -1.561 -3.859 -24.652 769 HH TYR 523 HH TYR 523 -4.746 -4.890 -24.128 770 HA PRO 524 HA PRO 524 3.538 -3.707 -16.616 771 HB2 PRO 524 HB2 PRO 524 5.991 -3.608 -17.742 772 HB3 PRO 524 HB3 PRO 524 5.218 -5.136 -17.310 773 HG2 PRO 524 HG2 PRO 524 5.308 -3.855 -19.964 774 HG3 PRO 524 HG3 PRO 524 5.657 -5.406 -19.587 775 HD2 PRO 524 HD2 PRO 524 3.214 -4.864 -20.467 776 HD3 PRO 524 HD3 PRO 524 3.367 -5.953 -19.259 777 H ASN 525 H ASN 525 4.859 -1.894 -15.964 778 HA ASN 525 HA ASN 525 5.417 0.288 -15.770 779 HB2 ASN 525 HB2 ASN 525 5.506 0.184 -18.798 780 HB3 ASN 525 HB3 ASN 525 6.034 1.566 -17.850 781 HD21 ASN 525 HD21 ASN 525 7.581 -0.004 -19.678 782 HD22 ASN 525 HD22 ASN 525 8.886 -0.696 -18.782 783 H GLY 526 H GLY 526 4.117 1.776 -15.014 784 HA2 GLY 526 HA2 GLY 526 2.286 3.268 -16.562 785 HA3 GLY 526 HA3 GLY 526 1.412 2.049 -15.653 786 H LEU 527 H LEU 527 4.215 4.077 -14.832 787 HA LEU 527 HA LEU 527 2.678 5.169 -12.582 788 HB2 LEU 527 HB2 LEU 527 5.623 4.511 -12.541 789 HB3 LEU 527 HB3 LEU 527 4.738 5.245 -11.233 790 HG LEU 527 HG LEU 527 3.958 2.505 -12.168 791 HD11 LEU 527 HD11 LEU 527 5.562 1.472 -10.671 792 HD12 LEU 527 HD12 LEU 527 6.272 3.051 -10.336 793 HD13 LEU 527 HD13 LEU 527 6.362 2.372 -11.959 794 HD21 LEU 527 HD21 LEU 527 3.893 3.913 -9.512 795 HD22 LEU 527 HD22 LEU 527 3.501 2.206 -9.731 796 HD23 LEU 527 HD23 LEU 527 2.524 3.444 -10.521 797 H LEU 528 H LEU 528 3.014 6.317 -15.236 798 HA LEU 528 HA LEU 528 4.898 8.467 -15.047 799 HB2 LEU 528 HB2 LEU 528 2.616 7.894 -16.944 800 HB3 LEU 528 HB3 LEU 528 3.618 9.320 -17.087 801 HG LEU 528 HG LEU 528 4.640 6.476 -17.300 802 HD11 LEU 528 HD11 LEU 528 3.184 6.997 -19.163 803 HD12 LEU 528 HD12 LEU 528 4.865 6.986 -19.700 804 HD13 LEU 528 HD13 LEU 528 4.034 8.518 -19.434 805 HD21 LEU 528 HD21 LEU 528 6.681 7.498 -18.163 806 HD22 LEU 528 HD22 LEU 528 6.344 8.071 -16.529 807 HD23 LEU 528 HD23 LEU 528 5.997 9.106 -17.916 808 H SER 529 H SER 529 4.365 9.342 -13.017 809 HA SER 529 HA SER 529 3.486 10.826 -11.557 810 HB2 SER 529 HB2 SER 529 3.612 12.414 -13.464 811 HB3 SER 529 HB3 SER 529 1.961 11.985 -13.905 812 HG SER 529 HG SER 529 2.310 12.723 -11.272 813 H GLY 530 H GLY 530 2.385 9.491 -10.240 814 HA2 GLY 530 HA2 GLY 530 -0.392 9.732 -9.980 815 HA3 GLY 530 HA3 GLY 530 -0.059 8.230 -10.806 816 H ASP 531 H ASP 531 0.392 10.034 -7.920 817 HA ASP 531 HA ASP 531 0.715 7.558 -6.385 818 HB2 ASP 531 HB2 ASP 531 2.927 8.856 -6.779 819 HB3 ASP 531 HB3 ASP 531 2.274 10.030 -5.643 820 H GLU 532 H GLU 532 -0.820 10.484 -6.840 821 HA GLU 532 HA GLU 532 -2.015 10.456 -4.175 822 HB2 GLU 532 HB2 GLU 532 -1.529 12.742 -6.064 823 HB3 GLU 532 HB3 GLU 532 -2.492 12.869 -4.620 824 HG2 GLU 532 HG2 GLU 532 -0.228 11.856 -3.598 825 HG3 GLU 532 HG3 GLU 532 0.420 12.757 -4.963 826 H ASP 533 H ASP 533 -2.560 9.675 -7.255 827 HA ASP 533 HA ASP 533 -5.279 10.692 -7.529 828 HB2 ASP 533 HB2 ASP 533 -3.531 9.114 -9.436 829 HB3 ASP 533 HB3 ASP 533 -5.140 9.710 -9.819 830 H PHE 534 H PHE 534 -3.817 7.929 -6.240 831 HA PHE 534 HA PHE 534 -5.848 6.053 -7.056 832 HB2 PHE 534 HB2 PHE 534 -3.408 5.851 -5.328 833 HB3 PHE 534 HB3 PHE 534 -4.617 4.583 -5.266 834 HD1 PHE 534 HD1 PHE 534 -2.104 6.237 -7.392 835 HD2 PHE 534 HD2 PHE 534 -4.844 2.999 -7.038 836 HE1 PHE 534 HE1 PHE 534 -1.067 5.141 -9.338 837 HE2 PHE 534 HE2 PHE 534 -3.830 1.907 -8.967 838 HZ PHE 534 HZ PHE 534 -1.923 2.973 -10.127 839 H SER 535 H SER 535 -5.618 8.402 -4.697 840 HA SER 535 HA SER 535 -7.043 7.254 -2.533 841 HB2 SER 535 HB2 SER 535 -7.333 9.570 -1.756 842 HB3 SER 535 HB3 SER 535 -5.678 9.285 -2.287 843 HG SER 535 HG SER 535 -7.145 10.134 -4.359 844 H SER 536 H SER 536 -8.047 8.512 -5.579 845 HA SER 536 HA SER 536 -10.843 8.755 -4.885 846 HB2 SER 536 HB2 SER 536 -11.169 9.344 -7.209 847 HB3 SER 536 HB3 SER 536 -9.795 10.217 -6.558 848 HG SER 536 HG SER 536 -9.200 7.785 -7.714 849 H ILE 537 H ILE 537 -8.675 6.380 -6.108 850 HA ILE 537 HA ILE 537 -10.753 4.628 -7.119 851 HB ILE 537 HB ILE 537 -7.752 4.286 -6.907 852 HG12 ILE 537 HG12 ILE 537 -9.462 4.520 -9.402 853 HG13 ILE 537 HG13 ILE 537 -8.621 5.870 -8.663 854 HG21 ILE 537 HG21 ILE 537 -8.750 2.087 -6.649 855 HG22 ILE 537 HG22 ILE 537 -7.932 2.221 -8.205 856 HG23 ILE 537 HG23 ILE 537 -9.692 2.320 -8.122 857 HD11 ILE 537 HD11 ILE 537 -7.340 3.430 -9.894 858 HD12 ILE 537 HD12 ILE 537 -6.473 4.758 -9.126 859 HD13 ILE 537 HD13 ILE 537 -7.407 5.049 -10.593 860 H ALA 538 H ALA 538 -8.805 4.986 -4.226 861 HA ALA 538 HA ALA 538 -9.424 2.355 -3.270 862 HB1 ALA 538 HB1 ALA 538 -7.242 3.372 -2.789 863 HB2 ALA 538 HB2 ALA 538 -8.094 2.916 -1.314 864 HB3 ALA 538 HB3 ALA 538 -8.048 4.605 -1.820 865 H ASP 539 H ASP 539 -10.999 5.261 -3.215 866 HA ASP 539 HA ASP 539 -12.635 4.550 -0.891 867 HB2 ASP 539 HB2 ASP 539 -12.422 7.095 -2.517 868 HB3 ASP 539 HB3 ASP 539 -13.683 6.847 -1.311 869 H MET 540 H MET 540 -12.538 4.288 -4.250 870 HA MET 540 HA MET 540 -15.396 3.799 -4.535 871 HB2 MET 540 HB2 MET 540 -13.119 3.785 -6.489 872 HB3 MET 540 HB3 MET 540 -14.747 3.265 -6.915 873 HG2 MET 540 HG2 MET 540 -15.637 5.449 -6.453 874 HG3 MET 540 HG3 MET 540 -14.089 5.993 -5.815 875 HE1 MET 540 HE1 MET 540 -15.027 3.904 -9.012 876 HE2 MET 540 HE2 MET 540 -14.974 5.148 -10.263 877 HE3 MET 540 HE3 MET 540 -16.205 5.214 -9.001 878 H ASP 541 H ASP 541 -12.394 2.131 -4.162 879 HA ASP 541 HA ASP 541 -13.465 -0.458 -4.911 880 HB2 ASP 541 HB2 ASP 541 -10.741 0.524 -4.103 881 HB3 ASP 541 HB3 ASP 541 -11.099 -1.190 -4.233 882 H PHE 542 H PHE 542 -13.054 1.421 -2.031 883 HA PHE 542 HA PHE 542 -12.873 -0.740 -0.160 884 HB2 PHE 542 HB2 PHE 542 -12.129 1.588 0.318 885 HB3 PHE 542 HB3 PHE 542 -13.810 2.103 0.300 886 HD1 PHE 542 HD1 PHE 542 -11.477 -0.216 2.054 887 HD2 PHE 542 HD2 PHE 542 -15.043 2.105 2.262 888 HE1 PHE 542 HE1 PHE 542 -11.666 -0.725 4.453 889 HE2 PHE 542 HE2 PHE 542 -15.235 1.600 4.661 890 HZ PHE 542 HZ PHE 542 -13.544 0.185 5.760 891 H SER 543 H SER 543 -15.509 0.902 -1.753 892 HA SER 543 HA SER 543 -17.575 -0.151 -0.032 893 HB2 SER 543 HB2 SER 543 -19.129 0.933 -1.575 894 HB3 SER 543 HB3 SER 543 -17.824 2.035 -1.144 895 HG SER 543 HG SER 543 -17.641 2.235 -3.232 896 H ALA 544 H ALA 544 -15.924 -1.166 -2.898 897 HA ALA 544 HA ALA 544 -17.949 -3.053 -3.743 898 HB1 ALA 544 HB1 ALA 544 -16.398 -3.629 -5.519 899 HB2 ALA 544 HB2 ALA 544 -15.130 -2.682 -4.742 900 HB3 ALA 544 HB3 ALA 544 -16.561 -1.877 -5.387 901 H LEU 545 H LEU 545 -15.172 -3.076 -1.681 902 HA LEU 545 HA LEU 545 -14.747 -5.927 -1.766 903 HB2 LEU 545 HB2 LEU 545 -13.620 -3.764 -0.005 904 HB3 LEU 545 HB3 LEU 545 -13.126 -5.434 0.054 905 HG LEU 545 HG LEU 545 -12.838 -3.719 -2.404 906 HD11 LEU 545 HD11 LEU 545 -10.431 -3.664 -1.828 907 HD12 LEU 545 HD12 LEU 545 -10.825 -4.362 -0.258 908 HD13 LEU 545 HD13 LEU 545 -11.441 -2.767 -0.697 909 HD21 LEU 545 HD21 LEU 545 -12.898 -6.107 -2.880 910 HD22 LEU 545 HD22 LEU 545 -11.657 -6.396 -1.660 911 HD23 LEU 545 HD23 LEU 545 -11.267 -5.476 -3.113 912 H LEU 546 H LEU 546 -16.763 -3.776 0.013 913 HA LEU 546 HA LEU 546 -17.141 -5.543 2.284 914 HB2 LEU 546 HB2 LEU 546 -18.580 -3.023 1.453 915 HB3 LEU 546 HB3 LEU 546 -18.930 -3.903 2.919 916 HG LEU 546 HG LEU 546 -16.269 -2.629 2.290 917 HD11 LEU 546 HD11 LEU 546 -18.523 -1.642 4.038 918 HD12 LEU 546 HD12 LEU 546 -18.006 -0.931 2.511 919 HD13 LEU 546 HD13 LEU 546 -16.927 -0.906 3.905 920 HD21 LEU 546 HD21 LEU 546 -16.106 -4.480 3.858 921 HD22 LEU 546 HD22 LEU 546 -17.397 -3.787 4.835 922 HD23 LEU 546 HD23 LEU 546 -15.853 -2.948 4.692 923 H SER 547 H SER 547 -18.640 -4.837 -0.748 924 HA SER 547 HA SER 547 -21.100 -6.233 -0.276 925 HB2 SER 547 HB2 SER 547 -21.566 -5.851 -2.621 926 HB3 SER 547 HB3 SER 547 -20.866 -4.386 -1.931 927 HG SER 547 HG SER 547 -20.035 -5.665 -4.042 928 H GLN 548 H GLN 548 -17.943 -7.285 -0.972 929 HA GLN 548 HA GLN 548 -18.476 -9.501 -2.662 930 HB2 GLN 548 HB2 GLN 548 -16.113 -8.898 -0.887 931 HB3 GLN 548 HB3 GLN 548 -16.178 -10.257 -1.995 932 HG2 GLN 548 HG2 GLN 548 -16.200 -7.339 -2.692 933 HG3 GLN 548 HG3 GLN 548 -14.927 -8.513 -3.023 934 HE21 GLN 548 HE21 GLN 548 -16.877 -6.724 -4.626 935 HE22 GLN 548 HE22 GLN 548 -17.428 -7.777 -5.880 936 H ILE 549 H ILE 549 -19.061 -9.075 0.620 937 HA ILE 549 HA ILE 549 -18.958 -11.958 1.178 938 HB ILE 549 HB ILE 549 -19.122 -9.688 3.169 939 HG12 ILE 549 HG12 ILE 549 -16.831 -11.626 2.719 940 HG13 ILE 549 HG13 ILE 549 -16.889 -10.020 2.007 941 HG21 ILE 549 HG21 ILE 549 -18.951 -12.667 3.623 942 HG22 ILE 549 HG22 ILE 549 -20.334 -11.629 3.967 943 HG23 ILE 549 HG23 ILE 549 -18.839 -11.436 4.881 944 HD11 ILE 549 HD11 ILE 549 -15.485 -10.065 3.990 945 HD12 ILE 549 HD12 ILE 549 -16.843 -10.641 4.957 946 HD13 ILE 549 HD13 ILE 549 -16.890 -9.030 4.241 947 H SER 550 H SER 550 -21.156 -9.303 0.831 948 HA SER 550 HA SER 550 -23.367 -10.793 2.031 949 HB2 SER 550 HB2 SER 550 -24.663 -8.712 1.755 950 HB3 SER 550 HB3 SER 550 -23.164 -8.428 2.638 951 HG SER 550 HG SER 550 -22.307 -7.438 0.884 952 H SER 551 H SER 551 -22.390 -9.440 -1.102 953 HA SER 551 HA SER 551 -24.542 -10.998 -2.372 954 HB2 SER 551 HB2 SER 551 -24.951 -8.645 -2.738 955 HB3 SER 551 HB3 SER 551 -23.291 -8.388 -3.269 956 HG SER 551 HG SER 551 -25.178 -10.051 -4.587 Start of MODEL 9 1 H1 GLY 586 H1 GLY 586 22.720 0.689 -8.691 2 H2 GLY 586 H2 GLY 586 21.175 0.524 -9.362 3 H3 GLY 586 H3 GLY 586 22.314 -0.712 -9.550 4 HA2 GLY 586 HA2 GLY 586 21.095 0.153 -6.984 5 HA3 GLY 586 HA3 GLY 586 20.672 -1.301 -7.875 6 H VAL 587 H VAL 587 22.669 0.048 -5.514 7 HA VAL 587 HA VAL 587 24.698 -2.022 -5.660 8 HB VAL 587 HB VAL 587 24.460 0.295 -3.751 9 HG11 VAL 587 HG11 VAL 587 26.747 -0.298 -3.044 10 HG12 VAL 587 HG12 VAL 587 26.652 -1.761 -4.025 11 HG13 VAL 587 HG13 VAL 587 25.571 -1.551 -2.645 12 HG21 VAL 587 HG21 VAL 587 25.017 0.956 -6.020 13 HG22 VAL 587 HG22 VAL 587 26.345 -0.198 -6.043 14 HG23 VAL 587 HG23 VAL 587 26.400 1.184 -4.949 15 H ARG 588 H ARG 588 25.011 -3.658 -4.231 16 HA ARG 588 HA ARG 588 22.733 -4.355 -2.543 17 HB2 ARG 588 HB2 ARG 588 25.127 -5.990 -3.414 18 HB3 ARG 588 HB3 ARG 588 23.849 -6.590 -2.372 19 HG2 ARG 588 HG2 ARG 588 22.243 -6.456 -4.135 20 HG3 ARG 588 HG3 ARG 588 23.363 -5.571 -5.167 21 HD2 ARG 588 HD2 ARG 588 24.803 -7.549 -5.304 22 HD3 ARG 588 HD3 ARG 588 23.701 -8.431 -4.249 23 HE ARG 588 HE ARG 588 22.136 -7.612 -6.333 24 HH11 ARG 588 HH11 ARG 588 25.084 -9.515 -6.119 25 HH12 ARG 588 HH12 ARG 588 24.727 -10.435 -7.544 26 HH21 ARG 588 HH21 ARG 588 21.696 -8.826 -8.192 27 HH22 ARG 588 HH22 ARG 588 22.810 -10.044 -8.714 28 H LYS 589 H LYS 589 22.742 -4.092 -0.422 29 HA LYS 589 HA LYS 589 25.314 -3.845 0.970 30 HB2 LYS 589 HB2 LYS 589 22.817 -2.238 1.538 31 HB3 LYS 589 HB3 LYS 589 24.254 -2.225 2.541 32 HG2 LYS 589 HG2 LYS 589 25.519 -1.266 0.725 33 HG3 LYS 589 HG3 LYS 589 24.144 -1.323 -0.340 34 HD2 LYS 589 HD2 LYS 589 23.021 0.282 1.123 35 HD3 LYS 589 HD3 LYS 589 24.436 0.325 2.171 36 HE2 LYS 589 HE2 LYS 589 25.781 1.076 0.296 37 HE3 LYS 589 HE3 LYS 589 24.349 1.145 -0.725 38 HZ1 LYS 589 HZ1 LYS 589 23.411 2.806 0.765 39 HZ2 LYS 589 HZ2 LYS 589 24.897 3.330 0.152 40 HZ3 LYS 589 HZ3 LYS 589 24.795 2.751 1.738 41 H GLY 590 H GLY 590 24.430 -3.817 3.624 42 HA2 GLY 590 HA2 GLY 590 23.978 -6.481 4.278 43 HA3 GLY 590 HA3 GLY 590 23.655 -5.132 5.347 44 H TRP 591 H TRP 591 21.596 -4.153 3.278 45 HA TRP 591 HA TRP 591 19.286 -5.373 4.408 46 HB2 TRP 591 HB2 TRP 591 17.988 -3.950 2.937 47 HB3 TRP 591 HB3 TRP 591 19.307 -3.026 3.629 48 HD1 TRP 591 HD1 TRP 591 21.037 -1.928 1.920 49 HE1 TRP 591 HE1 TRP 591 21.051 -1.623 -0.632 50 HE3 TRP 591 HE3 TRP 591 17.327 -5.240 0.713 51 HZ2 TRP 591 HZ2 TRP 591 19.686 -2.689 -2.864 52 HZ3 TRP 591 HZ3 TRP 591 16.750 -5.539 -1.658 53 HH2 TRP 591 HH2 TRP 591 17.906 -4.289 -3.406 54 H HIS 592 H HIS 592 21.031 -5.947 1.407 55 HA HIS 592 HA HIS 592 19.016 -7.624 0.243 56 HB2 HIS 592 HB2 HIS 592 20.341 -7.593 -1.599 57 HB3 HIS 592 HB3 HIS 592 21.209 -6.327 -0.741 58 HD1 HIS 592 HD1 HIS 592 23.358 -7.248 0.689 59 HD2 HIS 592 HD2 HIS 592 21.883 -9.717 -2.310 60 HE1 HIS 592 HE1 HIS 592 25.197 -8.894 0.208 61 HE2 HIS 592 HE2 HIS 592 24.327 -10.296 -1.695 62 H GLU 593 H GLU 593 21.273 -8.078 2.723 63 HA GLU 593 HA GLU 593 21.711 -10.903 2.345 64 HB2 GLU 593 HB2 GLU 593 22.356 -9.089 4.663 65 HB3 GLU 593 HB3 GLU 593 22.830 -10.777 4.567 66 HG2 GLU 593 HG2 GLU 593 24.134 -10.257 2.549 67 HG3 GLU 593 HG3 GLU 593 23.705 -8.559 2.722 68 H HIS 594 H HIS 594 19.333 -8.933 3.915 69 HA HIS 594 HA HIS 594 18.222 -11.336 5.193 70 HB2 HIS 594 HB2 HIS 594 17.892 -8.465 6.054 71 HB3 HIS 594 HB3 HIS 594 16.979 -9.800 6.742 72 HD1 HIS 594 HD1 HIS 594 18.656 -11.716 7.863 73 HD2 HIS 594 HD2 HIS 594 20.104 -7.848 7.441 74 HE1 HIS 594 HE1 HIS 594 20.540 -11.523 9.516 75 HE2 HIS 594 HE2 HIS 594 21.485 -9.218 9.147 76 H VAL 595 H VAL 595 17.542 -8.774 2.912 77 HA VAL 595 HA VAL 595 14.704 -9.308 2.892 78 HB VAL 595 HB VAL 595 16.373 -7.620 0.998 79 HG11 VAL 595 HG11 VAL 595 13.361 -7.895 1.080 80 HG12 VAL 595 HG12 VAL 595 14.411 -8.499 -0.200 81 HG13 VAL 595 HG13 VAL 595 14.274 -6.764 0.081 82 HG21 VAL 595 HG21 VAL 595 14.995 -5.790 2.094 83 HG22 VAL 595 HG22 VAL 595 16.237 -6.550 3.085 84 HG23 VAL 595 HG23 VAL 595 14.539 -7.000 3.299 85 H THR 596 H THR 596 13.702 -10.839 1.829 86 HA THR 596 HA THR 596 15.135 -12.367 -0.245 87 HB THR 596 HB THR 596 13.721 -14.284 0.328 88 HG1 THR 596 HG1 THR 596 12.729 -13.156 2.656 89 HG21 THR 596 HG21 THR 596 14.588 -14.786 2.555 90 HG22 THR 596 HG22 THR 596 15.020 -13.090 2.774 91 HG23 THR 596 HG23 THR 596 15.826 -14.052 1.536 92 H GLN 597 H GLN 597 13.348 -13.671 -1.602 93 HA GLN 597 HA GLN 597 11.530 -11.834 -2.845 94 HB2 GLN 597 HB2 GLN 597 11.936 -14.818 -3.124 95 HB3 GLN 597 HB3 GLN 597 10.691 -13.947 -4.003 96 HG2 GLN 597 HG2 GLN 597 12.383 -12.599 -5.113 97 HG3 GLN 597 HG3 GLN 597 13.642 -13.413 -4.201 98 HE21 GLN 597 HE21 GLN 597 11.268 -15.634 -5.014 99 HE22 GLN 597 HE22 GLN 597 11.989 -16.281 -6.445 100 H ASP 598 H ASP 598 11.427 -13.855 -0.088 101 HA ASP 598 HA ASP 598 8.557 -14.243 -0.069 102 HB2 ASP 598 HB2 ASP 598 10.767 -14.974 1.849 103 HB3 ASP 598 HB3 ASP 598 9.071 -15.231 2.228 104 H LEU 599 H LEU 599 10.917 -12.153 1.637 105 HA LEU 599 HA LEU 599 9.121 -11.008 3.458 106 HB2 LEU 599 HB2 LEU 599 11.799 -10.417 2.514 107 HB3 LEU 599 HB3 LEU 599 10.901 -8.939 2.773 108 HG LEU 599 HG LEU 599 11.343 -11.087 4.866 109 HD11 LEU 599 HD11 LEU 599 12.696 -8.446 4.332 110 HD12 LEU 599 HD12 LEU 599 13.429 -10.059 4.416 111 HD13 LEU 599 HD13 LEU 599 12.804 -9.299 5.875 112 HD21 LEU 599 HD21 LEU 599 10.419 -9.616 6.460 113 HD22 LEU 599 HD22 LEU 599 9.280 -9.576 5.116 114 HD23 LEU 599 HD23 LEU 599 10.433 -8.263 5.339 115 H ARG 600 H ARG 600 9.971 -10.000 0.161 116 HA ARG 600 HA ARG 600 8.637 -7.561 0.041 117 HB2 ARG 600 HB2 ARG 600 9.189 -9.598 -2.121 118 HB3 ARG 600 HB3 ARG 600 8.499 -8.019 -2.460 119 HG2 ARG 600 HG2 ARG 600 10.495 -6.950 -1.536 120 HG3 ARG 600 HG3 ARG 600 11.172 -8.547 -1.195 121 HD2 ARG 600 HD2 ARG 600 12.139 -7.762 -3.239 122 HD3 ARG 600 HD3 ARG 600 11.008 -9.055 -3.635 123 HE ARG 600 HE ARG 600 9.429 -7.008 -4.027 124 HH11 ARG 600 HH11 ARG 600 12.822 -7.229 -4.925 125 HH12 ARG 600 HH12 ARG 600 12.656 -6.138 -6.259 126 HH21 ARG 600 HH21 ARG 600 9.241 -5.583 -5.779 127 HH22 ARG 600 HH22 ARG 600 10.631 -5.208 -6.740 128 H SER 601 H SER 601 7.387 -10.790 -0.222 129 HA SER 601 HA SER 601 4.796 -10.052 -1.243 130 HB2 SER 601 HB2 SER 601 4.240 -12.401 -0.976 131 HB3 SER 601 HB3 SER 601 5.873 -12.285 -1.625 132 HG SER 601 HG SER 601 5.076 -13.505 0.592 133 H HIS 602 H HIS 602 6.182 -10.604 1.956 134 HA HIS 602 HA HIS 602 3.635 -10.428 3.332 135 HB2 HIS 602 HB2 HIS 602 6.447 -10.360 4.469 136 HB3 HIS 602 HB3 HIS 602 4.963 -10.616 5.378 137 HD1 HIS 602 HD1 HIS 602 7.221 -12.687 5.501 138 HD2 HIS 602 HD2 HIS 602 4.048 -12.878 2.825 139 HE1 HIS 602 HE1 HIS 602 7.038 -15.108 4.846 140 HE2 HIS 602 HE2 HIS 602 5.160 -15.188 3.167 141 H LEU 603 H LEU 603 6.127 -8.301 2.285 142 HA LEU 603 HA LEU 603 5.506 -5.991 3.862 143 HB2 LEU 603 HB2 LEU 603 6.918 -6.476 1.240 144 HB3 LEU 603 HB3 LEU 603 6.670 -4.855 1.830 145 HG LEU 603 HG LEU 603 8.363 -7.018 3.132 146 HD11 LEU 603 HD11 LEU 603 9.473 -6.133 1.225 147 HD12 LEU 603 HD12 LEU 603 10.239 -5.515 2.695 148 HD13 LEU 603 HD13 LEU 603 9.159 -4.478 1.756 149 HD21 LEU 603 HD21 LEU 603 9.191 -5.223 4.625 150 HD22 LEU 603 HD22 LEU 603 7.530 -5.724 4.931 151 HD23 LEU 603 HD23 LEU 603 7.857 -4.212 4.080 152 H VAL 604 H VAL 604 4.328 -7.380 0.872 153 HA VAL 604 HA VAL 604 2.597 -5.187 0.194 154 HB VAL 604 HB VAL 604 3.169 -7.902 -0.989 155 HG11 VAL 604 HG11 VAL 604 1.084 -7.968 -1.825 156 HG12 VAL 604 HG12 VAL 604 1.659 -6.696 -2.910 157 HG13 VAL 604 HG13 VAL 604 0.776 -6.280 -1.439 158 HG21 VAL 604 HG21 VAL 604 4.676 -5.917 -1.303 159 HG22 VAL 604 HG22 VAL 604 3.353 -5.168 -2.220 160 HG23 VAL 604 HG23 VAL 604 4.083 -6.680 -2.784 161 H HIS 605 H HIS 605 2.340 -8.338 1.771 162 HA HIS 605 HA HIS 605 -0.523 -8.334 1.975 163 HB2 HIS 605 HB2 HIS 605 0.870 -10.411 2.025 164 HB3 HIS 605 HB3 HIS 605 1.488 -9.920 3.595 165 HD1 HIS 605 HD1 HIS 605 -1.865 -10.739 1.990 166 HD2 HIS 605 HD2 HIS 605 0.032 -10.873 5.687 167 HE1 HIS 605 HE1 HIS 605 -3.495 -11.860 3.543 168 HE2 HIS 605 HE2 HIS 605 -2.363 -11.844 5.795 169 H LYS 606 H LYS 606 1.991 -6.761 3.615 170 HA LYS 606 HA LYS 606 0.567 -6.251 6.116 171 HB2 LYS 606 HB2 LYS 606 3.057 -6.522 6.005 172 HB3 LYS 606 HB3 LYS 606 3.135 -5.086 4.999 173 HG2 LYS 606 HG2 LYS 606 2.426 -3.695 6.818 174 HG3 LYS 606 HG3 LYS 606 2.113 -5.105 7.833 175 HD2 LYS 606 HD2 LYS 606 4.478 -5.662 7.785 176 HD3 LYS 606 HD3 LYS 606 4.791 -4.295 6.704 177 HE2 LYS 606 HE2 LYS 606 4.082 -2.754 8.426 178 HE3 LYS 606 HE3 LYS 606 3.638 -4.071 9.490 179 HZ1 LYS 606 HZ1 LYS 606 5.780 -3.121 10.085 180 HZ2 LYS 606 HZ2 LYS 606 6.393 -3.475 8.548 181 HZ3 LYS 606 HZ3 LYS 606 5.956 -4.730 9.594 182 H LEU 607 H LEU 607 1.129 -4.977 3.028 183 HA LEU 607 HA LEU 607 0.402 -2.234 3.522 184 HB2 LEU 607 HB2 LEU 607 2.292 -2.942 2.165 185 HB3 LEU 607 HB3 LEU 607 1.212 -3.800 1.117 186 HG LEU 607 HG LEU 607 0.449 -1.794 0.093 187 HD11 LEU 607 HD11 LEU 607 1.115 0.443 0.784 188 HD12 LEU 607 HD12 LEU 607 1.915 -0.227 2.211 189 HD13 LEU 607 HD13 LEU 607 0.162 -0.346 2.047 190 HD21 LEU 607 HD21 LEU 607 3.361 -1.400 0.667 191 HD22 LEU 607 HD22 LEU 607 2.470 -0.898 -0.769 192 HD23 LEU 607 HD23 LEU 607 2.729 -2.611 -0.444 193 H VAL 608 H VAL 608 -0.922 -5.076 1.875 194 HA VAL 608 HA VAL 608 -3.278 -3.753 0.863 195 HB VAL 608 HB VAL 608 -2.543 -6.698 1.065 196 HG11 VAL 608 HG11 VAL 608 -4.966 -6.559 1.087 197 HG12 VAL 608 HG12 VAL 608 -4.413 -7.146 -0.482 198 HG13 VAL 608 HG13 VAL 608 -4.940 -5.473 -0.302 199 HG21 VAL 608 HG21 VAL 608 -2.211 -6.558 -1.335 200 HG22 VAL 608 HG22 VAL 608 -1.213 -5.358 -0.515 201 HG23 VAL 608 HG23 VAL 608 -2.699 -4.864 -1.330 202 H GLN 609 H GLN 609 -2.428 -5.274 3.887 203 HA GLN 609 HA GLN 609 -5.170 -5.669 4.709 204 HB2 GLN 609 HB2 GLN 609 -2.610 -6.066 6.231 205 HB3 GLN 609 HB3 GLN 609 -4.206 -6.405 6.879 206 HG2 GLN 609 HG2 GLN 609 -2.916 -7.736 4.520 207 HG3 GLN 609 HG3 GLN 609 -3.127 -8.395 6.135 208 HE21 GLN 609 HE21 GLN 609 -4.235 -8.730 3.164 209 HE22 GLN 609 HE22 GLN 609 -5.893 -9.116 3.455 210 H ALA 610 H ALA 610 -2.711 -3.259 5.063 211 HA ALA 610 HA ALA 610 -4.029 -1.741 7.108 212 HB1 ALA 610 HB1 ALA 610 -1.653 -1.523 6.814 213 HB2 ALA 610 HB2 ALA 610 -2.417 0.027 6.447 214 HB3 ALA 610 HB3 ALA 610 -1.870 -1.024 5.137 215 H ILE 611 H ILE 611 -4.094 -1.829 3.596 216 HA ILE 611 HA ILE 611 -5.671 0.569 3.312 217 HB ILE 611 HB ILE 611 -4.971 -1.592 1.290 218 HG12 ILE 611 HG12 ILE 611 -3.963 1.240 1.583 219 HG13 ILE 611 HG13 ILE 611 -3.099 -0.177 2.114 220 HG21 ILE 611 HG21 ILE 611 -5.735 0.109 -0.401 221 HG22 ILE 611 HG22 ILE 611 -6.475 0.994 0.931 222 HG23 ILE 611 HG23 ILE 611 -7.024 -0.635 0.544 223 HD11 ILE 611 HD11 ILE 611 -2.146 0.541 0.054 224 HD12 ILE 611 HD12 ILE 611 -3.729 0.623 -0.711 225 HD13 ILE 611 HD13 ILE 611 -3.045 -0.941 -0.268 226 H PHE 612 H PHE 612 -6.363 -2.908 2.660 227 HA PHE 612 HA PHE 612 -8.935 -2.568 3.991 228 HB2 PHE 612 HB2 PHE 612 -9.341 -2.305 1.542 229 HB3 PHE 612 HB3 PHE 612 -8.664 -3.905 1.281 230 HD1 PHE 612 HD1 PHE 612 -11.437 -2.061 2.849 231 HD2 PHE 612 HD2 PHE 612 -9.986 -5.842 1.562 232 HE1 PHE 612 HE1 PHE 612 -13.682 -3.029 3.184 233 HE2 PHE 612 HE2 PHE 612 -12.223 -6.824 1.888 234 HZ PHE 612 HZ PHE 612 -14.075 -5.413 2.700 235 HA PRO 613 HA PRO 613 -7.229 -6.503 5.660 236 HB2 PRO 613 HB2 PRO 613 -9.003 -6.742 7.706 237 HB3 PRO 613 HB3 PRO 613 -7.550 -5.753 7.816 238 HG2 PRO 613 HG2 PRO 613 -10.299 -4.906 7.277 239 HG3 PRO 613 HG3 PRO 613 -9.193 -4.206 8.254 240 HD2 PRO 613 HD2 PRO 613 -9.584 -3.248 5.815 241 HD3 PRO 613 HD3 PRO 613 -8.091 -3.197 6.475 242 H THR 614 H THR 614 -7.821 -8.525 5.080 243 HA THR 614 HA THR 614 -10.508 -8.869 3.973 244 HB THR 614 HB THR 614 -8.748 -11.034 3.322 245 HG1 THR 614 HG1 THR 614 -7.741 -8.444 3.030 246 HG21 THR 614 HG21 THR 614 -10.167 -8.960 1.660 247 HG22 THR 614 HG22 THR 614 -10.768 -10.560 2.104 248 HG23 THR 614 HG23 THR 614 -9.384 -10.407 1.019 249 HA PRO 615 HA PRO 615 -11.436 -11.819 7.368 250 HB2 PRO 615 HB2 PRO 615 -13.850 -11.803 5.626 251 HB3 PRO 615 HB3 PRO 615 -13.747 -11.820 7.375 252 HG2 PRO 615 HG2 PRO 615 -14.310 -9.595 6.250 253 HG3 PRO 615 HG3 PRO 615 -13.150 -9.563 7.399 254 HD2 PRO 615 HD2 PRO 615 -12.707 -9.611 4.493 255 HD3 PRO 615 HD3 PRO 615 -11.970 -8.620 5.563 256 H ASP 616 H ASP 616 -12.523 -12.187 4.030 257 HA ASP 616 HA ASP 616 -11.753 -15.032 4.048 258 HB2 ASP 616 HB2 ASP 616 -14.152 -14.408 3.515 259 HB3 ASP 616 HB3 ASP 616 -13.549 -13.655 2.043 260 HA PRO 617 HA PRO 617 -8.271 -13.930 1.345 261 HB2 PRO 617 HB2 PRO 617 -8.270 -16.880 0.935 262 HB3 PRO 617 HB3 PRO 617 -6.945 -15.808 1.400 263 HG2 PRO 617 HG2 PRO 617 -8.062 -17.314 3.201 264 HG3 PRO 617 HG3 PRO 617 -7.665 -15.779 3.591 265 HD2 PRO 617 HD2 PRO 617 -10.263 -16.809 2.979 266 HD3 PRO 617 HD3 PRO 617 -9.856 -15.769 4.171 267 H ALA 618 H ALA 618 -11.224 -15.427 0.478 268 HA ALA 618 HA ALA 618 -10.669 -15.931 -2.292 269 HB1 ALA 618 HB1 ALA 618 -13.048 -16.389 -2.479 270 HB2 ALA 618 HB2 ALA 618 -13.324 -15.697 -0.880 271 HB3 ALA 618 HB3 ALA 618 -12.378 -17.176 -1.049 272 H ALA 619 H ALA 619 -11.164 -13.084 -0.581 273 HA ALA 619 HA ALA 619 -12.592 -11.591 -2.600 274 HB1 ALA 619 HB1 ALA 619 -11.092 -10.600 -0.182 275 HB2 ALA 619 HB2 ALA 619 -12.798 -11.057 -0.206 276 HB3 ALA 619 HB3 ALA 619 -12.237 -9.678 -1.156 277 H LEU 620 H LEU 620 -9.330 -12.475 -2.060 278 HA LEU 620 HA LEU 620 -8.123 -10.187 -3.306 279 HB2 LEU 620 HB2 LEU 620 -6.989 -12.860 -2.480 280 HB3 LEU 620 HB3 LEU 620 -6.034 -11.533 -3.092 281 HG LEU 620 HG LEU 620 -7.603 -11.533 -0.507 282 HD11 LEU 620 HD11 LEU 620 -4.639 -11.625 -1.053 283 HD12 LEU 620 HD12 LEU 620 -5.624 -12.927 -0.385 284 HD13 LEU 620 HD13 LEU 620 -5.378 -11.443 0.536 285 HD21 LEU 620 HD21 LEU 620 -6.454 -9.388 -0.072 286 HD22 LEU 620 HD22 LEU 620 -7.561 -9.293 -1.438 287 HD23 LEU 620 HD23 LEU 620 -5.824 -9.411 -1.719 288 H LYS 621 H LYS 621 -9.906 -12.559 -4.614 289 HA LYS 621 HA LYS 621 -8.239 -12.971 -7.001 290 HB2 LYS 621 HB2 LYS 621 -10.766 -14.374 -6.104 291 HB3 LYS 621 HB3 LYS 621 -9.916 -14.721 -7.600 292 HG2 LYS 621 HG2 LYS 621 -8.021 -15.581 -6.394 293 HG3 LYS 621 HG3 LYS 621 -8.691 -15.038 -4.862 294 HD2 LYS 621 HD2 LYS 621 -10.530 -16.629 -5.112 295 HD3 LYS 621 HD3 LYS 621 -9.860 -17.178 -6.647 296 HE2 LYS 621 HE2 LYS 621 -7.839 -17.898 -5.501 297 HE3 LYS 621 HE3 LYS 621 -8.499 -17.297 -3.985 298 HZ1 LYS 621 HZ1 LYS 621 -9.660 -19.486 -5.616 299 HZ2 LYS 621 HZ2 LYS 621 -10.281 -18.916 -4.149 300 HZ3 LYS 621 HZ3 LYS 621 -8.778 -19.690 -4.187 301 H ASP 622 H ASP 622 -9.965 -10.584 -6.106 302 HA ASP 622 HA ASP 622 -11.984 -10.411 -8.193 303 HB2 ASP 622 HB2 ASP 622 -12.230 -9.651 -5.736 304 HB3 ASP 622 HB3 ASP 622 -11.262 -8.259 -6.206 305 H ARG 623 H ARG 623 -12.089 -8.645 -9.668 306 HA ARG 623 HA ARG 623 -9.558 -8.110 -10.939 307 HB2 ARG 623 HB2 ARG 623 -12.372 -7.279 -11.678 308 HB3 ARG 623 HB3 ARG 623 -10.956 -6.981 -12.676 309 HG2 ARG 623 HG2 ARG 623 -11.602 -9.740 -11.812 310 HG3 ARG 623 HG3 ARG 623 -12.504 -9.025 -13.151 311 HD2 ARG 623 HD2 ARG 623 -10.748 -10.150 -14.218 312 HD3 ARG 623 HD3 ARG 623 -10.182 -8.483 -14.135 313 HE ARG 623 HE ARG 623 -8.452 -9.188 -12.841 314 HH11 ARG 623 HH11 ARG 623 -10.951 -11.649 -12.627 315 HH12 ARG 623 HH12 ARG 623 -9.967 -12.729 -11.699 316 HH21 ARG 623 HH21 ARG 623 -7.183 -10.620 -11.627 317 HH22 ARG 623 HH22 ARG 623 -7.837 -12.147 -11.134 318 H ARG 624 H ARG 624 -12.045 -6.321 -9.269 319 HA ARG 624 HA ARG 624 -10.966 -3.705 -9.708 320 HB2 ARG 624 HB2 ARG 624 -12.999 -4.738 -7.729 321 HB3 ARG 624 HB3 ARG 624 -12.551 -3.043 -7.848 322 HG2 ARG 624 HG2 ARG 624 -13.301 -3.031 -10.196 323 HG3 ARG 624 HG3 ARG 624 -13.803 -4.714 -10.023 324 HD2 ARG 624 HD2 ARG 624 -14.844 -2.480 -8.291 325 HD3 ARG 624 HD3 ARG 624 -15.635 -3.007 -9.775 326 HE ARG 624 HE ARG 624 -15.136 -5.126 -7.885 327 HH11 ARG 624 HH11 ARG 624 -17.447 -2.668 -8.872 328 HH12 ARG 624 HH12 ARG 624 -18.794 -3.485 -8.149 329 HH21 ARG 624 HH21 ARG 624 -16.915 -6.173 -6.948 330 HH22 ARG 624 HH22 ARG 624 -18.491 -5.465 -7.063 331 H MET 625 H MET 625 -10.405 -6.166 -7.299 332 HA MET 625 HA MET 625 -9.068 -4.419 -5.427 333 HB2 MET 625 HB2 MET 625 -10.275 -6.404 -4.635 334 HB3 MET 625 HB3 MET 625 -9.218 -7.437 -5.589 335 HG2 MET 625 HG2 MET 625 -8.612 -7.477 -3.226 336 HG3 MET 625 HG3 MET 625 -7.316 -6.801 -4.210 337 HE1 MET 625 HE1 MET 625 -9.335 -6.509 -1.143 338 HE2 MET 625 HE2 MET 625 -8.539 -5.104 -0.436 339 HE3 MET 625 HE3 MET 625 -7.577 -6.487 -0.966 340 H GLU 626 H GLU 626 -8.146 -6.720 -7.925 341 HA GLU 626 HA GLU 626 -5.419 -6.925 -7.523 342 HB2 GLU 626 HB2 GLU 626 -6.708 -8.310 -9.091 343 HB3 GLU 626 HB3 GLU 626 -6.906 -6.927 -10.153 344 HG2 GLU 626 HG2 GLU 626 -4.543 -6.876 -10.617 345 HG3 GLU 626 HG3 GLU 626 -4.245 -8.143 -9.427 346 H ASN 627 H ASN 627 -7.186 -4.178 -8.619 347 HA ASN 627 HA ASN 627 -5.148 -2.887 -10.128 348 HB2 ASN 627 HB2 ASN 627 -7.701 -1.901 -8.872 349 HB3 ASN 627 HB3 ASN 627 -6.608 -0.824 -9.730 350 HD21 ASN 627 HD21 ASN 627 -9.291 -1.358 -10.428 351 HD22 ASN 627 HD22 ASN 627 -9.296 -2.110 -11.984 352 H LEU 628 H LEU 628 -6.034 -2.769 -6.685 353 HA LEU 628 HA LEU 628 -4.031 -0.730 -6.201 354 HB2 LEU 628 HB2 LEU 628 -5.890 -2.103 -4.264 355 HB3 LEU 628 HB3 LEU 628 -4.708 -0.912 -3.793 356 HG LEU 628 HG LEU 628 -7.066 -0.340 -5.611 357 HD11 LEU 628 HD11 LEU 628 -6.681 0.391 -2.712 358 HD12 LEU 628 HD12 LEU 628 -7.716 -0.918 -3.280 359 HD13 LEU 628 HD13 LEU 628 -8.085 0.755 -3.724 360 HD21 LEU 628 HD21 LEU 628 -4.992 1.382 -4.290 361 HD22 LEU 628 HD22 LEU 628 -6.477 2.009 -5.006 362 HD23 LEU 628 HD23 LEU 628 -5.283 1.192 -6.022 363 H VAL 629 H VAL 629 -4.408 -4.181 -5.826 364 HA VAL 629 HA VAL 629 -2.092 -4.862 -4.420 365 HB VAL 629 HB VAL 629 -3.466 -6.258 -6.739 366 HG11 VAL 629 HG11 VAL 629 -1.309 -7.405 -4.962 367 HG12 VAL 629 HG12 VAL 629 -1.174 -7.059 -6.690 368 HG13 VAL 629 HG13 VAL 629 -2.280 -8.315 -6.123 369 HG21 VAL 629 HG21 VAL 629 -4.824 -6.052 -4.733 370 HG22 VAL 629 HG22 VAL 629 -3.535 -6.771 -3.768 371 HG23 VAL 629 HG23 VAL 629 -4.360 -7.735 -4.992 372 H ALA 630 H ALA 630 -2.555 -3.769 -7.702 373 HA ALA 630 HA ALA 630 0.157 -4.176 -8.550 374 HB1 ALA 630 HB1 ALA 630 -2.128 -2.666 -9.810 375 HB2 ALA 630 HB2 ALA 630 -1.687 -4.350 -10.111 376 HB3 ALA 630 HB3 ALA 630 -0.594 -3.051 -10.600 377 H TYR 631 H TYR 631 -1.636 -1.661 -6.964 378 HA TYR 631 HA TYR 631 0.305 0.420 -7.296 379 HB2 TYR 631 HB2 TYR 631 -1.979 1.046 -6.690 380 HB3 TYR 631 HB3 TYR 631 -1.923 0.031 -5.263 381 HD1 TYR 631 HD1 TYR 631 -0.207 3.007 -6.758 382 HD2 TYR 631 HD2 TYR 631 -1.480 1.026 -3.195 383 HE1 TYR 631 HE1 TYR 631 0.422 4.977 -5.425 384 HE2 TYR 631 HE2 TYR 631 -0.836 2.990 -1.867 385 HH TYR 631 HH TYR 631 0.666 4.922 -2.043 386 H ALA 632 H ALA 632 -0.255 -2.144 -4.932 387 HA ALA 632 HA ALA 632 1.725 -1.183 -3.072 388 HB1 ALA 632 HB1 ALA 632 -0.162 -2.277 -2.161 389 HB2 ALA 632 HB2 ALA 632 1.247 -3.316 -1.897 390 HB3 ALA 632 HB3 ALA 632 0.094 -3.697 -3.178 391 H LYS 633 H LYS 633 1.495 -3.779 -5.470 392 HA LYS 633 HA LYS 633 3.953 -5.067 -4.950 393 HB2 LYS 633 HB2 LYS 633 2.059 -4.927 -7.276 394 HB3 LYS 633 HB3 LYS 633 3.612 -5.713 -7.481 395 HG2 LYS 633 HG2 LYS 633 3.051 -7.279 -5.674 396 HG3 LYS 633 HG3 LYS 633 1.489 -6.492 -5.495 397 HD2 LYS 633 HD2 LYS 633 0.697 -7.293 -7.516 398 HD3 LYS 633 HD3 LYS 633 2.313 -7.578 -8.145 399 HE2 LYS 633 HE2 LYS 633 2.570 -9.547 -6.893 400 HE3 LYS 633 HE3 LYS 633 1.255 -9.124 -5.801 401 HZ1 LYS 633 HZ1 LYS 633 0.964 -9.897 -8.658 402 HZ2 LYS 633 HZ2 LYS 633 -0.307 -9.471 -7.627 403 HZ3 LYS 633 HZ3 LYS 633 0.593 -10.870 -7.323 404 H LYS 634 H LYS 634 3.156 -2.114 -6.496 405 HA LYS 634 HA LYS 634 5.528 -1.894 -8.143 406 HB2 LYS 634 HB2 LYS 634 3.344 -1.064 -8.923 407 HB3 LYS 634 HB3 LYS 634 3.286 0.063 -7.579 408 HG2 LYS 634 HG2 LYS 634 3.907 1.061 -9.785 409 HG3 LYS 634 HG3 LYS 634 5.060 1.369 -8.483 410 HD2 LYS 634 HD2 LYS 634 6.360 -0.640 -9.385 411 HD3 LYS 634 HD3 LYS 634 5.315 -0.542 -10.801 412 HE2 LYS 634 HE2 LYS 634 6.082 1.758 -11.199 413 HE3 LYS 634 HE3 LYS 634 7.120 1.658 -9.779 414 HZ1 LYS 634 HZ1 LYS 634 8.362 1.259 -11.805 415 HZ2 LYS 634 HZ2 LYS 634 7.347 -0.031 -12.211 416 HZ3 LYS 634 HZ3 LYS 634 8.340 -0.136 -10.845 417 H VAL 635 H VAL 635 4.378 -0.633 -5.034 418 HA VAL 635 HA VAL 635 6.066 1.645 -5.032 419 HB VAL 635 HB VAL 635 4.421 0.407 -2.843 420 HG11 VAL 635 HG11 VAL 635 4.992 2.427 -1.477 421 HG12 VAL 635 HG12 VAL 635 6.303 2.743 -2.619 422 HG13 VAL 635 HG13 VAL 635 6.298 1.256 -1.672 423 HG21 VAL 635 HG21 VAL 635 3.150 2.493 -2.953 424 HG22 VAL 635 HG22 VAL 635 3.175 1.676 -4.516 425 HG23 VAL 635 HG23 VAL 635 4.203 3.085 -4.242 426 H GLU 636 H GLU 636 6.425 -1.482 -3.308 427 HA GLU 636 HA GLU 636 8.774 -0.758 -1.940 428 HB2 GLU 636 HB2 GLU 636 9.108 -3.062 -1.388 429 HB3 GLU 636 HB3 GLU 636 7.399 -2.683 -1.264 430 HG2 GLU 636 HG2 GLU 636 7.018 -3.709 -3.416 431 HG3 GLU 636 HG3 GLU 636 8.726 -4.130 -3.538 432 H GLY 637 H GLY 637 8.326 -1.722 -5.223 433 HA2 GLY 637 HA2 GLY 637 11.009 -2.544 -5.783 434 HA3 GLY 637 HA3 GLY 637 9.799 -2.073 -6.966 435 H ASP 638 H ASP 638 9.406 0.542 -5.607 436 HA ASP 638 HA ASP 638 11.622 2.001 -6.792 437 HB2 ASP 638 HB2 ASP 638 9.029 2.914 -5.522 438 HB3 ASP 638 HB3 ASP 638 10.217 4.007 -6.217 439 H MET 639 H MET 639 10.640 0.884 -3.709 440 HA MET 639 HA MET 639 11.849 2.830 -2.029 441 HB2 MET 639 HB2 MET 639 11.025 -0.026 -1.544 442 HB3 MET 639 HB3 MET 639 11.656 1.029 -0.283 443 HG2 MET 639 HG2 MET 639 9.114 1.310 -1.839 444 HG3 MET 639 HG3 MET 639 9.306 1.069 -0.109 445 HE1 MET 639 HE1 MET 639 8.919 4.910 -2.330 446 HE2 MET 639 HE2 MET 639 8.179 3.329 -2.563 447 HE3 MET 639 HE3 MET 639 9.838 3.606 -3.081 448 H TYR 640 H TYR 640 13.105 0.069 -3.745 449 HA TYR 640 HA TYR 640 15.445 -0.295 -2.109 450 HB2 TYR 640 HB2 TYR 640 14.671 -1.391 -4.823 451 HB3 TYR 640 HB3 TYR 640 16.142 -1.849 -3.963 452 HD1 TYR 640 HD1 TYR 640 12.813 -2.744 -4.598 453 HD2 TYR 640 HD2 TYR 640 15.706 -2.716 -1.472 454 HE1 TYR 640 HE1 TYR 640 11.562 -4.516 -3.437 455 HE2 TYR 640 HE2 TYR 640 14.460 -4.484 -0.300 456 HH TYR 640 HH TYR 640 11.987 -6.277 -1.771 457 H GLU 641 H GLU 641 14.607 1.616 -4.891 458 HA GLU 641 HA GLU 641 17.366 2.320 -5.489 459 HB2 GLU 641 HB2 GLU 641 14.722 3.103 -6.710 460 HB3 GLU 641 HB3 GLU 641 16.219 3.895 -7.157 461 HG2 GLU 641 HG2 GLU 641 15.770 0.950 -7.394 462 HG3 GLU 641 HG3 GLU 641 15.485 2.087 -8.700 463 H SER 642 H SER 642 14.751 3.520 -3.578 464 HA SER 642 HA SER 642 15.851 6.227 -3.455 465 HB2 SER 642 HB2 SER 642 13.769 6.742 -2.161 466 HB3 SER 642 HB3 SER 642 13.465 6.127 -3.786 467 HG SER 642 HG SER 642 12.583 4.387 -2.968 468 H ALA 643 H ALA 643 15.243 3.443 -1.342 469 HA ALA 643 HA ALA 643 16.244 4.866 0.995 470 HB1 ALA 643 HB1 ALA 643 15.286 2.014 0.762 471 HB2 ALA 643 HB2 ALA 643 14.281 3.395 1.198 472 HB3 ALA 643 HB3 ALA 643 15.602 2.898 2.257 473 H ASN 644 H ASN 644 17.987 4.099 2.293 474 HA ASN 644 HA ASN 644 19.999 2.504 0.836 475 HB2 ASN 644 HB2 ASN 644 20.393 4.957 2.567 476 HB3 ASN 644 HB3 ASN 644 21.715 3.922 2.047 477 HD21 ASN 644 HD21 ASN 644 19.819 6.585 1.304 478 HD22 ASN 644 HD22 ASN 644 20.309 6.804 -0.340 479 H SER 645 H SER 645 18.108 2.780 3.641 480 HA SER 645 HA SER 645 19.770 0.808 5.059 481 HB2 SER 645 HB2 SER 645 19.498 1.929 7.150 482 HB3 SER 645 HB3 SER 645 19.976 3.174 5.997 483 HG SER 645 HG SER 645 17.322 2.622 6.844 484 H ARG 646 H ARG 646 18.510 -0.346 6.801 485 HA ARG 646 HA ARG 646 16.142 -1.485 5.719 486 HB2 ARG 646 HB2 ARG 646 17.733 -2.796 7.033 487 HB3 ARG 646 HB3 ARG 646 17.441 -1.792 8.439 488 HG2 ARG 646 HG2 ARG 646 15.155 -2.655 8.591 489 HG3 ARG 646 HG3 ARG 646 15.425 -3.637 7.154 490 HD2 ARG 646 HD2 ARG 646 17.174 -4.887 8.351 491 HD3 ARG 646 HD3 ARG 646 16.889 -3.900 9.784 492 HE ARG 646 HE ARG 646 15.269 -6.079 8.822 493 HH11 ARG 646 HH11 ARG 646 15.271 -3.214 10.860 494 HH12 ARG 646 HH12 ARG 646 13.927 -3.757 11.810 495 HH21 ARG 646 HH21 ARG 646 13.517 -6.760 10.078 496 HH22 ARG 646 HH22 ARG 646 12.936 -5.761 11.368 497 H ASP 647 H ASP 647 16.720 0.998 8.137 498 HA ASP 647 HA ASP 647 14.015 0.977 9.148 499 HB2 ASP 647 HB2 ASP 647 16.385 2.782 9.643 500 HB3 ASP 647 HB3 ASP 647 14.803 3.094 10.346 501 H GLU 648 H GLU 648 15.733 2.647 6.623 502 HA GLU 648 HA GLU 648 13.644 4.638 6.256 503 HB2 GLU 648 HB2 GLU 648 16.145 4.005 4.663 504 HB3 GLU 648 HB3 GLU 648 15.021 5.287 4.245 505 HG2 GLU 648 HG2 GLU 648 16.617 5.114 6.799 506 HG3 GLU 648 HG3 GLU 648 17.001 6.135 5.414 507 H TYR 649 H TYR 649 14.791 1.656 4.767 508 HA TYR 649 HA TYR 649 13.145 1.575 2.511 509 HB2 TYR 649 HB2 TYR 649 14.946 0.057 2.568 510 HB3 TYR 649 HB3 TYR 649 14.552 -0.502 4.182 511 HD1 TYR 649 HD1 TYR 649 11.962 -0.262 1.632 512 HD2 TYR 649 HD2 TYR 649 14.771 -2.855 3.495 513 HE1 TYR 649 HE1 TYR 649 10.826 -2.179 0.639 514 HE2 TYR 649 HE2 TYR 649 13.635 -4.798 2.503 515 HH TYR 649 HH TYR 649 11.419 -5.383 1.614 516 H TYR 650 H TYR 650 12.595 0.013 5.686 517 HA TYR 650 HA TYR 650 9.956 -0.812 5.086 518 HB2 TYR 650 HB2 TYR 650 11.456 -0.611 7.698 519 HB3 TYR 650 HB3 TYR 650 9.835 -1.283 7.566 520 HD1 TYR 650 HD1 TYR 650 10.450 -2.582 4.756 521 HD2 TYR 650 HD2 TYR 650 12.405 -2.699 8.540 522 HE1 TYR 650 HE1 TYR 650 11.414 -4.755 4.181 523 HE2 TYR 650 HE2 TYR 650 13.362 -4.892 7.974 524 HH TYR 650 HH TYR 650 13.296 -6.174 4.822 525 H HIS 651 H HIS 651 11.153 2.240 6.238 526 HA HIS 651 HA HIS 651 8.718 3.010 7.591 527 HB2 HIS 651 HB2 HIS 651 11.388 4.164 7.211 528 HB3 HIS 651 HB3 HIS 651 10.079 5.327 7.270 529 HD1 HIS 651 HD1 HIS 651 9.370 6.051 9.535 530 HD2 HIS 651 HD2 HIS 651 11.410 2.431 9.637 531 HE1 HIS 651 HE1 HIS 651 9.602 5.480 11.972 532 HE2 HIS 651 HE2 HIS 651 10.771 3.248 12.008 533 H LEU 652 H LEU 652 10.197 3.611 4.460 534 HA LEU 652 HA LEU 652 8.462 5.549 3.452 535 HB2 LEU 652 HB2 LEU 652 10.102 3.412 2.190 536 HB3 LEU 652 HB3 LEU 652 9.170 4.527 1.235 537 HG LEU 652 HG LEU 652 11.356 5.357 3.131 538 HD11 LEU 652 HD11 LEU 652 12.695 5.846 1.137 539 HD12 LEU 652 HD12 LEU 652 11.454 5.098 0.133 540 HD13 LEU 652 HD13 LEU 652 12.353 4.124 1.292 541 HD21 LEU 652 HD21 LEU 652 9.756 7.076 2.847 542 HD22 LEU 652 HD22 LEU 652 9.684 6.797 1.110 543 HD23 LEU 652 HD23 LEU 652 11.143 7.485 1.832 544 H LEU 653 H LEU 653 8.240 2.019 3.390 545 HA LEU 653 HA LEU 653 5.713 1.909 2.056 546 HB2 LEU 653 HB2 LEU 653 7.172 -0.117 3.743 547 HB3 LEU 653 HB3 LEU 653 5.661 -0.452 2.931 548 HG LEU 653 HG LEU 653 8.116 0.418 1.422 549 HD11 LEU 653 HD11 LEU 653 8.608 -1.613 2.722 550 HD12 LEU 653 HD12 LEU 653 8.582 -1.895 0.981 551 HD13 LEU 653 HD13 LEU 653 7.214 -2.394 1.974 552 HD21 LEU 653 HD21 LEU 653 7.032 -0.374 -0.490 553 HD22 LEU 653 HD22 LEU 653 5.760 0.469 0.396 554 HD23 LEU 653 HD23 LEU 653 5.852 -1.287 0.447 555 H ALA 654 H ALA 654 6.660 2.229 5.414 556 HA ALA 654 HA ALA 654 4.086 1.533 6.519 557 HB1 ALA 654 HB1 ALA 654 6.384 2.946 7.864 558 HB2 ALA 654 HB2 ALA 654 6.210 1.195 7.740 559 HB3 ALA 654 HB3 ALA 654 5.025 2.136 8.645 560 H GLU 655 H GLU 655 5.633 4.483 5.438 561 HA GLU 655 HA GLU 655 3.814 6.232 6.794 562 HB2 GLU 655 HB2 GLU 655 5.923 6.692 4.703 563 HB3 GLU 655 HB3 GLU 655 4.816 7.976 5.153 564 HG2 GLU 655 HG2 GLU 655 5.602 7.882 7.446 565 HG3 GLU 655 HG3 GLU 655 6.668 6.540 7.046 566 H LYS 656 H LYS 656 3.864 4.777 3.568 567 HA LYS 656 HA LYS 656 1.574 6.185 2.591 568 HB2 LYS 656 HB2 LYS 656 2.661 3.473 1.829 569 HB3 LYS 656 HB3 LYS 656 1.285 4.202 1.048 570 HG2 LYS 656 HG2 LYS 656 2.687 6.038 0.244 571 HG3 LYS 656 HG3 LYS 656 4.091 5.320 1.039 572 HD2 LYS 656 HD2 LYS 656 3.867 3.330 -0.388 573 HD3 LYS 656 HD3 LYS 656 2.463 4.052 -1.178 574 HE2 LYS 656 HE2 LYS 656 4.721 5.855 -1.198 575 HE3 LYS 656 HE3 LYS 656 5.138 4.306 -1.927 576 HZ1 LYS 656 HZ1 LYS 656 3.225 4.520 -3.389 577 HZ2 LYS 656 HZ2 LYS 656 4.264 5.843 -3.568 578 HZ3 LYS 656 HZ3 LYS 656 2.829 6.010 -2.690 579 H ILE 657 H ILE 657 2.112 3.515 4.698 580 HA ILE 657 HA ILE 657 -0.468 2.330 4.625 581 HB ILE 657 HB ILE 657 2.020 2.034 6.219 582 HG12 ILE 657 HG12 ILE 657 0.064 0.035 5.050 583 HG13 ILE 657 HG13 ILE 657 1.474 0.674 4.227 584 HG21 ILE 657 HG21 ILE 657 0.219 2.298 7.989 585 HG22 ILE 657 HG22 ILE 657 1.191 0.823 8.045 586 HG23 ILE 657 HG23 ILE 657 -0.447 0.772 7.391 587 HD11 ILE 657 HD11 ILE 657 2.930 -0.447 5.845 588 HD12 ILE 657 HD12 ILE 657 1.852 -1.596 5.053 589 HD13 ILE 657 HD13 ILE 657 1.514 -1.059 6.697 590 H TYR 658 H TYR 658 0.945 4.979 6.443 591 HA TYR 658 HA TYR 658 -1.308 5.200 8.247 592 HB2 TYR 658 HB2 TYR 658 1.136 6.938 7.860 593 HB3 TYR 658 HB3 TYR 658 -0.079 7.206 9.096 594 HD1 TYR 658 HD1 TYR 658 3.069 5.868 8.533 595 HD2 TYR 658 HD2 TYR 658 -0.568 4.961 10.552 596 HE1 TYR 658 HE1 TYR 658 4.289 4.363 10.046 597 HE2 TYR 658 HE2 TYR 658 0.647 3.454 12.069 598 HH TYR 658 HH TYR 658 2.734 2.153 12.093 599 H LYS 659 H LYS 659 -0.125 6.766 5.320 600 HA LYS 659 HA LYS 659 -1.832 9.052 5.422 601 HB2 LYS 659 HB2 LYS 659 -0.174 7.844 3.243 602 HB3 LYS 659 HB3 LYS 659 -1.229 9.203 2.923 603 HG2 LYS 659 HG2 LYS 659 -0.018 10.545 4.546 604 HG3 LYS 659 HG3 LYS 659 1.028 9.177 4.920 605 HD2 LYS 659 HD2 LYS 659 1.860 9.178 2.608 606 HD3 LYS 659 HD3 LYS 659 0.823 10.552 2.228 607 HE2 LYS 659 HE2 LYS 659 2.005 11.905 3.860 608 HE3 LYS 659 HE3 LYS 659 3.036 10.540 4.272 609 HZ1 LYS 659 HZ1 LYS 659 2.903 11.874 1.619 610 HZ2 LYS 659 HZ2 LYS 659 3.877 10.544 1.997 611 HZ3 LYS 659 HZ3 LYS 659 4.153 12.035 2.747 612 H ILE 660 H ILE 660 -2.125 5.879 3.961 613 HA ILE 660 HA ILE 660 -4.532 6.460 2.507 614 HB ILE 660 HB ILE 660 -3.254 3.816 3.270 615 HG12 ILE 660 HG12 ILE 660 -3.496 5.153 0.562 616 HG13 ILE 660 HG13 ILE 660 -2.093 5.341 1.601 617 HG21 ILE 660 HG21 ILE 660 -5.676 4.344 1.542 618 HG22 ILE 660 HG22 ILE 660 -5.626 3.436 3.053 619 HG23 ILE 660 HG23 ILE 660 -4.821 2.806 1.617 620 HD11 ILE 660 HD11 ILE 660 -3.057 2.847 0.227 621 HD12 ILE 660 HD12 ILE 660 -1.823 2.831 1.493 622 HD13 ILE 660 HD13 ILE 660 -1.535 3.709 -0.013 623 H GLN 661 H GLN 661 -3.745 5.312 5.699 624 HA GLN 661 HA GLN 661 -6.371 4.742 6.611 625 HB2 GLN 661 HB2 GLN 661 -3.798 5.430 8.012 626 HB3 GLN 661 HB3 GLN 661 -5.283 5.133 8.897 627 HG2 GLN 661 HG2 GLN 661 -5.386 2.879 8.061 628 HG3 GLN 661 HG3 GLN 661 -4.022 3.161 6.997 629 HE21 GLN 661 HE21 GLN 661 -3.705 1.004 8.459 630 HE22 GLN 661 HE22 GLN 661 -2.659 1.260 9.811 631 H LYS 662 H LYS 662 -4.701 7.691 6.010 632 HA LYS 662 HA LYS 662 -6.293 9.377 7.740 633 HB2 LYS 662 HB2 LYS 662 -3.972 9.970 7.141 634 HB3 LYS 662 HB3 LYS 662 -4.468 10.129 5.471 635 HG2 LYS 662 HG2 LYS 662 -6.078 11.939 6.330 636 HG3 LYS 662 HG3 LYS 662 -5.109 11.919 7.784 637 HD2 LYS 662 HD2 LYS 662 -4.278 13.680 6.453 638 HD3 LYS 662 HD3 LYS 662 -3.112 12.377 6.290 639 HE2 LYS 662 HE2 LYS 662 -4.110 11.760 4.180 640 HE3 LYS 662 HE3 LYS 662 -5.286 13.049 4.333 641 HZ1 LYS 662 HZ1 LYS 662 -3.461 13.697 2.883 642 HZ2 LYS 662 HZ2 LYS 662 -2.345 13.419 4.123 643 HZ3 LYS 662 HZ3 LYS 662 -3.487 14.659 4.276 644 H GLU 663 H GLU 663 -6.289 8.523 4.303 645 HA GLU 663 HA GLU 663 -8.166 10.477 3.486 646 HB2 GLU 663 HB2 GLU 663 -7.132 7.969 2.185 647 HB3 GLU 663 HB3 GLU 663 -8.274 9.033 1.412 648 HG2 GLU 663 HG2 GLU 663 -5.496 9.780 2.264 649 HG3 GLU 663 HG3 GLU 663 -6.023 9.422 0.627 650 H LEU 664 H LEU 664 -8.503 7.029 4.259 651 HA LEU 664 HA LEU 664 -11.288 6.810 3.947 652 HB2 LEU 664 HB2 LEU 664 -9.413 5.334 5.797 653 HB3 LEU 664 HB3 LEU 664 -11.105 4.936 5.650 654 HG LEU 664 HG LEU 664 -9.119 4.762 3.376 655 HD11 LEU 664 HD11 LEU 664 -10.218 2.475 4.986 656 HD12 LEU 664 HD12 LEU 664 -8.620 3.178 5.225 657 HD13 LEU 664 HD13 LEU 664 -9.023 2.407 3.690 658 HD21 LEU 664 HD21 LEU 664 -11.839 3.519 3.556 659 HD22 LEU 664 HD22 LEU 664 -10.776 3.600 2.154 660 HD23 LEU 664 HD23 LEU 664 -11.535 5.067 2.774 661 H GLU 665 H GLU 665 -9.442 8.378 6.410 662 HA GLU 665 HA GLU 665 -11.411 8.382 8.484 663 HB2 GLU 665 HB2 GLU 665 -8.841 9.826 7.967 664 HB3 GLU 665 HB3 GLU 665 -9.900 10.412 9.239 665 HG2 GLU 665 HG2 GLU 665 -9.153 7.526 9.200 666 HG3 GLU 665 HG3 GLU 665 -7.967 8.712 9.743 667 H GLU 666 H GLU 666 -11.027 10.171 5.571 668 HA GLU 666 HA GLU 666 -12.542 12.488 6.246 669 HB2 GLU 666 HB2 GLU 666 -11.877 11.190 3.603 670 HB3 GLU 666 HB3 GLU 666 -12.822 12.668 3.723 671 HG2 GLU 666 HG2 GLU 666 -9.993 12.290 4.687 672 HG3 GLU 666 HG3 GLU 666 -10.490 13.138 3.226 673 H LYS 667 H LYS 667 -13.383 9.232 5.409 674 HA LYS 667 HA LYS 667 -16.178 9.782 4.878 675 HB2 LYS 667 HB2 LYS 667 -14.810 7.142 5.424 676 HB3 LYS 667 HB3 LYS 667 -16.451 7.359 4.848 677 HG2 LYS 667 HG2 LYS 667 -13.969 8.161 3.339 678 HG3 LYS 667 HG3 LYS 667 -14.905 6.692 3.062 679 HD2 LYS 667 HD2 LYS 667 -16.871 8.079 2.496 680 HD3 LYS 667 HD3 LYS 667 -15.896 9.527 2.712 681 HE2 LYS 667 HE2 LYS 667 -15.363 7.362 0.695 682 HE3 LYS 667 HE3 LYS 667 -16.165 8.887 0.344 683 HZ1 LYS 667 HZ1 LYS 667 -13.372 8.579 1.314 684 HZ2 LYS 667 HZ2 LYS 667 -14.142 10.052 1.004 685 HZ3 LYS 667 HZ3 LYS 667 -13.836 8.977 -0.264 686 H ARG 668 H ARG 668 -14.161 9.027 7.589 687 HA ARG 668 HA ARG 668 -16.335 8.279 9.346 688 HB2 ARG 668 HB2 ARG 668 -13.374 8.580 9.803 689 HB3 ARG 668 HB3 ARG 668 -14.516 8.063 11.017 690 HG2 ARG 668 HG2 ARG 668 -15.015 6.058 9.796 691 HG3 ARG 668 HG3 ARG 668 -14.039 6.612 8.437 692 HD2 ARG 668 HD2 ARG 668 -12.048 6.591 9.922 693 HD3 ARG 668 HD3 ARG 668 -13.059 5.917 11.200 694 HE ARG 668 HE ARG 668 -13.417 4.158 9.194 695 HH11 ARG 668 HH11 ARG 668 -10.483 5.475 10.615 696 HH12 ARG 668 HH12 ARG 668 -9.550 4.053 10.282 697 HH21 ARG 668 HH21 ARG 668 -12.172 2.312 8.771 698 HH22 ARG 668 HH22 ARG 668 -10.504 2.268 9.237 699 H ARG 669 H ARG 669 -14.630 11.138 8.473 700 HA ARG 669 HA ARG 669 -15.333 12.575 10.912 701 HB2 ARG 669 HB2 ARG 669 -13.776 13.390 8.449 702 HB3 ARG 669 HB3 ARG 669 -14.096 14.471 9.796 703 HG2 ARG 669 HG2 ARG 669 -12.709 13.272 11.241 704 HG3 ARG 669 HG3 ARG 669 -12.682 11.853 10.189 705 HD2 ARG 669 HD2 ARG 669 -11.438 13.134 8.516 706 HD3 ARG 669 HD3 ARG 669 -11.480 14.542 9.576 707 HE ARG 669 HE ARG 669 -10.326 12.548 11.069 708 HH11 ARG 669 HH11 ARG 669 -9.541 14.109 8.020 709 HH12 ARG 669 HH12 ARG 669 -7.836 13.862 8.203 710 HH21 ARG 669 HH21 ARG 669 -8.091 12.237 11.284 711 HH22 ARG 669 HH22 ARG 669 -7.019 12.804 10.047 712 H SER 670 H SER 670 -16.466 12.197 7.644 713 HA SER 670 HA SER 670 -18.111 14.602 7.738 714 HB2 SER 670 HB2 SER 670 -18.700 14.003 5.411 715 HB3 SER 670 HB3 SER 670 -16.960 14.148 5.653 716 HG SER 670 HG SER 670 -16.772 12.145 5.062 717 H ARG 671 H ARG 671 -18.501 11.073 7.681 718 HA ARG 671 HA ARG 671 -20.245 9.667 8.060 719 HB2 ARG 671 HB2 ARG 671 -20.025 10.614 10.292 720 HB3 ARG 671 HB3 ARG 671 -21.157 11.891 9.872 721 HG2 ARG 671 HG2 ARG 671 -22.940 10.269 9.620 722 HG3 ARG 671 HG3 ARG 671 -21.813 8.950 9.911 723 HD2 ARG 671 HD2 ARG 671 -21.362 9.847 12.144 724 HD3 ARG 671 HD3 ARG 671 -22.536 11.119 11.823 725 HE ARG 671 HE ARG 671 -23.103 8.321 12.409 726 HH11 ARG 671 HH11 ARG 671 -24.408 11.435 11.437 727 HH12 ARG 671 HH12 ARG 671 -26.036 11.009 11.850 728 HH21 ARG 671 HH21 ARG 671 -25.239 7.789 12.941 729 HH22 ARG 671 HH22 ARG 671 -26.504 8.949 12.702 730 H LEU 672 H LEU 672 -21.244 9.461 6.123 731 HA LEU 672 HA LEU 672 -22.602 9.794 4.331 732 HB2 LEU 672 HB2 LEU 672 -23.949 8.594 5.919 733 HB3 LEU 672 HB3 LEU 672 -24.529 10.086 6.633 734 HG LEU 672 HG LEU 672 -25.651 10.613 4.461 735 HD11 LEU 672 HD11 LEU 672 -24.862 7.798 3.715 736 HD12 LEU 672 HD12 LEU 672 -24.237 9.273 2.981 737 HD13 LEU 672 HD13 LEU 672 -25.940 8.856 2.802 738 HD21 LEU 672 HD21 LEU 672 -26.897 9.607 6.283 739 HD22 LEU 672 HD22 LEU 672 -26.418 7.998 5.744 740 HD23 LEU 672 HD23 LEU 672 -27.465 8.991 4.730 741 H1 GLY 519 H1 GLY 519 12.951 13.630 -18.017 742 H2 GLY 519 H2 GLY 519 12.792 14.401 -16.520 743 H3 GLY 519 H3 GLY 519 12.857 15.319 -17.940 744 HA2 GLY 519 HA2 GLY 519 10.761 14.367 -18.685 745 HA3 GLY 519 HA3 GLY 519 10.692 13.423 -17.203 746 H SER 520 H SER 520 9.357 15.974 -18.627 747 HA SER 520 HA SER 520 9.146 17.590 -16.177 748 HB2 SER 520 HB2 SER 520 9.892 18.982 -17.950 749 HB3 SER 520 HB3 SER 520 8.752 18.275 -19.092 750 HG SER 520 HG SER 520 7.721 19.536 -16.822 751 HA PRO 521 HA PRO 521 4.991 15.843 -15.885 752 HB2 PRO 521 HB2 PRO 521 4.195 17.189 -13.649 753 HB3 PRO 521 HB3 PRO 521 5.274 15.798 -13.610 754 HG2 PRO 521 HG2 PRO 521 5.923 18.629 -13.431 755 HG3 PRO 521 HG3 PRO 521 6.596 17.373 -12.634 756 HD2 PRO 521 HD2 PRO 521 7.715 18.545 -14.630 757 HD3 PRO 521 HD3 PRO 521 8.032 17.000 -14.205 758 H GLY 522 H GLY 522 5.636 19.289 -16.045 759 HA2 GLY 522 HA2 GLY 522 4.370 20.584 -17.680 760 HA3 GLY 522 HA3 GLY 522 2.936 19.705 -17.171 761 H TYR 523 H TYR 523 2.413 19.965 -14.773 762 HA TYR 523 HA TYR 523 2.839 22.768 -13.991 763 HB2 TYR 523 HB2 TYR 523 0.337 21.125 -13.523 764 HB3 TYR 523 HB3 TYR 523 0.579 22.787 -13.012 765 HD1 TYR 523 HD1 TYR 523 -0.116 20.582 -15.862 766 HD2 TYR 523 HD2 TYR 523 0.447 24.615 -14.623 767 HE1 TYR 523 HE1 TYR 523 -1.081 21.364 -17.983 768 HE2 TYR 523 HE2 TYR 523 -0.514 25.405 -16.743 769 HH TYR 523 HH TYR 523 -2.191 23.376 -18.874 770 HA PRO 524 HA PRO 524 4.598 20.511 -10.371 771 HB2 PRO 524 HB2 PRO 524 6.172 22.528 -9.485 772 HB3 PRO 524 HB3 PRO 524 6.664 21.441 -10.789 773 HG2 PRO 524 HG2 PRO 524 5.564 24.157 -11.018 774 HG3 PRO 524 HG3 PRO 524 6.812 23.499 -11.841 775 HD2 PRO 524 HD2 PRO 524 4.416 23.612 -12.935 776 HD3 PRO 524 HD3 PRO 524 5.420 22.371 -13.281 777 H ASN 525 H ASN 525 2.631 23.286 -10.653 778 HA ASN 525 HA ASN 525 2.544 23.937 -7.831 779 HB2 ASN 525 HB2 ASN 525 1.057 25.012 -10.228 780 HB3 ASN 525 HB3 ASN 525 0.738 25.557 -8.586 781 HD21 ASN 525 HD21 ASN 525 1.604 27.183 -10.718 782 HD22 ASN 525 HD22 ASN 525 3.161 27.813 -10.311 783 H GLY 526 H GLY 526 0.844 21.827 -9.952 784 HA2 GLY 526 HA2 GLY 526 -1.484 21.661 -8.169 785 HA3 GLY 526 HA3 GLY 526 -1.358 20.943 -9.767 786 H LEU 527 H LEU 527 -2.258 19.659 -7.377 787 HA LEU 527 HA LEU 527 -0.157 17.640 -7.001 788 HB2 LEU 527 HB2 LEU 527 -2.252 18.510 -5.023 789 HB3 LEU 527 HB3 LEU 527 -1.243 17.112 -4.795 790 HG LEU 527 HG LEU 527 -0.256 19.972 -4.906 791 HD11 LEU 527 HD11 LEU 527 0.089 19.793 -2.512 792 HD12 LEU 527 HD12 LEU 527 -0.645 18.192 -2.520 793 HD13 LEU 527 HD13 LEU 527 -1.610 19.602 -2.941 794 HD21 LEU 527 HD21 LEU 527 1.831 18.998 -3.926 795 HD22 LEU 527 HD22 LEU 527 1.515 18.550 -5.602 796 HD23 LEU 527 HD23 LEU 527 1.185 17.398 -4.308 797 H LEU 528 H LEU 528 -2.144 17.696 -9.108 798 HA LEU 528 HA LEU 528 -4.147 15.737 -8.534 799 HB2 LEU 528 HB2 LEU 528 -3.105 16.800 -11.166 800 HB3 LEU 528 HB3 LEU 528 -4.517 15.787 -11.006 801 HG LEU 528 HG LEU 528 -4.266 18.565 -9.830 802 HD11 LEU 528 HD11 LEU 528 -5.829 19.189 -11.641 803 HD12 LEU 528 HD12 LEU 528 -5.630 17.578 -12.331 804 HD13 LEU 528 HD13 LEU 528 -4.253 18.677 -12.242 805 HD21 LEU 528 HD21 LEU 528 -5.848 17.081 -8.647 806 HD22 LEU 528 HD22 LEU 528 -6.679 16.777 -10.171 807 HD23 LEU 528 HD23 LEU 528 -6.663 18.402 -9.484 808 H SER 529 H SER 529 -0.883 15.518 -8.890 809 HA SER 529 HA SER 529 -0.974 12.643 -9.364 810 HB2 SER 529 HB2 SER 529 -0.476 13.593 -11.588 811 HB3 SER 529 HB3 SER 529 0.891 14.474 -10.909 812 HG SER 529 HG SER 529 2.036 12.736 -11.116 813 H GLY 530 H GLY 530 -0.491 12.299 -7.235 814 HA2 GLY 530 HA2 GLY 530 2.269 12.541 -6.460 815 HA3 GLY 530 HA3 GLY 530 1.207 13.609 -5.550 816 H ASP 531 H ASP 531 -0.396 12.703 -4.195 817 HA ASP 531 HA ASP 531 -0.147 9.826 -3.640 818 HB2 ASP 531 HB2 ASP 531 0.032 12.113 -1.677 819 HB3 ASP 531 HB3 ASP 531 -0.424 10.496 -1.159 820 H GLU 532 H GLU 532 -2.109 12.312 -4.483 821 HA GLU 532 HA GLU 532 -4.488 11.368 -3.110 822 HB2 GLU 532 HB2 GLU 532 -3.873 13.852 -4.673 823 HB3 GLU 532 HB3 GLU 532 -5.478 13.455 -4.121 824 HG2 GLU 532 HG2 GLU 532 -4.631 13.453 -1.806 825 HG3 GLU 532 HG3 GLU 532 -3.057 13.951 -2.414 826 H ASP 533 H ASP 533 -2.928 10.712 -5.849 827 HA ASP 533 HA ASP 533 -5.022 10.826 -7.806 828 HB2 ASP 533 HB2 ASP 533 -2.616 11.076 -8.381 829 HB3 ASP 533 HB3 ASP 533 -2.356 9.392 -7.943 830 H PHE 534 H PHE 534 -3.572 8.215 -5.856 831 HA PHE 534 HA PHE 534 -5.386 6.274 -7.024 832 HB2 PHE 534 HB2 PHE 534 -3.204 5.959 -4.960 833 HB3 PHE 534 HB3 PHE 534 -4.239 4.641 -5.474 834 HD1 PHE 534 HD1 PHE 534 -1.666 7.037 -6.655 835 HD2 PHE 534 HD2 PHE 534 -3.769 3.413 -7.418 836 HE1 PHE 534 HE1 PHE 534 -0.118 6.522 -8.499 837 HE2 PHE 534 HE2 PHE 534 -2.243 2.896 -9.250 838 HZ PHE 534 HZ PHE 534 -0.399 4.449 -9.798 839 H SER 535 H SER 535 -5.447 8.467 -4.519 840 HA SER 535 HA SER 535 -7.024 7.138 -2.568 841 HB2 SER 535 HB2 SER 535 -7.317 9.290 -1.575 842 HB3 SER 535 HB3 SER 535 -5.694 9.283 -2.263 843 HG SER 535 HG SER 535 -6.276 10.933 -3.406 844 H SER 536 H SER 536 -7.770 8.520 -5.634 845 HA SER 536 HA SER 536 -10.618 8.730 -5.228 846 HB2 SER 536 HB2 SER 536 -10.665 9.121 -7.693 847 HB3 SER 536 HB3 SER 536 -9.540 10.188 -6.853 848 HG SER 536 HG SER 536 -9.041 8.413 -8.809 849 H ILE 537 H ILE 537 -8.350 6.345 -6.285 850 HA ILE 537 HA ILE 537 -10.363 4.523 -7.300 851 HB ILE 537 HB ILE 537 -7.365 4.256 -6.984 852 HG12 ILE 537 HG12 ILE 537 -8.980 4.341 -9.548 853 HG13 ILE 537 HG13 ILE 537 -8.243 5.757 -8.819 854 HG21 ILE 537 HG21 ILE 537 -8.307 2.040 -6.684 855 HG22 ILE 537 HG22 ILE 537 -7.454 2.145 -8.224 856 HG23 ILE 537 HG23 ILE 537 -9.217 2.201 -8.188 857 HD11 ILE 537 HD11 ILE 537 -6.019 4.724 -9.137 858 HD12 ILE 537 HD12 ILE 537 -6.891 4.964 -10.651 859 HD13 ILE 537 HD13 ILE 537 -6.796 3.355 -9.937 860 H ALA 538 H ALA 538 -8.503 5.008 -4.363 861 HA ALA 538 HA ALA 538 -9.151 2.416 -3.314 862 HB1 ALA 538 HB1 ALA 538 -7.816 4.727 -1.924 863 HB2 ALA 538 HB2 ALA 538 -6.984 3.450 -2.810 864 HB3 ALA 538 HB3 ALA 538 -7.883 3.063 -1.342 865 H ASP 539 H ASP 539 -10.702 5.338 -3.418 866 HA ASP 539 HA ASP 539 -12.449 4.690 -1.149 867 HB2 ASP 539 HB2 ASP 539 -12.082 7.234 -2.748 868 HB3 ASP 539 HB3 ASP 539 -13.399 7.020 -1.599 869 H MET 540 H MET 540 -12.146 4.303 -4.423 870 HA MET 540 HA MET 540 -15.004 4.080 -5.001 871 HB2 MET 540 HB2 MET 540 -13.496 5.112 -6.658 872 HB3 MET 540 HB3 MET 540 -12.555 3.636 -6.723 873 HG2 MET 540 HG2 MET 540 -14.643 2.470 -7.528 874 HG3 MET 540 HG3 MET 540 -15.374 4.064 -7.687 875 HE1 MET 540 HE1 MET 540 -13.380 6.017 -8.962 876 HE2 MET 540 HE2 MET 540 -14.980 5.683 -9.627 877 HE3 MET 540 HE3 MET 540 -13.565 5.660 -10.679 878 H ASP 541 H ASP 541 -12.139 2.190 -4.414 879 HA ASP 541 HA ASP 541 -13.375 -0.334 -5.133 880 HB2 ASP 541 HB2 ASP 541 -10.618 0.442 -4.207 881 HB3 ASP 541 HB3 ASP 541 -11.111 -1.234 -4.371 882 H PHE 542 H PHE 542 -12.945 1.567 -2.265 883 HA PHE 542 HA PHE 542 -12.989 -0.569 -0.359 884 HB2 PHE 542 HB2 PHE 542 -12.126 1.717 0.126 885 HB3 PHE 542 HB3 PHE 542 -13.772 2.329 0.026 886 HD1 PHE 542 HD1 PHE 542 -11.666 -0.105 1.901 887 HD2 PHE 542 HD2 PHE 542 -15.084 2.433 1.933 888 HE1 PHE 542 HE1 PHE 542 -11.983 -0.568 4.296 889 HE2 PHE 542 HE2 PHE 542 -15.404 1.976 4.329 890 HZ PHE 542 HZ PHE 542 -13.852 0.475 5.513 891 H SER 543 H SER 543 -15.436 1.164 -2.127 892 HA SER 543 HA SER 543 -17.653 0.277 -0.503 893 HB2 SER 543 HB2 SER 543 -19.051 1.383 -2.168 894 HB3 SER 543 HB3 SER 543 -17.711 2.430 -1.714 895 HG SER 543 HG SER 543 -16.638 1.506 -3.645 896 H ALA 544 H ALA 544 -15.927 -0.869 -3.292 897 HA ALA 544 HA ALA 544 -17.966 -2.756 -4.112 898 HB1 ALA 544 HB1 ALA 544 -16.365 -3.437 -5.815 899 HB2 ALA 544 HB2 ALA 544 -15.115 -2.458 -5.049 900 HB3 ALA 544 HB3 ALA 544 -16.522 -1.680 -5.774 901 H LEU 545 H LEU 545 -15.230 -2.725 -1.998 902 HA LEU 545 HA LEU 545 -14.817 -5.565 -1.936 903 HB2 LEU 545 HB2 LEU 545 -13.791 -3.315 -0.222 904 HB3 LEU 545 HB3 LEU 545 -13.315 -4.980 -0.020 905 HG LEU 545 HG LEU 545 -12.882 -3.497 -2.597 906 HD11 LEU 545 HD11 LEU 545 -11.651 -2.292 -0.916 907 HD12 LEU 545 HD12 LEU 545 -10.529 -3.259 -1.871 908 HD13 LEU 545 HD13 LEU 545 -11.004 -3.798 -0.262 909 HD21 LEU 545 HD21 LEU 545 -11.680 -6.020 -1.460 910 HD22 LEU 545 HD22 LEU 545 -11.180 -5.249 -2.964 911 HD23 LEU 545 HD23 LEU 545 -12.808 -5.911 -2.812 912 H LEU 546 H LEU 546 -16.988 -3.404 -0.384 913 HA LEU 546 HA LEU 546 -17.500 -5.067 1.930 914 HB2 LEU 546 HB2 LEU 546 -19.028 -2.729 0.781 915 HB3 LEU 546 HB3 LEU 546 -19.461 -3.542 2.262 916 HG LEU 546 HG LEU 546 -16.890 -2.034 1.790 917 HD11 LEU 546 HD11 LEU 546 -17.846 -0.364 3.304 918 HD12 LEU 546 HD12 LEU 546 -19.348 -1.286 3.376 919 HD13 LEU 546 HD13 LEU 546 -18.834 -0.554 1.855 920 HD21 LEU 546 HD21 LEU 546 -18.043 -3.271 4.287 921 HD22 LEU 546 HD22 LEU 546 -16.604 -2.255 4.225 922 HD23 LEU 546 HD23 LEU 546 -16.614 -3.821 3.415 923 H SER 547 H SER 547 -18.658 -4.728 -1.296 924 HA SER 547 HA SER 547 -21.066 -6.263 -1.021 925 HB2 SER 547 HB2 SER 547 -21.249 -6.093 -3.405 926 HB3 SER 547 HB3 SER 547 -20.626 -4.551 -2.821 927 HG SER 547 HG SER 547 -18.490 -5.455 -3.328 928 H GLN 548 H GLN 548 -17.777 -7.110 -1.173 929 HA GLN 548 HA GLN 548 -17.924 -9.516 -2.672 930 HB2 GLN 548 HB2 GLN 548 -15.861 -8.395 -0.808 931 HB3 GLN 548 HB3 GLN 548 -15.673 -9.978 -1.543 932 HG2 GLN 548 HG2 GLN 548 -15.775 -8.947 -3.771 933 HG3 GLN 548 HG3 GLN 548 -15.950 -7.371 -3.015 934 HE21 GLN 548 HE21 GLN 548 -13.865 -8.606 -4.794 935 HE22 GLN 548 HE22 GLN 548 -12.372 -8.305 -3.979 936 H ILE 549 H ILE 549 -18.955 -8.823 0.446 937 HA ILE 549 HA ILE 549 -18.712 -11.619 1.314 938 HB ILE 549 HB ILE 549 -19.262 -10.837 3.608 939 HG12 ILE 549 HG12 ILE 549 -18.821 -8.030 2.554 940 HG13 ILE 549 HG13 ILE 549 -20.403 -8.688 2.949 941 HG21 ILE 549 HG21 ILE 549 -17.064 -9.848 4.065 942 HG22 ILE 549 HG22 ILE 549 -16.841 -9.581 2.335 943 HG23 ILE 549 HG23 ILE 549 -16.971 -11.223 2.965 944 HD11 ILE 549 HD11 ILE 549 -18.122 -8.271 4.871 945 HD12 ILE 549 HD12 ILE 549 -19.692 -8.961 5.278 946 HD13 ILE 549 HD13 ILE 549 -19.579 -7.286 4.739 947 H SER 550 H SER 550 -20.999 -9.344 0.204 948 HA SER 550 HA SER 550 -23.267 -10.831 1.316 949 HB2 SER 550 HB2 SER 550 -24.646 -8.952 0.466 950 HB3 SER 550 HB3 SER 550 -23.376 -8.404 1.560 951 HG SER 550 HG SER 550 -22.176 -7.745 -0.235 952 H SER 551 H SER 551 -21.843 -9.875 -1.788 953 HA SER 551 HA SER 551 -23.651 -11.761 -3.150 954 HB2 SER 551 HB2 SER 551 -23.991 -9.478 -3.941 955 HB3 SER 551 HB3 SER 551 -22.267 -9.306 -4.269 956 HG SER 551 HG SER 551 -23.274 -9.821 -6.182 Start of MODEL 10 1 H1 GLY 586 H1 GLY 586 23.002 -5.890 -8.840 2 H2 GLY 586 H2 GLY 586 23.330 -5.404 -7.252 3 H3 GLY 586 H3 GLY 586 23.104 -7.043 -7.605 4 HA2 GLY 586 HA2 GLY 586 25.103 -7.061 -8.965 5 HA3 GLY 586 HA3 GLY 586 25.339 -5.358 -8.596 6 H VAL 587 H VAL 587 25.716 -4.763 -6.355 7 HA VAL 587 HA VAL 587 27.393 -6.734 -5.004 8 HB VAL 587 HB VAL 587 26.988 -3.779 -4.443 9 HG11 VAL 587 HG11 VAL 587 28.896 -3.947 -2.905 10 HG12 VAL 587 HG12 VAL 587 28.922 -5.695 -3.139 11 HG13 VAL 587 HG13 VAL 587 27.533 -4.930 -2.367 12 HG21 VAL 587 HG21 VAL 587 29.289 -3.523 -5.262 13 HG22 VAL 587 HG22 VAL 587 28.221 -4.183 -6.502 14 HG23 VAL 587 HG23 VAL 587 29.336 -5.246 -5.645 15 H ARG 588 H ARG 588 26.927 -7.681 -3.091 16 HA ARG 588 HA ARG 588 24.231 -7.340 -2.046 17 HB2 ARG 588 HB2 ARG 588 25.085 -9.624 -2.580 18 HB3 ARG 588 HB3 ARG 588 26.286 -9.441 -1.314 19 HG2 ARG 588 HG2 ARG 588 24.278 -9.090 0.263 20 HG3 ARG 588 HG3 ARG 588 23.312 -9.758 -1.053 21 HD2 ARG 588 HD2 ARG 588 23.801 -11.626 0.244 22 HD3 ARG 588 HD3 ARG 588 25.019 -11.695 -1.027 23 HE ARG 588 HE ARG 588 25.794 -10.359 1.437 24 HH11 ARG 588 HH11 ARG 588 25.910 -13.327 -0.442 25 HH12 ARG 588 HH12 ARG 588 27.256 -13.967 0.442 26 HH21 ARG 588 HH21 ARG 588 27.551 -11.220 2.579 27 HH22 ARG 588 HH22 ARG 588 28.183 -12.774 2.150 28 H LYS 589 H LYS 589 23.728 -6.381 -0.198 29 HA LYS 589 HA LYS 589 25.908 -5.623 1.632 30 HB2 LYS 589 HB2 LYS 589 23.317 -4.157 1.081 31 HB3 LYS 589 HB3 LYS 589 24.498 -3.677 2.288 32 HG2 LYS 589 HG2 LYS 589 26.139 -3.270 0.514 33 HG3 LYS 589 HG3 LYS 589 24.959 -3.777 -0.694 34 HD2 LYS 589 HD2 LYS 589 23.481 -1.924 0.033 35 HD3 LYS 589 HD3 LYS 589 24.740 -1.396 1.150 36 HE2 LYS 589 HE2 LYS 589 26.261 -1.012 -0.699 37 HE3 LYS 589 HE3 LYS 589 25.064 -1.621 -1.841 38 HZ1 LYS 589 HZ1 LYS 589 25.099 0.791 -1.803 39 HZ2 LYS 589 HZ2 LYS 589 24.764 0.800 -0.146 40 HZ3 LYS 589 HZ3 LYS 589 23.612 0.216 -1.238 41 H GLY 590 H GLY 590 24.555 -4.856 3.878 42 HA2 GLY 590 HA2 GLY 590 24.062 -7.325 5.146 43 HA3 GLY 590 HA3 GLY 590 23.758 -5.745 5.840 44 H TRP 591 H TRP 591 21.781 -4.839 4.043 45 HA TRP 591 HA TRP 591 19.464 -6.031 5.176 46 HB2 TRP 591 HB2 TRP 591 18.211 -4.370 4.064 47 HB3 TRP 591 HB3 TRP 591 19.725 -3.601 4.496 48 HD1 TRP 591 HD1 TRP 591 21.390 -2.965 2.412 49 HE1 TRP 591 HE1 TRP 591 20.891 -2.524 -0.072 50 HE3 TRP 591 HE3 TRP 591 16.714 -5.037 2.139 51 HZ2 TRP 591 HZ2 TRP 591 18.789 -2.979 -1.900 52 HZ3 TRP 591 HZ3 TRP 591 15.528 -4.980 -0.014 53 HH2 TRP 591 HH2 TRP 591 16.546 -3.971 -1.990 54 H HIS 592 H HIS 592 21.036 -6.429 2.064 55 HA HIS 592 HA HIS 592 18.919 -7.912 0.846 56 HB2 HIS 592 HB2 HIS 592 20.799 -6.657 -0.341 57 HB3 HIS 592 HB3 HIS 592 21.846 -8.005 0.076 58 HD1 HIS 592 HD1 HIS 592 19.196 -6.959 -2.296 59 HD2 HIS 592 HD2 HIS 592 21.272 -10.427 -1.329 60 HE1 HIS 592 HE1 HIS 592 18.742 -8.561 -4.180 61 HE2 HIS 592 HE2 HIS 592 20.065 -10.627 -3.607 62 H GLU 593 H GLU 593 21.356 -8.741 3.145 63 HA GLU 593 HA GLU 593 21.600 -11.501 2.552 64 HB2 GLU 593 HB2 GLU 593 22.390 -9.696 4.806 65 HB3 GLU 593 HB3 GLU 593 22.561 -11.424 4.948 66 HG2 GLU 593 HG2 GLU 593 24.076 -11.516 3.117 67 HG3 GLU 593 HG3 GLU 593 23.775 -9.826 2.726 68 H HIS 594 H HIS 594 19.405 -9.605 4.538 69 HA HIS 594 HA HIS 594 18.266 -12.087 5.619 70 HB2 HIS 594 HB2 HIS 594 17.980 -9.279 6.684 71 HB3 HIS 594 HB3 HIS 594 17.168 -10.688 7.357 72 HD1 HIS 594 HD1 HIS 594 19.005 -12.619 8.180 73 HD2 HIS 594 HD2 HIS 594 20.268 -8.671 7.939 74 HE1 HIS 594 HE1 HIS 594 21.027 -12.472 9.664 75 HE2 HIS 594 HE2 HIS 594 21.847 -10.105 9.403 76 H VAL 595 H VAL 595 17.494 -9.344 3.586 77 HA VAL 595 HA VAL 595 14.658 -9.855 3.666 78 HB VAL 595 HB VAL 595 16.289 -8.050 1.845 79 HG11 VAL 595 HG11 VAL 595 14.173 -7.141 0.985 80 HG12 VAL 595 HG12 VAL 595 13.281 -8.383 1.860 81 HG13 VAL 595 HG13 VAL 595 14.368 -8.840 0.548 82 HG21 VAL 595 HG21 VAL 595 14.815 -6.322 3.035 83 HG22 VAL 595 HG22 VAL 595 16.137 -7.055 3.942 84 HG23 VAL 595 HG23 VAL 595 14.477 -7.612 4.195 85 H THR 596 H THR 596 13.529 -11.227 2.472 86 HA THR 596 HA THR 596 14.979 -12.835 0.471 87 HB THR 596 HB THR 596 13.468 -14.684 0.998 88 HG1 THR 596 HG1 THR 596 11.889 -14.488 2.558 89 HG21 THR 596 HG21 THR 596 15.518 -14.506 2.311 90 HG22 THR 596 HG22 THR 596 14.202 -15.186 3.269 91 HG23 THR 596 HG23 THR 596 14.678 -13.504 3.494 92 H GLN 597 H GLN 597 13.217 -14.116 -0.907 93 HA GLN 597 HA GLN 597 11.589 -12.282 -2.372 94 HB2 GLN 597 HB2 GLN 597 11.677 -15.314 -2.412 95 HB3 GLN 597 HB3 GLN 597 10.743 -14.333 -3.526 96 HG2 GLN 597 HG2 GLN 597 12.815 -13.339 -4.378 97 HG3 GLN 597 HG3 GLN 597 13.736 -14.349 -3.272 98 HE21 GLN 597 HE21 GLN 597 11.147 -16.130 -4.238 99 HE22 GLN 597 HE22 GLN 597 11.844 -16.962 -5.581 100 H ASP 598 H ASP 598 11.193 -14.067 0.512 101 HA ASP 598 HA ASP 598 8.299 -14.269 0.377 102 HB2 ASP 598 HB2 ASP 598 10.327 -14.960 2.516 103 HB3 ASP 598 HB3 ASP 598 8.593 -15.117 2.766 104 H LEU 599 H LEU 599 10.708 -12.121 1.913 105 HA LEU 599 HA LEU 599 8.833 -10.657 3.454 106 HB2 LEU 599 HB2 LEU 599 11.510 -9.819 2.344 107 HB3 LEU 599 HB3 LEU 599 10.545 -8.765 3.346 108 HG LEU 599 HG LEU 599 12.117 -11.196 4.115 109 HD11 LEU 599 HD11 LEU 599 11.666 -8.600 5.566 110 HD12 LEU 599 HD12 LEU 599 12.899 -8.811 4.332 111 HD13 LEU 599 HD13 LEU 599 12.965 -9.772 5.803 112 HD21 LEU 599 HD21 LEU 599 10.063 -11.855 5.099 113 HD22 LEU 599 HD22 LEU 599 9.673 -10.200 5.567 114 HD23 LEU 599 HD23 LEU 599 10.978 -11.059 6.377 115 H ARG 600 H ARG 600 10.105 -10.079 0.169 116 HA ARG 600 HA ARG 600 8.886 -7.630 -0.311 117 HB2 ARG 600 HB2 ARG 600 9.583 -9.831 -2.269 118 HB3 ARG 600 HB3 ARG 600 9.092 -8.218 -2.753 119 HG2 ARG 600 HG2 ARG 600 11.056 -7.267 -1.695 120 HG3 ARG 600 HG3 ARG 600 11.535 -8.857 -1.107 121 HD2 ARG 600 HD2 ARG 600 12.831 -8.322 -3.066 122 HD3 ARG 600 HD3 ARG 600 11.715 -9.628 -3.454 123 HE ARG 600 HE ARG 600 10.596 -8.225 -4.906 124 HH11 ARG 600 HH11 ARG 600 12.945 -6.334 -3.098 125 HH12 ARG 600 HH12 ARG 600 12.780 -4.945 -4.119 126 HH21 ARG 600 HH21 ARG 600 10.400 -6.394 -6.227 127 HH22 ARG 600 HH22 ARG 600 11.341 -4.979 -5.887 128 H SER 601 H SER 601 7.445 -10.782 -0.294 129 HA SER 601 HA SER 601 4.984 -9.955 -1.584 130 HB2 SER 601 HB2 SER 601 4.259 -12.249 -1.208 131 HB3 SER 601 HB3 SER 601 5.918 -12.272 -1.796 132 HG SER 601 HG SER 601 6.634 -12.652 0.290 133 H HIS 602 H HIS 602 6.181 -10.466 1.700 134 HA HIS 602 HA HIS 602 3.606 -10.286 2.970 135 HB2 HIS 602 HB2 HIS 602 6.422 -10.222 4.078 136 HB3 HIS 602 HB3 HIS 602 4.979 -10.213 5.080 137 HD1 HIS 602 HD1 HIS 602 6.849 -12.479 5.558 138 HD2 HIS 602 HD2 HIS 602 3.878 -12.653 2.659 139 HE1 HIS 602 HE1 HIS 602 6.437 -14.928 5.164 140 HE2 HIS 602 HE2 HIS 602 4.675 -15.010 3.364 141 H LEU 603 H LEU 603 6.124 -8.060 2.092 142 HA LEU 603 HA LEU 603 5.295 -5.778 3.576 143 HB2 LEU 603 HB2 LEU 603 6.897 -6.251 1.072 144 HB3 LEU 603 HB3 LEU 603 6.571 -4.627 1.627 145 HG LEU 603 HG LEU 603 8.136 -6.732 3.150 146 HD11 LEU 603 HD11 LEU 603 9.547 -6.110 1.438 147 HD12 LEU 603 HD12 LEU 603 10.016 -5.076 2.793 148 HD13 LEU 603 HD13 LEU 603 9.019 -4.428 1.484 149 HD21 LEU 603 HD21 LEU 603 7.707 -3.836 3.818 150 HD22 LEU 603 HD22 LEU 603 8.884 -4.897 4.587 151 HD23 LEU 603 HD23 LEU 603 7.160 -5.240 4.745 152 H VAL 604 H VAL 604 4.367 -7.180 0.504 153 HA VAL 604 HA VAL 604 2.565 -5.065 -0.291 154 HB VAL 604 HB VAL 604 3.152 -7.835 -1.400 155 HG11 VAL 604 HG11 VAL 604 0.852 -6.579 -1.953 156 HG12 VAL 604 HG12 VAL 604 1.732 -7.543 -3.138 157 HG13 VAL 604 HG13 VAL 604 1.910 -5.791 -3.128 158 HG21 VAL 604 HG21 VAL 604 4.960 -6.103 -1.435 159 HG22 VAL 604 HG22 VAL 604 3.907 -5.132 -2.485 160 HG23 VAL 604 HG23 VAL 604 4.482 -6.723 -3.021 161 H HIS 605 H HIS 605 2.426 -8.145 1.402 162 HA HIS 605 HA HIS 605 -0.449 -8.216 1.613 163 HB2 HIS 605 HB2 HIS 605 0.894 -10.288 1.761 164 HB3 HIS 605 HB3 HIS 605 1.669 -9.677 3.217 165 HD1 HIS 605 HD1 HIS 605 -1.856 -10.529 2.052 166 HD2 HIS 605 HD2 HIS 605 0.467 -10.514 5.499 167 HE1 HIS 605 HE1 HIS 605 -3.311 -11.519 3.848 168 HE2 HIS 605 HE2 HIS 605 -1.914 -11.424 5.943 169 H LYS 606 H LYS 606 2.099 -6.542 3.106 170 HA LYS 606 HA LYS 606 0.761 -5.860 5.592 171 HB2 LYS 606 HB2 LYS 606 3.252 -5.976 5.370 172 HB3 LYS 606 HB3 LYS 606 3.186 -4.642 4.232 173 HG2 LYS 606 HG2 LYS 606 2.415 -3.143 5.954 174 HG3 LYS 606 HG3 LYS 606 2.312 -4.472 7.111 175 HD2 LYS 606 HD2 LYS 606 4.732 -4.819 6.894 176 HD3 LYS 606 HD3 LYS 606 4.823 -3.473 5.768 177 HE2 LYS 606 HE2 LYS 606 4.020 -1.977 7.486 178 HE3 LYS 606 HE3 LYS 606 3.891 -3.308 8.623 179 HZ1 LYS 606 HZ1 LYS 606 6.401 -2.327 7.371 180 HZ2 LYS 606 HZ2 LYS 606 6.286 -3.615 8.461 181 HZ3 LYS 606 HZ3 LYS 606 5.919 -2.044 8.968 182 H LEU 607 H LEU 607 1.075 -4.770 2.363 183 HA LEU 607 HA LEU 607 0.133 -2.085 2.671 184 HB2 LEU 607 HB2 LEU 607 1.095 -3.894 0.602 185 HB3 LEU 607 HB3 LEU 607 -0.159 -2.851 0.014 186 HG LEU 607 HG LEU 607 2.201 -1.635 1.383 187 HD11 LEU 607 HD11 LEU 607 2.955 -3.281 -0.462 188 HD12 LEU 607 HD12 LEU 607 3.635 -1.659 -0.368 189 HD13 LEU 607 HD13 LEU 607 2.377 -2.022 -1.552 190 HD21 LEU 607 HD21 LEU 607 0.372 -0.755 -0.800 191 HD22 LEU 607 HD22 LEU 607 1.720 0.182 -0.154 192 HD23 LEU 607 HD23 LEU 607 0.359 -0.246 0.890 193 H VAL 608 H VAL 608 -1.194 -4.998 1.096 194 HA VAL 608 HA VAL 608 -3.764 -3.999 0.534 195 HB VAL 608 HB VAL 608 -2.766 -6.857 0.835 196 HG11 VAL 608 HG11 VAL 608 -4.750 -7.551 -0.456 197 HG12 VAL 608 HG12 VAL 608 -5.388 -5.913 -0.320 198 HG13 VAL 608 HG13 VAL 608 -5.169 -6.894 1.127 199 HG21 VAL 608 HG21 VAL 608 -1.697 -5.605 -0.964 200 HG22 VAL 608 HG22 VAL 608 -3.273 -5.169 -1.623 201 HG23 VAL 608 HG23 VAL 608 -2.755 -6.855 -1.619 202 H GLN 609 H GLN 609 -2.425 -5.286 3.488 203 HA GLN 609 HA GLN 609 -4.976 -5.830 4.734 204 HB2 GLN 609 HB2 GLN 609 -2.970 -7.205 5.220 205 HB3 GLN 609 HB3 GLN 609 -2.176 -5.791 5.895 206 HG2 GLN 609 HG2 GLN 609 -3.818 -5.679 7.661 207 HG3 GLN 609 HG3 GLN 609 -4.690 -7.049 6.980 208 HE21 GLN 609 HE21 GLN 609 -3.984 -7.274 9.525 209 HE22 GLN 609 HE22 GLN 609 -2.653 -8.357 9.725 210 H ALA 610 H ALA 610 -2.466 -3.339 4.813 211 HA ALA 610 HA ALA 610 -3.683 -1.725 6.836 212 HB1 ALA 610 HB1 ALA 610 -1.319 -1.576 6.430 213 HB2 ALA 610 HB2 ALA 610 -2.059 -0.018 6.056 214 HB3 ALA 610 HB3 ALA 610 -1.598 -1.114 4.752 215 H ILE 611 H ILE 611 -4.127 -2.090 3.421 216 HA ILE 611 HA ILE 611 -5.559 0.416 3.095 217 HB ILE 611 HB ILE 611 -4.865 -1.816 1.161 218 HG12 ILE 611 HG12 ILE 611 -4.129 1.111 1.104 219 HG13 ILE 611 HG13 ILE 611 -3.130 -0.113 1.861 220 HG21 ILE 611 HG21 ILE 611 -5.855 -0.495 -0.638 221 HG22 ILE 611 HG22 ILE 611 -6.440 0.682 0.538 222 HG23 ILE 611 HG23 ILE 611 -7.084 -0.960 0.541 223 HD11 ILE 611 HD11 ILE 611 -2.608 -1.113 -0.204 224 HD12 ILE 611 HD12 ILE 611 -2.506 0.629 -0.492 225 HD13 ILE 611 HD13 ILE 611 -3.923 -0.274 -1.019 226 H PHE 612 H PHE 612 -6.351 -3.074 2.718 227 HA PHE 612 HA PHE 612 -8.995 -2.536 3.841 228 HB2 PHE 612 HB2 PHE 612 -9.356 -2.538 1.435 229 HB3 PHE 612 HB3 PHE 612 -8.472 -4.047 1.264 230 HD1 PHE 612 HD1 PHE 612 -11.493 -2.578 2.825 231 HD2 PHE 612 HD2 PHE 612 -9.617 -6.078 1.309 232 HE1 PHE 612 HE1 PHE 612 -13.618 -3.810 3.057 233 HE2 PHE 612 HE2 PHE 612 -11.733 -7.321 1.532 234 HZ PHE 612 HZ PHE 612 -13.737 -6.183 2.405 235 HA PRO 613 HA PRO 613 -7.600 -6.222 6.218 236 HB2 PRO 613 HB2 PRO 613 -10.305 -5.818 7.395 237 HB3 PRO 613 HB3 PRO 613 -8.768 -6.112 8.206 238 HG2 PRO 613 HG2 PRO 613 -9.737 -3.730 8.227 239 HG3 PRO 613 HG3 PRO 613 -8.145 -3.902 7.905 240 HD2 PRO 613 HD2 PRO 613 -10.280 -3.491 5.889 241 HD3 PRO 613 HD3 PRO 613 -8.859 -2.690 5.947 242 H THR 614 H THR 614 -7.991 -8.366 5.861 243 HA THR 614 HA THR 614 -9.971 -8.965 3.825 244 HB THR 614 HB THR 614 -7.765 -10.722 4.850 245 HG1 THR 614 HG1 THR 614 -7.077 -10.092 2.510 246 HG21 THR 614 HG21 THR 614 -9.673 -11.001 2.545 247 HG22 THR 614 HG22 THR 614 -9.441 -12.093 3.916 248 HG23 THR 614 HG23 THR 614 -8.182 -11.934 2.689 249 HA PRO 615 HA PRO 615 -12.681 -11.163 6.789 250 HB2 PRO 615 HB2 PRO 615 -14.068 -11.373 4.163 251 HB3 PRO 615 HB3 PRO 615 -14.741 -11.056 5.750 252 HG2 PRO 615 HG2 PRO 615 -14.496 -9.066 4.179 253 HG3 PRO 615 HG3 PRO 615 -13.922 -8.864 5.695 254 HD2 PRO 615 HD2 PRO 615 -12.262 -9.609 3.320 255 HD3 PRO 615 HD3 PRO 615 -11.921 -8.393 4.355 256 H ASP 616 H ASP 616 -12.324 -12.144 3.396 257 HA ASP 616 HA ASP 616 -11.673 -14.892 4.260 258 HB2 ASP 616 HB2 ASP 616 -14.038 -14.427 3.264 259 HB3 ASP 616 HB3 ASP 616 -13.201 -14.408 1.726 260 HA PRO 617 HA PRO 617 -8.014 -14.667 1.667 261 HB2 PRO 617 HB2 PRO 617 -8.502 -17.594 1.408 262 HB3 PRO 617 HB3 PRO 617 -7.051 -16.740 1.944 263 HG2 PRO 617 HG2 PRO 617 -8.588 -17.911 3.700 264 HG3 PRO 617 HG3 PRO 617 -7.934 -16.458 4.056 265 HD2 PRO 617 HD2 PRO 617 -10.604 -17.034 3.288 266 HD3 PRO 617 HD3 PRO 617 -10.086 -15.992 4.434 267 H ALA 618 H ALA 618 -11.098 -15.791 0.604 268 HA ALA 618 HA ALA 618 -10.276 -16.424 -2.106 269 HB1 ALA 618 HB1 ALA 618 -12.049 -17.720 -1.014 270 HB2 ALA 618 HB2 ALA 618 -12.612 -16.953 -2.499 271 HB3 ALA 618 HB3 ALA 618 -13.049 -16.271 -0.932 272 H ALA 619 H ALA 619 -11.430 -13.648 -0.388 273 HA ALA 619 HA ALA 619 -12.559 -12.169 -2.529 274 HB1 ALA 619 HB1 ALA 619 -12.870 -11.624 -0.143 275 HB2 ALA 619 HB2 ALA 619 -12.333 -10.240 -1.097 276 HB3 ALA 619 HB3 ALA 619 -11.187 -11.100 -0.071 277 H LEU 620 H LEU 620 -9.369 -13.130 -2.106 278 HA LEU 620 HA LEU 620 -8.100 -10.734 -3.094 279 HB2 LEU 620 HB2 LEU 620 -6.983 -13.464 -2.433 280 HB3 LEU 620 HB3 LEU 620 -6.019 -12.095 -2.907 281 HG LEU 620 HG LEU 620 -7.643 -12.294 -0.364 282 HD11 LEU 620 HD11 LEU 620 -5.676 -13.786 -0.407 283 HD12 LEU 620 HD12 LEU 620 -5.582 -12.530 0.825 284 HD13 LEU 620 HD13 LEU 620 -4.649 -12.375 -0.662 285 HD21 LEU 620 HD21 LEU 620 -7.382 -9.985 -1.275 286 HD22 LEU 620 HD22 LEU 620 -5.638 -10.170 -1.084 287 HD23 LEU 620 HD23 LEU 620 -6.694 -10.233 0.327 288 H LYS 621 H LYS 621 -9.819 -13.052 -4.616 289 HA LYS 621 HA LYS 621 -8.024 -13.321 -6.930 290 HB2 LYS 621 HB2 LYS 621 -10.543 -14.861 -6.250 291 HB3 LYS 621 HB3 LYS 621 -9.492 -15.179 -7.619 292 HG2 LYS 621 HG2 LYS 621 -8.714 -15.459 -4.715 293 HG3 LYS 621 HG3 LYS 621 -9.177 -16.782 -5.784 294 HD2 LYS 621 HD2 LYS 621 -7.265 -16.316 -7.216 295 HD3 LYS 621 HD3 LYS 621 -6.811 -14.946 -6.202 296 HE2 LYS 621 HE2 LYS 621 -6.596 -16.572 -4.303 297 HE3 LYS 621 HE3 LYS 621 -6.831 -17.860 -5.483 298 HZ1 LYS 621 HZ1 LYS 621 -4.866 -17.103 -6.661 299 HZ2 LYS 621 HZ2 LYS 621 -4.488 -17.479 -5.055 300 HZ3 LYS 621 HZ3 LYS 621 -4.636 -15.863 -5.531 301 H ASP 622 H ASP 622 -9.893 -11.044 -6.034 302 HA ASP 622 HA ASP 622 -11.891 -10.888 -8.119 303 HB2 ASP 622 HB2 ASP 622 -12.351 -10.102 -5.826 304 HB3 ASP 622 HB3 ASP 622 -11.076 -8.899 -5.983 305 H ARG 623 H ARG 623 -12.012 -9.277 -9.696 306 HA ARG 623 HA ARG 623 -9.531 -8.663 -10.990 307 HB2 ARG 623 HB2 ARG 623 -11.466 -9.353 -12.283 308 HB3 ARG 623 HB3 ARG 623 -12.408 -8.006 -11.671 309 HG2 ARG 623 HG2 ARG 623 -11.699 -7.649 -13.980 310 HG3 ARG 623 HG3 ARG 623 -11.016 -6.446 -12.885 311 HD2 ARG 623 HD2 ARG 623 -9.364 -7.205 -14.521 312 HD3 ARG 623 HD3 ARG 623 -8.882 -7.643 -12.883 313 HE ARG 623 HE ARG 623 -10.305 -9.740 -14.218 314 HH11 ARG 623 HH11 ARG 623 -7.121 -8.295 -13.873 315 HH12 ARG 623 HH12 ARG 623 -6.289 -9.747 -14.320 316 HH21 ARG 623 HH21 ARG 623 -9.196 -11.628 -14.796 317 HH22 ARG 623 HH22 ARG 623 -7.464 -11.632 -14.840 318 H ARG 624 H ARG 624 -12.110 -6.696 -9.540 319 HA ARG 624 HA ARG 624 -10.982 -4.161 -10.017 320 HB2 ARG 624 HB2 ARG 624 -12.967 -5.090 -7.936 321 HB3 ARG 624 HB3 ARG 624 -12.531 -3.405 -8.163 322 HG2 ARG 624 HG2 ARG 624 -13.348 -3.579 -10.520 323 HG3 ARG 624 HG3 ARG 624 -13.918 -5.204 -10.150 324 HD2 ARG 624 HD2 ARG 624 -15.781 -3.716 -9.963 325 HD3 ARG 624 HD3 ARG 624 -15.329 -4.212 -8.335 326 HE ARG 624 HE ARG 624 -13.981 -1.885 -8.678 327 HH11 ARG 624 HH11 ARG 624 -17.372 -2.729 -9.045 328 HH12 ARG 624 HH12 ARG 624 -17.930 -1.143 -8.624 329 HH21 ARG 624 HH21 ARG 624 -14.736 0.180 -8.128 330 HH22 ARG 624 HH22 ARG 624 -16.438 0.501 -8.107 331 H MET 625 H MET 625 -10.128 -6.551 -7.698 332 HA MET 625 HA MET 625 -8.999 -4.679 -5.789 333 HB2 MET 625 HB2 MET 625 -10.135 -6.774 -5.057 334 HB3 MET 625 HB3 MET 625 -8.848 -7.699 -5.822 335 HG2 MET 625 HG2 MET 625 -7.244 -6.956 -4.259 336 HG3 MET 625 HG3 MET 625 -8.297 -5.672 -3.671 337 HE1 MET 625 HE1 MET 625 -8.846 -5.982 -1.209 338 HE2 MET 625 HE2 MET 625 -7.273 -6.777 -1.346 339 HE3 MET 625 HE3 MET 625 -8.564 -7.535 -0.415 340 H GLU 626 H GLU 626 -7.820 -7.052 -8.148 341 HA GLU 626 HA GLU 626 -5.117 -6.985 -7.557 342 HB2 GLU 626 HB2 GLU 626 -6.587 -7.582 -10.095 343 HB3 GLU 626 HB3 GLU 626 -4.830 -7.619 -10.036 344 HG2 GLU 626 HG2 GLU 626 -6.579 -9.204 -8.172 345 HG3 GLU 626 HG3 GLU 626 -5.987 -9.823 -9.715 346 H ASN 627 H ASN 627 -6.993 -4.529 -9.058 347 HA ASN 627 HA ASN 627 -4.939 -3.210 -10.518 348 HB2 ASN 627 HB2 ASN 627 -7.638 -2.337 -9.506 349 HB3 ASN 627 HB3 ASN 627 -6.560 -1.217 -10.329 350 HD21 ASN 627 HD21 ASN 627 -9.202 -2.142 -11.154 351 HD22 ASN 627 HD22 ASN 627 -8.994 -2.894 -12.696 352 H LEU 628 H LEU 628 -6.032 -2.967 -7.158 353 HA LEU 628 HA LEU 628 -4.197 -0.779 -6.646 354 HB2 LEU 628 HB2 LEU 628 -5.866 -2.207 -4.581 355 HB3 LEU 628 HB3 LEU 628 -5.063 -0.674 -4.403 356 HG LEU 628 HG LEU 628 -7.512 -1.190 -6.120 357 HD11 LEU 628 HD11 LEU 628 -7.166 0.302 -3.523 358 HD12 LEU 628 HD12 LEU 628 -8.035 -1.218 -3.734 359 HD13 LEU 628 HD13 LEU 628 -8.647 0.264 -4.489 360 HD21 LEU 628 HD21 LEU 628 -7.548 1.277 -6.294 361 HD22 LEU 628 HD22 LEU 628 -6.157 0.541 -7.097 362 HD23 LEU 628 HD23 LEU 628 -5.961 1.316 -5.520 363 H VAL 629 H VAL 629 -4.383 -4.232 -6.155 364 HA VAL 629 HA VAL 629 -2.157 -4.717 -4.550 365 HB VAL 629 HB VAL 629 -3.200 -6.264 -6.941 366 HG11 VAL 629 HG11 VAL 629 -1.989 -8.229 -6.080 367 HG12 VAL 629 HG12 VAL 629 -1.175 -7.187 -4.902 368 HG13 VAL 629 HG13 VAL 629 -0.909 -6.943 -6.632 369 HG21 VAL 629 HG21 VAL 629 -3.571 -6.704 -3.980 370 HG22 VAL 629 HG22 VAL 629 -4.229 -7.720 -5.263 371 HG23 VAL 629 HG23 VAL 629 -4.779 -6.053 -5.086 372 H ALA 630 H ALA 630 -2.384 -4.022 -7.995 373 HA ALA 630 HA ALA 630 0.386 -4.147 -8.610 374 HB1 ALA 630 HB1 ALA 630 -1.931 -2.825 -10.014 375 HB2 ALA 630 HB2 ALA 630 -1.317 -4.459 -10.285 376 HB3 ALA 630 HB3 ALA 630 -0.323 -3.062 -10.712 377 H TYR 631 H TYR 631 -1.647 -1.728 -7.190 378 HA TYR 631 HA TYR 631 0.152 0.489 -7.494 379 HB2 TYR 631 HB2 TYR 631 -2.257 -0.011 -5.722 380 HB3 TYR 631 HB3 TYR 631 -1.318 1.466 -5.627 381 HD1 TYR 631 HD1 TYR 631 -4.164 1.646 -6.091 382 HD2 TYR 631 HD2 TYR 631 -1.026 1.049 -8.923 383 HE1 TYR 631 HE1 TYR 631 -5.544 2.674 -7.850 384 HE2 TYR 631 HE2 TYR 631 -2.413 2.066 -10.682 385 HH TYR 631 HH TYR 631 -4.794 2.465 -11.148 386 H ALA 632 H ALA 632 -0.287 -2.110 -5.169 387 HA ALA 632 HA ALA 632 1.608 -1.028 -3.267 388 HB1 ALA 632 HB1 ALA 632 1.329 -3.208 -2.120 389 HB2 ALA 632 HB2 ALA 632 0.204 -3.680 -3.408 390 HB3 ALA 632 HB3 ALA 632 -0.184 -2.312 -2.365 391 H LYS 633 H LYS 633 1.602 -3.388 -5.893 392 HA LYS 633 HA LYS 633 4.051 -4.679 -5.328 393 HB2 LYS 633 HB2 LYS 633 2.505 -4.303 -7.893 394 HB3 LYS 633 HB3 LYS 633 4.053 -5.119 -7.883 395 HG2 LYS 633 HG2 LYS 633 3.131 -6.836 -6.388 396 HG3 LYS 633 HG3 LYS 633 1.581 -6.005 -6.394 397 HD2 LYS 633 HD2 LYS 633 1.374 -6.410 -8.805 398 HD3 LYS 633 HD3 LYS 633 2.945 -7.202 -8.800 399 HE2 LYS 633 HE2 LYS 633 2.126 -8.955 -7.378 400 HE3 LYS 633 HE3 LYS 633 0.577 -8.136 -7.195 401 HZ1 LYS 633 HZ1 LYS 633 0.433 -9.923 -8.801 402 HZ2 LYS 633 HZ2 LYS 633 1.671 -9.236 -9.728 403 HZ3 LYS 633 HZ3 LYS 633 0.191 -8.434 -9.566 404 H LYS 634 H LYS 634 3.301 -1.604 -6.688 405 HA LYS 634 HA LYS 634 5.829 -1.208 -8.043 406 HB2 LYS 634 HB2 LYS 634 3.717 -0.349 -8.989 407 HB3 LYS 634 HB3 LYS 634 3.501 0.674 -7.579 408 HG2 LYS 634 HG2 LYS 634 5.519 1.933 -8.185 409 HG3 LYS 634 HG3 LYS 634 5.734 0.905 -9.603 410 HD2 LYS 634 HD2 LYS 634 3.493 1.678 -10.411 411 HD3 LYS 634 HD3 LYS 634 3.441 2.798 -9.052 412 HE2 LYS 634 HE2 LYS 634 5.457 2.790 -11.306 413 HE3 LYS 634 HE3 LYS 634 4.158 3.956 -11.065 414 HZ1 LYS 634 HZ1 LYS 634 5.226 4.648 -9.001 415 HZ2 LYS 634 HZ2 LYS 634 6.267 4.842 -10.319 416 HZ3 LYS 634 HZ3 LYS 634 6.480 3.542 -9.258 417 H VAL 635 H VAL 635 4.286 -0.182 -5.021 418 HA VAL 635 HA VAL 635 6.222 1.877 -4.499 419 HB VAL 635 HB VAL 635 5.145 2.190 -2.327 420 HG11 VAL 635 HG11 VAL 635 2.907 2.823 -3.116 421 HG12 VAL 635 HG12 VAL 635 3.207 1.932 -4.610 422 HG13 VAL 635 HG13 VAL 635 4.199 3.334 -4.204 423 HG21 VAL 635 HG21 VAL 635 3.511 -0.254 -3.021 424 HG22 VAL 635 HG22 VAL 635 3.060 0.913 -1.775 425 HG23 VAL 635 HG23 VAL 635 4.556 -0.004 -1.619 426 H GLU 636 H GLU 636 5.991 -1.493 -3.768 427 HA GLU 636 HA GLU 636 7.902 -1.466 -1.595 428 HB2 GLU 636 HB2 GLU 636 6.015 -3.076 -1.755 429 HB3 GLU 636 HB3 GLU 636 6.782 -3.793 -3.162 430 HG2 GLU 636 HG2 GLU 636 8.281 -3.616 -0.589 431 HG3 GLU 636 HG3 GLU 636 7.074 -4.865 -0.821 432 H GLY 637 H GLY 637 7.938 -2.114 -5.074 433 HA2 GLY 637 HA2 GLY 637 10.635 -3.184 -5.045 434 HA3 GLY 637 HA3 GLY 637 9.623 -2.939 -6.457 435 H ASP 638 H ASP 638 9.201 -0.073 -5.408 436 HA ASP 638 HA ASP 638 11.459 1.072 -6.834 437 HB2 ASP 638 HB2 ASP 638 8.825 2.146 -5.845 438 HB3 ASP 638 HB3 ASP 638 10.087 3.233 -6.407 439 H MET 639 H MET 639 10.527 0.537 -3.573 440 HA MET 639 HA MET 639 11.866 2.800 -2.419 441 HB2 MET 639 HB2 MET 639 10.637 0.342 -1.204 442 HB3 MET 639 HB3 MET 639 11.454 1.586 -0.248 443 HG2 MET 639 HG2 MET 639 9.921 3.244 -1.006 444 HG3 MET 639 HG3 MET 639 9.193 2.126 -2.137 445 HE1 MET 639 HE1 MET 639 7.699 3.801 -0.779 446 HE2 MET 639 HE2 MET 639 6.657 3.190 0.513 447 HE3 MET 639 HE3 MET 639 6.566 2.480 -1.102 448 H TYR 640 H TYR 640 12.829 -0.363 -3.397 449 HA TYR 640 HA TYR 640 15.070 -0.695 -1.646 450 HB2 TYR 640 HB2 TYR 640 15.109 -2.765 -2.529 451 HB3 TYR 640 HB3 TYR 640 13.660 -2.306 -3.423 452 HD1 TYR 640 HD1 TYR 640 17.393 -2.093 -3.712 453 HD2 TYR 640 HD2 TYR 640 13.668 -2.559 -5.723 454 HE1 TYR 640 HE1 TYR 640 18.586 -2.453 -5.831 455 HE2 TYR 640 HE2 TYR 640 14.854 -2.923 -7.850 456 HH TYR 640 HH TYR 640 18.198 -3.511 -8.003 457 H GLU 641 H GLU 641 14.537 0.939 -4.666 458 HA GLU 641 HA GLU 641 17.366 1.289 -5.244 459 HB2 GLU 641 HB2 GLU 641 14.882 2.314 -6.634 460 HB3 GLU 641 HB3 GLU 641 16.513 2.648 -7.172 461 HG2 GLU 641 HG2 GLU 641 15.724 -0.173 -6.815 462 HG3 GLU 641 HG3 GLU 641 15.087 0.696 -8.202 463 H SER 642 H SER 642 14.829 2.988 -3.614 464 HA SER 642 HA SER 642 16.219 5.558 -3.760 465 HB2 SER 642 HB2 SER 642 14.193 6.525 -2.839 466 HB3 SER 642 HB3 SER 642 13.766 5.459 -4.175 467 HG SER 642 HG SER 642 12.473 5.248 -2.206 468 H ALA 643 H ALA 643 15.388 3.044 -1.437 469 HA ALA 643 HA ALA 643 16.399 4.599 0.814 470 HB1 ALA 643 HB1 ALA 643 15.281 1.800 0.745 471 HB2 ALA 643 HB2 ALA 643 14.370 3.264 1.112 472 HB3 ALA 643 HB3 ALA 643 15.657 2.732 2.194 473 H ASN 644 H ASN 644 18.194 4.043 2.052 474 HA ASN 644 HA ASN 644 20.146 2.277 0.730 475 HB2 ASN 644 HB2 ASN 644 20.537 4.633 2.593 476 HB3 ASN 644 HB3 ASN 644 21.845 3.593 2.046 477 HD21 ASN 644 HD21 ASN 644 20.103 6.369 1.435 478 HD22 ASN 644 HD22 ASN 644 20.613 6.657 -0.191 479 H SER 645 H SER 645 18.205 2.608 3.525 480 HA SER 645 HA SER 645 19.666 0.444 4.885 481 HB2 SER 645 HB2 SER 645 19.364 1.510 7.034 482 HB3 SER 645 HB3 SER 645 20.119 2.681 5.954 483 HG SER 645 HG SER 645 18.514 3.870 6.677 484 H ARG 646 H ARG 646 18.319 -0.720 6.485 485 HA ARG 646 HA ARG 646 15.832 -1.489 5.308 486 HB2 ARG 646 HB2 ARG 646 15.762 -3.202 6.998 487 HB3 ARG 646 HB3 ARG 646 17.413 -3.068 6.412 488 HG2 ARG 646 HG2 ARG 646 17.956 -1.693 8.414 489 HG3 ARG 646 HG3 ARG 646 16.324 -1.993 9.012 490 HD2 ARG 646 HD2 ARG 646 16.778 -4.404 9.018 491 HD3 ARG 646 HD3 ARG 646 18.408 -4.097 8.423 492 HE ARG 646 HE ARG 646 19.041 -3.428 10.536 493 HH11 ARG 646 HH11 ARG 646 15.545 -3.811 10.491 494 HH12 ARG 646 HH12 ARG 646 15.398 -3.683 12.211 495 HH21 ARG 646 HH21 ARG 646 18.817 -3.267 12.786 496 HH22 ARG 646 HH22 ARG 646 17.246 -3.373 13.506 497 H ASP 647 H ASP 647 16.711 0.734 7.807 498 HA ASP 647 HA ASP 647 14.138 0.754 9.119 499 HB2 ASP 647 HB2 ASP 647 16.610 2.481 9.383 500 HB3 ASP 647 HB3 ASP 647 15.145 2.774 10.310 501 H GLU 648 H GLU 648 15.707 2.531 6.542 502 HA GLU 648 HA GLU 648 13.625 4.552 6.398 503 HB2 GLU 648 HB2 GLU 648 15.969 5.129 5.864 504 HB3 GLU 648 HB3 GLU 648 15.962 3.970 4.548 505 HG2 GLU 648 HG2 GLU 648 15.706 6.054 3.524 506 HG3 GLU 648 HG3 GLU 648 14.085 5.367 3.533 507 H TYR 649 H TYR 649 14.688 1.703 4.583 508 HA TYR 649 HA TYR 649 12.860 1.709 2.484 509 HB2 TYR 649 HB2 TYR 649 14.802 0.234 2.572 510 HB3 TYR 649 HB3 TYR 649 14.148 -0.598 3.968 511 HD1 TYR 649 HD1 TYR 649 13.365 0.074 0.372 512 HD2 TYR 649 HD2 TYR 649 13.005 -2.567 3.681 513 HE1 TYR 649 HE1 TYR 649 12.325 -1.651 -1.098 514 HE2 TYR 649 HE2 TYR 649 11.981 -4.254 2.243 515 HH TYR 649 HH TYR 649 10.748 -4.444 0.239 516 H TYR 650 H TYR 650 12.538 0.140 5.674 517 HA TYR 650 HA TYR 650 9.839 -0.657 5.282 518 HB2 TYR 650 HB2 TYR 650 11.541 -0.471 7.778 519 HB3 TYR 650 HB3 TYR 650 9.923 -1.157 7.743 520 HD1 TYR 650 HD1 TYR 650 10.490 -2.357 4.836 521 HD2 TYR 650 HD2 TYR 650 12.431 -2.620 8.616 522 HE1 TYR 650 HE1 TYR 650 11.384 -4.546 4.211 523 HE2 TYR 650 HE2 TYR 650 13.353 -4.813 7.989 524 HH TYR 650 HH TYR 650 12.836 -6.653 6.440 525 H HIS 651 H HIS 651 11.210 2.371 6.180 526 HA HIS 651 HA HIS 651 8.895 3.299 7.674 527 HB2 HIS 651 HB2 HIS 651 11.170 4.076 8.278 528 HB3 HIS 651 HB3 HIS 651 11.323 4.828 6.698 529 HD1 HIS 651 HD1 HIS 651 10.743 7.232 6.622 530 HD2 HIS 651 HD2 HIS 651 8.889 5.307 9.807 531 HE1 HIS 651 HE1 HIS 651 9.567 9.042 7.911 532 HE2 HIS 651 HE2 HIS 651 8.384 7.843 9.784 533 H LEU 652 H LEU 652 10.285 3.751 4.465 534 HA LEU 652 HA LEU 652 8.595 5.704 3.439 535 HB2 LEU 652 HB2 LEU 652 10.079 3.447 2.189 536 HB3 LEU 652 HB3 LEU 652 9.199 4.609 1.239 537 HG LEU 652 HG LEU 652 11.531 5.264 3.038 538 HD11 LEU 652 HD11 LEU 652 12.314 4.038 1.092 539 HD12 LEU 652 HD12 LEU 652 12.760 5.740 0.967 540 HD13 LEU 652 HD13 LEU 652 11.402 5.111 0.032 541 HD21 LEU 652 HD21 LEU 652 9.954 6.924 1.099 542 HD22 LEU 652 HD22 LEU 652 11.395 7.460 1.964 543 HD23 LEU 652 HD23 LEU 652 9.922 7.060 2.857 544 H LEU 653 H LEU 653 8.232 2.171 3.433 545 HA LEU 653 HA LEU 653 5.692 2.120 2.139 546 HB2 LEU 653 HB2 LEU 653 7.380 0.169 3.591 547 HB3 LEU 653 HB3 LEU 653 5.674 -0.194 3.497 548 HG LEU 653 HG LEU 653 6.712 0.502 0.880 549 HD11 LEU 653 HD11 LEU 653 8.144 -1.427 0.594 550 HD12 LEU 653 HD12 LEU 653 8.013 -1.788 2.318 551 HD13 LEU 653 HD13 LEU 653 8.808 -0.306 1.785 552 HD21 LEU 653 HD21 LEU 653 5.360 -1.141 0.188 553 HD22 LEU 653 HD22 LEU 653 4.681 -1.009 1.816 554 HD23 LEU 653 HD23 LEU 653 5.876 -2.257 1.460 555 H ALA 654 H ALA 654 6.663 2.406 5.510 556 HA ALA 654 HA ALA 654 4.066 1.852 6.618 557 HB1 ALA 654 HB1 ALA 654 6.442 3.163 7.933 558 HB2 ALA 654 HB2 ALA 654 6.148 1.424 7.854 559 HB3 ALA 654 HB3 ALA 654 5.034 2.468 8.738 560 H GLU 655 H GLU 655 5.771 4.752 5.589 561 HA GLU 655 HA GLU 655 3.934 6.549 6.867 562 HB2 GLU 655 HB2 GLU 655 6.248 7.246 6.481 563 HB3 GLU 655 HB3 GLU 655 6.014 7.120 4.746 564 HG2 GLU 655 HG2 GLU 655 4.433 8.953 4.800 565 HG3 GLU 655 HG3 GLU 655 4.571 9.054 6.553 566 H LYS 656 H LYS 656 4.054 5.013 3.711 567 HA LYS 656 HA LYS 656 1.887 6.518 2.585 568 HB2 LYS 656 HB2 LYS 656 3.369 5.068 1.195 569 HB3 LYS 656 HB3 LYS 656 2.687 3.662 1.971 570 HG2 LYS 656 HG2 LYS 656 1.677 3.859 -0.168 571 HG3 LYS 656 HG3 LYS 656 0.459 4.297 1.036 572 HD2 LYS 656 HD2 LYS 656 0.803 6.652 0.573 573 HD3 LYS 656 HD3 LYS 656 2.124 6.275 -0.535 574 HE2 LYS 656 HE2 LYS 656 0.572 5.112 -2.010 575 HE3 LYS 656 HE3 LYS 656 -0.751 5.429 -0.889 576 HZ1 LYS 656 HZ1 LYS 656 0.818 7.496 -2.334 577 HZ2 LYS 656 HZ2 LYS 656 -0.453 7.798 -1.260 578 HZ3 LYS 656 HZ3 LYS 656 -0.753 6.998 -2.721 579 H ILE 657 H ILE 657 2.238 3.866 4.759 580 HA ILE 657 HA ILE 657 -0.367 2.761 4.583 581 HB ILE 657 HB ILE 657 2.023 2.406 6.323 582 HG12 ILE 657 HG12 ILE 657 0.193 0.469 4.880 583 HG13 ILE 657 HG13 ILE 657 1.663 1.160 4.217 584 HG21 ILE 657 HG21 ILE 657 1.012 1.026 7.967 585 HG22 ILE 657 HG22 ILE 657 -0.568 1.134 7.190 586 HG23 ILE 657 HG23 ILE 657 0.128 2.558 7.968 587 HD11 ILE 657 HD11 ILE 657 1.949 -1.167 4.958 588 HD12 ILE 657 HD12 ILE 657 1.532 -0.684 6.603 589 HD13 ILE 657 HD13 ILE 657 2.996 -0.058 5.845 590 H TYR 658 H TYR 658 1.059 5.289 6.582 591 HA TYR 658 HA TYR 658 -1.240 5.540 8.321 592 HB2 TYR 658 HB2 TYR 658 1.220 7.268 7.970 593 HB3 TYR 658 HB3 TYR 658 0.017 7.497 9.223 594 HD1 TYR 658 HD1 TYR 658 -0.147 4.217 9.317 595 HD2 TYR 658 HD2 TYR 658 2.858 7.178 9.896 596 HE1 TYR 658 HE1 TYR 658 1.084 2.675 10.783 597 HE2 TYR 658 HE2 TYR 658 4.097 5.641 11.360 598 HH TYR 658 HH TYR 658 3.378 2.330 11.582 599 H LYS 659 H LYS 659 -0.053 7.060 5.393 600 HA LYS 659 HA LYS 659 -1.903 9.261 5.420 601 HB2 LYS 659 HB2 LYS 659 -0.211 8.131 3.204 602 HB3 LYS 659 HB3 LYS 659 -1.224 9.545 3.016 603 HG2 LYS 659 HG2 LYS 659 0.091 10.689 4.751 604 HG3 LYS 659 HG3 LYS 659 1.123 9.275 4.895 605 HD2 LYS 659 HD2 LYS 659 1.867 9.588 2.566 606 HD3 LYS 659 HD3 LYS 659 0.807 10.985 2.415 607 HE2 LYS 659 HE2 LYS 659 2.098 12.128 4.164 608 HE3 LYS 659 HE3 LYS 659 3.145 10.722 4.284 609 HZ1 LYS 659 HZ1 LYS 659 3.843 11.070 2.005 610 HZ2 LYS 659 HZ2 LYS 659 4.125 12.468 2.917 611 HZ3 LYS 659 HZ3 LYS 659 2.806 12.400 1.859 612 H ILE 660 H ILE 660 -2.022 5.973 4.432 613 HA ILE 660 HA ILE 660 -4.436 6.245 2.854 614 HB ILE 660 HB ILE 660 -2.812 3.874 3.820 615 HG12 ILE 660 HG12 ILE 660 -3.543 4.779 1.019 616 HG13 ILE 660 HG13 ILE 660 -2.060 5.238 1.841 617 HG21 ILE 660 HG21 ILE 660 -5.411 3.717 2.282 618 HG22 ILE 660 HG22 ILE 660 -5.173 3.226 3.958 619 HG23 ILE 660 HG23 ILE 660 -4.345 2.364 2.663 620 HD11 ILE 660 HD11 ILE 660 -1.854 3.374 0.181 621 HD12 ILE 660 HD12 ILE 660 -2.810 2.379 1.281 622 HD13 ILE 660 HD13 ILE 660 -1.243 3.009 1.795 623 H GLN 661 H GLN 661 -3.470 5.822 6.122 624 HA GLN 661 HA GLN 661 -5.868 4.838 7.206 625 HB2 GLN 661 HB2 GLN 661 -3.401 6.047 8.304 626 HB3 GLN 661 HB3 GLN 661 -4.793 5.866 9.339 627 HG2 GLN 661 HG2 GLN 661 -4.852 3.528 8.962 628 HG3 GLN 661 HG3 GLN 661 -3.560 3.626 7.777 629 HE21 GLN 661 HE21 GLN 661 -3.137 1.828 9.500 630 HE22 GLN 661 HE22 GLN 661 -2.043 2.300 10.766 631 H LYS 662 H LYS 662 -4.543 8.050 6.714 632 HA LYS 662 HA LYS 662 -6.408 9.601 8.151 633 HB2 LYS 662 HB2 LYS 662 -4.229 10.448 7.384 634 HB3 LYS 662 HB3 LYS 662 -4.796 10.371 5.731 635 HG2 LYS 662 HG2 LYS 662 -6.438 12.107 6.190 636 HG3 LYS 662 HG3 LYS 662 -5.946 12.157 7.866 637 HD2 LYS 662 HD2 LYS 662 -4.941 14.015 6.792 638 HD3 LYS 662 HD3 LYS 662 -3.655 12.841 7.047 639 HE2 LYS 662 HE2 LYS 662 -3.443 13.766 4.877 640 HE3 LYS 662 HE3 LYS 662 -3.934 12.095 4.726 641 HZ1 LYS 662 HZ1 LYS 662 -5.728 14.449 4.473 642 HZ2 LYS 662 HZ2 LYS 662 -6.207 12.833 4.344 643 HZ3 LYS 662 HZ3 LYS 662 -5.162 13.499 3.192 644 H GLU 663 H GLU 663 -6.417 8.493 4.784 645 HA GLU 663 HA GLU 663 -8.559 10.130 3.927 646 HB2 GLU 663 HB2 GLU 663 -7.428 7.632 2.674 647 HB3 GLU 663 HB3 GLU 663 -8.481 8.780 1.897 648 HG2 GLU 663 HG2 GLU 663 -6.843 10.292 1.544 649 HG3 GLU 663 HG3 GLU 663 -5.954 9.817 2.986 650 H LEU 664 H LEU 664 -8.418 6.728 4.916 651 HA LEU 664 HA LEU 664 -11.153 6.130 4.651 652 HB2 LEU 664 HB2 LEU 664 -9.100 4.983 6.542 653 HB3 LEU 664 HB3 LEU 664 -10.720 4.351 6.387 654 HG LEU 664 HG LEU 664 -8.673 4.388 4.159 655 HD11 LEU 664 HD11 LEU 664 -8.090 2.884 6.079 656 HD12 LEU 664 HD12 LEU 664 -8.284 2.085 4.520 657 HD13 LEU 664 HD13 LEU 664 -9.566 1.985 5.725 658 HD21 LEU 664 HD21 LEU 664 -10.137 3.072 2.884 659 HD22 LEU 664 HD22 LEU 664 -11.118 4.399 3.515 660 HD23 LEU 664 HD23 LEU 664 -11.206 2.799 4.257 661 H GLU 665 H GLU 665 -9.615 8.164 6.952 662 HA GLU 665 HA GLU 665 -11.404 7.728 9.147 663 HB2 GLU 665 HB2 GLU 665 -9.182 9.612 8.573 664 HB3 GLU 665 HB3 GLU 665 -10.352 10.076 9.802 665 HG2 GLU 665 HG2 GLU 665 -9.167 7.354 9.930 666 HG3 GLU 665 HG3 GLU 665 -8.181 8.733 10.414 667 H GLU 666 H GLU 666 -11.713 9.584 6.263 668 HA GLU 666 HA GLU 666 -13.437 11.618 7.290 669 HB2 GLU 666 HB2 GLU 666 -12.935 10.653 4.473 670 HB3 GLU 666 HB3 GLU 666 -14.059 11.948 4.839 671 HG2 GLU 666 HG2 GLU 666 -12.190 13.230 5.842 672 HG3 GLU 666 HG3 GLU 666 -11.088 11.946 5.347 673 H LYS 667 H LYS 667 -13.964 8.348 6.233 674 HA LYS 667 HA LYS 667 -16.842 8.597 6.146 675 HB2 LYS 667 HB2 LYS 667 -15.259 6.051 6.086 676 HB3 LYS 667 HB3 LYS 667 -16.908 6.291 5.545 677 HG2 LYS 667 HG2 LYS 667 -14.411 7.379 4.268 678 HG3 LYS 667 HG3 LYS 667 -15.443 6.087 3.675 679 HD2 LYS 667 HD2 LYS 667 -17.276 7.699 3.383 680 HD3 LYS 667 HD3 LYS 667 -16.243 8.988 3.984 681 HE2 LYS 667 HE2 LYS 667 -14.740 8.646 2.069 682 HE3 LYS 667 HE3 LYS 667 -15.804 7.368 1.486 683 HZ1 LYS 667 HZ1 LYS 667 -17.574 8.982 1.244 684 HZ2 LYS 667 HZ2 LYS 667 -16.219 9.459 0.350 685 HZ3 LYS 667 HZ3 LYS 667 -16.568 10.215 1.821 686 H ARG 668 H ARG 668 -14.473 8.055 8.507 687 HA ARG 668 HA ARG 668 -16.071 6.527 10.357 688 HB2 ARG 668 HB2 ARG 668 -13.395 7.906 10.568 689 HB3 ARG 668 HB3 ARG 668 -14.140 7.082 11.926 690 HG2 ARG 668 HG2 ARG 668 -14.132 4.999 10.666 691 HG3 ARG 668 HG3 ARG 668 -13.371 5.821 9.305 692 HD2 ARG 668 HD2 ARG 668 -11.453 6.380 10.723 693 HD3 ARG 668 HD3 ARG 668 -12.218 5.549 12.078 694 HE ARG 668 HE ARG 668 -12.096 3.664 10.104 695 HH11 ARG 668 HH11 ARG 668 -9.681 5.662 11.695 696 HH12 ARG 668 HH12 ARG 668 -8.413 4.503 11.474 697 HH21 ARG 668 HH21 ARG 668 -10.419 2.166 9.828 698 HH22 ARG 668 HH22 ARG 668 -8.832 2.527 10.418 699 H ARG 669 H ARG 669 -15.599 9.876 9.634 700 HA ARG 669 HA ARG 669 -16.650 10.802 12.193 701 HB2 ARG 669 HB2 ARG 669 -15.691 12.308 9.750 702 HB3 ARG 669 HB3 ARG 669 -16.312 13.081 11.200 703 HG2 ARG 669 HG2 ARG 669 -14.486 12.228 12.503 704 HG3 ARG 669 HG3 ARG 669 -13.918 11.261 11.139 705 HD2 ARG 669 HD2 ARG 669 -13.533 13.301 9.861 706 HD3 ARG 669 HD3 ARG 669 -14.058 14.268 11.239 707 HE ARG 669 HE ARG 669 -12.015 12.639 12.153 708 HH11 ARG 669 HH11 ARG 669 -12.327 15.212 9.778 709 HH12 ARG 669 HH12 ARG 669 -10.679 15.718 9.945 710 HH21 ARG 669 HH21 ARG 669 -9.865 13.321 12.351 711 HH22 ARG 669 HH22 ARG 669 -9.289 14.649 11.400 712 H SER 670 H SER 670 -17.889 9.834 9.207 713 HA SER 670 HA SER 670 -20.197 11.619 9.280 714 HB2 SER 670 HB2 SER 670 -20.767 10.677 7.094 715 HB3 SER 670 HB3 SER 670 -19.102 11.253 7.123 716 HG SER 670 HG SER 670 -19.537 8.585 7.790 717 H ARG 671 H ARG 671 -19.358 8.311 9.993 718 HA ARG 671 HA ARG 671 -22.166 7.540 10.249 719 HB2 ARG 671 HB2 ARG 671 -19.639 5.916 10.308 720 HB3 ARG 671 HB3 ARG 671 -21.238 5.247 10.597 721 HG2 ARG 671 HG2 ARG 671 -21.924 5.873 8.353 722 HG3 ARG 671 HG3 ARG 671 -20.359 6.629 8.070 723 HD2 ARG 671 HD2 ARG 671 -19.264 4.527 8.391 724 HD3 ARG 671 HD3 ARG 671 -20.804 3.723 8.688 725 HE ARG 671 HE ARG 671 -21.078 4.899 6.225 726 HH11 ARG 671 HH11 ARG 671 -18.841 2.549 7.576 727 HH12 ARG 671 HH12 ARG 671 -18.562 1.768 6.054 728 HH21 ARG 671 HH21 ARG 671 -20.698 3.860 4.246 729 HH22 ARG 671 HH22 ARG 671 -19.614 2.510 4.173 730 H LEU 672 H LEU 672 -19.638 8.677 12.133 731 HA LEU 672 HA LEU 672 -20.844 7.655 14.617 732 HB2 LEU 672 HB2 LEU 672 -18.026 8.670 14.170 733 HB3 LEU 672 HB3 LEU 672 -18.676 8.191 15.718 734 HG LEU 672 HG LEU 672 -18.197 6.352 13.363 735 HD11 LEU 672 HD11 LEU 672 -16.131 7.158 14.458 736 HD12 LEU 672 HD12 LEU 672 -16.371 5.417 14.580 737 HD13 LEU 672 HD13 LEU 672 -16.699 6.449 15.971 738 HD21 LEU 672 HD21 LEU 672 -18.707 4.512 14.861 739 HD22 LEU 672 HD22 LEU 672 -20.090 5.598 14.710 740 HD23 LEU 672 HD23 LEU 672 -19.081 5.649 16.155 741 H1 GLY 519 H1 GLY 519 -16.799 28.532 -10.492 742 H2 GLY 519 H2 GLY 519 -16.989 29.169 -8.937 743 H3 GLY 519 H3 GLY 519 -16.299 27.638 -9.146 744 HA2 GLY 519 HA2 GLY 519 -14.401 28.613 -10.282 745 HA3 GLY 519 HA3 GLY 519 -15.118 30.203 -10.066 746 H SER 520 H SER 520 -13.334 27.638 -8.610 747 HA SER 520 HA SER 520 -13.061 29.210 -6.131 748 HB2 SER 520 HB2 SER 520 -14.141 27.145 -5.569 749 HB3 SER 520 HB3 SER 520 -12.991 26.212 -6.527 750 HG SER 520 HG SER 520 -11.612 26.276 -4.932 751 HA PRO 521 HA PRO 521 -8.783 29.554 -7.835 752 HB2 PRO 521 HB2 PRO 521 -8.588 31.291 -5.417 753 HB3 PRO 521 HB3 PRO 521 -8.053 31.610 -7.063 754 HG2 PRO 521 HG2 PRO 521 -10.184 32.755 -6.248 755 HG3 PRO 521 HG3 PRO 521 -10.208 32.076 -7.734 756 HD2 PRO 521 HD2 PRO 521 -11.319 30.927 -5.287 757 HD3 PRO 521 HD3 PRO 521 -12.064 31.023 -6.737 758 H GLY 522 H GLY 522 -6.895 28.563 -7.269 759 HA2 GLY 522 HA2 GLY 522 -6.291 27.824 -4.544 760 HA3 GLY 522 HA3 GLY 522 -6.748 26.463 -5.554 761 H TYR 523 H TYR 523 -4.286 26.532 -4.372 762 HA TYR 523 HA TYR 523 -2.432 27.193 -6.564 763 HB2 TYR 523 HB2 TYR 523 -1.898 26.941 -3.597 764 HB3 TYR 523 HB3 TYR 523 -0.645 27.167 -4.810 765 HD1 TYR 523 HD1 TYR 523 -3.432 28.767 -3.026 766 HD2 TYR 523 HD2 TYR 523 -0.308 29.326 -5.863 767 HE1 TYR 523 HE1 TYR 523 -3.720 31.203 -2.855 768 HE2 TYR 523 HE2 TYR 523 -0.588 31.763 -5.697 769 HH TYR 523 HH TYR 523 -2.334 33.375 -5.054 770 HA PRO 524 HA PRO 524 -2.140 22.603 -6.756 771 HB2 PRO 524 HB2 PRO 524 -0.578 23.241 -9.196 772 HB3 PRO 524 HB3 PRO 524 -1.935 22.128 -8.993 773 HG2 PRO 524 HG2 PRO 524 -2.361 24.369 -10.220 774 HG3 PRO 524 HG3 PRO 524 -3.461 23.883 -9.116 775 HD2 PRO 524 HD2 PRO 524 -1.274 25.843 -8.606 776 HD3 PRO 524 HD3 PRO 524 -2.851 26.082 -8.257 777 H ASN 525 H ASN 525 -0.698 21.726 -5.427 778 HA ASN 525 HA ASN 525 2.167 22.224 -5.885 779 HB2 ASN 525 HB2 ASN 525 0.793 22.049 -3.185 780 HB3 ASN 525 HB3 ASN 525 2.533 22.124 -3.423 781 HD21 ASN 525 HD21 ASN 525 -0.034 23.884 -2.552 782 HD22 ASN 525 HD22 ASN 525 0.490 25.464 -3.011 783 H GLY 526 H GLY 526 -0.308 20.080 -4.533 784 HA2 GLY 526 HA2 GLY 526 0.880 17.743 -5.645 785 HA3 GLY 526 HA3 GLY 526 1.188 17.835 -3.917 786 H LEU 527 H LEU 527 -1.423 17.978 -6.306 787 HA LEU 527 HA LEU 527 -3.293 16.979 -4.287 788 HB2 LEU 527 HB2 LEU 527 -3.826 18.563 -6.795 789 HB3 LEU 527 HB3 LEU 527 -5.069 17.940 -5.750 790 HG LEU 527 HG LEU 527 -3.068 20.067 -4.981 791 HD11 LEU 527 HD11 LEU 527 -5.980 20.373 -5.677 792 HD12 LEU 527 HD12 LEU 527 -4.610 20.943 -6.627 793 HD13 LEU 527 HD13 LEU 527 -4.931 21.640 -5.039 794 HD21 LEU 527 HD21 LEU 527 -4.348 20.371 -2.980 795 HD22 LEU 527 HD22 LEU 527 -3.845 18.684 -3.106 796 HD23 LEU 527 HD23 LEU 527 -5.503 19.141 -3.487 797 H LEU 528 H LEU 528 -2.590 16.819 -7.675 798 HA LEU 528 HA LEU 528 -4.010 14.286 -7.955 799 HB2 LEU 528 HB2 LEU 528 -2.843 16.156 -10.024 800 HB3 LEU 528 HB3 LEU 528 -3.664 14.660 -10.409 801 HG LEU 528 HG LEU 528 -4.957 17.019 -9.025 802 HD11 LEU 528 HD11 LEU 528 -6.127 17.395 -11.140 803 HD12 LEU 528 HD12 LEU 528 -5.179 16.114 -11.895 804 HD13 LEU 528 HD13 LEU 528 -4.385 17.582 -11.329 805 HD21 LEU 528 HD21 LEU 528 -7.046 15.822 -9.512 806 HD22 LEU 528 HD22 LEU 528 -5.991 14.910 -8.435 807 HD23 LEU 528 HD23 LEU 528 -6.110 14.467 -10.138 808 H SER 529 H SER 529 -0.930 15.344 -7.353 809 HA SER 529 HA SER 529 0.252 12.809 -8.261 810 HB2 SER 529 HB2 SER 529 2.282 13.940 -8.986 811 HB3 SER 529 HB3 SER 529 0.896 14.618 -9.837 812 HG SER 529 HG SER 529 2.579 16.067 -8.768 813 H GLY 530 H GLY 530 -0.730 13.823 -5.620 814 HA2 GLY 530 HA2 GLY 530 1.805 13.714 -4.108 815 HA3 GLY 530 HA3 GLY 530 0.362 14.547 -3.550 816 H ASP 531 H ASP 531 -1.237 13.432 -2.536 817 HA ASP 531 HA ASP 531 -0.969 10.531 -2.224 818 HB2 ASP 531 HB2 ASP 531 -1.057 12.536 0.036 819 HB3 ASP 531 HB3 ASP 531 -1.420 10.831 0.260 820 H GLU 532 H GLU 532 -2.890 13.044 -3.009 821 HA GLU 532 HA GLU 532 -5.332 12.052 -1.799 822 HB2 GLU 532 HB2 GLU 532 -4.710 14.553 -3.339 823 HB3 GLU 532 HB3 GLU 532 -6.300 14.142 -2.758 824 HG2 GLU 532 HG2 GLU 532 -5.467 14.184 -0.467 825 HG3 GLU 532 HG3 GLU 532 -3.862 14.592 -1.061 826 H ASP 533 H ASP 533 -3.626 11.493 -4.481 827 HA ASP 533 HA ASP 533 -5.677 11.424 -6.491 828 HB2 ASP 533 HB2 ASP 533 -3.271 11.801 -7.017 829 HB3 ASP 533 HB3 ASP 533 -2.926 10.150 -6.519 830 H PHE 534 H PHE 534 -4.169 9.045 -4.330 831 HA PHE 534 HA PHE 534 -5.791 6.899 -5.393 832 HB2 PHE 534 HB2 PHE 534 -3.663 6.997 -3.257 833 HB3 PHE 534 HB3 PHE 534 -4.549 5.538 -3.662 834 HD1 PHE 534 HD1 PHE 534 -1.884 7.703 -4.456 835 HD2 PHE 534 HD2 PHE 534 -4.263 4.556 -6.000 836 HE1 PHE 534 HE1 PHE 534 -0.162 7.261 -6.179 837 HE2 PHE 534 HE2 PHE 534 -2.563 4.092 -7.717 838 HZ PHE 534 HZ PHE 534 -0.508 5.448 -7.809 839 H SER 535 H SER 535 -6.093 9.328 -3.110 840 HA SER 535 HA SER 535 -7.700 8.049 -1.137 841 HB2 SER 535 HB2 SER 535 -8.098 10.225 -0.269 842 HB3 SER 535 HB3 SER 535 -6.461 10.271 -0.920 843 HG SER 535 HG SER 535 -7.219 11.379 -2.699 844 H SER 536 H SER 536 -8.331 9.141 -4.323 845 HA SER 536 HA SER 536 -11.219 9.269 -4.004 846 HB2 SER 536 HB2 SER 536 -11.248 9.890 -6.367 847 HB3 SER 536 HB3 SER 536 -10.041 10.848 -5.510 848 HG SER 536 HG SER 536 -9.425 9.842 -7.604 849 H ILE 537 H ILE 537 -8.770 7.073 -5.087 850 HA ILE 537 HA ILE 537 -10.627 5.286 -6.417 851 HB ILE 537 HB ILE 537 -7.650 5.017 -5.924 852 HG12 ILE 537 HG12 ILE 537 -9.039 5.625 -8.550 853 HG13 ILE 537 HG13 ILE 537 -8.374 6.864 -7.500 854 HG21 ILE 537 HG21 ILE 537 -9.394 3.270 -7.660 855 HG22 ILE 537 HG22 ILE 537 -8.617 2.802 -6.148 856 HG23 ILE 537 HG23 ILE 537 -7.634 3.193 -7.559 857 HD11 ILE 537 HD11 ILE 537 -6.871 6.415 -9.337 858 HD12 ILE 537 HD12 ILE 537 -6.821 4.701 -8.923 859 HD13 ILE 537 HD13 ILE 537 -6.127 5.894 -7.826 860 H ALA 538 H ALA 538 -9.049 5.531 -3.305 861 HA ALA 538 HA ALA 538 -9.494 2.772 -2.650 862 HB1 ALA 538 HB1 ALA 538 -8.550 4.992 -0.854 863 HB2 ALA 538 HB2 ALA 538 -7.507 3.952 -1.823 864 HB3 ALA 538 HB3 ALA 538 -8.465 3.265 -0.511 865 H ASP 539 H ASP 539 -11.371 5.496 -2.548 866 HA ASP 539 HA ASP 539 -13.163 4.420 -0.489 867 HB2 ASP 539 HB2 ASP 539 -13.020 7.134 -1.821 868 HB3 ASP 539 HB3 ASP 539 -14.365 6.655 -0.791 869 H MET 540 H MET 540 -12.672 4.505 -3.800 870 HA MET 540 HA MET 540 -15.438 3.921 -4.525 871 HB2 MET 540 HB2 MET 540 -12.887 4.286 -6.077 872 HB3 MET 540 HB3 MET 540 -14.330 3.626 -6.832 873 HG2 MET 540 HG2 MET 540 -14.263 6.289 -5.432 874 HG3 MET 540 HG3 MET 540 -13.946 6.090 -7.153 875 HE1 MET 540 HE1 MET 540 -15.819 5.638 -8.977 876 HE2 MET 540 HE2 MET 540 -17.402 4.978 -8.570 877 HE3 MET 540 HE3 MET 540 -15.946 4.037 -8.249 878 H ASP 541 H ASP 541 -12.397 2.358 -3.929 879 HA ASP 541 HA ASP 541 -13.252 -0.195 -5.028 880 HB2 ASP 541 HB2 ASP 541 -10.670 0.937 -4.045 881 HB3 ASP 541 HB3 ASP 541 -10.877 -0.807 -4.064 882 H PHE 542 H PHE 542 -13.188 1.413 -1.961 883 HA PHE 542 HA PHE 542 -13.031 -0.938 -0.315 884 HB2 PHE 542 HB2 PHE 542 -12.374 1.337 0.459 885 HB3 PHE 542 HB3 PHE 542 -14.062 1.820 0.392 886 HD1 PHE 542 HD1 PHE 542 -11.577 -0.195 2.199 887 HD2 PHE 542 HD2 PHE 542 -15.619 1.139 2.082 888 HE1 PHE 542 HE1 PHE 542 -11.899 -0.974 4.512 889 HE2 PHE 542 HE2 PHE 542 -15.947 0.366 4.392 890 HZ PHE 542 HZ PHE 542 -14.085 -0.692 5.612 891 H SER 543 H SER 543 -15.598 0.813 -1.897 892 HA SER 543 HA SER 543 -17.754 -0.461 -0.455 893 HB2 SER 543 HB2 SER 543 -19.220 0.764 -1.940 894 HB3 SER 543 HB3 SER 543 -17.925 1.836 -1.416 895 HG SER 543 HG SER 543 -17.085 0.655 -3.611 896 H ALA 544 H ALA 544 -15.879 -1.107 -3.310 897 HA ALA 544 HA ALA 544 -17.696 -3.038 -4.446 898 HB1 ALA 544 HB1 ALA 544 -15.898 -3.491 -6.032 899 HB2 ALA 544 HB2 ALA 544 -14.790 -2.511 -5.072 900 HB3 ALA 544 HB3 ALA 544 -16.172 -1.757 -5.869 901 H LEU 545 H LEU 545 -14.977 -3.073 -2.247 902 HA LEU 545 HA LEU 545 -14.782 -5.949 -2.115 903 HB2 LEU 545 HB2 LEU 545 -13.575 -3.750 -0.452 904 HB3 LEU 545 HB3 LEU 545 -13.214 -5.443 -0.256 905 HG LEU 545 HG LEU 545 -12.628 -3.851 -2.743 906 HD11 LEU 545 HD11 LEU 545 -10.269 -4.143 -2.070 907 HD12 LEU 545 HD12 LEU 545 -10.821 -4.793 -0.527 908 HD13 LEU 545 HD13 LEU 545 -11.186 -3.121 -0.964 909 HD21 LEU 545 HD21 LEU 545 -11.885 -6.674 -1.977 910 HD22 LEU 545 HD22 LEU 545 -11.302 -5.815 -3.403 911 HD23 LEU 545 HD23 LEU 545 -13.017 -6.201 -3.245 912 H LEU 546 H LEU 546 -16.582 -3.440 -0.602 913 HA LEU 546 HA LEU 546 -17.297 -4.845 1.794 914 HB2 LEU 546 HB2 LEU 546 -17.988 -2.274 0.482 915 HB3 LEU 546 HB3 LEU 546 -19.191 -2.931 1.557 916 HG LEU 546 HG LEU 546 -16.390 -2.114 2.274 917 HD11 LEU 546 HD11 LEU 546 -17.914 -0.251 2.068 918 HD12 LEU 546 HD12 LEU 546 -17.547 -0.534 3.769 919 HD13 LEU 546 HD13 LEU 546 -19.088 -1.067 3.098 920 HD21 LEU 546 HD21 LEU 546 -16.972 -2.740 4.576 921 HD22 LEU 546 HD22 LEU 546 -16.945 -4.131 3.492 922 HD23 LEU 546 HD23 LEU 546 -18.485 -3.430 3.991 923 H SER 547 H SER 547 -18.550 -4.568 -1.432 924 HA SER 547 HA SER 547 -21.065 -5.860 -0.955 925 HB2 SER 547 HB2 SER 547 -21.280 -5.890 -3.390 926 HB3 SER 547 HB3 SER 547 -20.723 -4.308 -2.847 927 HG SER 547 HG SER 547 -19.411 -4.842 -4.518 928 H GLN 548 H GLN 548 -17.866 -6.987 -1.232 929 HA GLN 548 HA GLN 548 -18.317 -9.454 -2.571 930 HB2 GLN 548 HB2 GLN 548 -16.022 -8.542 -0.851 931 HB3 GLN 548 HB3 GLN 548 -16.037 -10.049 -1.752 932 HG2 GLN 548 HG2 GLN 548 -16.094 -7.254 -2.876 933 HG3 GLN 548 HG3 GLN 548 -14.785 -8.420 -2.966 934 HE21 GLN 548 HE21 GLN 548 -16.827 -6.972 -4.869 935 HE22 GLN 548 HE22 GLN 548 -17.223 -8.225 -5.991 936 H ILE 549 H ILE 549 -18.996 -8.486 0.578 937 HA ILE 549 HA ILE 549 -18.910 -11.236 1.612 938 HB ILE 549 HB ILE 549 -19.113 -10.303 3.878 939 HG12 ILE 549 HG12 ILE 549 -18.712 -7.559 2.646 940 HG13 ILE 549 HG13 ILE 549 -20.285 -8.159 3.150 941 HG21 ILE 549 HG21 ILE 549 -16.925 -10.804 3.024 942 HG22 ILE 549 HG22 ILE 549 -16.830 -9.321 3.974 943 HG23 ILE 549 HG23 ILE 549 -16.833 -9.240 2.213 944 HD11 ILE 549 HD11 ILE 549 -17.901 -7.729 4.943 945 HD12 ILE 549 HD12 ILE 549 -19.480 -8.330 5.453 946 HD13 ILE 549 HD13 ILE 549 -19.322 -6.689 4.826 947 H SER 550 H SER 550 -21.085 -8.626 0.856 948 HA SER 550 HA SER 550 -23.343 -9.983 2.130 949 HB2 SER 550 HB2 SER 550 -24.610 -7.946 1.678 950 HB3 SER 550 HB3 SER 550 -23.090 -7.544 2.473 951 HG SER 550 HG SER 550 -22.570 -7.487 -0.082 952 H SER 551 H SER 551 -22.133 -9.099 -1.058 953 HA SER 551 HA SER 551 -24.372 -10.557 -2.296 954 HB2 SER 551 HB2 SER 551 -24.068 -9.239 -4.284 955 HB3 SER 551 HB3 SER 551 -24.106 -8.125 -2.918 956 HG SER 551 HG SER 551 -22.358 -7.481 -4.010 Start of MODEL 11 1 H1 GLY 586 H1 GLY 586 29.753 0.646 -8.487 2 H2 GLY 586 H2 GLY 586 30.722 -0.567 -7.814 3 H3 GLY 586 H3 GLY 586 30.352 0.816 -6.913 4 HA2 GLY 586 HA2 GLY 586 28.012 0.212 -6.881 5 HA3 GLY 586 HA3 GLY 586 28.393 -1.225 -7.818 6 H VAL 587 H VAL 587 28.431 0.268 -4.703 7 HA VAL 587 HA VAL 587 29.777 -1.973 -3.448 8 HB VAL 587 HB VAL 587 28.718 0.558 -2.200 9 HG11 VAL 587 HG11 VAL 587 30.430 -1.603 -1.028 10 HG12 VAL 587 HG12 VAL 587 28.792 -1.168 -0.554 11 HG13 VAL 587 HG13 VAL 587 30.120 -0.045 -0.265 12 HG21 VAL 587 HG21 VAL 587 30.539 1.055 -3.722 13 HG22 VAL 587 HG22 VAL 587 31.545 -0.177 -2.960 14 HG23 VAL 587 HG23 VAL 587 31.073 1.259 -2.052 15 H ARG 588 H ARG 588 28.859 -3.499 -2.196 16 HA ARG 588 HA ARG 588 25.964 -3.795 -2.356 17 HB2 ARG 588 HB2 ARG 588 27.484 -5.651 -3.072 18 HB3 ARG 588 HB3 ARG 588 28.025 -5.799 -1.410 19 HG2 ARG 588 HG2 ARG 588 25.825 -6.488 -0.699 20 HG3 ARG 588 HG3 ARG 588 25.170 -6.191 -2.305 21 HD2 ARG 588 HD2 ARG 588 25.455 -8.518 -2.200 22 HD3 ARG 588 HD3 ARG 588 26.839 -7.948 -3.125 23 HE ARG 588 HE ARG 588 27.410 -8.180 -0.330 24 HH11 ARG 588 HH11 ARG 588 27.198 -10.039 -3.304 25 HH12 ARG 588 HH12 ARG 588 28.290 -11.264 -2.751 26 HH21 ARG 588 HH21 ARG 588 28.839 -9.797 0.371 27 HH22 ARG 588 HH22 ARG 588 29.219 -11.125 -0.676 28 H LYS 589 H LYS 589 24.634 -4.136 -0.600 29 HA LYS 589 HA LYS 589 25.772 -3.473 2.039 30 HB2 LYS 589 HB2 LYS 589 23.053 -2.778 0.902 31 HB3 LYS 589 HB3 LYS 589 23.494 -2.545 2.584 32 HG2 LYS 589 HG2 LYS 589 25.263 -0.974 1.864 33 HG3 LYS 589 HG3 LYS 589 24.728 -1.170 0.198 34 HD2 LYS 589 HD2 LYS 589 22.588 -0.190 0.703 35 HD3 LYS 589 HD3 LYS 589 22.961 -0.170 2.432 36 HE2 LYS 589 HE2 LYS 589 23.322 2.032 1.677 37 HE3 LYS 589 HE3 LYS 589 24.921 1.322 1.867 38 HZ1 LYS 589 HZ1 LYS 589 23.446 1.621 -0.694 39 HZ2 LYS 589 HZ2 LYS 589 24.972 0.911 -0.522 40 HZ3 LYS 589 HZ3 LYS 589 24.764 2.556 -0.193 41 H GLY 590 H GLY 590 24.170 -4.190 3.852 42 HA2 GLY 590 HA2 GLY 590 24.163 -7.061 3.717 43 HA3 GLY 590 HA3 GLY 590 23.774 -6.080 5.116 44 H TRP 591 H TRP 591 21.725 -4.699 3.176 45 HA TRP 591 HA TRP 591 19.459 -6.038 4.192 46 HB2 TRP 591 HB2 TRP 591 18.131 -4.457 3.003 47 HB3 TRP 591 HB3 TRP 591 19.553 -3.614 3.583 48 HD1 TRP 591 HD1 TRP 591 21.216 -2.595 1.709 49 HE1 TRP 591 HE1 TRP 591 20.903 -2.127 -0.800 50 HE3 TRP 591 HE3 TRP 591 17.020 -5.411 0.872 51 HZ2 TRP 591 HZ2 TRP 591 19.125 -2.865 -2.862 52 HZ3 TRP 591 HZ3 TRP 591 16.082 -5.472 -1.401 53 HH2 TRP 591 HH2 TRP 591 17.115 -4.224 -3.227 54 H HIS 592 H HIS 592 21.067 -6.320 1.069 55 HA HIS 592 HA HIS 592 18.981 -7.797 -0.202 56 HB2 HIS 592 HB2 HIS 592 21.458 -6.641 -0.958 57 HB3 HIS 592 HB3 HIS 592 21.561 -8.347 -1.366 58 HD1 HIS 592 HD1 HIS 592 20.953 -5.454 -3.066 59 HD2 HIS 592 HD2 HIS 592 18.689 -8.916 -2.664 60 HE1 HIS 592 HE1 HIS 592 19.390 -5.470 -5.036 61 HE2 HIS 592 HE2 HIS 592 18.102 -7.624 -4.827 62 H GLU 593 H GLU 593 21.257 -8.656 2.161 63 HA GLU 593 HA GLU 593 21.504 -11.441 1.440 64 HB2 GLU 593 HB2 GLU 593 22.384 -9.912 3.879 65 HB3 GLU 593 HB3 GLU 593 22.676 -11.629 3.655 66 HG2 GLU 593 HG2 GLU 593 24.005 -11.143 1.675 67 HG3 GLU 593 HG3 GLU 593 23.702 -9.420 1.877 68 H HIS 594 H HIS 594 19.372 -9.520 3.415 69 HA HIS 594 HA HIS 594 18.172 -11.987 4.471 70 HB2 HIS 594 HB2 HIS 594 17.978 -9.216 5.646 71 HB3 HIS 594 HB3 HIS 594 17.162 -10.637 6.282 72 HD1 HIS 594 HD1 HIS 594 18.998 -12.618 6.989 73 HD2 HIS 594 HD2 HIS 594 20.290 -8.671 6.885 74 HE1 HIS 594 HE1 HIS 594 21.034 -12.542 8.462 75 HE2 HIS 594 HE2 HIS 594 21.730 -10.122 8.474 76 H VAL 595 H VAL 595 17.507 -9.159 2.527 77 HA VAL 595 HA VAL 595 14.643 -9.514 2.644 78 HB VAL 595 HB VAL 595 16.298 -7.806 0.748 79 HG11 VAL 595 HG11 VAL 595 13.298 -7.816 1.150 80 HG12 VAL 595 HG12 VAL 595 14.146 -8.376 -0.292 81 HG13 VAL 595 HG13 VAL 595 14.205 -6.671 0.161 82 HG21 VAL 595 HG21 VAL 595 14.739 -7.179 3.248 83 HG22 VAL 595 HG22 VAL 595 15.316 -5.948 2.118 84 HG23 VAL 595 HG23 VAL 595 16.474 -6.974 2.966 85 H THR 596 H THR 596 13.484 -10.890 1.527 86 HA THR 596 HA THR 596 14.727 -12.333 -0.720 87 HB THR 596 HB THR 596 13.312 -14.235 -0.207 88 HG1 THR 596 HG1 THR 596 12.239 -14.024 2.019 89 HG21 THR 596 HG21 THR 596 14.281 -14.919 1.943 90 HG22 THR 596 HG22 THR 596 14.792 -13.255 2.232 91 HG23 THR 596 HG23 THR 596 15.479 -14.169 0.889 92 H GLN 597 H GLN 597 12.798 -13.557 -1.951 93 HA GLN 597 HA GLN 597 11.042 -11.616 -3.082 94 HB2 GLN 597 HB2 GLN 597 11.176 -14.615 -3.401 95 HB3 GLN 597 HB3 GLN 597 10.055 -13.595 -4.290 96 HG2 GLN 597 HG2 GLN 597 11.893 -12.430 -5.310 97 HG3 GLN 597 HG3 GLN 597 13.064 -13.382 -4.405 98 HE21 GLN 597 HE21 GLN 597 10.486 -15.277 -5.189 99 HE22 GLN 597 HE22 GLN 597 11.085 -16.002 -6.647 100 H ASP 598 H ASP 598 10.969 -13.653 -0.353 101 HA ASP 598 HA ASP 598 8.086 -13.888 -0.162 102 HB2 ASP 598 HB2 ASP 598 10.381 -14.756 1.597 103 HB3 ASP 598 HB3 ASP 598 8.709 -14.894 2.126 104 H LEU 599 H LEU 599 10.665 -11.941 1.403 105 HA LEU 599 HA LEU 599 8.997 -10.646 3.264 106 HB2 LEU 599 HB2 LEU 599 11.445 -10.542 3.418 107 HB3 LEU 599 HB3 LEU 599 11.516 -9.571 1.967 108 HG LEU 599 HG LEU 599 10.343 -7.736 3.144 109 HD11 LEU 599 HD11 LEU 599 9.031 -8.884 4.746 110 HD12 LEU 599 HD12 LEU 599 10.190 -7.923 5.653 111 HD13 LEU 599 HD13 LEU 599 10.445 -9.660 5.462 112 HD21 LEU 599 HD21 LEU 599 12.702 -7.519 3.238 113 HD22 LEU 599 HD22 LEU 599 12.836 -8.797 4.442 114 HD23 LEU 599 HD23 LEU 599 12.124 -7.248 4.881 115 H ARG 600 H ARG 600 9.752 -9.836 -0.105 116 HA ARG 600 HA ARG 600 8.566 -7.276 -0.082 117 HB2 ARG 600 HB2 ARG 600 9.111 -9.157 -2.391 118 HB3 ARG 600 HB3 ARG 600 8.551 -7.506 -2.591 119 HG2 ARG 600 HG2 ARG 600 10.580 -6.623 -1.717 120 HG3 ARG 600 HG3 ARG 600 11.125 -8.221 -1.205 121 HD2 ARG 600 HD2 ARG 600 12.251 -7.548 -3.253 122 HD3 ARG 600 HD3 ARG 600 11.212 -8.942 -3.541 123 HE ARG 600 HE ARG 600 9.779 -6.596 -4.120 124 HH11 ARG 600 HH11 ARG 600 12.442 -8.473 -5.440 125 HH12 ARG 600 HH12 ARG 600 12.154 -7.950 -7.066 126 HH21 ARG 600 HH21 ARG 600 9.424 -5.928 -6.258 127 HH22 ARG 600 HH22 ARG 600 10.448 -6.512 -7.527 128 H SER 601 H SER 601 7.165 -10.425 -0.288 129 HA SER 601 HA SER 601 4.634 -9.540 -1.387 130 HB2 SER 601 HB2 SER 601 3.961 -11.870 -1.193 131 HB3 SER 601 HB3 SER 601 5.591 -11.803 -1.859 132 HG SER 601 HG SER 601 6.221 -12.048 0.484 133 H HIS 602 H HIS 602 5.964 -10.345 1.791 134 HA HIS 602 HA HIS 602 3.451 -10.266 3.187 135 HB2 HIS 602 HB2 HIS 602 6.291 -10.132 4.246 136 HB3 HIS 602 HB3 HIS 602 4.854 -10.382 5.224 137 HD1 HIS 602 HD1 HIS 602 7.124 -12.445 5.249 138 HD2 HIS 602 HD2 HIS 602 3.813 -12.669 2.749 139 HE1 HIS 602 HE1 HIS 602 6.915 -14.873 4.627 140 HE2 HIS 602 HE2 HIS 602 4.964 -14.968 3.036 141 H LEU 603 H LEU 603 6.075 -7.980 2.616 142 HA LEU 603 HA LEU 603 5.051 -5.811 4.060 143 HB2 LEU 603 HB2 LEU 603 6.850 -5.992 1.674 144 HB3 LEU 603 HB3 LEU 603 6.525 -4.494 2.537 145 HG LEU 603 HG LEU 603 7.754 -6.986 3.698 146 HD11 LEU 603 HD11 LEU 603 9.026 -4.351 3.065 147 HD12 LEU 603 HD12 LEU 603 9.327 -5.898 2.267 148 HD13 LEU 603 HD13 LEU 603 9.786 -5.674 3.954 149 HD21 LEU 603 HD21 LEU 603 8.290 -5.202 5.540 150 HD22 LEU 603 HD22 LEU 603 6.803 -6.149 5.531 151 HD23 LEU 603 HD23 LEU 603 6.795 -4.492 4.923 152 H VAL 604 H VAL 604 4.258 -7.096 0.925 153 HA VAL 604 HA VAL 604 2.566 -4.891 0.203 154 HB VAL 604 HB VAL 604 3.291 -7.523 -1.043 155 HG11 VAL 604 HG11 VAL 604 1.226 -7.713 -1.925 156 HG12 VAL 604 HG12 VAL 604 1.745 -6.386 -2.969 157 HG13 VAL 604 HG13 VAL 604 0.798 -6.055 -1.520 158 HG21 VAL 604 HG21 VAL 604 3.302 -4.744 -2.187 159 HG22 VAL 604 HG22 VAL 604 4.190 -6.171 -2.752 160 HG23 VAL 604 HG23 VAL 604 4.641 -5.392 -1.220 161 H HIS 605 H HIS 605 2.272 -8.002 1.790 162 HA HIS 605 HA HIS 605 -0.600 -7.926 2.035 163 HB2 HIS 605 HB2 HIS 605 0.704 -10.051 2.125 164 HB3 HIS 605 HB3 HIS 605 1.421 -9.518 3.640 165 HD1 HIS 605 HD1 HIS 605 -2.104 -10.083 2.298 166 HD2 HIS 605 HD2 HIS 605 0.113 -10.521 5.787 167 HE1 HIS 605 HE1 HIS 605 -3.673 -11.119 3.968 168 HE2 HIS 605 HE2 HIS 605 -2.340 -11.280 6.099 169 H LYS 606 H LYS 606 2.028 -6.405 3.516 170 HA LYS 606 HA LYS 606 0.785 -5.721 6.063 171 HB2 LYS 606 HB2 LYS 606 3.254 -6.021 5.766 172 HB3 LYS 606 HB3 LYS 606 3.263 -4.655 4.668 173 HG2 LYS 606 HG2 LYS 606 2.692 -3.147 6.463 174 HG3 LYS 606 HG3 LYS 606 2.516 -4.498 7.584 175 HD2 LYS 606 HD2 LYS 606 4.894 -5.038 7.299 176 HD3 LYS 606 HD3 LYS 606 5.061 -3.709 6.160 177 HE2 LYS 606 HE2 LYS 606 4.500 -2.135 7.883 178 HE3 LYS 606 HE3 LYS 606 4.226 -3.428 9.036 179 HZ1 LYS 606 HZ1 LYS 606 6.399 -2.432 9.344 180 HZ2 LYS 606 HZ2 LYS 606 6.816 -2.768 7.740 181 HZ3 LYS 606 HZ3 LYS 606 6.564 -4.036 8.829 182 H LEU 607 H LEU 607 1.170 -4.560 2.886 183 HA LEU 607 HA LEU 607 0.403 -1.812 3.312 184 HB2 LEU 607 HB2 LEU 607 2.258 -2.498 1.932 185 HB3 LEU 607 HB3 LEU 607 1.196 -3.472 0.970 186 HG LEU 607 HG LEU 607 0.283 -1.541 -0.123 187 HD11 LEU 607 HD11 LEU 607 1.878 0.155 1.799 188 HD12 LEU 607 HD12 LEU 607 0.118 0.065 1.702 189 HD13 LEU 607 HD13 LEU 607 1.047 0.743 0.354 190 HD21 LEU 607 HD21 LEU 607 2.234 -0.731 -1.197 191 HD22 LEU 607 HD22 LEU 607 2.530 -2.412 -0.741 192 HD23 LEU 607 HD23 LEU 607 3.224 -1.103 0.211 193 H VAL 608 H VAL 608 -0.901 -4.733 1.780 194 HA VAL 608 HA VAL 608 -3.318 -3.512 0.789 195 HB VAL 608 HB VAL 608 -2.393 -6.387 1.031 196 HG11 VAL 608 HG11 VAL 608 -4.795 -6.485 1.367 197 HG12 VAL 608 HG12 VAL 608 -4.390 -7.077 -0.246 198 HG13 VAL 608 HG13 VAL 608 -5.057 -5.458 -0.042 199 HG21 VAL 608 HG21 VAL 608 -3.015 -4.642 -1.353 200 HG22 VAL 608 HG22 VAL 608 -2.433 -6.305 -1.414 201 HG23 VAL 608 HG23 VAL 608 -1.406 -5.037 -0.750 202 H GLN 609 H GLN 609 -2.355 -4.795 3.870 203 HA GLN 609 HA GLN 609 -5.045 -5.312 4.783 204 HB2 GLN 609 HB2 GLN 609 -3.218 -6.730 5.592 205 HB3 GLN 609 HB3 GLN 609 -2.481 -5.329 6.356 206 HG2 GLN 609 HG2 GLN 609 -4.403 -5.107 7.823 207 HG3 GLN 609 HG3 GLN 609 -5.159 -6.470 7.008 208 HE21 GLN 609 HE21 GLN 609 -4.961 -6.689 9.641 209 HE22 GLN 609 HE22 GLN 609 -3.704 -7.782 10.104 210 H ALA 610 H ALA 610 -2.765 -2.718 4.884 211 HA ALA 610 HA ALA 610 -4.210 -1.125 6.794 212 HB1 ALA 610 HB1 ALA 610 -2.102 -0.286 4.814 213 HB2 ALA 610 HB2 ALA 610 -1.776 -0.929 6.423 214 HB3 ALA 610 HB3 ALA 610 -2.625 0.610 6.244 215 H ILE 611 H ILE 611 -4.379 -1.692 3.376 216 HA ILE 611 HA ILE 611 -6.014 0.659 2.855 217 HB ILE 611 HB ILE 611 -5.101 -1.587 1.023 218 HG12 ILE 611 HG12 ILE 611 -4.463 1.362 0.996 219 HG13 ILE 611 HG13 ILE 611 -3.422 0.143 1.697 220 HG21 ILE 611 HG21 ILE 611 -6.805 0.810 0.364 221 HG22 ILE 611 HG22 ILE 611 -7.305 -0.880 0.283 222 HG23 ILE 611 HG23 ILE 611 -6.079 -0.266 -0.826 223 HD11 ILE 611 HD11 ILE 611 -2.539 0.703 -0.434 224 HD12 ILE 611 HD12 ILE 611 -4.119 0.544 -1.197 225 HD13 ILE 611 HD13 ILE 611 -3.284 -0.888 -0.599 226 H PHE 612 H PHE 612 -6.479 -2.882 2.424 227 HA PHE 612 HA PHE 612 -9.166 -2.610 3.535 228 HB2 PHE 612 HB2 PHE 612 -9.391 -2.530 1.068 229 HB3 PHE 612 HB3 PHE 612 -8.539 -4.062 0.943 230 HD1 PHE 612 HD1 PHE 612 -11.615 -2.450 2.160 231 HD2 PHE 612 HD2 PHE 612 -9.692 -6.113 1.186 232 HE1 PHE 612 HE1 PHE 612 -13.777 -3.624 2.336 233 HE2 PHE 612 HE2 PHE 612 -11.846 -7.298 1.355 234 HZ PHE 612 HZ PHE 612 -13.892 -6.051 1.930 235 HA PRO 613 HA PRO 613 -7.402 -6.376 5.445 236 HB2 PRO 613 HB2 PRO 613 -8.549 -6.121 7.867 237 HB3 PRO 613 HB3 PRO 613 -7.078 -5.262 7.426 238 HG2 PRO 613 HG2 PRO 613 -9.780 -4.232 7.659 239 HG3 PRO 613 HG3 PRO 613 -8.366 -3.469 7.946 240 HD2 PRO 613 HD2 PRO 613 -9.804 -3.188 5.625 241 HD3 PRO 613 HD3 PRO 613 -8.252 -2.709 5.791 242 H THR 614 H THR 614 -8.308 -8.380 5.577 243 HA THR 614 HA THR 614 -11.129 -8.754 5.904 244 HB THR 614 HB THR 614 -11.312 -8.262 3.620 245 HG1 THR 614 HG1 THR 614 -11.433 -10.983 4.269 246 HG21 THR 614 HG21 THR 614 -9.099 -10.226 3.045 247 HG22 THR 614 HG22 THR 614 -8.938 -8.472 3.006 248 HG23 THR 614 HG23 THR 614 -9.993 -9.285 1.851 249 HA PRO 615 HA PRO 615 -9.760 -12.620 7.851 250 HB2 PRO 615 HB2 PRO 615 -12.571 -13.218 7.074 251 HB3 PRO 615 HB3 PRO 615 -11.743 -13.558 8.583 252 HG2 PRO 615 HG2 PRO 615 -13.335 -11.523 8.448 253 HG3 PRO 615 HG3 PRO 615 -11.913 -11.350 9.232 254 HD2 PRO 615 HD2 PRO 615 -12.634 -10.330 6.671 255 HD3 PRO 615 HD3 PRO 615 -11.658 -9.644 7.787 256 H ASP 616 H ASP 616 -11.999 -12.897 5.108 257 HA ASP 616 HA ASP 616 -11.062 -15.457 4.284 258 HB2 ASP 616 HB2 ASP 616 -13.394 -14.562 3.934 259 HB3 ASP 616 HB3 ASP 616 -12.737 -13.543 2.656 260 HA PRO 617 HA PRO 617 -7.557 -14.020 1.726 261 HB2 PRO 617 HB2 PRO 617 -6.804 -16.493 0.905 262 HB3 PRO 617 HB3 PRO 617 -6.373 -15.844 2.490 263 HG2 PRO 617 HG2 PRO 617 -8.617 -17.629 1.826 264 HG3 PRO 617 HG3 PRO 617 -7.493 -17.827 2.994 265 HD2 PRO 617 HD2 PRO 617 -9.776 -16.753 3.702 266 HD3 PRO 617 HD3 PRO 617 -8.418 -16.086 4.317 267 H ALA 618 H ALA 618 -10.487 -15.543 0.858 268 HA ALA 618 HA ALA 618 -9.947 -16.082 -1.903 269 HB1 ALA 618 HB1 ALA 618 -12.321 -16.587 -2.060 270 HB2 ALA 618 HB2 ALA 618 -12.592 -15.876 -0.470 271 HB3 ALA 618 HB3 ALA 618 -11.616 -17.336 -0.628 272 H ALA 619 H ALA 619 -10.617 -13.204 -0.233 273 HA ALA 619 HA ALA 619 -11.992 -11.836 -2.385 274 HB1 ALA 619 HB1 ALA 619 -10.761 -10.697 0.117 275 HB2 ALA 619 HB2 ALA 619 -12.418 -11.289 -0.014 276 HB3 ALA 619 HB3 ALA 619 -11.902 -9.888 -0.957 277 H LEU 620 H LEU 620 -8.756 -12.546 -1.615 278 HA LEU 620 HA LEU 620 -7.600 -10.176 -2.789 279 HB2 LEU 620 HB2 LEU 620 -6.333 -12.705 -1.726 280 HB3 LEU 620 HB3 LEU 620 -5.441 -11.320 -2.288 281 HG LEU 620 HG LEU 620 -7.253 -11.370 0.133 282 HD11 LEU 620 HD11 LEU 620 -4.245 -11.249 0.045 283 HD12 LEU 620 HD12 LEU 620 -5.197 -12.678 0.446 284 HD13 LEU 620 HD13 LEU 620 -5.265 -11.251 1.483 285 HD21 LEU 620 HD21 LEU 620 -6.387 -9.174 0.671 286 HD22 LEU 620 HD22 LEU 620 -7.177 -9.158 -0.905 287 HD23 LEU 620 HD23 LEU 620 -5.418 -9.172 -0.801 288 H LYS 621 H LYS 621 -8.964 -12.866 -4.089 289 HA LYS 621 HA LYS 621 -7.068 -13.065 -6.333 290 HB2 LYS 621 HB2 LYS 621 -9.246 -14.991 -5.483 291 HB3 LYS 621 HB3 LYS 621 -8.146 -15.230 -6.825 292 HG2 LYS 621 HG2 LYS 621 -7.380 -15.105 -3.908 293 HG3 LYS 621 HG3 LYS 621 -7.493 -16.564 -4.883 294 HD2 LYS 621 HD2 LYS 621 -5.686 -15.695 -6.336 295 HD3 LYS 621 HD3 LYS 621 -5.562 -14.289 -5.281 296 HE2 LYS 621 HE2 LYS 621 -5.148 -15.841 -3.405 297 HE3 LYS 621 HE3 LYS 621 -5.035 -17.153 -4.568 298 HZ1 LYS 621 HZ1 LYS 621 -3.197 -15.985 -5.633 299 HZ2 LYS 621 HZ2 LYS 621 -2.849 -16.301 -4.008 300 HZ3 LYS 621 HZ3 LYS 621 -3.297 -14.743 -4.488 301 H ASP 622 H ASP 622 -9.394 -11.127 -5.683 302 HA ASP 622 HA ASP 622 -11.315 -11.580 -7.795 303 HB2 ASP 622 HB2 ASP 622 -11.939 -10.626 -5.580 304 HB3 ASP 622 HB3 ASP 622 -10.973 -9.204 -5.945 305 H ARG 623 H ARG 623 -11.825 -9.805 -9.354 306 HA ARG 623 HA ARG 623 -9.463 -9.182 -10.877 307 HB2 ARG 623 HB2 ARG 623 -12.400 -8.667 -11.365 308 HB3 ARG 623 HB3 ARG 623 -11.146 -8.153 -12.483 309 HG2 ARG 623 HG2 ARG 623 -11.462 -10.988 -11.616 310 HG3 ARG 623 HG3 ARG 623 -12.347 -10.332 -12.996 311 HD2 ARG 623 HD2 ARG 623 -10.483 -11.270 -14.018 312 HD3 ARG 623 HD3 ARG 623 -9.987 -9.592 -13.810 313 HE ARG 623 HE ARG 623 -9.203 -11.228 -11.604 314 HH11 ARG 623 HH11 ARG 623 -8.266 -10.321 -14.868 315 HH12 ARG 623 HH12 ARG 623 -6.591 -10.674 -14.607 316 HH21 ARG 623 HH21 ARG 623 -7.004 -11.679 -11.287 317 HH22 ARG 623 HH22 ARG 623 -5.879 -11.442 -12.582 318 H ARG 624 H ARG 624 -11.971 -7.396 -9.194 319 HA ARG 624 HA ARG 624 -10.993 -4.780 -9.850 320 HB2 ARG 624 HB2 ARG 624 -12.994 -5.756 -7.802 321 HB3 ARG 624 HB3 ARG 624 -12.626 -4.057 -8.043 322 HG2 ARG 624 HG2 ARG 624 -13.423 -4.223 -10.363 323 HG3 ARG 624 HG3 ARG 624 -13.813 -5.921 -10.101 324 HD2 ARG 624 HD2 ARG 624 -14.996 -4.172 -8.092 325 HD3 ARG 624 HD3 ARG 624 -15.512 -3.771 -9.730 326 HE ARG 624 HE ARG 624 -15.667 -6.563 -8.876 327 HH11 ARG 624 HH11 ARG 624 -17.379 -3.590 -9.644 328 HH12 ARG 624 HH12 ARG 624 -18.916 -4.378 -9.781 329 HH21 ARG 624 HH21 ARG 624 -17.689 -7.568 -9.059 330 HH22 ARG 624 HH22 ARG 624 -19.089 -6.627 -9.448 331 H MET 625 H MET 625 -10.180 -7.094 -7.428 332 HA MET 625 HA MET 625 -8.977 -5.165 -5.614 333 HB2 MET 625 HB2 MET 625 -10.108 -7.075 -4.636 334 HB3 MET 625 HB3 MET 625 -9.118 -8.184 -5.579 335 HG2 MET 625 HG2 MET 625 -8.332 -8.167 -3.313 336 HG3 MET 625 HG3 MET 625 -7.126 -7.396 -4.340 337 HE1 MET 625 HE1 MET 625 -9.592 -7.031 -1.404 338 HE2 MET 625 HE2 MET 625 -8.673 -5.792 -0.551 339 HE3 MET 625 HE3 MET 625 -7.891 -7.305 -1.018 340 H GLU 626 H GLU 626 -7.980 -7.609 -7.949 341 HA GLU 626 HA GLU 626 -5.250 -7.703 -7.502 342 HB2 GLU 626 HB2 GLU 626 -6.546 -9.221 -8.986 343 HB3 GLU 626 HB3 GLU 626 -6.632 -7.935 -10.179 344 HG2 GLU 626 HG2 GLU 626 -4.906 -9.444 -10.830 345 HG3 GLU 626 HG3 GLU 626 -4.142 -7.950 -10.283 346 H ASN 627 H ASN 627 -7.091 -5.113 -8.854 347 HA ASN 627 HA ASN 627 -5.059 -3.851 -10.392 348 HB2 ASN 627 HB2 ASN 627 -7.644 -2.840 -9.214 349 HB3 ASN 627 HB3 ASN 627 -6.557 -1.797 -10.122 350 HD21 ASN 627 HD21 ASN 627 -9.203 -2.363 -10.849 351 HD22 ASN 627 HD22 ASN 627 -9.182 -3.224 -12.347 352 H LEU 628 H LEU 628 -6.020 -3.558 -6.981 353 HA LEU 628 HA LEU 628 -4.091 -1.438 -6.592 354 HB2 LEU 628 HB2 LEU 628 -6.099 -2.644 -4.712 355 HB3 LEU 628 HB3 LEU 628 -4.851 -1.570 -4.145 356 HG LEU 628 HG LEU 628 -7.166 -0.874 -5.970 357 HD11 LEU 628 HD11 LEU 628 -6.371 0.237 -3.281 358 HD12 LEU 628 HD12 LEU 628 -7.596 -1.009 -3.516 359 HD13 LEU 628 HD13 LEU 628 -7.834 0.606 -4.202 360 HD21 LEU 628 HD21 LEU 628 -4.713 0.672 -5.205 361 HD22 LEU 628 HD22 LEU 628 -6.207 1.459 -5.721 362 HD23 LEU 628 HD23 LEU 628 -5.356 0.368 -6.824 363 H VAL 629 H VAL 629 -4.379 -4.855 -6.005 364 HA VAL 629 HA VAL 629 -2.107 -5.353 -4.446 365 HB VAL 629 HB VAL 629 -3.347 -6.966 -6.695 366 HG11 VAL 629 HG11 VAL 629 -2.130 -8.931 -5.897 367 HG12 VAL 629 HG12 VAL 629 -1.248 -7.924 -4.742 368 HG13 VAL 629 HG13 VAL 629 -1.023 -7.680 -6.478 369 HG21 VAL 629 HG21 VAL 629 -4.288 -8.319 -4.890 370 HG22 VAL 629 HG22 VAL 629 -4.777 -6.630 -4.747 371 HG23 VAL 629 HG23 VAL 629 -3.512 -7.274 -3.700 372 H ALA 630 H ALA 630 -2.469 -4.604 -7.838 373 HA ALA 630 HA ALA 630 0.318 -4.920 -8.496 374 HB1 ALA 630 HB1 ALA 630 -1.355 -5.457 -10.138 375 HB2 ALA 630 HB2 ALA 630 -0.424 -4.068 -10.709 376 HB3 ALA 630 HB3 ALA 630 -2.041 -3.836 -10.028 377 H TYR 631 H TYR 631 -1.743 -2.449 -7.304 378 HA TYR 631 HA TYR 631 -0.098 -0.184 -7.964 379 HB2 TYR 631 HB2 TYR 631 -2.547 -0.021 -7.587 380 HB3 TYR 631 HB3 TYR 631 -2.309 -0.531 -5.928 381 HD1 TYR 631 HD1 TYR 631 -0.790 2.179 -8.074 382 HD2 TYR 631 HD2 TYR 631 -2.740 1.111 -4.432 383 HE1 TYR 631 HE1 TYR 631 -0.657 4.515 -7.332 384 HE2 TYR 631 HE2 TYR 631 -2.618 3.456 -3.693 385 HH TYR 631 HH TYR 631 -1.826 6.014 -5.772 386 H ALA 632 H ALA 632 -0.484 -2.382 -5.259 387 HA ALA 632 HA ALA 632 1.372 -0.993 -3.521 388 HB1 ALA 632 HB1 ALA 632 -0.384 -2.101 -2.425 389 HB2 ALA 632 HB2 ALA 632 1.073 -3.055 -2.116 390 HB3 ALA 632 HB3 ALA 632 -0.101 -3.598 -3.316 391 H LYS 633 H LYS 633 1.369 -3.742 -5.714 392 HA LYS 633 HA LYS 633 3.911 -4.828 -5.043 393 HB2 LYS 633 HB2 LYS 633 1.879 -5.182 -7.151 394 HB3 LYS 633 HB3 LYS 633 3.520 -5.501 -7.679 395 HG2 LYS 633 HG2 LYS 633 3.784 -7.199 -5.974 396 HG3 LYS 633 HG3 LYS 633 2.197 -6.818 -5.317 397 HD2 LYS 633 HD2 LYS 633 1.113 -7.602 -7.318 398 HD3 LYS 633 HD3 LYS 633 2.664 -7.827 -8.111 399 HE2 LYS 633 HE2 LYS 633 1.793 -9.965 -7.369 400 HE3 LYS 633 HE3 LYS 633 3.243 -9.554 -6.456 401 HZ1 LYS 633 HZ1 LYS 633 1.842 -8.820 -4.628 402 HZ2 LYS 633 HZ2 LYS 633 1.521 -10.435 -5.016 403 HZ3 LYS 633 HZ3 LYS 633 0.449 -9.220 -5.502 404 H LYS 634 H LYS 634 2.894 -2.077 -6.798 405 HA LYS 634 HA LYS 634 5.242 -1.754 -8.438 406 HB2 LYS 634 HB2 LYS 634 3.653 -0.637 -9.580 407 HB3 LYS 634 HB3 LYS 634 2.613 -0.527 -8.171 408 HG2 LYS 634 HG2 LYS 634 3.145 1.606 -7.814 409 HG3 LYS 634 HG3 LYS 634 4.871 1.298 -8.007 410 HD2 LYS 634 HD2 LYS 634 4.426 1.265 -10.519 411 HD3 LYS 634 HD3 LYS 634 2.832 1.914 -10.144 412 HE2 LYS 634 HE2 LYS 634 5.447 3.209 -9.366 413 HE3 LYS 634 HE3 LYS 634 4.492 3.656 -10.776 414 HZ1 LYS 634 HZ1 LYS 634 4.059 5.129 -8.915 415 HZ2 LYS 634 HZ2 LYS 634 3.602 3.823 -7.944 416 HZ3 LYS 634 HZ3 LYS 634 2.666 4.244 -9.290 417 H VAL 635 H VAL 635 3.986 -0.368 -5.399 418 HA VAL 635 HA VAL 635 5.963 1.685 -5.286 419 HB VAL 635 HB VAL 635 4.082 0.720 -3.127 420 HG11 VAL 635 HG11 VAL 635 5.976 3.056 -3.050 421 HG12 VAL 635 HG12 VAL 635 5.995 1.625 -2.017 422 HG13 VAL 635 HG13 VAL 635 4.665 2.781 -1.902 423 HG21 VAL 635 HG21 VAL 635 2.872 2.806 -3.477 424 HG22 VAL 635 HG22 VAL 635 2.936 1.859 -4.962 425 HG23 VAL 635 HG23 VAL 635 3.991 3.261 -4.768 426 H GLU 636 H GLU 636 5.668 -1.476 -3.709 427 HA GLU 636 HA GLU 636 7.729 -1.365 -1.837 428 HB2 GLU 636 HB2 GLU 636 7.744 -3.819 -1.976 429 HB3 GLU 636 HB3 GLU 636 6.106 -3.193 -1.964 430 HG2 GLU 636 HG2 GLU 636 5.788 -4.645 -3.641 431 HG3 GLU 636 HG3 GLU 636 6.539 -3.402 -4.627 432 H GLY 637 H GLY 637 7.933 -1.842 -5.325 433 HA2 GLY 637 HA2 GLY 637 10.691 -2.702 -5.321 434 HA3 GLY 637 HA3 GLY 637 9.715 -2.326 -6.731 435 H ASP 638 H ASP 638 9.079 0.349 -5.345 436 HA ASP 638 HA ASP 638 11.321 1.809 -6.460 437 HB2 ASP 638 HB2 ASP 638 8.666 2.685 -5.326 438 HB3 ASP 638 HB3 ASP 638 9.908 3.830 -5.823 439 H MET 639 H MET 639 10.286 0.765 -3.346 440 HA MET 639 HA MET 639 11.579 2.745 -1.762 441 HB2 MET 639 HB2 MET 639 10.793 -0.089 -1.060 442 HB3 MET 639 HB3 MET 639 11.349 1.123 0.097 443 HG2 MET 639 HG2 MET 639 9.422 2.529 -0.583 444 HG3 MET 639 HG3 MET 639 8.851 1.198 -1.565 445 HE1 MET 639 HE1 MET 639 8.148 -1.555 1.094 446 HE2 MET 639 HE2 MET 639 9.713 -1.279 0.317 447 HE3 MET 639 HE3 MET 639 8.224 -1.146 -0.625 448 H TYR 640 H TYR 640 12.748 -0.016 -3.482 449 HA TYR 640 HA TYR 640 15.128 -0.408 -1.894 450 HB2 TYR 640 HB2 TYR 640 15.196 -2.387 -2.952 451 HB3 TYR 640 HB3 TYR 640 13.689 -1.932 -3.749 452 HD1 TYR 640 HD1 TYR 640 17.167 -2.694 -4.188 453 HD2 TYR 640 HD2 TYR 640 13.848 -0.746 -6.013 454 HE1 TYR 640 HE1 TYR 640 18.309 -2.802 -6.364 455 HE2 TYR 640 HE2 TYR 640 14.983 -0.847 -8.192 456 HH TYR 640 HH TYR 640 17.253 -1.041 -9.078 457 H GLU 641 H GLU 641 14.226 1.356 -4.779 458 HA GLU 641 HA GLU 641 16.975 2.018 -5.467 459 HB2 GLU 641 HB2 GLU 641 15.300 1.591 -7.245 460 HB3 GLU 641 HB3 GLU 641 14.400 2.993 -6.706 461 HG2 GLU 641 HG2 GLU 641 15.626 3.656 -8.602 462 HG3 GLU 641 HG3 GLU 641 16.402 4.374 -7.198 463 H SER 642 H SER 642 14.408 3.356 -3.600 464 HA SER 642 HA SER 642 15.474 6.073 -3.722 465 HB2 SER 642 HB2 SER 642 13.452 6.681 -2.419 466 HB3 SER 642 HB3 SER 642 13.057 5.841 -3.916 467 HG SER 642 HG SER 642 12.790 5.000 -1.271 468 H ALA 643 H ALA 643 15.178 3.377 -1.472 469 HA ALA 643 HA ALA 643 16.388 4.972 0.677 470 HB1 ALA 643 HB1 ALA 643 15.087 2.256 0.802 471 HB2 ALA 643 HB2 ALA 643 14.334 3.786 1.246 472 HB3 ALA 643 HB3 ALA 643 15.699 3.174 2.177 473 H ASN 644 H ASN 644 18.273 4.374 1.703 474 HA ASN 644 HA ASN 644 19.864 2.256 0.410 475 HB2 ASN 644 HB2 ASN 644 20.563 4.995 1.286 476 HB3 ASN 644 HB3 ASN 644 21.755 3.760 1.668 477 HD21 ASN 644 HD21 ASN 644 20.838 5.976 -0.572 478 HD22 ASN 644 HD22 ASN 644 21.626 5.325 -1.968 479 H SER 645 H SER 645 18.189 2.947 3.177 480 HA SER 645 HA SER 645 19.802 1.093 4.798 481 HB2 SER 645 HB2 SER 645 19.350 2.443 6.798 482 HB3 SER 645 HB3 SER 645 20.193 3.408 5.585 483 HG SER 645 HG SER 645 17.517 3.536 6.427 484 H ARG 646 H ARG 646 18.609 -0.076 6.404 485 HA ARG 646 HA ARG 646 16.142 -1.064 5.405 486 HB2 ARG 646 HB2 ARG 646 16.741 -2.863 6.564 487 HB3 ARG 646 HB3 ARG 646 18.141 -1.975 7.143 488 HG2 ARG 646 HG2 ARG 646 16.707 -1.129 9.024 489 HG3 ARG 646 HG3 ARG 646 15.463 -2.261 8.493 490 HD2 ARG 646 HD2 ARG 646 16.733 -4.126 9.086 491 HD3 ARG 646 HD3 ARG 646 18.247 -3.225 9.064 492 HE ARG 646 HE ARG 646 16.354 -3.421 11.247 493 HH11 ARG 646 HH11 ARG 646 19.113 -1.659 9.970 494 HH12 ARG 646 HH12 ARG 646 19.562 -1.020 11.516 495 HH21 ARG 646 HH21 ARG 646 16.962 -2.572 13.254 496 HH22 ARG 646 HH22 ARG 646 18.344 -1.536 13.372 497 H ASP 647 H ASP 647 16.893 1.313 7.822 498 HA ASP 647 HA ASP 647 14.306 1.182 9.103 499 HB2 ASP 647 HB2 ASP 647 16.629 3.098 9.376 500 HB3 ASP 647 HB3 ASP 647 15.118 3.302 10.257 501 H GLU 648 H GLU 648 15.780 3.035 6.524 502 HA GLU 648 HA GLU 648 13.556 4.897 6.332 503 HB2 GLU 648 HB2 GLU 648 16.007 4.481 4.594 504 HB3 GLU 648 HB3 GLU 648 14.797 5.717 4.300 505 HG2 GLU 648 HG2 GLU 648 15.331 6.777 6.425 506 HG3 GLU 648 HG3 GLU 648 16.511 5.514 6.775 507 H TYR 649 H TYR 649 14.771 2.028 4.698 508 HA TYR 649 HA TYR 649 13.033 1.936 2.508 509 HB2 TYR 649 HB2 TYR 649 15.048 0.564 2.658 510 HB3 TYR 649 HB3 TYR 649 14.412 -0.281 4.053 511 HD1 TYR 649 HD1 TYR 649 14.113 0.156 0.416 512 HD2 TYR 649 HD2 TYR 649 12.951 -2.190 3.769 513 HE1 TYR 649 HE1 TYR 649 13.242 -1.551 -1.098 514 HE2 TYR 649 HE2 TYR 649 12.067 -3.916 2.253 515 HH TYR 649 HH TYR 649 12.733 -3.949 -1.083 516 H TYR 650 H TYR 650 12.732 0.285 5.663 517 HA TYR 650 HA TYR 650 10.087 -0.630 5.230 518 HB2 TYR 650 HB2 TYR 650 11.701 -0.336 7.775 519 HB3 TYR 650 HB3 TYR 650 10.143 -1.146 7.677 520 HD1 TYR 650 HD1 TYR 650 13.373 -1.923 8.083 521 HD2 TYR 650 HD2 TYR 650 10.247 -2.759 5.310 522 HE1 TYR 650 HE1 TYR 650 14.518 -3.973 7.419 523 HE2 TYR 650 HE2 TYR 650 11.382 -4.842 4.661 524 HH TYR 650 HH TYR 650 13.669 -5.774 4.682 525 H HIS 651 H HIS 651 11.262 2.462 6.122 526 HA HIS 651 HA HIS 651 8.909 3.264 7.620 527 HB2 HIS 651 HB2 HIS 651 11.584 4.280 7.224 528 HB3 HIS 651 HB3 HIS 651 10.408 5.547 6.918 529 HD1 HIS 651 HD1 HIS 651 9.090 6.459 8.917 530 HD2 HIS 651 HD2 HIS 651 11.688 3.370 9.912 531 HE1 HIS 651 HE1 HIS 651 9.215 6.466 11.428 532 HE2 HIS 651 HE2 HIS 651 10.762 4.565 12.011 533 H LEU 652 H LEU 652 9.997 3.371 4.323 534 HA LEU 652 HA LEU 652 8.336 5.508 3.440 535 HB2 LEU 652 HB2 LEU 652 9.890 3.366 2.052 536 HB3 LEU 652 HB3 LEU 652 8.873 4.476 1.167 537 HG LEU 652 HG LEU 652 11.147 5.347 2.948 538 HD11 LEU 652 HD11 LEU 652 11.910 4.000 1.045 539 HD12 LEU 652 HD12 LEU 652 12.417 5.686 0.930 540 HD13 LEU 652 HD13 LEU 652 11.071 5.097 -0.049 541 HD21 LEU 652 HD21 LEU 652 9.438 7.057 2.628 542 HD22 LEU 652 HD22 LEU 652 9.518 6.831 0.882 543 HD23 LEU 652 HD23 LEU 652 10.909 7.478 1.753 544 H LEU 653 H LEU 653 8.012 1.992 3.535 545 HA LEU 653 HA LEU 653 5.435 1.941 2.259 546 HB2 LEU 653 HB2 LEU 653 6.916 0.006 2.164 547 HB3 LEU 653 HB3 LEU 653 6.859 -0.143 3.906 548 HG LEU 653 HG LEU 653 4.190 -0.272 2.840 549 HD11 LEU 653 HD11 LEU 653 6.190 -2.170 1.669 550 HD12 LEU 653 HD12 LEU 653 5.196 -1.009 0.792 551 HD13 LEU 653 HD13 LEU 653 4.440 -2.376 1.614 552 HD21 LEU 653 HD21 LEU 653 5.627 -2.601 3.992 553 HD22 LEU 653 HD22 LEU 653 3.962 -2.052 4.238 554 HD23 LEU 653 HD23 LEU 653 5.297 -1.202 5.010 555 H ALA 654 H ALA 654 6.592 2.203 5.554 556 HA ALA 654 HA ALA 654 4.063 1.616 6.813 557 HB1 ALA 654 HB1 ALA 654 6.196 1.145 7.928 558 HB2 ALA 654 HB2 ALA 654 5.168 2.213 8.881 559 HB3 ALA 654 HB3 ALA 654 6.539 2.875 7.991 560 H GLU 655 H GLU 655 5.662 4.498 5.622 561 HA GLU 655 HA GLU 655 3.980 6.313 7.082 562 HB2 GLU 655 HB2 GLU 655 6.069 6.678 4.961 563 HB3 GLU 655 HB3 GLU 655 4.988 8.004 5.347 564 HG2 GLU 655 HG2 GLU 655 5.759 7.993 7.648 565 HG3 GLU 655 HG3 GLU 655 6.797 6.612 7.315 566 H LYS 656 H LYS 656 3.861 4.829 3.897 567 HA LYS 656 HA LYS 656 1.594 6.299 2.962 568 HB2 LYS 656 HB2 LYS 656 2.437 3.491 2.236 569 HB3 LYS 656 HB3 LYS 656 1.241 4.432 1.382 570 HG2 LYS 656 HG2 LYS 656 4.219 4.789 1.427 571 HG3 LYS 656 HG3 LYS 656 3.151 4.543 0.041 572 HD2 LYS 656 HD2 LYS 656 2.289 6.766 0.227 573 HD3 LYS 656 HD3 LYS 656 3.081 7.011 1.784 574 HE2 LYS 656 HE2 LYS 656 4.329 8.160 0.075 575 HE3 LYS 656 HE3 LYS 656 5.273 6.789 0.657 576 HZ1 LYS 656 HZ1 LYS 656 3.671 6.853 -1.842 577 HZ2 LYS 656 HZ2 LYS 656 4.562 5.528 -1.283 578 HZ3 LYS 656 HZ3 LYS 656 5.357 6.947 -1.745 579 H ILE 657 H ILE 657 2.129 3.614 5.065 580 HA ILE 657 HA ILE 657 -0.496 2.516 5.091 581 HB ILE 657 HB ILE 657 2.025 2.128 6.639 582 HG12 ILE 657 HG12 ILE 657 0.118 0.200 5.292 583 HG13 ILE 657 HG13 ILE 657 1.504 0.944 4.516 584 HG21 ILE 657 HG21 ILE 657 0.183 2.232 8.376 585 HG22 ILE 657 HG22 ILE 657 1.145 0.748 8.328 586 HG23 ILE 657 HG23 ILE 657 -0.475 0.771 7.626 587 HD11 ILE 657 HD11 ILE 657 3.010 -0.270 5.974 588 HD12 ILE 657 HD12 ILE 657 1.900 -1.388 5.182 589 HD13 ILE 657 HD13 ILE 657 1.643 -0.938 6.865 590 H TYR 658 H TYR 658 1.054 5.127 6.798 591 HA TYR 658 HA TYR 658 -1.030 5.337 8.791 592 HB2 TYR 658 HB2 TYR 658 1.413 6.993 8.155 593 HB3 TYR 658 HB3 TYR 658 0.254 7.471 9.380 594 HD1 TYR 658 HD1 TYR 658 3.323 5.962 8.943 595 HD2 TYR 658 HD2 TYR 658 -0.324 5.388 11.064 596 HE1 TYR 658 HE1 TYR 658 4.507 4.586 10.601 597 HE2 TYR 658 HE2 TYR 658 0.854 4.008 12.723 598 HH TYR 658 HH TYR 658 4.236 3.872 12.935 599 H LYS 659 H LYS 659 -0.147 6.826 5.737 600 HA LYS 659 HA LYS 659 -1.933 9.062 5.923 601 HB2 LYS 659 HB2 LYS 659 -0.011 9.342 4.560 602 HB3 LYS 659 HB3 LYS 659 -0.369 7.905 3.626 603 HG2 LYS 659 HG2 LYS 659 -0.855 9.790 2.273 604 HG3 LYS 659 HG3 LYS 659 -2.391 9.068 2.744 605 HD2 LYS 659 HD2 LYS 659 -2.727 10.777 4.434 606 HD3 LYS 659 HD3 LYS 659 -1.143 11.470 4.095 607 HE2 LYS 659 HE2 LYS 659 -1.863 12.014 1.838 608 HE3 LYS 659 HE3 LYS 659 -3.450 11.329 2.167 609 HZ1 LYS 659 HZ1 LYS 659 -2.254 13.676 3.545 610 HZ2 LYS 659 HZ2 LYS 659 -3.769 13.008 3.888 611 HZ3 LYS 659 HZ3 LYS 659 -3.485 13.728 2.385 612 H ILE 660 H ILE 660 -2.111 5.864 4.459 613 HA ILE 660 HA ILE 660 -4.600 6.220 3.110 614 HB ILE 660 HB ILE 660 -3.177 3.714 4.069 615 HG12 ILE 660 HG12 ILE 660 -3.642 4.558 1.215 616 HG13 ILE 660 HG13 ILE 660 -2.291 5.209 2.131 617 HG21 ILE 660 HG21 ILE 660 -5.639 3.862 2.320 618 HG22 ILE 660 HG22 ILE 660 -5.599 3.293 3.988 619 HG23 ILE 660 HG23 ILE 660 -4.741 2.404 2.735 620 HD11 ILE 660 HD11 ILE 660 -1.694 3.292 0.687 621 HD12 ILE 660 HD12 ILE 660 -2.763 2.272 1.649 622 HD13 ILE 660 HD13 ILE 660 -1.348 3.013 2.392 623 H GLN 661 H GLN 661 -3.667 5.313 6.345 624 HA GLN 661 HA GLN 661 -6.276 4.695 7.325 625 HB2 GLN 661 HB2 GLN 661 -3.596 5.170 8.575 626 HB3 GLN 661 HB3 GLN 661 -5.028 5.020 9.578 627 HG2 GLN 661 HG2 GLN 661 -5.446 2.800 8.492 628 HG3 GLN 661 HG3 GLN 661 -3.900 2.963 7.696 629 HE21 GLN 661 HE21 GLN 661 -1.989 3.248 9.197 630 HE22 GLN 661 HE22 GLN 661 -2.014 2.316 10.645 631 H LYS 662 H LYS 662 -4.559 7.641 6.775 632 HA LYS 662 HA LYS 662 -6.094 9.277 8.605 633 HB2 LYS 662 HB2 LYS 662 -3.777 9.872 7.896 634 HB3 LYS 662 HB3 LYS 662 -4.392 10.156 6.283 635 HG2 LYS 662 HG2 LYS 662 -4.068 12.242 7.466 636 HG3 LYS 662 HG3 LYS 662 -5.754 12.000 7.083 637 HD2 LYS 662 HD2 LYS 662 -6.225 11.412 9.372 638 HD3 LYS 662 HD3 LYS 662 -4.519 11.449 9.782 639 HE2 LYS 662 HE2 LYS 662 -5.363 13.446 10.570 640 HE3 LYS 662 HE3 LYS 662 -4.559 13.871 9.077 641 HZ1 LYS 662 HZ1 LYS 662 -6.709 14.966 9.261 642 HZ2 LYS 662 HZ2 LYS 662 -7.485 13.469 9.390 643 HZ3 LYS 662 HZ3 LYS 662 -6.694 13.890 7.955 644 H GLU 663 H GLU 663 -6.159 8.586 5.118 645 HA GLU 663 HA GLU 663 -8.112 10.541 4.483 646 HB2 GLU 663 HB2 GLU 663 -7.127 8.149 2.927 647 HB3 GLU 663 HB3 GLU 663 -8.157 9.396 2.280 648 HG2 GLU 663 HG2 GLU 663 -5.320 9.761 3.221 649 HG3 GLU 663 HG3 GLU 663 -5.871 9.699 1.548 650 H LEU 664 H LEU 664 -8.265 7.050 4.986 651 HA LEU 664 HA LEU 664 -11.069 6.789 4.670 652 HB2 LEU 664 HB2 LEU 664 -9.042 5.038 6.035 653 HB3 LEU 664 HB3 LEU 664 -10.731 4.604 5.876 654 HG LEU 664 HG LEU 664 -8.869 5.110 3.550 655 HD11 LEU 664 HD11 LEU 664 -8.926 2.683 3.251 656 HD12 LEU 664 HD12 LEU 664 -9.842 2.530 4.751 657 HD13 LEU 664 HD13 LEU 664 -8.189 3.144 4.786 658 HD21 LEU 664 HD21 LEU 664 -10.697 3.931 2.286 659 HD22 LEU 664 HD22 LEU 664 -11.115 5.538 2.874 660 HD23 LEU 664 HD23 LEU 664 -11.713 4.109 3.718 661 H GLU 665 H GLU 665 -9.160 7.982 7.266 662 HA GLU 665 HA GLU 665 -10.784 7.286 9.478 663 HB2 GLU 665 HB2 GLU 665 -8.398 8.792 8.973 664 HB3 GLU 665 HB3 GLU 665 -9.435 9.726 10.033 665 HG2 GLU 665 HG2 GLU 665 -8.466 6.913 10.540 666 HG3 GLU 665 HG3 GLU 665 -7.808 8.375 11.269 667 H GLU 666 H GLU 666 -10.869 9.985 7.207 668 HA GLU 666 HA GLU 666 -12.962 11.423 8.552 669 HB2 GLU 666 HB2 GLU 666 -11.709 11.610 5.823 670 HB3 GLU 666 HB3 GLU 666 -13.151 12.535 6.212 671 HG2 GLU 666 HG2 GLU 666 -10.770 12.692 8.003 672 HG3 GLU 666 HG3 GLU 666 -10.790 13.593 6.489 673 H LYS 667 H LYS 667 -12.803 8.785 6.333 674 HA LYS 667 HA LYS 667 -15.626 8.819 5.677 675 HB2 LYS 667 HB2 LYS 667 -13.327 7.003 4.998 676 HB3 LYS 667 HB3 LYS 667 -14.975 6.575 4.582 677 HG2 LYS 667 HG2 LYS 667 -14.156 7.504 2.626 678 HG3 LYS 667 HG3 LYS 667 -15.018 8.860 3.359 679 HD2 LYS 667 HD2 LYS 667 -12.889 9.736 4.212 680 HD3 LYS 667 HD3 LYS 667 -12.037 8.368 3.504 681 HE2 LYS 667 HE2 LYS 667 -12.803 9.117 1.267 682 HE3 LYS 667 HE3 LYS 667 -13.554 10.514 2.031 683 HZ1 LYS 667 HZ1 LYS 667 -11.379 11.238 2.785 684 HZ2 LYS 667 HZ2 LYS 667 -11.377 11.048 1.103 685 HZ3 LYS 667 HZ3 LYS 667 -10.651 9.878 2.086 686 H ARG 668 H ARG 668 -13.649 7.662 8.195 687 HA ARG 668 HA ARG 668 -15.278 5.375 8.911 688 HB2 ARG 668 HB2 ARG 668 -12.822 5.343 9.192 689 HB3 ARG 668 HB3 ARG 668 -12.946 6.645 10.362 690 HG2 ARG 668 HG2 ARG 668 -14.232 5.215 11.838 691 HG3 ARG 668 HG3 ARG 668 -14.147 3.903 10.666 692 HD2 ARG 668 HD2 ARG 668 -11.813 5.196 12.072 693 HD3 ARG 668 HD3 ARG 668 -12.479 3.599 12.422 694 HE ARG 668 HE ARG 668 -11.789 3.620 9.731 695 HH11 ARG 668 HH11 ARG 668 -10.092 3.887 12.798 696 HH12 ARG 668 HH12 ARG 668 -8.625 3.210 12.173 697 HH21 ARG 668 HH21 ARG 668 -9.858 2.739 8.940 698 HH22 ARG 668 HH22 ARG 668 -8.493 2.563 9.991 699 H ARG 669 H ARG 669 -14.449 8.506 10.458 700 HA ARG 669 HA ARG 669 -16.596 8.131 12.397 701 HB2 ARG 669 HB2 ARG 669 -14.399 10.191 12.186 702 HB3 ARG 669 HB3 ARG 669 -15.680 10.275 13.386 703 HG2 ARG 669 HG2 ARG 669 -14.956 8.028 14.197 704 HG3 ARG 669 HG3 ARG 669 -13.582 8.143 13.092 705 HD2 ARG 669 HD2 ARG 669 -14.203 10.247 15.127 706 HD3 ARG 669 HD3 ARG 669 -13.176 8.861 15.489 707 HE ARG 669 HE ARG 669 -11.634 9.659 13.802 708 HH11 ARG 669 HH11 ARG 669 -14.081 11.979 14.789 709 HH12 ARG 669 HH12 ARG 669 -13.159 13.347 14.264 710 HH21 ARG 669 HH21 ARG 669 -10.445 11.465 13.124 711 HH22 ARG 669 HH22 ARG 669 -11.102 13.055 13.323 712 H SER 670 H SER 670 -15.653 10.493 9.897 713 HA SER 670 HA SER 670 -18.089 12.018 10.293 714 HB2 SER 670 HB2 SER 670 -16.918 13.724 9.452 715 HB3 SER 670 HB3 SER 670 -15.525 12.646 9.460 716 HG SER 670 HG SER 670 -16.287 13.750 7.386 717 H ARG 671 H ARG 671 -16.932 9.544 8.187 718 HA ARG 671 HA ARG 671 -17.877 8.309 6.545 719 HB2 ARG 671 HB2 ARG 671 -20.406 9.805 7.210 720 HB3 ARG 671 HB3 ARG 671 -20.312 8.415 6.138 721 HG2 ARG 671 HG2 ARG 671 -19.457 7.071 8.039 722 HG3 ARG 671 HG3 ARG 671 -19.686 8.467 9.084 723 HD2 ARG 671 HD2 ARG 671 -22.070 8.484 8.487 724 HD3 ARG 671 HD3 ARG 671 -21.788 7.033 7.530 725 HE ARG 671 HE ARG 671 -21.992 7.211 10.411 726 HH11 ARG 671 HH11 ARG 671 -20.948 5.209 7.715 727 HH12 ARG 671 HH12 ARG 671 -20.992 3.745 8.640 728 HH21 ARG 671 HH21 ARG 671 -22.043 5.281 11.595 729 HH22 ARG 671 HH22 ARG 671 -21.614 3.787 10.833 730 H LEU 672 H LEU 672 -17.329 11.518 6.280 731 HA LEU 672 HA LEU 672 -17.924 11.552 3.395 732 HB2 LEU 672 HB2 LEU 672 -17.595 13.933 5.231 733 HB3 LEU 672 HB3 LEU 672 -17.894 14.012 3.509 734 HG LEU 672 HG LEU 672 -19.824 12.845 5.523 735 HD11 LEU 672 HD11 LEU 672 -19.899 15.529 4.151 736 HD12 LEU 672 HD12 LEU 672 -19.579 15.249 5.863 737 HD13 LEU 672 HD13 LEU 672 -21.160 14.855 5.185 738 HD21 LEU 672 HD21 LEU 672 -20.066 11.880 3.313 739 HD22 LEU 672 HD22 LEU 672 -20.129 13.490 2.595 740 HD23 LEU 672 HD23 LEU 672 -21.422 12.952 3.664 741 H1 GLY 519 H1 GLY 519 14.288 24.391 13.616 742 H2 GLY 519 H2 GLY 519 13.297 23.056 13.927 743 H3 GLY 519 H3 GLY 519 13.722 24.105 15.184 744 HA2 GLY 519 HA2 GLY 519 11.454 24.515 14.490 745 HA3 GLY 519 HA3 GLY 519 12.484 25.902 14.168 746 H SER 520 H SER 520 10.183 23.869 12.898 747 HA SER 520 HA SER 520 10.993 24.349 10.113 748 HB2 SER 520 HB2 SER 520 10.506 22.016 10.623 749 HB3 SER 520 HB3 SER 520 8.928 22.457 11.273 750 HG SER 520 HG SER 520 9.115 21.658 8.981 751 HA PRO 521 HA PRO 521 7.896 27.614 10.010 752 HB2 PRO 521 HB2 PRO 521 7.954 28.120 7.329 753 HB3 PRO 521 HB3 PRO 521 9.206 28.659 8.445 754 HG2 PRO 521 HG2 PRO 521 9.214 26.363 6.652 755 HG3 PRO 521 HG3 PRO 521 10.434 27.391 6.999 756 HD2 PRO 521 HD2 PRO 521 10.276 25.037 8.004 757 HD3 PRO 521 HD3 PRO 521 11.031 26.270 8.763 758 H GLY 522 H GLY 522 7.590 24.647 8.230 759 HA2 GLY 522 HA2 GLY 522 5.088 23.926 8.605 760 HA3 GLY 522 HA3 GLY 522 4.828 25.215 7.440 761 H TYR 523 H TYR 523 4.059 22.566 7.002 762 HA TYR 523 HA TYR 523 5.992 21.600 5.013 763 HB2 TYR 523 HB2 TYR 523 3.738 20.137 6.411 764 HB3 TYR 523 HB3 TYR 523 4.697 19.442 5.114 765 HD1 TYR 523 HD1 TYR 523 4.646 20.380 8.652 766 HD2 TYR 523 HD2 TYR 523 7.028 18.783 5.506 767 HE1 TYR 523 HE1 TYR 523 6.271 19.561 10.305 768 HE2 TYR 523 HE2 TYR 523 8.659 17.961 7.153 769 HH TYR 523 HH TYR 523 9.364 18.462 9.455 770 HA PRO 524 HA PRO 524 3.148 23.097 1.877 771 HB2 PRO 524 HB2 PRO 524 4.326 22.008 -0.318 772 HB3 PRO 524 HB3 PRO 524 4.959 23.434 0.515 773 HG2 PRO 524 HG2 PRO 524 5.859 20.649 0.721 774 HG3 PRO 524 HG3 PRO 524 6.765 22.007 0.681 775 HD2 PRO 524 HD2 PRO 524 6.270 20.740 2.890 776 HD3 PRO 524 HD3 PRO 524 6.558 22.347 2.857 777 H ASN 525 H ASN 525 1.352 22.402 0.819 778 HA ASN 525 HA ASN 525 0.775 19.516 0.931 779 HB2 ASN 525 HB2 ASN 525 -1.056 21.926 1.018 780 HB3 ASN 525 HB3 ASN 525 -1.641 20.276 0.863 781 HD21 ASN 525 HD21 ASN 525 -0.891 22.725 2.978 782 HD22 ASN 525 HD22 ASN 525 -0.849 21.818 4.447 783 H GLY 526 H GLY 526 0.254 18.419 -0.874 784 HA2 GLY 526 HA2 GLY 526 -0.969 18.617 -3.083 785 HA3 GLY 526 HA3 GLY 526 0.151 19.927 -3.410 786 H LEU 527 H LEU 527 0.535 16.666 -2.051 787 HA LEU 527 HA LEU 527 1.890 14.906 -2.508 788 HB2 LEU 527 HB2 LEU 527 0.649 14.897 -4.650 789 HB3 LEU 527 HB3 LEU 527 1.847 15.971 -5.332 790 HG LEU 527 HG LEU 527 3.072 13.543 -4.301 791 HD11 LEU 527 HD11 LEU 527 0.941 12.528 -4.853 792 HD12 LEU 527 HD12 LEU 527 2.159 12.051 -6.036 793 HD13 LEU 527 HD13 LEU 527 0.966 13.285 -6.445 794 HD21 LEU 527 HD21 LEU 527 2.946 14.743 -7.072 795 HD22 LEU 527 HD22 LEU 527 4.067 13.495 -6.527 796 HD23 LEU 527 HD23 LEU 527 4.159 15.122 -5.849 797 H LEU 528 H LEU 528 3.845 14.802 -1.711 798 HA LEU 528 HA LEU 528 5.972 16.461 -2.889 799 HB2 LEU 528 HB2 LEU 528 5.715 15.476 -0.039 800 HB3 LEU 528 HB3 LEU 528 7.107 16.324 -0.671 801 HG LEU 528 HG LEU 528 4.330 17.490 -0.401 802 HD11 LEU 528 HD11 LEU 528 5.336 17.186 1.780 803 HD12 LEU 528 HD12 LEU 528 5.335 18.898 1.353 804 HD13 LEU 528 HD13 LEU 528 6.823 17.958 1.230 805 HD21 LEU 528 HD21 LEU 528 6.929 18.755 -1.251 806 HD22 LEU 528 HD22 LEU 528 5.420 19.617 -0.954 807 HD23 LEU 528 HD23 LEU 528 5.525 18.453 -2.275 808 H SER 529 H SER 529 4.763 13.433 -2.722 809 HA SER 529 HA SER 529 7.113 12.148 -3.715 810 HB2 SER 529 HB2 SER 529 7.376 10.429 -1.975 811 HB3 SER 529 HB3 SER 529 7.668 12.035 -1.309 812 HG SER 529 HG SER 529 5.056 11.328 -1.109 813 H GLY 530 H GLY 530 3.896 11.715 -2.292 814 HA2 GLY 530 HA2 GLY 530 2.396 10.819 -4.250 815 HA3 GLY 530 HA3 GLY 530 3.393 9.392 -4.004 816 H ASP 531 H ASP 531 1.324 11.672 -2.221 817 HA ASP 531 HA ASP 531 0.324 9.407 -0.623 818 HB2 ASP 531 HB2 ASP 531 0.716 12.244 0.365 819 HB3 ASP 531 HB3 ASP 531 0.083 10.899 1.307 820 H GLU 532 H GLU 532 -0.422 11.610 -2.906 821 HA GLU 532 HA GLU 532 -3.144 12.120 -2.035 822 HB2 GLU 532 HB2 GLU 532 -1.397 13.306 -4.142 823 HB3 GLU 532 HB3 GLU 532 -3.122 13.596 -4.108 824 HG2 GLU 532 HG2 GLU 532 -2.609 14.249 -1.601 825 HG3 GLU 532 HG3 GLU 532 -1.011 14.527 -2.263 826 H ASP 533 H ASP 533 -1.570 9.837 -3.687 827 HA ASP 533 HA ASP 533 -3.455 9.470 -5.879 828 HB2 ASP 533 HB2 ASP 533 -0.868 8.114 -5.122 829 HB3 ASP 533 HB3 ASP 533 -1.902 7.495 -6.404 830 H PHE 534 H PHE 534 -2.891 8.250 -2.689 831 HA PHE 534 HA PHE 534 -4.441 5.826 -3.073 832 HB2 PHE 534 HB2 PHE 534 -3.218 7.065 -0.599 833 HB3 PHE 534 HB3 PHE 534 -4.152 5.578 -0.576 834 HD1 PHE 534 HD1 PHE 534 -0.945 7.093 -1.258 835 HD2 PHE 534 HD2 PHE 534 -3.263 3.544 -1.722 836 HE1 PHE 534 HE1 PHE 534 1.108 5.810 -1.689 837 HE2 PHE 534 HE2 PHE 534 -1.209 2.262 -2.153 838 HZ PHE 534 HZ PHE 534 0.978 3.394 -2.136 839 H SER 535 H SER 535 -5.083 9.064 -2.388 840 HA SER 535 HA SER 535 -7.421 8.665 -0.748 841 HB2 SER 535 HB2 SER 535 -7.696 11.108 -0.936 842 HB3 SER 535 HB3 SER 535 -6.059 10.678 -0.451 843 HG SER 535 HG SER 535 -6.805 11.204 -3.135 844 H SER 536 H SER 536 -6.723 8.968 -4.134 845 HA SER 536 HA SER 536 -9.500 9.434 -4.856 846 HB2 SER 536 HB2 SER 536 -8.625 9.492 -7.191 847 HB3 SER 536 HB3 SER 536 -7.837 10.652 -6.125 848 HG SER 536 HG SER 536 -6.010 9.650 -6.407 849 H ILE 537 H ILE 537 -7.060 6.865 -5.235 850 HA ILE 537 HA ILE 537 -8.924 5.222 -6.736 851 HB ILE 537 HB ILE 537 -6.138 4.419 -5.888 852 HG12 ILE 537 HG12 ILE 537 -6.857 5.804 -8.491 853 HG13 ILE 537 HG13 ILE 537 -6.092 6.605 -7.130 854 HG21 ILE 537 HG21 ILE 537 -7.890 3.463 -8.152 855 HG22 ILE 537 HG22 ILE 537 -7.457 2.566 -6.698 856 HG23 ILE 537 HG23 ILE 537 -6.218 2.965 -7.888 857 HD11 ILE 537 HD11 ILE 537 -4.482 6.053 -8.870 858 HD12 ILE 537 HD12 ILE 537 -4.912 4.346 -8.740 859 HD13 ILE 537 HD13 ILE 537 -4.133 5.164 -7.387 860 H ALA 538 H ALA 538 -7.368 5.148 -3.551 861 HA ALA 538 HA ALA 538 -8.343 2.513 -3.010 862 HB1 ALA 538 HB1 ALA 538 -7.261 2.732 -0.842 863 HB2 ALA 538 HB2 ALA 538 -6.985 4.445 -1.150 864 HB3 ALA 538 HB3 ALA 538 -6.179 3.229 -2.141 865 H ASP 539 H ASP 539 -9.673 5.524 -2.798 866 HA ASP 539 HA ASP 539 -11.675 4.705 -0.818 867 HB2 ASP 539 HB2 ASP 539 -11.014 7.397 -2.041 868 HB3 ASP 539 HB3 ASP 539 -12.451 7.133 -1.059 869 H MET 540 H MET 540 -11.117 4.899 -4.160 870 HA MET 540 HA MET 540 -13.925 4.727 -4.894 871 HB2 MET 540 HB2 MET 540 -11.362 4.841 -6.408 872 HB3 MET 540 HB3 MET 540 -12.794 4.172 -7.189 873 HG2 MET 540 HG2 MET 540 -14.002 6.225 -6.893 874 HG3 MET 540 HG3 MET 540 -12.704 6.900 -5.914 875 HE1 MET 540 HE1 MET 540 -12.431 6.129 -10.460 876 HE2 MET 540 HE2 MET 540 -13.919 5.976 -9.525 877 HE3 MET 540 HE3 MET 540 -12.596 4.840 -9.265 878 H ASP 541 H ASP 541 -11.223 2.673 -4.250 879 HA ASP 541 HA ASP 541 -12.410 0.333 -5.487 880 HB2 ASP 541 HB2 ASP 541 -9.753 1.033 -4.352 881 HB3 ASP 541 HB3 ASP 541 -10.221 -0.660 -4.336 882 H PHE 542 H PHE 542 -12.304 1.812 -2.363 883 HA PHE 542 HA PHE 542 -12.605 -0.568 -0.791 884 HB2 PHE 542 HB2 PHE 542 -11.679 1.573 0.090 885 HB3 PHE 542 HB3 PHE 542 -13.276 2.292 -0.058 886 HD1 PHE 542 HD1 PHE 542 -11.383 -0.389 1.678 887 HD2 PHE 542 HD2 PHE 542 -14.850 2.084 1.663 888 HE1 PHE 542 HE1 PHE 542 -11.944 -1.165 3.943 889 HE2 PHE 542 HE2 PHE 542 -15.413 1.313 3.930 890 HZ PHE 542 HZ PHE 542 -13.959 -0.313 5.073 891 H SER 543 H SER 543 -14.796 1.465 -2.555 892 HA SER 543 HA SER 543 -17.177 0.624 -1.159 893 HB2 SER 543 HB2 SER 543 -18.373 1.941 -2.853 894 HB3 SER 543 HB3 SER 543 -17.041 2.859 -2.155 895 HG SER 543 HG SER 543 -15.813 2.107 -4.053 896 H ALA 544 H ALA 544 -15.321 -0.506 -3.853 897 HA ALA 544 HA ALA 544 -17.446 -2.105 -4.999 898 HB1 ALA 544 HB1 ALA 544 -15.713 -1.085 -6.417 899 HB2 ALA 544 HB2 ALA 544 -15.786 -2.837 -6.599 900 HB3 ALA 544 HB3 ALA 544 -14.500 -2.103 -5.641 901 H LEU 545 H LEU 545 -14.973 -2.521 -2.613 902 HA LEU 545 HA LEU 545 -14.891 -5.398 -2.750 903 HB2 LEU 545 HB2 LEU 545 -13.743 -3.441 -0.770 904 HB3 LEU 545 HB3 LEU 545 -13.459 -5.160 -0.733 905 HG LEU 545 HG LEU 545 -12.720 -3.506 -3.128 906 HD11 LEU 545 HD11 LEU 545 -11.005 -4.143 -0.734 907 HD12 LEU 545 HD12 LEU 545 -11.508 -2.540 -1.278 908 HD13 LEU 545 HD13 LEU 545 -10.415 -3.504 -2.267 909 HD21 LEU 545 HD21 LEU 545 -12.848 -5.905 -3.502 910 HD22 LEU 545 HD22 LEU 545 -11.788 -6.193 -2.123 911 HD23 LEU 545 HD23 LEU 545 -11.169 -5.367 -3.551 912 H LEU 546 H LEU 546 -16.918 -3.095 -1.227 913 HA LEU 546 HA LEU 546 -17.772 -4.786 0.956 914 HB2 LEU 546 HB2 LEU 546 -18.824 -2.202 -0.176 915 HB3 LEU 546 HB3 LEU 546 -19.649 -3.052 1.107 916 HG LEU 546 HG LEU 546 -16.834 -1.976 1.284 917 HD11 LEU 546 HD11 LEU 546 -18.492 -0.182 1.099 918 HD12 LEU 546 HD12 LEU 546 -17.786 -0.245 2.713 919 HD13 LEU 546 HD13 LEU 546 -19.404 -0.888 2.434 920 HD21 LEU 546 HD21 LEU 546 -18.675 -3.134 3.373 921 HD22 LEU 546 HD22 LEU 546 -17.110 -2.387 3.695 922 HD23 LEU 546 HD23 LEU 546 -17.200 -3.874 2.754 923 H SER 547 H SER 547 -18.806 -4.031 -2.276 924 HA SER 547 HA SER 547 -21.295 -5.454 -2.172 925 HB2 SER 547 HB2 SER 547 -21.455 -4.996 -4.544 926 HB3 SER 547 HB3 SER 547 -20.868 -3.552 -3.724 927 HG SER 547 HG SER 547 -19.417 -3.695 -5.273 928 H GLN 548 H GLN 548 -18.055 -6.452 -2.490 929 HA GLN 548 HA GLN 548 -18.411 -8.653 -4.267 930 HB2 GLN 548 HB2 GLN 548 -16.179 -7.848 -2.436 931 HB3 GLN 548 HB3 GLN 548 -16.128 -9.352 -3.337 932 HG2 GLN 548 HG2 GLN 548 -16.345 -6.593 -4.536 933 HG3 GLN 548 HG3 GLN 548 -14.889 -7.564 -4.437 934 HE21 GLN 548 HE21 GLN 548 -15.785 -10.050 -5.246 935 HE22 GLN 548 HE22 GLN 548 -16.320 -9.965 -6.885 936 H ILE 549 H ILE 549 -19.229 -8.262 -1.041 937 HA ILE 549 HA ILE 549 -19.066 -11.143 -0.487 938 HB ILE 549 HB ILE 549 -19.434 -10.597 1.905 939 HG12 ILE 549 HG12 ILE 549 -18.939 -7.699 1.163 940 HG13 ILE 549 HG13 ILE 549 -20.536 -8.343 1.522 941 HG21 ILE 549 HG21 ILE 549 -17.178 -9.702 2.311 942 HG22 ILE 549 HG22 ILE 549 -17.060 -9.280 0.603 943 HG23 ILE 549 HG23 ILE 549 -17.202 -10.970 1.085 944 HD11 ILE 549 HD11 ILE 549 -18.193 -8.256 3.411 945 HD12 ILE 549 HD12 ILE 549 -19.784 -8.923 3.779 946 HD13 ILE 549 HD13 ILE 549 -19.606 -7.200 3.443 947 H SER 550 H SER 550 -21.272 -8.852 -1.479 948 HA SER 550 HA SER 550 -23.575 -10.177 -0.241 949 HB2 SER 550 HB2 SER 550 -24.882 -8.268 -1.176 950 HB3 SER 550 HB3 SER 550 -23.593 -7.753 -0.090 951 HG SER 550 HG SER 550 -22.429 -7.034 -1.795 952 H SER 551 H SER 551 -22.101 -9.536 -3.384 953 HA SER 551 HA SER 551 -24.079 -11.323 -4.637 954 HB2 SER 551 HB2 SER 551 -24.253 -9.092 -5.577 955 HB3 SER 551 HB3 SER 551 -22.518 -9.042 -5.878 956 HG SER 551 HG SER 551 -24.222 -10.985 -7.036 Start of MODEL 12 1 H1 GLY 586 H1 GLY 586 25.167 -6.350 -9.252 2 H2 GLY 586 H2 GLY 586 25.188 -6.497 -7.567 3 H3 GLY 586 H3 GLY 586 26.618 -6.684 -8.450 4 HA2 GLY 586 HA2 GLY 586 26.542 -4.372 -9.137 5 HA3 GLY 586 HA3 GLY 586 25.049 -4.173 -8.233 6 H VAL 587 H VAL 587 25.291 -3.221 -6.342 7 HA VAL 587 HA VAL 587 27.901 -3.174 -5.036 8 HB VAL 587 HB VAL 587 25.364 -1.692 -4.276 9 HG11 VAL 587 HG11 VAL 587 28.202 -1.331 -3.310 10 HG12 VAL 587 HG12 VAL 587 26.839 -1.924 -2.363 11 HG13 VAL 587 HG13 VAL 587 26.855 -0.255 -2.933 12 HG21 VAL 587 HG21 VAL 587 26.425 0.291 -5.251 13 HG22 VAL 587 HG22 VAL 587 26.185 -0.972 -6.460 14 HG23 VAL 587 HG23 VAL 587 27.787 -0.699 -5.777 15 H ARG 588 H ARG 588 28.330 -4.021 -3.027 16 HA ARG 588 HA ARG 588 26.546 -6.187 -2.213 17 HB2 ARG 588 HB2 ARG 588 28.909 -6.730 -2.681 18 HB3 ARG 588 HB3 ARG 588 29.412 -5.624 -1.409 19 HG2 ARG 588 HG2 ARG 588 28.260 -7.019 0.249 20 HG3 ARG 588 HG3 ARG 588 27.785 -8.133 -1.032 21 HD2 ARG 588 HD2 ARG 588 30.194 -8.491 -1.533 22 HD3 ARG 588 HD3 ARG 588 30.590 -7.492 -0.135 23 HE ARG 588 HE ARG 588 29.856 -9.195 1.276 24 HH11 ARG 588 HH11 ARG 588 29.385 -10.126 -2.080 25 HH12 ARG 588 HH12 ARG 588 29.088 -11.789 -1.694 26 HH21 ARG 588 HH21 ARG 588 29.461 -11.372 1.755 27 HH22 ARG 588 HH22 ARG 588 29.133 -12.492 0.477 28 H LYS 589 H LYS 589 25.308 -6.063 -0.484 29 HA LYS 589 HA LYS 589 26.000 -4.281 1.735 30 HB2 LYS 589 HB2 LYS 589 23.362 -4.212 0.250 31 HB3 LYS 589 HB3 LYS 589 23.669 -3.392 1.770 32 HG2 LYS 589 HG2 LYS 589 25.405 -2.032 0.655 33 HG3 LYS 589 HG3 LYS 589 25.023 -2.829 -0.867 34 HD2 LYS 589 HD2 LYS 589 22.726 -1.946 -0.724 35 HD3 LYS 589 HD3 LYS 589 23.147 -1.121 0.776 36 HE2 LYS 589 HE2 LYS 589 24.864 0.163 -0.439 37 HE3 LYS 589 HE3 LYS 589 24.394 -0.641 -1.934 38 HZ1 LYS 589 HZ1 LYS 589 22.639 1.104 -0.285 39 HZ2 LYS 589 HZ2 LYS 589 22.196 0.347 -1.732 40 HZ3 LYS 589 HZ3 LYS 589 23.385 1.550 -1.738 41 H GLY 590 H GLY 590 24.784 -4.676 3.679 42 HA2 GLY 590 HA2 GLY 590 24.401 -7.498 4.128 43 HA3 GLY 590 HA3 GLY 590 24.346 -6.229 5.337 44 H TRP 591 H TRP 591 22.280 -4.812 3.547 45 HA TRP 591 HA TRP 591 19.946 -6.135 4.673 46 HB2 TRP 591 HB2 TRP 591 18.717 -4.191 4.092 47 HB3 TRP 591 HB3 TRP 591 20.253 -3.628 4.717 48 HD1 TRP 591 HD1 TRP 591 22.093 -3.007 2.562 49 HE1 TRP 591 HE1 TRP 591 21.550 -1.655 0.432 50 HE3 TRP 591 HE3 TRP 591 16.998 -3.500 2.556 51 HZ2 TRP 591 HZ2 TRP 591 19.255 -0.883 -1.035 52 HZ3 TRP 591 HZ3 TRP 591 15.709 -2.418 0.765 53 HH2 TRP 591 HH2 TRP 591 16.817 -1.139 -0.993 54 H HIS 592 H HIS 592 21.359 -5.559 1.513 55 HA HIS 592 HA HIS 592 19.198 -6.416 -0.094 56 HB2 HIS 592 HB2 HIS 592 20.768 -5.197 -1.287 57 HB3 HIS 592 HB3 HIS 592 22.131 -5.956 -0.483 58 HD1 HIS 592 HD1 HIS 592 19.739 -6.446 -3.336 59 HD2 HIS 592 HD2 HIS 592 23.190 -8.178 -1.798 60 HE1 HIS 592 HE1 HIS 592 20.538 -8.046 -5.106 61 HE2 HIS 592 HE2 HIS 592 22.668 -9.023 -4.185 62 H GLU 593 H GLU 593 21.862 -8.174 1.429 63 HA GLU 593 HA GLU 593 21.151 -10.691 0.176 64 HB2 GLU 593 HB2 GLU 593 23.202 -10.034 2.283 65 HB3 GLU 593 HB3 GLU 593 22.987 -11.625 1.569 66 HG2 GLU 593 HG2 GLU 593 23.524 -10.685 -0.635 67 HG3 GLU 593 HG3 GLU 593 23.780 -9.115 0.120 68 H HIS 594 H HIS 594 20.345 -8.955 3.006 69 HA HIS 594 HA HIS 594 19.382 -11.260 4.491 70 HB2 HIS 594 HB2 HIS 594 19.927 -8.408 5.030 71 HB3 HIS 594 HB3 HIS 594 18.526 -9.045 5.868 72 HD1 HIS 594 HD1 HIS 594 22.264 -9.297 5.760 73 HD2 HIS 594 HD2 HIS 594 19.061 -10.826 7.925 74 HE1 HIS 594 HE1 HIS 594 23.285 -10.374 7.793 75 HE2 HIS 594 HE2 HIS 594 21.337 -11.366 9.050 76 H VAL 595 H VAL 595 18.130 -8.791 2.360 77 HA VAL 595 HA VAL 595 15.370 -9.331 3.057 78 HB VAL 595 HB VAL 595 16.653 -7.451 1.058 79 HG11 VAL 595 HG11 VAL 595 13.679 -7.922 1.353 80 HG12 VAL 595 HG12 VAL 595 14.651 -8.293 -0.070 81 HG13 VAL 595 HG13 VAL 595 14.426 -6.619 0.433 82 HG21 VAL 595 HG21 VAL 595 15.612 -5.726 2.387 83 HG22 VAL 595 HG22 VAL 595 16.549 -6.791 3.437 84 HG23 VAL 595 HG23 VAL 595 14.785 -6.938 3.369 85 H THR 596 H THR 596 14.011 -10.669 1.981 86 HA THR 596 HA THR 596 15.156 -12.261 -0.218 87 HB THR 596 HB THR 596 13.649 -14.048 0.388 88 HG1 THR 596 HG1 THR 596 12.638 -12.147 2.230 89 HG21 THR 596 HG21 THR 596 15.061 -12.995 2.835 90 HG22 THR 596 HG22 THR 596 15.788 -13.978 1.565 91 HG23 THR 596 HG23 THR 596 14.518 -14.653 2.584 92 H GLN 597 H GLN 597 13.221 -13.436 -1.431 93 HA GLN 597 HA GLN 597 11.543 -11.453 -2.646 94 HB2 GLN 597 HB2 GLN 597 11.848 -14.422 -3.049 95 HB3 GLN 597 HB3 GLN 597 10.590 -13.507 -3.864 96 HG2 GLN 597 HG2 GLN 597 12.223 -12.147 -4.954 97 HG3 GLN 597 HG3 GLN 597 13.542 -12.925 -4.084 98 HE21 GLN 597 HE21 GLN 597 11.159 -15.108 -4.831 99 HE22 GLN 597 HE22 GLN 597 11.826 -15.772 -6.288 100 H ASP 598 H ASP 598 11.349 -13.582 0.016 101 HA ASP 598 HA ASP 598 8.467 -13.791 0.096 102 HB2 ASP 598 HB2 ASP 598 10.658 -14.621 2.004 103 HB3 ASP 598 HB3 ASP 598 8.950 -14.827 2.365 104 H LEU 599 H LEU 599 10.948 -11.694 1.497 105 HA LEU 599 HA LEU 599 9.286 -10.395 3.380 106 HB2 LEU 599 HB2 LEU 599 11.751 -10.133 3.338 107 HB3 LEU 599 HB3 LEU 599 11.628 -9.206 1.864 108 HG LEU 599 HG LEU 599 10.399 -7.433 3.113 109 HD11 LEU 599 HD11 LEU 599 11.144 -9.000 5.571 110 HD12 LEU 599 HD12 LEU 599 9.552 -9.057 4.829 111 HD13 LEU 599 HD13 LEU 599 10.158 -7.537 5.472 112 HD21 LEU 599 HD21 LEU 599 12.799 -7.130 2.925 113 HD22 LEU 599 HD22 LEU 599 13.066 -8.216 4.288 114 HD23 LEU 599 HD23 LEU 599 12.274 -6.665 4.542 115 H ARG 600 H ARG 600 10.024 -9.582 -0.017 116 HA ARG 600 HA ARG 600 8.649 -7.156 -0.103 117 HB2 ARG 600 HB2 ARG 600 9.220 -9.087 -2.366 118 HB3 ARG 600 HB3 ARG 600 8.658 -7.439 -2.585 119 HG2 ARG 600 HG2 ARG 600 10.697 -6.550 -1.710 120 HG3 ARG 600 HG3 ARG 600 11.250 -8.152 -1.225 121 HD2 ARG 600 HD2 ARG 600 12.388 -7.556 -3.245 122 HD3 ARG 600 HD3 ARG 600 11.222 -8.818 -3.628 123 HE ARG 600 HE ARG 600 9.912 -6.458 -4.131 124 HH11 ARG 600 HH11 ARG 600 12.869 -7.929 -5.335 125 HH12 ARG 600 HH12 ARG 600 12.745 -7.174 -6.888 126 HH21 ARG 600 HH21 ARG 600 9.770 -5.490 -6.175 127 HH22 ARG 600 HH22 ARG 600 10.992 -5.798 -7.363 128 H SER 601 H SER 601 7.382 -10.372 -0.198 129 HA SER 601 HA SER 601 4.781 -9.602 -1.221 130 HB2 SER 601 HB2 SER 601 4.182 -11.962 -0.825 131 HB3 SER 601 HB3 SER 601 5.713 -11.846 -1.687 132 HG SER 601 HG SER 601 5.816 -11.949 1.096 133 H HIS 602 H HIS 602 6.295 -10.184 1.910 134 HA HIS 602 HA HIS 602 3.843 -10.049 3.430 135 HB2 HIS 602 HB2 HIS 602 6.767 -10.029 4.225 136 HB3 HIS 602 HB3 HIS 602 5.453 -9.957 5.391 137 HD1 HIS 602 HD1 HIS 602 7.372 -12.278 5.585 138 HD2 HIS 602 HD2 HIS 602 3.915 -12.392 3.278 139 HE1 HIS 602 HE1 HIS 602 6.821 -14.716 5.317 140 HE2 HIS 602 HE2 HIS 602 4.726 -14.763 3.921 141 H LEU 603 H LEU 603 6.211 -7.845 2.252 142 HA LEU 603 HA LEU 603 5.570 -5.547 3.838 143 HB2 LEU 603 HB2 LEU 603 7.075 -6.153 1.327 144 HB3 LEU 603 HB3 LEU 603 6.622 -4.493 1.607 145 HG LEU 603 HG LEU 603 8.854 -6.015 2.665 146 HD11 LEU 603 HD11 LEU 603 9.676 -3.786 3.306 147 HD12 LEU 603 HD12 LEU 603 8.145 -3.107 2.730 148 HD13 LEU 603 HD13 LEU 603 9.222 -3.943 1.606 149 HD21 LEU 603 HD21 LEU 603 7.115 -4.695 4.725 150 HD22 LEU 603 HD22 LEU 603 8.844 -4.938 4.934 151 HD23 LEU 603 HD23 LEU 603 7.782 -6.332 4.728 152 H VAL 604 H VAL 604 4.415 -6.960 0.855 153 HA VAL 604 HA VAL 604 2.602 -4.822 0.180 154 HB VAL 604 HB VAL 604 3.243 -7.537 -0.984 155 HG11 VAL 604 HG11 VAL 604 1.172 -7.607 -1.851 156 HG12 VAL 604 HG12 VAL 604 1.772 -6.355 -2.943 157 HG13 VAL 604 HG13 VAL 604 0.863 -5.914 -1.498 158 HG21 VAL 604 HG21 VAL 604 3.477 -4.815 -2.229 159 HG22 VAL 604 HG22 VAL 604 4.234 -6.330 -2.742 160 HG23 VAL 604 HG23 VAL 604 4.757 -5.541 -1.248 161 H HIS 605 H HIS 605 2.470 -8.005 1.719 162 HA HIS 605 HA HIS 605 -0.376 -8.137 1.956 163 HB2 HIS 605 HB2 HIS 605 1.171 -10.120 2.058 164 HB3 HIS 605 HB3 HIS 605 1.695 -9.565 3.640 165 HD1 HIS 605 HD1 HIS 605 -1.492 -10.698 1.914 166 HD2 HIS 605 HD2 HIS 605 0.193 -10.514 5.710 167 HE1 HIS 605 HE1 HIS 605 -3.113 -11.885 3.427 168 HE2 HIS 605 HE2 HIS 605 -2.067 -11.776 5.717 169 H LYS 606 H LYS 606 2.077 -6.434 3.593 170 HA LYS 606 HA LYS 606 0.565 -5.905 6.027 171 HB2 LYS 606 HB2 LYS 606 3.263 -5.211 4.932 172 HB3 LYS 606 HB3 LYS 606 2.584 -4.174 6.171 173 HG2 LYS 606 HG2 LYS 606 2.420 -6.110 7.684 174 HG3 LYS 606 HG3 LYS 606 3.138 -7.125 6.432 175 HD2 LYS 606 HD2 LYS 606 5.162 -5.843 6.455 176 HD3 LYS 606 HD3 LYS 606 4.473 -4.712 7.631 177 HE2 LYS 606 HE2 LYS 606 4.300 -6.498 9.278 178 HE3 LYS 606 HE3 LYS 606 4.913 -7.648 8.107 179 HZ1 LYS 606 HZ1 LYS 606 7.009 -6.460 8.058 180 HZ2 LYS 606 HZ2 LYS 606 6.641 -6.947 9.636 181 HZ3 LYS 606 HZ3 LYS 606 6.420 -5.334 9.177 182 H LEU 607 H LEU 607 1.007 -4.692 2.879 183 HA LEU 607 HA LEU 607 0.142 -1.976 3.359 184 HB2 LEU 607 HB2 LEU 607 1.903 -2.682 1.751 185 HB3 LEU 607 HB3 LEU 607 0.663 -3.440 0.772 186 HG LEU 607 HG LEU 607 -0.182 -1.402 0.023 187 HD11 LEU 607 HD11 LEU 607 1.193 0.040 2.264 188 HD12 LEU 607 HD12 LEU 607 -0.462 -0.558 2.369 189 HD13 LEU 607 HD13 LEU 607 -0.036 0.663 1.167 190 HD21 LEU 607 HD21 LEU 607 1.684 0.046 -0.597 191 HD22 LEU 607 HD22 LEU 607 2.121 -1.652 -0.806 192 HD23 LEU 607 HD23 LEU 607 2.713 -0.750 0.592 193 H VAL 608 H VAL 608 -1.121 -4.960 1.962 194 HA VAL 608 HA VAL 608 -3.557 -3.891 0.917 195 HB VAL 608 HB VAL 608 -2.606 -6.715 1.483 196 HG11 VAL 608 HG11 VAL 608 -5.243 -5.923 0.253 197 HG12 VAL 608 HG12 VAL 608 -5.013 -6.781 1.773 198 HG13 VAL 608 HG13 VAL 608 -4.567 -7.549 0.250 199 HG21 VAL 608 HG21 VAL 608 -3.153 -5.234 -1.096 200 HG22 VAL 608 HG22 VAL 608 -2.586 -6.899 -0.962 201 HG23 VAL 608 HG23 VAL 608 -1.565 -5.573 -0.407 202 H GLN 609 H GLN 609 -2.594 -4.976 4.110 203 HA GLN 609 HA GLN 609 -5.258 -5.371 5.121 204 HB2 GLN 609 HB2 GLN 609 -2.539 -5.208 6.422 205 HB3 GLN 609 HB3 GLN 609 -4.013 -5.393 7.340 206 HG2 GLN 609 HG2 GLN 609 -4.480 -7.486 6.227 207 HG3 GLN 609 HG3 GLN 609 -3.032 -7.310 5.242 208 HE21 GLN 609 HE21 GLN 609 -2.116 -6.136 8.145 209 HE22 GLN 609 HE22 GLN 609 -1.505 -7.575 8.880 210 H ALA 610 H ALA 610 -2.792 -2.885 5.180 211 HA ALA 610 HA ALA 610 -4.146 -1.026 6.854 212 HB1 ALA 610 HB1 ALA 610 -2.041 -0.530 4.759 213 HB2 ALA 610 HB2 ALA 610 -1.738 -0.967 6.440 214 HB3 ALA 610 HB3 ALA 610 -2.502 0.578 6.054 215 H ILE 611 H ILE 611 -4.519 -1.863 3.515 216 HA ILE 611 HA ILE 611 -6.052 0.565 2.938 217 HB ILE 611 HB ILE 611 -5.006 -1.623 1.114 218 HG12 ILE 611 HG12 ILE 611 -4.534 1.347 0.981 219 HG13 ILE 611 HG13 ILE 611 -3.529 0.296 1.957 220 HG21 ILE 611 HG21 ILE 611 -7.231 -0.977 0.309 221 HG22 ILE 611 HG22 ILE 611 -5.970 -0.388 -0.774 222 HG23 ILE 611 HG23 ILE 611 -6.752 0.719 0.352 223 HD11 ILE 611 HD11 ILE 611 -2.426 0.731 -0.121 224 HD12 ILE 611 HD12 ILE 611 -3.856 0.252 -1.028 225 HD13 ILE 611 HD13 ILE 611 -2.949 -0.953 -0.116 226 H PHE 612 H PHE 612 -6.515 -2.982 2.426 227 HA PHE 612 HA PHE 612 -9.214 -2.739 3.496 228 HB2 PHE 612 HB2 PHE 612 -9.258 -2.483 0.965 229 HB3 PHE 612 HB3 PHE 612 -8.695 -4.145 0.867 230 HD1 PHE 612 HD1 PHE 612 -11.467 -1.999 1.971 231 HD2 PHE 612 HD2 PHE 612 -10.166 -5.951 1.130 232 HE1 PHE 612 HE1 PHE 612 -13.800 -2.792 2.136 233 HE2 PHE 612 HE2 PHE 612 -12.486 -6.759 1.284 234 HZ PHE 612 HZ PHE 612 -14.309 -5.177 1.787 235 HA PRO 613 HA PRO 613 -7.501 -6.704 5.103 236 HB2 PRO 613 HB2 PRO 613 -8.859 -6.746 7.443 237 HB3 PRO 613 HB3 PRO 613 -7.366 -5.838 7.239 238 HG2 PRO 613 HG2 PRO 613 -10.103 -4.856 7.320 239 HG3 PRO 613 HG3 PRO 613 -8.741 -4.134 7.860 240 HD2 PRO 613 HD2 PRO 613 -9.890 -3.527 5.486 241 HD3 PRO 613 HD3 PRO 613 -8.334 -3.176 5.839 242 H THR 614 H THR 614 -8.345 -8.662 4.627 243 HA THR 614 HA THR 614 -11.194 -9.105 4.883 244 HB THR 614 HB THR 614 -9.854 -9.776 2.283 245 HG1 THR 614 HG1 THR 614 -11.698 -8.041 1.792 246 HG21 THR 614 HG21 THR 614 -11.720 -11.260 2.869 247 HG22 THR 614 HG22 THR 614 -12.113 -10.247 1.478 248 HG23 THR 614 HG23 THR 614 -12.763 -9.852 3.070 249 HA PRO 615 HA PRO 615 -9.880 -13.049 6.715 250 HB2 PRO 615 HB2 PRO 615 -12.708 -13.520 5.912 251 HB3 PRO 615 HB3 PRO 615 -11.894 -13.950 7.403 252 HG2 PRO 615 HG2 PRO 615 -13.421 -11.863 7.359 253 HG3 PRO 615 HG3 PRO 615 -11.994 -11.767 8.148 254 HD2 PRO 615 HD2 PRO 615 -12.681 -10.623 5.629 255 HD3 PRO 615 HD3 PRO 615 -11.688 -10.010 6.772 256 H ASP 616 H ASP 616 -12.079 -13.063 3.936 257 HA ASP 616 HA ASP 616 -11.188 -15.647 3.026 258 HB2 ASP 616 HB2 ASP 616 -13.572 -14.790 2.899 259 HB3 ASP 616 HB3 ASP 616 -13.044 -13.764 1.570 260 HA PRO 617 HA PRO 617 -7.962 -14.087 0.198 261 HB2 PRO 617 HB2 PRO 617 -8.057 -16.938 -0.647 262 HB3 PRO 617 HB3 PRO 617 -6.669 -15.948 -0.192 263 HG2 PRO 617 HG2 PRO 617 -7.556 -17.710 1.486 264 HG3 PRO 617 HG3 PRO 617 -7.135 -16.239 2.055 265 HD2 PRO 617 HD2 PRO 617 -9.811 -17.201 1.534 266 HD3 PRO 617 HD3 PRO 617 -9.293 -16.402 2.861 267 H ALA 618 H ALA 618 -11.031 -15.429 -0.494 268 HA ALA 618 HA ALA 618 -10.854 -15.671 -3.331 269 HB1 ALA 618 HB1 ALA 618 -13.269 -15.940 -3.268 270 HB2 ALA 618 HB2 ALA 618 -13.303 -15.375 -1.597 271 HB3 ALA 618 HB3 ALA 618 -12.504 -16.896 -1.997 272 H ALA 619 H ALA 619 -11.646 -13.031 -1.169 273 HA ALA 619 HA ALA 619 -12.567 -11.279 -3.296 274 HB1 ALA 619 HB1 ALA 619 -13.529 -11.137 -1.028 275 HB2 ALA 619 HB2 ALA 619 -12.814 -9.612 -1.556 276 HB3 ALA 619 HB3 ALA 619 -11.950 -10.640 -0.415 277 H LEU 620 H LEU 620 -9.594 -12.233 -1.993 278 HA LEU 620 HA LEU 620 -8.230 -9.725 -2.474 279 HB2 LEU 620 HB2 LEU 620 -7.351 -12.370 -1.300 280 HB3 LEU 620 HB3 LEU 620 -6.288 -11.005 -1.483 281 HG LEU 620 HG LEU 620 -8.668 -11.196 0.371 282 HD11 LEU 620 HD11 LEU 620 -5.715 -11.116 0.915 283 HD12 LEU 620 HD12 LEU 620 -6.789 -12.499 1.114 284 HD13 LEU 620 HD13 LEU 620 -6.982 -11.077 2.144 285 HD21 LEU 620 HD21 LEU 620 -8.053 -9.025 1.246 286 HD22 LEU 620 HD22 LEU 620 -8.403 -8.899 -0.479 287 HD23 LEU 620 HD23 LEU 620 -6.732 -8.898 0.084 288 H LYS 621 H LYS 621 -8.824 -12.736 -4.037 289 HA LYS 621 HA LYS 621 -6.610 -12.360 -5.941 290 HB2 LYS 621 HB2 LYS 621 -8.322 -14.761 -5.315 291 HB3 LYS 621 HB3 LYS 621 -7.158 -14.710 -6.629 292 HG2 LYS 621 HG2 LYS 621 -5.364 -14.320 -5.006 293 HG3 LYS 621 HG3 LYS 621 -6.525 -14.396 -3.693 294 HD2 LYS 621 HD2 LYS 621 -7.007 -16.737 -4.256 295 HD3 LYS 621 HD3 LYS 621 -5.885 -16.646 -5.609 296 HE2 LYS 621 HE2 LYS 621 -5.190 -16.407 -2.693 297 HE3 LYS 621 HE3 LYS 621 -4.851 -17.764 -3.757 298 HZ1 LYS 621 HZ1 LYS 621 -3.728 -15.028 -4.028 299 HZ2 LYS 621 HZ2 LYS 621 -3.405 -16.323 -5.068 300 HZ3 LYS 621 HZ3 LYS 621 -2.895 -16.387 -3.458 301 H ASP 622 H ASP 622 -9.402 -11.038 -5.764 302 HA ASP 622 HA ASP 622 -10.785 -11.996 -8.117 303 HB2 ASP 622 HB2 ASP 622 -11.808 -11.124 -5.893 304 HB3 ASP 622 HB3 ASP 622 -11.519 -9.523 -6.565 305 H ARG 623 H ARG 623 -11.609 -10.312 -9.730 306 HA ARG 623 HA ARG 623 -9.434 -9.275 -11.176 307 HB2 ARG 623 HB2 ARG 623 -12.424 -8.958 -11.413 308 HB3 ARG 623 HB3 ARG 623 -11.333 -8.168 -12.535 309 HG2 ARG 623 HG2 ARG 623 -10.415 -10.476 -13.059 310 HG3 ARG 623 HG3 ARG 623 -11.771 -11.113 -12.130 311 HD2 ARG 623 HD2 ARG 623 -12.133 -9.227 -14.447 312 HD3 ARG 623 HD3 ARG 623 -12.064 -10.976 -14.660 313 HE ARG 623 HE ARG 623 -14.235 -9.428 -13.533 314 HH11 ARG 623 HH11 ARG 623 -12.859 -12.644 -13.875 315 HH12 ARG 623 HH12 ARG 623 -14.360 -13.444 -13.547 316 HH21 ARG 623 HH21 ARG 623 -16.183 -10.498 -13.106 317 HH22 ARG 623 HH22 ARG 623 -16.238 -12.228 -13.112 318 H ARG 624 H ARG 624 -12.018 -7.503 -9.456 319 HA ARG 624 HA ARG 624 -11.055 -4.909 -10.022 320 HB2 ARG 624 HB2 ARG 624 -13.258 -6.116 -8.621 321 HB3 ARG 624 HB3 ARG 624 -12.599 -4.798 -7.662 322 HG2 ARG 624 HG2 ARG 624 -13.132 -4.303 -10.546 323 HG3 ARG 624 HG3 ARG 624 -14.504 -4.402 -9.439 324 HD2 ARG 624 HD2 ARG 624 -13.586 -2.636 -8.070 325 HD3 ARG 624 HD3 ARG 624 -12.119 -2.596 -9.045 326 HE ARG 624 HE ARG 624 -14.424 -2.114 -10.638 327 HH11 ARG 624 HH11 ARG 624 -12.305 -0.507 -8.342 328 HH12 ARG 624 HH12 ARG 624 -12.618 1.071 -8.986 329 HH21 ARG 624 HH21 ARG 624 -14.822 -0.040 -11.457 330 HH22 ARG 624 HH22 ARG 624 -14.042 1.333 -10.745 331 H MET 625 H MET 625 -10.066 -7.193 -7.635 332 HA MET 625 HA MET 625 -9.020 -5.198 -5.790 333 HB2 MET 625 HB2 MET 625 -10.061 -7.247 -4.916 334 HB3 MET 625 HB3 MET 625 -8.850 -8.216 -5.748 335 HG2 MET 625 HG2 MET 625 -8.258 -8.064 -3.445 336 HG3 MET 625 HG3 MET 625 -7.101 -7.116 -4.363 337 HE1 MET 625 HE1 MET 625 -10.262 -7.183 -2.310 338 HE2 MET 625 HE2 MET 625 -10.146 -5.750 -1.288 339 HE3 MET 625 HE3 MET 625 -9.008 -7.086 -1.069 340 H GLU 626 H GLU 626 -7.806 -7.604 -8.079 341 HA GLU 626 HA GLU 626 -5.113 -7.601 -7.502 342 HB2 GLU 626 HB2 GLU 626 -6.682 -8.147 -9.977 343 HB3 GLU 626 HB3 GLU 626 -4.931 -8.068 -10.095 344 HG2 GLU 626 HG2 GLU 626 -6.293 -9.823 -8.076 345 HG3 GLU 626 HG3 GLU 626 -6.015 -10.359 -9.733 346 H ASN 627 H ASN 627 -6.917 -5.030 -8.963 347 HA ASN 627 HA ASN 627 -4.803 -3.700 -10.323 348 HB2 ASN 627 HB2 ASN 627 -7.446 -2.695 -9.247 349 HB3 ASN 627 HB3 ASN 627 -6.316 -1.667 -10.117 350 HD21 ASN 627 HD21 ASN 627 -8.948 -2.207 -10.933 351 HD22 ASN 627 HD22 ASN 627 -8.880 -3.059 -12.434 352 H LEU 628 H LEU 628 -5.987 -3.563 -6.994 353 HA LEU 628 HA LEU 628 -4.146 -1.431 -6.342 354 HB2 LEU 628 HB2 LEU 628 -6.372 -2.750 -4.837 355 HB3 LEU 628 HB3 LEU 628 -5.160 -1.867 -3.953 356 HG LEU 628 HG LEU 628 -7.177 -0.757 -5.918 357 HD11 LEU 628 HD11 LEU 628 -6.642 -0.153 -3.012 358 HD12 LEU 628 HD12 LEU 628 -8.004 -1.084 -3.632 359 HD13 LEU 628 HD13 LEU 628 -7.856 0.631 -4.026 360 HD21 LEU 628 HD21 LEU 628 -5.115 0.366 -6.368 361 HD22 LEU 628 HD22 LEU 628 -4.799 0.563 -4.639 362 HD23 LEU 628 HD23 LEU 628 -6.135 1.440 -5.400 363 H VAL 629 H VAL 629 -4.469 -4.892 -5.803 364 HA VAL 629 HA VAL 629 -2.287 -5.386 -4.119 365 HB VAL 629 HB VAL 629 -3.327 -7.030 -6.451 366 HG11 VAL 629 HG11 VAL 629 -1.033 -7.719 -5.874 367 HG12 VAL 629 HG12 VAL 629 -2.230 -8.971 -5.524 368 HG13 VAL 629 HG13 VAL 629 -1.558 -8.004 -4.209 369 HG21 VAL 629 HG21 VAL 629 -5.024 -6.666 -4.755 370 HG22 VAL 629 HG22 VAL 629 -3.903 -7.193 -3.496 371 HG23 VAL 629 HG23 VAL 629 -4.474 -8.345 -4.701 372 H ALA 630 H ALA 630 -2.441 -4.780 -7.575 373 HA ALA 630 HA ALA 630 0.376 -5.074 -8.047 374 HB1 ALA 630 HB1 ALA 630 -1.225 -5.637 -9.763 375 HB2 ALA 630 HB2 ALA 630 -0.203 -4.306 -10.316 376 HB3 ALA 630 HB3 ALA 630 -1.850 -3.988 -9.759 377 H TYR 631 H TYR 631 -1.729 -2.582 -7.010 378 HA TYR 631 HA TYR 631 -0.108 -0.316 -7.669 379 HB2 TYR 631 HB2 TYR 631 -2.554 -0.184 -7.295 380 HB3 TYR 631 HB3 TYR 631 -2.315 -0.667 -5.627 381 HD1 TYR 631 HD1 TYR 631 -0.841 1.935 -7.865 382 HD2 TYR 631 HD2 TYR 631 -2.747 1.087 -4.137 383 HE1 TYR 631 HE1 TYR 631 -0.683 4.308 -7.237 384 HE2 TYR 631 HE2 TYR 631 -2.605 3.456 -3.514 385 HH TYR 631 HH TYR 631 -1.730 5.908 -5.898 386 H ALA 632 H ALA 632 -0.461 -2.455 -4.885 387 HA ALA 632 HA ALA 632 1.506 -1.034 -3.305 388 HB1 ALA 632 HB1 ALA 632 -0.133 -1.991 -1.974 389 HB2 ALA 632 HB2 ALA 632 1.239 -3.092 -1.806 390 HB3 ALA 632 HB3 ALA 632 -0.111 -3.510 -2.870 391 H LYS 633 H LYS 633 1.332 -3.906 -5.325 392 HA LYS 633 HA LYS 633 3.931 -4.931 -4.926 393 HB2 LYS 633 HB2 LYS 633 1.911 -5.048 -7.149 394 HB3 LYS 633 HB3 LYS 633 3.507 -5.735 -7.386 395 HG2 LYS 633 HG2 LYS 633 3.152 -7.346 -5.664 396 HG3 LYS 633 HG3 LYS 633 1.678 -6.543 -5.143 397 HD2 LYS 633 HD2 LYS 633 0.462 -7.288 -6.962 398 HD3 LYS 633 HD3 LYS 633 1.904 -7.573 -7.928 399 HE2 LYS 633 HE2 LYS 633 2.444 -9.529 -6.680 400 HE3 LYS 633 HE3 LYS 633 1.223 -9.160 -5.462 401 HZ1 LYS 633 HZ1 LYS 633 0.470 -10.892 -6.958 402 HZ2 LYS 633 HZ2 LYS 633 0.690 -9.880 -8.294 403 HZ3 LYS 633 HZ3 LYS 633 -0.490 -9.512 -7.139 404 H LYS 634 H LYS 634 2.741 -2.146 -6.497 405 HA LYS 634 HA LYS 634 4.913 -1.548 -8.265 406 HB2 LYS 634 HB2 LYS 634 2.632 -0.722 -8.598 407 HB3 LYS 634 HB3 LYS 634 2.739 0.185 -7.102 408 HG2 LYS 634 HG2 LYS 634 4.560 1.540 -8.091 409 HG3 LYS 634 HG3 LYS 634 4.355 0.635 -9.569 410 HD2 LYS 634 HD2 LYS 634 2.010 1.463 -9.709 411 HD3 LYS 634 HD3 LYS 634 2.353 2.497 -8.321 412 HE2 LYS 634 HE2 LYS 634 3.917 2.584 -10.897 413 HE3 LYS 634 HE3 LYS 634 2.531 3.618 -10.567 414 HZ1 LYS 634 HZ1 LYS 634 4.602 4.743 -10.063 415 HZ2 LYS 634 HZ2 LYS 634 5.039 3.520 -8.979 416 HZ3 LYS 634 HZ3 LYS 634 3.706 4.508 -8.646 417 H VAL 635 H VAL 635 3.878 -0.354 -5.069 418 HA VAL 635 HA VAL 635 5.893 1.680 -5.043 419 HB VAL 635 HB VAL 635 4.964 2.237 -2.773 420 HG11 VAL 635 HG11 VAL 635 2.648 2.853 -3.739 421 HG12 VAL 635 HG12 VAL 635 3.277 2.169 -5.247 422 HG13 VAL 635 HG13 VAL 635 4.101 3.527 -4.477 423 HG21 VAL 635 HG21 VAL 635 4.116 0.152 -1.979 424 HG22 VAL 635 HG22 VAL 635 3.068 -0.035 -3.381 425 HG23 VAL 635 HG23 VAL 635 2.736 1.229 -2.196 426 H GLU 636 H GLU 636 5.692 -1.532 -3.795 427 HA GLU 636 HA GLU 636 7.628 -1.358 -1.699 428 HB2 GLU 636 HB2 GLU 636 7.597 -3.794 -1.775 429 HB3 GLU 636 HB3 GLU 636 5.958 -3.185 -1.912 430 HG2 GLU 636 HG2 GLU 636 5.905 -4.818 -3.491 431 HG3 GLU 636 HG3 GLU 636 6.410 -3.460 -4.483 432 H GLY 637 H GLY 637 7.813 -1.960 -5.185 433 HA2 GLY 637 HA2 GLY 637 10.583 -2.798 -5.136 434 HA3 GLY 637 HA3 GLY 637 9.584 -2.571 -6.561 435 H ASP 638 H ASP 638 8.912 0.213 -5.479 436 HA ASP 638 HA ASP 638 11.122 1.605 -6.718 437 HB2 ASP 638 HB2 ASP 638 8.462 2.489 -5.616 438 HB3 ASP 638 HB3 ASP 638 9.687 3.658 -6.100 439 H MET 639 H MET 639 10.213 0.745 -3.525 440 HA MET 639 HA MET 639 11.522 2.858 -2.112 441 HB2 MET 639 HB2 MET 639 10.603 0.112 -1.252 442 HB3 MET 639 HB3 MET 639 11.387 1.241 -0.153 443 HG2 MET 639 HG2 MET 639 9.548 2.837 -0.690 444 HG3 MET 639 HG3 MET 639 8.767 1.548 -1.574 445 HE1 MET 639 HE1 MET 639 8.661 -1.041 1.514 446 HE2 MET 639 HE2 MET 639 10.115 -0.634 0.594 447 HE3 MET 639 HE3 MET 639 8.595 -0.925 -0.247 448 H TYR 640 H TYR 640 12.605 0.019 -3.694 449 HA TYR 640 HA TYR 640 14.933 -0.553 -2.119 450 HB2 TYR 640 HB2 TYR 640 13.692 -2.232 -3.491 451 HB3 TYR 640 HB3 TYR 640 14.258 -1.411 -4.948 452 HD1 TYR 640 HD1 TYR 640 15.416 -3.299 -1.955 453 HD2 TYR 640 HD2 TYR 640 16.363 -1.907 -5.866 454 HE1 TYR 640 HE1 TYR 640 17.458 -4.673 -1.949 455 HE2 TYR 640 HE2 TYR 640 18.400 -3.281 -5.868 456 HH TYR 640 HH TYR 640 18.994 -5.700 -3.577 457 H GLU 641 H GLU 641 14.255 1.406 -4.953 458 HA GLU 641 HA GLU 641 17.067 1.891 -5.517 459 HB2 GLU 641 HB2 GLU 641 14.544 2.918 -6.833 460 HB3 GLU 641 HB3 GLU 641 16.161 3.346 -7.350 461 HG2 GLU 641 HG2 GLU 641 15.048 0.571 -7.321 462 HG3 GLU 641 HG3 GLU 641 15.154 1.601 -8.739 463 H SER 642 H SER 642 14.493 3.392 -3.765 464 HA SER 642 HA SER 642 15.705 6.041 -3.806 465 HB2 SER 642 HB2 SER 642 13.711 6.708 -2.480 466 HB3 SER 642 HB3 SER 642 13.284 5.921 -3.999 467 HG SER 642 HG SER 642 13.192 4.864 -1.379 468 H ALA 643 H ALA 643 15.206 3.373 -1.558 469 HA ALA 643 HA ALA 643 16.330 4.851 0.684 470 HB1 ALA 643 HB1 ALA 643 15.335 2.020 0.506 471 HB2 ALA 643 HB2 ALA 643 14.396 3.414 1.029 472 HB3 ALA 643 HB3 ALA 643 15.774 2.872 1.986 473 H ASN 644 H ASN 644 18.133 4.062 1.920 474 HA ASN 644 HA ASN 644 20.076 2.499 0.350 475 HB2 ASN 644 HB2 ASN 644 20.604 4.654 2.414 476 HB3 ASN 644 HB3 ASN 644 21.851 3.687 1.639 477 HD21 ASN 644 HD21 ASN 644 20.177 6.544 1.542 478 HD22 ASN 644 HD22 ASN 644 20.537 7.022 -0.081 479 H SER 645 H SER 645 18.269 2.598 3.247 480 HA SER 645 HA SER 645 19.694 0.241 4.288 481 HB2 SER 645 HB2 SER 645 19.477 1.051 6.566 482 HB3 SER 645 HB3 SER 645 20.293 2.288 5.609 483 HG SER 645 HG SER 645 17.985 3.093 5.342 484 H ARG 646 H ARG 646 18.361 -1.134 5.681 485 HA ARG 646 HA ARG 646 15.767 -1.513 4.552 486 HB2 ARG 646 HB2 ARG 646 17.173 -3.428 5.094 487 HB3 ARG 646 HB3 ARG 646 17.101 -3.020 6.794 488 HG2 ARG 646 HG2 ARG 646 14.649 -3.430 6.738 489 HG3 ARG 646 HG3 ARG 646 14.824 -3.965 5.064 490 HD2 ARG 646 HD2 ARG 646 14.821 -5.903 6.474 491 HD3 ARG 646 HD3 ARG 646 16.452 -5.678 5.847 492 HE ARG 646 HE ARG 646 17.196 -5.293 7.982 493 HH11 ARG 646 HH11 ARG 646 13.685 -5.146 8.032 494 HH12 ARG 646 HH12 ARG 646 13.602 -5.057 9.759 495 HH21 ARG 646 HH21 ARG 646 17.059 -5.175 10.239 496 HH22 ARG 646 HH22 ARG 646 15.509 -5.073 11.005 497 H ASP 647 H ASP 647 16.868 0.185 7.310 498 HA ASP 647 HA ASP 647 14.338 0.187 8.704 499 HB2 ASP 647 HB2 ASP 647 16.903 1.750 9.047 500 HB3 ASP 647 HB3 ASP 647 15.477 2.062 10.027 501 H GLU 648 H GLU 648 15.936 2.130 6.269 502 HA GLU 648 HA GLU 648 13.948 4.246 6.352 503 HB2 GLU 648 HB2 GLU 648 16.346 3.722 4.585 504 HB3 GLU 648 HB3 GLU 648 15.239 5.054 4.297 505 HG2 GLU 648 HG2 GLU 648 16.774 4.666 6.860 506 HG3 GLU 648 HG3 GLU 648 17.324 5.669 5.522 507 H TYR 649 H TYR 649 14.866 1.546 4.261 508 HA TYR 649 HA TYR 649 13.106 1.896 2.137 509 HB2 TYR 649 HB2 TYR 649 14.869 0.358 1.863 510 HB3 TYR 649 HB3 TYR 649 14.495 -0.475 3.349 511 HD1 TYR 649 HD1 TYR 649 13.780 -0.182 -0.202 512 HD2 TYR 649 HD2 TYR 649 12.739 -2.205 3.391 513 HE1 TYR 649 HE1 TYR 649 12.620 -1.889 -1.515 514 HE2 TYR 649 HE2 TYR 649 11.569 -3.927 2.085 515 HH TYR 649 HH TYR 649 11.902 -4.224 -1.287 516 H TYR 650 H TYR 650 12.600 -0.015 5.102 517 HA TYR 650 HA TYR 650 9.912 -0.705 4.569 518 HB2 TYR 650 HB2 TYR 650 11.353 -1.908 6.186 519 HB3 TYR 650 HB3 TYR 650 11.326 -0.500 7.238 520 HD1 TYR 650 HD1 TYR 650 9.165 -3.144 5.758 521 HD2 TYR 650 HD2 TYR 650 9.562 -0.160 8.769 522 HE1 TYR 650 HE1 TYR 650 7.159 -3.998 6.859 523 HE2 TYR 650 HE2 TYR 650 7.538 -1.007 9.876 524 HH TYR 650 HH TYR 650 5.524 -2.292 9.301 525 H HIS 651 H HIS 651 11.279 2.279 5.485 526 HA HIS 651 HA HIS 651 9.069 3.172 7.126 527 HB2 HIS 651 HB2 HIS 651 11.782 3.891 6.850 528 HB3 HIS 651 HB3 HIS 651 10.855 5.304 6.368 529 HD1 HIS 651 HD1 HIS 651 12.562 4.462 9.142 530 HD2 HIS 651 HD2 HIS 651 8.512 5.255 8.634 531 HE1 HIS 651 HE1 HIS 651 11.711 5.107 11.420 532 HE2 HIS 651 HE2 HIS 651 9.271 5.629 11.078 533 H LEU 652 H LEU 652 9.985 3.472 3.731 534 HA LEU 652 HA LEU 652 8.282 5.682 3.177 535 HB2 LEU 652 HB2 LEU 652 9.355 3.563 1.326 536 HB3 LEU 652 HB3 LEU 652 8.481 4.972 0.815 537 HG LEU 652 HG LEU 652 11.174 5.032 2.151 538 HD11 LEU 652 HD11 LEU 652 12.149 5.550 0.011 539 HD12 LEU 652 HD12 LEU 652 10.575 5.380 -0.767 540 HD13 LEU 652 HD13 LEU 652 11.346 3.978 -0.026 541 HD21 LEU 652 HD21 LEU 652 11.259 7.363 1.431 542 HD22 LEU 652 HD22 LEU 652 9.932 7.042 2.559 543 HD23 LEU 652 HD23 LEU 652 9.602 7.222 0.832 544 H LEU 653 H LEU 653 7.772 2.246 3.476 545 HA LEU 653 HA LEU 653 5.181 2.283 2.174 546 HB2 LEU 653 HB2 LEU 653 7.069 0.345 2.489 547 HB3 LEU 653 HB3 LEU 653 5.951 -0.070 3.764 548 HG LEU 653 HG LEU 653 4.204 -0.535 2.234 549 HD11 LEU 653 HD11 LEU 653 4.481 1.472 0.893 550 HD12 LEU 653 HD12 LEU 653 4.270 0.020 -0.093 551 HD13 LEU 653 HD13 LEU 653 5.873 0.733 0.102 552 HD21 LEU 653 HD21 LEU 653 6.557 -1.459 0.641 553 HD22 LEU 653 HD22 LEU 653 5.007 -2.263 0.916 554 HD23 LEU 653 HD23 LEU 653 6.189 -2.153 2.219 555 H ALA 654 H ALA 654 6.500 2.249 5.433 556 HA ALA 654 HA ALA 654 4.036 1.699 6.796 557 HB1 ALA 654 HB1 ALA 654 6.207 1.183 7.791 558 HB2 ALA 654 HB2 ALA 654 5.260 2.260 8.819 559 HB3 ALA 654 HB3 ALA 654 6.590 2.904 7.857 560 H GLU 655 H GLU 655 5.623 4.613 5.651 561 HA GLU 655 HA GLU 655 3.936 6.392 7.158 562 HB2 GLU 655 HB2 GLU 655 5.865 6.904 4.889 563 HB3 GLU 655 HB3 GLU 655 4.920 8.179 5.640 564 HG2 GLU 655 HG2 GLU 655 6.016 7.766 7.767 565 HG3 GLU 655 HG3 GLU 655 6.923 6.429 7.064 566 H LYS 656 H LYS 656 3.797 4.926 3.972 567 HA LYS 656 HA LYS 656 1.507 6.376 3.063 568 HB2 LYS 656 HB2 LYS 656 2.484 3.618 2.324 569 HB3 LYS 656 HB3 LYS 656 1.146 4.415 1.537 570 HG2 LYS 656 HG2 LYS 656 2.621 6.119 0.656 571 HG3 LYS 656 HG3 LYS 656 3.990 5.432 1.533 572 HD2 LYS 656 HD2 LYS 656 3.726 3.344 0.213 573 HD3 LYS 656 HD3 LYS 656 2.437 4.121 -0.707 574 HE2 LYS 656 HE2 LYS 656 5.279 5.128 -0.528 575 HE3 LYS 656 HE3 LYS 656 4.638 4.163 -1.857 576 HZ1 LYS 656 HZ1 LYS 656 3.668 6.853 -1.047 577 HZ2 LYS 656 HZ2 LYS 656 3.050 5.927 -2.321 578 HZ3 LYS 656 HZ3 LYS 656 4.635 6.514 -2.394 579 H ILE 657 H ILE 657 2.082 3.699 5.171 580 HA ILE 657 HA ILE 657 -0.521 2.553 5.186 581 HB ILE 657 HB ILE 657 1.966 2.244 6.825 582 HG12 ILE 657 HG12 ILE 657 0.245 0.268 5.308 583 HG13 ILE 657 HG13 ILE 657 1.635 1.104 4.641 584 HG21 ILE 657 HG21 ILE 657 1.058 0.766 8.417 585 HG22 ILE 657 HG22 ILE 657 -0.516 0.739 7.618 586 HG23 ILE 657 HG23 ILE 657 0.025 2.203 8.451 587 HD11 ILE 657 HD11 ILE 657 1.732 -0.848 6.938 588 HD12 ILE 657 HD12 ILE 657 3.113 -0.086 6.150 589 HD13 ILE 657 HD13 ILE 657 2.108 -1.231 5.260 590 H TYR 658 H TYR 658 0.963 5.191 6.914 591 HA TYR 658 HA TYR 658 -1.165 5.399 8.862 592 HB2 TYR 658 HB2 TYR 658 1.252 7.104 8.242 593 HB3 TYR 658 HB3 TYR 658 0.081 7.536 9.473 594 HD1 TYR 658 HD1 TYR 658 3.183 6.072 8.978 595 HD2 TYR 658 HD2 TYR 658 -0.415 5.473 11.175 596 HE1 TYR 658 HE1 TYR 658 4.415 4.716 10.618 597 HE2 TYR 658 HE2 TYR 658 0.809 4.111 12.818 598 HH TYR 658 HH TYR 658 2.867 2.784 12.944 599 H LYS 659 H LYS 659 -0.220 6.883 5.821 600 HA LYS 659 HA LYS 659 -2.078 9.069 5.956 601 HB2 LYS 659 HB2 LYS 659 -0.416 7.999 3.695 602 HB3 LYS 659 HB3 LYS 659 -1.474 9.383 3.524 603 HG2 LYS 659 HG2 LYS 659 -0.185 10.586 5.211 604 HG3 LYS 659 HG3 LYS 659 0.870 9.189 5.411 605 HD2 LYS 659 HD2 LYS 659 1.665 9.406 3.127 606 HD3 LYS 659 HD3 LYS 659 0.533 10.725 2.821 607 HE2 LYS 659 HE2 LYS 659 2.521 11.820 3.208 608 HE3 LYS 659 HE3 LYS 659 1.715 11.909 4.770 609 HZ1 LYS 659 HZ1 LYS 659 3.044 10.022 5.515 610 HZ2 LYS 659 HZ2 LYS 659 4.032 11.306 5.031 611 HZ3 LYS 659 HZ3 LYS 659 3.835 9.965 4.018 612 H ILE 660 H ILE 660 -2.115 5.867 4.530 613 HA ILE 660 HA ILE 660 -4.568 6.133 3.100 614 HB ILE 660 HB ILE 660 -3.072 3.708 4.143 615 HG12 ILE 660 HG12 ILE 660 -3.589 4.443 1.265 616 HG13 ILE 660 HG13 ILE 660 -2.260 5.173 2.155 617 HG21 ILE 660 HG21 ILE 660 -4.578 2.266 2.913 618 HG22 ILE 660 HG22 ILE 660 -5.522 3.652 2.371 619 HG23 ILE 660 HG23 ILE 660 -5.500 3.212 4.079 620 HD11 ILE 660 HD11 ILE 660 -1.599 3.237 0.762 621 HD12 ILE 660 HD12 ILE 660 -2.614 2.207 1.770 622 HD13 ILE 660 HD13 ILE 660 -1.223 3.032 2.472 623 H GLN 661 H GLN 661 -3.701 5.404 6.393 624 HA GLN 661 HA GLN 661 -6.284 4.613 7.304 625 HB2 GLN 661 HB2 GLN 661 -3.758 5.460 8.709 626 HB3 GLN 661 HB3 GLN 661 -5.207 5.006 9.584 627 HG2 GLN 661 HG2 GLN 661 -3.930 3.181 7.576 628 HG3 GLN 661 HG3 GLN 661 -3.387 3.239 9.240 629 HE21 GLN 661 HE21 GLN 661 -4.758 1.105 7.538 630 HE22 GLN 661 HE22 GLN 661 -6.096 0.598 8.507 631 H LYS 662 H LYS 662 -4.806 7.671 6.713 632 HA LYS 662 HA LYS 662 -6.484 9.232 8.467 633 HB2 LYS 662 HB2 LYS 662 -4.232 10.016 7.731 634 HB3 LYS 662 HB3 LYS 662 -4.841 10.119 6.100 635 HG2 LYS 662 HG2 LYS 662 -6.221 11.722 8.168 636 HG3 LYS 662 HG3 LYS 662 -4.633 12.238 7.675 637 HD2 LYS 662 HD2 LYS 662 -5.382 12.460 5.399 638 HD3 LYS 662 HD3 LYS 662 -6.928 11.768 5.832 639 HE2 LYS 662 HE2 LYS 662 -7.170 13.685 7.451 640 HE3 LYS 662 HE3 LYS 662 -5.821 14.430 6.609 641 HZ1 LYS 662 HZ1 LYS 662 -8.399 13.623 5.372 642 HZ2 LYS 662 HZ2 LYS 662 -7.097 14.332 4.557 643 HZ3 LYS 662 HZ3 LYS 662 -7.933 15.208 5.738 644 H GLU 663 H GLU 663 -6.484 8.399 5.042 645 HA GLU 663 HA GLU 663 -8.539 10.141 4.209 646 HB2 GLU 663 HB2 GLU 663 -7.498 7.577 2.985 647 HB3 GLU 663 HB3 GLU 663 -8.645 8.638 2.200 648 HG2 GLU 663 HG2 GLU 663 -5.843 9.355 2.990 649 HG3 GLU 663 HG3 GLU 663 -6.382 8.965 1.357 650 H LEU 664 H LEU 664 -8.577 6.711 5.131 651 HA LEU 664 HA LEU 664 -11.391 6.397 4.755 652 HB2 LEU 664 HB2 LEU 664 -9.417 4.699 6.281 653 HB3 LEU 664 HB3 LEU 664 -11.096 4.270 6.069 654 HG LEU 664 HG LEU 664 -9.125 4.590 3.799 655 HD11 LEU 664 HD11 LEU 664 -10.134 2.009 4.976 656 HD12 LEU 664 HD12 LEU 664 -8.543 2.700 5.291 657 HD13 LEU 664 HD13 LEU 664 -8.981 2.209 3.656 658 HD21 LEU 664 HD21 LEU 664 -11.876 3.376 3.824 659 HD22 LEU 664 HD22 LEU 664 -10.793 3.503 2.434 660 HD23 LEU 664 HD23 LEU 664 -11.461 4.963 3.172 661 H GLU 665 H GLU 665 -9.537 7.778 7.270 662 HA GLU 665 HA GLU 665 -11.088 7.137 9.541 663 HB2 GLU 665 HB2 GLU 665 -8.791 7.951 9.678 664 HB3 GLU 665 HB3 GLU 665 -9.273 9.508 9.029 665 HG2 GLU 665 HG2 GLU 665 -10.587 9.960 11.017 666 HG3 GLU 665 HG3 GLU 665 -10.218 8.358 11.653 667 H GLU 666 H GLU 666 -11.652 9.427 6.981 668 HA GLU 666 HA GLU 666 -13.591 10.976 8.459 669 HB2 GLU 666 HB2 GLU 666 -12.960 10.918 5.499 670 HB3 GLU 666 HB3 GLU 666 -14.127 12.001 6.234 671 HG2 GLU 666 HG2 GLU 666 -12.347 13.050 7.537 672 HG3 GLU 666 HG3 GLU 666 -11.170 11.946 6.824 673 H LYS 667 H LYS 667 -13.602 8.065 6.612 674 HA LYS 667 HA LYS 667 -16.494 7.929 6.365 675 HB2 LYS 667 HB2 LYS 667 -14.331 5.904 5.776 676 HB3 LYS 667 HB3 LYS 667 -16.045 5.596 5.580 677 HG2 LYS 667 HG2 LYS 667 -16.172 7.405 3.914 678 HG3 LYS 667 HG3 LYS 667 -14.438 7.668 4.098 679 HD2 LYS 667 HD2 LYS 667 -14.009 5.381 3.309 680 HD3 LYS 667 HD3 LYS 667 -15.739 5.122 3.116 681 HE2 LYS 667 HE2 LYS 667 -14.384 5.692 1.039 682 HE3 LYS 667 HE3 LYS 667 -15.879 6.581 1.298 683 HZ1 LYS 667 HZ1 LYS 667 -14.590 8.423 2.189 684 HZ2 LYS 667 HZ2 LYS 667 -14.083 8.049 0.620 685 HZ3 LYS 667 HZ3 LYS 667 -13.152 7.567 1.947 686 H ARG 668 H ARG 668 -14.119 7.213 8.695 687 HA ARG 668 HA ARG 668 -15.575 5.091 10.041 688 HB2 ARG 668 HB2 ARG 668 -12.998 6.541 10.663 689 HB3 ARG 668 HB3 ARG 668 -13.671 5.293 11.695 690 HG2 ARG 668 HG2 ARG 668 -13.490 3.683 9.888 691 HG3 ARG 668 HG3 ARG 668 -12.828 4.929 8.830 692 HD2 ARG 668 HD2 ARG 668 -10.936 5.218 10.341 693 HD3 ARG 668 HD3 ARG 668 -11.606 3.995 11.421 694 HE ARG 668 HE ARG 668 -11.363 2.765 8.971 695 HH11 ARG 668 HH11 ARG 668 -9.127 4.300 11.209 696 HH12 ARG 668 HH12 ARG 668 -7.786 3.321 10.715 697 HH21 ARG 668 HH21 ARG 668 -9.591 1.499 8.345 698 HH22 ARG 668 HH22 ARG 668 -8.050 1.737 9.097 699 H ARG 669 H ARG 669 -15.294 8.535 10.206 700 HA ARG 669 HA ARG 669 -16.340 8.721 12.922 701 HB2 ARG 669 HB2 ARG 669 -15.474 10.834 10.939 702 HB3 ARG 669 HB3 ARG 669 -16.124 11.197 12.529 703 HG2 ARG 669 HG2 ARG 669 -14.252 10.014 13.569 704 HG3 ARG 669 HG3 ARG 669 -13.611 9.636 11.969 705 HD2 ARG 669 HD2 ARG 669 -13.388 12.029 11.497 706 HD3 ARG 669 HD3 ARG 669 -14.014 12.386 13.103 707 HE ARG 669 HE ARG 669 -11.849 10.776 13.549 708 HH11 ARG 669 HH11 ARG 669 -12.306 13.856 11.917 709 HH12 ARG 669 HH12 ARG 669 -10.695 14.402 12.255 710 HH21 ARG 669 HH21 ARG 669 -9.750 11.513 13.977 711 HH22 ARG 669 HH22 ARG 669 -9.252 13.077 13.419 712 H SER 670 H SER 670 -17.560 8.606 9.748 713 HA SER 670 HA SER 670 -19.928 10.197 10.224 714 HB2 SER 670 HB2 SER 670 -20.537 9.612 7.943 715 HB3 SER 670 HB3 SER 670 -18.856 10.133 8.013 716 HG SER 670 HG SER 670 -18.479 7.722 8.262 717 H ARG 671 H ARG 671 -18.999 6.860 10.451 718 HA ARG 671 HA ARG 671 -21.776 6.134 11.097 719 HB2 ARG 671 HB2 ARG 671 -19.733 4.474 9.627 720 HB3 ARG 671 HB3 ARG 671 -21.267 3.856 10.224 721 HG2 ARG 671 HG2 ARG 671 -22.462 5.408 8.768 722 HG3 ARG 671 HG3 ARG 671 -20.929 6.057 8.195 723 HD2 ARG 671 HD2 ARG 671 -20.310 3.948 7.312 724 HD3 ARG 671 HD3 ARG 671 -21.771 3.187 7.937 725 HE ARG 671 HE ARG 671 -22.982 4.134 6.206 726 HH11 ARG 671 HH11 ARG 671 -19.717 5.434 6.152 727 HH12 ARG 671 HH12 ARG 671 -19.914 6.172 4.598 728 HH21 ARG 671 HH21 ARG 671 -23.217 5.112 4.176 729 HH22 ARG 671 HH22 ARG 671 -21.894 5.989 3.482 730 H LEU 672 H LEU 672 -21.177 6.729 13.260 731 HA LEU 672 HA LEU 672 -20.139 6.602 15.270 732 HB2 LEU 672 HB2 LEU 672 -22.194 5.167 15.289 733 HB3 LEU 672 HB3 LEU 672 -21.130 3.782 15.158 734 HG LEU 672 HG LEU 672 -20.130 4.332 17.340 735 HD11 LEU 672 HD11 LEU 672 -20.445 6.754 17.309 736 HD12 LEU 672 HD12 LEU 672 -21.191 6.050 18.745 737 HD13 LEU 672 HD13 LEU 672 -22.193 6.539 17.378 738 HD21 LEU 672 HD21 LEU 672 -22.239 2.944 16.952 739 HD22 LEU 672 HD22 LEU 672 -23.118 4.326 17.620 740 HD23 LEU 672 HD23 LEU 672 -21.912 3.490 18.602 741 H1 GLY 519 H1 GLY 519 1.600 1.440 -16.552 742 H2 GLY 519 H2 GLY 519 3.270 1.356 -16.806 743 H3 GLY 519 H3 GLY 519 2.226 1.568 -18.119 744 HA2 GLY 519 HA2 GLY 519 1.559 3.735 -17.281 745 HA3 GLY 519 HA3 GLY 519 2.646 3.515 -15.918 746 H SER 520 H SER 520 2.325 4.998 -18.813 747 HA SER 520 HA SER 520 5.202 4.929 -19.428 748 HB2 SER 520 HB2 SER 520 3.956 4.290 -21.359 749 HB3 SER 520 HB3 SER 520 2.806 5.608 -21.144 750 HG SER 520 HG SER 520 5.521 5.776 -21.940 751 HA PRO 521 HA PRO 521 5.354 9.113 -17.768 752 HB2 PRO 521 HB2 PRO 521 7.903 9.738 -18.508 753 HB3 PRO 521 HB3 PRO 521 7.523 8.680 -17.152 754 HG2 PRO 521 HG2 PRO 521 8.335 7.968 -19.860 755 HG3 PRO 521 HG3 PRO 521 8.792 7.291 -18.446 756 HD2 PRO 521 HD2 PRO 521 7.053 6.207 -20.001 757 HD3 PRO 521 HD3 PRO 521 7.055 5.965 -18.386 758 H GLY 522 H GLY 522 4.947 11.152 -18.474 759 HA2 GLY 522 HA2 GLY 522 5.424 11.799 -21.305 760 HA3 GLY 522 HA3 GLY 522 3.811 11.989 -20.637 761 H TYR 523 H TYR 523 3.302 13.808 -19.561 762 HA TYR 523 HA TYR 523 5.405 15.837 -19.321 763 HB2 TYR 523 HB2 TYR 523 3.539 16.446 -20.801 764 HB3 TYR 523 HB3 TYR 523 2.401 16.201 -19.487 765 HD1 TYR 523 HD1 TYR 523 5.285 18.317 -20.538 766 HD2 TYR 523 HD2 TYR 523 1.836 17.986 -18.066 767 HE1 TYR 523 HE1 TYR 523 5.503 20.687 -19.924 768 HE2 TYR 523 HE2 TYR 523 2.048 20.356 -17.445 769 HH TYR 523 HH TYR 523 3.800 22.086 -17.353 770 HA PRO 524 HA PRO 524 5.080 15.192 -14.801 771 HB2 PRO 524 HB2 PRO 524 6.886 17.565 -14.845 772 HB3 PRO 524 HB3 PRO 524 7.052 16.044 -13.959 773 HG2 PRO 524 HG2 PRO 524 8.512 16.396 -16.059 774 HG3 PRO 524 HG3 PRO 524 7.780 14.947 -15.875 775 HD2 PRO 524 HD2 PRO 524 6.870 17.142 -17.598 776 HD3 PRO 524 HD3 PRO 524 6.981 15.567 -18.018 777 H ASN 525 H ASN 525 3.886 16.136 -13.218 778 HA ASN 525 HA ASN 525 2.766 18.811 -13.759 779 HB2 ASN 525 HB2 ASN 525 1.404 16.443 -12.451 780 HB3 ASN 525 HB3 ASN 525 0.710 18.057 -12.574 781 HD21 ASN 525 HD21 ASN 525 0.813 15.066 -13.950 782 HD22 ASN 525 HD22 ASN 525 0.245 15.459 -15.533 783 H GLY 526 H GLY 526 3.922 16.562 -11.301 784 HA2 GLY 526 HA2 GLY 526 5.244 18.232 -9.660 785 HA3 GLY 526 HA3 GLY 526 3.581 18.473 -9.145 786 H LEU 527 H LEU 527 3.089 17.349 -7.405 787 HA LEU 527 HA LEU 527 4.325 14.711 -7.012 788 HB2 LEU 527 HB2 LEU 527 3.351 16.647 -4.920 789 HB3 LEU 527 HB3 LEU 527 4.019 15.068 -4.585 790 HG LEU 527 HG LEU 527 5.537 17.408 -5.771 791 HD11 LEU 527 HD11 LEU 527 4.926 17.791 -3.468 792 HD12 LEU 527 HD12 LEU 527 6.660 17.495 -3.607 793 HD13 LEU 527 HD13 LEU 527 5.594 16.226 -3.008 794 HD21 LEU 527 HD21 LEU 527 6.502 14.676 -4.928 795 HD22 LEU 527 HD22 LEU 527 7.555 16.042 -5.302 796 HD23 LEU 527 HD23 LEU 527 6.516 15.359 -6.560 797 H LEU 528 H LEU 528 1.749 15.539 -8.386 798 HA LEU 528 HA LEU 528 -0.403 14.815 -6.700 799 HB2 LEU 528 HB2 LEU 528 -0.193 15.233 -9.678 800 HB3 LEU 528 HB3 LEU 528 -1.687 15.005 -8.824 801 HG LEU 528 HG LEU 528 0.123 17.270 -8.071 802 HD11 LEU 528 HD11 LEU 528 -1.074 18.698 -9.661 803 HD12 LEU 528 HD12 LEU 528 -1.895 17.279 -10.312 804 HD13 LEU 528 HD13 LEU 528 -0.146 17.442 -10.479 805 HD21 LEU 528 HD21 LEU 528 -2.016 18.342 -7.468 806 HD22 LEU 528 HD22 LEU 528 -1.761 16.834 -6.593 807 HD23 LEU 528 HD23 LEU 528 -2.873 16.882 -7.962 808 H SER 529 H SER 529 1.849 12.801 -7.513 809 HA SER 529 HA SER 529 0.042 10.538 -8.003 810 HB2 SER 529 HB2 SER 529 1.689 9.538 -9.581 811 HB3 SER 529 HB3 SER 529 1.003 11.046 -10.184 812 HG SER 529 HG SER 529 3.577 10.578 -9.117 813 H GLY 530 H GLY 530 2.002 11.844 -5.859 814 HA2 GLY 530 HA2 GLY 530 3.530 9.420 -5.190 815 HA3 GLY 530 HA3 GLY 530 3.843 11.032 -4.565 816 H ASP 531 H ASP 531 1.786 11.939 -3.349 817 HA ASP 531 HA ASP 531 0.974 9.856 -1.437 818 HB2 ASP 531 HB2 ASP 531 1.479 12.805 -0.940 819 HB3 ASP 531 HB3 ASP 531 0.895 11.661 0.262 820 H GLU 532 H GLU 532 -0.183 11.632 -3.882 821 HA GLU 532 HA GLU 532 -2.770 12.243 -2.698 822 HB2 GLU 532 HB2 GLU 532 -1.413 13.193 -5.189 823 HB3 GLU 532 HB3 GLU 532 -3.089 13.541 -4.828 824 HG2 GLU 532 HG2 GLU 532 -2.228 14.514 -2.624 825 HG3 GLU 532 HG3 GLU 532 -0.647 14.451 -3.377 826 H ASP 533 H ASP 533 -1.382 9.790 -4.272 827 HA ASP 533 HA ASP 533 -3.476 9.203 -6.202 828 HB2 ASP 533 HB2 ASP 533 -0.740 8.219 -5.657 829 HB3 ASP 533 HB3 ASP 533 -1.864 7.018 -6.280 830 H PHE 534 H PHE 534 -2.687 8.381 -2.945 831 HA PHE 534 HA PHE 534 -4.298 5.961 -2.901 832 HB2 PHE 534 HB2 PHE 534 -2.855 7.462 -0.704 833 HB3 PHE 534 HB3 PHE 534 -3.789 6.003 -0.429 834 HD1 PHE 534 HD1 PHE 534 -0.648 7.382 -1.556 835 HD2 PHE 534 HD2 PHE 534 -3.021 3.848 -1.407 836 HE1 PHE 534 HE1 PHE 534 1.349 6.023 -2.017 837 HE2 PHE 534 HE2 PHE 534 -1.027 2.486 -1.873 838 HZ PHE 534 HZ PHE 534 1.161 3.573 -2.172 839 H SER 535 H SER 535 -4.866 9.245 -2.687 840 HA SER 535 HA SER 535 -6.959 9.204 -0.699 841 HB2 SER 535 HB2 SER 535 -7.150 11.583 -1.131 842 HB3 SER 535 HB3 SER 535 -5.444 11.160 -1.021 843 HG SER 535 HG SER 535 -5.423 11.108 -3.333 844 H SER 536 H SER 536 -6.731 9.325 -4.218 845 HA SER 536 HA SER 536 -9.596 9.642 -4.521 846 HB2 SER 536 HB2 SER 536 -7.460 9.411 -6.629 847 HB3 SER 536 HB3 SER 536 -9.140 9.850 -6.884 848 HG SER 536 HG SER 536 -8.700 11.817 -6.302 849 H ILE 537 H ILE 537 -7.140 7.151 -5.103 850 HA ILE 537 HA ILE 537 -9.001 5.486 -6.556 851 HB ILE 537 HB ILE 537 -6.136 4.979 -5.729 852 HG12 ILE 537 HG12 ILE 537 -7.184 5.343 -8.545 853 HG13 ILE 537 HG13 ILE 537 -6.639 6.697 -7.571 854 HG21 ILE 537 HG21 ILE 537 -6.185 3.002 -7.229 855 HG22 ILE 537 HG22 ILE 537 -7.931 3.204 -7.386 856 HG23 ILE 537 HG23 ILE 537 -7.225 2.833 -5.813 857 HD11 ILE 537 HD11 ILE 537 -4.398 5.730 -7.476 858 HD12 ILE 537 HD12 ILE 537 -4.928 5.961 -9.142 859 HD13 ILE 537 HD13 ILE 537 -4.951 4.348 -8.424 860 H ALA 538 H ALA 538 -7.578 5.493 -3.320 861 HA ALA 538 HA ALA 538 -8.567 2.860 -2.762 862 HB1 ALA 538 HB1 ALA 538 -7.535 3.099 -0.577 863 HB2 ALA 538 HB2 ALA 538 -7.270 4.816 -0.880 864 HB3 ALA 538 HB3 ALA 538 -6.419 3.610 -1.844 865 H ASP 539 H ASP 539 -9.877 5.896 -2.639 866 HA ASP 539 HA ASP 539 -11.970 5.089 -0.750 867 HB2 ASP 539 HB2 ASP 539 -11.087 7.765 -1.808 868 HB3 ASP 539 HB3 ASP 539 -12.697 7.576 -1.123 869 H MET 540 H MET 540 -11.269 5.194 -4.030 870 HA MET 540 HA MET 540 -14.061 5.159 -4.877 871 HB2 MET 540 HB2 MET 540 -11.444 5.231 -6.309 872 HB3 MET 540 HB3 MET 540 -12.887 4.665 -7.153 873 HG2 MET 540 HG2 MET 540 -13.995 6.755 -6.847 874 HG3 MET 540 HG3 MET 540 -12.743 7.324 -5.748 875 HE1 MET 540 HE1 MET 540 -13.921 7.000 -9.412 876 HE2 MET 540 HE2 MET 540 -12.828 5.621 -9.303 877 HE3 MET 540 HE3 MET 540 -12.414 6.997 -10.331 878 H ASP 541 H ASP 541 -11.386 3.036 -4.258 879 HA ASP 541 HA ASP 541 -12.658 0.759 -5.536 880 HB2 ASP 541 HB2 ASP 541 -9.979 1.198 -4.243 881 HB3 ASP 541 HB3 ASP 541 -10.543 -0.409 -4.669 882 H PHE 542 H PHE 542 -12.434 2.173 -2.383 883 HA PHE 542 HA PHE 542 -12.679 -0.221 -0.835 884 HB2 PHE 542 HB2 PHE 542 -11.761 1.948 0.002 885 HB3 PHE 542 HB3 PHE 542 -13.388 2.610 -0.042 886 HD1 PHE 542 HD1 PHE 542 -11.284 0.002 1.558 887 HD2 PHE 542 HD2 PHE 542 -14.848 2.322 1.756 888 HE1 PHE 542 HE1 PHE 542 -11.689 -0.820 3.842 889 HE2 PHE 542 HE2 PHE 542 -15.259 1.505 4.037 890 HZ PHE 542 HZ PHE 542 -13.676 -0.066 5.087 891 H SER 543 H SER 543 -14.969 1.778 -2.515 892 HA SER 543 HA SER 543 -17.258 0.992 -0.946 893 HB2 SER 543 HB2 SER 543 -18.550 2.308 -2.596 894 HB3 SER 543 HB3 SER 543 -17.189 3.214 -1.944 895 HG SER 543 HG SER 543 -16.068 2.308 -3.928 896 H ALA 544 H ALA 544 -15.869 0.107 -4.055 897 HA ALA 544 HA ALA 544 -18.035 -1.694 -4.729 898 HB1 ALA 544 HB1 ALA 544 -16.744 -2.165 -6.741 899 HB2 ALA 544 HB2 ALA 544 -15.376 -1.266 -6.088 900 HB3 ALA 544 HB3 ALA 544 -16.877 -0.427 -6.477 901 H LEU 545 H LEU 545 -15.051 -1.849 -3.051 902 HA LEU 545 HA LEU 545 -14.606 -4.684 -3.423 903 HB2 LEU 545 HB2 LEU 545 -13.214 -2.467 -1.972 904 HB3 LEU 545 HB3 LEU 545 -12.767 -4.122 -1.669 905 HG LEU 545 HG LEU 545 -12.610 -2.841 -4.397 906 HD11 LEU 545 HD11 LEU 545 -10.444 -3.164 -2.328 907 HD12 LEU 545 HD12 LEU 545 -11.035 -1.649 -3.019 908 HD13 LEU 545 HD13 LEU 545 -10.158 -2.802 -4.032 909 HD21 LEU 545 HD21 LEU 545 -12.783 -5.305 -4.275 910 HD22 LEU 545 HD22 LEU 545 -11.310 -5.316 -3.299 911 HD23 LEU 545 HD23 LEU 545 -11.266 -4.732 -4.962 912 H LEU 546 H LEU 546 -16.339 -2.681 -1.191 913 HA LEU 546 HA LEU 546 -16.650 -4.747 0.826 914 HB2 LEU 546 HB2 LEU 546 -18.168 -2.188 0.306 915 HB3 LEU 546 HB3 LEU 546 -18.554 -3.280 1.613 916 HG LEU 546 HG LEU 546 -15.853 -2.007 1.333 917 HD11 LEU 546 HD11 LEU 546 -16.627 -0.340 2.981 918 HD12 LEU 546 HD12 LEU 546 -18.265 -0.977 2.829 919 HD13 LEU 546 HD13 LEU 546 -17.483 -0.211 1.446 920 HD21 LEU 546 HD21 LEU 546 -15.684 -2.501 3.709 921 HD22 LEU 546 HD22 LEU 546 -16.061 -3.972 2.812 922 HD23 LEU 546 HD23 LEU 546 -17.326 -3.139 3.708 923 H SER 547 H SER 547 -18.147 -3.736 -2.095 924 HA SER 547 HA SER 547 -20.639 -5.098 -1.832 925 HB2 SER 547 HB2 SER 547 -21.123 -4.326 -3.968 926 HB3 SER 547 HB3 SER 547 -19.941 -3.138 -3.416 927 HG SER 547 HG SER 547 -18.346 -4.321 -4.556 928 H GLN 548 H GLN 548 -17.490 -6.229 -2.569 929 HA GLN 548 HA GLN 548 -18.285 -8.472 -4.188 930 HB2 GLN 548 HB2 GLN 548 -15.657 -7.890 -2.815 931 HB3 GLN 548 HB3 GLN 548 -15.934 -9.225 -3.920 932 HG2 GLN 548 HG2 GLN 548 -15.996 -6.297 -4.560 933 HG3 GLN 548 HG3 GLN 548 -14.813 -7.489 -5.101 934 HE21 GLN 548 HE21 GLN 548 -17.005 -5.642 -6.320 935 HE22 GLN 548 HE22 GLN 548 -17.745 -6.662 -7.501 936 H ILE 549 H ILE 549 -18.418 -7.840 -0.914 937 HA ILE 549 HA ILE 549 -18.136 -10.642 -0.090 938 HB ILE 549 HB ILE 549 -18.426 -8.122 1.581 939 HG12 ILE 549 HG12 ILE 549 -16.103 -10.065 1.456 940 HG13 ILE 549 HG13 ILE 549 -16.196 -8.630 0.444 941 HG21 ILE 549 HG21 ILE 549 -18.167 -10.996 2.500 942 HG22 ILE 549 HG22 ILE 549 -19.564 -9.944 2.725 943 HG23 ILE 549 HG23 ILE 549 -18.049 -9.583 3.551 944 HD11 ILE 549 HD11 ILE 549 -14.774 -8.288 2.398 945 HD12 ILE 549 HD12 ILE 549 -16.138 -8.643 3.457 946 HD13 ILE 549 HD13 ILE 549 -16.173 -7.216 2.423 947 H SER 550 H SER 550 -20.521 -8.089 -0.451 948 HA SER 550 HA SER 550 -22.639 -9.742 0.701 949 HB2 SER 550 HB2 SER 550 -24.059 -7.717 0.389 950 HB3 SER 550 HB3 SER 550 -22.633 -7.413 1.383 951 HG SER 550 HG SER 550 -21.777 -6.213 -0.177 952 H SER 551 H SER 551 -21.546 -8.478 -2.384 953 HA SER 551 HA SER 551 -22.116 -8.818 -4.544 954 HB2 SER 551 HB2 SER 551 -23.312 -11.395 -3.484 955 HB3 SER 551 HB3 SER 551 -22.999 -11.046 -5.182 956 HG SER 551 HG SER 551 -21.246 -11.730 -3.157 Start of MODEL 13 1 H1 GLY 586 H1 GLY 586 28.780 -4.098 -10.394 2 H2 GLY 586 H2 GLY 586 29.993 -4.126 -9.216 3 H3 GLY 586 H3 GLY 586 29.119 -2.705 -9.495 4 HA2 GLY 586 HA2 GLY 586 27.092 -3.757 -8.710 5 HA3 GLY 586 HA3 GLY 586 27.996 -5.235 -8.423 6 H VAL 587 H VAL 587 26.587 -2.864 -6.836 7 HA VAL 587 HA VAL 587 28.690 -2.272 -4.899 8 HB VAL 587 HB VAL 587 25.802 -1.345 -5.007 9 HG11 VAL 587 HG11 VAL 587 26.405 0.263 -3.249 10 HG12 VAL 587 HG12 VAL 587 27.999 -0.481 -3.124 11 HG13 VAL 587 HG13 VAL 587 26.560 -1.404 -2.692 12 HG21 VAL 587 HG21 VAL 587 26.732 0.844 -5.591 13 HG22 VAL 587 HG22 VAL 587 27.179 -0.379 -6.779 14 HG23 VAL 587 HG23 VAL 587 28.356 0.158 -5.583 15 H ARG 588 H ARG 588 28.648 -2.926 -2.739 16 HA ARG 588 HA ARG 588 27.245 -5.448 -2.288 17 HB2 ARG 588 HB2 ARG 588 29.672 -5.436 -1.933 18 HB3 ARG 588 HB3 ARG 588 29.510 -4.151 -0.752 19 HG2 ARG 588 HG2 ARG 588 28.228 -5.683 0.702 20 HG3 ARG 588 HG3 ARG 588 28.464 -6.970 -0.475 21 HD2 ARG 588 HD2 ARG 588 30.897 -6.805 -0.146 22 HD3 ARG 588 HD3 ARG 588 30.650 -5.526 1.037 23 HE ARG 588 HE ARG 588 29.202 -7.843 1.775 24 HH11 ARG 588 HH11 ARG 588 32.493 -6.611 1.713 25 HH12 ARG 588 HH12 ARG 588 33.014 -7.617 3.023 26 HH21 ARG 588 HH21 ARG 588 29.909 -9.149 3.487 27 HH22 ARG 588 HH22 ARG 588 31.552 -9.050 4.025 28 H LYS 589 H LYS 589 25.527 -5.605 -1.009 29 HA LYS 589 HA LYS 589 25.029 -3.457 0.935 30 HB2 LYS 589 HB2 LYS 589 22.910 -4.769 -0.771 31 HB3 LYS 589 HB3 LYS 589 22.650 -3.500 0.413 32 HG2 LYS 589 HG2 LYS 589 24.001 -1.974 -0.955 33 HG3 LYS 589 HG3 LYS 589 24.198 -3.237 -2.168 34 HD2 LYS 589 HD2 LYS 589 22.063 -2.981 -2.947 35 HD3 LYS 589 HD3 LYS 589 21.424 -2.547 -1.353 36 HE2 LYS 589 HE2 LYS 589 22.151 -0.327 -1.544 37 HE3 LYS 589 HE3 LYS 589 23.233 -0.702 -2.884 38 HZ1 LYS 589 HZ1 LYS 589 21.250 0.444 -3.644 39 HZ2 LYS 589 HZ2 LYS 589 20.266 -0.768 -2.994 40 HZ3 LYS 589 HZ3 LYS 589 21.307 -1.124 -4.278 41 H GLY 590 H GLY 590 24.476 -4.075 2.935 42 HA2 GLY 590 HA2 GLY 590 24.529 -6.883 3.605 43 HA3 GLY 590 HA3 GLY 590 24.416 -5.541 4.730 44 H TRP 591 H TRP 591 22.047 -4.528 3.089 45 HA TRP 591 HA TRP 591 20.012 -5.989 4.554 46 HB2 TRP 591 HB2 TRP 591 18.491 -4.238 3.872 47 HB3 TRP 591 HB3 TRP 591 19.968 -3.518 4.486 48 HD1 TRP 591 HD1 TRP 591 21.338 -1.971 2.830 49 HE1 TRP 591 HE1 TRP 591 20.842 -1.014 0.495 50 HE3 TRP 591 HE3 TRP 591 17.280 -4.849 1.600 51 HZ2 TRP 591 HZ2 TRP 591 18.982 -1.410 -1.584 52 HZ3 TRP 591 HZ3 TRP 591 16.201 -4.484 -0.580 53 HH2 TRP 591 HH2 TRP 591 17.036 -2.801 -2.137 54 H HIS 592 H HIS 592 21.168 -5.805 1.298 55 HA HIS 592 HA HIS 592 18.938 -7.101 0.055 56 HB2 HIS 592 HB2 HIS 592 20.568 -5.661 -1.165 57 HB3 HIS 592 HB3 HIS 592 21.814 -6.868 -0.891 58 HD1 HIS 592 HD1 HIS 592 22.230 -8.166 -2.953 59 HD2 HIS 592 HD2 HIS 592 18.230 -7.106 -2.601 60 HE1 HIS 592 HE1 HIS 592 21.097 -9.143 -4.972 61 HE2 HIS 592 HE2 HIS 592 18.687 -8.442 -4.767 62 H GLU 593 H GLU 593 21.387 -8.215 2.113 63 HA GLU 593 HA GLU 593 21.666 -10.861 0.988 64 HB2 GLU 593 HB2 GLU 593 22.787 -9.505 3.413 65 HB3 GLU 593 HB3 GLU 593 22.974 -11.234 3.181 66 HG2 GLU 593 HG2 GLU 593 24.113 -10.805 1.058 67 HG3 GLU 593 HG3 GLU 593 23.953 -9.072 1.322 68 H HIS 594 H HIS 594 19.791 -9.351 3.550 69 HA HIS 594 HA HIS 594 18.823 -11.989 4.390 70 HB2 HIS 594 HB2 HIS 594 18.637 -9.333 5.805 71 HB3 HIS 594 HB3 HIS 594 17.834 -10.790 6.372 72 HD1 HIS 594 HD1 HIS 594 19.644 -12.847 6.840 73 HD2 HIS 594 HD2 HIS 594 21.057 -8.945 6.903 74 HE1 HIS 594 HE1 HIS 594 21.778 -12.930 8.163 75 HE2 HIS 594 HE2 HIS 594 22.689 -10.585 8.059 76 H VAL 595 H VAL 595 17.758 -9.117 2.736 77 HA VAL 595 HA VAL 595 14.957 -9.735 3.072 78 HB VAL 595 HB VAL 595 16.289 -7.701 1.254 79 HG11 VAL 595 HG11 VAL 595 13.334 -8.117 1.746 80 HG12 VAL 595 HG12 VAL 595 14.184 -8.391 0.227 81 HG13 VAL 595 HG13 VAL 595 14.044 -6.757 0.877 82 HG21 VAL 595 HG21 VAL 595 16.501 -6.855 3.389 83 HG22 VAL 595 HG22 VAL 595 14.981 -7.570 3.937 84 HG23 VAL 595 HG23 VAL 595 14.961 -6.160 2.876 85 H THR 596 H THR 596 13.734 -10.993 1.839 86 HA THR 596 HA THR 596 14.953 -12.225 -0.546 87 HB THR 596 HB THR 596 13.561 -14.187 -0.169 88 HG1 THR 596 HG1 THR 596 11.878 -12.796 0.962 89 HG21 THR 596 HG21 THR 596 15.705 -14.137 0.999 90 HG22 THR 596 HG22 THR 596 14.487 -15.001 1.939 91 HG23 THR 596 HG23 THR 596 14.939 -13.356 2.383 92 H GLN 597 H GLN 597 13.048 -13.306 -1.901 93 HA GLN 597 HA GLN 597 11.257 -11.343 -2.918 94 HB2 GLN 597 HB2 GLN 597 11.398 -14.346 -3.225 95 HB3 GLN 597 HB3 GLN 597 10.230 -13.351 -4.085 96 HG2 GLN 597 HG2 GLN 597 12.071 -12.164 -5.176 97 HG3 GLN 597 HG3 GLN 597 13.219 -13.162 -4.286 98 HE21 GLN 597 HE21 GLN 597 10.670 -15.079 -4.875 99 HE22 GLN 597 HE22 GLN 597 11.178 -15.822 -6.354 100 H ASP 598 H ASP 598 11.178 -13.448 -0.207 101 HA ASP 598 HA ASP 598 8.305 -13.703 -0.040 102 HB2 ASP 598 HB2 ASP 598 10.529 -14.514 1.838 103 HB3 ASP 598 HB3 ASP 598 8.827 -14.821 2.145 104 H LEU 599 H LEU 599 10.830 -11.778 1.642 105 HA LEU 599 HA LEU 599 9.157 -10.567 3.531 106 HB2 LEU 599 HB2 LEU 599 11.627 -9.508 2.165 107 HB3 LEU 599 HB3 LEU 599 10.811 -8.624 3.434 108 HG LEU 599 HG LEU 599 12.473 -11.107 3.619 109 HD11 LEU 599 HD11 LEU 599 13.377 -8.845 4.049 110 HD12 LEU 599 HD12 LEU 599 13.487 -9.906 5.442 111 HD13 LEU 599 HD13 LEU 599 12.232 -8.665 5.371 112 HD21 LEU 599 HD21 LEU 599 10.324 -10.309 5.573 113 HD22 LEU 599 HD22 LEU 599 11.689 -11.337 5.993 114 HD23 LEU 599 HD23 LEU 599 10.527 -11.874 4.784 115 H ARG 600 H ARG 600 9.911 -9.533 0.219 116 HA ARG 600 HA ARG 600 8.638 -7.033 0.286 117 HB2 ARG 600 HB2 ARG 600 9.225 -8.904 -2.016 118 HB3 ARG 600 HB3 ARG 600 8.561 -7.293 -2.243 119 HG2 ARG 600 HG2 ARG 600 10.522 -6.272 -1.371 120 HG3 ARG 600 HG3 ARG 600 11.139 -7.830 -0.811 121 HD2 ARG 600 HD2 ARG 600 12.306 -7.174 -2.827 122 HD3 ARG 600 HD3 ARG 600 11.291 -8.578 -3.159 123 HE ARG 600 HE ARG 600 9.891 -6.191 -3.750 124 HH11 ARG 600 HH11 ARG 600 12.461 -8.206 -5.053 125 HH12 ARG 600 HH12 ARG 600 12.164 -7.722 -6.690 126 HH21 ARG 600 HH21 ARG 600 9.521 -5.580 -5.896 127 HH22 ARG 600 HH22 ARG 600 10.503 -6.234 -7.165 128 H SER 601 H SER 601 7.387 -10.229 -0.275 129 HA SER 601 HA SER 601 4.794 -9.404 -1.210 130 HB2 SER 601 HB2 SER 601 4.209 -11.768 -1.058 131 HB3 SER 601 HB3 SER 601 5.815 -11.614 -1.762 132 HG SER 601 HG SER 601 5.121 -13.006 0.364 133 H HIS 602 H HIS 602 6.240 -10.019 1.920 134 HA HIS 602 HA HIS 602 3.708 -9.968 3.347 135 HB2 HIS 602 HB2 HIS 602 6.577 -10.037 4.325 136 HB3 HIS 602 HB3 HIS 602 5.172 -10.097 5.378 137 HD1 HIS 602 HD1 HIS 602 7.205 -12.392 5.393 138 HD2 HIS 602 HD2 HIS 602 3.785 -12.346 3.030 139 HE1 HIS 602 HE1 HIS 602 6.712 -14.804 4.875 140 HE2 HIS 602 HE2 HIS 602 4.683 -14.746 3.382 141 H LEU 603 H LEU 603 6.166 -7.770 2.344 142 HA LEU 603 HA LEU 603 5.417 -5.542 4.013 143 HB2 LEU 603 HB2 LEU 603 6.984 -5.767 1.434 144 HB3 LEU 603 HB3 LEU 603 6.693 -4.257 2.243 145 HG LEU 603 HG LEU 603 8.366 -6.536 3.314 146 HD11 LEU 603 HD11 LEU 603 10.223 -4.965 3.080 147 HD12 LEU 603 HD12 LEU 603 9.133 -3.834 2.264 148 HD13 LEU 603 HD13 LEU 603 9.485 -5.404 1.534 149 HD21 LEU 603 HD21 LEU 603 7.528 -5.506 5.238 150 HD22 LEU 603 HD22 LEU 603 7.698 -3.894 4.545 151 HD23 LEU 603 HD23 LEU 603 9.132 -4.814 4.983 152 H VAL 604 H VAL 604 4.604 -6.751 0.807 153 HA VAL 604 HA VAL 604 2.735 -4.725 0.117 154 HB VAL 604 HB VAL 604 3.332 -7.474 -0.979 155 HG11 VAL 604 HG11 VAL 604 1.035 -7.326 -1.480 156 HG12 VAL 604 HG12 VAL 604 1.873 -6.792 -2.941 157 HG13 VAL 604 HG13 VAL 604 1.150 -5.610 -1.855 158 HG21 VAL 604 HG21 VAL 604 4.906 -5.633 -1.416 159 HG22 VAL 604 HG22 VAL 604 3.593 -4.730 -2.192 160 HG23 VAL 604 HG23 VAL 604 4.150 -6.260 -2.885 161 H HIS 605 H HIS 605 2.524 -7.840 1.779 162 HA HIS 605 HA HIS 605 -0.340 -7.875 1.955 163 HB2 HIS 605 HB2 HIS 605 1.891 -9.527 3.006 164 HB3 HIS 605 HB3 HIS 605 0.404 -9.548 3.945 165 HD1 HIS 605 HD1 HIS 605 -1.448 -11.021 3.109 166 HD2 HIS 605 HD2 HIS 605 1.530 -10.455 0.264 167 HE1 HIS 605 HE1 HIS 605 -2.002 -12.601 1.234 168 HE2 HIS 605 HE2 HIS 605 -0.130 -12.314 -0.430 169 H LYS 606 H LYS 606 2.135 -6.247 3.621 170 HA LYS 606 HA LYS 606 0.625 -5.653 6.047 171 HB2 LYS 606 HB2 LYS 606 3.111 -5.876 6.027 172 HB3 LYS 606 HB3 LYS 606 3.204 -4.484 4.963 173 HG2 LYS 606 HG2 LYS 606 2.302 -3.059 6.713 174 HG3 LYS 606 HG3 LYS 606 2.145 -4.446 7.787 175 HD2 LYS 606 HD2 LYS 606 4.523 -4.799 7.735 176 HD3 LYS 606 HD3 LYS 606 4.724 -3.459 6.614 177 HE2 LYS 606 HE2 LYS 606 3.859 -1.937 8.278 178 HE3 LYS 606 HE3 LYS 606 3.593 -3.268 9.376 179 HZ1 LYS 606 HZ1 LYS 606 6.236 -2.395 8.363 180 HZ2 LYS 606 HZ2 LYS 606 5.964 -3.653 9.459 181 HZ3 LYS 606 HZ3 LYS 606 5.623 -2.058 9.903 182 H LEU 607 H LEU 607 1.182 -4.500 2.919 183 HA LEU 607 HA LEU 607 0.431 -1.740 3.274 184 HB2 LEU 607 HB2 LEU 607 1.749 -3.499 1.372 185 HB3 LEU 607 HB3 LEU 607 0.740 -2.306 0.625 186 HG LEU 607 HG LEU 607 2.980 -1.572 2.512 187 HD11 LEU 607 HD11 LEU 607 4.281 -0.948 0.524 188 HD12 LEU 607 HD12 LEU 607 3.068 -1.723 -0.505 189 HD13 LEU 607 HD13 LEU 607 4.024 -2.696 0.615 190 HD21 LEU 607 HD21 LEU 607 1.097 -0.011 2.075 191 HD22 LEU 607 HD22 LEU 607 1.571 -0.016 0.378 192 HD23 LEU 607 HD23 LEU 607 2.682 0.591 1.603 193 H VAL 608 H VAL 608 -0.825 -4.630 1.629 194 HA VAL 608 HA VAL 608 -3.238 -3.447 0.628 195 HB VAL 608 HB VAL 608 -2.407 -6.351 1.005 196 HG11 VAL 608 HG11 VAL 608 -4.826 -6.313 1.018 197 HG12 VAL 608 HG12 VAL 608 -4.260 -6.931 -0.536 198 HG13 VAL 608 HG13 VAL 608 -4.848 -5.275 -0.406 199 HG21 VAL 608 HG21 VAL 608 -1.122 -5.050 -0.650 200 HG22 VAL 608 HG22 VAL 608 -2.623 -4.674 -1.498 201 HG23 VAL 608 HG23 VAL 608 -2.063 -6.342 -1.394 202 H GLN 609 H GLN 609 -2.346 -4.808 3.733 203 HA GLN 609 HA GLN 609 -5.091 -5.181 4.568 204 HB2 GLN 609 HB2 GLN 609 -2.481 -5.645 5.963 205 HB3 GLN 609 HB3 GLN 609 -4.014 -5.731 6.818 206 HG2 GLN 609 HG2 GLN 609 -4.749 -7.481 5.272 207 HG3 GLN 609 HG3 GLN 609 -3.186 -7.381 4.478 208 HE21 GLN 609 HE21 GLN 609 -3.807 -9.795 5.301 209 HE22 GLN 609 HE22 GLN 609 -2.971 -10.235 6.747 210 H ALA 610 H ALA 610 -2.565 -2.812 4.948 211 HA ALA 610 HA ALA 610 -3.874 -1.186 6.886 212 HB1 ALA 610 HB1 ALA 610 -1.801 -0.464 4.822 213 HB2 ALA 610 HB2 ALA 610 -1.478 -1.038 6.458 214 HB3 ALA 610 HB3 ALA 610 -2.261 0.526 6.209 215 H ILE 611 H ILE 611 -3.927 -1.361 3.368 216 HA ILE 611 HA ILE 611 -5.662 0.903 3.002 217 HB ILE 611 HB ILE 611 -4.915 -1.352 1.099 218 HG12 ILE 611 HG12 ILE 611 -4.043 1.535 1.076 219 HG13 ILE 611 HG13 ILE 611 -3.105 0.258 1.819 220 HG21 ILE 611 HG21 ILE 611 -7.068 -0.428 0.432 221 HG22 ILE 611 HG22 ILE 611 -5.811 0.084 -0.695 222 HG23 ILE 611 HG23 ILE 611 -6.411 1.205 0.525 223 HD11 ILE 611 HD11 ILE 611 -2.339 0.917 -0.447 224 HD12 ILE 611 HD12 ILE 611 -3.872 0.328 -1.080 225 HD13 ILE 611 HD13 ILE 611 -2.756 -0.789 -0.308 226 H PHE 612 H PHE 612 -6.136 -2.653 2.716 227 HA PHE 612 HA PHE 612 -8.722 -2.347 4.022 228 HB2 PHE 612 HB2 PHE 612 -9.252 -2.356 1.622 229 HB3 PHE 612 HB3 PHE 612 -8.336 -3.840 1.405 230 HD1 PHE 612 HD1 PHE 612 -11.291 -2.414 3.103 231 HD2 PHE 612 HD2 PHE 612 -9.380 -5.924 1.665 232 HE1 PHE 612 HE1 PHE 612 -13.346 -3.706 3.549 233 HE2 PHE 612 HE2 PHE 612 -11.423 -7.226 2.099 234 HZ PHE 612 HZ PHE 612 -13.411 -6.117 3.044 235 HA PRO 613 HA PRO 613 -6.796 -5.931 6.108 236 HB2 PRO 613 HB2 PRO 613 -8.653 -6.147 8.084 237 HB3 PRO 613 HB3 PRO 613 -7.339 -4.979 8.134 238 HG2 PRO 613 HG2 PRO 613 -10.127 -4.556 7.348 239 HG3 PRO 613 HG3 PRO 613 -9.178 -3.600 8.271 240 HD2 PRO 613 HD2 PRO 613 -9.619 -3.056 5.807 241 HD3 PRO 613 HD3 PRO 613 -8.199 -2.674 6.517 242 H THR 614 H THR 614 -7.042 -7.977 5.420 243 HA THR 614 HA THR 614 -9.631 -8.771 4.331 244 HB THR 614 HB THR 614 -8.435 -10.561 3.165 245 HG1 THR 614 HG1 THR 614 -6.470 -9.957 4.833 246 HG21 THR 614 HG21 THR 614 -8.854 -8.500 2.002 247 HG22 THR 614 HG22 THR 614 -7.264 -9.112 1.542 248 HG23 THR 614 HG23 THR 614 -7.395 -7.776 2.684 249 HA PRO 615 HA PRO 615 -10.181 -11.793 7.744 250 HB2 PRO 615 HB2 PRO 615 -12.585 -12.081 6.011 251 HB3 PRO 615 HB3 PRO 615 -12.473 -12.089 7.759 252 HG2 PRO 615 HG2 PRO 615 -13.331 -9.957 6.659 253 HG3 PRO 615 HG3 PRO 615 -12.162 -9.772 7.784 254 HD2 PRO 615 HD2 PRO 615 -11.730 -9.822 4.844 255 HD3 PRO 615 HD3 PRO 615 -11.135 -8.698 5.869 256 H ASP 616 H ASP 616 -11.228 -12.278 4.406 257 HA ASP 616 HA ASP 616 -10.156 -15.022 4.418 258 HB2 ASP 616 HB2 ASP 616 -12.603 -14.647 3.891 259 HB3 ASP 616 HB3 ASP 616 -12.086 -13.835 2.417 260 HA PRO 617 HA PRO 617 -6.839 -13.587 1.630 261 HB2 PRO 617 HB2 PRO 617 -5.903 -16.064 1.005 262 HB3 PRO 617 HB3 PRO 617 -5.504 -15.239 2.515 263 HG2 PRO 617 HG2 PRO 617 -7.621 -17.238 2.068 264 HG3 PRO 617 HG3 PRO 617 -6.455 -17.258 3.211 265 HD2 PRO 617 HD2 PRO 617 -8.774 -16.255 3.943 266 HD3 PRO 617 HD3 PRO 617 -7.453 -15.404 4.386 267 H ALA 618 H ALA 618 -9.635 -15.412 0.906 268 HA ALA 618 HA ALA 618 -9.068 -16.029 -1.841 269 HB1 ALA 618 HB1 ALA 618 -10.580 -17.403 -0.500 270 HB2 ALA 618 HB2 ALA 618 -11.384 -16.775 -1.939 271 HB3 ALA 618 HB3 ALA 618 -11.697 -16.045 -0.364 272 H ALA 619 H ALA 619 -9.885 -13.152 -0.304 273 HA ALA 619 HA ALA 619 -11.521 -11.984 -2.378 274 HB1 ALA 619 HB1 ALA 619 -10.066 -10.623 -0.118 275 HB2 ALA 619 HB2 ALA 619 -11.688 -11.310 -0.001 276 HB3 ALA 619 HB3 ALA 619 -11.377 -9.951 -1.087 277 H LEU 620 H LEU 620 -8.250 -12.652 -2.130 278 HA LEU 620 HA LEU 620 -7.238 -10.258 -3.373 279 HB2 LEU 620 HB2 LEU 620 -5.945 -12.861 -2.554 280 HB3 LEU 620 HB3 LEU 620 -5.068 -11.581 -3.346 281 HG LEU 620 HG LEU 620 -6.424 -11.252 -0.664 282 HD11 LEU 620 HD11 LEU 620 -4.283 -11.532 0.398 283 HD12 LEU 620 HD12 LEU 620 -3.509 -11.820 -1.159 284 HD13 LEU 620 HD13 LEU 620 -4.680 -12.979 -0.531 285 HD21 LEU 620 HD21 LEU 620 -5.148 -9.263 -0.407 286 HD22 LEU 620 HD22 LEU 620 -5.959 -9.184 -1.970 287 HD23 LEU 620 HD23 LEU 620 -4.245 -9.580 -1.887 288 H LYS 621 H LYS 621 -8.916 -12.780 -4.590 289 HA LYS 621 HA LYS 621 -7.373 -12.998 -7.085 290 HB2 LYS 621 HB2 LYS 621 -9.564 -14.761 -5.960 291 HB3 LYS 621 HB3 LYS 621 -8.804 -15.003 -7.519 292 HG2 LYS 621 HG2 LYS 621 -6.656 -15.415 -6.410 293 HG3 LYS 621 HG3 LYS 621 -7.414 -15.177 -4.842 294 HD2 LYS 621 HD2 LYS 621 -8.894 -17.105 -5.297 295 HD3 LYS 621 HD3 LYS 621 -8.053 -17.346 -6.828 296 HE2 LYS 621 HE2 LYS 621 -5.990 -17.703 -5.681 297 HE3 LYS 621 HE3 LYS 621 -6.749 -17.397 -4.126 298 HZ1 LYS 621 HZ1 LYS 621 -7.398 -19.640 -5.965 299 HZ2 LYS 621 HZ2 LYS 621 -8.150 -19.343 -4.479 300 HZ3 LYS 621 HZ3 LYS 621 -6.513 -19.765 -4.528 301 H ASP 622 H ASP 622 -9.387 -10.887 -6.040 302 HA ASP 622 HA ASP 622 -11.541 -11.042 -7.992 303 HB2 ASP 622 HB2 ASP 622 -11.998 -10.368 -5.652 304 HB3 ASP 622 HB3 ASP 622 -10.953 -8.967 -5.861 305 H ARG 623 H ARG 623 -12.054 -9.212 -9.368 306 HA ARG 623 HA ARG 623 -9.745 -8.382 -10.880 307 HB2 ARG 623 HB2 ARG 623 -12.699 -7.875 -11.291 308 HB3 ARG 623 HB3 ARG 623 -11.450 -7.348 -12.408 309 HG2 ARG 623 HG2 ARG 623 -11.662 -10.199 -11.631 310 HG3 ARG 623 HG3 ARG 623 -12.743 -9.543 -12.866 311 HD2 ARG 623 HD2 ARG 623 -10.984 -10.337 -14.145 312 HD3 ARG 623 HD3 ARG 623 -10.537 -8.646 -13.927 313 HE ARG 623 HE ARG 623 -8.702 -9.320 -12.753 314 HH11 ARG 623 HH11 ARG 623 -10.938 -12.031 -12.817 315 HH12 ARG 623 HH12 ARG 623 -9.821 -13.117 -12.061 316 HH21 ARG 623 HH21 ARG 623 -7.261 -10.759 -11.763 317 HH22 ARG 623 HH22 ARG 623 -7.744 -12.394 -11.459 318 H ARG 624 H ARG 624 -12.221 -6.889 -8.918 319 HA ARG 624 HA ARG 624 -11.526 -4.166 -9.399 320 HB2 ARG 624 HB2 ARG 624 -13.090 -5.471 -7.169 321 HB3 ARG 624 HB3 ARG 624 -12.888 -3.733 -7.306 322 HG2 ARG 624 HG2 ARG 624 -14.259 -5.525 -9.313 323 HG3 ARG 624 HG3 ARG 624 -15.051 -4.442 -8.171 324 HD2 ARG 624 HD2 ARG 624 -13.164 -3.561 -10.358 325 HD3 ARG 624 HD3 ARG 624 -14.923 -3.523 -10.471 326 HE ARG 624 HE ARG 624 -13.253 -1.824 -8.760 327 HH11 ARG 624 HH11 ARG 624 -16.438 -2.590 -10.030 328 HH12 ARG 624 HH12 ARG 624 -17.136 -1.098 -9.493 329 HH21 ARG 624 HH21 ARG 624 -14.188 0.121 -8.070 330 HH22 ARG 624 HH22 ARG 624 -15.862 0.435 -8.386 331 H MET 625 H MET 625 -10.276 -6.557 -7.203 332 HA MET 625 HA MET 625 -8.951 -4.595 -5.506 333 HB2 MET 625 HB2 MET 625 -10.025 -6.662 -4.576 334 HB3 MET 625 HB3 MET 625 -8.800 -7.610 -5.413 335 HG2 MET 625 HG2 MET 625 -7.051 -6.524 -4.080 336 HG3 MET 625 HG3 MET 625 -8.276 -5.570 -3.249 337 HE1 MET 625 HE1 MET 625 -9.631 -6.224 -1.419 338 HE2 MET 625 HE2 MET 625 -9.826 -7.828 -0.719 339 HE3 MET 625 HE3 MET 625 -10.616 -7.438 -2.249 340 H GLU 626 H GLU 626 -8.141 -7.010 -7.937 341 HA GLU 626 HA GLU 626 -5.397 -7.167 -7.662 342 HB2 GLU 626 HB2 GLU 626 -6.815 -8.640 -9.073 343 HB3 GLU 626 HB3 GLU 626 -6.943 -7.343 -10.248 344 HG2 GLU 626 HG2 GLU 626 -4.539 -7.441 -10.655 345 HG3 GLU 626 HG3 GLU 626 -4.374 -8.704 -9.436 346 H ASN 627 H ASN 627 -7.239 -4.525 -8.939 347 HA ASN 627 HA ASN 627 -5.166 -3.311 -10.491 348 HB2 ASN 627 HB2 ASN 627 -7.764 -2.246 -9.387 349 HB3 ASN 627 HB3 ASN 627 -6.656 -1.257 -10.330 350 HD21 ASN 627 HD21 ASN 627 -9.329 -1.873 -11.021 351 HD22 ASN 627 HD22 ASN 627 -9.298 -2.780 -12.492 352 H LEU 628 H LEU 628 -6.191 -3.040 -7.126 353 HA LEU 628 HA LEU 628 -4.302 -0.902 -6.615 354 HB2 LEU 628 HB2 LEU 628 -6.245 -2.311 -4.773 355 HB3 LEU 628 HB3 LEU 628 -5.167 -1.048 -4.248 356 HG LEU 628 HG LEU 628 -7.373 -0.642 -6.285 357 HD11 LEU 628 HD11 LEU 628 -7.334 0.035 -3.345 358 HD12 LEU 628 HD12 LEU 628 -8.349 -1.188 -4.120 359 HD13 LEU 628 HD13 LEU 628 -8.573 0.521 -4.516 360 HD21 LEU 628 HD21 LEU 628 -5.651 0.994 -6.531 361 HD22 LEU 628 HD22 LEU 628 -5.574 1.241 -4.784 362 HD23 LEU 628 HD23 LEU 628 -7.011 1.743 -5.685 363 H VAL 629 H VAL 629 -4.579 -4.360 -6.086 364 HA VAL 629 HA VAL 629 -2.273 -4.838 -4.548 365 HB VAL 629 HB VAL 629 -3.646 -6.498 -6.674 366 HG11 VAL 629 HG11 VAL 629 -2.413 -8.466 -5.876 367 HG12 VAL 629 HG12 VAL 629 -1.413 -7.421 -4.864 368 HG13 VAL 629 HG13 VAL 629 -1.350 -7.272 -6.624 369 HG21 VAL 629 HG21 VAL 629 -4.478 -7.792 -4.776 370 HG22 VAL 629 HG22 VAL 629 -4.931 -6.091 -4.649 371 HG23 VAL 629 HG23 VAL 629 -3.609 -6.728 -3.671 372 H ALA 630 H ALA 630 -2.717 -4.182 -7.957 373 HA ALA 630 HA ALA 630 -0.010 -4.726 -8.735 374 HB1 ALA 630 HB1 ALA 630 -0.734 -3.885 -10.917 375 HB2 ALA 630 HB2 ALA 630 -2.256 -3.350 -10.196 376 HB3 ALA 630 HB3 ALA 630 -1.866 -5.070 -10.259 377 H TYR 631 H TYR 631 -1.718 -2.008 -7.461 378 HA TYR 631 HA TYR 631 0.263 -0.050 -8.184 379 HB2 TYR 631 HB2 TYR 631 -2.236 0.396 -7.665 380 HB3 TYR 631 HB3 TYR 631 -1.801 0.231 -5.978 381 HD1 TYR 631 HD1 TYR 631 -1.825 2.419 -8.871 382 HD2 TYR 631 HD2 TYR 631 -0.266 1.934 -4.931 383 HE1 TYR 631 HE1 TYR 631 -1.307 4.817 -8.774 384 HE2 TYR 631 HE2 TYR 631 0.255 4.333 -4.841 385 HH TYR 631 HH TYR 631 0.671 6.189 -6.402 386 H ALA 632 H ALA 632 -0.381 -2.169 -5.450 387 HA ALA 632 HA ALA 632 1.568 -0.959 -3.703 388 HB1 ALA 632 HB1 ALA 632 -0.119 -3.424 -3.503 389 HB2 ALA 632 HB2 ALA 632 -0.257 -1.903 -2.607 390 HB3 ALA 632 HB3 ALA 632 1.101 -2.993 -2.302 391 H LYS 633 H LYS 633 1.442 -3.738 -5.874 392 HA LYS 633 HA LYS 633 3.770 -5.083 -5.050 393 HB2 LYS 633 HB2 LYS 633 2.068 -5.067 -7.507 394 HB3 LYS 633 HB3 LYS 633 3.617 -5.885 -7.572 395 HG2 LYS 633 HG2 LYS 633 2.909 -7.284 -5.646 396 HG3 LYS 633 HG3 LYS 633 1.332 -6.511 -5.718 397 HD2 LYS 633 HD2 LYS 633 0.950 -7.371 -7.937 398 HD3 LYS 633 HD3 LYS 633 2.574 -8.039 -7.987 399 HE2 LYS 633 HE2 LYS 633 2.044 -9.770 -6.548 400 HE3 LYS 633 HE3 LYS 633 0.724 -8.875 -5.796 401 HZ1 LYS 633 HZ1 LYS 633 0.687 -10.049 -8.527 402 HZ2 LYS 633 HZ2 LYS 633 -0.583 -9.191 -7.810 403 HZ3 LYS 633 HZ3 LYS 633 -0.100 -10.681 -7.169 404 H LYS 634 H LYS 634 3.252 -2.411 -7.235 405 HA LYS 634 HA LYS 634 5.991 -2.241 -8.166 406 HB2 LYS 634 HB2 LYS 634 4.355 -1.488 -9.716 407 HB3 LYS 634 HB3 LYS 634 3.507 -0.556 -8.497 408 HG2 LYS 634 HG2 LYS 634 4.594 0.961 -9.975 409 HG3 LYS 634 HG3 LYS 634 5.451 1.013 -8.430 410 HD2 LYS 634 HD2 LYS 634 7.197 -0.439 -9.344 411 HD3 LYS 634 HD3 LYS 634 6.319 -0.555 -10.867 412 HE2 LYS 634 HE2 LYS 634 6.706 1.746 -11.362 413 HE3 LYS 634 HE3 LYS 634 7.292 2.066 -9.730 414 HZ1 LYS 634 HZ1 LYS 634 9.113 1.923 -11.306 415 HZ2 LYS 634 HZ2 LYS 634 8.646 0.360 -11.752 416 HZ3 LYS 634 HZ3 LYS 634 9.208 0.659 -10.185 417 H VAL 635 H VAL 635 4.009 -0.951 -5.643 418 HA VAL 635 HA VAL 635 5.546 1.369 -5.058 419 HB VAL 635 HB VAL 635 3.024 0.228 -4.367 420 HG11 VAL 635 HG11 VAL 635 3.975 -0.187 -2.118 421 HG12 VAL 635 HG12 VAL 635 2.640 0.963 -2.127 422 HG13 VAL 635 HG13 VAL 635 4.303 1.545 -1.979 423 HG21 VAL 635 HG21 VAL 635 4.095 3.001 -4.030 424 HG22 VAL 635 HG22 VAL 635 2.395 2.527 -4.051 425 HG23 VAL 635 HG23 VAL 635 3.389 2.325 -5.502 426 H GLU 636 H GLU 636 5.781 -1.933 -4.057 427 HA GLU 636 HA GLU 636 7.407 -1.414 -1.702 428 HB2 GLU 636 HB2 GLU 636 5.928 -3.437 -1.991 429 HB3 GLU 636 HB3 GLU 636 6.998 -3.995 -3.262 430 HG2 GLU 636 HG2 GLU 636 7.253 -5.020 -0.941 431 HG3 GLU 636 HG3 GLU 636 8.708 -4.508 -1.779 432 H GLY 637 H GLY 637 7.901 -1.980 -5.138 433 HA2 GLY 637 HA2 GLY 637 10.647 -2.841 -4.895 434 HA3 GLY 637 HA3 GLY 637 9.762 -2.586 -6.385 435 H ASP 638 H ASP 638 9.053 0.214 -5.552 436 HA ASP 638 HA ASP 638 11.335 1.530 -6.669 437 HB2 ASP 638 HB2 ASP 638 8.728 2.546 -5.545 438 HB3 ASP 638 HB3 ASP 638 9.981 3.633 -6.134 439 H MET 639 H MET 639 10.393 0.759 -3.476 440 HA MET 639 HA MET 639 11.795 2.837 -2.091 441 HB2 MET 639 HB2 MET 639 10.659 0.189 -1.195 442 HB3 MET 639 HB3 MET 639 11.443 1.337 -0.100 443 HG2 MET 639 HG2 MET 639 9.785 3.008 -0.653 444 HG3 MET 639 HG3 MET 639 9.042 1.914 -1.806 445 HE1 MET 639 HE1 MET 639 6.638 1.646 -0.948 446 HE2 MET 639 HE2 MET 639 7.138 3.133 -0.138 447 HE3 MET 639 HE3 MET 639 6.258 1.890 0.759 448 H TYR 640 H TYR 640 12.743 -0.124 -3.551 449 HA TYR 640 HA TYR 640 14.989 -0.736 -1.884 450 HB2 TYR 640 HB2 TYR 640 14.885 -2.675 -2.998 451 HB3 TYR 640 HB3 TYR 640 13.546 -2.010 -3.937 452 HD1 TYR 640 HD1 TYR 640 17.242 -2.359 -3.869 453 HD2 TYR 640 HD2 TYR 640 13.797 -1.605 -6.253 454 HE1 TYR 640 HE1 TYR 640 18.616 -2.528 -5.898 455 HE2 TYR 640 HE2 TYR 640 15.166 -1.770 -8.289 456 HH TYR 640 HH TYR 640 18.327 -3.013 -8.282 457 H GLU 641 H GLU 641 14.481 1.227 -4.726 458 HA GLU 641 HA GLU 641 17.323 1.566 -5.251 459 HB2 GLU 641 HB2 GLU 641 14.882 2.743 -6.589 460 HB3 GLU 641 HB3 GLU 641 16.529 3.056 -7.092 461 HG2 GLU 641 HG2 GLU 641 16.841 0.674 -7.552 462 HG3 GLU 641 HG3 GLU 641 15.171 0.394 -7.085 463 H SER 642 H SER 642 14.850 3.153 -3.450 464 HA SER 642 HA SER 642 16.160 5.759 -3.531 465 HB2 SER 642 HB2 SER 642 13.604 4.923 -2.142 466 HB3 SER 642 HB3 SER 642 14.194 6.575 -2.314 467 HG SER 642 HG SER 642 13.793 6.506 -4.464 468 H ALA 643 H ALA 643 15.290 3.287 -1.109 469 HA ALA 643 HA ALA 643 16.574 4.734 1.040 470 HB1 ALA 643 HB1 ALA 643 15.893 2.834 2.428 471 HB2 ALA 643 HB2 ALA 643 15.365 1.975 0.978 472 HB3 ALA 643 HB3 ALA 643 14.553 3.462 1.466 473 H ASN 644 H ASN 644 18.392 4.066 2.216 474 HA ASN 644 HA ASN 644 20.299 2.432 0.678 475 HB2 ASN 644 HB2 ASN 644 20.703 4.675 2.668 476 HB3 ASN 644 HB3 ASN 644 22.023 3.664 2.094 477 HD21 ASN 644 HD21 ASN 644 20.326 6.472 1.591 478 HD22 ASN 644 HD22 ASN 644 20.826 6.812 -0.028 479 H SER 645 H SER 645 18.482 2.478 3.579 480 HA SER 645 HA SER 645 20.049 0.236 4.661 481 HB2 SER 645 HB2 SER 645 19.675 1.100 6.955 482 HB3 SER 645 HB3 SER 645 20.619 2.222 5.977 483 HG SER 645 HG SER 645 18.164 2.942 5.590 484 H ARG 646 H ARG 646 18.795 -1.044 6.296 485 HA ARG 646 HA ARG 646 16.356 -1.899 5.077 486 HB2 ARG 646 HB2 ARG 646 17.994 -3.461 6.060 487 HB3 ARG 646 HB3 ARG 646 17.673 -2.797 7.651 488 HG2 ARG 646 HG2 ARG 646 15.382 -3.640 7.557 489 HG3 ARG 646 HG3 ARG 646 15.667 -4.264 5.936 490 HD2 ARG 646 HD2 ARG 646 15.806 -6.081 7.499 491 HD3 ARG 646 HD3 ARG 646 17.417 -5.757 6.869 492 HE ARG 646 HE ARG 646 18.101 -5.186 8.978 493 HH11 ARG 646 HH11 ARG 646 14.587 -5.249 8.982 494 HH12 ARG 646 HH12 ARG 646 14.473 -5.060 10.700 495 HH21 ARG 646 HH21 ARG 646 17.925 -4.940 11.224 496 HH22 ARG 646 HH22 ARG 646 16.361 -4.885 11.966 497 H ASP 647 H ASP 647 17.135 0.033 7.900 498 HA ASP 647 HA ASP 647 14.466 -0.055 9.008 499 HB2 ASP 647 HB2 ASP 647 16.919 1.566 9.708 500 HB3 ASP 647 HB3 ASP 647 15.382 1.753 10.542 501 H GLU 648 H GLU 648 16.190 1.947 6.748 502 HA GLU 648 HA GLU 648 14.244 4.101 6.835 503 HB2 GLU 648 HB2 GLU 648 16.666 3.561 5.103 504 HB3 GLU 648 HB3 GLU 648 15.595 4.924 4.827 505 HG2 GLU 648 HG2 GLU 648 16.136 5.854 6.980 506 HG3 GLU 648 HG3 GLU 648 17.098 4.432 7.393 507 H TYR 649 H TYR 649 15.110 1.358 4.806 508 HA TYR 649 HA TYR 649 13.501 1.769 2.588 509 HB2 TYR 649 HB2 TYR 649 15.207 0.093 2.542 510 HB3 TYR 649 HB3 TYR 649 14.540 -0.732 3.935 511 HD1 TYR 649 HD1 TYR 649 13.937 0.017 0.362 512 HD2 TYR 649 HD2 TYR 649 13.043 -2.554 3.634 513 HE1 TYR 649 HE1 TYR 649 12.797 -1.510 -1.166 514 HE2 TYR 649 HE2 TYR 649 11.890 -4.099 2.103 515 HH TYR 649 HH TYR 649 12.157 -3.882 -1.276 516 H TYR 650 H TYR 650 12.695 -0.037 5.553 517 HA TYR 650 HA TYR 650 10.025 -0.611 4.847 518 HB2 TYR 650 HB2 TYR 650 11.359 -0.493 7.561 519 HB3 TYR 650 HB3 TYR 650 9.759 -1.161 7.268 520 HD1 TYR 650 HD1 TYR 650 11.862 -2.787 8.572 521 HD2 TYR 650 HD2 TYR 650 11.006 -2.242 4.437 522 HE1 TYR 650 HE1 TYR 650 12.834 -4.976 8.092 523 HE2 TYR 650 HE2 TYR 650 11.995 -4.439 3.943 524 HH TYR 650 HH TYR 650 12.710 -6.716 6.349 525 H HIS 651 H HIS 651 11.430 2.335 5.842 526 HA HIS 651 HA HIS 651 9.174 3.308 7.366 527 HB2 HIS 651 HB2 HIS 651 11.933 4.066 6.979 528 HB3 HIS 651 HB3 HIS 651 10.887 5.463 6.774 529 HD1 HIS 651 HD1 HIS 651 12.525 3.469 9.319 530 HD2 HIS 651 HD2 HIS 651 9.153 5.893 9.136 531 HE1 HIS 651 HE1 HIS 651 11.940 3.989 11.708 532 HE2 HIS 651 HE2 HIS 651 9.839 5.372 11.576 533 H LEU 652 H LEU 652 10.224 3.541 4.012 534 HA LEU 652 HA LEU 652 8.614 5.779 3.332 535 HB2 LEU 652 HB2 LEU 652 9.738 3.564 1.643 536 HB3 LEU 652 HB3 LEU 652 8.898 4.938 0.995 537 HG LEU 652 HG LEU 652 11.511 5.062 2.483 538 HD11 LEU 652 HD11 LEU 652 11.767 3.904 0.348 539 HD12 LEU 652 HD12 LEU 652 12.628 5.442 0.400 540 HD13 LEU 652 HD13 LEU 652 11.105 5.315 -0.478 541 HD21 LEU 652 HD21 LEU 652 10.039 7.200 0.978 542 HD22 LEU 652 HD22 LEU 652 11.669 7.351 1.639 543 HD23 LEU 652 HD23 LEU 652 10.296 7.110 2.722 544 H LEU 653 H LEU 653 7.990 2.318 3.538 545 HA LEU 653 HA LEU 653 5.419 2.512 2.215 546 HB2 LEU 653 HB2 LEU 653 5.318 0.207 2.276 547 HB3 LEU 653 HB3 LEU 653 7.030 0.512 2.138 548 HG LEU 653 HG LEU 653 6.429 0.289 4.915 549 HD11 LEU 653 HD11 LEU 653 5.492 -1.912 5.028 550 HD12 LEU 653 HD12 LEU 653 5.343 -1.962 3.272 551 HD13 LEU 653 HD13 LEU 653 4.381 -0.817 4.204 552 HD21 LEU 653 HD21 LEU 653 8.055 -1.362 4.931 553 HD22 LEU 653 HD22 LEU 653 8.533 -0.341 3.571 554 HD23 LEU 653 HD23 LEU 653 7.698 -1.864 3.278 555 H ALA 654 H ALA 654 6.672 2.374 5.487 556 HA ALA 654 HA ALA 654 4.199 1.786 6.801 557 HB1 ALA 654 HB1 ALA 654 5.367 2.320 8.848 558 HB2 ALA 654 HB2 ALA 654 6.690 3.051 7.937 559 HB3 ALA 654 HB3 ALA 654 6.383 1.319 7.812 560 H GLU 655 H GLU 655 5.769 4.746 5.743 561 HA GLU 655 HA GLU 655 4.014 6.470 7.239 562 HB2 GLU 655 HB2 GLU 655 6.071 7.021 5.101 563 HB3 GLU 655 HB3 GLU 655 5.041 8.289 5.742 564 HG2 GLU 655 HG2 GLU 655 5.955 7.916 7.976 565 HG3 GLU 655 HG3 GLU 655 6.975 6.624 7.348 566 H LYS 656 H LYS 656 3.956 5.073 4.021 567 HA LYS 656 HA LYS 656 1.635 6.529 3.118 568 HB2 LYS 656 HB2 LYS 656 3.193 5.209 1.619 569 HB3 LYS 656 HB3 LYS 656 2.493 3.751 2.273 570 HG2 LYS 656 HG2 LYS 656 1.438 4.100 0.200 571 HG3 LYS 656 HG3 LYS 656 0.259 4.573 1.424 572 HD2 LYS 656 HD2 LYS 656 0.722 6.906 1.041 573 HD3 LYS 656 HD3 LYS 656 2.051 6.508 -0.050 574 HE2 LYS 656 HE2 LYS 656 0.407 5.382 -1.542 575 HE3 LYS 656 HE3 LYS 656 -0.884 5.957 -0.485 576 HZ1 LYS 656 HZ1 LYS 656 -0.586 7.409 -2.394 577 HZ2 LYS 656 HZ2 LYS 656 1.029 7.678 -1.972 578 HZ3 LYS 656 HZ3 LYS 656 -0.210 8.231 -0.961 579 H ILE 657 H ILE 657 2.267 3.785 5.153 580 HA ILE 657 HA ILE 657 -0.301 2.560 5.019 581 HB ILE 657 HB ILE 657 2.173 2.193 6.641 582 HG12 ILE 657 HG12 ILE 657 0.365 0.268 5.159 583 HG13 ILE 657 HG13 ILE 657 1.779 1.053 4.481 584 HG21 ILE 657 HG21 ILE 657 0.314 2.183 8.346 585 HG22 ILE 657 HG22 ILE 657 1.293 0.715 8.255 586 HG23 ILE 657 HG23 ILE 657 -0.315 0.746 7.527 587 HD11 ILE 657 HD11 ILE 657 2.214 -1.277 5.064 588 HD12 ILE 657 HD12 ILE 657 1.789 -0.948 6.741 589 HD13 ILE 657 HD13 ILE 657 3.211 -0.188 6.027 590 H TYR 658 H TYR 658 1.166 4.927 7.206 591 HA TYR 658 HA TYR 658 -1.192 5.085 8.881 592 HB2 TYR 658 HB2 TYR 658 1.419 6.597 8.807 593 HB3 TYR 658 HB3 TYR 658 0.126 7.026 9.910 594 HD1 TYR 658 HD1 TYR 658 3.038 5.065 9.489 595 HD2 TYR 658 HD2 TYR 658 -0.743 5.067 11.448 596 HE1 TYR 658 HE1 TYR 658 3.871 3.397 11.094 597 HE2 TYR 658 HE2 TYR 658 0.079 3.399 13.053 598 HH TYR 658 HH TYR 658 1.828 1.680 13.188 599 H LYS 659 H LYS 659 0.142 6.650 6.119 600 HA LYS 659 HA LYS 659 -1.412 9.054 6.260 601 HB2 LYS 659 HB2 LYS 659 0.615 7.879 4.429 602 HB3 LYS 659 HB3 LYS 659 -0.419 9.128 3.797 603 HG2 LYS 659 HG2 LYS 659 0.395 10.680 5.491 604 HG3 LYS 659 HG3 LYS 659 1.392 9.410 6.173 605 HD2 LYS 659 HD2 LYS 659 2.703 9.326 4.092 606 HD3 LYS 659 HD3 LYS 659 1.666 10.555 3.376 607 HE2 LYS 659 HE2 LYS 659 2.402 12.141 5.122 608 HE3 LYS 659 HE3 LYS 659 3.476 10.895 5.741 609 HZ1 LYS 659 HZ1 LYS 659 4.675 12.434 4.341 610 HZ2 LYS 659 HZ2 LYS 659 3.633 12.125 3.048 611 HZ3 LYS 659 HZ3 LYS 659 4.650 10.903 3.622 612 H ILE 660 H ILE 660 -1.775 5.927 4.689 613 HA ILE 660 HA ILE 660 -4.065 6.727 3.109 614 HB ILE 660 HB ILE 660 -2.776 4.043 3.668 615 HG12 ILE 660 HG12 ILE 660 -3.207 5.561 1.079 616 HG13 ILE 660 HG13 ILE 660 -1.728 5.621 2.026 617 HG21 ILE 660 HG21 ILE 660 -5.253 4.495 1.991 618 HG22 ILE 660 HG22 ILE 660 -5.211 3.694 3.561 619 HG23 ILE 660 HG23 ILE 660 -4.383 2.972 2.185 620 HD11 ILE 660 HD11 ILE 660 -1.494 4.122 0.134 621 HD12 ILE 660 HD12 ILE 660 -2.876 3.178 0.688 622 HD13 ILE 660 HD13 ILE 660 -1.396 3.220 1.651 623 H GLN 661 H GLN 661 -3.460 5.505 6.286 624 HA GLN 661 HA GLN 661 -6.100 4.722 6.975 625 HB2 GLN 661 HB2 GLN 661 -3.642 5.439 8.536 626 HB3 GLN 661 HB3 GLN 661 -5.164 5.173 9.366 627 HG2 GLN 661 HG2 GLN 661 -5.266 2.914 8.596 628 HG3 GLN 661 HG3 GLN 661 -3.914 3.159 7.508 629 HE21 GLN 661 HE21 GLN 661 -3.764 1.015 9.130 630 HE22 GLN 661 HE22 GLN 661 -2.627 1.277 10.405 631 H LYS 662 H LYS 662 -4.614 7.797 6.594 632 HA LYS 662 HA LYS 662 -6.345 9.345 8.281 633 HB2 LYS 662 HB2 LYS 662 -4.142 10.183 7.640 634 HB3 LYS 662 HB3 LYS 662 -4.618 10.170 5.959 635 HG2 LYS 662 HG2 LYS 662 -6.367 11.881 6.564 636 HG3 LYS 662 HG3 LYS 662 -5.594 12.007 8.125 637 HD2 LYS 662 HD2 LYS 662 -4.793 13.794 6.772 638 HD3 LYS 662 HD3 LYS 662 -3.480 12.632 6.911 639 HE2 LYS 662 HE2 LYS 662 -3.990 11.769 4.736 640 HE3 LYS 662 HE3 LYS 662 -5.369 12.836 4.588 641 HZ1 LYS 662 HZ1 LYS 662 -2.537 13.707 4.795 642 HZ2 LYS 662 HZ2 LYS 662 -3.874 14.734 4.655 643 HZ3 LYS 662 HZ3 LYS 662 -3.464 13.703 3.379 644 H GLU 663 H GLU 663 -6.313 8.519 4.835 645 HA GLU 663 HA GLU 663 -8.369 10.300 4.058 646 HB2 GLU 663 HB2 GLU 663 -7.051 7.963 2.699 647 HB3 GLU 663 HB3 GLU 663 -8.303 8.908 1.940 648 HG2 GLU 663 HG2 GLU 663 -6.953 10.872 1.975 649 HG3 GLU 663 HG3 GLU 663 -5.720 10.050 2.916 650 H LEU 664 H LEU 664 -8.370 6.766 4.537 651 HA LEU 664 HA LEU 664 -11.099 6.277 4.169 652 HB2 LEU 664 HB2 LEU 664 -9.197 4.890 6.070 653 HB3 LEU 664 HB3 LEU 664 -10.785 4.297 5.658 654 HG LEU 664 HG LEU 664 -8.498 4.579 3.702 655 HD11 LEU 664 HD11 LEU 664 -9.547 2.049 4.944 656 HD12 LEU 664 HD12 LEU 664 -8.061 2.868 5.424 657 HD13 LEU 664 HD13 LEU 664 -8.217 2.205 3.797 658 HD21 LEU 664 HD21 LEU 664 -9.794 3.485 2.107 659 HD22 LEU 664 HD22 LEU 664 -10.882 4.684 2.820 660 HD23 LEU 664 HD23 LEU 664 -10.992 2.987 3.297 661 H GLU 665 H GLU 665 -9.512 7.880 6.791 662 HA GLU 665 HA GLU 665 -11.685 7.518 8.682 663 HB2 GLU 665 HB2 GLU 665 -8.950 8.638 8.734 664 HB3 GLU 665 HB3 GLU 665 -10.092 9.396 9.829 665 HG2 GLU 665 HG2 GLU 665 -9.650 6.421 9.756 666 HG3 GLU 665 HG3 GLU 665 -8.680 7.503 10.754 667 H GLU 666 H GLU 666 -10.798 9.748 6.209 668 HA GLU 666 HA GLU 666 -12.292 12.004 7.163 669 HB2 GLU 666 HB2 GLU 666 -11.139 11.318 4.458 670 HB3 GLU 666 HB3 GLU 666 -12.026 12.803 4.766 671 HG2 GLU 666 HG2 GLU 666 -9.483 11.952 6.136 672 HG3 GLU 666 HG3 GLU 666 -9.619 13.155 4.856 673 H LYS 667 H LYS 667 -13.009 9.154 5.306 674 HA LYS 667 HA LYS 667 -15.632 10.065 4.489 675 HB2 LYS 667 HB2 LYS 667 -14.352 7.361 4.194 676 HB3 LYS 667 HB3 LYS 667 -15.878 7.844 3.478 677 HG2 LYS 667 HG2 LYS 667 -13.215 9.107 2.875 678 HG3 LYS 667 HG3 LYS 667 -13.999 7.863 1.915 679 HD2 LYS 667 HD2 LYS 667 -15.881 9.411 1.482 680 HD3 LYS 667 HD3 LYS 667 -15.080 10.633 2.450 681 HE2 LYS 667 HE2 LYS 667 -13.789 9.437 0.034 682 HE3 LYS 667 HE3 LYS 667 -14.907 10.790 -0.104 683 HZ1 LYS 667 HZ1 LYS 667 -13.456 12.119 1.246 684 HZ2 LYS 667 HZ2 LYS 667 -12.547 11.455 -0.016 685 HZ3 LYS 667 HZ3 LYS 667 -12.431 10.806 1.541 686 H ARG 668 H ARG 668 -14.239 8.577 7.198 687 HA ARG 668 HA ARG 668 -16.538 7.071 8.071 688 HB2 ARG 668 HB2 ARG 668 -13.810 7.665 9.155 689 HB3 ARG 668 HB3 ARG 668 -15.034 7.077 10.262 690 HG2 ARG 668 HG2 ARG 668 -15.321 5.068 8.933 691 HG3 ARG 668 HG3 ARG 668 -14.135 5.661 7.763 692 HD2 ARG 668 HD2 ARG 668 -12.424 5.687 9.517 693 HD3 ARG 668 HD3 ARG 668 -13.629 5.111 10.671 694 HE ARG 668 HE ARG 668 -13.648 3.239 8.689 695 HH11 ARG 668 HH11 ARG 668 -11.140 4.519 10.791 696 HH12 ARG 668 HH12 ARG 668 -10.234 3.042 10.798 697 HH21 ARG 668 HH21 ARG 668 -12.446 1.319 8.714 698 HH22 ARG 668 HH22 ARG 668 -10.974 1.232 9.623 699 H ARG 669 H ARG 669 -15.163 10.246 8.701 700 HA ARG 669 HA ARG 669 -17.059 10.810 10.843 701 HB2 ARG 669 HB2 ARG 669 -14.798 12.432 9.652 702 HB3 ARG 669 HB3 ARG 669 -15.817 12.996 10.965 703 HG2 ARG 669 HG2 ARG 669 -15.045 11.090 12.335 704 HG3 ARG 669 HG3 ARG 669 -13.944 10.638 11.029 705 HD2 ARG 669 HD2 ARG 669 -13.959 13.325 12.388 706 HD3 ARG 669 HD3 ARG 669 -12.914 11.983 12.850 707 HE ARG 669 HE ARG 669 -12.755 13.549 10.378 708 HH11 ARG 669 HH11 ARG 669 -11.391 11.018 12.401 709 HH12 ARG 669 HH12 ARG 669 -9.887 10.990 11.546 710 HH21 ARG 669 HH21 ARG 669 -10.777 13.491 9.276 711 HH22 ARG 669 HH22 ARG 669 -9.541 12.387 9.777 712 H SER 670 H SER 670 -17.048 10.981 7.501 713 HA SER 670 HA SER 670 -18.554 13.457 7.262 714 HB2 SER 670 HB2 SER 670 -18.372 13.139 4.872 715 HB3 SER 670 HB3 SER 670 -16.791 12.904 5.614 716 HG SER 670 HG SER 670 -18.511 10.723 5.118 717 H ARG 671 H ARG 671 -19.114 9.988 7.138 718 HA ARG 671 HA ARG 671 -21.906 10.410 6.358 719 HB2 ARG 671 HB2 ARG 671 -20.225 7.921 6.447 720 HB3 ARG 671 HB3 ARG 671 -21.942 7.927 6.069 721 HG2 ARG 671 HG2 ARG 671 -21.523 9.304 4.109 722 HG3 ARG 671 HG3 ARG 671 -19.813 9.383 4.511 723 HD2 ARG 671 HD2 ARG 671 -19.664 6.950 4.290 724 HD3 ARG 671 HD3 ARG 671 -21.368 6.927 3.849 725 HE ARG 671 HE ARG 671 -20.208 8.629 2.047 726 HH11 ARG 671 HH11 ARG 671 -19.669 5.267 2.919 727 HH12 ARG 671 HH12 ARG 671 -19.102 4.832 1.342 728 HH21 ARG 671 HH21 ARG 671 -19.462 8.032 -0.008 729 HH22 ARG 671 HH22 ARG 671 -18.985 6.395 -0.312 730 H LEU 672 H LEU 672 -20.070 10.050 9.105 731 HA LEU 672 HA LEU 672 -22.363 9.054 10.664 732 HB2 LEU 672 HB2 LEU 672 -19.422 8.843 11.338 733 HB3 LEU 672 HB3 LEU 672 -20.724 8.379 12.413 734 HG LEU 672 HG LEU 672 -20.176 7.087 9.735 735 HD11 LEU 672 HD11 LEU 672 -19.348 5.174 11.010 736 HD12 LEU 672 HD12 LEU 672 -19.519 6.095 12.505 737 HD13 LEU 672 HD13 LEU 672 -18.362 6.611 11.277 738 HD21 LEU 672 HD21 LEU 672 -22.502 6.941 10.383 739 HD22 LEU 672 HD22 LEU 672 -22.044 6.339 11.977 740 HD23 LEU 672 HD23 LEU 672 -21.728 5.364 10.540 741 H1 GLY 519 H1 GLY 519 22.547 18.062 8.344 742 H2 GLY 519 H2 GLY 519 20.936 18.532 8.549 743 H3 GLY 519 H3 GLY 519 22.054 19.615 7.888 744 HA2 GLY 519 HA2 GLY 519 22.330 18.197 5.949 745 HA3 GLY 519 HA3 GLY 519 21.166 17.074 6.635 746 H SER 520 H SER 520 19.089 17.320 6.133 747 HA SER 520 HA SER 520 18.211 19.882 4.971 748 HB2 SER 520 HB2 SER 520 18.299 18.409 3.123 749 HB3 SER 520 HB3 SER 520 17.634 17.067 4.056 750 HG SER 520 HG SER 520 16.307 18.708 2.538 751 HA PRO 521 HA PRO 521 15.198 19.665 8.289 752 HB2 PRO 521 HB2 PRO 521 13.638 21.780 7.557 753 HB3 PRO 521 HB3 PRO 521 15.217 21.955 8.318 754 HG2 PRO 521 HG2 PRO 521 14.503 22.182 5.502 755 HG3 PRO 521 HG3 PRO 521 15.556 23.084 6.366 756 HD2 PRO 521 HD2 PRO 521 16.306 21.242 4.742 757 HD3 PRO 521 HD3 PRO 521 17.195 21.695 6.035 758 H GLY 522 H GLY 522 14.281 19.431 4.931 759 HA2 GLY 522 HA2 GLY 522 12.758 17.609 4.349 760 HA3 GLY 522 HA3 GLY 522 11.788 18.066 5.741 761 H TYR 523 H TYR 523 11.744 18.065 2.525 762 HA TYR 523 HA TYR 523 10.046 20.467 2.386 763 HB2 TYR 523 HB2 TYR 523 11.952 19.516 0.229 764 HB3 TYR 523 HB3 TYR 523 10.811 20.841 0.056 765 HD1 TYR 523 HD1 TYR 523 14.067 19.840 1.266 766 HD2 TYR 523 HD2 TYR 523 11.138 22.926 1.419 767 HE1 TYR 523 HE1 TYR 523 15.763 21.401 2.123 768 HE2 TYR 523 HE2 TYR 523 12.828 24.493 2.273 769 HH TYR 523 HH TYR 523 16.144 23.843 2.203 770 HA PRO 524 HA PRO 524 7.463 16.877 0.985 771 HB2 PRO 524 HB2 PRO 524 5.091 17.796 1.937 772 HB3 PRO 524 HB3 PRO 524 6.236 16.902 2.941 773 HG2 PRO 524 HG2 PRO 524 5.770 19.803 2.830 774 HG3 PRO 524 HG3 PRO 524 6.055 18.873 4.142 775 HD2 PRO 524 HD2 PRO 524 7.975 20.303 3.025 776 HD3 PRO 524 HD3 PRO 524 8.302 18.918 3.828 777 H ASN 525 H ASN 525 7.442 17.159 -1.186 778 HA ASN 525 HA ASN 525 5.463 19.029 -2.290 779 HB2 ASN 525 HB2 ASN 525 8.310 18.688 -3.256 780 HB3 ASN 525 HB3 ASN 525 7.046 19.419 -4.240 781 HD21 ASN 525 HD21 ASN 525 9.437 19.960 -1.962 782 HD22 ASN 525 HD22 ASN 525 9.015 21.575 -1.518 783 H GLY 526 H GLY 526 4.310 18.289 -4.025 784 HA2 GLY 526 HA2 GLY 526 4.788 16.461 -5.928 785 HA3 GLY 526 HA3 GLY 526 4.450 15.435 -4.544 786 H LEU 527 H LEU 527 3.125 17.987 -6.588 787 HA LEU 527 HA LEU 527 0.406 17.162 -5.818 788 HB2 LEU 527 HB2 LEU 527 1.341 19.738 -7.109 789 HB3 LEU 527 HB3 LEU 527 -0.324 19.336 -6.725 790 HG LEU 527 HG LEU 527 1.870 19.674 -4.672 791 HD11 LEU 527 HD11 LEU 527 -0.375 21.523 -5.468 792 HD12 LEU 527 HD12 LEU 527 1.345 21.788 -5.754 793 HD13 LEU 527 HD13 LEU 527 0.719 21.763 -4.106 794 HD21 LEU 527 HD21 LEU 527 0.104 18.144 -3.944 795 HD22 LEU 527 HD22 LEU 527 -1.118 19.344 -4.358 796 HD23 LEU 527 HD23 LEU 527 0.027 19.665 -3.054 797 H LEU 528 H LEU 528 -0.691 18.555 -8.216 798 HA LEU 528 HA LEU 528 -1.750 17.829 -10.052 799 HB2 LEU 528 HB2 LEU 528 1.110 17.218 -10.807 800 HB3 LEU 528 HB3 LEU 528 -0.210 17.297 -11.934 801 HG LEU 528 HG LEU 528 0.852 19.618 -10.305 802 HD11 LEU 528 HD11 LEU 528 1.611 20.431 -12.525 803 HD12 LEU 528 HD12 LEU 528 1.142 18.871 -13.207 804 HD13 LEU 528 HD13 LEU 528 2.424 18.957 -11.999 805 HD21 LEU 528 HD21 LEU 528 -1.555 19.832 -10.815 806 HD22 LEU 528 HD22 LEU 528 -1.198 19.601 -12.527 807 HD23 LEU 528 HD23 LEU 528 -0.581 21.020 -11.682 808 H SER 529 H SER 529 -2.375 16.191 -8.307 809 HA SER 529 HA SER 529 -3.110 14.146 -7.704 810 HB2 SER 529 HB2 SER 529 -4.236 14.070 -9.836 811 HB3 SER 529 HB3 SER 529 -2.766 13.555 -10.656 812 HG SER 529 HG SER 529 -3.693 11.666 -10.340 813 H GLY 530 H GLY 530 -1.684 13.421 -6.277 814 HA2 GLY 530 HA2 GLY 530 0.197 11.365 -7.139 815 HA3 GLY 530 HA3 GLY 530 0.887 12.764 -6.328 816 H ASP 531 H ASP 531 -0.987 13.279 -4.387 817 HA ASP 531 HA ASP 531 -1.039 10.812 -2.776 818 HB2 ASP 531 HB2 ASP 531 -0.245 13.604 -1.987 819 HB3 ASP 531 HB3 ASP 531 -0.841 12.468 -0.782 820 H GLU 532 H GLU 532 -2.826 13.143 -4.253 821 HA GLU 532 HA GLU 532 -5.037 13.087 -2.367 822 HB2 GLU 532 HB2 GLU 532 -4.483 14.812 -4.752 823 HB3 GLU 532 HB3 GLU 532 -5.955 14.888 -3.808 824 HG2 GLU 532 HG2 GLU 532 -4.652 15.485 -1.822 825 HG3 GLU 532 HG3 GLU 532 -3.189 15.402 -2.781 826 H ASP 533 H ASP 533 -3.992 11.373 -4.890 827 HA ASP 533 HA ASP 533 -6.470 11.061 -6.372 828 HB2 ASP 533 HB2 ASP 533 -4.189 11.130 -7.454 829 HB3 ASP 533 HB3 ASP 533 -3.869 9.557 -6.736 830 H PHE 534 H PHE 534 -5.130 9.691 -3.600 831 HA PHE 534 HA PHE 534 -6.154 7.012 -3.958 832 HB2 PHE 534 HB2 PHE 534 -4.369 8.339 -2.107 833 HB3 PHE 534 HB3 PHE 534 -5.550 7.360 -1.246 834 HD1 PHE 534 HD1 PHE 534 -2.639 7.352 -3.409 835 HD2 PHE 534 HD2 PHE 534 -5.653 4.914 -1.621 836 HE1 PHE 534 HE1 PHE 534 -1.305 5.346 -3.900 837 HE2 PHE 534 HE2 PHE 534 -4.322 2.917 -2.118 838 HZ PHE 534 HZ PHE 534 -2.147 3.125 -3.255 839 H SER 535 H SER 535 -7.405 9.962 -2.915 840 HA SER 535 HA SER 535 -9.423 8.918 -1.132 841 HB2 SER 535 HB2 SER 535 -10.239 11.211 -1.023 842 HB3 SER 535 HB3 SER 535 -8.484 11.211 -0.871 843 HG SER 535 HG SER 535 -9.277 12.813 -2.334 844 H SER 536 H SER 536 -9.084 9.491 -4.522 845 HA SER 536 HA SER 536 -11.928 9.336 -5.062 846 HB2 SER 536 HB2 SER 536 -11.313 9.680 -7.381 847 HB3 SER 536 HB3 SER 536 -10.592 10.909 -6.356 848 HG SER 536 HG SER 536 -8.668 9.549 -6.392 849 H ILE 537 H ILE 537 -9.034 7.340 -5.502 850 HA ILE 537 HA ILE 537 -10.510 5.361 -7.029 851 HB ILE 537 HB ILE 537 -7.598 5.478 -6.219 852 HG12 ILE 537 HG12 ILE 537 -8.777 5.637 -9.006 853 HG13 ILE 537 HG13 ILE 537 -8.421 7.053 -8.035 854 HG21 ILE 537 HG21 ILE 537 -7.218 3.536 -7.718 855 HG22 ILE 537 HG22 ILE 537 -8.969 3.344 -7.856 856 HG23 ILE 537 HG23 ILE 537 -8.181 3.145 -6.292 857 HD11 ILE 537 HD11 ILE 537 -6.042 6.460 -8.057 858 HD12 ILE 537 HD12 ILE 537 -6.686 6.649 -9.687 859 HD13 ILE 537 HD13 ILE 537 -6.408 5.035 -9.031 860 H ALA 538 H ALA 538 -8.958 5.550 -3.829 861 HA ALA 538 HA ALA 538 -9.540 2.807 -3.262 862 HB1 ALA 538 HB1 ALA 538 -8.553 3.198 -1.079 863 HB2 ALA 538 HB2 ALA 538 -8.574 4.938 -1.367 864 HB3 ALA 538 HB3 ALA 538 -7.538 3.896 -2.342 865 H ASP 539 H ASP 539 -11.332 5.572 -3.150 866 HA ASP 539 HA ASP 539 -13.238 4.491 -1.205 867 HB2 ASP 539 HB2 ASP 539 -12.492 6.878 -0.960 868 HB3 ASP 539 HB3 ASP 539 -13.264 7.229 -2.506 869 H MET 540 H MET 540 -12.612 4.542 -4.494 870 HA MET 540 HA MET 540 -15.383 4.039 -5.258 871 HB2 MET 540 HB2 MET 540 -14.040 5.401 -6.772 872 HB3 MET 540 HB3 MET 540 -12.894 4.073 -6.950 873 HG2 MET 540 HG2 MET 540 -14.568 2.694 -8.009 874 HG3 MET 540 HG3 MET 540 -15.802 3.919 -7.732 875 HE1 MET 540 HE1 MET 540 -15.088 6.630 -10.315 876 HE2 MET 540 HE2 MET 540 -14.768 6.635 -8.579 877 HE3 MET 540 HE3 MET 540 -16.246 5.902 -9.200 878 H ASP 541 H ASP 541 -12.371 2.381 -4.672 879 HA ASP 541 HA ASP 541 -13.301 -0.122 -5.756 880 HB2 ASP 541 HB2 ASP 541 -10.738 0.895 -4.625 881 HB3 ASP 541 HB3 ASP 541 -11.001 -0.829 -4.761 882 H PHE 542 H PHE 542 -13.315 1.475 -2.695 883 HA PHE 542 HA PHE 542 -13.141 -0.863 -1.033 884 HB2 PHE 542 HB2 PHE 542 -12.450 1.345 -0.238 885 HB3 PHE 542 HB3 PHE 542 -14.090 1.945 -0.420 886 HD1 PHE 542 HD1 PHE 542 -12.063 -0.558 1.452 887 HD2 PHE 542 HD2 PHE 542 -15.580 1.839 1.347 888 HE1 PHE 542 HE1 PHE 542 -12.575 -1.211 3.769 889 HE2 PHE 542 HE2 PHE 542 -16.098 1.191 3.661 890 HZ PHE 542 HZ PHE 542 -14.592 -0.333 4.878 891 H SER 543 H SER 543 -15.705 0.659 -2.776 892 HA SER 543 HA SER 543 -17.849 -0.281 -1.088 893 HB2 SER 543 HB2 SER 543 -19.331 0.703 -2.787 894 HB3 SER 543 HB3 SER 543 -18.074 1.834 -2.295 895 HG SER 543 HG SER 543 -17.408 0.250 -4.444 896 H ALA 544 H ALA 544 -16.398 -1.243 -4.150 897 HA ALA 544 HA ALA 544 -18.247 -3.424 -4.591 898 HB1 ALA 544 HB1 ALA 544 -15.648 -2.767 -5.980 899 HB2 ALA 544 HB2 ALA 544 -17.251 -2.231 -6.483 900 HB3 ALA 544 HB3 ALA 544 -16.842 -3.948 -6.519 901 H LEU 545 H LEU 545 -15.310 -2.917 -2.912 902 HA LEU 545 HA LEU 545 -14.336 -5.616 -2.910 903 HB2 LEU 545 HB2 LEU 545 -13.465 -3.003 -2.119 904 HB3 LEU 545 HB3 LEU 545 -13.214 -4.110 -0.795 905 HG LEU 545 HG LEU 545 -11.802 -5.507 -2.257 906 HD11 LEU 545 HD11 LEU 545 -10.972 -4.476 -4.392 907 HD12 LEU 545 HD12 LEU 545 -12.337 -3.359 -4.295 908 HD13 LEU 545 HD13 LEU 545 -12.625 -5.093 -4.452 909 HD21 LEU 545 HD21 LEU 545 -11.024 -2.605 -2.118 910 HD22 LEU 545 HD22 LEU 545 -9.916 -3.951 -2.380 911 HD23 LEU 545 HD23 LEU 545 -10.787 -3.814 -0.854 912 H LEU 546 H LEU 546 -16.647 -3.845 -1.027 913 HA LEU 546 HA LEU 546 -16.629 -5.721 1.204 914 HB2 LEU 546 HB2 LEU 546 -18.360 -3.352 0.532 915 HB3 LEU 546 HB3 LEU 546 -18.705 -4.399 1.885 916 HG LEU 546 HG LEU 546 -16.197 -2.770 1.532 917 HD11 LEU 546 HD11 LEU 546 -18.613 -2.356 3.293 918 HD12 LEU 546 HD12 LEU 546 -18.110 -1.343 1.940 919 HD13 LEU 546 HD13 LEU 546 -17.116 -1.428 3.394 920 HD21 LEU 546 HD21 LEU 546 -17.181 -4.396 3.873 921 HD22 LEU 546 HD22 LEU 546 -15.736 -3.386 3.855 922 HD23 LEU 546 HD23 LEU 546 -15.830 -4.812 2.823 923 H SER 547 H SER 547 -18.300 -5.183 -1.758 924 HA SER 547 HA SER 547 -20.639 -6.735 -1.187 925 HB2 SER 547 HB2 SER 547 -21.234 -6.369 -3.497 926 HB3 SER 547 HB3 SER 547 -20.536 -4.879 -2.866 927 HG SER 547 HG SER 547 -18.494 -5.740 -3.810 928 H GLN 548 H GLN 548 -17.451 -7.597 -2.081 929 HA GLN 548 HA GLN 548 -18.211 -10.065 -3.383 930 HB2 GLN 548 HB2 GLN 548 -15.481 -8.949 -2.799 931 HB3 GLN 548 HB3 GLN 548 -15.780 -10.440 -3.680 932 HG2 GLN 548 HG2 GLN 548 -16.640 -7.687 -4.511 933 HG3 GLN 548 HG3 GLN 548 -15.283 -8.596 -5.159 934 HE21 GLN 548 HE21 GLN 548 -18.291 -7.656 -5.854 935 HE22 GLN 548 HE22 GLN 548 -18.810 -8.956 -6.867 936 H ILE 549 H ILE 549 -17.609 -9.070 -0.243 937 HA ILE 549 HA ILE 549 -16.944 -11.788 0.655 938 HB ILE 549 HB ILE 549 -16.691 -9.216 2.225 939 HG12 ILE 549 HG12 ILE 549 -14.470 -11.001 1.180 940 HG13 ILE 549 HG13 ILE 549 -14.999 -9.533 0.369 941 HG21 ILE 549 HG21 ILE 549 -15.560 -10.604 3.916 942 HG22 ILE 549 HG22 ILE 549 -15.945 -12.042 2.971 943 HG23 ILE 549 HG23 ILE 549 -17.242 -11.075 3.673 944 HD11 ILE 549 HD11 ILE 549 -14.318 -8.213 2.303 945 HD12 ILE 549 HD12 ILE 549 -12.975 -9.166 1.672 946 HD13 ILE 549 HD13 ILE 549 -13.811 -9.683 3.136 947 H SER 550 H SER 550 -19.424 -9.375 0.767 948 HA SER 550 HA SER 550 -20.887 -10.792 2.873 949 HB2 SER 550 HB2 SER 550 -22.372 -8.835 2.903 950 HB3 SER 550 HB3 SER 550 -20.688 -8.342 3.076 951 HG SER 550 HG SER 550 -21.633 -7.005 1.573 952 H SER 551 H SER 551 -21.174 -9.857 -0.533 953 HA SER 551 HA SER 551 -23.555 -11.573 -0.766 954 HB2 SER 551 HB2 SER 551 -24.062 -9.274 -1.368 955 HB3 SER 551 HB3 SER 551 -22.699 -9.230 -2.486 956 HG SER 551 HG SER 551 -25.213 -10.267 -2.821 Start of MODEL 14 1 H1 GLY 586 H1 GLY 586 32.810 -0.887 -4.494 2 H2 GLY 586 H2 GLY 586 33.249 -2.187 -5.484 3 H3 GLY 586 H3 GLY 586 33.682 -2.185 -3.849 4 HA2 GLY 586 HA2 GLY 586 30.913 -2.326 -4.910 5 HA3 GLY 586 HA3 GLY 586 31.820 -3.676 -4.244 6 H VAL 587 H VAL 587 29.358 -1.812 -3.536 7 HA VAL 587 HA VAL 587 30.039 -1.116 -0.785 8 HB VAL 587 HB VAL 587 27.444 -0.714 -2.307 9 HG11 VAL 587 HG11 VAL 587 26.800 0.798 -0.470 10 HG12 VAL 587 HG12 VAL 587 28.249 0.318 0.413 11 HG13 VAL 587 HG13 VAL 587 26.991 -0.870 0.073 12 HG21 VAL 587 HG21 VAL 587 29.596 1.275 -1.578 13 HG22 VAL 587 HG22 VAL 587 28.058 1.663 -2.349 14 HG23 VAL 587 HG23 VAL 587 29.244 0.669 -3.196 15 H ARG 588 H ARG 588 29.375 -2.210 0.992 16 HA ARG 588 HA ARG 588 28.157 -4.830 0.594 17 HB2 ARG 588 HB2 ARG 588 30.211 -4.668 1.935 18 HB3 ARG 588 HB3 ARG 588 29.412 -3.570 3.049 19 HG2 ARG 588 HG2 ARG 588 27.864 -5.364 3.697 20 HG3 ARG 588 HG3 ARG 588 28.690 -6.463 2.593 21 HD2 ARG 588 HD2 ARG 588 30.763 -6.178 3.870 22 HD3 ARG 588 HD3 ARG 588 29.937 -5.078 4.970 23 HE ARG 588 HE ARG 588 28.935 -6.883 5.995 24 HH11 ARG 588 HH11 ARG 588 30.519 -8.016 3.071 25 HH12 ARG 588 HH12 ARG 588 30.329 -9.689 3.481 26 HH21 ARG 588 HH21 ARG 588 28.698 -9.078 6.507 27 HH22 ARG 588 HH22 ARG 588 29.298 -10.287 5.422 28 H LYS 589 H LYS 589 26.094 -5.242 0.979 29 HA LYS 589 HA LYS 589 24.506 -3.327 2.562 30 HB2 LYS 589 HB2 LYS 589 23.682 -5.080 0.238 31 HB3 LYS 589 HB3 LYS 589 22.551 -4.167 1.220 32 HG2 LYS 589 HG2 LYS 589 23.577 -2.079 0.485 33 HG3 LYS 589 HG3 LYS 589 24.751 -2.979 -0.466 34 HD2 LYS 589 HD2 LYS 589 22.931 -3.877 -1.838 35 HD3 LYS 589 HD3 LYS 589 21.763 -2.939 -0.904 36 HE2 LYS 589 HE2 LYS 589 22.799 -0.874 -1.647 37 HE3 LYS 589 HE3 LYS 589 24.053 -1.779 -2.490 38 HZ1 LYS 589 HZ1 LYS 589 21.157 -1.809 -3.147 39 HZ2 LYS 589 HZ2 LYS 589 22.352 -2.695 -3.951 40 HZ3 LYS 589 HZ3 LYS 589 22.362 -1.004 -4.021 41 H GLY 590 H GLY 590 23.713 -4.034 4.407 42 HA2 GLY 590 HA2 GLY 590 23.685 -6.842 5.112 43 HA3 GLY 590 HA3 GLY 590 23.206 -5.500 6.139 44 H TRP 591 H TRP 591 21.397 -4.506 3.965 45 HA TRP 591 HA TRP 591 19.059 -6.000 4.803 46 HB2 TRP 591 HB2 TRP 591 17.774 -4.191 3.795 47 HB3 TRP 591 HB3 TRP 591 18.999 -3.565 4.878 48 HD1 TRP 591 HD1 TRP 591 21.450 -3.028 3.160 49 HE1 TRP 591 HE1 TRP 591 21.425 -1.414 1.157 50 HE3 TRP 591 HE3 TRP 591 16.417 -3.003 2.196 51 HZ2 TRP 591 HZ2 TRP 591 19.516 -0.266 -0.587 52 HZ3 TRP 591 HZ3 TRP 591 15.582 -1.609 0.350 53 HH2 TRP 591 HH2 TRP 591 17.102 -0.270 -1.009 54 H HIS 592 H HIS 592 20.908 -5.551 1.851 55 HA HIS 592 HA HIS 592 19.013 -6.651 0.049 56 HB2 HIS 592 HB2 HIS 592 20.996 -5.258 -0.607 57 HB3 HIS 592 HB3 HIS 592 22.035 -6.621 -0.225 58 HD1 HIS 592 HD1 HIS 592 22.650 -7.996 -2.178 59 HD2 HIS 592 HD2 HIS 592 19.030 -6.047 -2.765 60 HE1 HIS 592 HE1 HIS 592 21.955 -8.563 -4.526 61 HE2 HIS 592 HE2 HIS 592 19.759 -7.374 -4.862 62 H GLU 593 H GLU 593 21.451 -8.112 2.124 63 HA GLU 593 HA GLU 593 21.044 -10.769 1.020 64 HB2 GLU 593 HB2 GLU 593 22.739 -9.780 3.305 65 HB3 GLU 593 HB3 GLU 593 22.656 -11.463 2.811 66 HG2 GLU 593 HG2 GLU 593 23.525 -10.865 0.614 67 HG3 GLU 593 HG3 GLU 593 23.586 -9.174 1.101 68 H HIS 594 H HIS 594 19.528 -8.815 3.275 69 HA HIS 594 HA HIS 594 18.531 -11.048 4.895 70 HB2 HIS 594 HB2 HIS 594 19.010 -8.162 5.358 71 HB3 HIS 594 HB3 HIS 594 17.564 -8.807 6.108 72 HD1 HIS 594 HD1 HIS 594 21.271 -8.790 6.396 73 HD2 HIS 594 HD2 HIS 594 18.014 -10.679 8.158 74 HE1 HIS 594 HE1 HIS 594 22.165 -9.829 8.506 75 HE2 HIS 594 HE2 HIS 594 20.197 -11.044 9.514 76 H VAL 595 H VAL 595 17.525 -8.656 2.539 77 HA VAL 595 HA VAL 595 14.697 -9.152 2.978 78 HB VAL 595 HB VAL 595 16.202 -7.386 1.028 79 HG11 VAL 595 HG11 VAL 595 14.097 -6.631 0.045 80 HG12 VAL 595 HG12 VAL 595 13.209 -7.825 0.990 81 HG13 VAL 595 HG13 VAL 595 14.335 -8.354 -0.259 82 HG21 VAL 595 HG21 VAL 595 14.061 -6.753 3.058 83 HG22 VAL 595 HG22 VAL 595 14.993 -5.594 2.108 84 HG23 VAL 595 HG23 VAL 595 15.799 -6.579 3.326 85 H THR 596 H THR 596 13.520 -10.644 1.957 86 HA THR 596 HA THR 596 14.865 -12.344 -0.031 87 HB THR 596 HB THR 596 13.272 -14.112 0.589 88 HG1 THR 596 HG1 THR 596 12.309 -12.391 2.639 89 HG21 THR 596 HG21 THR 596 14.581 -12.848 3.002 90 HG22 THR 596 HG22 THR 596 15.347 -13.964 1.871 91 HG23 THR 596 HG23 THR 596 14.018 -14.515 2.891 92 H GLN 597 H GLN 597 13.325 -13.493 -1.543 93 HA GLN 597 HA GLN 597 11.546 -11.818 -2.970 94 HB2 GLN 597 HB2 GLN 597 11.919 -14.827 -2.951 95 HB3 GLN 597 HB3 GLN 597 10.936 -13.979 -4.121 96 HG2 GLN 597 HG2 GLN 597 12.923 -12.870 -4.975 97 HG3 GLN 597 HG3 GLN 597 13.922 -13.696 -3.785 98 HE21 GLN 597 HE21 GLN 597 14.932 -14.193 -6.050 99 HE22 GLN 597 HE22 GLN 597 14.460 -15.698 -6.743 100 H ASP 598 H ASP 598 11.228 -13.596 -0.057 101 HA ASP 598 HA ASP 598 8.356 -13.870 -0.120 102 HB2 ASP 598 HB2 ASP 598 10.387 -14.312 2.078 103 HB3 ASP 598 HB3 ASP 598 8.668 -14.618 2.254 104 H LEU 599 H LEU 599 10.698 -11.560 1.245 105 HA LEU 599 HA LEU 599 8.808 -10.132 2.811 106 HB2 LEU 599 HB2 LEU 599 11.420 -9.219 1.615 107 HB3 LEU 599 HB3 LEU 599 10.437 -8.187 2.625 108 HG LEU 599 HG LEU 599 12.116 -10.552 3.397 109 HD11 LEU 599 HD11 LEU 599 11.659 -7.877 4.703 110 HD12 LEU 599 HD12 LEU 599 12.919 -8.207 3.517 111 HD13 LEU 599 HD13 LEU 599 12.934 -9.045 5.064 112 HD21 LEU 599 HD21 LEU 599 9.707 -9.565 4.923 113 HD22 LEU 599 HD22 LEU 599 11.066 -10.373 5.696 114 HD23 LEU 599 HD23 LEU 599 10.117 -11.227 4.483 115 H ARG 600 H ARG 600 9.925 -9.689 -0.535 116 HA ARG 600 HA ARG 600 8.608 -7.323 -1.174 117 HB2 ARG 600 HB2 ARG 600 9.152 -9.740 -2.915 118 HB3 ARG 600 HB3 ARG 600 8.566 -8.206 -3.541 119 HG2 ARG 600 HG2 ARG 600 10.593 -7.102 -2.752 120 HG3 ARG 600 HG3 ARG 600 11.162 -8.636 -2.089 121 HD2 ARG 600 HD2 ARG 600 12.214 -8.176 -4.244 122 HD3 ARG 600 HD3 ARG 600 11.180 -9.602 -4.339 123 HE ARG 600 HE ARG 600 9.762 -8.464 -5.762 124 HH11 ARG 600 HH11 ARG 600 12.147 -6.207 -4.509 125 HH12 ARG 600 HH12 ARG 600 11.725 -4.961 -5.634 126 HH21 ARG 600 HH21 ARG 600 9.228 -6.817 -7.223 127 HH22 ARG 600 HH22 ARG 600 10.076 -5.308 -7.170 128 H SER 601 H SER 601 7.381 -10.579 -0.965 129 HA SER 601 HA SER 601 4.714 -9.895 -1.881 130 HB2 SER 601 HB2 SER 601 4.199 -12.231 -1.547 131 HB3 SER 601 HB3 SER 601 5.806 -12.142 -2.261 132 HG SER 601 HG SER 601 5.076 -12.780 0.378 133 H HIS 602 H HIS 602 6.389 -10.228 1.185 134 HA HIS 602 HA HIS 602 4.008 -10.456 2.788 135 HB2 HIS 602 HB2 HIS 602 6.936 -10.390 3.283 136 HB3 HIS 602 HB3 HIS 602 5.911 -9.834 4.599 137 HD1 HIS 602 HD1 HIS 602 5.187 -11.614 6.151 138 HD2 HIS 602 HD2 HIS 602 6.058 -13.123 2.379 139 HE1 HIS 602 HE1 HIS 602 4.906 -14.106 6.342 140 HE2 HIS 602 HE2 HIS 602 5.515 -15.003 4.068 141 H LEU 603 H LEU 603 6.266 -7.811 1.975 142 HA LEU 603 HA LEU 603 5.098 -5.775 3.502 143 HB2 LEU 603 HB2 LEU 603 6.542 -5.764 0.861 144 HB3 LEU 603 HB3 LEU 603 6.089 -4.297 1.693 145 HG LEU 603 HG LEU 603 8.016 -6.385 2.719 146 HD11 LEU 603 HD11 LEU 603 8.808 -4.928 0.795 147 HD12 LEU 603 HD12 LEU 603 9.794 -4.949 2.259 148 HD13 LEU 603 HD13 LEU 603 8.720 -3.587 1.942 149 HD21 LEU 603 HD21 LEU 603 8.563 -4.939 4.511 150 HD22 LEU 603 HD22 LEU 603 6.816 -5.196 4.517 151 HD23 LEU 603 HD23 LEU 603 7.490 -3.684 3.889 152 H VAL 604 H VAL 604 4.179 -7.207 0.449 153 HA VAL 604 HA VAL 604 2.141 -5.267 -0.188 154 HB VAL 604 HB VAL 604 2.931 -7.944 -1.384 155 HG11 VAL 604 HG11 VAL 604 0.495 -7.236 -1.775 156 HG12 VAL 604 HG12 VAL 604 1.478 -7.641 -3.177 157 HG13 VAL 604 HG13 VAL 604 1.178 -5.957 -2.775 158 HG21 VAL 604 HG21 VAL 604 4.024 -6.686 -3.071 159 HG22 VAL 604 HG22 VAL 604 4.524 -6.000 -1.519 160 HG23 VAL 604 HG23 VAL 604 3.306 -5.176 -2.502 161 H HIS 605 H HIS 605 2.394 -8.341 1.489 162 HA HIS 605 HA HIS 605 -0.470 -8.680 1.773 163 HB2 HIS 605 HB2 HIS 605 1.907 -10.129 2.963 164 HB3 HIS 605 HB3 HIS 605 0.247 -10.514 3.391 165 HD1 HIS 605 HD1 HIS 605 1.652 -12.804 2.237 166 HD2 HIS 605 HD2 HIS 605 -0.127 -9.946 -0.205 167 HE1 HIS 605 HE1 HIS 605 1.305 -13.935 0.017 168 HE2 HIS 605 HE2 HIS 605 0.271 -12.173 -1.458 169 H LYS 606 H LYS 606 2.049 -6.986 3.322 170 HA LYS 606 HA LYS 606 0.693 -6.600 5.872 171 HB2 LYS 606 HB2 LYS 606 3.147 -6.758 5.791 172 HB3 LYS 606 HB3 LYS 606 3.213 -5.395 4.691 173 HG2 LYS 606 HG2 LYS 606 2.242 -3.978 6.517 174 HG3 LYS 606 HG3 LYS 606 2.424 -5.356 7.599 175 HD2 LYS 606 HD2 LYS 606 4.838 -5.365 7.183 176 HD3 LYS 606 HD3 LYS 606 4.667 -3.999 6.085 177 HE2 LYS 606 HE2 LYS 606 3.849 -2.651 7.949 178 HE3 LYS 606 HE3 LYS 606 4.043 -4.015 9.038 179 HZ1 LYS 606 HZ1 LYS 606 6.417 -3.993 8.561 180 HZ2 LYS 606 HZ2 LYS 606 5.914 -2.508 9.194 181 HZ3 LYS 606 HZ3 LYS 606 6.219 -2.660 7.537 182 H LEU 607 H LEU 607 0.897 -5.250 2.765 183 HA LEU 607 HA LEU 607 0.031 -2.577 3.433 184 HB2 LEU 607 HB2 LEU 607 1.712 -3.214 1.688 185 HB3 LEU 607 HB3 LEU 607 0.392 -3.840 0.720 186 HG LEU 607 HG LEU 607 -0.365 -1.738 0.149 187 HD11 LEU 607 HD11 LEU 607 -0.307 0.182 1.520 188 HD12 LEU 607 HD12 LEU 607 0.925 -0.516 2.563 189 HD13 LEU 607 HD13 LEU 607 -0.714 -1.169 2.581 190 HD21 LEU 607 HD21 LEU 607 2.017 -1.923 -0.565 191 HD22 LEU 607 HD22 LEU 607 2.475 -1.036 0.893 192 HD23 LEU 607 HD23 LEU 607 1.472 -0.262 -0.332 193 H VAL 608 H VAL 608 -1.266 -5.363 1.606 194 HA VAL 608 HA VAL 608 -3.778 -4.218 0.946 195 HB VAL 608 HB VAL 608 -2.849 -7.106 1.071 196 HG11 VAL 608 HG11 VAL 608 -4.855 -7.682 -0.262 197 HG12 VAL 608 HG12 VAL 608 -5.483 -6.062 0.035 198 HG13 VAL 608 HG13 VAL 608 -5.243 -7.173 1.382 199 HG21 VAL 608 HG21 VAL 608 -2.886 -6.933 -1.380 200 HG22 VAL 608 HG22 VAL 608 -1.792 -5.756 -0.653 201 HG23 VAL 608 HG23 VAL 608 -3.371 -5.242 -1.247 202 H GLN 609 H GLN 609 -2.627 -5.731 3.882 203 HA GLN 609 HA GLN 609 -5.268 -6.250 4.926 204 HB2 GLN 609 HB2 GLN 609 -2.529 -6.625 6.078 205 HB3 GLN 609 HB3 GLN 609 -3.975 -6.819 7.059 206 HG2 GLN 609 HG2 GLN 609 -4.757 -8.571 5.559 207 HG3 GLN 609 HG3 GLN 609 -3.319 -8.336 4.574 208 HE21 GLN 609 HE21 GLN 609 -3.623 -10.809 5.320 209 HE22 GLN 609 HE22 GLN 609 -2.602 -11.247 6.643 210 H ALA 610 H ALA 610 -2.841 -3.775 5.175 211 HA ALA 610 HA ALA 610 -4.090 -2.338 7.321 212 HB1 ALA 610 HB1 ALA 610 -2.480 -0.573 6.745 213 HB2 ALA 610 HB2 ALA 610 -2.008 -1.493 5.314 214 HB3 ALA 610 HB3 ALA 610 -1.708 -2.149 6.922 215 H ILE 611 H ILE 611 -4.283 -2.304 3.813 216 HA ILE 611 HA ILE 611 -5.759 0.170 3.663 217 HB ILE 611 HB ILE 611 -5.243 -1.933 1.530 218 HG12 ILE 611 HG12 ILE 611 -4.005 0.792 1.936 219 HG13 ILE 611 HG13 ILE 611 -3.244 -0.716 2.373 220 HG21 ILE 611 HG21 ILE 611 -5.963 -0.202 -0.079 221 HG22 ILE 611 HG22 ILE 611 -6.436 0.825 1.270 222 HG23 ILE 611 HG23 ILE 611 -7.271 -0.701 0.993 223 HD11 ILE 611 HD11 ILE 611 -3.278 -1.366 -0.024 224 HD12 ILE 611 HD12 ILE 611 -2.300 0.060 0.317 225 HD13 ILE 611 HD13 ILE 611 -3.901 0.240 -0.399 226 H PHE 612 H PHE 612 -6.611 -3.252 2.942 227 HA PHE 612 HA PHE 612 -9.242 -2.768 4.119 228 HB2 PHE 612 HB2 PHE 612 -9.422 -2.589 1.630 229 HB3 PHE 612 HB3 PHE 612 -8.825 -4.240 1.498 230 HD1 PHE 612 HD1 PHE 612 -11.622 -2.133 2.582 231 HD2 PHE 612 HD2 PHE 612 -10.264 -6.104 1.915 232 HE1 PHE 612 HE1 PHE 612 -13.940 -2.950 2.768 233 HE2 PHE 612 HE2 PHE 612 -12.577 -6.935 2.094 234 HZ PHE 612 HZ PHE 612 -14.420 -5.354 2.519 235 HA PRO 613 HA PRO 613 -7.802 -6.757 5.913 236 HB2 PRO 613 HB2 PRO 613 -9.088 -6.563 8.278 237 HB3 PRO 613 HB3 PRO 613 -7.545 -5.767 7.987 238 HG2 PRO 613 HG2 PRO 613 -10.219 -4.603 8.050 239 HG3 PRO 613 HG3 PRO 613 -8.810 -3.951 8.555 240 HD2 PRO 613 HD2 PRO 613 -9.907 -3.367 6.147 241 HD3 PRO 613 HD3 PRO 613 -8.322 -3.143 6.469 242 H THR 614 H THR 614 -8.813 -8.683 5.666 243 HA THR 614 HA THR 614 -11.649 -8.941 6.029 244 HB THR 614 HB THR 614 -11.844 -8.273 3.797 245 HG1 THR 614 HG1 THR 614 -13.103 -10.070 4.115 246 HG21 THR 614 HG21 THR 614 -9.677 -10.237 3.057 247 HG22 THR 614 HG22 THR 614 -9.498 -8.484 3.118 248 HG23 THR 614 HG23 THR 614 -10.577 -9.218 1.932 249 HA PRO 615 HA PRO 615 -10.456 -12.974 7.715 250 HB2 PRO 615 HB2 PRO 615 -13.286 -13.398 6.883 251 HB3 PRO 615 HB3 PRO 615 -12.482 -13.883 8.366 252 HG2 PRO 615 HG2 PRO 615 -13.978 -11.769 8.372 253 HG3 PRO 615 HG3 PRO 615 -12.556 -11.723 9.173 254 HD2 PRO 615 HD2 PRO 615 -13.213 -10.475 6.702 255 HD3 PRO 615 HD3 PRO 615 -12.197 -9.935 7.861 256 H ASP 616 H ASP 616 -12.677 -13.001 4.939 257 HA ASP 616 HA ASP 616 -11.796 -15.542 3.981 258 HB2 ASP 616 HB2 ASP 616 -14.116 -14.592 3.690 259 HB3 ASP 616 HB3 ASP 616 -13.447 -13.519 2.465 260 HA PRO 617 HA PRO 617 -8.295 -13.998 1.485 261 HB2 PRO 617 HB2 PRO 617 -7.525 -16.438 0.586 262 HB3 PRO 617 HB3 PRO 617 -7.101 -15.839 2.192 263 HG2 PRO 617 HG2 PRO 617 -9.324 -17.621 1.463 264 HG3 PRO 617 HG3 PRO 617 -8.210 -17.837 2.638 265 HD2 PRO 617 HD2 PRO 617 -10.517 -16.828 3.324 266 HD3 PRO 617 HD3 PRO 617 -9.177 -16.185 4.001 267 H ALA 618 H ALA 618 -11.209 -15.530 0.570 268 HA ALA 618 HA ALA 618 -10.704 -15.943 -2.211 269 HB1 ALA 618 HB1 ALA 618 -13.341 -15.710 -0.769 270 HB2 ALA 618 HB2 ALA 618 -12.410 -17.194 -0.974 271 HB3 ALA 618 HB3 ALA 618 -13.086 -16.376 -2.382 272 H ALA 619 H ALA 619 -11.292 -13.131 -0.414 273 HA ALA 619 HA ALA 619 -12.590 -11.607 -2.503 274 HB1 ALA 619 HB1 ALA 619 -12.994 -11.155 -0.106 275 HB2 ALA 619 HB2 ALA 619 -12.418 -9.736 -0.984 276 HB3 ALA 619 HB3 ALA 619 -11.312 -10.640 0.049 277 H LEU 620 H LEU 620 -9.400 -12.528 -1.799 278 HA LEU 620 HA LEU 620 -8.090 -10.155 -2.767 279 HB2 LEU 620 HB2 LEU 620 -7.039 -12.878 -1.994 280 HB3 LEU 620 HB3 LEU 620 -6.030 -11.529 -2.449 281 HG LEU 620 HG LEU 620 -7.815 -11.656 -0.011 282 HD11 LEU 620 HD11 LEU 620 -5.842 -13.074 0.162 283 HD12 LEU 620 HD12 LEU 620 -5.714 -11.679 1.233 284 HD13 LEU 620 HD13 LEU 620 -4.813 -11.711 -0.282 285 HD21 LEU 620 HD21 LEU 620 -5.927 -9.488 -0.939 286 HD22 LEU 620 HD22 LEU 620 -6.705 -9.549 0.642 287 HD23 LEU 620 HD23 LEU 620 -7.683 -9.369 -0.815 288 H LYS 621 H LYS 621 -9.589 -12.714 -4.287 289 HA LYS 621 HA LYS 621 -7.745 -12.736 -6.581 290 HB2 LYS 621 HB2 LYS 621 -9.906 -14.705 -5.782 291 HB3 LYS 621 HB3 LYS 621 -8.934 -14.834 -7.235 292 HG2 LYS 621 HG2 LYS 621 -7.861 -14.947 -4.417 293 HG3 LYS 621 HG3 LYS 621 -8.182 -16.344 -5.434 294 HD2 LYS 621 HD2 LYS 621 -6.502 -15.540 -7.049 295 HD3 LYS 621 HD3 LYS 621 -6.187 -14.160 -6.001 296 HE2 LYS 621 HE2 LYS 621 -5.533 -15.709 -4.205 297 HE3 LYS 621 HE3 LYS 621 -5.777 -17.037 -5.330 298 HZ1 LYS 621 HZ1 LYS 621 -3.442 -16.425 -5.175 299 HZ2 LYS 621 HZ2 LYS 621 -3.804 -14.848 -5.668 300 HZ3 LYS 621 HZ3 LYS 621 -4.033 -16.139 -6.735 301 H ASP 622 H ASP 622 -10.007 -10.813 -5.737 302 HA ASP 622 HA ASP 622 -12.030 -11.091 -7.765 303 HB2 ASP 622 HB2 ASP 622 -12.234 -10.108 -5.367 304 HB3 ASP 622 HB3 ASP 622 -11.602 -8.631 -6.084 305 H ARG 623 H ARG 623 -12.578 -9.175 -9.195 306 HA ARG 623 HA ARG 623 -10.356 -8.657 -10.912 307 HB2 ARG 623 HB2 ARG 623 -13.260 -7.830 -10.951 308 HB3 ARG 623 HB3 ARG 623 -12.131 -7.306 -12.187 309 HG2 ARG 623 HG2 ARG 623 -11.695 -9.764 -12.641 310 HG3 ARG 623 HG3 ARG 623 -13.072 -10.098 -11.592 311 HD2 ARG 623 HD2 ARG 623 -13.167 -8.376 -14.069 312 HD3 ARG 623 HD3 ARG 623 -13.647 -10.071 -14.012 313 HE ARG 623 HE ARG 623 -15.120 -7.795 -12.995 314 HH11 ARG 623 HH11 ARG 623 -14.822 -11.296 -12.956 315 HH12 ARG 623 HH12 ARG 623 -16.438 -11.540 -12.386 316 HH21 ARG 623 HH21 ARG 623 -17.230 -8.140 -12.246 317 HH22 ARG 623 HH22 ARG 623 -17.800 -9.756 -11.986 318 H ARG 624 H ARG 624 -12.490 -6.473 -9.053 319 HA ARG 624 HA ARG 624 -11.070 -4.106 -9.696 320 HB2 ARG 624 HB2 ARG 624 -13.174 -4.765 -7.652 321 HB3 ARG 624 HB3 ARG 624 -12.421 -3.181 -7.689 322 HG2 ARG 624 HG2 ARG 624 -13.181 -2.949 -10.058 323 HG3 ARG 624 HG3 ARG 624 -14.056 -4.469 -9.874 324 HD2 ARG 624 HD2 ARG 624 -15.375 -3.477 -8.054 325 HD3 ARG 624 HD3 ARG 624 -14.505 -1.958 -8.252 326 HE ARG 624 HE ARG 624 -15.646 -2.706 -10.712 327 HH11 ARG 624 HH11 ARG 624 -16.645 -1.496 -7.567 328 HH12 ARG 624 HH12 ARG 624 -18.064 -0.724 -8.189 329 HH21 ARG 624 HH21 ARG 624 -17.508 -1.685 -11.500 330 HH22 ARG 624 HH22 ARG 624 -18.551 -0.831 -10.415 331 H MET 625 H MET 625 -10.632 -6.460 -7.157 332 HA MET 625 HA MET 625 -9.165 -4.714 -5.400 333 HB2 MET 625 HB2 MET 625 -10.422 -6.544 -4.434 334 HB3 MET 625 HB3 MET 625 -9.535 -7.711 -5.407 335 HG2 MET 625 HG2 MET 625 -8.706 -7.779 -3.153 336 HG3 MET 625 HG3 MET 625 -7.463 -7.093 -4.198 337 HE1 MET 625 HE1 MET 625 -9.474 -6.826 -1.106 338 HE2 MET 625 HE2 MET 625 -8.719 -5.423 -0.351 339 HE3 MET 625 HE3 MET 625 -7.728 -6.806 -0.826 340 H GLU 626 H GLU 626 -8.335 -7.211 -7.758 341 HA GLU 626 HA GLU 626 -5.613 -7.458 -7.304 342 HB2 GLU 626 HB2 GLU 626 -7.409 -7.938 -9.619 343 HB3 GLU 626 HB3 GLU 626 -5.684 -7.887 -9.950 344 HG2 GLU 626 HG2 GLU 626 -6.529 -9.565 -7.672 345 HG3 GLU 626 HG3 GLU 626 -7.004 -10.120 -9.277 346 H ASN 627 H ASN 627 -7.310 -4.775 -8.621 347 HA ASN 627 HA ASN 627 -5.223 -3.624 -10.185 348 HB2 ASN 627 HB2 ASN 627 -7.803 -2.546 -9.049 349 HB3 ASN 627 HB3 ASN 627 -6.697 -1.534 -9.965 350 HD21 ASN 627 HD21 ASN 627 -9.352 -2.057 -10.685 351 HD22 ASN 627 HD22 ASN 627 -9.354 -2.932 -12.174 352 H LEU 628 H LEU 628 -6.198 -3.275 -6.779 353 HA LEU 628 HA LEU 628 -4.200 -1.218 -6.359 354 HB2 LEU 628 HB2 LEU 628 -5.904 -2.455 -4.204 355 HB3 LEU 628 HB3 LEU 628 -5.018 -0.957 -4.121 356 HG LEU 628 HG LEU 628 -7.093 -0.891 -6.187 357 HD11 LEU 628 HD11 LEU 628 -7.967 -1.215 -3.316 358 HD12 LEU 628 HD12 LEU 628 -8.203 -2.421 -4.580 359 HD13 LEU 628 HD13 LEU 628 -8.999 -0.845 -4.707 360 HD21 LEU 628 HD21 LEU 628 -7.696 1.147 -4.897 361 HD22 LEU 628 HD22 LEU 628 -6.004 1.098 -5.415 362 HD23 LEU 628 HD23 LEU 628 -6.428 0.727 -3.740 363 H VAL 629 H VAL 629 -4.611 -4.633 -5.799 364 HA VAL 629 HA VAL 629 -2.365 -5.248 -4.260 365 HB VAL 629 HB VAL 629 -3.714 -6.736 -6.526 366 HG11 VAL 629 HG11 VAL 629 -1.402 -7.509 -6.486 367 HG12 VAL 629 HG12 VAL 629 -2.502 -8.764 -5.897 368 HG13 VAL 629 HG13 VAL 629 -1.531 -7.835 -4.752 369 HG21 VAL 629 HG21 VAL 629 -5.014 -6.461 -4.478 370 HG22 VAL 629 HG22 VAL 629 -3.709 -7.190 -3.543 371 HG23 VAL 629 HG23 VAL 629 -4.585 -8.153 -4.733 372 H ALA 630 H ALA 630 -2.674 -4.345 -7.610 373 HA ALA 630 HA ALA 630 0.081 -4.790 -8.296 374 HB1 ALA 630 HB1 ALA 630 -1.663 -5.113 -9.938 375 HB2 ALA 630 HB2 ALA 630 -0.590 -3.809 -10.457 376 HB3 ALA 630 HB3 ALA 630 -2.174 -3.432 -9.766 377 H TYR 631 H TYR 631 -1.799 -2.246 -6.943 378 HA TYR 631 HA TYR 631 0.003 -0.082 -7.486 379 HB2 TYR 631 HB2 TYR 631 -2.333 -0.447 -5.595 380 HB3 TYR 631 HB3 TYR 631 -1.360 1.012 -5.591 381 HD1 TYR 631 HD1 TYR 631 -4.330 0.983 -6.075 382 HD2 TYR 631 HD2 TYR 631 -1.039 0.727 -8.785 383 HE1 TYR 631 HE1 TYR 631 -5.738 1.905 -7.867 384 HE2 TYR 631 HE2 TYR 631 -2.455 1.645 -10.576 385 HH TYR 631 HH TYR 631 -4.843 1.830 -11.133 386 H ALA 632 H ALA 632 -0.421 -2.417 -4.869 387 HA ALA 632 HA ALA 632 1.609 -1.173 -3.207 388 HB1 ALA 632 HB1 ALA 632 1.201 -3.325 -1.835 389 HB2 ALA 632 HB2 ALA 632 -0.197 -3.531 -2.899 390 HB3 ALA 632 HB3 ALA 632 -0.054 -2.086 -1.899 391 H LYS 633 H LYS 633 1.386 -3.712 -5.566 392 HA LYS 633 HA LYS 633 3.702 -5.183 -4.962 393 HB2 LYS 633 HB2 LYS 633 1.900 -4.842 -7.302 394 HB3 LYS 633 HB3 LYS 633 3.474 -5.555 -7.610 395 HG2 LYS 633 HG2 LYS 633 2.985 -7.331 -5.992 396 HG3 LYS 633 HG3 LYS 633 1.410 -6.609 -5.688 397 HD2 LYS 633 HD2 LYS 633 0.599 -7.164 -7.788 398 HD3 LYS 633 HD3 LYS 633 2.215 -7.365 -8.454 399 HE2 LYS 633 HE2 LYS 633 2.511 -9.424 -7.258 400 HE3 LYS 633 HE3 LYS 633 1.026 -9.162 -6.344 401 HZ1 LYS 633 HZ1 LYS 633 1.193 -9.623 -9.275 402 HZ2 LYS 633 HZ2 LYS 633 -0.231 -9.384 -8.395 403 HZ3 LYS 633 HZ3 LYS 633 0.706 -10.764 -8.124 404 H LYS 634 H LYS 634 3.225 -2.193 -6.719 405 HA LYS 634 HA LYS 634 5.843 -2.182 -7.863 406 HB2 LYS 634 HB2 LYS 634 5.166 -0.359 -9.114 407 HB3 LYS 634 HB3 LYS 634 3.740 -1.362 -9.015 408 HG2 LYS 634 HG2 LYS 634 2.929 0.092 -7.177 409 HG3 LYS 634 HG3 LYS 634 4.347 1.102 -7.433 410 HD2 LYS 634 HD2 LYS 634 3.584 1.462 -9.790 411 HD3 LYS 634 HD3 LYS 634 2.105 0.590 -9.390 412 HE2 LYS 634 HE2 LYS 634 1.609 2.277 -7.654 413 HE3 LYS 634 HE3 LYS 634 3.062 3.161 -8.118 414 HZ1 LYS 634 HZ1 LYS 634 0.717 2.630 -9.866 415 HZ2 LYS 634 HZ2 LYS 634 2.110 3.472 -10.324 416 HZ3 LYS 634 HZ3 LYS 634 1.092 4.110 -9.133 417 H VAL 635 H VAL 635 4.411 -0.904 -4.968 418 HA VAL 635 HA VAL 635 5.971 1.475 -4.871 419 HB VAL 635 HB VAL 635 4.182 0.182 -2.848 420 HG11 VAL 635 HG11 VAL 635 6.048 0.923 -1.521 421 HG12 VAL 635 HG12 VAL 635 4.673 2.000 -1.258 422 HG13 VAL 635 HG13 VAL 635 6.009 2.508 -2.290 423 HG21 VAL 635 HG21 VAL 635 3.033 2.381 -2.911 424 HG22 VAL 635 HG22 VAL 635 3.052 1.548 -4.466 425 HG23 VAL 635 HG23 VAL 635 4.155 2.899 -4.175 426 H GLU 636 H GLU 636 6.331 -1.597 -3.030 427 HA GLU 636 HA GLU 636 8.611 -0.749 -1.617 428 HB2 GLU 636 HB2 GLU 636 8.985 -3.059 -0.963 429 HB3 GLU 636 HB3 GLU 636 7.298 -2.616 -0.794 430 HG2 GLU 636 HG2 GLU 636 7.123 -4.705 -1.688 431 HG3 GLU 636 HG3 GLU 636 7.059 -3.693 -3.124 432 H GLY 637 H GLY 637 8.309 -1.865 -4.853 433 HA2 GLY 637 HA2 GLY 637 11.070 -2.569 -5.251 434 HA3 GLY 637 HA3 GLY 637 9.873 -2.289 -6.506 435 H ASP 638 H ASP 638 9.243 0.393 -5.333 436 HA ASP 638 HA ASP 638 11.371 1.923 -6.594 437 HB2 ASP 638 HB2 ASP 638 8.658 2.664 -5.476 438 HB3 ASP 638 HB3 ASP 638 9.795 3.865 -6.074 439 H MET 639 H MET 639 10.384 0.982 -3.444 440 HA MET 639 HA MET 639 11.526 3.076 -1.895 441 HB2 MET 639 HB2 MET 639 10.762 0.235 -1.257 442 HB3 MET 639 HB3 MET 639 11.428 1.336 -0.052 443 HG2 MET 639 HG2 MET 639 9.565 2.824 -0.331 444 HG3 MET 639 HG3 MET 639 8.928 1.851 -1.646 445 HE1 MET 639 HE1 MET 639 9.442 -0.768 1.937 446 HE2 MET 639 HE2 MET 639 10.628 0.452 1.470 447 HE3 MET 639 HE3 MET 639 10.182 -0.825 0.337 448 H TYR 640 H TYR 640 12.872 0.351 -3.533 449 HA TYR 640 HA TYR 640 15.184 -0.065 -1.896 450 HB2 TYR 640 HB2 TYR 640 14.210 -1.835 -3.315 451 HB3 TYR 640 HB3 TYR 640 14.625 -0.903 -4.754 452 HD1 TYR 640 HD1 TYR 640 16.084 -2.702 -1.850 453 HD2 TYR 640 HD2 TYR 640 16.773 -1.095 -5.734 454 HE1 TYR 640 HE1 TYR 640 18.268 -3.825 -1.922 455 HE2 TYR 640 HE2 TYR 640 18.962 -2.214 -5.810 456 HH TYR 640 HH TYR 640 20.630 -3.105 -4.240 457 H GLU 641 H GLU 641 14.442 1.934 -4.675 458 HA GLU 641 HA GLU 641 17.214 2.697 -5.108 459 HB2 GLU 641 HB2 GLU 641 14.654 3.562 -6.465 460 HB3 GLU 641 HB3 GLU 641 16.242 4.156 -6.900 461 HG2 GLU 641 HG2 GLU 641 15.411 1.286 -7.029 462 HG3 GLU 641 HG3 GLU 641 15.409 2.389 -8.397 463 H SER 642 H SER 642 14.442 3.880 -3.401 464 HA SER 642 HA SER 642 15.462 6.608 -3.241 465 HB2 SER 642 HB2 SER 642 12.916 5.392 -2.145 466 HB3 SER 642 HB3 SER 642 13.338 7.102 -2.072 467 HG SER 642 HG SER 642 12.202 7.030 -3.887 468 H ALA 643 H ALA 643 15.006 3.787 -1.163 469 HA ALA 643 HA ALA 643 15.945 5.263 1.180 470 HB1 ALA 643 HB1 ALA 643 14.001 3.803 1.445 471 HB2 ALA 643 HB2 ALA 643 15.347 3.280 2.458 472 HB3 ALA 643 HB3 ALA 643 14.978 2.417 0.964 473 H ASN 644 H ASN 644 17.878 4.936 2.167 474 HA ASN 644 HA ASN 644 19.784 3.142 0.826 475 HB2 ASN 644 HB2 ASN 644 20.265 5.681 2.398 476 HB3 ASN 644 HB3 ASN 644 21.557 4.605 1.898 477 HD21 ASN 644 HD21 ASN 644 21.010 7.446 1.209 478 HD22 ASN 644 HD22 ASN 644 20.959 7.494 -0.517 479 H SER 645 H SER 645 17.972 3.399 3.615 480 HA SER 645 HA SER 645 19.678 1.461 5.028 481 HB2 SER 645 HB2 SER 645 19.510 2.568 7.074 482 HB3 SER 645 HB3 SER 645 19.648 3.924 5.955 483 HG SER 645 HG SER 645 17.356 2.936 7.270 484 H ARG 646 H ARG 646 18.514 0.069 6.511 485 HA ARG 646 HA ARG 646 16.047 -0.842 5.363 486 HB2 ARG 646 HB2 ARG 646 16.229 -2.697 6.928 487 HB3 ARG 646 HB3 ARG 646 17.768 -2.415 6.134 488 HG2 ARG 646 HG2 ARG 646 18.616 -1.286 8.115 489 HG3 ARG 646 HG3 ARG 646 17.057 -1.481 8.915 490 HD2 ARG 646 HD2 ARG 646 17.334 -3.946 8.728 491 HD3 ARG 646 HD3 ARG 646 18.944 -3.679 8.067 492 HE ARG 646 HE ARG 646 19.711 -3.183 10.181 493 HH11 ARG 646 HH11 ARG 646 16.200 -3.289 10.281 494 HH12 ARG 646 HH12 ARG 646 16.135 -3.224 12.010 495 HH21 ARG 646 HH21 ARG 646 19.597 -3.099 12.444 496 HH22 ARG 646 HH22 ARG 646 18.054 -3.113 13.232 497 H ASP 647 H ASP 647 16.876 1.228 7.978 498 HA ASP 647 HA ASP 647 14.373 0.978 9.399 499 HB2 ASP 647 HB2 ASP 647 16.592 3.029 9.610 500 HB3 ASP 647 HB3 ASP 647 15.191 2.965 10.672 501 H GLU 648 H GLU 648 15.627 2.875 6.772 502 HA GLU 648 HA GLU 648 13.424 4.771 6.795 503 HB2 GLU 648 HB2 GLU 648 15.799 4.368 4.960 504 HB3 GLU 648 HB3 GLU 648 14.548 5.555 4.635 505 HG2 GLU 648 HG2 GLU 648 16.206 5.524 7.148 506 HG3 GLU 648 HG3 GLU 648 16.628 6.447 5.710 507 H TYR 649 H TYR 649 14.603 2.090 4.788 508 HA TYR 649 HA TYR 649 12.671 2.010 2.802 509 HB2 TYR 649 HB2 TYR 649 14.714 0.687 2.734 510 HB3 TYR 649 HB3 TYR 649 14.208 -0.234 4.137 511 HD1 TYR 649 HD1 TYR 649 13.540 0.325 0.524 512 HD2 TYR 649 HD2 TYR 649 12.831 -2.129 3.924 513 HE1 TYR 649 HE1 TYR 649 12.533 -1.431 -0.932 514 HE2 TYR 649 HE2 TYR 649 11.835 -3.846 2.494 515 HH TYR 649 HH TYR 649 10.748 -4.086 0.409 516 H TYR 650 H TYR 650 12.640 0.193 5.878 517 HA TYR 650 HA TYR 650 9.984 -0.753 5.604 518 HB2 TYR 650 HB2 TYR 650 11.895 -0.626 7.930 519 HB3 TYR 650 HB3 TYR 650 10.283 -1.322 8.073 520 HD1 TYR 650 HD1 TYR 650 13.471 -2.306 7.944 521 HD2 TYR 650 HD2 TYR 650 9.914 -2.888 5.684 522 HE1 TYR 650 HE1 TYR 650 14.358 -4.427 7.130 523 HE2 TYR 650 HE2 TYR 650 10.793 -5.032 4.860 524 HH TYR 650 HH TYR 650 13.498 -6.558 6.222 525 H HIS 651 H HIS 651 11.187 2.303 6.615 526 HA HIS 651 HA HIS 651 8.877 2.997 8.220 527 HB2 HIS 651 HB2 HIS 651 11.096 3.978 8.720 528 HB3 HIS 651 HB3 HIS 651 11.096 4.761 7.147 529 HD1 HIS 651 HD1 HIS 651 10.282 7.099 7.142 530 HD2 HIS 651 HD2 HIS 651 8.793 4.965 10.387 531 HE1 HIS 651 HE1 HIS 651 9.009 8.772 8.522 532 HE2 HIS 651 HE2 HIS 651 8.119 7.462 10.480 533 H LEU 652 H LEU 652 10.098 3.708 4.973 534 HA LEU 652 HA LEU 652 8.163 5.485 4.065 535 HB2 LEU 652 HB2 LEU 652 9.856 3.468 2.676 536 HB3 LEU 652 HB3 LEU 652 8.821 4.562 1.804 537 HG LEU 652 HG LEU 652 11.114 5.403 3.578 538 HD11 LEU 652 HD11 LEU 652 12.224 6.113 1.515 539 HD12 LEU 652 HD12 LEU 652 10.921 5.388 0.575 540 HD13 LEU 652 HD13 LEU 652 11.973 4.369 1.555 541 HD21 LEU 652 HD21 LEU 652 9.458 7.080 3.600 542 HD22 LEU 652 HD22 LEU 652 9.173 6.909 1.871 543 HD23 LEU 652 HD23 LEU 652 10.690 7.607 2.446 544 H LEU 653 H LEU 653 8.214 1.942 3.882 545 HA LEU 653 HA LEU 653 5.653 1.712 2.638 546 HB2 LEU 653 HB2 LEU 653 7.689 0.022 2.817 547 HB3 LEU 653 HB3 LEU 653 6.791 -0.547 4.207 548 HG LEU 653 HG LEU 653 6.436 -1.658 1.864 549 HD11 LEU 653 HD11 LEU 653 4.341 -2.430 2.524 550 HD12 LEU 653 HD12 LEU 653 3.942 -0.925 3.341 551 HD13 LEU 653 HD13 LEU 653 5.137 -2.018 4.047 552 HD21 LEU 653 HD21 LEU 653 5.908 0.567 0.787 553 HD22 LEU 653 HD22 LEU 653 4.388 0.536 1.678 554 HD23 LEU 653 HD23 LEU 653 4.746 -0.725 0.499 555 H ALA 654 H ALA 654 6.655 2.044 5.946 556 HA ALA 654 HA ALA 654 4.137 1.106 7.051 557 HB1 ALA 654 HB1 ALA 654 6.374 2.543 8.468 558 HB2 ALA 654 HB2 ALA 654 6.276 0.795 8.250 559 HB3 ALA 654 HB3 ALA 654 5.048 1.636 9.196 560 H GLU 655 H GLU 655 5.649 4.211 6.274 561 HA GLU 655 HA GLU 655 3.493 5.700 7.495 562 HB2 GLU 655 HB2 GLU 655 4.633 7.711 6.853 563 HB3 GLU 655 HB3 GLU 655 5.822 6.594 7.497 564 HG2 GLU 655 HG2 GLU 655 6.481 6.022 5.193 565 HG3 GLU 655 HG3 GLU 655 5.344 7.227 4.590 566 H LYS 656 H LYS 656 4.245 4.443 4.347 567 HA LYS 656 HA LYS 656 2.162 5.808 2.941 568 HB2 LYS 656 HB2 LYS 656 3.565 3.162 2.461 569 HB3 LYS 656 HB3 LYS 656 2.284 3.765 1.420 570 HG2 LYS 656 HG2 LYS 656 3.591 5.611 0.700 571 HG3 LYS 656 HG3 LYS 656 4.827 5.294 1.922 572 HD2 LYS 656 HD2 LYS 656 4.790 2.926 0.539 573 HD3 LYS 656 HD3 LYS 656 4.433 4.086 -0.738 574 HE2 LYS 656 HE2 LYS 656 6.718 4.566 1.141 575 HE3 LYS 656 HE3 LYS 656 6.905 3.453 -0.212 576 HZ1 LYS 656 HZ1 LYS 656 6.101 6.306 -0.423 577 HZ2 LYS 656 HZ2 LYS 656 6.301 5.242 -1.721 578 HZ3 LYS 656 HZ3 LYS 656 7.635 5.687 -0.782 579 H ILE 657 H ILE 657 2.432 3.013 4.998 580 HA ILE 657 HA ILE 657 -0.212 2.000 4.719 581 HB ILE 657 HB ILE 657 2.112 1.528 6.525 582 HG12 ILE 657 HG12 ILE 657 0.193 -0.408 5.208 583 HG13 ILE 657 HG13 ILE 657 1.578 0.292 4.386 584 HG21 ILE 657 HG21 ILE 657 1.012 0.294 8.205 585 HG22 ILE 657 HG22 ILE 657 -0.542 0.389 7.376 586 HG23 ILE 657 HG23 ILE 657 0.154 1.838 8.108 587 HD11 ILE 657 HD11 ILE 657 3.072 -0.810 6.003 588 HD12 ILE 657 HD12 ILE 657 2.060 -1.963 5.129 589 HD13 ILE 657 HD13 ILE 657 1.665 -1.528 6.791 590 H TYR 658 H TYR 658 1.272 4.530 6.594 591 HA TYR 658 HA TYR 658 -1.049 4.978 8.258 592 HB2 TYR 658 HB2 TYR 658 1.188 5.364 9.171 593 HB3 TYR 658 HB3 TYR 658 1.517 6.550 7.920 594 HD1 TYR 658 HD1 TYR 658 -0.777 5.891 10.789 595 HD2 TYR 658 HD2 TYR 658 1.080 8.810 8.309 596 HE1 TYR 658 HE1 TYR 658 -1.649 7.675 12.242 597 HE2 TYR 658 HE2 TYR 658 0.216 10.598 9.757 598 HH TYR 658 HH TYR 658 -1.117 10.004 12.818 599 H LYS 659 H LYS 659 0.352 6.253 5.292 600 HA LYS 659 HA LYS 659 -1.168 8.651 5.180 601 HB2 LYS 659 HB2 LYS 659 0.937 8.382 3.948 602 HB3 LYS 659 HB3 LYS 659 0.152 7.235 2.883 603 HG2 LYS 659 HG2 LYS 659 -1.359 8.927 2.120 604 HG3 LYS 659 HG3 LYS 659 -0.656 10.103 3.224 605 HD2 LYS 659 HD2 LYS 659 1.500 9.949 2.068 606 HD3 LYS 659 HD3 LYS 659 0.857 8.753 0.940 607 HE2 LYS 659 HE2 LYS 659 -0.726 10.398 0.105 608 HE3 LYS 659 HE3 LYS 659 -0.136 11.590 1.258 609 HZ1 LYS 659 HZ1 LYS 659 0.825 11.926 -0.935 610 HZ2 LYS 659 HZ2 LYS 659 1.465 10.360 -0.924 611 HZ3 LYS 659 HZ3 LYS 659 2.027 11.510 0.182 612 H ILE 660 H ILE 660 -1.557 5.480 3.757 613 HA ILE 660 HA ILE 660 -3.892 6.082 2.247 614 HB ILE 660 HB ILE 660 -2.844 3.407 3.221 615 HG12 ILE 660 HG12 ILE 660 -2.788 4.641 0.449 616 HG13 ILE 660 HG13 ILE 660 -1.443 4.724 1.577 617 HG21 ILE 660 HG21 ILE 660 -4.359 2.455 1.456 618 HG22 ILE 660 HG22 ILE 660 -5.119 4.038 1.334 619 HG23 ILE 660 HG23 ILE 660 -5.198 3.138 2.848 620 HD11 ILE 660 HD11 ILE 660 -1.131 2.349 1.476 621 HD12 ILE 660 HD12 ILE 660 -1.215 2.975 -0.171 622 HD13 ILE 660 HD13 ILE 660 -2.609 2.152 0.528 623 H GLN 661 H GLN 661 -3.348 5.013 5.539 624 HA GLN 661 HA GLN 661 -6.099 4.761 6.287 625 HB2 GLN 661 HB2 GLN 661 -3.546 5.085 7.860 626 HB3 GLN 661 HB3 GLN 661 -5.113 4.924 8.630 627 HG2 GLN 661 HG2 GLN 661 -5.387 2.718 7.646 628 HG3 GLN 661 HG3 GLN 661 -3.871 2.889 6.785 629 HE21 GLN 661 HE21 GLN 661 -3.418 4.271 9.772 630 HE22 GLN 661 HE22 GLN 661 -2.765 2.905 10.606 631 H LYS 662 H LYS 662 -3.965 7.408 5.848 632 HA LYS 662 HA LYS 662 -5.208 9.267 7.640 633 HB2 LYS 662 HB2 LYS 662 -2.805 9.091 7.287 634 HB3 LYS 662 HB3 LYS 662 -3.009 9.367 5.590 635 HG2 LYS 662 HG2 LYS 662 -3.656 11.667 6.054 636 HG3 LYS 662 HG3 LYS 662 -3.449 11.344 7.736 637 HD2 LYS 662 HD2 LYS 662 -1.073 10.817 7.244 638 HD3 LYS 662 HD3 LYS 662 -1.333 11.435 5.626 639 HE2 LYS 662 HE2 LYS 662 -1.681 12.967 8.194 640 HE3 LYS 662 HE3 LYS 662 -0.313 13.077 7.104 641 HZ1 LYS 662 HZ1 LYS 662 -1.884 14.884 6.749 642 HZ2 LYS 662 HZ2 LYS 662 -3.113 13.771 6.409 643 HZ3 LYS 662 HZ3 LYS 662 -1.780 13.900 5.376 644 H GLU 663 H GLU 663 -4.831 8.819 4.144 645 HA GLU 663 HA GLU 663 -6.224 11.094 3.293 646 HB2 GLU 663 HB2 GLU 663 -5.564 8.507 1.905 647 HB3 GLU 663 HB3 GLU 663 -6.358 9.833 1.104 648 HG2 GLU 663 HG2 GLU 663 -4.444 11.252 1.414 649 HG3 GLU 663 HG3 GLU 663 -3.648 10.006 2.370 650 H LEU 664 H LEU 664 -7.392 7.766 3.752 651 HA LEU 664 HA LEU 664 -10.061 8.145 2.974 652 HB2 LEU 664 HB2 LEU 664 -8.888 6.259 5.015 653 HB3 LEU 664 HB3 LEU 664 -10.580 6.249 4.588 654 HG LEU 664 HG LEU 664 -8.311 5.670 2.670 655 HD11 LEU 664 HD11 LEU 664 -8.595 3.951 4.451 656 HD12 LEU 664 HD12 LEU 664 -8.837 3.364 2.808 657 HD13 LEU 664 HD13 LEU 664 -10.230 3.676 3.844 658 HD21 LEU 664 HD21 LEU 664 -11.271 5.320 2.303 659 HD22 LEU 664 HD22 LEU 664 -10.017 4.883 1.143 660 HD23 LEU 664 HD23 LEU 664 -10.284 6.578 1.559 661 H GLU 665 H GLU 665 -8.443 9.039 5.950 662 HA GLU 665 HA GLU 665 -10.848 9.601 7.431 663 HB2 GLU 665 HB2 GLU 665 -7.945 10.256 7.916 664 HB3 GLU 665 HB3 GLU 665 -9.230 10.807 8.981 665 HG2 GLU 665 HG2 GLU 665 -9.866 8.480 9.410 666 HG3 GLU 665 HG3 GLU 665 -8.561 7.938 8.356 667 H GLU 666 H GLU 666 -8.870 11.330 5.172 668 HA GLU 666 HA GLU 666 -9.917 13.946 5.752 669 HB2 GLU 666 HB2 GLU 666 -8.354 12.813 3.430 670 HB3 GLU 666 HB3 GLU 666 -8.928 14.474 3.451 671 HG2 GLU 666 HG2 GLU 666 -7.050 13.235 5.451 672 HG3 GLU 666 HG3 GLU 666 -6.598 14.318 4.139 673 H LYS 667 H LYS 667 -10.909 11.208 3.899 674 HA LYS 667 HA LYS 667 -12.931 12.628 2.368 675 HB2 LYS 667 HB2 LYS 667 -12.450 9.653 2.648 676 HB3 LYS 667 HB3 LYS 667 -13.558 10.412 1.519 677 HG2 LYS 667 HG2 LYS 667 -10.566 10.774 1.512 678 HG3 LYS 667 HG3 LYS 667 -11.475 9.693 0.451 679 HD2 LYS 667 HD2 LYS 667 -12.659 11.602 -0.498 680 HD3 LYS 667 HD3 LYS 667 -11.796 12.690 0.583 681 HE2 LYS 667 HE2 LYS 667 -10.417 10.887 -1.370 682 HE3 LYS 667 HE3 LYS 667 -10.937 12.513 -1.798 683 HZ1 LYS 667 HZ1 LYS 667 -8.618 12.477 -1.135 684 HZ2 LYS 667 HZ2 LYS 667 -9.022 11.799 0.362 685 HZ3 LYS 667 HZ3 LYS 667 -9.526 13.369 -0.018 686 H ARG 668 H ARG 668 -12.617 11.190 5.432 687 HA ARG 668 HA ARG 668 -15.373 10.417 5.815 688 HB2 ARG 668 HB2 ARG 668 -12.900 10.468 7.524 689 HB3 ARG 668 HB3 ARG 668 -14.462 10.192 8.262 690 HG2 ARG 668 HG2 ARG 668 -14.790 8.216 6.878 691 HG3 ARG 668 HG3 ARG 668 -13.225 8.495 6.106 692 HD2 ARG 668 HD2 ARG 668 -12.135 8.326 8.284 693 HD3 ARG 668 HD3 ARG 668 -13.690 8.006 9.041 694 HE ARG 668 HE ARG 668 -12.090 6.150 7.519 695 HH11 ARG 668 HH11 ARG 668 -15.323 6.829 8.720 696 HH12 ARG 668 HH12 ARG 668 -15.823 5.172 8.639 697 HH21 ARG 668 HH21 ARG 668 -12.770 3.989 7.423 698 HH22 ARG 668 HH22 ARG 668 -14.380 3.568 7.906 699 H ARG 669 H ARG 669 -13.540 13.306 6.152 700 HA ARG 669 HA ARG 669 -15.244 14.524 8.158 701 HB2 ARG 669 HB2 ARG 669 -12.937 15.608 6.525 702 HB3 ARG 669 HB3 ARG 669 -13.782 16.529 7.756 703 HG2 ARG 669 HG2 ARG 669 -13.061 14.941 9.457 704 HG3 ARG 669 HG3 ARG 669 -12.227 13.989 8.227 705 HD2 ARG 669 HD2 ARG 669 -10.873 16.002 7.705 706 HD3 ARG 669 HD3 ARG 669 -11.624 16.819 9.074 707 HE ARG 669 HE ARG 669 -10.601 14.542 10.157 708 HH11 ARG 669 HH11 ARG 669 -9.166 17.119 8.245 709 HH12 ARG 669 HH12 ARG 669 -7.606 16.948 8.979 710 HH21 ARG 669 HH21 ARG 669 -8.551 14.340 11.102 711 HH22 ARG 669 HH22 ARG 669 -7.260 15.377 10.592 712 H SER 670 H SER 670 -15.031 14.381 4.694 713 HA SER 670 HA SER 670 -16.813 16.650 4.292 714 HB2 SER 670 HB2 SER 670 -16.518 16.112 1.873 715 HB3 SER 670 HB3 SER 670 -15.008 16.456 2.714 716 HG SER 670 HG SER 670 -14.572 14.637 1.618 717 H ARG 671 H ARG 671 -16.906 13.155 4.314 718 HA ARG 671 HA ARG 671 -19.784 13.161 4.292 719 HB2 ARG 671 HB2 ARG 671 -19.417 13.029 1.914 720 HB3 ARG 671 HB3 ARG 671 -18.255 11.724 2.126 721 HG2 ARG 671 HG2 ARG 671 -20.010 10.249 2.911 722 HG3 ARG 671 HG3 ARG 671 -21.178 11.564 2.834 723 HD2 ARG 671 HD2 ARG 671 -21.493 10.309 0.916 724 HD3 ARG 671 HD3 ARG 671 -20.642 11.762 0.398 725 HE ARG 671 HE ARG 671 -18.913 9.528 0.970 726 HH11 ARG 671 HH11 ARG 671 -20.825 11.061 -1.552 727 HH12 ARG 671 HH12 ARG 671 -19.906 10.349 -2.836 728 HH21 ARG 671 HH21 ARG 671 -17.726 8.613 -0.729 729 HH22 ARG 671 HH22 ARG 671 -18.156 8.965 -2.370 730 H LEU 672 H LEU 672 -19.964 12.214 6.179 731 HA LEU 672 HA LEU 672 -18.338 10.299 7.323 732 HB2 LEU 672 HB2 LEU 672 -19.899 11.711 8.600 733 HB3 LEU 672 HB3 LEU 672 -21.236 10.807 7.939 734 HG LEU 672 HG LEU 672 -20.407 8.789 9.176 735 HD11 LEU 672 HD11 LEU 672 -18.893 9.358 11.150 736 HD12 LEU 672 HD12 LEU 672 -18.441 10.781 10.189 737 HD13 LEU 672 HD13 LEU 672 -18.167 9.158 9.551 738 HD21 LEU 672 HD21 LEU 672 -21.237 9.488 11.359 739 HD22 LEU 672 HD22 LEU 672 -22.244 10.116 10.055 740 HD23 LEU 672 HD23 LEU 672 -21.101 11.178 10.876 741 H1 GLY 519 H1 GLY 519 6.547 3.618 -26.725 742 H2 GLY 519 H2 GLY 519 6.093 2.055 -26.268 743 H3 GLY 519 H3 GLY 519 7.479 2.291 -27.208 744 HA2 GLY 519 HA2 GLY 519 7.101 3.206 -24.409 745 HA3 GLY 519 HA3 GLY 519 8.068 1.828 -24.911 746 H SER 520 H SER 520 7.743 5.337 -25.279 747 HA SER 520 HA SER 520 10.648 5.505 -25.751 748 HB2 SER 520 HB2 SER 520 9.499 6.335 -27.690 749 HB3 SER 520 HB3 SER 520 8.411 7.307 -26.701 750 HG SER 520 HG SER 520 11.219 7.679 -26.908 751 HA PRO 521 HA PRO 521 10.710 7.622 -21.773 752 HB2 PRO 521 HB2 PRO 521 13.314 8.431 -21.798 753 HB3 PRO 521 HB3 PRO 521 12.822 6.772 -21.470 754 HG2 PRO 521 HG2 PRO 521 13.832 7.928 -23.948 755 HG3 PRO 521 HG3 PRO 521 14.174 6.474 -23.286 756 HD2 PRO 521 HD2 PRO 521 12.549 6.747 -25.263 757 HD3 PRO 521 HD3 PRO 521 12.425 5.522 -24.190 758 H GLY 522 H GLY 522 10.314 9.647 -21.043 759 HA2 GLY 522 HA2 GLY 522 10.930 11.922 -22.825 760 HA3 GLY 522 HA3 GLY 522 9.339 11.737 -22.105 761 H TYR 523 H TYR 523 9.413 13.682 -21.015 762 HA TYR 523 HA TYR 523 11.361 13.858 -18.810 763 HB2 TYR 523 HB2 TYR 523 9.987 16.138 -20.254 764 HB3 TYR 523 HB3 TYR 523 11.102 16.308 -18.905 765 HD1 TYR 523 HD1 TYR 523 10.779 15.728 -22.484 766 HD2 TYR 523 HD2 TYR 523 13.514 15.847 -19.224 767 HE1 TYR 523 HE1 TYR 523 12.655 15.832 -24.068 768 HE2 TYR 523 HE2 TYR 523 15.397 15.954 -20.802 769 HH TYR 523 HH TYR 523 14.989 16.588 -24.112 770 HA PRO 524 HA PRO 524 7.411 13.462 -16.446 771 HB2 PRO 524 HB2 PRO 524 8.592 12.882 -14.065 772 HB3 PRO 524 HB3 PRO 524 8.254 11.654 -15.290 773 HG2 PRO 524 HG2 PRO 524 10.794 13.039 -14.739 774 HG3 PRO 524 HG3 PRO 524 10.554 11.448 -15.023 775 HD2 PRO 524 HD2 PRO 524 11.379 12.990 -16.971 776 HD3 PRO 524 HD3 PRO 524 10.347 11.768 -17.300 777 H ASN 525 H ASN 525 6.387 15.126 -15.531 778 HA ASN 525 HA ASN 525 7.982 17.221 -14.210 779 HB2 ASN 525 HB2 ASN 525 5.553 17.607 -15.979 780 HB3 ASN 525 HB3 ASN 525 6.321 18.888 -15.052 781 HD21 ASN 525 HD21 ASN 525 6.100 17.535 -18.023 782 HD22 ASN 525 HD22 ASN 525 7.597 18.061 -18.704 783 H GLY 526 H GLY 526 4.915 15.476 -14.259 784 HA2 GLY 526 HA2 GLY 526 4.377 16.471 -11.528 785 HA3 GLY 526 HA3 GLY 526 3.102 16.170 -12.696 786 H LEU 527 H LEU 527 3.753 13.755 -13.731 787 HA LEU 527 HA LEU 527 3.605 11.961 -11.398 788 HB2 LEU 527 HB2 LEU 527 2.369 11.615 -14.140 789 HB3 LEU 527 HB3 LEU 527 2.265 10.466 -12.826 790 HG LEU 527 HG LEU 527 1.085 13.245 -12.721 791 HD11 LEU 527 HD11 LEU 527 -1.079 12.087 -12.995 792 HD12 LEU 527 HD12 LEU 527 -0.209 10.587 -13.318 793 HD13 LEU 527 HD13 LEU 527 -0.050 11.953 -14.421 794 HD21 LEU 527 HD21 LEU 527 1.627 12.262 -10.526 795 HD22 LEU 527 HD22 LEU 527 0.671 10.838 -10.941 796 HD23 LEU 527 HD23 LEU 527 -0.112 12.409 -10.774 797 H LEU 528 H LEU 528 5.207 10.586 -11.171 798 HA LEU 528 HA LEU 528 6.778 9.781 -13.525 799 HB2 LEU 528 HB2 LEU 528 7.993 11.184 -11.845 800 HB3 LEU 528 HB3 LEU 528 7.708 9.943 -10.648 801 HG LEU 528 HG LEU 528 9.275 8.481 -11.596 802 HD11 LEU 528 HD11 LEU 528 10.200 8.771 -13.859 803 HD12 LEU 528 HD12 LEU 528 9.128 10.151 -14.103 804 HD13 LEU 528 HD13 LEU 528 8.452 8.539 -13.874 805 HD21 LEU 528 HD21 LEU 528 10.382 10.444 -10.605 806 HD22 LEU 528 HD22 LEU 528 10.377 11.233 -12.182 807 HD23 LEU 528 HD23 LEU 528 11.319 9.764 -11.936 808 H SER 529 H SER 529 4.567 8.777 -11.279 809 HA SER 529 HA SER 529 4.945 5.975 -11.859 810 HB2 SER 529 HB2 SER 529 5.292 5.150 -9.651 811 HB3 SER 529 HB3 SER 529 6.463 6.450 -9.859 812 HG SER 529 HG SER 529 5.535 7.490 -8.292 813 H GLY 530 H GLY 530 3.245 8.284 -9.737 814 HA2 GLY 530 HA2 GLY 530 0.899 8.709 -9.966 815 HA3 GLY 530 HA3 GLY 530 0.695 7.072 -10.573 816 H ASP 531 H ASP 531 1.029 9.080 -7.746 817 HA ASP 531 HA ASP 531 0.059 6.858 -6.082 818 HB2 ASP 531 HB2 ASP 531 2.146 8.886 -5.228 819 HB3 ASP 531 HB3 ASP 531 1.493 7.595 -4.227 820 H GLU 532 H GLU 532 -0.439 9.894 -7.264 821 HA GLU 532 HA GLU 532 -1.920 10.920 -4.994 822 HB2 GLU 532 HB2 GLU 532 -1.055 12.089 -7.614 823 HB3 GLU 532 HB3 GLU 532 -2.161 12.913 -6.554 824 HG2 GLU 532 HG2 GLU 532 -0.376 12.714 -4.777 825 HG3 GLU 532 HG3 GLU 532 0.708 12.219 -6.071 826 H ASP 533 H ASP 533 -2.483 8.981 -7.515 827 HA ASP 533 HA ASP 533 -5.145 9.931 -8.233 828 HB2 ASP 533 HB2 ASP 533 -3.474 7.630 -9.279 829 HB3 ASP 533 HB3 ASP 533 -5.074 8.042 -9.882 830 H PHE 534 H PHE 534 -3.791 7.899 -5.905 831 HA PHE 534 HA PHE 534 -5.660 5.798 -5.820 832 HB2 PHE 534 HB2 PHE 534 -3.818 6.859 -3.671 833 HB3 PHE 534 HB3 PHE 534 -4.724 5.353 -3.550 834 HD1 PHE 534 HD1 PHE 534 -4.247 5.112 -6.705 835 HD2 PHE 534 HD2 PHE 534 -1.772 5.372 -3.275 836 HE1 PHE 534 HE1 PHE 534 -2.460 3.912 -7.919 837 HE2 PHE 534 HE2 PHE 534 0.019 4.173 -4.459 838 HZ PHE 534 HZ PHE 534 -0.320 3.440 -6.786 839 H SER 535 H SER 535 -6.025 8.961 -5.034 840 HA SER 535 HA SER 535 -7.767 8.810 -2.774 841 HB2 SER 535 HB2 SER 535 -8.229 11.188 -3.220 842 HB3 SER 535 HB3 SER 535 -6.500 10.851 -3.276 843 HG SER 535 HG SER 535 -7.202 12.160 -5.030 844 H SER 536 H SER 536 -8.256 8.792 -6.257 845 HA SER 536 HA SER 536 -11.146 8.915 -6.009 846 HB2 SER 536 HB2 SER 536 -11.143 8.885 -8.470 847 HB3 SER 536 HB3 SER 536 -10.133 10.155 -7.800 848 HG SER 536 HG SER 536 -9.327 8.628 -9.586 849 H ILE 537 H ILE 537 -8.654 6.534 -6.557 850 HA ILE 537 HA ILE 537 -10.529 4.548 -7.541 851 HB ILE 537 HB ILE 537 -7.546 4.369 -7.082 852 HG12 ILE 537 HG12 ILE 537 -9.046 4.433 -9.716 853 HG13 ILE 537 HG13 ILE 537 -8.310 5.845 -8.980 854 HG21 ILE 537 HG21 ILE 537 -9.339 2.299 -8.348 855 HG22 ILE 537 HG22 ILE 537 -8.500 2.155 -6.804 856 HG23 ILE 537 HG23 ILE 537 -7.577 2.241 -8.304 857 HD11 ILE 537 HD11 ILE 537 -6.914 4.977 -10.759 858 HD12 ILE 537 HD12 ILE 537 -6.858 3.395 -9.983 859 HD13 ILE 537 HD13 ILE 537 -6.097 4.784 -9.209 860 H ALA 538 H ALA 538 -8.786 5.231 -4.548 861 HA ALA 538 HA ALA 538 -9.427 2.664 -3.423 862 HB1 ALA 538 HB1 ALA 538 -8.244 5.069 -2.055 863 HB2 ALA 538 HB2 ALA 538 -7.327 3.778 -2.832 864 HB3 ALA 538 HB3 ALA 538 -8.306 3.430 -1.407 865 H ASP 539 H ASP 539 -11.050 5.533 -3.746 866 HA ASP 539 HA ASP 539 -12.920 4.941 -1.562 867 HB2 ASP 539 HB2 ASP 539 -12.507 7.394 -3.278 868 HB3 ASP 539 HB3 ASP 539 -13.934 7.197 -2.266 869 H MET 540 H MET 540 -12.401 4.345 -4.775 870 HA MET 540 HA MET 540 -15.214 3.936 -5.475 871 HB2 MET 540 HB2 MET 540 -13.667 4.985 -7.105 872 HB3 MET 540 HB3 MET 540 -12.678 3.541 -7.080 873 HG2 MET 540 HG2 MET 540 -14.489 2.245 -8.054 874 HG3 MET 540 HG3 MET 540 -15.545 3.653 -8.013 875 HE1 MET 540 HE1 MET 540 -14.352 5.854 -10.911 876 HE2 MET 540 HE2 MET 540 -14.161 6.098 -9.175 877 HE3 MET 540 HE3 MET 540 -15.669 5.444 -9.812 878 H ASP 541 H ASP 541 -12.267 2.270 -4.674 879 HA ASP 541 HA ASP 541 -13.316 -0.367 -5.288 880 HB2 ASP 541 HB2 ASP 541 -10.646 0.717 -4.468 881 HB3 ASP 541 HB3 ASP 541 -10.981 -0.999 -4.309 882 H PHE 542 H PHE 542 -13.067 1.719 -2.527 883 HA PHE 542 HA PHE 542 -13.022 -0.312 -0.502 884 HB2 PHE 542 HB2 PHE 542 -12.253 2.025 -0.155 885 HB3 PHE 542 HB3 PHE 542 -13.915 2.576 -0.302 886 HD1 PHE 542 HD1 PHE 542 -11.723 0.363 1.757 887 HD2 PHE 542 HD2 PHE 542 -15.248 2.747 1.575 888 HE1 PHE 542 HE1 PHE 542 -12.059 0.052 4.176 889 HE2 PHE 542 HE2 PHE 542 -15.588 2.442 3.987 890 HZ PHE 542 HZ PHE 542 -13.990 1.094 5.294 891 H SER 543 H SER 543 -15.518 1.262 -2.359 892 HA SER 543 HA SER 543 -17.710 0.401 -0.691 893 HB2 SER 543 HB2 SER 543 -19.137 1.416 -2.390 894 HB3 SER 543 HB3 SER 543 -17.813 2.501 -1.984 895 HG SER 543 HG SER 543 -17.717 0.730 -4.188 896 H ALA 544 H ALA 544 -15.976 -0.830 -3.437 897 HA ALA 544 HA ALA 544 -17.991 -2.758 -4.206 898 HB1 ALA 544 HB1 ALA 544 -15.125 -2.502 -5.112 899 HB2 ALA 544 HB2 ALA 544 -16.515 -1.732 -5.877 900 HB3 ALA 544 HB3 ALA 544 -16.376 -3.490 -5.867 901 H LEU 545 H LEU 545 -15.316 -2.647 -2.027 902 HA LEU 545 HA LEU 545 -14.907 -5.493 -1.873 903 HB2 LEU 545 HB2 LEU 545 -13.879 -3.227 -0.179 904 HB3 LEU 545 HB3 LEU 545 -13.365 -4.886 -0.040 905 HG LEU 545 HG LEU 545 -13.014 -3.343 -2.590 906 HD11 LEU 545 HD11 LEU 545 -10.671 -2.997 -1.867 907 HD12 LEU 545 HD12 LEU 545 -11.123 -3.558 -0.258 908 HD13 LEU 545 HD13 LEU 545 -11.839 -2.085 -0.916 909 HD21 LEU 545 HD21 LEU 545 -11.208 -5.004 -2.955 910 HD22 LEU 545 HD22 LEU 545 -12.810 -5.736 -2.846 911 HD23 LEU 545 HD23 LEU 545 -11.705 -5.823 -1.475 912 H LEU 546 H LEU 546 -17.086 -3.276 -0.444 913 HA LEU 546 HA LEU 546 -17.501 -4.601 2.058 914 HB2 LEU 546 HB2 LEU 546 -19.198 -2.653 0.508 915 HB3 LEU 546 HB3 LEU 546 -19.670 -3.283 2.064 916 HG LEU 546 HG LEU 546 -17.166 -1.676 1.571 917 HD11 LEU 546 HD11 LEU 546 -19.815 -0.805 2.724 918 HD12 LEU 546 HD12 LEU 546 -19.180 -0.347 1.144 919 HD13 LEU 546 HD13 LEU 546 -18.357 0.181 2.613 920 HD21 LEU 546 HD21 LEU 546 -17.171 -1.437 4.023 921 HD22 LEU 546 HD22 LEU 546 -17.008 -3.117 3.518 922 HD23 LEU 546 HD23 LEU 546 -18.557 -2.523 4.109 923 H SER 547 H SER 547 -18.783 -4.944 -1.144 924 HA SER 547 HA SER 547 -20.954 -6.694 -0.471 925 HB2 SER 547 HB2 SER 547 -21.211 -7.003 -2.871 926 HB3 SER 547 HB3 SER 547 -20.946 -5.297 -2.523 927 HG SER 547 HG SER 547 -18.918 -7.109 -3.340 928 H GLN 548 H GLN 548 -17.589 -7.143 -0.769 929 HA GLN 548 HA GLN 548 -17.555 -9.844 -1.686 930 HB2 GLN 548 HB2 GLN 548 -15.441 -8.215 -0.291 931 HB3 GLN 548 HB3 GLN 548 -15.175 -9.823 -0.943 932 HG2 GLN 548 HG2 GLN 548 -15.553 -9.041 -3.183 933 HG3 GLN 548 HG3 GLN 548 -16.052 -7.469 -2.588 934 HE21 GLN 548 HE21 GLN 548 -14.029 -7.890 -4.497 935 HE22 GLN 548 HE22 GLN 548 -12.535 -7.348 -3.823 936 H ILE 549 H ILE 549 -18.423 -8.517 1.246 937 HA ILE 549 HA ILE 549 -17.516 -10.745 2.905 938 HB ILE 549 HB ILE 549 -19.019 -8.219 3.651 939 HG12 ILE 549 HG12 ILE 549 -16.163 -8.957 4.361 940 HG13 ILE 549 HG13 ILE 549 -16.585 -7.954 2.985 941 HG21 ILE 549 HG21 ILE 549 -18.612 -8.814 6.006 942 HG22 ILE 549 HG22 ILE 549 -17.969 -10.373 5.486 943 HG23 ILE 549 HG23 ILE 549 -19.660 -9.974 5.186 944 HD11 ILE 549 HD11 ILE 549 -17.534 -6.280 4.527 945 HD12 ILE 549 HD12 ILE 549 -15.826 -6.592 4.833 946 HD13 ILE 549 HD13 ILE 549 -17.052 -7.289 5.891 947 H SER 550 H SER 550 -20.454 -9.472 1.457 948 HA SER 550 HA SER 550 -22.156 -11.364 2.874 949 HB2 SER 550 HB2 SER 550 -24.006 -10.256 1.614 950 HB3 SER 550 HB3 SER 550 -23.047 -9.133 2.579 951 HG SER 550 HG SER 550 -22.006 -8.465 0.715 952 H SER 551 H SER 551 -20.902 -10.820 -0.386 953 HA SER 551 HA SER 551 -21.971 -13.450 -1.168 954 HB2 SER 551 HB2 SER 551 -23.091 -11.698 -2.444 955 HB3 SER 551 HB3 SER 551 -21.537 -11.024 -2.932 956 HG SER 551 HG SER 551 -22.675 -12.489 -4.458 Start of MODEL 15 1 H1 GLY 586 H1 GLY 586 24.041 -2.868 -10.474 2 H2 GLY 586 H2 GLY 586 24.030 -1.552 -9.411 3 H3 GLY 586 H3 GLY 586 22.666 -1.889 -10.354 4 HA2 GLY 586 HA2 GLY 586 22.305 -2.601 -8.080 5 HA3 GLY 586 HA3 GLY 586 22.313 -3.965 -9.187 6 H VAL 587 H VAL 587 24.105 -2.256 -6.708 7 HA VAL 587 HA VAL 587 26.169 -4.316 -6.591 8 HB VAL 587 HB VAL 587 25.853 -1.816 -4.899 9 HG11 VAL 587 HG11 VAL 587 28.153 -3.762 -5.094 10 HG12 VAL 587 HG12 VAL 587 27.131 -3.471 -3.687 11 HG13 VAL 587 HG13 VAL 587 28.218 -2.208 -4.264 12 HG21 VAL 587 HG21 VAL 587 27.729 -0.919 -6.219 13 HG22 VAL 587 HG22 VAL 587 26.311 -1.242 -7.215 14 HG23 VAL 587 HG23 VAL 587 27.678 -2.353 -7.243 15 H ARG 588 H ARG 588 26.525 -5.648 -4.796 16 HA ARG 588 HA ARG 588 24.074 -6.353 -3.380 17 HB2 ARG 588 HB2 ARG 588 25.199 -8.131 -4.607 18 HB3 ARG 588 HB3 ARG 588 26.693 -7.833 -3.735 19 HG2 ARG 588 HG2 ARG 588 25.726 -8.636 -1.684 20 HG3 ARG 588 HG3 ARG 588 24.139 -8.778 -2.441 21 HD2 ARG 588 HD2 ARG 588 25.095 -10.965 -2.331 22 HD3 ARG 588 HD3 ARG 588 25.124 -10.449 -4.015 23 HE ARG 588 HE ARG 588 27.425 -10.440 -3.957 24 HH11 ARG 588 HH11 ARG 588 26.238 -10.832 -0.671 25 HH12 ARG 588 HH12 ARG 588 27.801 -11.221 -0.034 26 HH21 ARG 588 HH21 ARG 588 29.458 -10.952 -3.097 27 HH22 ARG 588 HH22 ARG 588 29.620 -11.289 -1.406 28 H LYS 589 H LYS 589 23.745 -5.857 -1.342 29 HA LYS 589 HA LYS 589 26.029 -5.296 0.428 30 HB2 LYS 589 HB2 LYS 589 23.439 -3.736 0.243 31 HB3 LYS 589 HB3 LYS 589 24.646 -3.506 1.493 32 HG2 LYS 589 HG2 LYS 589 26.262 -2.781 -0.197 33 HG3 LYS 589 HG3 LYS 589 25.059 -3.031 -1.458 34 HD2 LYS 589 HD2 LYS 589 23.654 -1.285 -0.463 35 HD3 LYS 589 HD3 LYS 589 24.839 -1.041 0.819 36 HE2 LYS 589 HE2 LYS 589 26.485 -0.299 -0.797 37 HE3 LYS 589 HE3 LYS 589 25.392 -0.673 -2.127 38 HZ1 LYS 589 HZ1 LYS 589 25.408 1.689 -1.644 39 HZ2 LYS 589 HZ2 LYS 589 24.940 1.398 -0.045 40 HZ3 LYS 589 HZ3 LYS 589 23.882 1.037 -1.314 41 H GLY 590 H GLY 590 24.748 -4.919 2.828 42 HA2 GLY 590 HA2 GLY 590 24.237 -7.573 3.655 43 HA3 GLY 590 HA3 GLY 590 24.008 -6.136 4.630 44 H TRP 591 H TRP 591 22.008 -4.939 2.879 45 HA TRP 591 HA TRP 591 19.706 -6.166 4.037 46 HB2 TRP 591 HB2 TRP 591 19.527 -3.856 3.892 47 HB3 TRP 591 HB3 TRP 591 20.136 -3.794 2.251 48 HD1 TRP 591 HD1 TRP 591 16.890 -4.093 4.233 49 HE1 TRP 591 HE1 TRP 591 14.898 -3.946 2.613 50 HE3 TRP 591 HE3 TRP 591 19.419 -4.382 -0.214 51 HZ2 TRP 591 HZ2 TRP 591 14.452 -3.960 -0.170 52 HZ3 TRP 591 HZ3 TRP 591 18.127 -4.313 -2.306 53 HH2 TRP 591 HH2 TRP 591 15.695 -4.108 -2.283 54 H HIS 592 H HIS 592 21.084 -6.226 0.807 55 HA HIS 592 HA HIS 592 18.888 -7.562 -0.438 56 HB2 HIS 592 HB2 HIS 592 20.657 -6.226 -1.639 57 HB3 HIS 592 HB3 HIS 592 21.789 -7.532 -1.323 58 HD1 HIS 592 HD1 HIS 592 21.319 -9.813 -2.583 59 HD2 HIS 592 HD2 HIS 592 19.004 -6.592 -3.821 60 HE1 HIS 592 HE1 HIS 592 20.332 -10.503 -4.792 61 HE2 HIS 592 HE2 HIS 592 18.984 -8.514 -5.551 62 H GLU 593 H GLU 593 21.257 -8.613 1.751 63 HA GLU 593 HA GLU 593 21.448 -11.341 0.837 64 HB2 GLU 593 HB2 GLU 593 22.491 -9.891 3.246 65 HB3 GLU 593 HB3 GLU 593 22.633 -11.634 3.098 66 HG2 GLU 593 HG2 GLU 593 23.788 -9.577 1.235 67 HG3 GLU 593 HG3 GLU 593 24.681 -10.527 2.417 68 H HIS 594 H HIS 594 19.491 -9.562 3.144 69 HA HIS 594 HA HIS 594 18.335 -12.093 4.083 70 HB2 HIS 594 HB2 HIS 594 18.230 -9.376 5.386 71 HB3 HIS 594 HB3 HIS 594 17.363 -10.785 5.981 72 HD1 HIS 594 HD1 HIS 594 19.114 -12.882 6.553 73 HD2 HIS 594 HD2 HIS 594 20.598 -9.003 6.582 74 HE1 HIS 594 HE1 HIS 594 21.194 -12.971 7.963 75 HE2 HIS 594 HE2 HIS 594 22.120 -10.630 7.898 76 H VAL 595 H VAL 595 17.510 -9.179 2.321 77 HA VAL 595 HA VAL 595 14.664 -9.633 2.542 78 HB VAL 595 HB VAL 595 16.216 -7.753 0.729 79 HG11 VAL 595 HG11 VAL 595 14.138 -8.406 -0.404 80 HG12 VAL 595 HG12 VAL 595 14.073 -6.726 0.130 81 HG13 VAL 595 HG13 VAL 595 13.214 -7.972 1.034 82 HG21 VAL 595 HG21 VAL 595 14.601 -7.388 3.238 83 HG22 VAL 595 HG22 VAL 595 15.008 -6.048 2.163 84 HG23 VAL 595 HG23 VAL 595 16.294 -6.968 2.943 85 H THR 596 H THR 596 13.485 -10.968 1.370 86 HA THR 596 HA THR 596 14.715 -12.289 -0.959 87 HB THR 596 HB THR 596 13.278 -14.236 -0.486 88 HG1 THR 596 HG1 THR 596 12.539 -13.671 2.031 89 HG21 THR 596 HG21 THR 596 14.373 -14.998 1.579 90 HG22 THR 596 HG22 THR 596 14.894 -13.347 1.912 91 HG23 THR 596 HG23 THR 596 15.513 -14.200 0.497 92 H GLN 597 H GLN 597 12.879 -13.426 -2.299 93 HA GLN 597 HA GLN 597 10.942 -11.593 -3.281 94 HB2 GLN 597 HB2 GLN 597 11.289 -14.590 -3.589 95 HB3 GLN 597 HB3 GLN 597 10.124 -13.658 -4.502 96 HG2 GLN 597 HG2 GLN 597 13.109 -13.444 -4.651 97 HG3 GLN 597 HG3 GLN 597 12.074 -14.201 -5.840 98 HE21 GLN 597 HE21 GLN 597 13.981 -11.683 -5.507 99 HE22 GLN 597 HE22 GLN 597 13.099 -10.496 -6.389 100 H ASP 598 H ASP 598 11.079 -13.682 -0.559 101 HA ASP 598 HA ASP 598 8.230 -14.061 -0.257 102 HB2 ASP 598 HB2 ASP 598 10.591 -14.738 1.512 103 HB3 ASP 598 HB3 ASP 598 8.926 -15.091 1.954 104 H LEU 599 H LEU 599 10.759 -12.119 1.442 105 HA LEU 599 HA LEU 599 9.062 -10.841 3.263 106 HB2 LEU 599 HB2 LEU 599 11.492 -10.682 3.446 107 HB3 LEU 599 HB3 LEU 599 11.584 -9.764 1.961 108 HG LEU 599 HG LEU 599 10.336 -7.910 3.088 109 HD11 LEU 599 HD11 LEU 599 10.241 -7.977 5.569 110 HD12 LEU 599 HD12 LEU 599 10.691 -9.684 5.506 111 HD13 LEU 599 HD13 LEU 599 9.172 -9.136 4.790 112 HD21 LEU 599 HD21 LEU 599 12.174 -7.260 4.676 113 HD22 LEU 599 HD22 LEU 599 12.707 -7.649 3.046 114 HD23 LEU 599 HD23 LEU 599 12.912 -8.822 4.344 115 H ARG 600 H ARG 600 9.903 -9.887 -0.067 116 HA ARG 600 HA ARG 600 8.638 -7.376 0.007 117 HB2 ARG 600 HB2 ARG 600 9.279 -9.167 -2.353 118 HB3 ARG 600 HB3 ARG 600 8.687 -7.523 -2.512 119 HG2 ARG 600 HG2 ARG 600 10.682 -6.672 -1.422 120 HG3 ARG 600 HG3 ARG 600 11.277 -8.314 -1.190 121 HD2 ARG 600 HD2 ARG 600 12.361 -7.355 -3.114 122 HD3 ARG 600 HD3 ARG 600 11.263 -8.628 -3.646 123 HE ARG 600 HE ARG 600 9.981 -6.098 -3.706 124 HH11 ARG 600 HH11 ARG 600 12.311 -8.020 -5.502 125 HH12 ARG 600 HH12 ARG 600 11.975 -7.231 -7.007 126 HH21 ARG 600 HH21 ARG 600 9.561 -5.079 -5.692 127 HH22 ARG 600 HH22 ARG 600 10.421 -5.570 -7.111 128 H SER 601 H SER 601 7.328 -10.553 -0.371 129 HA SER 601 HA SER 601 4.745 -9.674 -1.339 130 HB2 SER 601 HB2 SER 601 4.123 -11.996 -1.265 131 HB3 SER 601 HB3 SER 601 5.783 -11.935 -1.849 132 HG SER 601 HG SER 601 6.341 -13.093 -0.202 133 H HIS 602 H HIS 602 6.291 -10.383 1.716 134 HA HIS 602 HA HIS 602 3.907 -10.302 3.325 135 HB2 HIS 602 HB2 HIS 602 6.846 -10.179 4.016 136 HB3 HIS 602 HB3 HIS 602 5.570 -10.248 5.211 137 HD1 HIS 602 HD1 HIS 602 7.613 -12.455 5.252 138 HD2 HIS 602 HD2 HIS 602 4.150 -12.645 2.962 139 HE1 HIS 602 HE1 HIS 602 7.217 -14.903 4.836 140 HE2 HIS 602 HE2 HIS 602 5.164 -14.989 3.376 141 H LEU 603 H LEU 603 6.144 -8.018 2.065 142 HA LEU 603 HA LEU 603 5.430 -5.816 3.808 143 HB2 LEU 603 HB2 LEU 603 6.976 -6.026 1.217 144 HB3 LEU 603 HB3 LEU 603 6.670 -4.514 2.018 145 HG LEU 603 HG LEU 603 8.344 -6.766 3.144 146 HD11 LEU 603 HD11 LEU 603 10.220 -5.242 2.817 147 HD12 LEU 603 HD12 LEU 603 9.143 -4.136 1.949 148 HD13 LEU 603 HD13 LEU 603 9.466 -5.749 1.301 149 HD21 LEU 603 HD21 LEU 603 9.166 -4.960 4.698 150 HD22 LEU 603 HD22 LEU 603 7.565 -5.628 5.021 151 HD23 LEU 603 HD23 LEU 603 7.727 -4.053 4.241 152 H VAL 604 H VAL 604 4.609 -6.999 0.595 153 HA VAL 604 HA VAL 604 2.697 -4.989 -0.047 154 HB VAL 604 HB VAL 604 3.343 -7.707 -1.213 155 HG11 VAL 604 HG11 VAL 604 1.692 -5.919 -2.847 156 HG12 VAL 604 HG12 VAL 604 0.853 -6.652 -1.478 157 HG13 VAL 604 HG13 VAL 604 1.637 -7.672 -2.685 158 HG21 VAL 604 HG21 VAL 604 4.930 -5.847 -1.553 159 HG22 VAL 604 HG22 VAL 604 3.633 -4.929 -2.341 160 HG23 VAL 604 HG23 VAL 604 4.220 -6.437 -3.057 161 H HIS 605 H HIS 605 2.607 -8.074 1.647 162 HA HIS 605 HA HIS 605 -0.269 -8.254 1.749 163 HB2 HIS 605 HB2 HIS 605 1.247 -10.251 1.835 164 HB3 HIS 605 HB3 HIS 605 1.769 -9.733 3.432 165 HD1 HIS 605 HD1 HIS 605 -1.299 -11.019 1.635 166 HD2 HIS 605 HD2 HIS 605 0.119 -10.492 5.508 167 HE1 HIS 605 HE1 HIS 605 -2.979 -12.148 3.128 168 HE2 HIS 605 HE2 HIS 605 -2.089 -11.837 5.465 169 H LYS 606 H LYS 606 2.147 -6.605 3.497 170 HA LYS 606 HA LYS 606 0.568 -6.119 5.907 171 HB2 LYS 606 HB2 LYS 606 3.295 -5.466 4.890 172 HB3 LYS 606 HB3 LYS 606 2.591 -4.331 6.027 173 HG2 LYS 606 HG2 LYS 606 2.306 -6.198 7.641 174 HG3 LYS 606 HG3 LYS 606 3.149 -7.251 6.505 175 HD2 LYS 606 HD2 LYS 606 5.127 -5.866 6.603 176 HD3 LYS 606 HD3 LYS 606 4.304 -4.748 7.709 177 HE2 LYS 606 HE2 LYS 606 4.036 -6.594 9.332 178 HE3 LYS 606 HE3 LYS 606 4.927 -7.642 8.245 179 HZ1 LYS 606 HZ1 LYS 606 5.998 -5.188 9.512 180 HZ2 LYS 606 HZ2 LYS 606 6.856 -6.213 8.476 181 HZ3 LYS 606 HZ3 LYS 606 6.347 -6.773 9.989 182 H LEU 607 H LEU 607 1.113 -4.881 2.827 183 HA LEU 607 HA LEU 607 0.377 -2.133 3.275 184 HB2 LEU 607 HB2 LEU 607 2.245 -2.623 1.958 185 HB3 LEU 607 HB3 LEU 607 1.388 -3.837 1.071 186 HG LEU 607 HG LEU 607 0.289 -2.177 -0.279 187 HD11 LEU 607 HD11 LEU 607 -0.096 -0.394 1.373 188 HD12 LEU 607 HD12 LEU 607 0.717 0.207 -0.082 189 HD13 LEU 607 HD13 LEU 607 1.639 -0.064 1.402 190 HD21 LEU 607 HD21 LEU 607 2.188 -1.300 -1.381 191 HD22 LEU 607 HD22 LEU 607 2.634 -2.867 -0.709 192 HD23 LEU 607 HD23 LEU 607 3.154 -1.382 0.094 193 H VAL 608 H VAL 608 -0.930 -4.998 1.644 194 HA VAL 608 HA VAL 608 -3.282 -3.727 0.580 195 HB VAL 608 HB VAL 608 -2.478 -6.636 0.924 196 HG11 VAL 608 HG11 VAL 608 -4.439 -7.261 -0.448 197 HG12 VAL 608 HG12 VAL 608 -5.039 -5.610 -0.305 198 HG13 VAL 608 HG13 VAL 608 -4.900 -6.621 1.132 199 HG21 VAL 608 HG21 VAL 608 -2.344 -6.619 -1.499 200 HG22 VAL 608 HG22 VAL 608 -1.353 -5.322 -0.830 201 HG23 VAL 608 HG23 VAL 608 -2.924 -4.954 -1.544 202 H GLN 609 H GLN 609 -2.502 -5.186 3.691 203 HA GLN 609 HA GLN 609 -5.237 -5.464 4.546 204 HB2 GLN 609 HB2 GLN 609 -2.680 -5.532 6.158 205 HB3 GLN 609 HB3 GLN 609 -4.261 -6.034 6.709 206 HG2 GLN 609 HG2 GLN 609 -2.684 -7.312 4.501 207 HG3 GLN 609 HG3 GLN 609 -2.868 -7.918 6.147 208 HE21 GLN 609 HE21 GLN 609 -3.801 -8.519 3.159 209 HE22 GLN 609 HE22 GLN 609 -5.395 -9.134 3.412 210 H ALA 610 H ALA 610 -2.588 -3.210 4.978 211 HA ALA 610 HA ALA 610 -3.799 -1.428 6.803 212 HB1 ALA 610 HB1 ALA 610 -1.714 -0.936 4.688 213 HB2 ALA 610 HB2 ALA 610 -1.433 -1.354 6.378 214 HB3 ALA 610 HB3 ALA 610 -2.145 0.206 5.962 215 H ILE 611 H ILE 611 -4.000 -1.680 3.287 216 HA ILE 611 HA ILE 611 -5.561 0.734 2.992 217 HB ILE 611 HB ILE 611 -4.952 -1.474 0.994 218 HG12 ILE 611 HG12 ILE 611 -3.933 1.364 1.075 219 HG13 ILE 611 HG13 ILE 611 -3.068 0.023 1.778 220 HG21 ILE 611 HG21 ILE 611 -5.853 0.003 -0.723 221 HG22 ILE 611 HG22 ILE 611 -6.278 1.192 0.503 222 HG23 ILE 611 HG23 ILE 611 -7.095 -0.370 0.472 223 HD11 ILE 611 HD11 ILE 611 -3.682 0.476 -1.126 224 HD12 ILE 611 HD12 ILE 611 -2.981 -1.013 -0.493 225 HD13 ILE 611 HD13 ILE 611 -2.101 0.508 -0.347 226 H PHE 612 H PHE 612 -6.277 -2.757 2.459 227 HA PHE 612 HA PHE 612 -8.852 -2.361 3.782 228 HB2 PHE 612 HB2 PHE 612 -9.264 -2.216 1.338 229 HB3 PHE 612 HB3 PHE 612 -8.535 -3.801 1.131 230 HD1 PHE 612 HD1 PHE 612 -11.380 -1.998 2.616 231 HD2 PHE 612 HD2 PHE 612 -9.797 -5.767 1.460 232 HE1 PHE 612 HE1 PHE 612 -13.593 -3.026 2.968 233 HE2 PHE 612 HE2 PHE 612 -12.004 -6.811 1.804 234 HZ PHE 612 HZ PHE 612 -13.906 -5.436 2.558 235 HA PRO 613 HA PRO 613 -7.101 -6.082 5.842 236 HB2 PRO 613 HB2 PRO 613 -9.736 -5.906 7.212 237 HB3 PRO 613 HB3 PRO 613 -8.131 -6.140 7.903 238 HG2 PRO 613 HG2 PRO 613 -9.247 -3.824 8.089 239 HG3 PRO 613 HG3 PRO 613 -7.666 -3.890 7.686 240 HD2 PRO 613 HD2 PRO 613 -9.909 -3.452 5.854 241 HD3 PRO 613 HD3 PRO 613 -8.497 -2.631 5.872 242 H THR 614 H THR 614 -7.394 -8.239 5.466 243 HA THR 614 HA THR 614 -9.571 -8.931 3.650 244 HB THR 614 HB THR 614 -7.010 -10.400 4.180 245 HG1 THR 614 HG1 THR 614 -7.831 -8.568 2.212 246 HG21 THR 614 HG21 THR 614 -9.283 -10.990 2.302 247 HG22 THR 614 HG22 THR 614 -8.650 -12.007 3.603 248 HG23 THR 614 HG23 THR 614 -7.682 -11.713 2.156 249 HA PRO 615 HA PRO 615 -11.400 -11.631 6.857 250 HB2 PRO 615 HB2 PRO 615 -13.370 -11.791 4.651 251 HB3 PRO 615 HB3 PRO 615 -13.644 -11.575 6.364 252 HG2 PRO 615 HG2 PRO 615 -13.945 -9.532 4.853 253 HG3 PRO 615 HG3 PRO 615 -13.066 -9.317 6.213 254 HD2 PRO 615 HD2 PRO 615 -11.879 -9.887 3.490 255 HD3 PRO 615 HD3 PRO 615 -11.427 -8.645 4.449 256 H ASP 616 H ASP 616 -11.735 -12.231 3.372 257 HA ASP 616 HA ASP 616 -10.726 -14.979 3.754 258 HB2 ASP 616 HB2 ASP 616 -13.227 -14.826 3.444 259 HB3 ASP 616 HB3 ASP 616 -12.927 -14.257 1.815 260 HA PRO 617 HA PRO 617 -7.781 -14.198 0.429 261 HB2 PRO 617 HB2 PRO 617 -8.188 -17.108 -0.074 262 HB3 PRO 617 HB3 PRO 617 -6.692 -16.215 0.215 263 HG2 PRO 617 HG2 PRO 617 -7.719 -17.686 2.117 264 HG3 PRO 617 HG3 PRO 617 -7.048 -16.244 2.491 265 HD2 PRO 617 HD2 PRO 617 -9.793 -16.909 2.325 266 HD3 PRO 617 HD3 PRO 617 -9.046 -15.957 3.421 267 H ALA 618 H ALA 618 -10.978 -15.442 -0.011 268 HA ALA 618 HA ALA 618 -10.888 -15.772 -2.864 269 HB1 ALA 618 HB1 ALA 618 -13.291 -16.093 -2.723 270 HB2 ALA 618 HB2 ALA 618 -13.290 -15.514 -1.058 271 HB3 ALA 618 HB3 ALA 618 -12.473 -17.023 -1.467 272 H ALA 619 H ALA 619 -11.898 -13.186 -0.663 273 HA ALA 619 HA ALA 619 -12.792 -11.388 -2.711 274 HB1 ALA 619 HB1 ALA 619 -11.821 -10.742 0.069 275 HB2 ALA 619 HB2 ALA 619 -13.477 -11.194 -0.342 276 HB3 ALA 619 HB3 ALA 619 -12.784 -9.698 -0.978 277 H LEU 620 H LEU 620 -9.740 -12.230 -1.315 278 HA LEU 620 HA LEU 620 -8.272 -9.970 -2.284 279 HB2 LEU 620 HB2 LEU 620 -7.882 -11.264 -0.179 280 HB3 LEU 620 HB3 LEU 620 -7.378 -12.614 -1.153 281 HG LEU 620 HG LEU 620 -5.392 -11.474 -1.841 282 HD11 LEU 620 HD11 LEU 620 -4.810 -9.231 -1.050 283 HD12 LEU 620 HD12 LEU 620 -6.389 -9.087 -0.280 284 HD13 LEU 620 HD13 LEU 620 -6.272 -9.188 -2.037 285 HD21 LEU 620 HD21 LEU 620 -5.870 -11.154 1.104 286 HD22 LEU 620 HD22 LEU 620 -4.296 -11.274 0.316 287 HD23 LEU 620 HD23 LEU 620 -5.413 -12.643 0.283 288 H LYS 621 H LYS 621 -9.450 -12.797 -3.704 289 HA LYS 621 HA LYS 621 -7.316 -12.960 -5.726 290 HB2 LYS 621 HB2 LYS 621 -9.477 -14.856 -4.857 291 HB3 LYS 621 HB3 LYS 621 -8.653 -15.059 -6.396 292 HG2 LYS 621 HG2 LYS 621 -6.587 -15.459 -5.348 293 HG3 LYS 621 HG3 LYS 621 -7.150 -14.867 -3.797 294 HD2 LYS 621 HD2 LYS 621 -8.683 -16.823 -3.667 295 HD3 LYS 621 HD3 LYS 621 -8.004 -17.413 -5.181 296 HE2 LYS 621 HE2 LYS 621 -5.881 -17.735 -4.216 297 HE3 LYS 621 HE3 LYS 621 -6.335 -16.890 -2.739 298 HZ1 LYS 621 HZ1 LYS 621 -7.904 -18.664 -2.258 299 HZ2 LYS 621 HZ2 LYS 621 -6.342 -19.288 -2.431 300 HZ3 LYS 621 HZ3 LYS 621 -7.467 -19.472 -3.680 301 H ASP 622 H ASP 622 -9.671 -10.990 -5.377 302 HA ASP 622 HA ASP 622 -11.381 -11.476 -7.653 303 HB2 ASP 622 HB2 ASP 622 -12.131 -10.469 -5.462 304 HB3 ASP 622 HB3 ASP 622 -11.228 -9.020 -5.891 305 H ARG 623 H ARG 623 -11.747 -9.775 -9.292 306 HA ARG 623 HA ARG 623 -9.266 -9.073 -10.580 307 HB2 ARG 623 HB2 ARG 623 -12.152 -8.667 -11.386 308 HB3 ARG 623 HB3 ARG 623 -10.791 -8.171 -12.383 309 HG2 ARG 623 HG2 ARG 623 -11.076 -10.974 -11.434 310 HG3 ARG 623 HG3 ARG 623 -11.928 -10.418 -12.881 311 HD2 ARG 623 HD2 ARG 623 -9.990 -11.222 -13.821 312 HD3 ARG 623 HD3 ARG 623 -9.536 -9.543 -13.548 313 HE ARG 623 HE ARG 623 -8.008 -10.225 -11.982 314 HH11 ARG 623 HH11 ARG 623 -10.122 -12.947 -12.671 315 HH12 ARG 623 HH12 ARG 623 -9.154 -14.071 -11.779 316 HH21 ARG 623 HH21 ARG 623 -6.758 -11.717 -10.823 317 HH22 ARG 623 HH22 ARG 623 -7.250 -13.376 -10.735 318 H ARG 624 H ARG 624 -11.986 -7.415 -9.137 319 HA ARG 624 HA ARG 624 -11.201 -4.741 -9.716 320 HB2 ARG 624 HB2 ARG 624 -13.087 -5.932 -7.693 321 HB3 ARG 624 HB3 ARG 624 -12.786 -4.205 -7.757 322 HG2 ARG 624 HG2 ARG 624 -13.524 -4.284 -10.174 323 HG3 ARG 624 HG3 ARG 624 -14.054 -5.937 -9.871 324 HD2 ARG 624 HD2 ARG 624 -15.008 -3.600 -8.223 325 HD3 ARG 624 HD3 ARG 624 -15.814 -4.099 -9.706 326 HE ARG 624 HE ARG 624 -15.529 -6.314 -7.977 327 HH11 ARG 624 HH11 ARG 624 -17.416 -3.365 -8.278 328 HH12 ARG 624 HH12 ARG 624 -18.764 -4.003 -7.399 329 HH21 ARG 624 HH21 ARG 624 -17.309 -7.127 -6.831 330 HH22 ARG 624 HH22 ARG 624 -18.703 -6.130 -6.582 331 H MET 625 H MET 625 -10.228 -6.970 -7.244 332 HA MET 625 HA MET 625 -9.049 -4.924 -5.543 333 HB2 MET 625 HB2 MET 625 -10.107 -6.846 -4.477 334 HB3 MET 625 HB3 MET 625 -9.056 -7.945 -5.364 335 HG2 MET 625 HG2 MET 625 -8.290 -7.743 -3.085 336 HG3 MET 625 HG3 MET 625 -7.113 -7.014 -4.173 337 HE1 MET 625 HE1 MET 625 -9.252 -6.667 -1.136 338 HE2 MET 625 HE2 MET 625 -8.556 -5.184 -0.489 339 HE3 MET 625 HE3 MET 625 -7.507 -6.552 -0.875 340 H GLU 626 H GLU 626 -8.023 -7.453 -7.778 341 HA GLU 626 HA GLU 626 -5.288 -7.478 -7.373 342 HB2 GLU 626 HB2 GLU 626 -6.478 -9.113 -8.748 343 HB3 GLU 626 HB3 GLU 626 -6.798 -7.883 -9.960 344 HG2 GLU 626 HG2 GLU 626 -4.475 -7.733 -10.519 345 HG3 GLU 626 HG3 GLU 626 -4.031 -8.778 -9.169 346 H ASN 627 H ASN 627 -7.185 -4.975 -8.796 347 HA ASN 627 HA ASN 627 -5.206 -3.759 -10.435 348 HB2 ASN 627 HB2 ASN 627 -7.811 -2.786 -9.286 349 HB3 ASN 627 HB3 ASN 627 -6.763 -1.722 -10.213 350 HD21 ASN 627 HD21 ASN 627 -9.360 -2.338 -10.963 351 HD22 ASN 627 HD22 ASN 627 -9.320 -3.249 -12.430 352 H LEU 628 H LEU 628 -6.100 -3.318 -7.020 353 HA LEU 628 HA LEU 628 -4.193 -1.150 -6.759 354 HB2 LEU 628 HB2 LEU 628 -5.813 -2.381 -4.531 355 HB3 LEU 628 HB3 LEU 628 -4.924 -0.884 -4.467 356 HG LEU 628 HG LEU 628 -7.549 -1.414 -5.873 357 HD11 LEU 628 HD11 LEU 628 -8.385 0.342 -4.468 358 HD12 LEU 628 HD12 LEU 628 -6.762 0.680 -3.854 359 HD13 LEU 628 HD13 LEU 628 -7.557 -0.840 -3.442 360 HD21 LEU 628 HD21 LEU 628 -7.389 0.993 -6.543 361 HD22 LEU 628 HD22 LEU 628 -6.308 -0.103 -7.416 362 HD23 LEU 628 HD23 LEU 628 -5.675 0.919 -6.119 363 H VAL 629 H VAL 629 -4.403 -4.557 -6.028 364 HA VAL 629 HA VAL 629 -2.066 -4.937 -4.533 365 HB VAL 629 HB VAL 629 -3.304 -6.702 -6.669 366 HG11 VAL 629 HG11 VAL 629 -1.181 -7.431 -4.645 367 HG12 VAL 629 HG12 VAL 629 -1.026 -7.432 -6.407 368 HG13 VAL 629 HG13 VAL 629 -2.097 -8.593 -5.615 369 HG21 VAL 629 HG21 VAL 629 -4.773 -6.229 -4.774 370 HG22 VAL 629 HG22 VAL 629 -3.529 -6.799 -3.663 371 HG23 VAL 629 HG23 VAL 629 -4.281 -7.923 -4.793 372 H ALA 630 H ALA 630 -2.560 -4.414 -7.964 373 HA ALA 630 HA ALA 630 0.169 -4.707 -8.751 374 HB1 ALA 630 HB1 ALA 630 -0.643 -3.782 -10.894 375 HB2 ALA 630 HB2 ALA 630 -2.207 -3.475 -10.131 376 HB3 ALA 630 HB3 ALA 630 -1.618 -5.129 -10.303 377 H TYR 631 H TYR 631 -1.724 -2.184 -7.380 378 HA TYR 631 HA TYR 631 0.055 -0.009 -7.996 379 HB2 TYR 631 HB2 TYR 631 -2.298 0.470 -7.593 380 HB3 TYR 631 HB3 TYR 631 -2.224 -0.304 -6.021 381 HD1 TYR 631 HD1 TYR 631 -1.403 2.713 -7.945 382 HD2 TYR 631 HD2 TYR 631 -1.310 0.883 -4.087 383 HE1 TYR 631 HE1 TYR 631 -1.001 4.907 -6.903 384 HE2 TYR 631 HE2 TYR 631 -0.894 3.073 -3.051 385 HH TYR 631 HH TYR 631 -0.002 5.268 -3.677 386 H ALA 632 H ALA 632 -0.349 -2.324 -5.369 387 HA ALA 632 HA ALA 632 1.599 -1.044 -3.633 388 HB1 ALA 632 HB1 ALA 632 0.061 -3.615 -3.436 389 HB2 ALA 632 HB2 ALA 632 -0.163 -2.123 -2.516 390 HB3 ALA 632 HB3 ALA 632 1.282 -3.115 -2.263 391 H LYS 633 H LYS 633 1.507 -3.646 -6.000 392 HA LYS 633 HA LYS 633 3.879 -4.997 -5.319 393 HB2 LYS 633 HB2 LYS 633 2.233 -4.807 -7.804 394 HB3 LYS 633 HB3 LYS 633 3.801 -5.589 -7.876 395 HG2 LYS 633 HG2 LYS 633 3.102 -7.211 -6.214 396 HG3 LYS 633 HG3 LYS 633 1.553 -6.389 -6.029 397 HD2 LYS 633 HD2 LYS 633 0.952 -6.939 -8.312 398 HD3 LYS 633 HD3 LYS 633 2.535 -7.630 -8.591 399 HE2 LYS 633 HE2 LYS 633 2.094 -9.441 -7.101 400 HE3 LYS 633 HE3 LYS 633 0.634 -8.663 -6.497 401 HZ1 LYS 633 HZ1 LYS 633 -0.370 -8.953 -8.686 402 HZ2 LYS 633 HZ2 LYS 633 0.100 -10.439 -8.033 403 HZ3 LYS 633 HZ3 LYS 633 1.030 -9.717 -9.247 404 H LYS 634 H LYS 634 3.204 -2.294 -7.439 405 HA LYS 634 HA LYS 634 5.879 -1.874 -8.401 406 HB2 LYS 634 HB2 LYS 634 3.749 -1.266 -9.615 407 HB3 LYS 634 HB3 LYS 634 3.498 0.002 -8.430 408 HG2 LYS 634 HG2 LYS 634 6.089 0.043 -9.855 409 HG3 LYS 634 HG3 LYS 634 4.656 0.398 -10.824 410 HD2 LYS 634 HD2 LYS 634 4.045 2.147 -9.138 411 HD3 LYS 634 HD3 LYS 634 5.579 1.839 -8.329 412 HE2 LYS 634 HE2 LYS 634 6.743 2.444 -10.458 413 HE3 LYS 634 HE3 LYS 634 5.180 2.897 -11.134 414 HZ1 LYS 634 HZ1 LYS 634 6.379 4.812 -10.270 415 HZ2 LYS 634 HZ2 LYS 634 6.444 4.110 -8.732 416 HZ3 LYS 634 HZ3 LYS 634 4.953 4.558 -9.394 417 H VAL 635 H VAL 635 4.024 -0.886 -5.662 418 HA VAL 635 HA VAL 635 5.351 1.592 -5.185 419 HB VAL 635 HB VAL 635 3.095 0.078 -4.101 420 HG11 VAL 635 HG11 VAL 635 4.450 2.002 -2.222 421 HG12 VAL 635 HG12 VAL 635 4.279 0.260 -1.987 422 HG13 VAL 635 HG13 VAL 635 2.846 1.292 -2.010 423 HG21 VAL 635 HG21 VAL 635 2.870 1.933 -5.633 424 HG22 VAL 635 HG22 VAL 635 3.573 3.017 -4.424 425 HG23 VAL 635 HG23 VAL 635 2.025 2.225 -4.107 426 H GLU 636 H GLU 636 5.530 -1.627 -3.674 427 HA GLU 636 HA GLU 636 7.370 -0.985 -1.602 428 HB2 GLU 636 HB2 GLU 636 5.937 -2.980 -1.616 429 HB3 GLU 636 HB3 GLU 636 6.831 -3.621 -2.986 430 HG2 GLU 636 HG2 GLU 636 8.318 -2.944 -0.505 431 HG3 GLU 636 HG3 GLU 636 7.335 -4.388 -0.535 432 H GLY 637 H GLY 637 7.781 -1.793 -4.996 433 HA2 GLY 637 HA2 GLY 637 10.590 -2.359 -4.887 434 HA3 GLY 637 HA3 GLY 637 9.640 -2.074 -6.334 435 H ASP 638 H ASP 638 8.756 0.550 -4.986 436 HA ASP 638 HA ASP 638 10.809 2.218 -6.130 437 HB2 ASP 638 HB2 ASP 638 8.161 2.770 -4.789 438 HB3 ASP 638 HB3 ASP 638 9.246 4.071 -5.267 439 H MET 639 H MET 639 10.106 0.968 -3.003 440 HA MET 639 HA MET 639 11.391 3.008 -1.446 441 HB2 MET 639 HB2 MET 639 10.527 0.189 -0.800 442 HB3 MET 639 HB3 MET 639 11.319 1.244 0.373 443 HG2 MET 639 HG2 MET 639 9.517 2.709 0.422 444 HG3 MET 639 HG3 MET 639 8.855 2.099 -1.080 445 HE1 MET 639 HE1 MET 639 6.482 2.078 0.056 446 HE2 MET 639 HE2 MET 639 5.957 0.419 0.366 447 HE3 MET 639 HE3 MET 639 6.831 0.808 -1.119 448 H TYR 640 H TYR 640 12.494 0.226 -3.192 449 HA TYR 640 HA TYR 640 14.915 -0.195 -1.701 450 HB2 TYR 640 HB2 TYR 640 14.753 -2.166 -2.750 451 HB3 TYR 640 HB3 TYR 640 13.440 -1.545 -3.753 452 HD1 TYR 640 HD1 TYR 640 17.139 -1.844 -3.540 453 HD2 TYR 640 HD2 TYR 640 13.777 -1.148 -6.059 454 HE1 TYR 640 HE1 TYR 640 18.592 -2.021 -5.518 455 HE2 TYR 640 HE2 TYR 640 15.222 -1.323 -8.041 456 HH TYR 640 HH TYR 640 18.401 -2.516 -7.902 457 H GLU 641 H GLU 641 13.962 1.723 -4.452 458 HA GLU 641 HA GLU 641 16.693 2.357 -5.227 459 HB2 GLU 641 HB2 GLU 641 14.021 3.283 -6.293 460 HB3 GLU 641 HB3 GLU 641 15.563 3.827 -6.922 461 HG2 GLU 641 HG2 GLU 641 16.116 1.459 -7.440 462 HG3 GLU 641 HG3 GLU 641 14.473 1.048 -6.973 463 H SER 642 H SER 642 14.257 3.640 -3.159 464 HA SER 642 HA SER 642 15.347 6.351 -3.219 465 HB2 SER 642 HB2 SER 642 12.919 5.207 -1.815 466 HB3 SER 642 HB3 SER 642 13.399 6.902 -1.760 467 HG SER 642 HG SER 642 12.114 5.508 -3.732 468 H ALA 643 H ALA 643 14.791 3.725 -0.865 469 HA ALA 643 HA ALA 643 16.233 5.155 1.216 470 HB1 ALA 643 HB1 ALA 643 14.226 3.944 1.815 471 HB2 ALA 643 HB2 ALA 643 15.623 3.245 2.632 472 HB3 ALA 643 HB3 ALA 643 14.928 2.441 1.223 473 H ASN 644 H ASN 644 18.088 4.328 2.295 474 HA ASN 644 HA ASN 644 19.725 2.488 0.673 475 HB2 ASN 644 HB2 ASN 644 20.654 4.845 2.335 476 HB3 ASN 644 HB3 ASN 644 21.723 3.711 1.523 477 HD21 ASN 644 HD21 ASN 644 20.044 6.599 1.271 478 HD22 ASN 644 HD22 ASN 644 20.232 6.864 -0.426 479 H SER 645 H SER 645 18.165 2.808 3.609 480 HA SER 645 HA SER 645 19.853 0.751 4.870 481 HB2 SER 645 HB2 SER 645 18.639 3.158 6.267 482 HB3 SER 645 HB3 SER 645 19.509 1.849 7.065 483 HG SER 645 HG SER 645 21.365 2.605 6.322 484 H ARG 646 H ARG 646 18.728 -0.580 6.440 485 HA ARG 646 HA ARG 646 16.186 -1.426 5.486 486 HB2 ARG 646 HB2 ARG 646 16.728 -3.343 6.483 487 HB3 ARG 646 HB3 ARG 646 18.248 -2.583 6.928 488 HG2 ARG 646 HG2 ARG 646 17.015 -1.755 9.013 489 HG3 ARG 646 HG3 ARG 646 15.774 -2.935 8.591 490 HD2 ARG 646 HD2 ARG 646 17.245 -4.750 8.895 491 HD3 ARG 646 HD3 ARG 646 18.669 -3.716 8.842 492 HE ARG 646 HE ARG 646 17.015 -4.281 11.127 493 HH11 ARG 646 HH11 ARG 646 19.313 -1.987 9.783 494 HH12 ARG 646 HH12 ARG 646 19.761 -1.357 11.333 495 HH21 ARG 646 HH21 ARG 646 17.617 -3.440 13.140 496 HH22 ARG 646 HH22 ARG 646 18.803 -2.181 13.229 497 H ASP 647 H ASP 647 17.136 0.651 8.111 498 HA ASP 647 HA ASP 647 14.570 0.549 9.435 499 HB2 ASP 647 HB2 ASP 647 16.974 2.351 9.802 500 HB3 ASP 647 HB3 ASP 647 15.502 2.496 10.757 501 H GLU 648 H GLU 648 16.056 2.418 6.915 502 HA GLU 648 HA GLU 648 14.008 4.476 6.924 503 HB2 GLU 648 HB2 GLU 648 16.295 3.935 5.004 504 HB3 GLU 648 HB3 GLU 648 15.228 5.327 4.925 505 HG2 GLU 648 HG2 GLU 648 16.897 4.728 7.349 506 HG3 GLU 648 HG3 GLU 648 17.516 5.656 5.983 507 H TYR 649 H TYR 649 15.041 1.775 4.860 508 HA TYR 649 HA TYR 649 13.192 1.935 2.807 509 HB2 TYR 649 HB2 TYR 649 15.115 0.487 2.670 510 HB3 TYR 649 HB3 TYR 649 14.602 -0.429 4.070 511 HD1 TYR 649 HD1 TYR 649 14.004 0.197 0.501 512 HD2 TYR 649 HD2 TYR 649 13.059 -2.280 3.828 513 HE1 TYR 649 HE1 TYR 649 12.967 -1.418 -1.013 514 HE2 TYR 649 HE2 TYR 649 12.012 -3.913 2.314 515 HH TYR 649 HH TYR 649 11.004 -3.972 0.079 516 H TYR 650 H TYR 650 12.910 -0.097 5.730 517 HA TYR 650 HA TYR 650 10.252 -0.901 5.365 518 HB2 TYR 650 HB2 TYR 650 11.897 -0.641 7.894 519 HB3 TYR 650 HB3 TYR 650 10.344 -1.461 7.797 520 HD1 TYR 650 HD1 TYR 650 13.353 -2.406 8.439 521 HD2 TYR 650 HD2 TYR 650 10.675 -2.856 5.159 522 HE1 TYR 650 HE1 TYR 650 14.505 -4.463 7.793 523 HE2 TYR 650 HE2 TYR 650 11.815 -4.939 4.516 524 HH TYR 650 HH TYR 650 14.023 -6.524 6.552 525 H HIS 651 H HIS 651 11.435 2.171 6.226 526 HA HIS 651 HA HIS 651 9.212 2.947 7.895 527 HB2 HIS 651 HB2 HIS 651 11.420 3.866 8.351 528 HB3 HIS 651 HB3 HIS 651 11.501 4.554 6.738 529 HD1 HIS 651 HD1 HIS 651 9.262 4.880 9.803 530 HD2 HIS 651 HD2 HIS 651 10.792 7.180 6.696 531 HE1 HIS 651 HE1 HIS 651 8.425 7.214 10.219 532 HE2 HIS 651 HE2 HIS 651 9.268 8.563 8.265 533 H LEU 652 H LEU 652 10.242 3.643 4.516 534 HA LEU 652 HA LEU 652 8.305 5.565 3.929 535 HB2 LEU 652 HB2 LEU 652 9.649 3.583 2.117 536 HB3 LEU 652 HB3 LEU 652 8.659 4.890 1.550 537 HG LEU 652 HG LEU 652 11.261 5.210 3.024 538 HD11 LEU 652 HD11 LEU 652 10.793 5.637 0.093 539 HD12 LEU 652 HD12 LEU 652 11.573 4.221 0.796 540 HD13 LEU 652 HD13 LEU 652 12.312 5.813 0.974 541 HD21 LEU 652 HD21 LEU 652 9.602 7.285 1.632 542 HD22 LEU 652 HD22 LEU 652 11.165 7.543 2.409 543 HD23 LEU 652 HD23 LEU 652 9.766 7.079 3.377 544 H LEU 653 H LEU 653 7.919 2.122 4.241 545 HA LEU 653 HA LEU 653 5.424 2.065 2.742 546 HB2 LEU 653 HB2 LEU 653 6.815 0.108 2.524 547 HB3 LEU 653 HB3 LEU 653 6.901 -0.074 4.266 548 HG LEU 653 HG LEU 653 4.453 -0.592 4.276 549 HD11 LEU 653 HD11 LEU 653 3.944 0.556 2.146 550 HD12 LEU 653 HD12 LEU 653 3.339 -1.096 2.227 551 HD13 LEU 653 HD13 LEU 653 4.794 -0.734 1.299 552 HD21 LEU 653 HD21 LEU 653 5.765 -2.512 2.433 553 HD22 LEU 653 HD22 LEU 653 4.760 -2.800 3.857 554 HD23 LEU 653 HD23 LEU 653 6.425 -2.267 4.048 555 H ALA 654 H ALA 654 6.555 1.800 6.091 556 HA ALA 654 HA ALA 654 3.986 1.532 7.288 557 HB1 ALA 654 HB1 ALA 654 6.536 2.579 8.507 558 HB2 ALA 654 HB2 ALA 654 6.047 0.884 8.430 559 HB3 ALA 654 HB3 ALA 654 5.101 2.032 9.378 560 H GLU 655 H GLU 655 5.839 4.257 6.150 561 HA GLU 655 HA GLU 655 4.196 6.247 7.444 562 HB2 GLU 655 HB2 GLU 655 6.561 6.731 6.933 563 HB3 GLU 655 HB3 GLU 655 6.226 6.559 5.218 564 HG2 GLU 655 HG2 GLU 655 4.772 8.505 5.281 565 HG3 GLU 655 HG3 GLU 655 5.035 8.663 7.018 566 H LYS 656 H LYS 656 4.423 4.780 4.242 567 HA LYS 656 HA LYS 656 2.310 6.301 3.066 568 HB2 LYS 656 HB2 LYS 656 3.607 3.670 2.359 569 HB3 LYS 656 HB3 LYS 656 2.251 4.321 1.451 570 HG2 LYS 656 HG2 LYS 656 3.564 6.304 0.884 571 HG3 LYS 656 HG3 LYS 656 4.932 5.659 1.785 572 HD2 LYS 656 HD2 LYS 656 4.382 3.604 0.056 573 HD3 LYS 656 HD3 LYS 656 3.959 5.005 -0.919 574 HE2 LYS 656 HE2 LYS 656 6.235 5.948 -0.325 575 HE3 LYS 656 HE3 LYS 656 6.618 4.368 0.353 576 HZ1 LYS 656 HZ1 LYS 656 7.440 4.522 -1.884 577 HZ2 LYS 656 HZ2 LYS 656 5.913 4.944 -2.473 578 HZ3 LYS 656 HZ3 LYS 656 6.175 3.398 -1.844 579 H ILE 657 H ILE 657 2.498 3.632 5.221 580 HA ILE 657 HA ILE 657 -0.142 2.591 4.825 581 HB ILE 657 HB ILE 657 2.137 2.063 6.649 582 HG12 ILE 657 HG12 ILE 657 0.124 0.104 5.548 583 HG13 ILE 657 HG13 ILE 657 1.360 0.810 4.524 584 HG21 ILE 657 HG21 ILE 657 -0.575 1.128 7.579 585 HG22 ILE 657 HG22 ILE 657 0.268 2.513 8.275 586 HG23 ILE 657 HG23 ILE 657 0.988 0.900 8.371 587 HD11 ILE 657 HD11 ILE 657 3.097 -0.207 5.913 588 HD12 ILE 657 HD12 ILE 657 1.977 -1.425 5.300 589 HD13 ILE 657 HD13 ILE 657 1.861 -0.881 6.974 590 H TYR 658 H TYR 658 1.273 5.146 6.737 591 HA TYR 658 HA TYR 658 -1.074 5.504 8.390 592 HB2 TYR 658 HB2 TYR 658 1.486 7.089 8.131 593 HB3 TYR 658 HB3 TYR 658 0.207 7.481 9.264 594 HD1 TYR 658 HD1 TYR 658 3.320 6.311 9.322 595 HD2 TYR 658 HD2 TYR 658 -0.563 4.944 10.415 596 HE1 TYR 658 HE1 TYR 658 4.323 4.793 10.977 597 HE2 TYR 658 HE2 TYR 658 0.434 3.423 12.070 598 HH TYR 658 HH TYR 658 3.683 3.629 13.036 599 H LYS 659 H LYS 659 0.309 6.873 5.481 600 HA LYS 659 HA LYS 659 -1.278 9.263 5.449 601 HB2 LYS 659 HB2 LYS 659 0.917 9.175 4.369 602 HB3 LYS 659 HB3 LYS 659 0.313 8.002 3.221 603 HG2 LYS 659 HG2 LYS 659 -1.230 9.657 2.324 604 HG3 LYS 659 HG3 LYS 659 -0.662 10.837 3.495 605 HD2 LYS 659 HD2 LYS 659 1.589 10.747 2.463 606 HD3 LYS 659 HD3 LYS 659 0.987 9.586 1.290 607 HE2 LYS 659 HE2 LYS 659 -0.190 12.314 1.616 608 HE3 LYS 659 HE3 LYS 659 1.180 12.016 0.554 609 HZ1 LYS 659 HZ1 LYS 659 -0.178 10.494 -0.720 610 HZ2 LYS 659 HZ2 LYS 659 -0.956 11.992 -0.621 611 HZ3 LYS 659 HZ3 LYS 659 -1.481 10.702 0.339 612 H ILE 660 H ILE 660 -1.548 6.092 3.958 613 HA ILE 660 HA ILE 660 -3.829 6.742 2.340 614 HB ILE 660 HB ILE 660 -2.747 4.043 3.220 615 HG12 ILE 660 HG12 ILE 660 -2.622 5.399 0.509 616 HG13 ILE 660 HG13 ILE 660 -1.317 5.450 1.684 617 HG21 ILE 660 HG21 ILE 660 -4.942 4.690 1.244 618 HG22 ILE 660 HG22 ILE 660 -5.101 3.793 2.755 619 HG23 ILE 660 HG23 ILE 660 -4.186 3.108 1.414 620 HD11 ILE 660 HD11 ILE 660 -0.881 3.789 -0.030 621 HD12 ILE 660 HD12 ILE 660 -2.399 2.973 0.346 622 HD13 ILE 660 HD13 ILE 660 -1.096 3.012 1.539 623 H GLN 661 H GLN 661 -3.313 5.493 5.570 624 HA GLN 661 HA GLN 661 -5.994 4.958 6.282 625 HB2 GLN 661 HB2 GLN 661 -3.512 5.552 7.864 626 HB3 GLN 661 HB3 GLN 661 -5.058 5.301 8.654 627 HG2 GLN 661 HG2 GLN 661 -5.189 3.061 7.850 628 HG3 GLN 661 HG3 GLN 661 -3.824 3.295 6.778 629 HE21 GLN 661 HE21 GLN 661 -3.477 1.137 8.147 630 HE22 GLN 661 HE22 GLN 661 -2.452 1.342 9.523 631 H LYS 662 H LYS 662 -4.264 7.928 5.933 632 HA LYS 662 HA LYS 662 -5.923 9.600 7.563 633 HB2 LYS 662 HB2 LYS 662 -3.652 10.267 6.884 634 HB3 LYS 662 HB3 LYS 662 -4.182 10.329 5.219 635 HG2 LYS 662 HG2 LYS 662 -5.754 12.156 5.855 636 HG3 LYS 662 HG3 LYS 662 -5.050 12.148 7.454 637 HD2 LYS 662 HD2 LYS 662 -2.891 12.778 6.494 638 HD3 LYS 662 HD3 LYS 662 -3.591 12.764 4.880 639 HE2 LYS 662 HE2 LYS 662 -4.500 14.517 7.116 640 HE3 LYS 662 HE3 LYS 662 -3.358 15.015 5.889 641 HZ1 LYS 662 HZ1 LYS 662 -6.159 14.160 5.385 642 HZ2 LYS 662 HZ2 LYS 662 -5.048 14.643 4.204 643 HZ3 LYS 662 HZ3 LYS 662 -5.596 15.756 5.352 644 H GLU 663 H GLU 663 -5.990 8.597 4.188 645 HA GLU 663 HA GLU 663 -7.925 10.446 3.256 646 HB2 GLU 663 HB2 GLU 663 -6.981 7.788 2.166 647 HB3 GLU 663 HB3 GLU 663 -8.097 8.837 1.322 648 HG2 GLU 663 HG2 GLU 663 -5.268 9.515 2.076 649 HG3 GLU 663 HG3 GLU 663 -5.858 9.078 0.471 650 H LEU 664 H LEU 664 -8.133 7.012 4.167 651 HA LEU 664 HA LEU 664 -10.933 6.766 3.800 652 HB2 LEU 664 HB2 LEU 664 -9.067 5.093 5.486 653 HB3 LEU 664 HB3 LEU 664 -10.721 4.670 5.129 654 HG LEU 664 HG LEU 664 -8.477 4.871 3.110 655 HD11 LEU 664 HD11 LEU 664 -8.603 2.469 2.927 656 HD12 LEU 664 HD12 LEU 664 -9.871 2.412 4.149 657 HD13 LEU 664 HD13 LEU 664 -8.247 2.938 4.589 658 HD21 LEU 664 HD21 LEU 664 -11.315 3.954 2.704 659 HD22 LEU 664 HD22 LEU 664 -10.023 3.907 1.504 660 HD23 LEU 664 HD23 LEU 664 -10.613 5.457 2.104 661 H GLU 665 H GLU 665 -9.110 8.150 6.361 662 HA GLU 665 HA GLU 665 -11.140 7.845 8.396 663 HB2 GLU 665 HB2 GLU 665 -8.744 7.918 8.959 664 HB3 GLU 665 HB3 GLU 665 -8.645 9.560 8.350 665 HG2 GLU 665 HG2 GLU 665 -8.761 9.789 10.669 666 HG3 GLU 665 HG3 GLU 665 -10.395 10.142 10.111 667 H GLU 666 H GLU 666 -10.480 10.056 5.836 668 HA GLU 666 HA GLU 666 -11.850 12.335 6.912 669 HB2 GLU 666 HB2 GLU 666 -10.090 12.454 5.128 670 HB3 GLU 666 HB3 GLU 666 -11.243 11.736 4.011 671 HG2 GLU 666 HG2 GLU 666 -11.055 14.196 3.820 672 HG3 GLU 666 HG3 GLU 666 -12.687 13.633 4.171 673 H LYS 667 H LYS 667 -12.783 9.511 5.090 674 HA LYS 667 HA LYS 667 -15.444 10.492 4.518 675 HB2 LYS 667 HB2 LYS 667 -14.082 7.885 3.972 676 HB3 LYS 667 HB3 LYS 667 -15.785 8.136 3.638 677 HG2 LYS 667 HG2 LYS 667 -14.839 8.562 1.592 678 HG3 LYS 667 HG3 LYS 667 -14.978 10.166 2.294 679 HD2 LYS 667 HD2 LYS 667 -12.590 10.076 2.928 680 HD3 LYS 667 HD3 LYS 667 -12.476 8.473 2.223 681 HE2 LYS 667 HE2 LYS 667 -12.986 9.412 0.017 682 HE3 LYS 667 HE3 LYS 667 -13.121 11.011 0.739 683 HZ1 LYS 667 HZ1 LYS 667 -10.965 10.685 -0.306 684 HZ2 LYS 667 HZ2 LYS 667 -10.660 9.347 0.684 685 HZ3 LYS 667 HZ3 LYS 667 -10.789 10.889 1.365 686 H ARG 668 H ARG 668 -13.878 8.914 7.077 687 HA ARG 668 HA ARG 668 -16.096 7.386 8.079 688 HB2 ARG 668 HB2 ARG 668 -13.367 8.096 9.125 689 HB3 ARG 668 HB3 ARG 668 -14.543 7.309 10.161 690 HG2 ARG 668 HG2 ARG 668 -14.651 5.419 8.693 691 HG3 ARG 668 HG3 ARG 668 -13.595 6.212 7.527 692 HD2 ARG 668 HD2 ARG 668 -11.778 6.218 9.135 693 HD3 ARG 668 HD3 ARG 668 -12.833 5.502 10.354 694 HE ARG 668 HE ARG 668 -12.983 3.615 8.568 695 HH11 ARG 668 HH11 ARG 668 -10.094 5.444 9.375 696 HH12 ARG 668 HH12 ARG 668 -9.020 4.153 8.953 697 HH21 ARG 668 HH21 ARG 668 -11.557 1.939 8.022 698 HH22 ARG 668 HH22 ARG 668 -9.849 2.170 8.187 699 H ARG 669 H ARG 669 -14.802 10.604 8.628 700 HA ARG 669 HA ARG 669 -16.571 11.090 10.896 701 HB2 ARG 669 HB2 ARG 669 -14.448 12.793 9.581 702 HB3 ARG 669 HB3 ARG 669 -15.449 13.349 10.913 703 HG2 ARG 669 HG2 ARG 669 -14.542 11.603 12.344 704 HG3 ARG 669 HG3 ARG 669 -13.578 10.993 10.995 705 HD2 ARG 669 HD2 ARG 669 -13.363 13.708 12.256 706 HD3 ARG 669 HD3 ARG 669 -12.224 12.378 12.459 707 HE ARG 669 HE ARG 669 -12.455 12.904 9.727 708 HH11 ARG 669 HH11 ARG 669 -11.196 14.510 12.587 709 HH12 ARG 669 HH12 ARG 669 -10.018 15.418 11.697 710 HH21 ARG 669 HH21 ARG 669 -10.906 14.104 8.585 711 HH22 ARG 669 HH22 ARG 669 -9.855 15.186 9.436 712 H SER 670 H SER 670 -16.712 11.369 7.539 713 HA SER 670 HA SER 670 -18.521 13.669 7.558 714 HB2 SER 670 HB2 SER 670 -18.279 13.634 5.117 715 HB3 SER 670 HB3 SER 670 -16.713 13.725 5.920 716 HG SER 670 HG SER 670 -16.541 11.443 5.579 717 H ARG 671 H ARG 671 -18.556 10.215 7.230 718 HA ARG 671 HA ARG 671 -21.240 10.200 6.079 719 HB2 ARG 671 HB2 ARG 671 -19.219 8.031 6.552 720 HB3 ARG 671 HB3 ARG 671 -20.862 7.701 6.020 721 HG2 ARG 671 HG2 ARG 671 -20.479 9.034 4.009 722 HG3 ARG 671 HG3 ARG 671 -18.844 9.389 4.554 723 HD2 ARG 671 HD2 ARG 671 -18.267 7.095 4.494 724 HD3 ARG 671 HD3 ARG 671 -19.911 6.627 4.063 725 HE ARG 671 HE ARG 671 -19.122 8.366 2.095 726 HH11 ARG 671 HH11 ARG 671 -17.876 5.308 3.301 727 HH12 ARG 671 HH12 ARG 671 -17.189 4.857 1.777 728 HH21 ARG 671 HH21 ARG 671 -18.212 7.752 0.111 729 HH22 ARG 671 HH22 ARG 671 -17.379 6.239 -0.026 730 H LEU 672 H LEU 672 -19.826 10.213 9.092 731 HA LEU 672 HA LEU 672 -22.167 8.945 10.351 732 HB2 LEU 672 HB2 LEU 672 -19.354 9.220 11.423 733 HB3 LEU 672 HB3 LEU 672 -20.712 8.666 12.379 734 HG LEU 672 HG LEU 672 -19.574 7.262 9.953 735 HD11 LEU 672 HD11 LEU 672 -19.449 6.510 12.871 736 HD12 LEU 672 HD12 LEU 672 -18.105 7.100 11.895 737 HD13 LEU 672 HD13 LEU 672 -18.848 5.545 11.523 738 HD21 LEU 672 HD21 LEU 672 -21.799 6.460 11.820 739 HD22 LEU 672 HD22 LEU 672 -21.101 5.442 10.560 740 HD23 LEU 672 HD23 LEU 672 -21.966 6.916 10.125 741 H1 GLY 519 H1 GLY 519 4.346 11.898 -33.137 742 H2 GLY 519 H2 GLY 519 2.683 11.628 -32.993 743 H3 GLY 519 H3 GLY 519 3.664 10.478 -33.754 744 HA2 GLY 519 HA2 GLY 519 3.081 9.741 -31.537 745 HA3 GLY 519 HA3 GLY 519 4.809 10.020 -31.686 746 H SER 520 H SER 520 2.187 10.509 -29.762 747 HA SER 520 HA SER 520 3.434 12.816 -28.418 748 HB2 SER 520 HB2 SER 520 1.352 13.591 -29.330 749 HB3 SER 520 HB3 SER 520 0.496 12.168 -28.737 750 HG SER 520 HG SER 520 1.043 14.493 -27.468 751 HA PRO 521 HA PRO 521 3.777 9.915 -24.998 752 HB2 PRO 521 HB2 PRO 521 4.520 11.665 -23.043 753 HB3 PRO 521 HB3 PRO 521 5.615 11.107 -24.304 754 HG2 PRO 521 HG2 PRO 521 4.134 13.613 -24.142 755 HG3 PRO 521 HG3 PRO 521 5.671 13.366 -24.636 756 HD2 PRO 521 HD2 PRO 521 3.743 13.742 -26.298 757 HD3 PRO 521 HD3 PRO 521 5.056 12.849 -26.681 758 H GLY 522 H GLY 522 2.523 9.126 -23.369 759 HA2 GLY 522 HA2 GLY 522 0.325 10.823 -22.366 760 HA3 GLY 522 HA3 GLY 522 0.009 9.205 -22.969 761 H TYR 523 H TYR 523 2.696 8.393 -21.730 762 HA TYR 523 HA TYR 523 3.449 7.336 -19.876 763 HB2 TYR 523 HB2 TYR 523 1.906 9.368 -18.248 764 HB3 TYR 523 HB3 TYR 523 3.296 8.425 -17.729 765 HD1 TYR 523 HD1 TYR 523 2.174 11.412 -19.440 766 HD2 TYR 523 HD2 TYR 523 5.554 8.936 -18.685 767 HE1 TYR 523 HE1 TYR 523 3.663 13.235 -20.153 768 HE2 TYR 523 HE2 TYR 523 7.050 10.754 -19.396 769 HH TYR 523 HH TYR 523 5.993 13.947 -19.820 770 HA PRO 524 HA PRO 524 -0.222 4.602 -19.352 771 HB2 PRO 524 HB2 PRO 524 1.998 2.709 -18.717 772 HB3 PRO 524 HB3 PRO 524 0.572 2.467 -19.736 773 HG2 PRO 524 HG2 PRO 524 2.810 2.865 -20.928 774 HG3 PRO 524 HG3 PRO 524 1.534 3.739 -21.453 775 HD2 PRO 524 HD2 PRO 524 3.601 4.724 -19.518 776 HD3 PRO 524 HD3 PRO 524 3.138 5.514 -20.870 777 H ASN 525 H ASN 525 2.471 5.149 -17.157 778 HA ASN 525 HA ASN 525 0.952 4.047 -14.905 779 HB2 ASN 525 HB2 ASN 525 3.840 4.932 -15.095 780 HB3 ASN 525 HB3 ASN 525 3.079 4.355 -13.617 781 HD21 ASN 525 HD21 ASN 525 5.324 3.311 -15.259 782 HD22 ASN 525 HD22 ASN 525 4.907 1.670 -15.599 783 H GLY 526 H GLY 526 2.373 7.068 -16.063 784 HA2 GLY 526 HA2 GLY 526 1.203 9.141 -15.638 785 HA3 GLY 526 HA3 GLY 526 0.748 8.507 -14.065 786 H LEU 527 H LEU 527 1.748 10.968 -14.102 787 HA LEU 527 HA LEU 527 4.372 10.651 -12.861 788 HB2 LEU 527 HB2 LEU 527 3.559 12.779 -14.827 789 HB3 LEU 527 HB3 LEU 527 4.953 12.945 -13.783 790 HG LEU 527 HG LEU 527 4.631 10.778 -15.878 791 HD11 LEU 527 HD11 LEU 527 6.244 13.326 -15.932 792 HD12 LEU 527 HD12 LEU 527 4.817 12.977 -16.907 793 HD13 LEU 527 HD13 LEU 527 6.298 12.049 -17.147 794 HD21 LEU 527 HD21 LEU 527 6.103 10.163 -13.989 795 HD22 LEU 527 HD22 LEU 527 7.060 11.615 -14.287 796 HD23 LEU 527 HD23 LEU 527 6.989 10.341 -15.505 797 H LEU 528 H LEU 528 1.618 12.683 -13.286 798 HA LEU 528 HA LEU 528 1.929 13.818 -10.605 799 HB2 LEU 528 HB2 LEU 528 0.154 14.705 -12.887 800 HB3 LEU 528 HB3 LEU 528 0.270 15.510 -11.338 801 HG LEU 528 HG LEU 528 2.583 15.250 -13.268 802 HD11 LEU 528 HD11 LEU 528 0.849 16.595 -14.309 803 HD12 LEU 528 HD12 LEU 528 2.198 17.612 -13.807 804 HD13 LEU 528 HD13 LEU 528 0.715 17.581 -12.853 805 HD21 LEU 528 HD21 LEU 528 2.177 16.930 -10.800 806 HD22 LEU 528 HD22 LEU 528 3.561 17.034 -11.889 807 HD23 LEU 528 HD23 LEU 528 3.272 15.558 -10.971 808 H SER 529 H SER 529 0.290 11.453 -12.257 809 HA SER 529 HA SER 529 -1.769 11.245 -10.160 810 HB2 SER 529 HB2 SER 529 -3.338 10.327 -11.804 811 HB3 SER 529 HB3 SER 529 -2.780 11.914 -12.332 812 HG SER 529 HG SER 529 -2.094 10.984 -14.075 813 H GLY 530 H GLY 530 0.738 10.124 -9.891 814 HA2 GLY 530 HA2 GLY 530 0.532 7.304 -10.670 815 HA3 GLY 530 HA3 GLY 530 1.979 8.109 -10.084 816 H ASP 531 H ASP 531 1.126 9.246 -7.733 817 HA ASP 531 HA ASP 531 0.179 6.964 -6.133 818 HB2 ASP 531 HB2 ASP 531 2.445 8.835 -5.405 819 HB3 ASP 531 HB3 ASP 531 1.792 7.579 -4.361 820 H GLU 532 H GLU 532 -0.274 10.113 -7.009 821 HA GLU 532 HA GLU 532 -1.517 10.961 -4.529 822 HB2 GLU 532 HB2 GLU 532 -0.839 12.395 -7.078 823 HB3 GLU 532 HB3 GLU 532 -1.721 13.138 -5.774 824 HG2 GLU 532 HG2 GLU 532 0.912 11.886 -5.237 825 HG3 GLU 532 HG3 GLU 532 0.850 13.466 -6.007 826 H ASP 533 H ASP 533 -2.356 9.336 -7.193 827 HA ASP 533 HA ASP 533 -5.011 10.477 -7.595 828 HB2 ASP 533 HB2 ASP 533 -3.502 9.744 -9.505 829 HB3 ASP 533 HB3 ASP 533 -3.801 8.087 -9.001 830 H PHE 534 H PHE 534 -3.601 8.141 -5.608 831 HA PHE 534 HA PHE 534 -5.515 6.097 -5.642 832 HB2 PHE 534 HB2 PHE 534 -3.144 6.000 -4.702 833 HB3 PHE 534 HB3 PHE 534 -3.801 6.768 -3.259 834 HD1 PHE 534 HD1 PHE 534 -4.393 3.922 -5.503 835 HD2 PHE 534 HD2 PHE 534 -4.600 5.385 -1.533 836 HE1 PHE 534 HE1 PHE 534 -5.074 1.674 -4.724 837 HE2 PHE 534 HE2 PHE 534 -5.285 3.163 -0.732 838 HZ PHE 534 HZ PHE 534 -5.522 1.303 -2.331 839 H SER 535 H SER 535 -5.781 9.157 -4.478 840 HA SER 535 HA SER 535 -7.441 8.762 -2.190 841 HB2 SER 535 HB2 SER 535 -7.879 11.179 -2.334 842 HB3 SER 535 HB3 SER 535 -6.159 10.833 -2.489 843 HG SER 535 HG SER 535 -7.067 12.370 -4.040 844 H SER 536 H SER 536 -8.052 9.133 -5.621 845 HA SER 536 HA SER 536 -10.928 9.274 -5.265 846 HB2 SER 536 HB2 SER 536 -11.016 9.528 -7.698 847 HB3 SER 536 HB3 SER 536 -9.913 10.672 -6.954 848 HG SER 536 HG SER 536 -8.241 9.029 -7.477 849 H ILE 537 H ILE 537 -8.501 6.917 -6.129 850 HA ILE 537 HA ILE 537 -10.445 5.074 -7.250 851 HB ILE 537 HB ILE 537 -7.463 4.751 -6.856 852 HG12 ILE 537 HG12 ILE 537 -8.984 5.227 -9.437 853 HG13 ILE 537 HG13 ILE 537 -8.132 6.475 -8.549 854 HG21 ILE 537 HG21 ILE 537 -9.334 2.924 -8.357 855 HG22 ILE 537 HG22 ILE 537 -8.512 2.561 -6.839 856 HG23 ILE 537 HG23 ILE 537 -7.574 2.790 -8.316 857 HD11 ILE 537 HD11 ILE 537 -6.895 4.081 -9.908 858 HD12 ILE 537 HD12 ILE 537 -6.010 5.275 -8.959 859 HD13 ILE 537 HD13 ILE 537 -6.824 5.759 -10.447 860 H ALA 538 H ALA 538 -8.662 5.457 -4.237 861 HA ALA 538 HA ALA 538 -9.268 2.789 -3.358 862 HB1 ALA 538 HB1 ALA 538 -8.073 5.054 -1.777 863 HB2 ALA 538 HB2 ALA 538 -7.160 3.866 -2.707 864 HB3 ALA 538 HB3 ALA 538 -8.102 3.355 -1.305 865 H ASP 539 H ASP 539 -10.923 5.656 -3.371 866 HA ASP 539 HA ASP 539 -12.695 4.898 -1.160 867 HB2 ASP 539 HB2 ASP 539 -11.889 7.266 -1.315 868 HB3 ASP 539 HB3 ASP 539 -12.746 7.422 -2.846 869 H MET 540 H MET 540 -12.390 4.713 -4.525 870 HA MET 540 HA MET 540 -15.209 4.191 -5.041 871 HB2 MET 540 HB2 MET 540 -12.738 4.261 -6.755 872 HB3 MET 540 HB3 MET 540 -14.267 3.647 -7.367 873 HG2 MET 540 HG2 MET 540 -15.321 5.798 -6.972 874 HG3 MET 540 HG3 MET 540 -13.832 6.419 -6.266 875 HE1 MET 540 HE1 MET 540 -14.432 4.213 -9.564 876 HE2 MET 540 HE2 MET 540 -14.462 5.508 -10.762 877 HE3 MET 540 HE3 MET 540 -15.725 5.412 -9.536 878 H ASP 541 H ASP 541 -12.239 2.512 -4.442 879 HA ASP 541 HA ASP 541 -13.286 -0.067 -5.289 880 HB2 ASP 541 HB2 ASP 541 -10.579 0.878 -4.368 881 HB3 ASP 541 HB3 ASP 541 -10.950 -0.824 -4.583 882 H PHE 542 H PHE 542 -12.950 1.781 -2.377 883 HA PHE 542 HA PHE 542 -12.837 -0.446 -0.555 884 HB2 PHE 542 HB2 PHE 542 -11.948 1.805 -0.004 885 HB3 PHE 542 HB3 PHE 542 -13.588 2.438 -0.022 886 HD1 PHE 542 HD1 PHE 542 -11.340 0.055 1.731 887 HD2 PHE 542 HD2 PHE 542 -14.937 2.331 1.882 888 HE1 PHE 542 HE1 PHE 542 -11.595 -0.504 4.114 889 HE2 PHE 542 HE2 PHE 542 -15.195 1.776 4.260 890 HZ PHE 542 HZ PHE 542 -13.522 0.358 5.383 891 H SER 543 H SER 543 -15.363 1.374 -2.114 892 HA SER 543 HA SER 543 -17.496 0.419 -0.421 893 HB2 SER 543 HB2 SER 543 -18.973 1.587 -1.998 894 HB3 SER 543 HB3 SER 543 -17.640 2.621 -1.494 895 HG SER 543 HG SER 543 -18.334 2.040 -3.942 896 H ALA 544 H ALA 544 -15.873 -0.654 -3.277 897 HA ALA 544 HA ALA 544 -17.966 -2.459 -4.136 898 HB1 ALA 544 HB1 ALA 544 -16.428 -3.103 -5.894 899 HB2 ALA 544 HB2 ALA 544 -15.119 -2.229 -5.101 900 HB3 ALA 544 HB3 ALA 544 -16.495 -1.346 -5.764 901 H LEU 545 H LEU 545 -15.213 -2.575 -2.043 902 HA LEU 545 HA LEU 545 -14.880 -5.433 -2.095 903 HB2 LEU 545 HB2 LEU 545 -13.711 -3.211 -0.453 904 HB3 LEU 545 HB3 LEU 545 -13.383 -4.885 -0.092 905 HG LEU 545 HG LEU 545 -12.772 -3.655 -2.771 906 HD11 LEU 545 HD11 LEU 545 -11.437 -2.482 -1.143 907 HD12 LEU 545 HD12 LEU 545 -10.420 -3.623 -2.020 908 HD13 LEU 545 HD13 LEU 545 -10.965 -4.006 -0.387 909 HD21 LEU 545 HD21 LEU 545 -12.959 -6.077 -2.815 910 HD22 LEU 545 HD22 LEU 545 -11.854 -6.206 -1.446 911 HD23 LEU 545 HD23 LEU 545 -11.269 -5.597 -2.994 912 H LEU 546 H LEU 546 -16.959 -3.264 -0.440 913 HA LEU 546 HA LEU 546 -17.429 -4.960 1.858 914 HB2 LEU 546 HB2 LEU 546 -18.865 -2.513 0.840 915 HB3 LEU 546 HB3 LEU 546 -19.341 -3.368 2.283 916 HG LEU 546 HG LEU 546 -16.664 -2.031 1.893 917 HD11 LEU 546 HD11 LEU 546 -18.468 -0.390 1.925 918 HD12 LEU 546 HD12 LEU 546 -17.519 -0.311 3.409 919 HD13 LEU 546 HD13 LEU 546 -19.098 -1.098 3.412 920 HD21 LEU 546 HD21 LEU 546 -17.991 -3.209 4.330 921 HD22 LEU 546 HD22 LEU 546 -16.479 -2.303 4.334 922 HD23 LEU 546 HD23 LEU 546 -16.578 -3.852 3.496 923 H SER 547 H SER 547 -19.096 -4.130 -1.120 924 HA SER 547 HA SER 547 -21.262 -5.984 -0.762 925 HB2 SER 547 HB2 SER 547 -21.853 -5.400 -3.077 926 HB3 SER 547 HB3 SER 547 -21.519 -3.953 -2.129 927 HG SER 547 HG SER 547 -19.239 -4.445 -3.095 928 H GLN 548 H GLN 548 -18.024 -6.284 -1.726 929 HA GLN 548 HA GLN 548 -18.255 -8.446 -3.583 930 HB2 GLN 548 HB2 GLN 548 -16.393 -6.834 -3.602 931 HB3 GLN 548 HB3 GLN 548 -15.870 -7.445 -2.043 932 HG2 GLN 548 HG2 GLN 548 -14.559 -8.261 -3.970 933 HG3 GLN 548 HG3 GLN 548 -15.247 -9.530 -2.970 934 HE21 GLN 548 HE21 GLN 548 -15.215 -11.091 -4.554 935 HE22 GLN 548 HE22 GLN 548 -16.228 -11.042 -5.953 936 H ILE 549 H ILE 549 -18.071 -8.183 -0.182 937 HA ILE 549 HA ILE 549 -17.502 -11.043 0.152 938 HB ILE 549 HB ILE 549 -17.412 -8.830 2.209 939 HG12 ILE 549 HG12 ILE 549 -15.050 -10.552 1.579 940 HG13 ILE 549 HG13 ILE 549 -15.497 -9.340 0.389 941 HG21 ILE 549 HG21 ILE 549 -18.244 -10.828 3.264 942 HG22 ILE 549 HG22 ILE 549 -16.572 -10.573 3.761 943 HG23 ILE 549 HG23 ILE 549 -16.954 -11.793 2.546 944 HD11 ILE 549 HD11 ILE 549 -15.274 -7.594 2.094 945 HD12 ILE 549 HD12 ILE 549 -13.778 -8.507 1.882 946 HD13 ILE 549 HD13 ILE 549 -14.812 -8.820 3.277 947 H SER 550 H SER 550 -19.999 -8.663 0.636 948 HA SER 550 HA SER 550 -21.655 -10.498 2.189 949 HB2 SER 550 HB2 SER 550 -23.193 -8.606 2.429 950 HB3 SER 550 HB3 SER 550 -21.553 -8.133 2.872 951 HG SER 550 HG SER 550 -22.618 -7.713 0.283 952 H SER 551 H SER 551 -21.304 -9.349 -1.055 953 HA SER 551 HA SER 551 -22.392 -9.643 -3.010 954 HB2 SER 551 HB2 SER 551 -23.172 -12.264 -1.709 955 HB3 SER 551 HB3 SER 551 -23.365 -11.906 -3.421 956 HG SER 551 HG SER 551 -21.327 -12.313 -3.698 Start of MODEL 16 1 H1 GLY 586 H1 GLY 586 31.223 -0.450 -6.051 2 H2 GLY 586 H2 GLY 586 31.779 -1.597 -7.162 3 H3 GLY 586 H3 GLY 586 32.646 -1.310 -5.739 4 HA2 GLY 586 HA2 GLY 586 29.924 -2.482 -5.908 5 HA3 GLY 586 HA3 GLY 586 31.401 -3.376 -5.585 6 H VAL 587 H VAL 587 28.861 -1.533 -4.263 7 HA VAL 587 HA VAL 587 30.183 -1.098 -1.697 8 HB VAL 587 HB VAL 587 27.394 -0.365 -2.635 9 HG11 VAL 587 HG11 VAL 587 27.357 -0.798 -0.231 10 HG12 VAL 587 HG12 VAL 587 27.167 0.925 -0.561 11 HG13 VAL 587 HG13 VAL 587 28.720 0.301 -0.004 12 HG21 VAL 587 HG21 VAL 587 29.816 1.353 -2.083 13 HG22 VAL 587 HG22 VAL 587 28.210 1.955 -2.497 14 HG23 VAL 587 HG23 VAL 587 29.122 0.998 -3.665 15 H ARG 588 H ARG 588 29.650 -2.132 0.204 16 HA ARG 588 HA ARG 588 28.371 -4.742 -0.103 17 HB2 ARG 588 HB2 ARG 588 30.618 -4.677 0.887 18 HB3 ARG 588 HB3 ARG 588 30.047 -3.594 2.147 19 HG2 ARG 588 HG2 ARG 588 28.601 -5.352 3.023 20 HG3 ARG 588 HG3 ARG 588 29.135 -6.440 1.740 21 HD2 ARG 588 HD2 ARG 588 31.422 -6.325 2.577 22 HD3 ARG 588 HD3 ARG 588 30.915 -5.201 3.836 23 HE ARG 588 HE ARG 588 29.420 -7.613 3.958 24 HH11 ARG 588 HH11 ARG 588 32.563 -6.285 4.802 25 HH12 ARG 588 HH12 ARG 588 32.841 -7.440 6.062 26 HH21 ARG 588 HH21 ARG 588 29.809 -9.116 5.612 27 HH22 ARG 588 HH22 ARG 588 31.284 -9.040 6.519 28 H LYS 589 H LYS 589 26.374 -5.140 0.645 29 HA LYS 589 HA LYS 589 25.214 -3.222 2.549 30 HB2 LYS 589 HB2 LYS 589 23.876 -4.477 0.154 31 HB3 LYS 589 HB3 LYS 589 23.008 -3.607 1.407 32 HG2 LYS 589 HG2 LYS 589 24.204 -1.574 0.865 33 HG3 LYS 589 HG3 LYS 589 25.161 -2.420 -0.349 34 HD2 LYS 589 HD2 LYS 589 23.072 -2.866 -1.612 35 HD3 LYS 589 HD3 LYS 589 22.171 -1.950 -0.394 36 HE2 LYS 589 HE2 LYS 589 23.462 0.047 -0.931 37 HE3 LYS 589 HE3 LYS 589 24.392 -0.857 -2.125 38 HZ1 LYS 589 HZ1 LYS 589 22.633 0.425 -3.164 39 HZ2 LYS 589 HZ2 LYS 589 21.465 -0.360 -2.225 40 HZ3 LYS 589 HZ3 LYS 589 22.354 -1.232 -3.371 41 H GLY 590 H GLY 590 24.407 -4.045 4.349 42 HA2 GLY 590 HA2 GLY 590 24.440 -6.898 4.796 43 HA3 GLY 590 HA3 GLY 590 24.079 -5.658 5.983 44 H TRP 591 H TRP 591 21.998 -4.533 4.073 45 HA TRP 591 HA TRP 591 19.798 -6.086 5.100 46 HB2 TRP 591 HB2 TRP 591 18.365 -4.352 4.124 47 HB3 TRP 591 HB3 TRP 591 19.627 -3.663 5.126 48 HD1 TRP 591 HD1 TRP 591 21.936 -2.979 3.343 49 HE1 TRP 591 HE1 TRP 591 21.748 -1.458 1.280 50 HE3 TRP 591 HE3 TRP 591 16.905 -3.398 2.458 51 HZ2 TRP 591 HZ2 TRP 591 19.742 -0.542 -0.482 52 HZ3 TRP 591 HZ3 TRP 591 15.938 -2.157 0.569 53 HH2 TRP 591 HH2 TRP 591 17.328 -0.758 -0.869 54 H HIS 592 H HIS 592 21.401 -5.753 2.041 55 HA HIS 592 HA HIS 592 19.434 -7.077 0.448 56 HB2 HIS 592 HB2 HIS 592 20.790 -6.387 -1.213 57 HB3 HIS 592 HB3 HIS 592 21.856 -5.714 0.009 58 HD1 HIS 592 HD1 HIS 592 21.877 -7.942 -2.780 59 HD2 HIS 592 HD2 HIS 592 23.854 -7.821 0.872 60 HE1 HIS 592 HE1 HIS 592 23.872 -9.450 -3.045 61 HE2 HIS 592 HE2 HIS 592 25.065 -9.346 -0.829 62 H GLU 593 H GLU 593 21.559 -8.214 2.829 63 HA GLU 593 HA GLU 593 22.047 -10.819 1.661 64 HB2 GLU 593 HB2 GLU 593 22.825 -9.584 4.285 65 HB3 GLU 593 HB3 GLU 593 23.169 -11.261 3.893 66 HG2 GLU 593 HG2 GLU 593 24.458 -10.512 1.938 67 HG3 GLU 593 HG3 GLU 593 24.144 -8.842 2.400 68 H HIS 594 H HIS 594 19.886 -9.415 4.056 69 HA HIS 594 HA HIS 594 18.911 -12.093 4.748 70 HB2 HIS 594 HB2 HIS 594 18.456 -9.467 6.160 71 HB3 HIS 594 HB3 HIS 594 17.701 -10.981 6.639 72 HD1 HIS 594 HD1 HIS 594 19.600 -12.918 7.256 73 HD2 HIS 594 HD2 HIS 594 20.718 -8.927 7.501 74 HE1 HIS 594 HE1 HIS 594 21.586 -12.873 8.794 75 HE2 HIS 594 HE2 HIS 594 22.339 -10.469 8.798 76 H VAL 595 H VAL 595 17.945 -9.284 2.967 77 HA VAL 595 HA VAL 595 15.129 -9.848 3.151 78 HB VAL 595 HB VAL 595 16.644 -7.889 1.406 79 HG11 VAL 595 HG11 VAL 595 14.488 -6.944 0.710 80 HG12 VAL 595 HG12 VAL 595 13.643 -8.251 1.536 81 HG13 VAL 595 HG13 VAL 595 14.668 -8.606 0.146 82 HG21 VAL 595 HG21 VAL 595 15.195 -6.287 2.805 83 HG22 VAL 595 HG22 VAL 595 16.591 -7.050 3.568 84 HG23 VAL 595 HG23 VAL 595 14.963 -7.672 3.878 85 H THR 596 H THR 596 13.936 -11.097 1.935 86 HA THR 596 HA THR 596 15.161 -12.460 -0.374 87 HB THR 596 HB THR 596 13.596 -14.313 0.053 88 HG1 THR 596 HG1 THR 596 12.543 -12.486 1.848 89 HG21 THR 596 HG21 THR 596 14.550 -15.149 2.136 90 HG22 THR 596 HG22 THR 596 15.127 -13.532 2.530 91 HG23 THR 596 HG23 THR 596 15.788 -14.389 1.137 92 H GLN 597 H GLN 597 13.251 -13.453 -1.797 93 HA GLN 597 HA GLN 597 11.489 -11.383 -2.713 94 HB2 GLN 597 HB2 GLN 597 11.627 -14.338 -3.371 95 HB3 GLN 597 HB3 GLN 597 10.512 -13.219 -4.133 96 HG2 GLN 597 HG2 GLN 597 12.419 -11.932 -5.002 97 HG3 GLN 597 HG3 GLN 597 13.511 -13.098 -4.275 98 HE21 GLN 597 HE21 GLN 597 14.266 -13.150 -6.599 99 HE22 GLN 597 HE22 GLN 597 13.489 -14.270 -7.661 100 H ASP 598 H ASP 598 11.398 -13.721 -0.221 101 HA ASP 598 HA ASP 598 8.543 -14.003 -0.045 102 HB2 ASP 598 HB2 ASP 598 10.822 -14.771 1.779 103 HB3 ASP 598 HB3 ASP 598 9.140 -15.020 2.219 104 H LEU 599 H LEU 599 10.989 -11.921 1.520 105 HA LEU 599 HA LEU 599 9.285 -10.736 3.413 106 HB2 LEU 599 HB2 LEU 599 11.716 -9.632 2.017 107 HB3 LEU 599 HB3 LEU 599 10.874 -8.738 3.258 108 HG LEU 599 HG LEU 599 12.588 -11.184 3.524 109 HD11 LEU 599 HD11 LEU 599 13.702 -9.890 5.156 110 HD12 LEU 599 HD12 LEU 599 12.362 -8.746 5.268 111 HD13 LEU 599 HD13 LEU 599 13.361 -8.794 3.825 112 HD21 LEU 599 HD21 LEU 599 11.835 -11.319 5.913 113 HD22 LEU 599 HD22 LEU 599 10.654 -11.904 4.748 114 HD23 LEU 599 HD23 LEU 599 10.461 -10.308 5.475 115 H ARG 600 H ARG 600 9.976 -9.750 0.055 116 HA ARG 600 HA ARG 600 8.577 -7.321 0.129 117 HB2 ARG 600 HB2 ARG 600 9.046 -9.055 -2.312 118 HB3 ARG 600 HB3 ARG 600 8.683 -7.338 -2.310 119 HG2 ARG 600 HG2 ARG 600 10.813 -6.829 -1.319 120 HG3 ARG 600 HG3 ARG 600 11.176 -8.543 -1.123 121 HD2 ARG 600 HD2 ARG 600 12.266 -7.401 -3.096 122 HD3 ARG 600 HD3 ARG 600 11.358 -8.869 -3.459 123 HE ARG 600 HE ARG 600 9.735 -6.552 -3.744 124 HH11 ARG 600 HH11 ARG 600 12.231 -8.380 -5.410 125 HH12 ARG 600 HH12 ARG 600 11.740 -7.836 -6.980 126 HH21 ARG 600 HH21 ARG 600 9.112 -5.856 -5.808 127 HH22 ARG 600 HH22 ARG 600 9.976 -6.409 -7.204 128 H SER 601 H SER 601 7.366 -10.534 -0.094 129 HA SER 601 HA SER 601 4.773 -9.804 -1.159 130 HB2 SER 601 HB2 SER 601 4.225 -12.168 -0.885 131 HB3 SER 601 HB3 SER 601 5.829 -12.027 -1.601 132 HG SER 601 HG SER 601 6.392 -12.095 0.864 133 H HIS 602 H HIS 602 6.241 -10.368 1.988 134 HA HIS 602 HA HIS 602 3.750 -10.200 3.452 135 HB2 HIS 602 HB2 HIS 602 6.647 -10.252 4.326 136 HB3 HIS 602 HB3 HIS 602 5.306 -10.141 5.456 137 HD1 HIS 602 HD1 HIS 602 3.550 -12.260 5.251 138 HD2 HIS 602 HD2 HIS 602 7.395 -12.799 3.766 139 HE1 HIS 602 HE1 HIS 602 3.863 -14.750 5.081 140 HE2 HIS 602 HE2 HIS 602 6.230 -15.052 4.273 141 H LEU 603 H LEU 603 6.125 -8.053 2.232 142 HA LEU 603 HA LEU 603 5.472 -5.735 3.822 143 HB2 LEU 603 HB2 LEU 603 6.973 -6.202 1.247 144 HB3 LEU 603 HB3 LEU 603 6.628 -4.600 1.820 145 HG LEU 603 HG LEU 603 8.394 -6.628 3.197 146 HD11 LEU 603 HD11 LEU 603 9.471 -5.730 1.287 147 HD12 LEU 603 HD12 LEU 603 10.163 -4.986 2.735 148 HD13 LEU 603 HD13 LEU 603 9.007 -4.087 1.740 149 HD21 LEU 603 HD21 LEU 603 7.591 -3.881 4.067 150 HD22 LEU 603 HD22 LEU 603 9.087 -4.638 4.595 151 HD23 LEU 603 HD23 LEU 603 7.537 -5.389 4.980 152 H VAL 604 H VAL 604 4.502 -7.085 0.710 153 HA VAL 604 HA VAL 604 2.611 -5.065 0.039 154 HB VAL 604 HB VAL 604 3.169 -7.849 -1.005 155 HG11 VAL 604 HG11 VAL 604 0.897 -6.057 -1.741 156 HG12 VAL 604 HG12 VAL 604 0.915 -7.804 -1.526 157 HG13 VAL 604 HG13 VAL 604 1.651 -7.080 -2.958 158 HG21 VAL 604 HG21 VAL 604 3.430 -5.115 -2.242 159 HG22 VAL 604 HG22 VAL 604 3.866 -6.654 -3.004 160 HG23 VAL 604 HG23 VAL 604 4.747 -6.096 -1.581 161 H HIS 605 H HIS 605 2.463 -8.157 1.764 162 HA HIS 605 HA HIS 605 -0.382 -8.180 2.099 163 HB2 HIS 605 HB2 HIS 605 1.085 -10.217 2.226 164 HB3 HIS 605 HB3 HIS 605 1.693 -9.622 3.764 165 HD1 HIS 605 HD1 HIS 605 -1.667 -10.561 2.238 166 HD2 HIS 605 HD2 HIS 605 0.305 -10.567 5.897 167 HE1 HIS 605 HE1 HIS 605 -3.252 -11.656 3.853 168 HE2 HIS 605 HE2 HIS 605 -2.073 -11.572 6.078 169 H LYS 606 H LYS 606 2.155 -6.465 3.542 170 HA LYS 606 HA LYS 606 0.836 -5.835 6.072 171 HB2 LYS 606 HB2 LYS 606 3.323 -6.025 5.845 172 HB3 LYS 606 HB3 LYS 606 3.297 -4.667 4.736 173 HG2 LYS 606 HG2 LYS 606 2.599 -3.176 6.494 174 HG3 LYS 606 HG3 LYS 606 2.453 -4.524 7.625 175 HD2 LYS 606 HD2 LYS 606 4.848 -4.961 7.403 176 HD3 LYS 606 HD3 LYS 606 4.993 -3.635 6.260 177 HE2 LYS 606 HE2 LYS 606 4.255 -2.088 7.980 178 HE3 LYS 606 HE3 LYS 606 4.131 -3.404 9.134 179 HZ1 LYS 606 HZ1 LYS 606 6.618 -2.485 7.793 180 HZ2 LYS 606 HZ2 LYS 606 6.516 -3.780 8.875 181 HZ3 LYS 606 HZ3 LYS 606 6.203 -2.205 9.408 182 H LEU 607 H LEU 607 1.210 -4.728 2.890 183 HA LEU 607 HA LEU 607 0.445 -1.979 3.269 184 HB2 LEU 607 HB2 LEU 607 2.261 -2.439 1.880 185 HB3 LEU 607 HB3 LEU 607 1.424 -3.740 1.097 186 HG LEU 607 HG LEU 607 0.170 -2.199 -0.272 187 HD11 LEU 607 HD11 LEU 607 0.516 0.216 -0.196 188 HD12 LEU 607 HD12 LEU 607 1.488 0.036 1.270 189 HD13 LEU 607 HD13 LEU 607 -0.230 -0.365 1.297 190 HD21 LEU 607 HD21 LEU 607 3.016 -1.287 -0.089 191 HD22 LEU 607 HD22 LEU 607 1.973 -1.251 -1.508 192 HD23 LEU 607 HD23 LEU 607 2.502 -2.793 -0.837 193 H VAL 608 H VAL 608 -0.851 -4.899 1.711 194 HA VAL 608 HA VAL 608 -3.260 -3.687 0.713 195 HB VAL 608 HB VAL 608 -2.382 -6.578 1.035 196 HG11 VAL 608 HG11 VAL 608 -4.813 -6.550 1.276 197 HG12 VAL 608 HG12 VAL 608 -4.337 -7.272 -0.264 198 HG13 VAL 608 HG13 VAL 608 -4.959 -5.621 -0.217 199 HG21 VAL 608 HG21 VAL 608 -2.859 -4.896 -1.433 200 HG22 VAL 608 HG22 VAL 608 -2.280 -6.561 -1.400 201 HG23 VAL 608 HG23 VAL 608 -1.284 -5.268 -0.730 202 H GLN 609 H GLN 609 -2.330 -5.043 3.799 203 HA GLN 609 HA GLN 609 -5.038 -5.461 4.698 204 HB2 GLN 609 HB2 GLN 609 -2.442 -5.655 6.201 205 HB3 GLN 609 HB3 GLN 609 -4.016 -6.011 6.897 206 HG2 GLN 609 HG2 GLN 609 -2.673 -7.462 4.634 207 HG3 GLN 609 HG3 GLN 609 -2.901 -8.014 6.288 208 HE21 GLN 609 HE21 GLN 609 -3.955 -8.534 3.309 209 HE22 GLN 609 HE22 GLN 609 -5.603 -8.960 3.605 210 H ALA 610 H ALA 610 -2.650 -2.965 4.887 211 HA ALA 610 HA ALA 610 -3.953 -1.381 6.886 212 HB1 ALA 610 HB1 ALA 610 -1.845 -0.721 4.844 213 HB2 ALA 610 HB2 ALA 610 -1.587 -1.158 6.533 214 HB3 ALA 610 HB3 ALA 610 -2.371 0.371 6.126 215 H ILE 611 H ILE 611 -4.134 -1.657 3.399 216 HA ILE 611 HA ILE 611 -5.739 0.730 3.061 217 HB ILE 611 HB ILE 611 -4.995 -1.457 1.083 218 HG12 ILE 611 HG12 ILE 611 -4.076 1.410 1.231 219 HG13 ILE 611 HG13 ILE 611 -3.178 0.079 1.914 220 HG21 ILE 611 HG21 ILE 611 -7.144 -0.437 0.465 221 HG22 ILE 611 HG22 ILE 611 -5.869 0.021 -0.664 222 HG23 ILE 611 HG23 ILE 611 -6.405 1.162 0.566 223 HD11 ILE 611 HD11 ILE 611 -3.815 0.486 -0.995 224 HD12 ILE 611 HD12 ILE 611 -2.915 -0.875 -0.326 225 HD13 ILE 611 HD13 ILE 611 -2.255 0.756 -0.221 226 H PHE 612 H PHE 612 -6.322 -2.777 2.489 227 HA PHE 612 HA PHE 612 -8.923 -2.487 3.782 228 HB2 PHE 612 HB2 PHE 612 -9.446 -2.306 1.415 229 HB3 PHE 612 HB3 PHE 612 -8.491 -3.736 1.051 230 HD1 PHE 612 HD1 PHE 612 -11.543 -2.529 2.721 231 HD2 PHE 612 HD2 PHE 612 -9.445 -5.897 1.200 232 HE1 PHE 612 HE1 PHE 612 -13.576 -3.902 2.977 233 HE2 PHE 612 HE2 PHE 612 -11.469 -7.281 1.445 234 HZ PHE 612 HZ PHE 612 -13.539 -6.281 2.335 235 HA PRO 613 HA PRO 613 -7.089 -6.287 5.637 236 HB2 PRO 613 HB2 PRO 613 -8.910 -6.525 7.637 237 HB3 PRO 613 HB3 PRO 613 -7.507 -5.465 7.749 238 HG2 PRO 613 HG2 PRO 613 -10.269 -4.769 7.059 239 HG3 PRO 613 HG3 PRO 613 -9.256 -3.998 8.083 240 HD2 PRO 613 HD2 PRO 613 -9.517 -3.081 5.617 241 HD3 PRO 613 HD3 PRO 613 -8.048 -3.020 6.328 242 H THR 614 H THR 614 -7.589 -8.364 5.165 243 HA THR 614 HA THR 614 -10.216 -8.862 3.973 244 HB THR 614 HB THR 614 -8.207 -10.898 3.472 245 HG1 THR 614 HG1 THR 614 -7.741 -8.226 2.627 246 HG21 THR 614 HG21 THR 614 -10.296 -10.876 2.296 247 HG22 THR 614 HG22 THR 614 -8.995 -10.564 1.145 248 HG23 THR 614 HG23 THR 614 -10.003 -9.235 1.719 249 HA PRO 615 HA PRO 615 -11.084 -11.781 7.406 250 HB2 PRO 615 HB2 PRO 615 -13.448 -11.942 5.602 251 HB3 PRO 615 HB3 PRO 615 -13.392 -11.911 7.352 252 HG2 PRO 615 HG2 PRO 615 -14.049 -9.751 6.162 253 HG3 PRO 615 HG3 PRO 615 -12.918 -9.624 7.333 254 HD2 PRO 615 HD2 PRO 615 -12.396 -9.738 4.433 255 HD3 PRO 615 HD3 PRO 615 -11.747 -8.667 5.481 256 H ASP 616 H ASP 616 -12.075 -12.305 4.052 257 HA ASP 616 HA ASP 616 -11.140 -15.099 4.180 258 HB2 ASP 616 HB2 ASP 616 -13.579 -14.655 3.661 259 HB3 ASP 616 HB3 ASP 616 -13.047 -13.923 2.151 260 HA PRO 617 HA PRO 617 -7.781 -13.902 1.352 261 HB2 PRO 617 HB2 PRO 617 -7.587 -16.862 1.107 262 HB3 PRO 617 HB3 PRO 617 -6.329 -15.681 1.482 263 HG2 PRO 617 HG2 PRO 617 -7.302 -17.152 3.390 264 HG3 PRO 617 HG3 PRO 617 -7.016 -15.571 3.684 265 HD2 PRO 617 HD2 PRO 617 -9.541 -16.822 3.169 266 HD3 PRO 617 HD3 PRO 617 -9.196 -15.701 4.306 267 H ALA 618 H ALA 618 -10.651 -15.616 0.639 268 HA ALA 618 HA ALA 618 -10.085 -16.301 -2.096 269 HB1 ALA 618 HB1 ALA 618 -12.429 -16.963 -2.197 270 HB2 ALA 618 HB2 ALA 618 -12.718 -16.206 -0.630 271 HB3 ALA 618 HB3 ALA 618 -11.651 -17.605 -0.749 272 H ALA 619 H ALA 619 -10.804 -13.380 -0.603 273 HA ALA 619 HA ALA 619 -12.411 -12.188 -2.686 274 HB1 ALA 619 HB1 ALA 619 -12.567 -11.493 -0.316 275 HB2 ALA 619 HB2 ALA 619 -12.220 -10.151 -1.409 276 HB3 ALA 619 HB3 ALA 619 -10.928 -10.848 -0.432 277 H LEU 620 H LEU 620 -9.178 -12.962 -2.469 278 HA LEU 620 HA LEU 620 -8.060 -10.585 -3.643 279 HB2 LEU 620 HB2 LEU 620 -6.846 -13.280 -3.011 280 HB3 LEU 620 HB3 LEU 620 -5.944 -11.919 -3.617 281 HG LEU 620 HG LEU 620 -7.349 -12.003 -0.937 282 HD11 LEU 620 HD11 LEU 620 -5.439 -13.556 -1.062 283 HD12 LEU 620 HD12 LEU 620 -5.194 -12.242 0.085 284 HD13 LEU 620 HD13 LEU 620 -4.394 -12.200 -1.485 285 HD21 LEU 620 HD21 LEU 620 -6.255 -9.957 -0.401 286 HD22 LEU 620 HD22 LEU 620 -7.102 -9.737 -1.934 287 HD23 LEU 620 HD23 LEU 620 -5.356 -9.974 -1.919 288 H LYS 621 H LYS 621 -9.903 -12.890 -4.978 289 HA LYS 621 HA LYS 621 -8.327 -13.231 -7.435 290 HB2 LYS 621 HB2 LYS 621 -10.805 -14.665 -6.447 291 HB3 LYS 621 HB3 LYS 621 -10.031 -14.983 -7.988 292 HG2 LYS 621 HG2 LYS 621 -8.022 -15.757 -6.817 293 HG3 LYS 621 HG3 LYS 621 -8.793 -15.414 -5.269 294 HD2 LYS 621 HD2 LYS 621 -10.532 -17.063 -5.782 295 HD3 LYS 621 HD3 LYS 621 -9.754 -17.412 -7.325 296 HE2 LYS 621 HE2 LYS 621 -7.754 -18.157 -6.117 297 HE3 LYS 621 HE3 LYS 621 -8.566 -17.803 -4.592 298 HZ1 LYS 621 HZ1 LYS 621 -9.467 -19.802 -6.591 299 HZ2 LYS 621 HZ2 LYS 621 -10.232 -19.462 -5.121 300 HZ3 LYS 621 HZ3 LYS 621 -8.688 -20.152 -5.130 301 H ASP 622 H ASP 622 -10.028 -10.870 -6.394 302 HA ASP 622 HA ASP 622 -12.096 -10.614 -8.423 303 HB2 ASP 622 HB2 ASP 622 -12.268 -9.922 -5.940 304 HB3 ASP 622 HB3 ASP 622 -11.300 -8.526 -6.399 305 H ARG 623 H ARG 623 -12.197 -8.884 -9.907 306 HA ARG 623 HA ARG 623 -9.662 -8.326 -11.164 307 HB2 ARG 623 HB2 ARG 623 -12.489 -7.583 -11.937 308 HB3 ARG 623 HB3 ARG 623 -11.077 -7.211 -12.915 309 HG2 ARG 623 HG2 ARG 623 -11.676 -9.998 -12.083 310 HG3 ARG 623 HG3 ARG 623 -12.490 -9.291 -13.484 311 HD2 ARG 623 HD2 ARG 623 -10.644 -10.391 -14.421 312 HD3 ARG 623 HD3 ARG 623 -10.108 -8.715 -14.294 313 HE ARG 623 HE ARG 623 -8.472 -9.399 -12.871 314 HH11 ARG 623 HH11 ARG 623 -10.936 -11.904 -12.868 315 HH12 ARG 623 HH12 ARG 623 -10.014 -12.970 -11.863 316 HH21 ARG 623 HH21 ARG 623 -7.285 -10.813 -11.554 317 HH22 ARG 623 HH22 ARG 623 -7.951 -12.353 -11.120 318 H ARG 624 H ARG 624 -12.168 -6.564 -9.506 319 HA ARG 624 HA ARG 624 -11.189 -3.926 -9.966 320 HB2 ARG 624 HB2 ARG 624 -13.067 -5.055 -7.893 321 HB3 ARG 624 HB3 ARG 624 -12.661 -3.350 -7.963 322 HG2 ARG 624 HG2 ARG 624 -13.556 -3.304 -10.298 323 HG3 ARG 624 HG3 ARG 624 -14.091 -4.966 -10.071 324 HD2 ARG 624 HD2 ARG 624 -15.962 -3.517 -9.688 325 HD3 ARG 624 HD3 ARG 624 -15.466 -4.190 -8.138 326 HE ARG 624 HE ARG 624 -14.825 -2.080 -7.443 327 HH11 ARG 624 HH11 ARG 624 -15.670 -1.949 -10.851 328 HH12 ARG 624 HH12 ARG 624 -15.676 -0.218 -10.900 329 HH21 ARG 624 HH21 ARG 624 -14.838 0.187 -7.534 330 HH22 ARG 624 HH22 ARG 624 -15.206 0.989 -9.025 331 H MET 625 H MET 625 -10.394 -6.371 -7.616 332 HA MET 625 HA MET 625 -8.989 -4.547 -5.849 333 HB2 MET 625 HB2 MET 625 -10.293 -6.590 -5.083 334 HB3 MET 625 HB3 MET 625 -8.999 -7.561 -5.773 335 HG2 MET 625 HG2 MET 625 -7.400 -6.591 -4.220 336 HG3 MET 625 HG3 MET 625 -8.643 -5.528 -3.570 337 HE1 MET 625 HE1 MET 625 -8.529 -6.043 -1.207 338 HE2 MET 625 HE2 MET 625 -7.159 -7.150 -1.311 339 HE3 MET 625 HE3 MET 625 -8.622 -7.628 -0.436 340 H GLU 626 H GLU 626 -8.226 -6.956 -8.297 341 HA GLU 626 HA GLU 626 -5.512 -7.290 -7.919 342 HB2 GLU 626 HB2 GLU 626 -6.986 -8.574 -9.486 343 HB3 GLU 626 HB3 GLU 626 -6.868 -7.230 -10.611 344 HG2 GLU 626 HG2 GLU 626 -4.431 -7.549 -10.710 345 HG3 GLU 626 HG3 GLU 626 -4.577 -8.927 -9.618 346 H ASN 627 H ASN 627 -7.130 -4.481 -9.145 347 HA ASN 627 HA ASN 627 -4.838 -3.291 -10.419 348 HB2 ASN 627 HB2 ASN 627 -7.539 -2.205 -9.614 349 HB3 ASN 627 HB3 ASN 627 -6.292 -1.188 -10.320 350 HD21 ASN 627 HD21 ASN 627 -8.951 -1.830 -11.367 351 HD22 ASN 627 HD22 ASN 627 -8.695 -2.561 -12.911 352 H LEU 628 H LEU 628 -6.215 -3.291 -7.214 353 HA LEU 628 HA LEU 628 -4.413 -1.246 -6.233 354 HB2 LEU 628 HB2 LEU 628 -6.593 -2.893 -4.956 355 HB3 LEU 628 HB3 LEU 628 -5.511 -1.935 -3.985 356 HG LEU 628 HG LEU 628 -7.464 -0.851 -6.030 357 HD11 LEU 628 HD11 LEU 628 -8.587 -1.623 -3.993 358 HD12 LEU 628 HD12 LEU 628 -8.640 0.128 -4.198 359 HD13 LEU 628 HD13 LEU 628 -7.517 -0.590 -3.028 360 HD21 LEU 628 HD21 LEU 628 -6.868 1.338 -5.118 361 HD22 LEU 628 HD22 LEU 628 -5.499 0.543 -5.904 362 HD23 LEU 628 HD23 LEU 628 -5.612 0.573 -4.142 363 H VAL 629 H VAL 629 -4.701 -4.757 -6.191 364 HA VAL 629 HA VAL 629 -2.481 -5.421 -4.580 365 HB VAL 629 HB VAL 629 -3.632 -6.832 -7.012 366 HG11 VAL 629 HG11 VAL 629 -2.557 -8.883 -6.255 367 HG12 VAL 629 HG12 VAL 629 -1.746 -7.992 -4.964 368 HG13 VAL 629 HG13 VAL 629 -1.365 -7.642 -6.654 369 HG21 VAL 629 HG21 VAL 629 -5.215 -6.579 -5.187 370 HG22 VAL 629 HG22 VAL 629 -4.067 -7.320 -4.072 371 HG23 VAL 629 HG23 VAL 629 -4.757 -8.270 -5.388 372 H ALA 630 H ALA 630 -2.752 -4.317 -7.898 373 HA ALA 630 HA ALA 630 0.007 -4.831 -8.571 374 HB1 ALA 630 HB1 ALA 630 -1.730 -5.131 -10.232 375 HB2 ALA 630 HB2 ALA 630 -0.600 -3.876 -10.746 376 HB3 ALA 630 HB3 ALA 630 -2.181 -3.432 -10.098 377 H TYR 631 H TYR 631 -1.832 -2.192 -7.285 378 HA TYR 631 HA TYR 631 0.110 -0.147 -7.782 379 HB2 TYR 631 HB2 TYR 631 -2.460 0.017 -7.074 380 HB3 TYR 631 HB3 TYR 631 -1.788 0.004 -5.456 381 HD1 TYR 631 HD1 TYR 631 -3.217 2.148 -7.562 382 HD2 TYR 631 HD2 TYR 631 0.548 1.724 -5.603 383 HE1 TYR 631 HE1 TYR 631 -2.896 4.584 -7.641 384 HE2 TYR 631 HE2 TYR 631 0.867 4.158 -5.683 385 HH TYR 631 HH TYR 631 -1.634 6.318 -6.449 386 H ALA 632 H ALA 632 -0.503 -2.445 -5.177 387 HA ALA 632 HA ALA 632 1.484 -1.325 -3.410 388 HB1 ALA 632 HB1 ALA 632 -0.164 -3.829 -3.272 389 HB2 ALA 632 HB2 ALA 632 -0.421 -2.311 -2.405 390 HB3 ALA 632 HB3 ALA 632 0.985 -3.319 -2.035 391 H LYS 633 H LYS 633 1.265 -3.973 -5.701 392 HA LYS 633 HA LYS 633 3.649 -5.351 -5.018 393 HB2 LYS 633 HB2 LYS 633 1.759 -5.287 -7.326 394 HB3 LYS 633 HB3 LYS 633 3.346 -5.975 -7.614 395 HG2 LYS 633 HG2 LYS 633 2.993 -7.689 -6.001 396 HG3 LYS 633 HG3 LYS 633 1.534 -6.907 -5.405 397 HD2 LYS 633 HD2 LYS 633 0.263 -7.593 -7.189 398 HD3 LYS 633 HD3 LYS 633 1.647 -7.683 -8.269 399 HE2 LYS 633 HE2 LYS 633 2.410 -9.711 -7.122 400 HE3 LYS 633 HE3 LYS 633 1.031 -9.607 -6.028 401 HZ1 LYS 633 HZ1 LYS 633 -0.445 -9.894 -7.930 402 HZ2 LYS 633 HZ2 LYS 633 0.621 -11.200 -7.784 403 HZ3 LYS 633 HZ3 LYS 633 0.887 -10.021 -8.967 404 H LYS 634 H LYS 634 3.002 -2.430 -6.678 405 HA LYS 634 HA LYS 634 5.421 -2.351 -8.265 406 HB2 LYS 634 HB2 LYS 634 3.314 -1.492 -9.171 407 HB3 LYS 634 HB3 LYS 634 3.198 -0.338 -7.856 408 HG2 LYS 634 HG2 LYS 634 3.923 0.688 -9.969 409 HG3 LYS 634 HG3 LYS 634 5.114 0.876 -8.684 410 HD2 LYS 634 HD2 LYS 634 6.436 -0.954 -9.629 411 HD3 LYS 634 HD3 LYS 634 5.226 -1.195 -10.886 412 HE2 LYS 634 HE2 LYS 634 5.689 1.053 -11.759 413 HE3 LYS 634 HE3 LYS 634 6.893 1.301 -10.496 414 HZ1 LYS 634 HZ1 LYS 634 7.920 0.653 -12.579 415 HZ2 LYS 634 HZ2 LYS 634 7.005 -0.768 -12.626 416 HZ3 LYS 634 HZ3 LYS 634 8.163 -0.548 -11.412 417 H VAL 635 H VAL 635 4.220 -0.877 -5.252 418 HA VAL 635 HA VAL 635 5.976 1.346 -5.382 419 HB VAL 635 HB VAL 635 4.305 0.364 -3.083 420 HG11 VAL 635 HG11 VAL 635 4.776 2.532 -2.000 421 HG12 VAL 635 HG12 VAL 635 6.023 2.823 -3.217 422 HG13 VAL 635 HG13 VAL 635 6.178 1.464 -2.104 423 HG21 VAL 635 HG21 VAL 635 3.065 1.332 -4.996 424 HG22 VAL 635 HG22 VAL 635 3.952 2.846 -4.779 425 HG23 VAL 635 HG23 VAL 635 2.880 2.251 -3.504 426 H GLU 636 H GLU 636 6.155 -1.577 -3.295 427 HA GLU 636 HA GLU 636 8.383 -0.771 -1.819 428 HB2 GLU 636 HB2 GLU 636 8.735 -3.175 -1.257 429 HB3 GLU 636 HB3 GLU 636 7.117 -2.577 -0.953 430 HG2 GLU 636 HG2 GLU 636 6.706 -4.637 -1.858 431 HG3 GLU 636 HG3 GLU 636 6.574 -3.573 -3.254 432 H GLY 637 H GLY 637 8.302 -1.933 -5.067 433 HA2 GLY 637 HA2 GLY 637 11.035 -2.744 -5.289 434 HA3 GLY 637 HA3 GLY 637 9.967 -2.323 -6.617 435 H ASP 638 H ASP 638 9.449 0.347 -5.329 436 HA ASP 638 HA ASP 638 11.773 1.785 -6.336 437 HB2 ASP 638 HB2 ASP 638 9.109 2.750 -5.262 438 HB3 ASP 638 HB3 ASP 638 10.375 3.812 -5.867 439 H MET 639 H MET 639 10.503 0.738 -3.303 440 HA MET 639 HA MET 639 11.782 2.651 -1.617 441 HB2 MET 639 HB2 MET 639 10.864 -0.153 -0.952 442 HB3 MET 639 HB3 MET 639 11.313 1.095 0.213 443 HG2 MET 639 HG2 MET 639 9.474 2.489 -0.766 444 HG3 MET 639 HG3 MET 639 8.977 1.064 -1.660 445 HE1 MET 639 HE1 MET 639 9.397 -1.247 -0.008 446 HE2 MET 639 HE2 MET 639 8.717 -1.311 1.619 447 HE3 MET 639 HE3 MET 639 10.295 -0.559 1.349 448 H TYR 640 H TYR 640 12.793 -0.333 -3.117 449 HA TYR 640 HA TYR 640 15.214 -0.679 -1.597 450 HB2 TYR 640 HB2 TYR 640 14.009 -2.552 -2.726 451 HB3 TYR 640 HB3 TYR 640 14.417 -1.840 -4.287 452 HD1 TYR 640 HD1 TYR 640 15.949 -3.299 -1.212 453 HD2 TYR 640 HD2 TYR 640 16.436 -2.364 -5.336 454 HE1 TYR 640 HE1 TYR 640 18.063 -4.554 -1.244 455 HE2 TYR 640 HE2 TYR 640 18.549 -3.618 -5.376 456 HH TYR 640 HH TYR 640 20.281 -4.351 -3.803 457 H GLU 641 H GLU 641 14.218 1.107 -4.377 458 HA GLU 641 HA GLU 641 16.870 1.652 -5.359 459 HB2 GLU 641 HB2 GLU 641 14.068 2.307 -6.251 460 HB3 GLU 641 HB3 GLU 641 15.477 2.952 -7.062 461 HG2 GLU 641 HG2 GLU 641 14.701 0.063 -6.811 462 HG3 GLU 641 HG3 GLU 641 14.589 1.119 -8.210 463 H SER 642 H SER 642 14.467 3.123 -3.298 464 HA SER 642 HA SER 642 15.722 5.761 -3.489 465 HB2 SER 642 HB2 SER 642 13.210 4.932 -2.015 466 HB3 SER 642 HB3 SER 642 13.793 6.584 -2.222 467 HG SER 642 HG SER 642 13.649 6.078 -4.563 468 H ALA 643 H ALA 643 14.921 3.333 -0.995 469 HA ALA 643 HA ALA 643 16.315 4.814 1.067 470 HB1 ALA 643 HB1 ALA 643 14.280 3.645 1.632 471 HB2 ALA 643 HB2 ALA 643 15.634 2.959 2.528 472 HB3 ALA 643 HB3 ALA 643 14.985 2.114 1.122 473 H ASN 644 H ASN 644 18.096 4.003 2.288 474 HA ASN 644 HA ASN 644 19.830 2.140 0.802 475 HB2 ASN 644 HB2 ASN 644 20.603 4.529 2.492 476 HB3 ASN 644 HB3 ASN 644 21.757 3.356 1.873 477 HD21 ASN 644 HD21 ASN 644 21.347 6.276 1.403 478 HD22 ASN 644 HD22 ASN 644 21.283 6.442 -0.315 479 H SER 645 H SER 645 18.117 2.543 3.675 480 HA SER 645 HA SER 645 19.643 0.398 4.993 481 HB2 SER 645 HB2 SER 645 19.394 1.475 7.156 482 HB3 SER 645 HB3 SER 645 20.154 2.614 6.045 483 HG SER 645 HG SER 645 18.561 3.907 6.439 484 H ARG 646 H ARG 646 18.362 -0.794 6.626 485 HA ARG 646 HA ARG 646 15.901 -1.616 5.432 486 HB2 ARG 646 HB2 ARG 646 17.504 -3.198 6.452 487 HB3 ARG 646 HB3 ARG 646 17.159 -2.513 8.032 488 HG2 ARG 646 HG2 ARG 646 14.768 -3.208 7.715 489 HG3 ARG 646 HG3 ARG 646 15.278 -4.062 6.257 490 HD2 ARG 646 HD2 ARG 646 16.861 -5.378 7.642 491 HD3 ARG 646 HD3 ARG 646 16.227 -4.573 9.076 492 HE ARG 646 HE ARG 646 14.966 -6.684 7.559 493 HH11 ARG 646 HH11 ARG 646 14.428 -4.113 9.895 494 HH12 ARG 646 HH12 ARG 646 12.972 -4.822 10.508 495 HH21 ARG 646 HH21 ARG 646 13.059 -7.591 8.381 496 HH22 ARG 646 HH22 ARG 646 12.199 -6.789 9.654 497 H ASP 647 H ASP 647 16.695 0.478 8.101 498 HA ASP 647 HA ASP 647 14.052 0.426 9.268 499 HB2 ASP 647 HB2 ASP 647 16.433 2.231 9.762 500 HB3 ASP 647 HB3 ASP 647 14.921 2.331 10.658 501 H GLU 648 H GLU 648 15.720 2.273 6.842 502 HA GLU 648 HA GLU 648 13.678 4.335 6.691 503 HB2 GLU 648 HB2 GLU 648 16.136 4.747 6.231 504 HB3 GLU 648 HB3 GLU 648 15.956 3.797 4.765 505 HG2 GLU 648 HG2 GLU 648 15.884 6.174 4.284 506 HG3 GLU 648 HG3 GLU 648 14.339 5.410 3.905 507 H TYR 649 H TYR 649 14.809 1.571 4.775 508 HA TYR 649 HA TYR 649 13.092 1.690 2.602 509 HB2 TYR 649 HB2 TYR 649 14.984 0.217 2.594 510 HB3 TYR 649 HB3 TYR 649 14.417 -0.628 4.019 511 HD1 TYR 649 HD1 TYR 649 13.642 -0.074 0.416 512 HD2 TYR 649 HD2 TYR 649 13.166 -2.573 3.821 513 HE1 TYR 649 HE1 TYR 649 12.611 -1.841 -1.005 514 HE2 TYR 649 HE2 TYR 649 12.151 -4.303 2.428 515 HH TYR 649 HH TYR 649 12.239 -4.330 -0.874 516 H TYR 650 H TYR 650 12.605 -0.150 5.623 517 HA TYR 650 HA TYR 650 9.943 -0.925 5.087 518 HB2 TYR 650 HB2 TYR 650 11.590 -0.783 7.612 519 HB3 TYR 650 HB3 TYR 650 9.911 -1.303 7.634 520 HD1 TYR 650 HD1 TYR 650 12.973 -2.036 5.603 521 HD2 TYR 650 HD2 TYR 650 9.591 -3.597 7.661 522 HE1 TYR 650 HE1 TYR 650 13.664 -4.303 4.996 523 HE2 TYR 650 HE2 TYR 650 10.286 -5.882 7.073 524 HH TYR 650 HH TYR 650 13.355 -6.606 5.821 525 H HIS 651 H HIS 651 11.208 2.109 5.972 526 HA HIS 651 HA HIS 651 8.922 3.034 7.473 527 HB2 HIS 651 HB2 HIS 651 11.051 3.911 8.110 528 HB3 HIS 651 HB3 HIS 651 11.381 4.425 6.468 529 HD1 HIS 651 HD1 HIS 651 8.824 5.189 9.173 530 HD2 HIS 651 HD2 HIS 651 10.857 7.079 6.081 531 HE1 HIS 651 HE1 HIS 651 8.172 7.612 9.318 532 HE2 HIS 651 HE2 HIS 651 9.474 8.749 7.485 533 H LEU 652 H LEU 652 10.172 3.538 4.146 534 HA LEU 652 HA LEU 652 8.353 5.497 3.342 535 HB2 LEU 652 HB2 LEU 652 9.708 3.331 1.767 536 HB3 LEU 652 HB3 LEU 652 8.750 4.575 1.028 537 HG LEU 652 HG LEU 652 11.272 5.078 2.591 538 HD11 LEU 652 HD11 LEU 652 12.472 5.362 0.557 539 HD12 LEU 652 HD12 LEU 652 11.020 5.074 -0.397 540 HD13 LEU 652 HD13 LEU 652 11.723 3.766 0.555 541 HD21 LEU 652 HD21 LEU 652 11.248 7.291 1.632 542 HD22 LEU 652 HD22 LEU 652 9.773 6.979 2.545 543 HD23 LEU 652 HD23 LEU 652 9.743 6.922 0.782 544 H LEU 653 H LEU 653 7.886 2.055 3.741 545 HA LEU 653 HA LEU 653 5.384 2.018 2.271 546 HB2 LEU 653 HB2 LEU 653 6.781 0.053 2.119 547 HB3 LEU 653 HB3 LEU 653 6.814 -0.106 3.859 548 HG LEU 653 HG LEU 653 4.355 -0.596 3.803 549 HD11 LEU 653 HD11 LEU 653 4.708 -0.952 0.860 550 HD12 LEU 653 HD12 LEU 653 4.069 0.543 1.548 551 HD13 LEU 653 HD13 LEU 653 3.222 -0.987 1.806 552 HD21 LEU 653 HD21 LEU 653 5.830 -2.505 2.020 553 HD22 LEU 653 HD22 LEU 653 4.558 -2.851 3.195 554 HD23 LEU 653 HD23 LEU 653 6.165 -2.385 3.745 555 H ALA 654 H ALA 654 6.506 2.106 5.595 556 HA ALA 654 HA ALA 654 3.936 1.796 6.821 557 HB1 ALA 654 HB1 ALA 654 6.043 1.338 8.004 558 HB2 ALA 654 HB2 ALA 654 5.026 2.496 8.860 559 HB3 ALA 654 HB3 ALA 654 6.431 3.059 7.952 560 H GLU 655 H GLU 655 5.695 4.469 5.431 561 HA GLU 655 HA GLU 655 4.150 6.562 6.615 562 HB2 GLU 655 HB2 GLU 655 6.403 6.987 5.705 563 HB3 GLU 655 HB3 GLU 655 5.817 6.629 4.089 564 HG2 GLU 655 HG2 GLU 655 4.344 8.562 4.177 565 HG3 GLU 655 HG3 GLU 655 4.875 8.896 5.827 566 H LYS 656 H LYS 656 3.921 4.844 3.500 567 HA LYS 656 HA LYS 656 1.656 6.290 2.558 568 HB2 LYS 656 HB2 LYS 656 2.570 3.489 1.910 569 HB3 LYS 656 HB3 LYS 656 1.232 4.273 1.111 570 HG2 LYS 656 HG2 LYS 656 2.799 6.013 0.280 571 HG3 LYS 656 HG3 LYS 656 4.134 5.101 0.993 572 HD2 LYS 656 HD2 LYS 656 3.808 3.287 -0.497 573 HD3 LYS 656 HD3 LYS 656 2.232 3.890 -1.010 574 HE2 LYS 656 HE2 LYS 656 3.762 4.367 -2.764 575 HE3 LYS 656 HE3 LYS 656 3.410 5.894 -1.955 576 HZ1 LYS 656 HZ1 LYS 656 5.768 5.654 -2.410 577 HZ2 LYS 656 HZ2 LYS 656 5.825 4.221 -1.514 578 HZ3 LYS 656 HZ3 LYS 656 5.489 5.687 -0.741 579 H ILE 657 H ILE 657 2.135 3.769 4.843 580 HA ILE 657 HA ILE 657 -0.515 2.680 4.826 581 HB ILE 657 HB ILE 657 1.954 2.315 6.486 582 HG12 ILE 657 HG12 ILE 657 0.124 0.290 5.181 583 HG13 ILE 657 HG13 ILE 657 1.436 1.087 4.335 584 HG21 ILE 657 HG21 ILE 657 0.053 2.475 8.136 585 HG22 ILE 657 HG22 ILE 657 0.964 0.960 8.154 586 HG23 ILE 657 HG23 ILE 657 -0.621 1.026 7.379 587 HD11 ILE 657 HD11 ILE 657 3.061 0.017 5.773 588 HD12 ILE 657 HD12 ILE 657 1.991 -1.201 5.078 589 HD13 ILE 657 HD13 ILE 657 1.772 -0.688 6.750 590 H TYR 658 H TYR 658 1.097 5.287 6.501 591 HA TYR 658 HA TYR 658 -1.008 5.625 8.453 592 HB2 TYR 658 HB2 TYR 658 1.516 7.154 7.827 593 HB3 TYR 658 HB3 TYR 658 0.364 7.710 9.026 594 HD1 TYR 658 HD1 TYR 658 3.415 6.354 8.884 595 HD2 TYR 658 HD2 TYR 658 -0.393 5.369 10.515 596 HE1 TYR 658 HE1 TYR 658 4.508 4.940 10.573 597 HE2 TYR 658 HE2 TYR 658 0.694 3.951 12.204 598 HH TYR 658 HH TYR 658 2.806 2.734 12.506 599 H LYS 659 H LYS 659 -0.026 7.027 5.390 600 HA LYS 659 HA LYS 659 -1.725 9.338 5.542 601 HB2 LYS 659 HB2 LYS 659 -0.197 8.135 3.252 602 HB3 LYS 659 HB3 LYS 659 -1.148 9.595 3.099 603 HG2 LYS 659 HG2 LYS 659 0.293 10.684 4.773 604 HG3 LYS 659 HG3 LYS 659 1.255 9.218 4.888 605 HD2 LYS 659 HD2 LYS 659 1.908 9.467 2.522 606 HD3 LYS 659 HD3 LYS 659 0.935 10.930 2.412 607 HE2 LYS 659 HE2 LYS 659 2.370 11.970 4.130 608 HE3 LYS 659 HE3 LYS 659 3.344 10.507 4.158 609 HZ1 LYS 659 HZ1 LYS 659 2.962 12.270 1.799 610 HZ2 LYS 659 HZ2 LYS 659 3.915 10.873 1.839 611 HZ3 LYS 659 HZ3 LYS 659 4.346 12.217 2.771 612 H ILE 660 H ILE 660 -2.025 6.126 4.187 613 HA ILE 660 HA ILE 660 -4.494 6.668 2.796 614 HB ILE 660 HB ILE 660 -3.072 4.068 3.456 615 HG12 ILE 660 HG12 ILE 660 -3.537 5.375 0.762 616 HG13 ILE 660 HG13 ILE 660 -2.100 5.677 1.731 617 HG21 ILE 660 HG21 ILE 660 -5.561 4.445 1.780 618 HG22 ILE 660 HG22 ILE 660 -5.491 3.679 3.368 619 HG23 ILE 660 HG23 ILE 660 -4.676 2.936 1.993 620 HD11 ILE 660 HD11 ILE 660 -2.957 3.032 0.574 621 HD12 ILE 660 HD12 ILE 660 -1.545 3.274 1.609 622 HD13 ILE 660 HD13 ILE 660 -1.625 4.047 0.022 623 H GLN 661 H GLN 661 -3.533 5.687 5.967 624 HA GLN 661 HA GLN 661 -6.112 4.890 6.905 625 HB2 GLN 661 HB2 GLN 661 -3.520 5.580 8.260 626 HB3 GLN 661 HB3 GLN 661 -4.976 5.262 9.188 627 HG2 GLN 661 HG2 GLN 661 -5.110 3.026 8.314 628 HG3 GLN 661 HG3 GLN 661 -3.792 3.331 7.200 629 HE21 GLN 661 HE21 GLN 661 -3.284 1.168 8.487 630 HE22 GLN 661 HE22 GLN 661 -2.241 1.379 9.849 631 H LYS 662 H LYS 662 -4.579 7.942 6.400 632 HA LYS 662 HA LYS 662 -6.171 9.507 8.223 633 HB2 LYS 662 HB2 LYS 662 -3.981 10.302 7.446 634 HB3 LYS 662 HB3 LYS 662 -4.584 10.352 5.806 635 HG2 LYS 662 HG2 LYS 662 -6.194 12.116 6.516 636 HG3 LYS 662 HG3 LYS 662 -5.434 12.118 8.089 637 HD2 LYS 662 HD2 LYS 662 -3.304 12.764 6.982 638 HD3 LYS 662 HD3 LYS 662 -4.166 12.881 5.456 639 HE2 LYS 662 HE2 LYS 662 -4.940 14.415 7.888 640 HE3 LYS 662 HE3 LYS 662 -3.784 15.027 6.726 641 HZ1 LYS 662 HZ1 LYS 662 -5.488 14.843 5.003 642 HZ2 LYS 662 HZ2 LYS 662 -5.981 15.879 6.245 643 HZ3 LYS 662 HZ3 LYS 662 -6.611 14.311 6.153 644 H GLU 663 H GLU 663 -6.383 8.675 4.794 645 HA GLU 663 HA GLU 663 -8.458 10.472 4.130 646 HB2 GLU 663 HB2 GLU 663 -7.280 8.067 2.770 647 HB3 GLU 663 HB3 GLU 663 -8.617 8.948 2.083 648 HG2 GLU 663 HG2 GLU 663 -5.879 10.023 2.642 649 HG3 GLU 663 HG3 GLU 663 -6.574 9.660 1.071 650 H LEU 664 H LEU 664 -8.512 6.960 4.741 651 HA LEU 664 HA LEU 664 -11.266 6.533 4.578 652 HB2 LEU 664 HB2 LEU 664 -9.220 5.140 6.305 653 HB3 LEU 664 HB3 LEU 664 -10.868 4.593 6.140 654 HG LEU 664 HG LEU 664 -8.897 4.748 3.852 655 HD11 LEU 664 HD11 LEU 664 -8.571 2.398 4.024 656 HD12 LEU 664 HD12 LEU 664 -9.755 2.269 5.320 657 HD13 LEU 664 HD13 LEU 664 -8.230 3.108 5.603 658 HD21 LEU 664 HD21 LEU 664 -11.444 3.175 3.935 659 HD22 LEU 664 HD22 LEU 664 -10.440 3.574 2.542 660 HD23 LEU 664 HD23 LEU 664 -11.382 4.836 3.341 661 H GLU 665 H GLU 665 -9.541 8.239 7.020 662 HA GLU 665 HA GLU 665 -11.210 7.750 9.255 663 HB2 GLU 665 HB2 GLU 665 -9.110 9.760 8.610 664 HB3 GLU 665 HB3 GLU 665 -10.184 10.061 9.972 665 HG2 GLU 665 HG2 GLU 665 -9.506 8.032 11.040 666 HG3 GLU 665 HG3 GLU 665 -8.573 7.548 9.625 667 H GLU 666 H GLU 666 -11.750 9.730 6.485 668 HA GLU 666 HA GLU 666 -13.637 11.501 7.734 669 HB2 GLU 666 HB2 GLU 666 -13.083 10.897 4.825 670 HB3 GLU 666 HB3 GLU 666 -14.308 12.039 5.344 671 HG2 GLU 666 HG2 GLU 666 -11.349 12.259 5.887 672 HG3 GLU 666 HG3 GLU 666 -12.251 13.161 4.672 673 H LYS 667 H LYS 667 -13.768 8.293 6.498 674 HA LYS 667 HA LYS 667 -16.661 8.171 6.303 675 HB2 LYS 667 HB2 LYS 667 -14.526 6.046 6.125 676 HB3 LYS 667 HB3 LYS 667 -16.244 5.705 6.043 677 HG2 LYS 667 HG2 LYS 667 -15.562 5.756 3.814 678 HG3 LYS 667 HG3 LYS 667 -16.312 7.329 4.077 679 HD2 LYS 667 HD2 LYS 667 -14.000 8.244 4.505 680 HD3 LYS 667 HD3 LYS 667 -13.362 6.698 3.963 681 HE2 LYS 667 HE2 LYS 667 -13.747 7.146 1.803 682 HE3 LYS 667 HE3 LYS 667 -15.279 7.948 2.123 683 HZ1 LYS 667 HZ1 LYS 667 -12.584 9.141 2.499 684 HZ2 LYS 667 HZ2 LYS 667 -14.052 9.915 2.830 685 HZ3 LYS 667 HZ3 LYS 667 -13.658 9.496 1.241 686 H ARG 668 H ARG 668 -14.302 7.886 8.744 687 HA ARG 668 HA ARG 668 -15.700 6.035 10.454 688 HB2 ARG 668 HB2 ARG 668 -13.294 7.806 10.908 689 HB3 ARG 668 HB3 ARG 668 -13.900 6.658 12.088 690 HG2 ARG 668 HG2 ARG 668 -13.483 4.838 10.512 691 HG3 ARG 668 HG3 ARG 668 -12.833 5.996 9.354 692 HD2 ARG 668 HD2 ARG 668 -11.103 6.633 10.951 693 HD3 ARG 668 HD3 ARG 668 -11.760 5.494 12.125 694 HE ARG 668 HE ARG 668 -11.194 4.047 9.826 695 HH11 ARG 668 HH11 ARG 668 -9.369 5.888 12.197 696 HH12 ARG 668 HH12 ARG 668 -7.926 4.952 11.982 697 HH21 ARG 668 HH21 ARG 668 -9.295 2.838 9.562 698 HH22 ARG 668 HH22 ARG 668 -7.886 3.229 10.489 699 H ARG 669 H ARG 669 -15.466 9.521 10.120 700 HA ARG 669 HA ARG 669 -16.908 10.012 12.608 701 HB2 ARG 669 HB2 ARG 669 -15.704 11.866 10.546 702 HB3 ARG 669 HB3 ARG 669 -16.585 12.433 11.954 703 HG2 ARG 669 HG2 ARG 669 -14.907 11.253 13.381 704 HG3 ARG 669 HG3 ARG 669 -13.975 10.934 11.916 705 HD2 ARG 669 HD2 ARG 669 -14.857 13.716 12.519 706 HD3 ARG 669 HD3 ARG 669 -13.490 13.030 13.397 707 HE ARG 669 HE ARG 669 -13.593 13.723 10.576 708 HH11 ARG 669 HH11 ARG 669 -11.767 12.153 13.137 709 HH12 ARG 669 HH12 ARG 669 -10.281 12.178 12.247 710 HH21 ARG 669 HH21 ARG 669 -11.637 13.741 9.433 711 HH22 ARG 669 HH22 ARG 669 -10.209 13.078 10.154 712 H SER 670 H SER 670 -17.636 9.448 9.345 713 HA SER 670 HA SER 670 -20.006 11.109 9.213 714 HB2 SER 670 HB2 SER 670 -20.245 10.256 6.954 715 HB3 SER 670 HB3 SER 670 -18.580 10.767 7.225 716 HG SER 670 HG SER 670 -19.631 8.146 7.085 717 H ARG 671 H ARG 671 -19.328 8.111 10.552 718 HA ARG 671 HA ARG 671 -21.796 6.784 9.939 719 HB2 ARG 671 HB2 ARG 671 -19.506 6.153 11.756 720 HB3 ARG 671 HB3 ARG 671 -20.934 5.157 11.641 721 HG2 ARG 671 HG2 ARG 671 -20.522 4.792 9.282 722 HG3 ARG 671 HG3 ARG 671 -19.095 5.820 9.392 723 HD2 ARG 671 HD2 ARG 671 -18.147 4.275 11.046 724 HD3 ARG 671 HD3 ARG 671 -19.588 3.276 10.863 725 HE ARG 671 HE ARG 671 -18.532 3.551 8.332 726 HH11 ARG 671 HH11 ARG 671 -17.415 2.185 11.371 727 HH12 ARG 671 HH12 ARG 671 -16.398 1.015 10.602 728 HH21 ARG 671 HH21 ARG 671 -17.193 2.011 7.351 729 HH22 ARG 671 HH22 ARG 671 -16.273 0.917 8.328 730 H LEU 672 H LEU 672 -21.003 9.254 11.968 731 HA LEU 672 HA LEU 672 -22.776 8.402 14.145 732 HB2 LEU 672 HB2 LEU 672 -20.567 10.465 14.168 733 HB3 LEU 672 HB3 LEU 672 -21.608 10.107 15.528 734 HG LEU 672 HG LEU 672 -19.738 8.092 14.269 735 HD11 LEU 672 HD11 LEU 672 -18.241 8.445 16.122 736 HD12 LEU 672 HD12 LEU 672 -19.325 9.648 16.818 737 HD13 LEU 672 HD13 LEU 672 -18.505 9.979 15.293 738 HD21 LEU 672 HD21 LEU 672 -20.154 6.811 16.304 739 HD22 LEU 672 HD22 LEU 672 -21.651 7.115 15.424 740 HD23 LEU 672 HD23 LEU 672 -21.269 8.056 16.865 741 H1 GLY 519 H1 GLY 519 -10.843 21.172 -6.885 742 H2 GLY 519 H2 GLY 519 -11.796 21.856 -5.666 743 H3 GLY 519 H3 GLY 519 -10.113 21.828 -5.506 744 HA2 GLY 519 HA2 GLY 519 -11.638 23.356 -7.546 745 HA3 GLY 519 HA3 GLY 519 -10.887 24.039 -6.111 746 H SER 520 H SER 520 -8.851 24.724 -6.229 747 HA SER 520 HA SER 520 -6.805 25.293 -7.001 748 HB2 SER 520 HB2 SER 520 -6.192 22.967 -6.772 749 HB3 SER 520 HB3 SER 520 -6.935 22.569 -8.319 750 HG SER 520 HG SER 520 -5.274 24.387 -8.969 751 HA PRO 521 HA PRO 521 -7.955 27.257 -10.898 752 HB2 PRO 521 HB2 PRO 521 -5.949 29.103 -10.957 753 HB3 PRO 521 HB3 PRO 521 -7.381 29.261 -9.943 754 HG2 PRO 521 HG2 PRO 521 -4.704 28.383 -9.215 755 HG3 PRO 521 HG3 PRO 521 -5.750 29.298 -8.358 756 HD2 PRO 521 HD2 PRO 521 -5.317 26.807 -7.874 757 HD3 PRO 521 HD3 PRO 521 -6.700 27.574 -7.466 758 H GLY 522 H GLY 522 -4.824 25.840 -10.252 759 HA2 GLY 522 HA2 GLY 522 -4.516 25.260 -13.116 760 HA3 GLY 522 HA3 GLY 522 -3.175 26.000 -12.255 761 H TYR 523 H TYR 523 -3.718 23.287 -13.580 762 HA TYR 523 HA TYR 523 -2.976 21.589 -11.299 763 HB2 TYR 523 HB2 TYR 523 -4.315 20.814 -13.901 764 HB3 TYR 523 HB3 TYR 523 -3.746 19.657 -12.709 765 HD1 TYR 523 HD1 TYR 523 -6.630 20.560 -13.931 766 HD2 TYR 523 HD2 TYR 523 -4.646 20.931 -10.183 767 HE1 TYR 523 HE1 TYR 523 -8.807 20.704 -12.799 768 HE2 TYR 523 HE2 TYR 523 -6.819 21.073 -9.042 769 HH TYR 523 HH TYR 523 -9.147 21.704 -9.588 770 HA PRO 524 HA PRO 524 1.136 21.552 -13.347 771 HB2 PRO 524 HB2 PRO 524 1.684 19.787 -11.010 772 HB3 PRO 524 HB3 PRO 524 2.610 21.167 -11.618 773 HG2 PRO 524 HG2 PRO 524 1.174 21.485 -9.487 774 HG3 PRO 524 HG3 PRO 524 1.136 22.659 -10.622 775 HD2 PRO 524 HD2 PRO 524 -0.874 20.585 -10.203 776 HD3 PRO 524 HD3 PRO 524 -1.153 22.179 -10.424 777 H ASN 525 H ASN 525 2.383 19.959 -14.397 778 HA ASN 525 HA ASN 525 0.907 17.528 -15.036 779 HB2 ASN 525 HB2 ASN 525 3.358 18.774 -16.299 780 HB3 ASN 525 HB3 ASN 525 2.609 17.282 -16.856 781 HD21 ASN 525 HD21 ASN 525 2.931 20.295 -17.723 782 HD22 ASN 525 HD22 ASN 525 1.384 20.631 -18.415 783 H GLY 526 H GLY 526 1.406 15.573 -14.312 784 HA2 GLY 526 HA2 GLY 526 3.122 13.882 -13.863 785 HA3 GLY 526 HA3 GLY 526 4.061 15.144 -13.084 786 H LEU 527 H LEU 527 1.564 16.215 -11.804 787 HA LEU 527 HA LEU 527 1.488 14.325 -9.563 788 HB2 LEU 527 HB2 LEU 527 0.695 17.246 -9.658 789 HB3 LEU 527 HB3 LEU 527 0.746 16.240 -8.225 790 HG LEU 527 HG LEU 527 3.140 17.088 -9.870 791 HD11 LEU 527 HD11 LEU 527 2.188 18.915 -8.581 792 HD12 LEU 527 HD12 LEU 527 3.727 18.400 -7.889 793 HD13 LEU 527 HD13 LEU 527 2.212 17.919 -7.126 794 HD21 LEU 527 HD21 LEU 527 4.479 16.091 -8.068 795 HD22 LEU 527 HD22 LEU 527 3.496 14.880 -8.889 796 HD23 LEU 527 HD23 LEU 527 3.006 15.488 -7.309 797 H LEU 528 H LEU 528 -0.869 15.311 -8.344 798 HA LEU 528 HA LEU 528 -3.043 14.802 -8.110 799 HB2 LEU 528 HB2 LEU 528 -3.087 15.569 -11.030 800 HB3 LEU 528 HB3 LEU 528 -4.500 15.384 -10.029 801 HG LEU 528 HG LEU 528 -2.340 17.472 -9.646 802 HD11 LEU 528 HD11 LEU 528 -5.150 17.757 -10.706 803 HD12 LEU 528 HD12 LEU 528 -3.664 17.918 -11.640 804 HD13 LEU 528 HD13 LEU 528 -4.037 19.082 -10.370 805 HD21 LEU 528 HD21 LEU 528 -3.849 18.448 -8.000 806 HD22 LEU 528 HD22 LEU 528 -3.383 16.810 -7.541 807 HD23 LEU 528 HD23 LEU 528 -4.977 17.114 -8.231 808 H SER 529 H SER 529 -1.052 12.762 -9.523 809 HA SER 529 HA SER 529 -3.078 10.656 -9.794 810 HB2 SER 529 HB2 SER 529 -1.936 9.720 -11.758 811 HB3 SER 529 HB3 SER 529 -2.474 11.367 -12.074 812 HG SER 529 HG SER 529 -0.132 10.541 -12.529 813 H GLY 530 H GLY 530 -0.496 11.710 -8.131 814 HA2 GLY 530 HA2 GLY 530 1.000 9.209 -7.977 815 HA3 GLY 530 HA3 GLY 530 1.412 10.721 -7.186 816 H ASP 531 H ASP 531 -0.515 11.377 -5.569 817 HA ASP 531 HA ASP 531 -1.165 9.005 -3.950 818 HB2 ASP 531 HB2 ASP 531 -0.109 11.632 -2.874 819 HB3 ASP 531 HB3 ASP 531 -0.619 10.259 -1.901 820 H GLU 532 H GLU 532 -2.411 11.396 -5.693 821 HA GLU 532 HA GLU 532 -4.550 12.182 -3.911 822 HB2 GLU 532 HB2 GLU 532 -3.972 13.029 -6.734 823 HB3 GLU 532 HB3 GLU 532 -5.124 13.764 -5.655 824 HG2 GLU 532 HG2 GLU 532 -2.250 13.622 -4.910 825 HG3 GLU 532 HG3 GLU 532 -2.808 14.858 -6.030 826 H ASP 533 H ASP 533 -3.954 9.701 -5.879 827 HA ASP 533 HA ASP 533 -6.555 9.433 -7.147 828 HB2 ASP 533 HB2 ASP 533 -3.929 8.027 -7.321 829 HB3 ASP 533 HB3 ASP 533 -5.368 7.121 -7.771 830 H PHE 534 H PHE 534 -5.238 8.672 -4.141 831 HA PHE 534 HA PHE 534 -6.703 6.205 -3.697 832 HB2 PHE 534 HB2 PHE 534 -4.865 7.874 -1.990 833 HB3 PHE 534 HB3 PHE 534 -5.814 6.573 -1.288 834 HD1 PHE 534 HD1 PHE 534 -2.940 7.435 -3.300 835 HD2 PHE 534 HD2 PHE 534 -5.398 4.231 -1.971 836 HE1 PHE 534 HE1 PHE 534 -1.185 5.829 -3.946 837 HE2 PHE 534 HE2 PHE 534 -3.648 2.620 -2.595 838 HZ PHE 534 HZ PHE 534 -1.573 3.407 -3.643 839 H SER 535 H SER 535 -7.316 9.455 -3.537 840 HA SER 535 HA SER 535 -9.235 9.461 -1.389 841 HB2 SER 535 HB2 SER 535 -9.740 11.756 -2.121 842 HB3 SER 535 HB3 SER 535 -8.003 11.511 -1.961 843 HG SER 535 HG SER 535 -9.044 12.548 -3.982 844 H SER 536 H SER 536 -9.349 9.292 -4.915 845 HA SER 536 HA SER 536 -12.236 9.018 -4.922 846 HB2 SER 536 HB2 SER 536 -11.305 10.413 -6.645 847 HB3 SER 536 HB3 SER 536 -10.249 9.108 -7.156 848 HG SER 536 HG SER 536 -12.768 9.612 -7.903 849 H ILE 537 H ILE 537 -9.458 7.087 -6.083 850 HA ILE 537 HA ILE 537 -11.098 4.884 -6.793 851 HB ILE 537 HB ILE 537 -8.104 5.283 -6.785 852 HG12 ILE 537 HG12 ILE 537 -10.017 4.929 -9.101 853 HG13 ILE 537 HG13 ILE 537 -9.540 6.488 -8.453 854 HG21 ILE 537 HG21 ILE 537 -7.857 3.214 -8.092 855 HG22 ILE 537 HG22 ILE 537 -9.560 2.843 -7.816 856 HG23 ILE 537 HG23 ILE 537 -8.436 2.890 -6.459 857 HD11 ILE 537 HD11 ILE 537 -8.329 5.882 -10.495 858 HD12 ILE 537 HD12 ILE 537 -7.644 4.490 -9.652 859 HD13 ILE 537 HD13 ILE 537 -7.267 6.128 -9.106 860 H ALA 538 H ALA 538 -9.040 5.511 -3.958 861 HA ALA 538 HA ALA 538 -9.381 2.808 -3.032 862 HB1 ALA 538 HB1 ALA 538 -7.292 3.995 -2.555 863 HB2 ALA 538 HB2 ALA 538 -8.087 3.459 -1.073 864 HB3 ALA 538 HB3 ALA 538 -8.184 5.150 -1.565 865 H ASP 539 H ASP 539 -11.189 5.565 -2.906 866 HA ASP 539 HA ASP 539 -12.852 4.569 -0.701 867 HB2 ASP 539 HB2 ASP 539 -12.657 7.271 -2.039 868 HB3 ASP 539 HB3 ASP 539 -14.027 6.847 -1.019 869 H MET 540 H MET 540 -12.511 4.462 -3.988 870 HA MET 540 HA MET 540 -15.340 4.044 -4.606 871 HB2 MET 540 HB2 MET 540 -13.986 5.384 -6.142 872 HB3 MET 540 HB3 MET 540 -12.884 4.042 -6.368 873 HG2 MET 540 HG2 MET 540 -14.660 2.739 -7.414 874 HG3 MET 540 HG3 MET 540 -15.808 4.044 -7.129 875 HE1 MET 540 HE1 MET 540 -16.230 5.961 -8.763 876 HE2 MET 540 HE2 MET 540 -14.929 6.721 -9.681 877 HE3 MET 540 HE3 MET 540 -14.839 6.637 -7.921 878 H ASP 541 H ASP 541 -12.324 2.385 -4.177 879 HA ASP 541 HA ASP 541 -13.333 -0.167 -5.124 880 HB2 ASP 541 HB2 ASP 541 -10.651 0.766 -4.128 881 HB3 ASP 541 HB3 ASP 541 -10.996 -0.929 -4.438 882 H PHE 542 H PHE 542 -13.057 1.515 -2.104 883 HA PHE 542 HA PHE 542 -12.911 -0.759 -0.374 884 HB2 PHE 542 HB2 PHE 542 -12.265 1.528 0.316 885 HB3 PHE 542 HB3 PHE 542 -13.945 2.028 0.198 886 HD1 PHE 542 HD1 PHE 542 -11.754 -0.416 1.976 887 HD2 PHE 542 HD2 PHE 542 -15.288 1.957 2.073 888 HE1 PHE 542 HE1 PHE 542 -12.122 -1.064 4.321 889 HE2 PHE 542 HE2 PHE 542 -15.660 1.315 4.416 890 HZ PHE 542 HZ PHE 542 -14.076 -0.197 5.546 891 H SER 543 H SER 543 -15.512 0.891 -2.006 892 HA SER 543 HA SER 543 -17.642 -0.382 -0.522 893 HB2 SER 543 HB2 SER 543 -19.128 0.727 -2.110 894 HB3 SER 543 HB3 SER 543 -17.912 1.860 -1.530 895 HG SER 543 HG SER 543 -16.812 1.644 -3.462 896 H ALA 544 H ALA 544 -15.759 -1.049 -3.374 897 HA ALA 544 HA ALA 544 -17.510 -3.098 -4.415 898 HB1 ALA 544 HB1 ALA 544 -16.112 -1.795 -5.929 899 HB2 ALA 544 HB2 ALA 544 -15.712 -3.510 -6.029 900 HB3 ALA 544 HB3 ALA 544 -14.662 -2.410 -5.137 901 H LEU 545 H LEU 545 -14.744 -2.926 -2.284 902 HA LEU 545 HA LEU 545 -14.423 -5.790 -2.071 903 HB2 LEU 545 HB2 LEU 545 -13.266 -3.525 -0.453 904 HB3 LEU 545 HB3 LEU 545 -12.795 -5.197 -0.321 905 HG LEU 545 HG LEU 545 -12.426 -3.531 -2.803 906 HD11 LEU 545 HD11 LEU 545 -10.024 -3.637 -2.211 907 HD12 LEU 545 HD12 LEU 545 -10.475 -4.314 -0.647 908 HD13 LEU 545 HD13 LEU 545 -10.983 -2.681 -1.084 909 HD21 LEU 545 HD21 LEU 545 -10.951 -5.374 -3.508 910 HD22 LEU 545 HD22 LEU 545 -12.622 -5.901 -3.310 911 HD23 LEU 545 HD23 LEU 545 -11.423 -6.284 -2.075 912 H LEU 546 H LEU 546 -16.344 -3.341 -0.653 913 HA LEU 546 HA LEU 546 -16.938 -4.683 1.819 914 HB2 LEU 546 HB2 LEU 546 -17.708 -2.176 0.459 915 HB3 LEU 546 HB3 LEU 546 -18.943 -2.865 1.478 916 HG LEU 546 HG LEU 546 -16.203 -1.973 2.341 917 HD11 LEU 546 HD11 LEU 546 -18.955 -0.931 2.970 918 HD12 LEU 546 HD12 LEU 546 -17.735 -0.133 1.982 919 HD13 LEU 546 HD13 LEU 546 -17.461 -0.360 3.708 920 HD21 LEU 546 HD21 LEU 546 -18.399 -3.259 3.953 921 HD22 LEU 546 HD22 LEU 546 -16.928 -2.546 4.614 922 HD23 LEU 546 HD23 LEU 546 -16.828 -3.964 3.572 923 H SER 547 H SER 547 -18.258 -4.558 -1.397 924 HA SER 547 HA SER 547 -20.694 -5.957 -0.827 925 HB2 SER 547 HB2 SER 547 -20.993 -6.041 -3.240 926 HB3 SER 547 HB3 SER 547 -20.451 -4.432 -2.770 927 HG SER 547 HG SER 547 -18.381 -6.117 -3.335 928 H GLN 548 H GLN 548 -17.449 -6.929 -1.172 929 HA GLN 548 HA GLN 548 -17.845 -9.523 -2.289 930 HB2 GLN 548 HB2 GLN 548 -15.521 -8.319 -0.804 931 HB3 GLN 548 HB3 GLN 548 -15.499 -9.943 -1.471 932 HG2 GLN 548 HG2 GLN 548 -15.790 -9.037 -3.718 933 HG3 GLN 548 HG3 GLN 548 -15.875 -7.416 -3.054 934 HE21 GLN 548 HE21 GLN 548 -14.036 -8.323 -5.024 935 HE22 GLN 548 HE22 GLN 548 -12.447 -8.168 -4.364 936 H ILE 549 H ILE 549 -18.519 -8.292 0.736 937 HA ILE 549 HA ILE 549 -18.142 -10.857 2.131 938 HB ILE 549 HB ILE 549 -18.626 -8.073 3.227 939 HG12 ILE 549 HG12 ILE 549 -16.232 -9.883 3.677 940 HG13 ILE 549 HG13 ILE 549 -16.285 -8.636 2.445 941 HG21 ILE 549 HG21 ILE 549 -18.415 -9.024 5.489 942 HG22 ILE 549 HG22 ILE 549 -18.401 -10.644 4.793 943 HG23 ILE 549 HG23 ILE 549 -19.834 -9.630 4.633 944 HD11 ILE 549 HD11 ILE 549 -15.034 -7.870 4.363 945 HD12 ILE 549 HD12 ILE 549 -16.396 -8.209 5.429 946 HD13 ILE 549 HD13 ILE 549 -16.523 -6.933 4.218 947 H SER 550 H SER 550 -20.576 -8.543 1.104 948 HA SER 550 HA SER 550 -22.710 -9.991 2.479 949 HB2 SER 550 HB2 SER 550 -24.164 -8.139 1.690 950 HB3 SER 550 HB3 SER 550 -22.783 -7.562 2.623 951 HG SER 550 HG SER 550 -22.011 -6.607 0.899 952 H SER 551 H SER 551 -21.621 -9.238 -0.804 953 HA SER 551 HA SER 551 -23.587 -11.172 -1.847 954 HB2 SER 551 HB2 SER 551 -23.549 -9.938 -3.971 955 HB3 SER 551 HB3 SER 551 -24.004 -8.870 -2.645 956 HG SER 551 HG SER 551 -21.792 -8.166 -2.616 Start of MODEL 17 1 H1 GLY 586 H1 GLY 586 27.579 -1.639 -8.786 2 H2 GLY 586 H2 GLY 586 28.890 -2.498 -8.153 3 H3 GLY 586 H3 GLY 586 28.539 -0.948 -7.577 4 HA2 GLY 586 HA2 GLY 586 26.439 -1.724 -6.666 5 HA3 GLY 586 HA3 GLY 586 26.804 -3.336 -7.264 6 H VAL 587 H VAL 587 26.974 -1.284 -4.639 7 HA VAL 587 HA VAL 587 29.273 -2.571 -3.381 8 HB VAL 587 HB VAL 587 27.461 -0.342 -2.411 9 HG11 VAL 587 HG11 VAL 587 29.844 -1.563 -1.015 10 HG12 VAL 587 HG12 VAL 587 28.167 -1.619 -0.474 11 HG13 VAL 587 HG13 VAL 587 29.028 -0.081 -0.519 12 HG21 VAL 587 HG21 VAL 587 29.464 1.062 -2.604 13 HG22 VAL 587 HG22 VAL 587 29.026 0.343 -4.153 14 HG23 VAL 587 HG23 VAL 587 30.370 -0.318 -3.222 15 H ARG 588 H ARG 588 29.142 -3.811 -1.489 16 HA ARG 588 HA ARG 588 26.669 -5.338 -1.320 17 HB2 ARG 588 HB2 ARG 588 28.489 -6.782 -1.720 18 HB3 ARG 588 HB3 ARG 588 29.507 -5.977 -0.541 19 HG2 ARG 588 HG2 ARG 588 28.110 -6.918 1.272 20 HG3 ARG 588 HG3 ARG 588 27.148 -7.769 0.064 21 HD2 ARG 588 HD2 ARG 588 29.101 -9.045 -0.627 22 HD3 ARG 588 HD3 ARG 588 30.116 -8.147 0.498 23 HE ARG 588 HE ARG 588 27.962 -9.406 1.854 24 HH11 ARG 588 HH11 ARG 588 31.088 -10.130 0.421 25 HH12 ARG 588 HH12 ARG 588 31.356 -11.511 1.431 26 HH21 ARG 588 HH21 ARG 588 28.336 -11.216 3.161 27 HH22 ARG 588 HH22 ARG 588 29.800 -12.124 2.979 28 H LYS 589 H LYS 589 25.302 -5.165 0.264 29 HA LYS 589 HA LYS 589 26.183 -4.161 2.888 30 HB2 LYS 589 HB2 LYS 589 23.709 -3.334 1.349 31 HB3 LYS 589 HB3 LYS 589 23.971 -2.966 3.043 32 HG2 LYS 589 HG2 LYS 589 25.955 -1.641 2.433 33 HG3 LYS 589 HG3 LYS 589 25.644 -1.984 0.736 34 HD2 LYS 589 HD2 LYS 589 23.538 -0.783 0.848 35 HD3 LYS 589 HD3 LYS 589 23.746 -0.506 2.576 36 HE2 LYS 589 HE2 LYS 589 25.816 0.774 2.064 37 HE3 LYS 589 HE3 LYS 589 25.489 0.556 0.348 38 HZ1 LYS 589 HZ1 LYS 589 23.732 1.982 2.273 39 HZ2 LYS 589 HZ2 LYS 589 23.420 1.778 0.623 40 HZ3 LYS 589 HZ3 LYS 589 24.737 2.714 1.125 41 H GLY 590 H GLY 590 24.391 -4.559 4.577 42 HA2 GLY 590 HA2 GLY 590 24.088 -7.423 4.636 43 HA3 GLY 590 HA3 GLY 590 23.761 -6.311 5.948 44 H TRP 591 H TRP 591 21.924 -4.843 3.863 45 HA TRP 591 HA TRP 591 19.513 -6.022 4.819 46 HB2 TRP 591 HB2 TRP 591 18.342 -4.298 3.665 47 HB3 TRP 591 HB3 TRP 591 19.795 -3.580 4.330 48 HD1 TRP 591 HD1 TRP 591 21.408 -2.364 2.619 49 HE1 TRP 591 HE1 TRP 591 21.291 -1.870 0.099 50 HE3 TRP 591 HE3 TRP 591 17.479 -5.404 1.369 51 HZ2 TRP 591 HZ2 TRP 591 19.747 -2.661 -2.122 52 HZ3 TRP 591 HZ3 TRP 591 16.749 -5.471 -0.979 53 HH2 TRP 591 HH2 TRP 591 17.859 -4.127 -2.685 54 H HIS 592 H HIS 592 21.212 -6.251 1.751 55 HA HIS 592 HA HIS 592 19.130 -7.649 0.375 56 HB2 HIS 592 HB2 HIS 592 20.469 -7.365 -1.423 57 HB3 HIS 592 HB3 HIS 592 21.482 -6.399 -0.361 58 HD1 HIS 592 HD1 HIS 592 23.597 -7.651 0.673 59 HD2 HIS 592 HD2 HIS 592 21.633 -9.669 -2.384 60 HE1 HIS 592 HE1 HIS 592 25.204 -9.421 -0.106 61 HE2 HIS 592 HE2 HIS 592 24.027 -10.570 -2.015 62 H GLU 593 H GLU 593 21.322 -8.591 2.786 63 HA GLU 593 HA GLU 593 21.625 -11.344 1.978 64 HB2 GLU 593 HB2 GLU 593 22.444 -9.817 4.429 65 HB3 GLU 593 HB3 GLU 593 22.648 -11.557 4.314 66 HG2 GLU 593 HG2 GLU 593 24.081 -11.259 2.372 67 HG3 GLU 593 HG3 GLU 593 23.867 -9.513 2.463 68 H HIS 594 H HIS 594 19.411 -9.516 3.951 69 HA HIS 594 HA HIS 594 18.209 -12.026 4.898 70 HB2 HIS 594 HB2 HIS 594 17.966 -9.282 6.132 71 HB3 HIS 594 HB3 HIS 594 17.115 -10.712 6.702 72 HD1 HIS 594 HD1 HIS 594 18.930 -12.740 7.385 73 HD2 HIS 594 HD2 HIS 594 20.212 -8.794 7.503 74 HE1 HIS 594 HE1 HIS 594 20.919 -12.730 8.921 75 HE2 HIS 594 HE2 HIS 594 21.772 -10.361 8.845 76 H VAL 595 H VAL 595 17.544 -9.132 3.020 77 HA VAL 595 HA VAL 595 14.693 -9.620 2.995 78 HB VAL 595 HB VAL 595 16.337 -7.719 1.286 79 HG11 VAL 595 HG11 VAL 595 13.328 -7.966 1.462 80 HG12 VAL 595 HG12 VAL 595 14.321 -8.371 0.061 81 HG13 VAL 595 HG13 VAL 595 14.208 -6.696 0.609 82 HG21 VAL 595 HG21 VAL 595 16.318 -6.927 3.503 83 HG22 VAL 595 HG22 VAL 595 14.612 -7.342 3.718 84 HG23 VAL 595 HG23 VAL 595 15.071 -6.007 2.656 85 H THR 596 H THR 596 13.658 -10.988 1.743 86 HA THR 596 HA THR 596 15.087 -12.224 -0.517 87 HB THR 596 HB THR 596 13.760 -14.244 -0.172 88 HG1 THR 596 HG1 THR 596 12.091 -12.724 1.070 89 HG21 THR 596 HG21 THR 596 15.035 -13.307 2.394 90 HG22 THR 596 HG22 THR 596 15.865 -14.081 1.044 91 HG23 THR 596 HG23 THR 596 14.666 -14.978 1.975 92 H GLN 597 H GLN 597 13.314 -13.437 -1.948 93 HA GLN 597 HA GLN 597 11.481 -11.567 -3.078 94 HB2 GLN 597 HB2 GLN 597 11.666 -14.581 -3.402 95 HB3 GLN 597 HB3 GLN 597 10.652 -13.532 -4.373 96 HG2 GLN 597 HG2 GLN 597 12.633 -12.435 -5.283 97 HG3 GLN 597 HG3 GLN 597 13.658 -13.455 -4.282 98 HE21 GLN 597 HE21 GLN 597 11.086 -15.283 -5.227 99 HE22 GLN 597 HE22 GLN 597 11.778 -16.046 -6.615 100 H ASP 598 H ASP 598 11.397 -13.663 -0.374 101 HA ASP 598 HA ASP 598 8.536 -14.039 -0.294 102 HB2 ASP 598 HB2 ASP 598 10.804 -14.768 1.546 103 HB3 ASP 598 HB3 ASP 598 9.130 -14.952 2.047 104 H LEU 599 H LEU 599 10.917 -11.965 1.428 105 HA LEU 599 HA LEU 599 9.067 -10.763 3.172 106 HB2 LEU 599 HB2 LEU 599 11.820 -10.346 2.474 107 HB3 LEU 599 HB3 LEU 599 11.013 -8.796 2.531 108 HG LEU 599 HG LEU 599 11.042 -10.799 4.804 109 HD11 LEU 599 HD11 LEU 599 12.568 -9.124 5.870 110 HD12 LEU 599 HD12 LEU 599 12.707 -8.334 4.296 111 HD13 LEU 599 HD13 LEU 599 13.263 -9.995 4.512 112 HD21 LEU 599 HD21 LEU 599 10.427 -8.712 6.127 113 HD22 LEU 599 HD22 LEU 599 9.155 -9.425 5.144 114 HD23 LEU 599 HD23 LEU 599 10.005 -7.989 4.578 115 H ARG 600 H ARG 600 10.000 -9.889 -0.136 116 HA ARG 600 HA ARG 600 8.700 -7.386 -0.188 117 HB2 ARG 600 HB2 ARG 600 9.500 -9.242 -2.437 118 HB3 ARG 600 HB3 ARG 600 8.831 -7.643 -2.705 119 HG2 ARG 600 HG2 ARG 600 10.737 -6.655 -1.518 120 HG3 ARG 600 HG3 ARG 600 11.417 -8.264 -1.284 121 HD2 ARG 600 HD2 ARG 600 11.534 -8.551 -3.727 122 HD3 ARG 600 HD3 ARG 600 10.886 -6.926 -3.940 123 HE ARG 600 HE ARG 600 13.107 -6.585 -2.379 124 HH11 ARG 600 HH11 ARG 600 12.548 -8.003 -5.547 125 HH12 ARG 600 HH12 ARG 600 14.137 -7.620 -6.123 126 HH21 ARG 600 HH21 ARG 600 15.179 -6.098 -3.157 127 HH22 ARG 600 HH22 ARG 600 15.622 -6.544 -4.771 128 H SER 601 H SER 601 7.440 -10.586 -0.442 129 HA SER 601 HA SER 601 4.957 -9.823 -1.723 130 HB2 SER 601 HB2 SER 601 4.359 -12.175 -1.520 131 HB3 SER 601 HB3 SER 601 6.016 -12.044 -2.106 132 HG SER 601 HG SER 601 6.691 -12.388 0.089 133 H HIS 602 H HIS 602 6.109 -10.456 1.546 134 HA HIS 602 HA HIS 602 3.495 -10.567 2.754 135 HB2 HIS 602 HB2 HIS 602 6.253 -10.307 3.985 136 HB3 HIS 602 HB3 HIS 602 4.775 -10.592 4.890 137 HD1 HIS 602 HD1 HIS 602 7.107 -12.578 5.058 138 HD2 HIS 602 HD2 HIS 602 3.940 -12.938 2.392 139 HE1 HIS 602 HE1 HIS 602 7.006 -15.019 4.461 140 HE2 HIS 602 HE2 HIS 602 5.125 -15.203 2.796 141 H LEU 603 H LEU 603 5.979 -8.108 2.337 142 HA LEU 603 HA LEU 603 4.743 -6.047 3.792 143 HB2 LEU 603 HB2 LEU 603 6.781 -6.153 1.618 144 HB3 LEU 603 HB3 LEU 603 6.225 -4.622 2.276 145 HG LEU 603 HG LEU 603 7.472 -6.867 3.861 146 HD11 LEU 603 HD11 LEU 603 9.125 -5.808 2.456 147 HD12 LEU 603 HD12 LEU 603 9.392 -5.442 4.160 148 HD13 LEU 603 HD13 LEU 603 8.671 -4.227 3.099 149 HD21 LEU 603 HD21 LEU 603 6.296 -5.888 5.472 150 HD22 LEU 603 HD22 LEU 603 6.189 -4.347 4.623 151 HD23 LEU 603 HD23 LEU 603 7.675 -4.782 5.475 152 H VAL 604 H VAL 604 4.228 -7.292 0.602 153 HA VAL 604 HA VAL 604 2.493 -5.160 -0.288 154 HB VAL 604 HB VAL 604 3.321 -7.849 -1.405 155 HG11 VAL 604 HG11 VAL 604 0.892 -6.890 -2.014 156 HG12 VAL 604 HG12 VAL 604 1.910 -7.740 -3.173 157 HG13 VAL 604 HG13 VAL 604 1.868 -5.981 -3.168 158 HG21 VAL 604 HG21 VAL 604 4.886 -5.889 -1.361 159 HG22 VAL 604 HG22 VAL 604 3.762 -5.064 -2.456 160 HG23 VAL 604 HG23 VAL 604 4.561 -6.557 -2.969 161 H HIS 605 H HIS 605 2.227 -8.279 1.301 162 HA HIS 605 HA HIS 605 -0.662 -8.284 1.319 163 HB2 HIS 605 HB2 HIS 605 0.700 -10.386 1.418 164 HB3 HIS 605 HB3 HIS 605 1.250 -9.908 3.015 165 HD1 HIS 605 HD1 HIS 605 0.031 -11.111 4.790 166 HD2 HIS 605 HD2 HIS 605 -2.371 -10.398 1.481 167 HE1 HIS 605 HE1 HIS 605 -2.198 -12.137 5.346 168 HE2 HIS 605 HE2 HIS 605 -3.662 -11.622 3.361 169 H LYS 606 H LYS 606 1.860 -6.811 3.064 170 HA LYS 606 HA LYS 606 0.366 -6.200 5.484 171 HB2 LYS 606 HB2 LYS 606 2.807 -6.455 5.564 172 HB3 LYS 606 HB3 LYS 606 2.994 -5.179 4.376 173 HG2 LYS 606 HG2 LYS 606 2.129 -3.544 5.987 174 HG3 LYS 606 HG3 LYS 606 1.948 -4.829 7.178 175 HD2 LYS 606 HD2 LYS 606 4.350 -5.251 7.130 176 HD3 LYS 606 HD3 LYS 606 4.545 -3.953 5.944 177 HE2 LYS 606 HE2 LYS 606 3.591 -2.358 7.589 178 HE3 LYS 606 HE3 LYS 606 3.525 -3.663 8.754 179 HZ1 LYS 606 HZ1 LYS 606 5.996 -2.614 7.506 180 HZ2 LYS 606 HZ2 LYS 606 5.924 -3.871 8.636 181 HZ3 LYS 606 HZ3 LYS 606 5.481 -2.303 9.087 182 H LEU 607 H LEU 607 0.748 -5.031 2.337 183 HA LEU 607 HA LEU 607 0.095 -2.259 2.789 184 HB2 LEU 607 HB2 LEU 607 1.530 -3.565 0.961 185 HB3 LEU 607 HB3 LEU 607 0.016 -3.586 0.112 186 HG LEU 607 HG LEU 607 0.289 -1.494 -0.625 187 HD11 LEU 607 HD11 LEU 607 0.092 -0.770 1.981 188 HD12 LEU 607 HD12 LEU 607 0.209 0.317 0.595 189 HD13 LEU 607 HD13 LEU 607 1.659 -0.107 1.509 190 HD21 LEU 607 HD21 LEU 607 2.574 -0.684 -0.686 191 HD22 LEU 607 HD22 LEU 607 2.407 -2.397 -1.081 192 HD23 LEU 607 HD23 LEU 607 3.010 -1.910 0.506 193 H VAL 608 H VAL 608 -1.432 -5.111 1.325 194 HA VAL 608 HA VAL 608 -3.797 -3.830 0.446 195 HB VAL 608 HB VAL 608 -4.664 -6.124 0.065 196 HG11 VAL 608 HG11 VAL 608 -1.787 -5.810 -0.793 197 HG12 VAL 608 HG12 VAL 608 -3.198 -5.151 -1.624 198 HG13 VAL 608 HG13 VAL 608 -2.970 -6.897 -1.521 199 HG21 VAL 608 HG21 VAL 608 -3.741 -7.194 2.071 200 HG22 VAL 608 HG22 VAL 608 -2.116 -7.062 1.399 201 HG23 VAL 608 HG23 VAL 608 -3.317 -8.083 0.608 202 H GLN 609 H GLN 609 -2.875 -5.070 3.559 203 HA GLN 609 HA GLN 609 -5.542 -5.441 4.574 204 HB2 GLN 609 HB2 GLN 609 -2.821 -5.433 5.885 205 HB3 GLN 609 HB3 GLN 609 -4.310 -5.693 6.759 206 HG2 GLN 609 HG2 GLN 609 -4.767 -7.677 5.475 207 HG3 GLN 609 HG3 GLN 609 -3.312 -7.420 4.514 208 HE21 GLN 609 HE21 GLN 609 -2.352 -6.452 7.401 209 HE22 GLN 609 HE22 GLN 609 -1.760 -7.925 8.079 210 H ALA 610 H ALA 610 -2.955 -3.057 4.818 211 HA ALA 610 HA ALA 610 -4.321 -1.318 6.635 212 HB1 ALA 610 HB1 ALA 610 -2.047 -0.737 4.751 213 HB2 ALA 610 HB2 ALA 610 -1.897 -1.322 6.409 214 HB3 ALA 610 HB3 ALA 610 -2.566 0.285 6.098 215 H ILE 611 H ILE 611 -4.285 -1.652 3.148 216 HA ILE 611 HA ILE 611 -5.639 0.868 2.692 217 HB ILE 611 HB ILE 611 -4.901 -1.376 0.784 218 HG12 ILE 611 HG12 ILE 611 -3.877 1.456 0.950 219 HG13 ILE 611 HG13 ILE 611 -3.094 0.111 1.740 220 HG21 ILE 611 HG21 ILE 611 -5.550 0.194 -1.027 221 HG22 ILE 611 HG22 ILE 611 -6.241 1.261 0.191 222 HG23 ILE 611 HG23 ILE 611 -6.926 -0.344 -0.060 223 HD11 ILE 611 HD11 ILE 611 -3.394 0.588 -1.208 224 HD12 ILE 611 HD12 ILE 611 -2.800 -0.926 -0.525 225 HD13 ILE 611 HD13 ILE 611 -1.905 0.571 -0.269 226 H PHE 612 H PHE 612 -6.497 -2.610 2.486 227 HA PHE 612 HA PHE 612 -9.174 -1.891 3.376 228 HB2 PHE 612 HB2 PHE 612 -9.458 -2.135 0.967 229 HB3 PHE 612 HB3 PHE 612 -8.614 -3.678 0.985 230 HD1 PHE 612 HD1 PHE 612 -11.631 -1.969 2.281 231 HD2 PHE 612 HD2 PHE 612 -9.822 -5.661 1.208 232 HE1 PHE 612 HE1 PHE 612 -13.798 -3.107 2.573 233 HE2 PHE 612 HE2 PHE 612 -11.981 -6.811 1.490 234 HZ PHE 612 HZ PHE 612 -13.974 -5.533 2.173 235 HA PRO 613 HA PRO 613 -7.958 -5.435 5.989 236 HB2 PRO 613 HB2 PRO 613 -9.915 -5.183 7.851 237 HB3 PRO 613 HB3 PRO 613 -8.444 -4.222 7.870 238 HG2 PRO 613 HG2 PRO 613 -11.105 -3.446 6.993 239 HG3 PRO 613 HG3 PRO 613 -9.986 -2.550 7.777 240 HD2 PRO 613 HD2 PRO 613 -10.396 -2.340 5.146 241 HD3 PRO 613 HD3 PRO 613 -8.979 -1.925 5.843 242 H THR 614 H THR 614 -8.642 -7.528 6.004 243 HA THR 614 HA THR 614 -11.161 -8.062 4.600 244 HB THR 614 HB THR 614 -10.143 -10.232 3.938 245 HG1 THR 614 HG1 THR 614 -7.591 -9.180 4.355 246 HG21 THR 614 HG21 THR 614 -10.306 -8.416 2.363 247 HG22 THR 614 HG22 THR 614 -8.780 -9.270 2.125 248 HG23 THR 614 HG23 THR 614 -8.802 -7.719 2.964 249 HA PRO 615 HA PRO 615 -12.513 -10.393 8.317 250 HB2 PRO 615 HB2 PRO 615 -14.768 -10.591 6.381 251 HB3 PRO 615 HB3 PRO 615 -14.817 -10.342 8.115 252 HG2 PRO 615 HG2 PRO 615 -15.219 -8.303 6.645 253 HG3 PRO 615 HG3 PRO 615 -14.129 -8.119 7.847 254 HD2 PRO 615 HD2 PRO 615 -13.458 -8.724 5.002 255 HD3 PRO 615 HD3 PRO 615 -12.782 -7.535 5.893 256 H ASP 616 H ASP 616 -13.348 -11.237 4.993 257 HA ASP 616 HA ASP 616 -12.731 -14.072 5.496 258 HB2 ASP 616 HB2 ASP 616 -15.027 -13.317 4.606 259 HB3 ASP 616 HB3 ASP 616 -14.195 -13.000 3.088 260 HA PRO 617 HA PRO 617 -8.975 -13.629 2.972 261 HB2 PRO 617 HB2 PRO 617 -9.212 -16.595 2.936 262 HB3 PRO 617 HB3 PRO 617 -7.833 -15.584 3.374 263 HG2 PRO 617 HG2 PRO 617 -9.215 -16.746 5.247 264 HG3 PRO 617 HG3 PRO 617 -8.705 -15.212 5.477 265 HD2 PRO 617 HD2 PRO 617 -11.333 -16.094 4.786 266 HD3 PRO 617 HD3 PRO 617 -10.916 -14.942 5.865 267 H ALA 618 H ALA 618 -11.982 -14.978 2.059 268 HA ALA 618 HA ALA 618 -11.276 -15.920 -0.559 269 HB1 ALA 618 HB1 ALA 618 -13.664 -16.209 -0.882 270 HB2 ALA 618 HB2 ALA 618 -13.994 -15.269 0.572 271 HB3 ALA 618 HB3 ALA 618 -13.179 -16.827 0.697 272 H ALA 619 H ALA 619 -11.629 -12.824 0.689 273 HA ALA 619 HA ALA 619 -12.756 -11.554 -1.656 274 HB1 ALA 619 HB1 ALA 619 -11.444 -10.299 0.748 275 HB2 ALA 619 HB2 ALA 619 -13.160 -10.690 0.625 276 HB3 ALA 619 HB3 ALA 619 -12.447 -9.483 -0.451 277 H LEU 620 H LEU 620 -9.672 -12.643 -0.756 278 HA LEU 620 HA LEU 620 -8.144 -10.565 -2.022 279 HB2 LEU 620 HB2 LEU 620 -7.362 -13.237 -0.859 280 HB3 LEU 620 HB3 LEU 620 -6.220 -12.090 -1.514 281 HG LEU 620 HG LEU 620 -7.998 -11.584 0.879 282 HD11 LEU 620 HD11 LEU 620 -5.057 -12.220 0.705 283 HD12 LEU 620 HD12 LEU 620 -6.316 -13.260 1.370 284 HD13 LEU 620 HD13 LEU 620 -5.915 -11.742 2.170 285 HD21 LEU 620 HD21 LEU 620 -5.757 -9.945 -0.313 286 HD22 LEU 620 HD22 LEU 620 -6.544 -9.619 1.231 287 HD23 LEU 620 HD23 LEU 620 -7.466 -9.510 -0.266 288 H LYS 621 H LYS 621 -9.961 -12.976 -3.295 289 HA LYS 621 HA LYS 621 -8.124 -13.563 -5.520 290 HB2 LYS 621 HB2 LYS 621 -10.660 -14.983 -4.682 291 HB3 LYS 621 HB3 LYS 621 -9.672 -15.426 -6.062 292 HG2 LYS 621 HG2 LYS 621 -7.800 -15.935 -4.524 293 HG3 LYS 621 HG3 LYS 621 -8.843 -15.541 -3.164 294 HD2 LYS 621 HD2 LYS 621 -10.390 -17.346 -3.954 295 HD3 LYS 621 HD3 LYS 621 -9.156 -17.815 -5.123 296 HE2 LYS 621 HE2 LYS 621 -7.600 -18.260 -3.342 297 HE3 LYS 621 HE3 LYS 621 -8.752 -17.640 -2.166 298 HZ1 LYS 621 HZ1 LYS 621 -8.739 -20.058 -2.206 299 HZ2 LYS 621 HZ2 LYS 621 -9.146 -20.052 -3.847 300 HZ3 LYS 621 HZ3 LYS 621 -10.242 -19.459 -2.703 301 H ASP 622 H ASP 622 -9.981 -11.167 -4.947 302 HA ASP 622 HA ASP 622 -11.901 -11.262 -7.123 303 HB2 ASP 622 HB2 ASP 622 -12.368 -10.262 -4.846 304 HB3 ASP 622 HB3 ASP 622 -11.262 -8.961 -5.264 305 H ARG 623 H ARG 623 -12.026 -9.530 -8.716 306 HA ARG 623 HA ARG 623 -9.496 -9.131 -10.039 307 HB2 ARG 623 HB2 ARG 623 -11.529 -9.686 -11.321 308 HB3 ARG 623 HB3 ARG 623 -12.267 -8.178 -10.806 309 HG2 ARG 623 HG2 ARG 623 -11.501 -7.958 -13.027 310 HG3 ARG 623 HG3 ARG 623 -10.493 -6.940 -11.995 311 HD2 ARG 623 HD2 ARG 623 -8.763 -8.730 -12.012 312 HD3 ARG 623 HD3 ARG 623 -9.773 -9.646 -13.128 313 HE ARG 623 HE ARG 623 -9.149 -8.235 -14.838 314 HH11 ARG 623 HH11 ARG 623 -7.998 -6.893 -11.801 315 HH12 ARG 623 HH12 ARG 623 -6.988 -5.716 -12.571 316 HH21 ARG 623 HH21 ARG 623 -7.819 -6.685 -15.824 317 HH22 ARG 623 HH22 ARG 623 -6.888 -5.600 -14.847 318 H ARG 624 H ARG 624 -11.931 -7.175 -8.476 319 HA ARG 624 HA ARG 624 -10.839 -4.609 -9.053 320 HB2 ARG 624 HB2 ARG 624 -12.760 -5.536 -6.904 321 HB3 ARG 624 HB3 ARG 624 -12.378 -3.850 -7.206 322 HG2 ARG 624 HG2 ARG 624 -13.333 -4.030 -9.453 323 HG3 ARG 624 HG3 ARG 624 -13.690 -5.732 -9.172 324 HD2 ARG 624 HD2 ARG 624 -15.245 -5.138 -7.397 325 HD3 ARG 624 HD3 ARG 624 -14.837 -3.434 -7.575 326 HE ARG 624 HE ARG 624 -16.211 -3.321 -9.413 327 HH11 ARG 624 HH11 ARG 624 -15.747 -6.713 -8.613 328 HH12 ARG 624 HH12 ARG 624 -16.960 -7.257 -9.724 329 HH21 ARG 624 HH21 ARG 624 -17.792 -4.058 -10.857 330 HH22 ARG 624 HH22 ARG 624 -18.116 -5.755 -10.994 331 H MET 625 H MET 625 -9.999 -7.010 -6.747 332 HA MET 625 HA MET 625 -8.619 -5.282 -4.886 333 HB2 MET 625 HB2 MET 625 -9.658 -7.420 -4.189 334 HB3 MET 625 HB3 MET 625 -8.576 -8.288 -5.263 335 HG2 MET 625 HG2 MET 625 -7.793 -8.553 -3.028 336 HG3 MET 625 HG3 MET 625 -6.665 -7.506 -3.879 337 HE1 MET 625 HE1 MET 625 -9.618 -6.224 -0.591 338 HE2 MET 625 HE2 MET 625 -8.764 -7.756 -0.493 339 HE3 MET 625 HE3 MET 625 -9.905 -7.471 -1.807 340 H GLU 626 H GLU 626 -7.815 -7.339 -7.613 341 HA GLU 626 HA GLU 626 -5.038 -7.423 -7.400 342 HB2 GLU 626 HB2 GLU 626 -6.358 -8.920 -8.813 343 HB3 GLU 626 HB3 GLU 626 -6.792 -7.580 -9.857 344 HG2 GLU 626 HG2 GLU 626 -4.473 -7.356 -10.571 345 HG3 GLU 626 HG3 GLU 626 -3.998 -8.654 -9.479 346 H ASN 627 H ASN 627 -7.071 -4.806 -8.396 347 HA ASN 627 HA ASN 627 -5.261 -3.485 -10.154 348 HB2 ASN 627 HB2 ASN 627 -7.724 -2.533 -8.697 349 HB3 ASN 627 HB3 ASN 627 -6.785 -1.486 -9.756 350 HD21 ASN 627 HD21 ASN 627 -9.461 -2.070 -10.187 351 HD22 ASN 627 HD22 ASN 627 -9.606 -3.000 -11.635 352 H LEU 628 H LEU 628 -5.977 -3.028 -6.673 353 HA LEU 628 HA LEU 628 -3.953 -0.957 -6.532 354 HB2 LEU 628 HB2 LEU 628 -6.111 -1.853 -4.746 355 HB3 LEU 628 HB3 LEU 628 -4.665 -1.300 -3.942 356 HG LEU 628 HG LEU 628 -6.011 0.450 -5.978 357 HD11 LEU 628 HD11 LEU 628 -6.682 0.400 -3.046 358 HD12 LEU 628 HD12 LEU 628 -7.677 -0.379 -4.272 359 HD13 LEU 628 HD13 LEU 628 -7.438 1.375 -4.310 360 HD21 LEU 628 HD21 LEU 628 -5.043 2.181 -4.467 361 HD22 LEU 628 HD22 LEU 628 -3.843 1.144 -5.240 362 HD23 LEU 628 HD23 LEU 628 -4.289 0.875 -3.551 363 H VAL 629 H VAL 629 -4.217 -4.350 -5.869 364 HA VAL 629 HA VAL 629 -1.842 -4.853 -4.484 365 HB VAL 629 HB VAL 629 -3.232 -6.369 -6.707 366 HG11 VAL 629 HG11 VAL 629 -0.761 -7.269 -5.216 367 HG12 VAL 629 HG12 VAL 629 -0.932 -7.012 -6.957 368 HG13 VAL 629 HG13 VAL 629 -1.803 -8.334 -6.171 369 HG21 VAL 629 HG21 VAL 629 -2.921 -6.956 -3.768 370 HG22 VAL 629 HG22 VAL 629 -3.843 -7.915 -4.926 371 HG23 VAL 629 HG23 VAL 629 -4.353 -6.271 -4.534 372 H ALA 630 H ALA 630 -2.449 -3.904 -7.785 373 HA ALA 630 HA ALA 630 0.240 -4.098 -8.724 374 HB1 ALA 630 HB1 ALA 630 -1.627 -4.357 -10.225 375 HB2 ALA 630 HB2 ALA 630 -0.669 -2.956 -10.715 376 HB3 ALA 630 HB3 ALA 630 -2.196 -2.730 -9.854 377 H TYR 631 H TYR 631 -1.614 -1.703 -7.016 378 HA TYR 631 HA TYR 631 0.255 0.447 -7.382 379 HB2 TYR 631 HB2 TYR 631 -2.051 0.998 -6.725 380 HB3 TYR 631 HB3 TYR 631 -1.908 0.021 -5.275 381 HD1 TYR 631 HD1 TYR 631 -0.412 3.028 -6.926 382 HD2 TYR 631 HD2 TYR 631 -1.318 1.050 -3.251 383 HE1 TYR 631 HE1 TYR 631 0.203 5.055 -5.668 384 HE2 TYR 631 HE2 TYR 631 -0.688 3.068 -2.002 385 HH TYR 631 HH TYR 631 0.684 5.078 -2.313 386 H ALA 632 H ALA 632 -0.184 -2.164 -5.035 387 HA ALA 632 HA ALA 632 1.837 -1.176 -3.226 388 HB1 ALA 632 HB1 ALA 632 1.445 -3.273 -2.002 389 HB2 ALA 632 HB2 ALA 632 0.321 -3.771 -3.280 390 HB3 ALA 632 HB3 ALA 632 -0.037 -2.348 -2.305 391 H LYS 633 H LYS 633 1.666 -3.495 -5.856 392 HA LYS 633 HA LYS 633 4.055 -4.920 -5.417 393 HB2 LYS 633 HB2 LYS 633 2.283 -4.419 -7.754 394 HB3 LYS 633 HB3 LYS 633 3.887 -5.055 -8.072 395 HG2 LYS 633 HG2 LYS 633 3.432 -6.993 -6.692 396 HG3 LYS 633 HG3 LYS 633 1.858 -6.334 -6.243 397 HD2 LYS 633 HD2 LYS 633 1.087 -6.522 -8.525 398 HD3 LYS 633 HD3 LYS 633 2.680 -7.014 -9.060 399 HE2 LYS 633 HE2 LYS 633 2.497 -9.053 -7.695 400 HE3 LYS 633 HE3 LYS 633 0.891 -8.548 -7.175 401 HZ1 LYS 633 HZ1 LYS 633 0.159 -8.664 -9.489 402 HZ2 LYS 633 HZ2 LYS 633 0.748 -10.158 -8.956 403 HZ3 LYS 633 HZ3 LYS 633 1.698 -9.186 -9.964 404 H LYS 634 H LYS 634 3.427 -1.758 -6.626 405 HA LYS 634 HA LYS 634 5.939 -1.420 -8.023 406 HB2 LYS 634 HB2 LYS 634 3.856 -0.449 -8.904 407 HB3 LYS 634 HB3 LYS 634 3.686 0.518 -7.451 408 HG2 LYS 634 HG2 LYS 634 4.500 1.961 -9.131 409 HG3 LYS 634 HG3 LYS 634 5.859 1.635 -8.055 410 HD2 LYS 634 HD2 LYS 634 6.729 -0.014 -9.650 411 HD3 LYS 634 HD3 LYS 634 5.357 0.279 -10.713 412 HE2 LYS 634 HE2 LYS 634 6.100 2.614 -11.003 413 HE3 LYS 634 HE3 LYS 634 7.486 2.292 -9.964 414 HZ1 LYS 634 HZ1 LYS 634 8.164 0.574 -11.606 415 HZ2 LYS 634 HZ2 LYS 634 8.188 2.150 -12.215 416 HZ3 LYS 634 HZ3 LYS 634 6.924 1.108 -12.626 417 H VAL 635 H VAL 635 4.565 -0.543 -4.883 418 HA VAL 635 HA VAL 635 6.434 1.598 -4.478 419 HB VAL 635 HB VAL 635 4.378 0.443 -2.599 420 HG11 VAL 635 HG11 VAL 635 6.222 2.763 -2.105 421 HG12 VAL 635 HG12 VAL 635 6.224 1.214 -1.264 422 HG13 VAL 635 HG13 VAL 635 4.849 2.310 -1.092 423 HG21 VAL 635 HG21 VAL 635 3.265 2.632 -2.853 424 HG22 VAL 635 HG22 VAL 635 3.363 1.723 -4.362 425 HG23 VAL 635 HG23 VAL 635 4.461 3.078 -4.079 426 H GLU 636 H GLU 636 6.202 -1.736 -3.267 427 HA GLU 636 HA GLU 636 8.330 -1.641 -1.400 428 HB2 GLU 636 HB2 GLU 636 6.753 -3.497 -1.472 429 HB3 GLU 636 HB3 GLU 636 7.342 -3.964 -3.060 430 HG2 GLU 636 HG2 GLU 636 8.380 -5.450 -1.637 431 HG3 GLU 636 HG3 GLU 636 9.616 -4.252 -1.928 432 H GLY 637 H GLY 637 8.297 -2.205 -4.901 433 HA2 GLY 637 HA2 GLY 637 11.097 -2.923 -5.031 434 HA3 GLY 637 HA3 GLY 637 10.006 -2.718 -6.391 435 H ASP 638 H ASP 638 9.302 0.015 -5.169 436 HA ASP 638 HA ASP 638 11.346 1.517 -6.572 437 HB2 ASP 638 HB2 ASP 638 8.656 2.139 -5.401 438 HB3 ASP 638 HB3 ASP 638 9.768 3.462 -5.731 439 H MET 639 H MET 639 10.695 0.578 -3.341 440 HA MET 639 HA MET 639 11.843 2.809 -1.971 441 HB2 MET 639 HB2 MET 639 11.219 -0.005 -1.078 442 HB3 MET 639 HB3 MET 639 11.918 1.207 -0.007 443 HG2 MET 639 HG2 MET 639 9.925 2.620 -0.534 444 HG3 MET 639 HG3 MET 639 9.251 1.223 -1.345 445 HE1 MET 639 HE1 MET 639 9.263 -1.316 1.666 446 HE2 MET 639 HE2 MET 639 10.754 -0.860 0.836 447 HE3 MET 639 HE3 MET 639 9.280 -1.136 -0.090 448 H TYR 640 H TYR 640 13.142 -0.063 -3.435 449 HA TYR 640 HA TYR 640 15.522 -0.274 -1.869 450 HB2 TYR 640 HB2 TYR 640 15.350 -2.304 -2.812 451 HB3 TYR 640 HB3 TYR 640 14.245 -1.705 -4.050 452 HD1 TYR 640 HD1 TYR 640 17.864 -1.923 -3.192 453 HD2 TYR 640 HD2 TYR 640 14.958 -1.560 -6.283 454 HE1 TYR 640 HE1 TYR 640 19.631 -2.221 -4.878 455 HE2 TYR 640 HE2 TYR 640 16.719 -1.854 -7.975 456 HH TYR 640 HH TYR 640 19.840 -2.940 -7.213 457 H GLU 641 H GLU 641 14.630 1.520 -4.713 458 HA GLU 641 HA GLU 641 17.368 2.226 -5.394 459 HB2 GLU 641 HB2 GLU 641 14.699 2.977 -6.586 460 HB3 GLU 641 HB3 GLU 641 16.210 3.673 -7.131 461 HG2 GLU 641 HG2 GLU 641 17.021 1.440 -7.720 462 HG3 GLU 641 HG3 GLU 641 15.477 0.778 -7.207 463 H SER 642 H SER 642 14.718 3.531 -3.570 464 HA SER 642 HA SER 642 15.820 6.235 -3.563 465 HB2 SER 642 HB2 SER 642 13.744 6.816 -2.312 466 HB3 SER 642 HB3 SER 642 13.424 6.070 -3.878 467 HG SER 642 HG SER 642 12.671 5.252 -1.439 468 H ALA 643 H ALA 643 15.374 3.499 -1.395 469 HA ALA 643 HA ALA 643 16.377 5.022 0.891 470 HB1 ALA 643 HB1 ALA 643 15.292 2.214 0.742 471 HB2 ALA 643 HB2 ALA 643 14.409 3.650 1.260 472 HB3 ALA 643 HB3 ALA 643 15.765 3.056 2.219 473 H ASN 644 H ASN 644 18.267 4.554 1.968 474 HA ASN 644 HA ASN 644 20.159 2.779 0.582 475 HB2 ASN 644 HB2 ASN 644 20.662 5.145 2.402 476 HB3 ASN 644 HB3 ASN 644 21.933 4.084 1.811 477 HD21 ASN 644 HD21 ASN 644 20.221 6.885 1.255 478 HD22 ASN 644 HD22 ASN 644 20.670 7.154 -0.392 479 H SER 645 H SER 645 18.339 3.070 3.432 480 HA SER 645 HA SER 645 19.839 0.881 4.702 481 HB2 SER 645 HB2 SER 645 19.534 1.898 6.902 482 HB3 SER 645 HB3 SER 645 20.367 3.034 5.842 483 HG SER 645 HG SER 645 18.251 3.987 5.470 484 H ARG 646 H ARG 646 18.517 -0.313 6.329 485 HA ARG 646 HA ARG 646 16.022 -1.054 5.135 486 HB2 ARG 646 HB2 ARG 646 15.948 -2.714 7.043 487 HB3 ARG 646 HB3 ARG 646 17.347 -2.827 5.986 488 HG2 ARG 646 HG2 ARG 646 18.794 -2.306 7.627 489 HG3 ARG 646 HG3 ARG 646 17.721 -1.096 8.332 490 HD2 ARG 646 HD2 ARG 646 16.904 -3.932 8.600 491 HD3 ARG 646 HD3 ARG 646 18.311 -3.421 9.530 492 HE ARG 646 HE ARG 646 16.238 -1.555 9.896 493 HH11 ARG 646 HH11 ARG 646 17.031 -4.856 10.808 494 HH12 ARG 646 HH12 ARG 646 16.097 -4.797 12.265 495 HH21 ARG 646 HH21 ARG 646 15.026 -1.503 11.807 496 HH22 ARG 646 HH22 ARG 646 14.961 -2.901 12.828 497 H ASP 647 H ASP 647 16.901 1.120 7.650 498 HA ASP 647 HA ASP 647 14.370 1.048 9.038 499 HB2 ASP 647 HB2 ASP 647 16.764 2.880 9.245 500 HB3 ASP 647 HB3 ASP 647 15.304 3.110 10.199 501 H GLU 648 H GLU 648 15.782 2.873 6.421 502 HA GLU 648 HA GLU 648 13.618 4.809 6.334 503 HB2 GLU 648 HB2 GLU 648 15.949 4.297 4.459 504 HB3 GLU 648 HB3 GLU 648 14.786 5.594 4.253 505 HG2 GLU 648 HG2 GLU 648 16.688 5.271 6.570 506 HG3 GLU 648 HG3 GLU 648 16.867 6.405 5.236 507 H TYR 649 H TYR 649 14.760 2.040 4.416 508 HA TYR 649 HA TYR 649 12.858 1.923 2.415 509 HB2 TYR 649 HB2 TYR 649 14.866 0.523 2.486 510 HB3 TYR 649 HB3 TYR 649 14.257 -0.326 3.890 511 HD1 TYR 649 HD1 TYR 649 13.887 0.141 0.269 512 HD2 TYR 649 HD2 TYR 649 12.716 -2.178 3.636 513 HE1 TYR 649 HE1 TYR 649 12.935 -1.532 -1.233 514 HE2 TYR 649 HE2 TYR 649 11.751 -3.871 2.133 515 HH TYR 649 HH TYR 649 12.357 -3.929 -1.206 516 H TYR 650 H TYR 650 12.673 0.285 5.587 517 HA TYR 650 HA TYR 650 10.000 -0.597 5.271 518 HB2 TYR 650 HB2 TYR 650 11.747 -0.337 7.726 519 HB3 TYR 650 HB3 TYR 650 10.173 -1.122 7.711 520 HD1 TYR 650 HD1 TYR 650 13.253 -2.081 8.156 521 HD2 TYR 650 HD2 TYR 650 10.287 -2.598 5.140 522 HE1 TYR 650 HE1 TYR 650 14.330 -4.163 7.465 523 HE2 TYR 650 HE2 TYR 650 11.353 -4.705 4.454 524 HH TYR 650 HH TYR 650 13.717 -6.260 6.320 525 H HIS 651 H HIS 651 11.260 2.479 6.155 526 HA HIS 651 HA HIS 651 8.933 3.326 7.679 527 HB2 HIS 651 HB2 HIS 651 11.614 4.280 7.288 528 HB3 HIS 651 HB3 HIS 651 10.496 5.564 6.857 529 HD1 HIS 651 HD1 HIS 651 11.448 3.376 9.783 530 HD2 HIS 651 HD2 HIS 651 9.305 6.852 8.999 531 HE1 HIS 651 HE1 HIS 651 10.879 4.339 12.036 532 HE2 HIS 651 HE2 HIS 651 9.538 6.412 11.538 533 H LEU 652 H LEU 652 10.242 3.752 4.444 534 HA LEU 652 HA LEU 652 8.458 5.600 3.371 535 HB2 LEU 652 HB2 LEU 652 9.992 3.343 2.179 536 HB3 LEU 652 HB3 LEU 652 9.097 4.481 1.213 537 HG LEU 652 HG LEU 652 11.439 5.190 2.979 538 HD11 LEU 652 HD11 LEU 652 11.292 4.980 -0.022 539 HD12 LEU 652 HD12 LEU 652 12.215 3.927 1.049 540 HD13 LEU 652 HD13 LEU 652 12.652 5.628 0.897 541 HD21 LEU 652 HD21 LEU 652 9.848 6.982 2.793 542 HD22 LEU 652 HD22 LEU 652 9.791 6.779 1.045 543 HD23 LEU 652 HD23 LEU 652 11.270 7.358 1.811 544 H LEU 653 H LEU 653 8.250 2.080 3.585 545 HA LEU 653 HA LEU 653 5.743 1.877 2.205 546 HB2 LEU 653 HB2 LEU 653 7.557 0.092 2.419 547 HB3 LEU 653 HB3 LEU 653 6.924 -0.204 4.022 548 HG LEU 653 HG LEU 653 4.649 -0.521 2.710 549 HD11 LEU 653 HD11 LEU 653 4.948 -1.486 0.543 550 HD12 LEU 653 HD12 LEU 653 6.691 -1.247 0.645 551 HD13 LEU 653 HD13 LEU 653 5.618 0.147 0.556 552 HD21 LEU 653 HD21 LEU 653 6.142 -2.212 4.016 553 HD22 LEU 653 HD22 LEU 653 6.579 -2.768 2.397 554 HD23 LEU 653 HD23 LEU 653 4.890 -2.786 2.917 555 H ALA 654 H ALA 654 6.682 2.245 5.560 556 HA ALA 654 HA ALA 654 4.095 1.510 6.634 557 HB1 ALA 654 HB1 ALA 654 6.197 1.101 7.865 558 HB2 ALA 654 HB2 ALA 654 5.026 2.047 8.783 559 HB3 ALA 654 HB3 ALA 654 6.411 2.845 8.034 560 H GLU 655 H GLU 655 5.677 4.456 5.600 561 HA GLU 655 HA GLU 655 3.909 6.216 7.003 562 HB2 GLU 655 HB2 GLU 655 5.953 6.685 4.843 563 HB3 GLU 655 HB3 GLU 655 4.892 7.974 5.389 564 HG2 GLU 655 HG2 GLU 655 5.784 7.757 7.650 565 HG3 GLU 655 HG3 GLU 655 6.833 6.446 7.118 566 H LYS 656 H LYS 656 3.909 4.850 3.734 567 HA LYS 656 HA LYS 656 1.578 6.220 2.799 568 HB2 LYS 656 HB2 LYS 656 2.823 3.584 2.047 569 HB3 LYS 656 HB3 LYS 656 1.311 4.098 1.350 570 HG2 LYS 656 HG2 LYS 656 2.625 6.221 0.651 571 HG3 LYS 656 HG3 LYS 656 4.054 5.224 0.940 572 HD2 LYS 656 HD2 LYS 656 3.368 3.641 -0.720 573 HD3 LYS 656 HD3 LYS 656 1.781 4.397 -0.872 574 HE2 LYS 656 HE2 LYS 656 3.068 5.088 -2.748 575 HE3 LYS 656 HE3 LYS 656 2.953 6.471 -1.661 576 HZ1 LYS 656 HZ1 LYS 656 5.194 6.194 -2.520 577 HZ2 LYS 656 HZ2 LYS 656 5.277 4.634 -1.873 578 HZ3 LYS 656 HZ3 LYS 656 5.167 5.969 -0.842 579 H ILE 657 H ILE 657 2.156 3.531 4.920 580 HA ILE 657 HA ILE 657 -0.450 2.370 4.770 581 HB ILE 657 HB ILE 657 2.028 1.899 6.354 582 HG12 ILE 657 HG12 ILE 657 0.098 0.122 4.843 583 HG13 ILE 657 HG13 ILE 657 1.622 0.750 4.243 584 HG21 ILE 657 HG21 ILE 657 -0.489 0.544 7.297 585 HG22 ILE 657 HG22 ILE 657 0.171 1.980 8.083 586 HG23 ILE 657 HG23 ILE 657 1.128 0.495 8.011 587 HD11 ILE 657 HD11 ILE 657 1.792 -1.606 4.812 588 HD12 ILE 657 HD12 ILE 657 1.283 -1.266 6.463 589 HD13 ILE 657 HD13 ILE 657 2.824 -0.642 5.870 590 H TYR 658 H TYR 658 1.107 4.703 6.943 591 HA TYR 658 HA TYR 658 -1.238 4.939 8.617 592 HB2 TYR 658 HB2 TYR 658 1.376 6.442 8.499 593 HB3 TYR 658 HB3 TYR 658 0.080 6.900 9.588 594 HD1 TYR 658 HD1 TYR 658 2.964 4.863 9.184 595 HD2 TYR 658 HD2 TYR 658 -0.769 5.052 11.221 596 HE1 TYR 658 HE1 TYR 658 3.787 3.237 10.836 597 HE2 TYR 658 HE2 TYR 658 0.044 3.425 12.875 598 HH TYR 658 HH TYR 658 3.314 2.561 13.150 599 H LYS 659 H LYS 659 0.107 6.443 5.819 600 HA LYS 659 HA LYS 659 -1.400 8.870 5.917 601 HB2 LYS 659 HB2 LYS 659 0.779 8.891 4.940 602 HB3 LYS 659 HB3 LYS 659 0.362 7.602 3.844 603 HG2 LYS 659 HG2 LYS 659 -0.970 9.057 2.509 604 HG3 LYS 659 HG3 LYS 659 -0.873 10.331 3.709 605 HD2 LYS 659 HD2 LYS 659 1.369 10.822 3.159 606 HD3 LYS 659 HD3 LYS 659 1.601 9.268 2.356 607 HE2 LYS 659 HE2 LYS 659 1.492 11.030 0.732 608 HE3 LYS 659 HE3 LYS 659 0.089 9.985 0.562 609 HZ1 LYS 659 HZ1 LYS 659 -0.515 12.323 0.398 610 HZ2 LYS 659 HZ2 LYS 659 0.122 12.620 1.938 611 HZ3 LYS 659 HZ3 LYS 659 -1.229 11.618 1.761 612 H ILE 660 H ILE 660 -1.848 5.734 4.329 613 HA ILE 660 HA ILE 660 -4.106 6.613 2.758 614 HB ILE 660 HB ILE 660 -2.976 3.859 3.322 615 HG12 ILE 660 HG12 ILE 660 -3.230 5.399 0.726 616 HG13 ILE 660 HG13 ILE 660 -1.801 5.457 1.747 617 HG21 ILE 660 HG21 ILE 660 -5.416 3.642 3.115 618 HG22 ILE 660 HG22 ILE 660 -4.594 2.937 1.723 619 HG23 ILE 660 HG23 ILE 660 -5.366 4.514 1.583 620 HD11 ILE 660 HD11 ILE 660 -2.886 3.112 0.212 621 HD12 ILE 660 HD12 ILE 660 -1.629 2.955 1.448 622 HD13 ILE 660 HD13 ILE 660 -1.338 3.932 0.005 623 H GLN 661 H GLN 661 -3.585 5.160 5.885 624 HA GLN 661 HA GLN 661 -6.217 4.488 6.593 625 HB2 GLN 661 HB2 GLN 661 -3.758 5.204 8.149 626 HB3 GLN 661 HB3 GLN 661 -5.284 4.927 8.975 627 HG2 GLN 661 HG2 GLN 661 -5.375 2.670 8.186 628 HG3 GLN 661 HG3 GLN 661 -4.007 2.926 7.133 629 HE21 GLN 661 HE21 GLN 661 -3.648 0.804 8.518 630 HE22 GLN 661 HE22 GLN 661 -2.634 1.054 9.889 631 H LYS 662 H LYS 662 -4.738 7.578 6.208 632 HA LYS 662 HA LYS 662 -6.404 9.082 8.004 633 HB2 LYS 662 HB2 LYS 662 -4.214 9.932 7.379 634 HB3 LYS 662 HB3 LYS 662 -4.689 9.966 5.696 635 HG2 LYS 662 HG2 LYS 662 -6.236 11.758 6.114 636 HG3 LYS 662 HG3 LYS 662 -5.943 11.674 7.833 637 HD2 LYS 662 HD2 LYS 662 -3.649 12.421 7.478 638 HD3 LYS 662 HD3 LYS 662 -3.910 12.466 5.739 639 HE2 LYS 662 HE2 LYS 662 -4.045 14.663 6.721 640 HE3 LYS 662 HE3 LYS 662 -5.576 14.190 6.018 641 HZ1 LYS 662 HZ1 LYS 662 -6.370 13.611 8.234 642 HZ2 LYS 662 HZ2 LYS 662 -5.917 15.237 8.159 643 HZ3 LYS 662 HZ3 LYS 662 -4.902 14.113 8.910 644 H GLU 663 H GLU 663 -6.443 8.473 4.498 645 HA GLU 663 HA GLU 663 -8.474 10.304 3.852 646 HB2 GLU 663 HB2 GLU 663 -7.512 7.869 2.352 647 HB3 GLU 663 HB3 GLU 663 -8.537 9.117 1.698 648 HG2 GLU 663 HG2 GLU 663 -5.669 9.395 2.524 649 HG3 GLU 663 HG3 GLU 663 -6.339 9.468 0.895 650 H LEU 664 H LEU 664 -8.588 6.906 4.727 651 HA LEU 664 HA LEU 664 -11.325 6.430 4.275 652 HB2 LEU 664 HB2 LEU 664 -9.513 5.187 6.349 653 HB3 LEU 664 HB3 LEU 664 -11.116 4.606 5.970 654 HG LEU 664 HG LEU 664 -8.750 4.602 4.084 655 HD11 LEU 664 HD11 LEU 664 -10.068 2.243 5.411 656 HD12 LEU 664 HD12 LEU 664 -8.551 2.976 5.932 657 HD13 LEU 664 HD13 LEU 664 -8.667 2.226 4.340 658 HD21 LEU 664 HD21 LEU 664 -10.158 3.217 2.625 659 HD22 LEU 664 HD22 LEU 664 -10.793 4.849 2.834 660 HD23 LEU 664 HD23 LEU 664 -11.517 3.503 3.708 661 H GLU 665 H GLU 665 -9.734 8.185 6.819 662 HA GLU 665 HA GLU 665 -12.091 8.311 8.506 663 HB2 GLU 665 HB2 GLU 665 -9.401 9.653 8.707 664 HB3 GLU 665 HB3 GLU 665 -10.725 9.936 9.825 665 HG2 GLU 665 HG2 GLU 665 -10.712 7.565 10.447 666 HG3 GLU 665 HG3 GLU 665 -9.373 7.290 9.339 667 H GLU 666 H GLU 666 -10.813 10.059 5.843 668 HA GLU 666 HA GLU 666 -12.153 12.546 6.339 669 HB2 GLU 666 HB2 GLU 666 -10.844 11.352 3.901 670 HB3 GLU 666 HB3 GLU 666 -11.687 12.892 3.836 671 HG2 GLU 666 HG2 GLU 666 -9.327 12.246 5.590 672 HG3 GLU 666 HG3 GLU 666 -9.283 13.186 4.102 673 H LYS 667 H LYS 667 -13.016 9.521 4.843 674 HA LYS 667 HA LYS 667 -15.484 10.528 3.714 675 HB2 LYS 667 HB2 LYS 667 -14.413 7.726 3.859 676 HB3 LYS 667 HB3 LYS 667 -15.872 8.199 3.008 677 HG2 LYS 667 HG2 LYS 667 -13.092 9.163 2.372 678 HG3 LYS 667 HG3 LYS 667 -13.964 7.890 1.535 679 HD2 LYS 667 HD2 LYS 667 -15.656 9.503 0.818 680 HD3 LYS 667 HD3 LYS 667 -14.836 10.781 1.706 681 HE2 LYS 667 HE2 LYS 667 -13.549 9.235 -0.538 682 HE3 LYS 667 HE3 LYS 667 -14.460 10.725 -0.779 683 HZ1 LYS 667 HZ1 LYS 667 -12.089 11.152 -0.608 684 HZ2 LYS 667 HZ2 LYS 667 -12.053 10.452 0.930 685 HZ3 LYS 667 HZ3 LYS 667 -12.926 11.877 0.672 686 H ARG 668 H ARG 668 -14.420 9.264 6.682 687 HA ARG 668 HA ARG 668 -16.979 8.204 7.527 688 HB2 ARG 668 HB2 ARG 668 -14.267 8.366 8.801 689 HB3 ARG 668 HB3 ARG 668 -15.685 7.852 9.679 690 HG2 ARG 668 HG2 ARG 668 -15.986 5.972 8.195 691 HG3 ARG 668 HG3 ARG 668 -14.630 6.523 7.209 692 HD2 ARG 668 HD2 ARG 668 -13.129 6.249 9.110 693 HD3 ARG 668 HD3 ARG 668 -14.478 5.711 10.108 694 HE ARG 668 HE ARG 668 -14.435 4.022 7.929 695 HH11 ARG 668 HH11 ARG 668 -12.195 4.817 10.518 696 HH12 ARG 668 HH12 ARG 668 -11.460 3.249 10.518 697 HH21 ARG 668 HH21 ARG 668 -13.457 1.976 7.950 698 HH22 ARG 668 HH22 ARG 668 -12.173 1.645 9.064 699 H ARG 669 H ARG 669 -15.072 11.103 7.961 700 HA ARG 669 HA ARG 669 -16.717 12.095 10.140 701 HB2 ARG 669 HB2 ARG 669 -14.388 13.326 8.654 702 HB3 ARG 669 HB3 ARG 669 -15.249 14.126 9.962 703 HG2 ARG 669 HG2 ARG 669 -14.561 12.408 11.514 704 HG3 ARG 669 HG3 ARG 669 -13.799 11.499 10.204 705 HD2 ARG 669 HD2 ARG 669 -12.246 13.298 9.817 706 HD3 ARG 669 HD3 ARG 669 -13.020 14.277 11.060 707 HE ARG 669 HE ARG 669 -11.177 12.085 11.458 708 HH11 ARG 669 HH11 ARG 669 -13.614 14.105 12.985 709 HH12 ARG 669 HH12 ARG 669 -13.046 13.772 14.587 710 HH21 ARG 669 HH21 ARG 669 -10.456 11.666 13.562 711 HH22 ARG 669 HH22 ARG 669 -11.259 12.395 14.912 712 H SER 670 H SER 670 -16.551 12.387 6.693 713 HA SER 670 HA SER 670 -18.399 14.658 6.677 714 HB2 SER 670 HB2 SER 670 -17.990 14.713 4.247 715 HB3 SER 670 HB3 SER 670 -16.496 14.843 5.173 716 HG SER 670 HG SER 670 -16.324 12.497 4.823 717 H ARG 671 H ARG 671 -18.223 11.243 6.008 718 HA ARG 671 HA ARG 671 -19.754 9.617 5.690 719 HB2 ARG 671 HB2 ARG 671 -21.772 11.738 6.399 720 HB3 ARG 671 HB3 ARG 671 -22.130 10.025 6.235 721 HG2 ARG 671 HG2 ARG 671 -20.654 9.515 8.094 722 HG3 ARG 671 HG3 ARG 671 -20.199 11.211 8.218 723 HD2 ARG 671 HD2 ARG 671 -22.505 11.788 8.645 724 HD3 ARG 671 HD3 ARG 671 -22.953 10.084 8.613 725 HE ARG 671 HE ARG 671 -21.599 11.503 10.743 726 HH11 ARG 671 HH11 ARG 671 -22.338 8.334 9.415 727 HH12 ARG 671 HH12 ARG 671 -22.075 7.517 10.919 728 HH21 ARG 671 HH21 ARG 671 -21.262 10.409 12.699 729 HH22 ARG 671 HH22 ARG 671 -21.470 8.692 12.775 730 H LEU 672 H LEU 672 -19.425 12.143 3.648 731 HA LEU 672 HA LEU 672 -21.189 10.944 1.617 732 HB2 LEU 672 HB2 LEU 672 -20.211 13.802 1.753 733 HB3 LEU 672 HB3 LEU 672 -21.172 13.128 0.456 734 HG LEU 672 HG LEU 672 -22.104 13.400 3.320 735 HD11 LEU 672 HD11 LEU 672 -21.846 15.593 2.294 736 HD12 LEU 672 HD12 LEU 672 -23.549 15.192 2.508 737 HD13 LEU 672 HD13 LEU 672 -22.810 15.071 0.911 738 HD21 LEU 672 HD21 LEU 672 -24.310 12.873 2.393 739 HD22 LEU 672 HD22 LEU 672 -23.164 11.553 2.164 740 HD23 LEU 672 HD23 LEU 672 -23.575 12.609 0.812 741 H1 GLY 519 H1 GLY 519 -3.017 30.752 1.722 742 H2 GLY 519 H2 GLY 519 -3.737 32.112 2.425 743 H3 GLY 519 H3 GLY 519 -2.875 32.264 0.978 744 HA2 GLY 519 HA2 GLY 519 -5.403 30.751 1.340 745 HA3 GLY 519 HA3 GLY 519 -5.258 32.324 0.570 746 H SER 520 H SER 520 -5.288 29.003 0.100 747 HA SER 520 HA SER 520 -4.046 29.225 -2.561 748 HB2 SER 520 HB2 SER 520 -4.519 26.765 -0.852 749 HB3 SER 520 HB3 SER 520 -3.796 26.757 -2.459 750 HG SER 520 HG SER 520 -2.022 27.774 -1.676 751 HA PRO 521 HA PRO 521 -8.252 28.843 -4.116 752 HB2 PRO 521 HB2 PRO 521 -7.666 28.640 -6.774 753 HB3 PRO 521 HB3 PRO 521 -7.610 30.157 -5.880 754 HG2 PRO 521 HG2 PRO 521 -5.417 28.395 -6.637 755 HG3 PRO 521 HG3 PRO 521 -5.461 30.028 -6.632 756 HD2 PRO 521 HD2 PRO 521 -4.279 28.659 -4.813 757 HD3 PRO 521 HD3 PRO 521 -4.885 30.152 -4.545 758 H GLY 522 H GLY 522 -5.799 26.429 -4.650 759 HA2 GLY 522 HA2 GLY 522 -6.804 24.140 -4.105 760 HA3 GLY 522 HA3 GLY 522 -7.837 24.469 -5.487 761 H TYR 523 H TYR 523 -4.898 23.179 -4.432 762 HA TYR 523 HA TYR 523 -3.870 23.017 -7.186 763 HB2 TYR 523 HB2 TYR 523 -2.399 22.801 -4.545 764 HB3 TYR 523 HB3 TYR 523 -1.657 22.502 -6.107 765 HD1 TYR 523 HD1 TYR 523 -2.794 25.034 -3.753 766 HD2 TYR 523 HD2 TYR 523 -1.293 24.386 -7.685 767 HE1 TYR 523 HE1 TYR 523 -2.248 27.424 -3.934 768 HE2 TYR 523 HE2 TYR 523 -0.741 26.775 -7.871 769 HH TYR 523 HH TYR 523 -0.739 28.877 -5.203 770 HA PRO 524 HA PRO 524 -5.146 18.682 -6.354 771 HB2 PRO 524 HB2 PRO 524 -5.956 18.060 -8.853 772 HB3 PRO 524 HB3 PRO 524 -6.966 18.973 -7.726 773 HG2 PRO 524 HG2 PRO 524 -5.421 19.957 -10.002 774 HG3 PRO 524 HG3 PRO 524 -6.842 20.513 -9.418 775 HD2 PRO 524 HD2 PRO 524 -4.483 21.640 -8.983 776 HD3 PRO 524 HD3 PRO 524 -5.840 21.962 -8.132 777 H ASN 525 H ASN 525 -3.915 16.908 -6.418 778 HA ASN 525 HA ASN 525 -2.264 15.422 -6.842 779 HB2 ASN 525 HB2 ASN 525 -2.694 16.440 -9.645 780 HB3 ASN 525 HB3 ASN 525 -1.491 15.206 -9.287 781 HD21 ASN 525 HD21 ASN 525 -3.983 15.129 -10.872 782 HD22 ASN 525 HD22 ASN 525 -4.905 13.826 -10.210 783 H GLY 526 H GLY 526 -0.199 15.387 -6.313 784 HA2 GLY 526 HA2 GLY 526 2.098 16.051 -7.001 785 HA3 GLY 526 HA3 GLY 526 1.483 17.693 -7.080 786 H LEU 527 H LEU 527 2.712 15.187 -5.049 787 HA LEU 527 HA LEU 527 2.412 16.864 -2.686 788 HB2 LEU 527 HB2 LEU 527 1.593 14.608 -2.389 789 HB3 LEU 527 HB3 LEU 527 3.120 13.953 -2.930 790 HG LEU 527 HG LEU 527 4.198 14.918 -0.878 791 HD11 LEU 527 HD11 LEU 527 1.338 15.518 -0.130 792 HD12 LEU 527 HD12 LEU 527 2.615 16.699 -0.429 793 HD13 LEU 527 HD13 LEU 527 2.721 15.617 0.959 794 HD21 LEU 527 HD21 LEU 527 3.442 12.559 -0.958 795 HD22 LEU 527 HD22 LEU 527 1.884 13.064 -0.297 796 HD23 LEU 527 HD23 LEU 527 3.351 13.252 0.664 797 H LEU 528 H LEU 528 4.909 14.563 -3.256 798 HA LEU 528 HA LEU 528 6.941 16.672 -3.256 799 HB2 LEU 528 HB2 LEU 528 7.138 13.766 -2.469 800 HB3 LEU 528 HB3 LEU 528 8.541 14.792 -2.665 801 HG LEU 528 HG LEU 528 6.345 15.293 -0.646 802 HD11 LEU 528 HD11 LEU 528 7.951 14.528 1.041 803 HD12 LEU 528 HD12 LEU 528 9.066 14.058 -0.240 804 HD13 LEU 528 HD13 LEU 528 7.515 13.239 -0.078 805 HD21 LEU 528 HD21 LEU 528 7.965 16.853 0.331 806 HD22 LEU 528 HD22 LEU 528 7.515 17.308 -1.312 807 HD23 LEU 528 HD23 LEU 528 9.068 16.532 -1.006 808 H SER 529 H SER 529 5.809 13.794 -4.751 809 HA SER 529 HA SER 529 6.974 14.613 -7.312 810 HB2 SER 529 HB2 SER 529 7.395 12.235 -7.898 811 HB3 SER 529 HB3 SER 529 8.362 12.752 -6.518 812 HG SER 529 HG SER 529 7.467 11.199 -5.443 813 H GLY 530 H GLY 530 4.385 13.427 -5.428 814 HA2 GLY 530 HA2 GLY 530 2.137 13.918 -6.165 815 HA3 GLY 530 HA3 GLY 530 2.615 13.425 -7.788 816 H ASP 531 H ASP 531 1.574 12.393 -4.652 817 HA ASP 531 HA ASP 531 1.099 9.681 -5.678 818 HB2 ASP 531 HB2 ASP 531 1.861 8.702 -3.542 819 HB3 ASP 531 HB3 ASP 531 3.163 9.580 -4.335 820 H GLU 532 H GLU 532 -0.635 11.946 -5.424 821 HA GLU 532 HA GLU 532 -2.405 11.235 -3.218 822 HB2 GLU 532 HB2 GLU 532 -2.148 13.765 -4.803 823 HB3 GLU 532 HB3 GLU 532 -3.378 13.483 -3.591 824 HG2 GLU 532 HG2 GLU 532 -1.580 13.144 -1.913 825 HG3 GLU 532 HG3 GLU 532 -0.416 13.569 -3.153 826 H ASP 533 H ASP 533 -2.064 10.602 -6.351 827 HA ASP 533 HA ASP 533 -4.675 11.206 -7.396 828 HB2 ASP 533 HB2 ASP 533 -2.585 11.233 -8.768 829 HB3 ASP 533 HB3 ASP 533 -2.504 9.484 -8.615 830 H PHE 534 H PHE 534 -3.262 8.446 -5.788 831 HA PHE 534 HA PHE 534 -5.281 6.634 -6.808 832 HB2 PHE 534 HB2 PHE 534 -2.732 6.318 -5.394 833 HB3 PHE 534 HB3 PHE 534 -3.975 5.208 -4.848 834 HD1 PHE 534 HD1 PHE 534 -1.862 6.201 -7.684 835 HD2 PHE 534 HD2 PHE 534 -4.753 3.416 -6.256 836 HE1 PHE 534 HE1 PHE 534 -1.366 4.709 -9.577 837 HE2 PHE 534 HE2 PHE 534 -4.272 1.934 -8.132 838 HZ PHE 534 HZ PHE 534 -2.564 2.573 -9.803 839 H SER 535 H SER 535 -5.047 8.817 -4.303 840 HA SER 535 HA SER 535 -6.452 7.545 -2.202 841 HB2 SER 535 HB2 SER 535 -6.675 9.753 -1.237 842 HB3 SER 535 HB3 SER 535 -5.070 9.607 -1.952 843 HG SER 535 HG SER 535 -6.763 11.495 -2.415 844 H SER 536 H SER 536 -7.518 9.055 -5.136 845 HA SER 536 HA SER 536 -10.303 9.137 -4.354 846 HB2 SER 536 HB2 SER 536 -10.690 9.900 -6.646 847 HB3 SER 536 HB3 SER 536 -9.481 10.880 -5.829 848 HG SER 536 HG SER 536 -8.488 10.443 -7.679 849 H ILE 537 H ILE 537 -8.120 6.916 -5.738 850 HA ILE 537 HA ILE 537 -10.150 5.272 -7.000 851 HB ILE 537 HB ILE 537 -7.171 4.860 -6.654 852 HG12 ILE 537 HG12 ILE 537 -8.694 5.382 -9.223 853 HG13 ILE 537 HG13 ILE 537 -7.926 6.647 -8.282 854 HG21 ILE 537 HG21 ILE 537 -7.305 2.949 -8.171 855 HG22 ILE 537 HG22 ILE 537 -9.066 3.088 -8.194 856 HG23 ILE 537 HG23 ILE 537 -8.233 2.674 -6.695 857 HD11 ILE 537 HD11 ILE 537 -5.738 5.584 -8.689 858 HD12 ILE 537 HD12 ILE 537 -6.556 6.042 -10.182 859 HD13 ILE 537 HD13 ILE 537 -6.535 4.354 -9.669 860 H ALA 538 H ALA 538 -8.321 5.367 -4.003 861 HA ALA 538 HA ALA 538 -9.042 2.689 -3.271 862 HB1 ALA 538 HB1 ALA 538 -7.702 4.792 -1.586 863 HB2 ALA 538 HB2 ALA 538 -6.867 3.625 -2.612 864 HB3 ALA 538 HB3 ALA 538 -7.799 3.070 -1.223 865 H ASP 539 H ASP 539 -10.553 5.620 -3.085 866 HA ASP 539 HA ASP 539 -12.313 4.831 -0.879 867 HB2 ASP 539 HB2 ASP 539 -11.891 7.426 -2.362 868 HB3 ASP 539 HB3 ASP 539 -13.314 7.180 -1.357 869 H MET 540 H MET 540 -12.078 4.854 -4.264 870 HA MET 540 HA MET 540 -14.913 4.400 -4.746 871 HB2 MET 540 HB2 MET 540 -12.488 4.449 -6.537 872 HB3 MET 540 HB3 MET 540 -14.096 4.035 -7.113 873 HG2 MET 540 HG2 MET 540 -13.354 6.653 -5.820 874 HG3 MET 540 HG3 MET 540 -13.452 6.382 -7.557 875 HE1 MET 540 HE1 MET 540 -15.972 4.655 -8.046 876 HE2 MET 540 HE2 MET 540 -15.737 6.172 -8.913 877 HE3 MET 540 HE3 MET 540 -17.280 5.836 -8.132 878 H ASP 541 H ASP 541 -11.969 2.661 -4.270 879 HA ASP 541 HA ASP 541 -12.980 0.138 -5.281 880 HB2 ASP 541 HB2 ASP 541 -10.345 1.069 -4.179 881 HB3 ASP 541 HB3 ASP 541 -10.681 -0.640 -4.408 882 H PHE 542 H PHE 542 -12.808 1.816 -2.255 883 HA PHE 542 HA PHE 542 -12.797 -0.494 -0.547 884 HB2 PHE 542 HB2 PHE 542 -11.959 1.736 0.159 885 HB3 PHE 542 HB3 PHE 542 -13.601 2.358 0.078 886 HD1 PHE 542 HD1 PHE 542 -11.194 0.495 2.044 887 HD2 PHE 542 HD2 PHE 542 -15.300 1.579 1.701 888 HE1 PHE 542 HE1 PHE 542 -11.561 -0.170 4.383 889 HE2 PHE 542 HE2 PHE 542 -15.670 0.915 4.040 890 HZ PHE 542 HZ PHE 542 -13.801 0.041 5.385 891 H SER 543 H SER 543 -15.260 1.411 -2.126 892 HA SER 543 HA SER 543 -17.456 0.377 -0.562 893 HB2 SER 543 HB2 SER 543 -18.869 1.638 -2.166 894 HB3 SER 543 HB3 SER 543 -17.604 2.630 -1.448 895 HG SER 543 HG SER 543 -16.399 2.369 -3.360 896 H ALA 544 H ALA 544 -15.759 -0.561 -3.417 897 HA ALA 544 HA ALA 544 -17.879 -2.216 -4.488 898 HB1 ALA 544 HB1 ALA 544 -16.283 -2.797 -6.223 899 HB2 ALA 544 HB2 ALA 544 -14.989 -2.009 -5.320 900 HB3 ALA 544 HB3 ALA 544 -16.316 -1.051 -5.976 901 H LEU 545 H LEU 545 -15.234 -2.597 -2.298 902 HA LEU 545 HA LEU 545 -15.022 -5.460 -2.557 903 HB2 LEU 545 HB2 LEU 545 -13.812 -3.465 -0.659 904 HB3 LEU 545 HB3 LEU 545 -13.495 -5.176 -0.577 905 HG LEU 545 HG LEU 545 -12.866 -3.505 -2.999 906 HD11 LEU 545 HD11 LEU 545 -11.497 -2.695 -1.189 907 HD12 LEU 545 HD12 LEU 545 -10.509 -3.690 -2.256 908 HD13 LEU 545 HD13 LEU 545 -11.078 -4.346 -0.724 909 HD21 LEU 545 HD21 LEU 545 -13.136 -5.879 -3.475 910 HD22 LEU 545 HD22 LEU 545 -12.003 -6.278 -2.182 911 HD23 LEU 545 HD23 LEU 545 -11.442 -5.407 -3.610 912 H LEU 546 H LEU 546 -17.038 -3.312 -0.802 913 HA LEU 546 HA LEU 546 -17.569 -5.071 1.431 914 HB2 LEU 546 HB2 LEU 546 -18.966 -2.575 0.473 915 HB3 LEU 546 HB3 LEU 546 -19.444 -3.457 1.900 916 HG LEU 546 HG LEU 546 -16.718 -2.221 1.553 917 HD11 LEU 546 HD11 LEU 546 -17.520 -0.392 2.955 918 HD12 LEU 546 HD12 LEU 546 -19.138 -1.094 2.961 919 HD13 LEU 546 HD13 LEU 546 -18.446 -0.487 1.457 920 HD21 LEU 546 HD21 LEU 546 -16.653 -2.419 4.012 921 HD22 LEU 546 HD22 LEU 546 -16.799 -3.984 3.213 922 HD23 LEU 546 HD23 LEU 546 -18.211 -3.244 3.965 923 H SER 547 H SER 547 -18.980 -4.353 -1.665 924 HA SER 547 HA SER 547 -21.382 -5.879 -1.303 925 HB2 SER 547 HB2 SER 547 -21.778 -5.474 -3.670 926 HB3 SER 547 HB3 SER 547 -21.222 -3.988 -2.903 927 HG SER 547 HG SER 547 -20.234 -4.720 -5.009 928 H GLN 548 H GLN 548 -18.153 -6.713 -1.988 929 HA GLN 548 HA GLN 548 -18.690 -9.090 -3.519 930 HB2 GLN 548 HB2 GLN 548 -16.149 -8.099 -2.253 931 HB3 GLN 548 HB3 GLN 548 -16.257 -9.502 -3.305 932 HG2 GLN 548 HG2 GLN 548 -16.679 -6.617 -3.999 933 HG3 GLN 548 HG3 GLN 548 -15.450 -7.711 -4.597 934 HE21 GLN 548 HE21 GLN 548 -18.061 -6.093 -5.584 935 HE22 GLN 548 HE22 GLN 548 -18.682 -7.175 -6.780 936 H ILE 549 H ILE 549 -18.325 -8.273 -0.231 937 HA ILE 549 HA ILE 549 -18.129 -11.089 0.576 938 HB ILE 549 HB ILE 549 -17.500 -10.336 2.818 939 HG12 ILE 549 HG12 ILE 549 -17.503 -7.506 1.721 940 HG13 ILE 549 HG13 ILE 549 -18.692 -8.142 2.849 941 HG21 ILE 549 HG21 ILE 549 -15.746 -10.780 1.246 942 HG22 ILE 549 HG22 ILE 549 -15.286 -9.404 2.249 943 HG23 ILE 549 HG23 ILE 549 -15.855 -9.143 0.600 944 HD11 ILE 549 HD11 ILE 549 -15.744 -7.805 3.367 945 HD12 ILE 549 HD12 ILE 549 -16.910 -8.484 4.501 946 HD13 ILE 549 HD13 ILE 549 -17.047 -6.798 4.002 947 H SER 550 H SER 550 -20.340 -8.471 0.473 948 HA SER 550 HA SER 550 -22.115 -9.637 2.483 949 HB2 SER 550 HB2 SER 550 -23.437 -7.610 2.251 950 HB3 SER 550 HB3 SER 550 -21.741 -7.175 2.443 951 HG SER 550 HG SER 550 -21.876 -7.265 -0.045 952 H SER 551 H SER 551 -21.900 -9.140 -0.997 953 HA SER 551 HA SER 551 -24.435 -10.593 -1.353 954 HB2 SER 551 HB2 SER 551 -22.987 -8.734 -3.260 955 HB3 SER 551 HB3 SER 551 -24.459 -9.622 -3.651 956 HG SER 551 HG SER 551 -25.103 -8.442 -1.491 Start of MODEL 18 1 H1 GLY 586 H1 GLY 586 28.388 -1.977 -8.991 2 H2 GLY 586 H2 GLY 586 27.097 -2.067 -10.080 3 H3 GLY 586 H3 GLY 586 27.762 -3.484 -9.438 4 HA2 GLY 586 HA2 GLY 586 26.306 -1.399 -7.905 5 HA3 GLY 586 HA3 GLY 586 25.658 -2.966 -8.369 6 H VAL 587 H VAL 587 26.730 -1.353 -5.816 7 HA VAL 587 HA VAL 587 28.379 -3.440 -4.617 8 HB VAL 587 HB VAL 587 27.476 -0.784 -3.461 9 HG11 VAL 587 HG11 VAL 587 29.167 -1.141 -1.724 10 HG12 VAL 587 HG12 VAL 587 29.518 -2.735 -2.390 11 HG13 VAL 587 HG13 VAL 587 27.935 -2.403 -1.688 12 HG21 VAL 587 HG21 VAL 587 29.796 -0.058 -3.813 13 HG22 VAL 587 HG22 VAL 587 29.003 -0.476 -5.333 14 HG23 VAL 587 HG23 VAL 587 30.150 -1.596 -4.599 15 H ARG 588 H ARG 588 27.644 -4.953 -3.272 16 HA ARG 588 HA ARG 588 24.813 -5.000 -2.582 17 HB2 ARG 588 HB2 ARG 588 26.961 -7.115 -2.311 18 HB3 ARG 588 HB3 ARG 588 25.293 -7.338 -1.814 19 HG2 ARG 588 HG2 ARG 588 24.526 -7.164 -4.084 20 HG3 ARG 588 HG3 ARG 588 26.134 -6.711 -4.641 21 HD2 ARG 588 HD2 ARG 588 25.448 -9.368 -3.377 22 HD3 ARG 588 HD3 ARG 588 25.512 -9.082 -5.116 23 HE ARG 588 HE ARG 588 27.952 -8.263 -4.164 24 HH11 ARG 588 HH11 ARG 588 26.177 -11.295 -4.102 25 HH12 ARG 588 HH12 ARG 588 27.611 -12.266 -4.073 26 HH21 ARG 588 HH21 ARG 588 29.813 -9.554 -4.122 27 HH22 ARG 588 HH22 ARG 588 29.666 -11.280 -4.082 28 H LYS 589 H LYS 589 24.034 -4.555 -0.635 29 HA LYS 589 HA LYS 589 25.921 -4.250 1.602 30 HB2 LYS 589 HB2 LYS 589 23.269 -2.876 1.154 31 HB3 LYS 589 HB3 LYS 589 24.274 -2.674 2.579 32 HG2 LYS 589 HG2 LYS 589 26.048 -1.714 1.152 33 HG3 LYS 589 HG3 LYS 589 24.983 -1.868 -0.244 34 HD2 LYS 589 HD2 LYS 589 23.341 -0.397 0.947 35 HD3 LYS 589 HD3 LYS 589 24.560 -0.146 2.198 36 HE2 LYS 589 HE2 LYS 589 26.082 0.798 0.548 37 HE3 LYS 589 HE3 LYS 589 24.897 0.513 -0.725 38 HZ1 LYS 589 HZ1 LYS 589 23.389 2.041 0.395 39 HZ2 LYS 589 HZ2 LYS 589 24.848 2.805 0.013 40 HZ3 LYS 589 HZ3 LYS 589 24.539 2.322 1.603 41 H GLY 590 H GLY 590 24.373 -4.272 3.802 42 HA2 GLY 590 HA2 GLY 590 23.902 -7.030 4.218 43 HA3 GLY 590 HA3 GLY 590 23.495 -5.742 5.336 44 H TRP 591 H TRP 591 21.668 -4.369 3.592 45 HA TRP 591 HA TRP 591 19.272 -5.758 4.246 46 HB2 TRP 591 HB2 TRP 591 18.124 -3.880 3.210 47 HB3 TRP 591 HB3 TRP 591 19.424 -3.307 4.239 48 HD1 TRP 591 HD1 TRP 591 21.395 -1.936 3.065 49 HE1 TRP 591 HE1 TRP 591 21.633 -0.885 0.727 50 HE3 TRP 591 HE3 TRP 591 17.483 -4.264 0.707 51 HZ2 TRP 591 HZ2 TRP 591 20.331 -1.015 -1.777 52 HZ3 TRP 591 HZ3 TRP 591 17.052 -3.736 -1.655 53 HH2 TRP 591 HH2 TRP 591 18.448 -2.145 -2.870 54 H HIS 592 H HIS 592 21.084 -5.417 1.245 55 HA HIS 592 HA HIS 592 19.074 -6.380 -0.513 56 HB2 HIS 592 HB2 HIS 592 20.946 -5.036 -1.323 57 HB3 HIS 592 HB3 HIS 592 22.091 -6.267 -0.817 58 HD1 HIS 592 HD1 HIS 592 19.592 -5.481 -3.492 59 HD2 HIS 592 HD2 HIS 592 22.407 -8.405 -2.604 60 HE1 HIS 592 HE1 HIS 592 19.841 -6.837 -5.595 61 HE2 HIS 592 HE2 HIS 592 21.459 -8.670 -4.995 62 H GLU 593 H GLU 593 21.603 -7.993 1.353 63 HA GLU 593 HA GLU 593 21.068 -10.589 0.201 64 HB2 GLU 593 HB2 GLU 593 22.888 -9.689 2.445 65 HB3 GLU 593 HB3 GLU 593 22.809 -11.325 1.816 66 HG2 GLU 593 HG2 GLU 593 23.732 -8.869 0.354 67 HG3 GLU 593 HG3 GLU 593 24.696 -10.226 0.922 68 H HIS 594 H HIS 594 19.764 -8.650 2.631 69 HA HIS 594 HA HIS 594 18.832 -10.875 4.286 70 HB2 HIS 594 HB2 HIS 594 19.390 -8.023 4.687 71 HB3 HIS 594 HB3 HIS 594 17.875 -8.527 5.408 72 HD1 HIS 594 HD1 HIS 594 21.242 -8.073 6.325 73 HD2 HIS 594 HD2 HIS 594 18.432 -11.053 7.038 74 HE1 HIS 594 HE1 HIS 594 22.059 -9.282 8.375 75 HE2 HIS 594 HE2 HIS 594 20.298 -11.025 8.846 76 H VAL 595 H VAL 595 17.663 -8.560 1.929 77 HA VAL 595 HA VAL 595 14.867 -9.139 2.510 78 HB VAL 595 HB VAL 595 16.115 -7.373 0.372 79 HG11 VAL 595 HG11 VAL 595 13.979 -8.229 -0.463 80 HG12 VAL 595 HG12 VAL 595 13.847 -6.515 -0.061 81 HG13 VAL 595 HG13 VAL 595 13.184 -7.734 1.031 82 HG21 VAL 595 HG21 VAL 595 16.312 -6.524 2.660 83 HG22 VAL 595 HG22 VAL 595 14.561 -6.677 2.862 84 HG23 VAL 595 HG23 VAL 595 15.222 -5.534 1.689 85 H THR 596 H THR 596 13.707 -10.666 1.516 86 HA THR 596 HA THR 596 14.961 -12.157 -0.695 87 HB THR 596 HB THR 596 13.612 -14.101 -0.011 88 HG1 THR 596 HG1 THR 596 12.891 -12.833 2.393 89 HG21 THR 596 HG21 THR 596 14.744 -14.603 2.107 90 HG22 THR 596 HG22 THR 596 15.193 -12.905 2.273 91 HG23 THR 596 HG23 THR 596 15.847 -13.865 0.945 92 H GLN 597 H GLN 597 13.260 -13.451 -1.962 93 HA GLN 597 HA GLN 597 11.231 -11.836 -3.116 94 HB2 GLN 597 HB2 GLN 597 11.915 -14.781 -3.219 95 HB3 GLN 597 HB3 GLN 597 10.581 -14.115 -4.132 96 HG2 GLN 597 HG2 GLN 597 12.096 -12.824 -5.458 97 HG3 GLN 597 HG3 GLN 597 13.461 -13.276 -4.460 98 HE21 GLN 597 HE21 GLN 597 11.465 -15.918 -4.815 99 HE22 GLN 597 HE22 GLN 597 12.260 -16.647 -6.158 100 H ASP 598 H ASP 598 11.414 -13.787 -0.278 101 HA ASP 598 HA ASP 598 8.575 -14.263 -0.021 102 HB2 ASP 598 HB2 ASP 598 10.949 -14.824 1.755 103 HB3 ASP 598 HB3 ASP 598 9.298 -15.126 2.272 104 H LEU 599 H LEU 599 10.958 -11.979 1.316 105 HA LEU 599 HA LEU 599 9.184 -10.783 3.176 106 HB2 LEU 599 HB2 LEU 599 11.875 -10.317 2.286 107 HB3 LEU 599 HB3 LEU 599 11.018 -8.792 2.317 108 HG LEU 599 HG LEU 599 11.253 -10.668 4.685 109 HD11 LEU 599 HD11 LEU 599 13.427 -9.839 4.181 110 HD12 LEU 599 HD12 LEU 599 12.812 -8.910 5.543 111 HD13 LEU 599 HD13 LEU 599 12.813 -8.204 3.923 112 HD21 LEU 599 HD21 LEU 599 10.197 -7.868 4.405 113 HD22 LEU 599 HD22 LEU 599 10.649 -8.576 5.949 114 HD23 LEU 599 HD23 LEU 599 9.337 -9.283 5.011 115 H ARG 600 H ARG 600 9.964 -9.999 -0.201 116 HA ARG 600 HA ARG 600 8.561 -7.561 -0.295 117 HB2 ARG 600 HB2 ARG 600 9.401 -9.472 -2.480 118 HB3 ARG 600 HB3 ARG 600 8.594 -7.952 -2.820 119 HG2 ARG 600 HG2 ARG 600 10.423 -6.704 -1.900 120 HG3 ARG 600 HG3 ARG 600 11.214 -8.183 -1.353 121 HD2 ARG 600 HD2 ARG 600 12.256 -7.413 -3.394 122 HD3 ARG 600 HD3 ARG 600 11.399 -8.923 -3.696 123 HE ARG 600 HE ARG 600 9.562 -7.123 -4.406 124 HH11 ARG 600 HH11 ARG 600 12.967 -7.316 -5.257 125 HH12 ARG 600 HH12 ARG 600 12.744 -6.541 -6.789 126 HH21 ARG 600 HH21 ARG 600 9.299 -6.110 -6.415 127 HH22 ARG 600 HH22 ARG 600 10.670 -5.858 -7.443 128 H SER 601 H SER 601 7.409 -10.812 -0.399 129 HA SER 601 HA SER 601 4.857 -10.174 -1.615 130 HB2 SER 601 HB2 SER 601 4.350 -12.540 -1.311 131 HB3 SER 601 HB3 SER 601 5.980 -12.376 -1.956 132 HG SER 601 HG SER 601 5.210 -13.579 0.290 133 H HIS 602 H HIS 602 6.154 -10.676 1.623 134 HA HIS 602 HA HIS 602 3.595 -10.800 2.946 135 HB2 HIS 602 HB2 HIS 602 6.399 -10.426 4.051 136 HB3 HIS 602 HB3 HIS 602 4.967 -10.725 5.022 137 HD1 HIS 602 HD1 HIS 602 7.177 -12.688 5.371 138 HD2 HIS 602 HD2 HIS 602 4.277 -13.120 2.425 139 HE1 HIS 602 HE1 HIS 602 7.167 -15.135 4.795 140 HE2 HIS 602 HE2 HIS 602 5.377 -15.382 3.037 141 H LEU 603 H LEU 603 6.011 -8.316 2.333 142 HA LEU 603 HA LEU 603 4.809 -6.230 3.778 143 HB2 LEU 603 HB2 LEU 603 6.671 -6.249 1.434 144 HB3 LEU 603 HB3 LEU 603 6.241 -4.805 2.338 145 HG LEU 603 HG LEU 603 7.468 -7.240 3.604 146 HD11 LEU 603 HD11 LEU 603 8.917 -4.802 2.635 147 HD12 LEU 603 HD12 LEU 603 9.059 -6.444 1.996 148 HD13 LEU 603 HD13 LEU 603 9.602 -6.085 3.634 149 HD21 LEU 603 HD21 LEU 603 6.661 -4.589 4.536 150 HD22 LEU 603 HD22 LEU 603 8.195 -5.205 5.149 151 HD23 LEU 603 HD23 LEU 603 6.712 -6.140 5.378 152 H VAL 604 H VAL 604 4.196 -7.553 0.622 153 HA VAL 604 HA VAL 604 2.395 -5.459 -0.214 154 HB VAL 604 HB VAL 604 3.281 -8.114 -1.348 155 HG11 VAL 604 HG11 VAL 604 0.745 -7.378 -1.799 156 HG12 VAL 604 HG12 VAL 604 1.750 -8.154 -3.020 157 HG13 VAL 604 HG13 VAL 604 1.556 -6.403 -3.028 158 HG21 VAL 604 HG21 VAL 604 4.283 -6.768 -3.031 159 HG22 VAL 604 HG22 VAL 604 4.671 -6.030 -1.466 160 HG23 VAL 604 HG23 VAL 604 3.400 -5.332 -2.486 161 H HIS 605 H HIS 605 2.263 -8.498 1.501 162 HA HIS 605 HA HIS 605 -0.632 -8.559 1.642 163 HB2 HIS 605 HB2 HIS 605 0.788 -10.639 1.743 164 HB3 HIS 605 HB3 HIS 605 1.379 -10.098 3.308 165 HD1 HIS 605 HD1 HIS 605 -1.933 -11.007 1.671 166 HD2 HIS 605 HD2 HIS 605 -0.119 -10.962 5.411 167 HE1 HIS 605 HE1 HIS 605 -3.589 -12.072 3.233 168 HE2 HIS 605 HE2 HIS 605 -2.430 -12.123 5.471 169 H LYS 606 H LYS 606 1.971 -7.027 3.209 170 HA LYS 606 HA LYS 606 0.623 -6.356 5.692 171 HB2 LYS 606 HB2 LYS 606 3.113 -6.597 5.489 172 HB3 LYS 606 HB3 LYS 606 3.119 -5.192 4.433 173 HG2 LYS 606 HG2 LYS 606 2.255 -3.828 6.307 174 HG3 LYS 606 HG3 LYS 606 2.395 -5.243 7.353 175 HD2 LYS 606 HD2 LYS 606 4.793 -5.326 6.882 176 HD3 LYS 606 HD3 LYS 606 4.644 -3.905 5.839 177 HE2 LYS 606 HE2 LYS 606 3.760 -2.665 7.807 178 HE3 LYS 606 HE3 LYS 606 4.103 -4.061 8.807 179 HZ1 LYS 606 HZ1 LYS 606 5.867 -2.405 8.931 180 HZ2 LYS 606 HZ2 LYS 606 6.122 -2.524 7.263 181 HZ3 LYS 606 HZ3 LYS 606 6.440 -3.851 8.262 182 H LEU 607 H LEU 607 0.778 -5.286 2.501 183 HA LEU 607 HA LEU 607 0.165 -2.497 2.925 184 HB2 LEU 607 HB2 LEU 607 0.998 -4.292 0.785 185 HB3 LEU 607 HB3 LEU 607 -0.169 -3.125 0.239 186 HG LEU 607 HG LEU 607 2.222 -2.090 1.669 187 HD11 LEU 607 HD11 LEU 607 3.782 -2.379 0.116 188 HD12 LEU 607 HD12 LEU 607 2.623 -2.412 -1.215 189 HD13 LEU 607 HD13 LEU 607 2.856 -3.845 -0.217 190 HD21 LEU 607 HD21 LEU 607 0.614 -1.143 -0.658 191 HD22 LEU 607 HD22 LEU 607 1.954 -0.277 0.094 192 HD23 LEU 607 HD23 LEU 607 0.485 -0.608 1.019 193 H VAL 608 H VAL 608 -1.403 -5.332 1.461 194 HA VAL 608 HA VAL 608 -3.806 -4.038 0.708 195 HB VAL 608 HB VAL 608 -3.141 -6.983 1.043 196 HG11 VAL 608 HG11 VAL 608 -5.599 -5.781 -0.237 197 HG12 VAL 608 HG12 VAL 608 -5.554 -6.705 1.265 198 HG13 VAL 608 HG13 VAL 608 -5.150 -7.488 -0.264 199 HG21 VAL 608 HG21 VAL 608 -3.431 -5.298 -1.453 200 HG22 VAL 608 HG22 VAL 608 -3.002 -7.007 -1.383 201 HG23 VAL 608 HG23 VAL 608 -1.904 -5.797 -0.724 202 H GLN 609 H GLN 609 -2.772 -5.453 3.729 203 HA GLN 609 HA GLN 609 -5.441 -5.741 4.779 204 HB2 GLN 609 HB2 GLN 609 -2.757 -6.150 6.063 205 HB3 GLN 609 HB3 GLN 609 -4.275 -6.335 6.928 206 HG2 GLN 609 HG2 GLN 609 -3.331 -7.944 4.569 207 HG3 GLN 609 HG3 GLN 609 -3.436 -8.450 6.249 208 HE21 GLN 609 HE21 GLN 609 -4.759 -9.213 3.564 209 HE22 GLN 609 HE22 GLN 609 -6.431 -9.352 3.967 210 H ALA 610 H ALA 610 -2.898 -3.375 4.867 211 HA ALA 610 HA ALA 610 -4.107 -1.754 6.921 212 HB1 ALA 610 HB1 ALA 610 -1.723 -1.691 6.624 213 HB2 ALA 610 HB2 ALA 610 -2.391 -0.105 6.227 214 HB3 ALA 610 HB3 ALA 610 -1.912 -1.212 4.938 215 H ILE 611 H ILE 611 -4.156 -1.904 3.408 216 HA ILE 611 HA ILE 611 -5.516 0.610 3.061 217 HB ILE 611 HB ILE 611 -4.892 -1.632 1.112 218 HG12 ILE 611 HG12 ILE 611 -3.833 1.190 1.283 219 HG13 ILE 611 HG13 ILE 611 -3.023 -0.196 1.966 220 HG21 ILE 611 HG21 ILE 611 -6.913 -0.631 0.296 221 HG22 ILE 611 HG22 ILE 611 -5.575 0.002 -0.664 222 HG23 ILE 611 HG23 ILE 611 -6.292 0.988 0.605 223 HD11 ILE 611 HD11 ILE 611 -2.834 -1.143 -0.328 224 HD12 ILE 611 HD12 ILE 611 -1.971 0.380 -0.111 225 HD13 ILE 611 HD13 ILE 611 -3.520 0.362 -0.945 226 H PHE 612 H PHE 612 -6.481 -2.834 2.726 227 HA PHE 612 HA PHE 612 -9.090 -2.126 3.809 228 HB2 PHE 612 HB2 PHE 612 -9.439 -2.148 1.376 229 HB3 PHE 612 HB3 PHE 612 -8.729 -3.753 1.270 230 HD1 PHE 612 HD1 PHE 612 -11.599 -1.836 2.534 231 HD2 PHE 612 HD2 PHE 612 -10.038 -5.692 1.667 232 HE1 PHE 612 HE1 PHE 612 -13.846 -2.803 2.837 233 HE2 PHE 612 HE2 PHE 612 -12.278 -6.673 1.963 234 HZ PHE 612 HZ PHE 612 -14.187 -5.227 2.548 235 HA PRO 613 HA PRO 613 -7.767 -5.854 6.171 236 HB2 PRO 613 HB2 PRO 613 -10.275 -5.150 7.616 237 HB3 PRO 613 HB3 PRO 613 -8.695 -5.583 8.268 238 HG2 PRO 613 HG2 PRO 613 -9.403 -3.118 8.326 239 HG3 PRO 613 HG3 PRO 613 -7.889 -3.455 7.816 240 HD2 PRO 613 HD2 PRO 613 -10.223 -2.914 6.033 241 HD3 PRO 613 HD3 PRO 613 -8.754 -2.212 5.900 242 H THR 614 H THR 614 -8.392 -7.950 5.901 243 HA THR 614 HA THR 614 -10.762 -8.384 4.258 244 HB THR 614 HB THR 614 -9.810 -10.599 3.764 245 HG1 THR 614 HG1 THR 614 -7.675 -9.625 5.360 246 HG21 THR 614 HG21 THR 614 -7.973 -9.775 2.322 247 HG22 THR 614 HG22 THR 614 -8.079 -8.216 3.141 248 HG23 THR 614 HG23 THR 614 -9.451 -8.820 2.206 249 HA PRO 615 HA PRO 615 -12.789 -10.603 7.720 250 HB2 PRO 615 HB2 PRO 615 -14.876 -10.543 5.617 251 HB3 PRO 615 HB3 PRO 615 -15.024 -10.230 7.330 252 HG2 PRO 615 HG2 PRO 615 -15.098 -8.215 5.760 253 HG3 PRO 615 HG3 PRO 615 -14.116 -8.092 7.059 254 HD2 PRO 615 HD2 PRO 615 -13.195 -8.936 4.301 255 HD3 PRO 615 HD3 PRO 615 -12.499 -7.747 5.178 256 H ASP 616 H ASP 616 -13.287 -11.236 4.283 257 HA ASP 616 HA ASP 616 -13.120 -14.134 4.756 258 HB2 ASP 616 HB2 ASP 616 -15.149 -13.024 3.645 259 HB3 ASP 616 HB3 ASP 616 -14.141 -12.864 2.223 260 HA PRO 617 HA PRO 617 -9.113 -14.280 2.752 261 HB2 PRO 617 HB2 PRO 617 -9.011 -16.999 2.540 262 HB3 PRO 617 HB3 PRO 617 -8.704 -16.139 4.052 263 HG2 PRO 617 HG2 PRO 617 -11.196 -17.424 3.176 264 HG3 PRO 617 HG3 PRO 617 -10.466 -17.529 4.633 265 HD2 PRO 617 HD2 PRO 617 -12.455 -15.943 4.318 266 HD3 PRO 617 HD3 PRO 617 -11.214 -15.500 5.282 267 H ALA 618 H ALA 618 -12.107 -15.432 1.409 268 HA ALA 618 HA ALA 618 -10.952 -16.234 -1.128 269 HB1 ALA 618 HB1 ALA 618 -12.854 -17.473 -0.214 270 HB2 ALA 618 HB2 ALA 618 -13.223 -16.781 -1.794 271 HB3 ALA 618 HB3 ALA 618 -13.851 -16.023 -0.332 272 H ALA 619 H ALA 619 -12.079 -13.315 0.265 273 HA ALA 619 HA ALA 619 -12.889 -11.913 -2.072 274 HB1 ALA 619 HB1 ALA 619 -11.627 -10.777 0.417 275 HB2 ALA 619 HB2 ALA 619 -13.343 -11.150 0.235 276 HB3 ALA 619 HB3 ALA 619 -12.597 -9.901 -0.768 277 H LEU 620 H LEU 620 -9.867 -13.139 -1.282 278 HA LEU 620 HA LEU 620 -8.241 -10.989 -2.280 279 HB2 LEU 620 HB2 LEU 620 -7.579 -13.817 -1.452 280 HB3 LEU 620 HB3 LEU 620 -6.384 -12.661 -1.971 281 HG LEU 620 HG LEU 620 -8.121 -12.207 0.451 282 HD11 LEU 620 HD11 LEU 620 -6.343 -13.014 1.862 283 HD12 LEU 620 HD12 LEU 620 -5.366 -13.419 0.454 284 HD13 LEU 620 HD13 LEU 620 -6.866 -14.291 0.765 285 HD21 LEU 620 HD21 LEU 620 -6.953 -10.260 -0.595 286 HD22 LEU 620 HD22 LEU 620 -5.425 -11.035 -0.175 287 HD23 LEU 620 HD23 LEU 620 -6.555 -10.560 1.095 288 H LYS 621 H LYS 621 -10.088 -13.295 -3.795 289 HA LYS 621 HA LYS 621 -8.245 -13.671 -6.054 290 HB2 LYS 621 HB2 LYS 621 -10.802 -15.123 -5.323 291 HB3 LYS 621 HB3 LYS 621 -9.853 -15.454 -6.758 292 HG2 LYS 621 HG2 LYS 621 -7.981 -16.188 -5.363 293 HG3 LYS 621 HG3 LYS 621 -8.910 -15.834 -3.914 294 HD2 LYS 621 HD2 LYS 621 -10.572 -17.532 -4.588 295 HD3 LYS 621 HD3 LYS 621 -9.595 -17.886 -6.009 296 HE2 LYS 621 HE2 LYS 621 -7.749 -18.577 -4.603 297 HE3 LYS 621 HE3 LYS 621 -8.691 -18.157 -3.178 298 HZ1 LYS 621 HZ1 LYS 621 -10.279 -19.879 -3.741 299 HZ2 LYS 621 HZ2 LYS 621 -8.729 -20.541 -3.608 300 HZ3 LYS 621 HZ3 LYS 621 -9.404 -20.272 -5.136 301 H ASP 622 H ASP 622 -10.067 -11.317 -5.246 302 HA ASP 622 HA ASP 622 -11.950 -11.120 -7.442 303 HB2 ASP 622 HB2 ASP 622 -12.358 -10.340 -5.043 304 HB3 ASP 622 HB3 ASP 622 -11.271 -9.001 -5.397 305 H ARG 623 H ARG 623 -11.957 -9.389 -8.950 306 HA ARG 623 HA ARG 623 -9.389 -8.872 -10.108 307 HB2 ARG 623 HB2 ARG 623 -11.320 -9.401 -11.503 308 HB3 ARG 623 HB3 ARG 623 -12.176 -7.989 -10.904 309 HG2 ARG 623 HG2 ARG 623 -11.351 -7.592 -13.140 310 HG3 ARG 623 HG3 ARG 623 -10.517 -6.546 -11.986 311 HD2 ARG 623 HD2 ARG 623 -8.616 -8.119 -11.977 312 HD3 ARG 623 HD3 ARG 623 -9.452 -9.109 -13.172 313 HE ARG 623 HE ARG 623 -9.356 -6.714 -14.385 314 HH11 ARG 623 HH11 ARG 623 -6.832 -8.591 -12.818 315 HH12 ARG 623 HH12 ARG 623 -5.577 -7.963 -13.835 316 HH21 ARG 623 HH21 ARG 623 -7.699 -5.909 -15.702 317 HH22 ARG 623 HH22 ARG 623 -6.070 -6.447 -15.467 318 H ARG 624 H ARG 624 -11.939 -6.795 -8.747 319 HA ARG 624 HA ARG 624 -10.597 -4.335 -9.025 320 HB2 ARG 624 HB2 ARG 624 -12.835 -5.212 -7.205 321 HB3 ARG 624 HB3 ARG 624 -12.235 -3.560 -7.235 322 HG2 ARG 624 HG2 ARG 624 -12.862 -3.331 -9.558 323 HG3 ARG 624 HG3 ARG 624 -13.356 -5.022 -9.621 324 HD2 ARG 624 HD2 ARG 624 -14.590 -2.953 -7.807 325 HD3 ARG 624 HD3 ARG 624 -15.248 -3.419 -9.375 326 HE ARG 624 HE ARG 624 -14.840 -5.670 -7.665 327 HH11 ARG 624 HH11 ARG 624 -17.100 -3.062 -8.334 328 HH12 ARG 624 HH12 ARG 624 -18.457 -3.920 -7.681 329 HH21 ARG 624 HH21 ARG 624 -16.631 -6.768 -6.818 330 HH22 ARG 624 HH22 ARG 624 -18.190 -6.014 -6.827 331 H MET 625 H MET 625 -10.212 -6.856 -6.690 332 HA MET 625 HA MET 625 -8.902 -5.277 -4.673 333 HB2 MET 625 HB2 MET 625 -10.081 -7.406 -4.165 334 HB3 MET 625 HB3 MET 625 -8.904 -8.275 -5.131 335 HG2 MET 625 HG2 MET 625 -8.399 -8.593 -2.812 336 HG3 MET 625 HG3 MET 625 -7.144 -7.597 -3.533 337 HE1 MET 625 HE1 MET 625 -8.926 -7.923 -0.198 338 HE2 MET 625 HE2 MET 625 -10.261 -7.787 -1.338 339 HE3 MET 625 HE3 MET 625 -9.988 -6.519 -0.143 340 H GLU 626 H GLU 626 -7.874 -7.389 -7.320 341 HA GLU 626 HA GLU 626 -5.121 -7.312 -6.813 342 HB2 GLU 626 HB2 GLU 626 -6.183 -9.030 -8.206 343 HB3 GLU 626 HB3 GLU 626 -6.508 -7.819 -9.439 344 HG2 GLU 626 HG2 GLU 626 -4.103 -7.462 -9.723 345 HG3 GLU 626 HG3 GLU 626 -3.782 -8.689 -8.495 346 H ASN 627 H ASN 627 -7.192 -4.960 -8.194 347 HA ASN 627 HA ASN 627 -5.405 -3.617 -9.926 348 HB2 ASN 627 HB2 ASN 627 -7.985 -2.891 -8.575 349 HB3 ASN 627 HB3 ASN 627 -7.064 -1.645 -9.409 350 HD21 ASN 627 HD21 ASN 627 -9.625 -2.352 -10.166 351 HD22 ASN 627 HD22 ASN 627 -9.571 -3.112 -11.717 352 H LEU 628 H LEU 628 -6.131 -3.147 -6.451 353 HA LEU 628 HA LEU 628 -4.155 -1.027 -6.303 354 HB2 LEU 628 HB2 LEU 628 -5.911 -2.186 -4.150 355 HB3 LEU 628 HB3 LEU 628 -4.737 -0.927 -3.872 356 HG LEU 628 HG LEU 628 -7.115 -0.605 -5.716 357 HD11 LEU 628 HD11 LEU 628 -8.247 0.517 -3.953 358 HD12 LEU 628 HD12 LEU 628 -6.815 0.471 -2.924 359 HD13 LEU 628 HD13 LEU 628 -7.684 -1.022 -3.279 360 HD21 LEU 628 HD21 LEU 628 -6.578 1.798 -5.349 361 HD22 LEU 628 HD22 LEU 628 -5.333 0.909 -6.228 362 HD23 LEU 628 HD23 LEU 628 -5.110 1.285 -4.515 363 H VAL 629 H VAL 629 -4.363 -4.425 -5.667 364 HA VAL 629 HA VAL 629 -2.000 -4.912 -4.260 365 HB VAL 629 HB VAL 629 -3.415 -6.424 -6.452 366 HG11 VAL 629 HG11 VAL 629 -1.909 -8.358 -6.075 367 HG12 VAL 629 HG12 VAL 629 -0.838 -7.298 -5.150 368 HG13 VAL 629 HG13 VAL 629 -1.125 -6.986 -6.867 369 HG21 VAL 629 HG21 VAL 629 -4.435 -6.455 -4.246 370 HG22 VAL 629 HG22 VAL 629 -2.927 -7.033 -3.540 371 HG23 VAL 629 HG23 VAL 629 -3.824 -8.060 -4.657 372 H ALA 630 H ALA 630 -2.576 -4.184 -7.646 373 HA ALA 630 HA ALA 630 0.100 -4.314 -8.561 374 HB1 ALA 630 HB1 ALA 630 -0.823 -3.189 -10.556 375 HB2 ALA 630 HB2 ALA 630 -2.343 -2.950 -9.681 376 HB3 ALA 630 HB3 ALA 630 -1.778 -4.583 -10.040 377 H TYR 631 H TYR 631 -1.729 -1.878 -6.885 378 HA TYR 631 HA TYR 631 0.168 0.246 -7.283 379 HB2 TYR 631 HB2 TYR 631 -2.194 0.738 -6.646 380 HB3 TYR 631 HB3 TYR 631 -1.953 -0.090 -5.119 381 HD1 TYR 631 HD1 TYR 631 0.479 2.229 -6.710 382 HD2 TYR 631 HD2 TYR 631 -2.441 1.710 -3.632 383 HE1 TYR 631 HE1 TYR 631 1.097 4.405 -5.737 384 HE2 TYR 631 HE2 TYR 631 -1.808 3.874 -2.658 385 HH TYR 631 HH TYR 631 0.115 5.400 -2.649 386 H ALA 632 H ALA 632 -0.313 -2.339 -4.922 387 HA ALA 632 HA ALA 632 1.689 -1.381 -3.086 388 HB1 ALA 632 HB1 ALA 632 0.210 -3.991 -3.220 389 HB2 ALA 632 HB2 ALA 632 -0.175 -2.598 -2.210 390 HB3 ALA 632 HB3 ALA 632 1.319 -3.517 -1.927 391 H LYS 633 H LYS 633 1.571 -3.730 -5.726 392 HA LYS 633 HA LYS 633 4.038 -5.034 -5.243 393 HB2 LYS 633 HB2 LYS 633 2.515 -4.598 -7.827 394 HB3 LYS 633 HB3 LYS 633 3.965 -5.572 -7.722 395 HG2 LYS 633 HG2 LYS 633 2.760 -7.066 -6.121 396 HG3 LYS 633 HG3 LYS 633 1.301 -6.130 -6.426 397 HD2 LYS 633 HD2 LYS 633 1.283 -6.797 -8.736 398 HD3 LYS 633 HD3 LYS 633 2.869 -7.537 -8.572 399 HE2 LYS 633 HE2 LYS 633 1.974 -9.215 -7.071 400 HE3 LYS 633 HE3 LYS 633 0.389 -8.452 -7.132 401 HZ1 LYS 633 HZ1 LYS 633 0.502 -10.377 -8.586 402 HZ2 LYS 633 HZ2 LYS 633 1.795 -9.696 -9.434 403 HZ3 LYS 633 HZ3 LYS 633 0.270 -8.966 -9.493 404 H LYS 634 H LYS 634 3.234 -1.943 -6.499 405 HA LYS 634 HA LYS 634 5.664 -1.518 -8.011 406 HB2 LYS 634 HB2 LYS 634 3.522 -0.647 -8.825 407 HB3 LYS 634 HB3 LYS 634 3.339 0.311 -7.367 408 HG2 LYS 634 HG2 LYS 634 4.023 1.686 -9.254 409 HG3 LYS 634 HG3 LYS 634 5.265 1.675 -7.999 410 HD2 LYS 634 HD2 LYS 634 6.390 -0.172 -9.362 411 HD3 LYS 634 HD3 LYS 634 5.274 0.249 -10.658 412 HE2 LYS 634 HE2 LYS 634 6.156 2.542 -10.666 413 HE3 LYS 634 HE3 LYS 634 7.266 2.122 -9.365 414 HZ1 LYS 634 HZ1 LYS 634 7.258 0.931 -12.088 415 HZ2 LYS 634 HZ2 LYS 634 8.321 0.518 -10.841 416 HZ3 LYS 634 HZ3 LYS 634 8.367 2.072 -11.509 417 H VAL 635 H VAL 635 4.371 -0.608 -4.846 418 HA VAL 635 HA VAL 635 6.195 1.574 -4.496 419 HB VAL 635 HB VAL 635 5.318 1.796 -2.216 420 HG11 VAL 635 HG11 VAL 635 2.993 2.330 -2.824 421 HG12 VAL 635 HG12 VAL 635 3.215 1.458 -4.342 422 HG13 VAL 635 HG13 VAL 635 4.166 2.905 -4.013 423 HG21 VAL 635 HG21 VAL 635 4.913 -0.477 -1.554 424 HG22 VAL 635 HG22 VAL 635 3.705 -0.692 -2.824 425 HG23 VAL 635 HG23 VAL 635 3.392 0.412 -1.481 426 H GLU 636 H GLU 636 6.399 -1.807 -3.829 427 HA GLU 636 HA GLU 636 8.422 -1.727 -1.804 428 HB2 GLU 636 HB2 GLU 636 8.698 -4.077 -2.220 429 HB3 GLU 636 HB3 GLU 636 6.984 -3.724 -2.342 430 HG2 GLU 636 HG2 GLU 636 7.185 -3.738 -4.798 431 HG3 GLU 636 HG3 GLU 636 8.885 -4.167 -4.638 432 H GLY 637 H GLY 637 8.457 -1.540 -5.316 433 HA2 GLY 637 HA2 GLY 637 11.273 -2.182 -5.581 434 HA3 GLY 637 HA3 GLY 637 10.168 -1.769 -6.879 435 H ASP 638 H ASP 638 9.283 0.739 -5.712 436 HA ASP 638 HA ASP 638 11.385 2.471 -6.591 437 HB2 ASP 638 HB2 ASP 638 8.705 3.013 -5.310 438 HB3 ASP 638 HB3 ASP 638 9.813 4.297 -5.777 439 H MET 639 H MET 639 10.517 1.111 -3.581 440 HA MET 639 HA MET 639 11.767 2.994 -1.833 441 HB2 MET 639 HB2 MET 639 10.769 0.180 -1.555 442 HB3 MET 639 HB3 MET 639 11.656 0.964 -0.248 443 HG2 MET 639 HG2 MET 639 9.960 2.808 -0.389 444 HG3 MET 639 HG3 MET 639 9.027 1.773 -1.447 445 HE1 MET 639 HE1 MET 639 10.425 -0.806 0.285 446 HE2 MET 639 HE2 MET 639 8.847 -0.970 -0.486 447 HE3 MET 639 HE3 MET 639 9.034 -1.322 1.237 448 H TYR 640 H TYR 640 12.897 0.389 -3.803 449 HA TYR 640 HA TYR 640 15.220 -0.334 -2.286 450 HB2 TYR 640 HB2 TYR 640 14.196 -0.962 -5.048 451 HB3 TYR 640 HB3 TYR 640 15.810 -1.472 -4.545 452 HD1 TYR 640 HD1 TYR 640 12.612 -2.622 -4.954 453 HD2 TYR 640 HD2 TYR 640 15.688 -2.583 -2.010 454 HE1 TYR 640 HE1 TYR 640 11.648 -4.634 -3.928 455 HE2 TYR 640 HE2 TYR 640 14.726 -4.597 -0.977 456 HH TYR 640 HH TYR 640 12.370 -6.500 -2.502 457 H GLU 641 H GLU 641 14.533 1.968 -4.830 458 HA GLU 641 HA GLU 641 17.339 2.577 -5.301 459 HB2 GLU 641 HB2 GLU 641 14.803 3.760 -6.444 460 HB3 GLU 641 HB3 GLU 641 16.413 4.289 -6.882 461 HG2 GLU 641 HG2 GLU 641 15.283 1.542 -7.317 462 HG3 GLU 641 HG3 GLU 641 15.515 2.791 -8.533 463 H SER 642 H SER 642 14.771 3.697 -3.298 464 HA SER 642 HA SER 642 15.973 6.334 -2.904 465 HB2 SER 642 HB2 SER 642 13.905 6.840 -1.632 466 HB3 SER 642 HB3 SER 642 13.564 6.289 -3.272 467 HG SER 642 HG SER 642 12.343 4.866 -2.331 468 H ALA 643 H ALA 643 15.276 3.360 -1.104 469 HA ALA 643 HA ALA 643 16.307 4.510 1.369 470 HB1 ALA 643 HB1 ALA 643 15.587 2.444 2.428 471 HB2 ALA 643 HB2 ALA 643 15.198 1.755 0.850 472 HB3 ALA 643 HB3 ALA 643 14.286 3.134 1.458 473 H ASN 644 H ASN 644 18.084 3.734 2.500 474 HA ASN 644 HA ASN 644 19.983 2.098 0.943 475 HB2 ASN 644 HB2 ASN 644 20.570 4.375 2.859 476 HB3 ASN 644 HB3 ASN 644 21.791 3.380 2.076 477 HD21 ASN 644 HD21 ASN 644 20.022 6.194 1.899 478 HD22 ASN 644 HD22 ASN 644 20.308 6.592 0.240 479 H SER 645 H SER 645 18.188 2.345 3.835 480 HA SER 645 HA SER 645 19.770 0.196 5.071 481 HB2 SER 645 HB2 SER 645 19.534 1.207 7.273 482 HB3 SER 645 HB3 SER 645 20.280 2.371 6.178 483 HG SER 645 HG SER 645 18.067 3.199 5.892 484 H ARG 646 H ARG 646 18.346 -0.564 7.176 485 HA ARG 646 HA ARG 646 15.984 -1.724 6.000 486 HB2 ARG 646 HB2 ARG 646 17.552 -2.992 7.486 487 HB3 ARG 646 HB3 ARG 646 16.998 -2.019 8.834 488 HG2 ARG 646 HG2 ARG 646 14.750 -2.933 8.596 489 HG3 ARG 646 HG3 ARG 646 15.265 -3.869 7.195 490 HD2 ARG 646 HD2 ARG 646 15.202 -5.332 9.096 491 HD3 ARG 646 HD3 ARG 646 16.893 -5.061 8.679 492 HE ARG 646 HE ARG 646 17.194 -3.994 10.684 493 HH11 ARG 646 HH11 ARG 646 13.744 -4.469 10.213 494 HH12 ARG 646 HH12 ARG 646 13.341 -3.902 11.798 495 HH21 ARG 646 HH21 ARG 646 16.645 -3.248 12.733 496 HH22 ARG 646 HH22 ARG 646 14.985 -3.208 13.224 497 H ASP 647 H ASP 647 16.649 0.800 8.343 498 HA ASP 647 HA ASP 647 13.974 0.832 9.419 499 HB2 ASP 647 HB2 ASP 647 16.374 2.627 9.836 500 HB3 ASP 647 HB3 ASP 647 14.835 2.872 10.653 501 H GLU 648 H GLU 648 15.609 2.425 6.799 502 HA GLU 648 HA GLU 648 13.626 4.544 6.575 503 HB2 GLU 648 HB2 GLU 648 15.965 3.790 4.796 504 HB3 GLU 648 HB3 GLU 648 14.928 5.180 4.534 505 HG2 GLU 648 HG2 GLU 648 16.737 4.728 6.904 506 HG3 GLU 648 HG3 GLU 648 17.025 5.838 5.570 507 H TYR 649 H TYR 649 14.621 1.644 4.790 508 HA TYR 649 HA TYR 649 12.793 1.678 2.702 509 HB2 TYR 649 HB2 TYR 649 14.693 0.172 2.756 510 HB3 TYR 649 HB3 TYR 649 14.074 -0.631 4.187 511 HD1 TYR 649 HD1 TYR 649 13.518 -0.168 0.543 512 HD2 TYR 649 HD2 TYR 649 12.578 -2.440 4.013 513 HE1 TYR 649 HE1 TYR 649 12.432 -1.905 -0.870 514 HE2 TYR 649 HE2 TYR 649 11.508 -4.142 2.625 515 HH TYR 649 HH TYR 649 10.444 -4.371 0.498 516 H TYR 650 H TYR 650 12.448 0.005 5.840 517 HA TYR 650 HA TYR 650 9.786 -0.837 5.393 518 HB2 TYR 650 HB2 TYR 650 11.545 -0.723 7.834 519 HB3 TYR 650 HB3 TYR 650 9.877 -1.270 7.927 520 HD1 TYR 650 HD1 TYR 650 12.711 -2.719 8.326 521 HD2 TYR 650 HD2 TYR 650 9.718 -2.742 5.295 522 HE1 TYR 650 HE1 TYR 650 13.433 -4.945 7.641 523 HE2 TYR 650 HE2 TYR 650 10.427 -4.998 4.615 524 HH TYR 650 HH TYR 650 12.485 -6.921 6.496 525 H HIS 651 H HIS 651 11.059 2.184 6.507 526 HA HIS 651 HA HIS 651 8.624 3.002 7.852 527 HB2 HIS 651 HB2 HIS 651 10.728 3.814 8.730 528 HB3 HIS 651 HB3 HIS 651 11.121 4.525 7.177 529 HD1 HIS 651 HD1 HIS 651 10.671 6.946 7.023 530 HD2 HIS 651 HD2 HIS 651 8.232 5.118 9.850 531 HE1 HIS 651 HE1 HIS 651 9.321 8.803 8.048 532 HE2 HIS 651 HE2 HIS 651 7.925 7.686 9.823 533 H LEU 652 H LEU 652 10.205 3.559 4.756 534 HA LEU 652 HA LEU 652 8.486 5.480 3.676 535 HB2 LEU 652 HB2 LEU 652 10.171 3.344 2.458 536 HB3 LEU 652 HB3 LEU 652 9.284 4.490 1.494 537 HG LEU 652 HG LEU 652 11.391 5.288 3.487 538 HD11 LEU 652 HD11 LEU 652 12.860 5.721 1.584 539 HD12 LEU 652 HD12 LEU 652 11.662 5.013 0.501 540 HD13 LEU 652 HD13 LEU 652 12.459 4.006 1.708 541 HD21 LEU 652 HD21 LEU 652 9.744 6.981 3.031 542 HD22 LEU 652 HD22 LEU 652 9.956 6.749 1.297 543 HD23 LEU 652 HD23 LEU 652 11.273 7.417 2.263 544 H LEU 653 H LEU 653 8.354 1.938 3.561 545 HA LEU 653 HA LEU 653 5.877 1.789 2.149 546 HB2 LEU 653 HB2 LEU 653 7.665 -0.024 2.386 547 HB3 LEU 653 HB3 LEU 653 6.969 -0.350 3.958 548 HG LEU 653 HG LEU 653 5.121 -1.383 3.072 549 HD11 LEU 653 HD11 LEU 653 4.087 -0.858 0.985 550 HD12 LEU 653 HD12 LEU 653 5.428 0.201 0.551 551 HD13 LEU 653 HD13 LEU 653 4.365 0.632 1.890 552 HD21 LEU 653 HD21 LEU 653 6.798 -1.698 0.617 553 HD22 LEU 653 HD22 LEU 653 5.733 -2.874 1.393 554 HD23 LEU 653 HD23 LEU 653 7.265 -2.435 2.146 555 H ALA 654 H ALA 654 6.667 2.218 5.509 556 HA ALA 654 HA ALA 654 4.060 1.410 6.502 557 HB1 ALA 654 HB1 ALA 654 4.901 1.973 8.677 558 HB2 ALA 654 HB2 ALA 654 6.287 2.809 7.975 559 HB3 ALA 654 HB3 ALA 654 6.134 1.058 7.808 560 H GLU 655 H GLU 655 5.644 4.385 5.542 561 HA GLU 655 HA GLU 655 3.813 6.115 6.889 562 HB2 GLU 655 HB2 GLU 655 6.118 6.828 6.332 563 HB3 GLU 655 HB3 GLU 655 5.701 6.796 4.627 564 HG2 GLU 655 HG2 GLU 655 3.855 8.496 5.347 565 HG3 GLU 655 HG3 GLU 655 4.899 8.737 6.743 566 H LYS 656 H LYS 656 3.912 4.736 3.638 567 HA LYS 656 HA LYS 656 1.658 6.152 2.615 568 HB2 LYS 656 HB2 LYS 656 2.636 3.379 1.907 569 HB3 LYS 656 HB3 LYS 656 1.401 4.242 1.030 570 HG2 LYS 656 HG2 LYS 656 3.045 5.958 0.394 571 HG3 LYS 656 HG3 LYS 656 4.299 5.065 1.257 572 HD2 LYS 656 HD2 LYS 656 3.910 3.139 -0.269 573 HD3 LYS 656 HD3 LYS 656 2.741 4.111 -1.162 574 HE2 LYS 656 HE2 LYS 656 5.661 4.790 -0.792 575 HE3 LYS 656 HE3 LYS 656 4.964 4.061 -2.239 576 HZ1 LYS 656 HZ1 LYS 656 3.586 6.036 -2.513 577 HZ2 LYS 656 HZ2 LYS 656 5.228 6.439 -2.507 578 HZ3 LYS 656 HZ3 LYS 656 4.281 6.734 -1.138 579 H ILE 657 H ILE 657 2.121 3.458 4.720 580 HA ILE 657 HA ILE 657 -0.497 2.344 4.587 581 HB ILE 657 HB ILE 657 1.915 1.963 6.339 582 HG12 ILE 657 HG12 ILE 657 0.289 0.076 4.615 583 HG13 ILE 657 HG13 ILE 657 1.750 0.904 4.113 584 HG21 ILE 657 HG21 ILE 657 -0.121 1.866 7.846 585 HG22 ILE 657 HG22 ILE 657 0.922 0.439 7.828 586 HG23 ILE 657 HG23 ILE 657 -0.602 0.428 6.939 587 HD11 ILE 657 HD11 ILE 657 3.033 -0.379 5.773 588 HD12 ILE 657 HD12 ILE 657 2.194 -1.430 4.630 589 HD13 ILE 657 HD13 ILE 657 1.554 -1.210 6.257 590 H TYR 658 H TYR 658 0.999 4.879 6.492 591 HA TYR 658 HA TYR 658 -1.249 5.106 8.302 592 HB2 TYR 658 HB2 TYR 658 1.199 6.853 7.954 593 HB3 TYR 658 HB3 TYR 658 0.006 7.035 9.227 594 HD1 TYR 658 HD1 TYR 658 -0.300 3.918 9.563 595 HD2 TYR 658 HD2 TYR 658 3.029 6.570 9.535 596 HE1 TYR 658 HE1 TYR 658 0.959 2.346 10.974 597 HE2 TYR 658 HE2 TYR 658 4.296 5.004 10.944 598 HH TYR 658 HH TYR 658 3.304 1.811 11.492 599 H LYS 659 H LYS 659 -0.043 6.694 5.397 600 HA LYS 659 HA LYS 659 -1.710 9.008 5.539 601 HB2 LYS 659 HB2 LYS 659 -0.155 7.809 3.268 602 HB3 LYS 659 HB3 LYS 659 -1.094 9.276 3.095 603 HG2 LYS 659 HG2 LYS 659 0.291 10.313 4.862 604 HG3 LYS 659 HG3 LYS 659 1.279 8.856 4.901 605 HD2 LYS 659 HD2 LYS 659 1.949 9.196 2.591 606 HD3 LYS 659 HD3 LYS 659 0.887 10.594 2.452 607 HE2 LYS 659 HE2 LYS 659 2.208 11.767 4.139 608 HE3 LYS 659 HE3 LYS 659 3.252 10.356 4.276 609 HZ1 LYS 659 HZ1 LYS 659 4.241 12.050 2.869 610 HZ2 LYS 659 HZ2 LYS 659 2.908 11.997 1.829 611 HZ3 LYS 659 HZ3 LYS 659 3.916 10.648 1.978 612 H ILE 660 H ILE 660 -2.003 5.892 3.931 613 HA ILE 660 HA ILE 660 -4.401 6.485 2.501 614 HB ILE 660 HB ILE 660 -3.075 3.866 3.252 615 HG12 ILE 660 HG12 ILE 660 -3.492 5.130 0.536 616 HG13 ILE 660 HG13 ILE 660 -2.065 5.434 1.513 617 HG21 ILE 660 HG21 ILE 660 -5.455 3.416 3.140 618 HG22 ILE 660 HG22 ILE 660 -4.665 2.755 1.711 619 HG23 ILE 660 HG23 ILE 660 -5.575 4.258 1.596 620 HD11 ILE 660 HD11 ILE 660 -1.619 2.959 1.454 621 HD12 ILE 660 HD12 ILE 660 -1.489 3.794 -0.096 622 HD13 ILE 660 HD13 ILE 660 -2.925 2.836 0.266 623 H GLN 661 H GLN 661 -3.672 5.294 5.699 624 HA GLN 661 HA GLN 661 -6.316 4.689 6.536 625 HB2 GLN 661 HB2 GLN 661 -3.777 5.332 8.028 626 HB3 GLN 661 HB3 GLN 661 -5.275 4.949 8.856 627 HG2 GLN 661 HG2 GLN 661 -5.304 2.746 7.880 628 HG3 GLN 661 HG3 GLN 661 -3.919 3.125 6.875 629 HE21 GLN 661 HE21 GLN 661 -3.589 0.887 8.210 630 HE22 GLN 661 HE22 GLN 661 -2.587 1.086 9.605 631 H LYS 662 H LYS 662 -4.620 7.662 6.109 632 HA LYS 662 HA LYS 662 -6.279 9.273 7.845 633 HB2 LYS 662 HB2 LYS 662 -3.977 9.954 7.367 634 HB3 LYS 662 HB3 LYS 662 -4.363 10.069 5.665 635 HG2 LYS 662 HG2 LYS 662 -5.817 11.958 6.079 636 HG3 LYS 662 HG3 LYS 662 -5.575 11.809 7.801 637 HD2 LYS 662 HD2 LYS 662 -4.243 13.622 7.018 638 HD3 LYS 662 HD3 LYS 662 -3.151 12.306 7.417 639 HE2 LYS 662 HE2 LYS 662 -2.442 13.275 5.387 640 HE3 LYS 662 HE3 LYS 662 -3.106 11.696 5.027 641 HZ1 LYS 662 HZ1 LYS 662 -4.514 14.285 4.650 642 HZ2 LYS 662 HZ2 LYS 662 -5.162 12.757 4.322 643 HZ3 LYS 662 HZ3 LYS 662 -3.852 13.331 3.418 644 H GLU 663 H GLU 663 -6.156 8.495 4.417 645 HA GLU 663 HA GLU 663 -7.937 10.458 3.451 646 HB2 GLU 663 HB2 GLU 663 -7.037 7.799 2.329 647 HB3 GLU 663 HB3 GLU 663 -8.087 8.897 1.457 648 HG2 GLU 663 HG2 GLU 663 -5.287 9.473 2.379 649 HG3 GLU 663 HG3 GLU 663 -5.811 9.130 0.729 650 H LEU 664 H LEU 664 -8.416 7.037 4.295 651 HA LEU 664 HA LEU 664 -11.207 6.993 3.742 652 HB2 LEU 664 HB2 LEU 664 -9.476 5.171 5.411 653 HB3 LEU 664 HB3 LEU 664 -11.187 4.896 5.184 654 HG LEU 664 HG LEU 664 -9.209 4.985 2.900 655 HD11 LEU 664 HD11 LEU 664 -10.296 2.495 4.198 656 HD12 LEU 664 HD12 LEU 664 -8.687 3.148 4.498 657 HD13 LEU 664 HD13 LEU 664 -9.129 2.605 2.879 658 HD21 LEU 664 HD21 LEU 664 -12.016 3.909 3.049 659 HD22 LEU 664 HD22 LEU 664 -10.956 3.866 1.638 660 HD23 LEU 664 HD23 LEU 664 -11.522 5.415 2.269 661 H GLU 665 H GLU 665 -9.409 8.176 6.425 662 HA GLU 665 HA GLU 665 -11.448 8.009 8.422 663 HB2 GLU 665 HB2 GLU 665 -8.789 9.299 8.152 664 HB3 GLU 665 HB3 GLU 665 -9.875 9.991 9.344 665 HG2 GLU 665 HG2 GLU 665 -9.728 7.092 9.523 666 HG3 GLU 665 HG3 GLU 665 -8.156 7.866 9.719 667 H GLU 666 H GLU 666 -10.917 10.090 5.735 668 HA GLU 666 HA GLU 666 -12.398 12.369 6.576 669 HB2 GLU 666 HB2 GLU 666 -11.777 11.274 3.828 670 HB3 GLU 666 HB3 GLU 666 -12.631 12.787 4.090 671 HG2 GLU 666 HG2 GLU 666 -9.822 12.147 4.969 672 HG3 GLU 666 HG3 GLU 666 -10.291 13.196 3.632 673 H LYS 667 H LYS 667 -13.301 9.216 5.489 674 HA LYS 667 HA LYS 667 -16.086 9.844 4.994 675 HB2 LYS 667 HB2 LYS 667 -14.621 7.215 5.260 676 HB3 LYS 667 HB3 LYS 667 -16.341 7.351 4.944 677 HG2 LYS 667 HG2 LYS 667 -15.402 6.972 2.845 678 HG3 LYS 667 HG3 LYS 667 -15.689 8.711 2.883 679 HD2 LYS 667 HD2 LYS 667 -13.316 9.055 3.507 680 HD3 LYS 667 HD3 LYS 667 -13.047 7.326 3.354 681 HE2 LYS 667 HE2 LYS 667 -13.081 7.374 1.081 682 HE3 LYS 667 HE3 LYS 667 -14.231 8.706 1.036 683 HZ1 LYS 667 HZ1 LYS 667 -11.333 8.927 1.635 684 HZ2 LYS 667 HZ2 LYS 667 -12.432 10.212 1.671 685 HZ3 LYS 667 HZ3 LYS 667 -12.103 9.423 0.212 686 H ARG 668 H ARG 668 -14.104 9.199 7.681 687 HA ARG 668 HA ARG 668 -16.169 8.116 9.408 688 HB2 ARG 668 HB2 ARG 668 -13.280 8.882 9.884 689 HB3 ARG 668 HB3 ARG 668 -14.310 8.198 11.121 690 HG2 ARG 668 HG2 ARG 668 -14.580 6.168 9.763 691 HG3 ARG 668 HG3 ARG 668 -13.467 6.850 8.568 692 HD2 ARG 668 HD2 ARG 668 -11.732 7.002 10.255 693 HD3 ARG 668 HD3 ARG 668 -12.830 6.373 11.475 694 HE ARG 668 HE ARG 668 -12.723 4.502 9.416 695 HH11 ARG 668 HH11 ARG 668 -10.525 5.822 11.821 696 HH12 ARG 668 HH12 ARG 668 -9.586 4.370 11.925 697 HH21 ARG 668 HH21 ARG 668 -11.476 2.613 9.572 698 HH22 ARG 668 HH22 ARG 668 -10.121 2.560 10.650 699 H ARG 669 H ARG 669 -14.795 11.208 8.636 700 HA ARG 669 HA ARG 669 -15.690 12.479 11.101 701 HB2 ARG 669 HB2 ARG 669 -14.180 13.559 8.714 702 HB3 ARG 669 HB3 ARG 669 -14.638 14.528 10.106 703 HG2 ARG 669 HG2 ARG 669 -13.267 13.116 11.546 704 HG3 ARG 669 HG3 ARG 669 -12.836 12.118 10.154 705 HD2 ARG 669 HD2 ARG 669 -11.815 14.036 9.081 706 HD3 ARG 669 HD3 ARG 669 -12.245 15.056 10.454 707 HE ARG 669 HE ARG 669 -10.777 12.968 11.496 708 HH11 ARG 669 HH11 ARG 669 -10.169 15.529 9.169 709 HH12 ARG 669 HH12 ARG 669 -8.475 15.599 9.516 710 HH21 ARG 669 HH21 ARG 669 -8.559 13.081 11.936 711 HH22 ARG 669 HH22 ARG 669 -7.564 14.213 11.082 712 H SER 670 H SER 670 -17.095 11.736 8.174 713 HA SER 670 HA SER 670 -18.606 14.168 7.786 714 HB2 SER 670 HB2 SER 670 -19.664 12.944 5.938 715 HB3 SER 670 HB3 SER 670 -17.906 12.872 5.850 716 HG SER 670 HG SER 670 -19.530 10.838 6.982 717 H ARG 671 H ARG 671 -18.915 11.590 9.892 718 HA ARG 671 HA ARG 671 -21.839 11.606 9.929 719 HB2 ARG 671 HB2 ARG 671 -19.851 9.866 11.371 720 HB3 ARG 671 HB3 ARG 671 -21.597 9.729 11.528 721 HG2 ARG 671 HG2 ARG 671 -21.732 9.245 9.105 722 HG3 ARG 671 HG3 ARG 671 -19.973 9.293 9.030 723 HD2 ARG 671 HD2 ARG 671 -19.926 7.563 10.771 724 HD3 ARG 671 HD3 ARG 671 -21.673 7.395 10.616 725 HE ARG 671 HE ARG 671 -20.564 7.113 8.073 726 HH11 ARG 671 HH11 ARG 671 -20.529 5.350 11.114 727 HH12 ARG 671 HH12 ARG 671 -20.266 3.816 10.353 728 HH21 ARG 671 HH21 ARG 671 -20.221 5.093 7.102 729 HH22 ARG 671 HH22 ARG 671 -20.095 3.672 8.084 730 H LEU 672 H LEU 672 -19.388 13.332 11.288 731 HA LEU 672 HA LEU 672 -20.824 13.827 13.807 732 HB2 LEU 672 HB2 LEU 672 -17.958 14.502 13.102 733 HB3 LEU 672 HB3 LEU 672 -18.725 14.853 14.630 734 HG LEU 672 HG LEU 672 -18.208 12.062 13.582 735 HD11 LEU 672 HD11 LEU 672 -16.368 11.890 15.099 736 HD12 LEU 672 HD12 LEU 672 -16.654 13.518 15.708 737 HD13 LEU 672 HD13 LEU 672 -16.112 13.281 14.046 738 HD21 LEU 672 HD21 LEU 672 -19.071 12.986 16.315 739 HD22 LEU 672 HD22 LEU 672 -18.677 11.328 15.862 740 HD23 LEU 672 HD23 LEU 672 -20.069 12.133 15.137 741 H1 GLY 519 H1 GLY 519 -5.191 16.332 -27.978 742 H2 GLY 519 H2 GLY 519 -6.001 17.530 -28.853 743 H3 GLY 519 H3 GLY 519 -5.588 16.071 -29.602 744 HA2 GLY 519 HA2 GLY 519 -7.939 16.102 -29.077 745 HA3 GLY 519 HA3 GLY 519 -7.096 14.856 -28.169 746 H SER 520 H SER 520 -8.271 18.188 -27.972 747 HA SER 520 HA SER 520 -9.143 19.466 -26.329 748 HB2 SER 520 HB2 SER 520 -10.834 17.808 -25.988 749 HB3 SER 520 HB3 SER 520 -9.730 16.770 -25.088 750 HG SER 520 HG SER 520 -9.647 18.495 -23.504 751 HA PRO 521 HA PRO 521 -5.512 20.012 -23.712 752 HB2 PRO 521 HB2 PRO 521 -6.144 22.480 -22.740 753 HB3 PRO 521 HB3 PRO 521 -5.506 22.215 -24.359 754 HG2 PRO 521 HG2 PRO 521 -8.260 22.662 -23.524 755 HG3 PRO 521 HG3 PRO 521 -7.487 23.234 -24.844 756 HD2 PRO 521 HD2 PRO 521 -9.150 21.272 -24.938 757 HD3 PRO 521 HD3 PRO 521 -7.940 21.460 -26.019 758 H GLY 522 H GLY 522 -4.973 19.679 -21.601 759 HA2 GLY 522 HA2 GLY 522 -6.079 20.283 -19.253 760 HA3 GLY 522 HA3 GLY 522 -7.133 18.979 -19.774 761 H TYR 523 H TYR 523 -6.225 18.177 -17.637 762 HA TYR 523 HA TYR 523 -3.705 16.717 -18.092 763 HB2 TYR 523 HB2 TYR 523 -4.919 17.518 -15.434 764 HB3 TYR 523 HB3 TYR 523 -3.399 16.664 -15.659 765 HD1 TYR 523 HD1 TYR 523 -5.069 19.901 -15.734 766 HD2 TYR 523 HD2 TYR 523 -1.431 17.854 -16.571 767 HE1 TYR 523 HE1 TYR 523 -3.888 22.055 -15.838 768 HE2 TYR 523 HE2 TYR 523 -0.240 20.004 -16.673 769 HH TYR 523 HH TYR 523 -1.598 22.913 -15.580 770 HA PRO 524 HA PRO 524 -6.810 13.286 -18.006 771 HB2 PRO 524 HB2 PRO 524 -4.522 11.872 -19.283 772 HB3 PRO 524 HB3 PRO 524 -6.225 11.900 -19.751 773 HG2 PRO 524 HG2 PRO 524 -4.588 13.285 -21.171 774 HG3 PRO 524 HG3 PRO 524 -5.973 14.020 -20.712 775 HD2 PRO 524 HD2 PRO 524 -3.342 14.291 -19.251 776 HD3 PRO 524 HD3 PRO 524 -4.238 15.553 -19.774 777 H ASN 525 H ASN 525 -3.330 12.980 -17.294 778 HA ASN 525 HA ASN 525 -4.008 11.316 -14.959 779 HB2 ASN 525 HB2 ASN 525 -1.702 10.936 -16.894 780 HB3 ASN 525 HB3 ASN 525 -1.820 10.115 -15.344 781 HD21 ASN 525 HD21 ASN 525 -3.755 8.771 -15.014 782 HD22 ASN 525 HD22 ASN 525 -4.392 7.903 -16.366 783 H GLY 526 H GLY 526 -3.182 12.013 -13.078 784 HA2 GLY 526 HA2 GLY 526 -1.012 14.017 -13.149 785 HA3 GLY 526 HA3 GLY 526 -2.447 14.258 -12.164 786 H LEU 527 H LEU 527 0.657 12.876 -12.349 787 HA LEU 527 HA LEU 527 0.301 11.679 -9.700 788 HB2 LEU 527 HB2 LEU 527 1.942 10.612 -11.982 789 HB3 LEU 527 HB3 LEU 527 2.210 10.102 -10.343 790 HG LEU 527 HG LEU 527 -0.538 9.654 -10.936 791 HD11 LEU 527 HD11 LEU 527 1.268 8.544 -13.059 792 HD12 LEU 527 HD12 LEU 527 0.017 9.763 -13.283 793 HD13 LEU 527 HD13 LEU 527 -0.425 8.122 -12.810 794 HD21 LEU 527 HD21 LEU 527 0.616 8.323 -9.345 795 HD22 LEU 527 HD22 LEU 527 1.790 7.795 -10.549 796 HD23 LEU 527 HD23 LEU 527 0.111 7.258 -10.660 797 H LEU 528 H LEU 528 1.041 14.372 -10.245 798 HA LEU 528 HA LEU 528 3.891 14.636 -9.917 799 HB2 LEU 528 HB2 LEU 528 1.621 16.628 -9.893 800 HB3 LEU 528 HB3 LEU 528 3.289 17.094 -9.656 801 HG LEU 528 HG LEU 528 2.192 15.799 -12.160 802 HD11 LEU 528 HD11 LEU 528 2.546 17.991 -13.208 803 HD12 LEU 528 HD12 LEU 528 2.964 18.667 -11.635 804 HD13 LEU 528 HD13 LEU 528 1.336 18.058 -11.927 805 HD21 LEU 528 HD21 LEU 528 4.369 16.385 -13.127 806 HD22 LEU 528 HD22 LEU 528 4.524 15.246 -11.790 807 HD23 LEU 528 HD23 LEU 528 4.909 16.949 -11.546 808 H SER 529 H SER 529 1.680 13.592 -7.810 809 HA SER 529 HA SER 529 3.144 14.659 -5.501 810 HB2 SER 529 HB2 SER 529 1.116 14.926 -4.194 811 HB3 SER 529 HB3 SER 529 0.962 15.858 -5.682 812 HG SER 529 HG SER 529 -0.435 14.362 -6.480 813 H GLY 530 H GLY 530 0.846 12.172 -6.610 814 HA2 GLY 530 HA2 GLY 530 1.210 9.860 -6.505 815 HA3 GLY 530 HA3 GLY 530 2.487 10.122 -5.333 816 H ASP 531 H ASP 531 -0.177 11.889 -4.405 817 HA ASP 531 HA ASP 531 -1.155 9.730 -2.675 818 HB2 ASP 531 HB2 ASP 531 -0.545 12.605 -1.981 819 HB3 ASP 531 HB3 ASP 531 -1.560 11.582 -0.973 820 H GLU 532 H GLU 532 -1.983 11.796 -5.089 821 HA GLU 532 HA GLU 532 -4.773 12.020 -4.259 822 HB2 GLU 532 HB2 GLU 532 -3.108 13.775 -6.034 823 HB3 GLU 532 HB3 GLU 532 -4.833 13.944 -5.862 824 HG2 GLU 532 HG2 GLU 532 -4.416 14.246 -3.392 825 HG3 GLU 532 HG3 GLU 532 -2.709 14.375 -3.797 826 H ASP 533 H ASP 533 -2.853 10.300 -6.218 827 HA ASP 533 HA ASP 533 -4.556 10.313 -8.587 828 HB2 ASP 533 HB2 ASP 533 -2.078 10.392 -8.834 829 HB3 ASP 533 HB3 ASP 533 -1.976 8.797 -8.101 830 H PHE 534 H PHE 534 -3.326 7.882 -6.237 831 HA PHE 534 HA PHE 534 -5.262 5.963 -7.232 832 HB2 PHE 534 HB2 PHE 534 -3.049 5.721 -5.198 833 HB3 PHE 534 HB3 PHE 534 -4.208 4.434 -5.474 834 HD1 PHE 534 HD1 PHE 534 -1.410 6.321 -6.935 835 HD2 PHE 534 HD2 PHE 534 -4.068 3.030 -7.401 836 HE1 PHE 534 HE1 PHE 534 -0.007 5.444 -8.759 837 HE2 PHE 534 HE2 PHE 534 -2.689 2.151 -9.213 838 HZ PHE 534 HZ PHE 534 -0.639 3.356 -9.896 839 H SER 535 H SER 535 -5.173 8.365 -4.923 840 HA SER 535 HA SER 535 -6.843 7.316 -2.879 841 HB2 SER 535 HB2 SER 535 -7.054 9.591 -2.114 842 HB3 SER 535 HB3 SER 535 -5.400 9.368 -2.681 843 HG SER 535 HG SER 535 -7.389 10.996 -3.647 844 H SER 536 H SER 536 -7.465 8.610 -6.032 845 HA SER 536 HA SER 536 -10.298 8.979 -5.701 846 HB2 SER 536 HB2 SER 536 -10.296 9.290 -8.154 847 HB3 SER 536 HB3 SER 536 -9.034 10.252 -7.388 848 HG SER 536 HG SER 536 -8.623 8.751 -9.363 849 H ILE 537 H ILE 537 -8.158 6.409 -6.592 850 HA ILE 537 HA ILE 537 -10.265 4.665 -7.553 851 HB ILE 537 HB ILE 537 -7.293 4.219 -7.194 852 HG12 ILE 537 HG12 ILE 537 -8.855 4.384 -9.787 853 HG13 ILE 537 HG13 ILE 537 -8.033 5.754 -9.064 854 HG21 ILE 537 HG21 ILE 537 -8.397 2.082 -6.882 855 HG22 ILE 537 HG22 ILE 537 -7.519 2.103 -8.411 856 HG23 ILE 537 HG23 ILE 537 -9.276 2.289 -8.399 857 HD11 ILE 537 HD11 ILE 537 -6.711 4.835 -10.864 858 HD12 ILE 537 HD12 ILE 537 -6.740 3.239 -10.117 859 HD13 ILE 537 HD13 ILE 537 -5.883 4.564 -9.331 860 H ALA 538 H ALA 538 -8.424 5.169 -4.609 861 HA ALA 538 HA ALA 538 -9.103 2.603 -3.524 862 HB1 ALA 538 HB1 ALA 538 -7.808 3.237 -1.581 863 HB2 ALA 538 HB2 ALA 538 -7.749 4.907 -2.146 864 HB3 ALA 538 HB3 ALA 538 -6.923 3.639 -3.053 865 H ASP 539 H ASP 539 -10.636 5.536 -3.645 866 HA ASP 539 HA ASP 539 -12.348 4.941 -1.338 867 HB2 ASP 539 HB2 ASP 539 -12.099 7.446 -3.024 868 HB3 ASP 539 HB3 ASP 539 -13.280 7.248 -1.735 869 H MET 540 H MET 540 -12.143 4.601 -4.668 870 HA MET 540 HA MET 540 -15.006 4.235 -5.097 871 HB2 MET 540 HB2 MET 540 -12.594 4.041 -6.894 872 HB3 MET 540 HB3 MET 540 -14.204 3.574 -7.419 873 HG2 MET 540 HG2 MET 540 -13.449 6.316 -6.429 874 HG3 MET 540 HG3 MET 540 -13.548 5.852 -8.124 875 HE1 MET 540 HE1 MET 540 -16.036 4.141 -8.505 876 HE2 MET 540 HE2 MET 540 -15.852 5.603 -9.476 877 HE3 MET 540 HE3 MET 540 -17.376 5.278 -8.650 878 H ASP 541 H ASP 541 -12.109 2.435 -4.494 879 HA ASP 541 HA ASP 541 -13.275 -0.122 -5.231 880 HB2 ASP 541 HB2 ASP 541 -10.539 0.804 -4.437 881 HB3 ASP 541 HB3 ASP 541 -10.947 -0.903 -4.361 882 H PHE 542 H PHE 542 -12.849 1.810 -2.386 883 HA PHE 542 HA PHE 542 -12.884 -0.309 -0.457 884 HB2 PHE 542 HB2 PHE 542 -12.001 1.955 0.022 885 HB3 PHE 542 HB3 PHE 542 -13.624 2.611 -0.130 886 HD1 PHE 542 HD1 PHE 542 -11.713 0.064 1.826 887 HD2 PHE 542 HD2 PHE 542 -14.894 2.896 1.768 888 HE1 PHE 542 HE1 PHE 542 -12.110 -0.336 4.222 889 HE2 PHE 542 HE2 PHE 542 -15.293 2.502 4.161 890 HZ PHE 542 HZ PHE 542 -13.900 0.886 5.393 891 H SER 543 H SER 543 -15.329 1.521 -2.159 892 HA SER 543 HA SER 543 -17.553 0.508 -0.616 893 HB2 SER 543 HB2 SER 543 -18.942 1.677 -2.273 894 HB3 SER 543 HB3 SER 543 -17.660 2.725 -1.673 895 HG SER 543 HG SER 543 -17.374 1.217 -4.047 896 H ALA 544 H ALA 544 -15.723 -0.482 -3.386 897 HA ALA 544 HA ALA 544 -17.690 -2.303 -4.454 898 HB1 ALA 544 HB1 ALA 544 -16.037 -1.233 -5.912 899 HB2 ALA 544 HB2 ALA 544 -15.924 -2.991 -5.987 900 HB3 ALA 544 HB3 ALA 544 -14.742 -2.070 -5.056 901 H LEU 545 H LEU 545 -14.949 -2.492 -2.268 902 HA LEU 545 HA LEU 545 -15.025 -5.358 -2.007 903 HB2 LEU 545 HB2 LEU 545 -13.604 -3.196 -0.466 904 HB3 LEU 545 HB3 LEU 545 -13.418 -4.898 -0.145 905 HG LEU 545 HG LEU 545 -12.685 -3.582 -2.751 906 HD11 LEU 545 HD11 LEU 545 -10.972 -4.441 -0.429 907 HD12 LEU 545 HD12 LEU 545 -11.194 -2.797 -1.032 908 HD13 LEU 545 HD13 LEU 545 -10.357 -3.993 -2.017 909 HD21 LEU 545 HD21 LEU 545 -11.494 -5.698 -3.185 910 HD22 LEU 545 HD22 LEU 545 -13.237 -5.927 -3.047 911 HD23 LEU 545 HD23 LEU 545 -12.180 -6.368 -1.706 912 H LEU 546 H LEU 546 -16.660 -2.683 -0.653 913 HA LEU 546 HA LEU 546 -17.472 -4.005 1.797 914 HB2 LEU 546 HB2 LEU 546 -17.861 -1.299 0.577 915 HB3 LEU 546 HB3 LEU 546 -18.958 -1.819 1.825 916 HG LEU 546 HG LEU 546 -15.978 -1.528 2.141 917 HD11 LEU 546 HD11 LEU 546 -18.259 0.163 3.138 918 HD12 LEU 546 HD12 LEU 546 -17.033 0.629 1.961 919 HD13 LEU 546 HD13 LEU 546 -16.579 0.341 3.638 920 HD21 LEU 546 HD21 LEU 546 -16.857 -3.302 3.545 921 HD22 LEU 546 HD22 LEU 546 -18.107 -2.220 4.158 922 HD23 LEU 546 HD23 LEU 546 -16.410 -1.903 4.521 923 H SER 547 H SER 547 -18.689 -3.433 -1.403 924 HA SER 547 HA SER 547 -21.438 -4.047 -0.862 925 HB2 SER 547 HB2 SER 547 -21.721 -3.941 -3.292 926 HB3 SER 547 HB3 SER 547 -20.760 -2.577 -2.726 927 HG SER 547 HG SER 547 -18.959 -3.477 -3.575 928 H GLN 548 H GLN 548 -18.630 -5.960 -1.450 929 HA GLN 548 HA GLN 548 -20.139 -8.219 -2.456 930 HB2 GLN 548 HB2 GLN 548 -17.180 -7.869 -2.081 931 HB3 GLN 548 HB3 GLN 548 -17.923 -9.332 -2.707 932 HG2 GLN 548 HG2 GLN 548 -18.068 -6.607 -3.965 933 HG3 GLN 548 HG3 GLN 548 -17.007 -7.919 -4.456 934 HE21 GLN 548 HE21 GLN 548 -18.673 -10.069 -4.361 935 HE22 GLN 548 HE22 GLN 548 -19.930 -9.902 -5.534 936 H ILE 549 H ILE 549 -19.156 -7.086 0.529 937 HA ILE 549 HA ILE 549 -19.211 -9.764 1.739 938 HB ILE 549 HB ILE 549 -18.228 -7.208 3.021 939 HG12 ILE 549 HG12 ILE 549 -16.499 -9.554 2.215 940 HG13 ILE 549 HG13 ILE 549 -16.822 -8.235 1.098 941 HG21 ILE 549 HG21 ILE 549 -18.195 -10.062 3.998 942 HG22 ILE 549 HG22 ILE 549 -19.123 -8.721 4.668 943 HG23 ILE 549 HG23 ILE 549 -17.362 -8.720 4.782 944 HD11 ILE 549 HD11 ILE 549 -15.795 -6.661 2.662 945 HD12 ILE 549 HD12 ILE 549 -14.681 -7.952 2.215 946 HD13 ILE 549 HD13 ILE 549 -15.480 -7.984 3.785 947 H SER 550 H SER 550 -20.874 -6.694 1.709 948 HA SER 550 HA SER 550 -22.695 -7.616 3.827 949 HB2 SER 550 HB2 SER 550 -23.412 -5.283 4.032 950 HB3 SER 550 HB3 SER 550 -21.660 -5.401 4.186 951 HG SER 550 HG SER 550 -23.175 -4.487 1.982 952 H SER 551 H SER 551 -22.634 -6.333 0.523 953 HA SER 551 HA SER 551 -24.106 -6.300 -1.193 954 HB2 SER 551 HB2 SER 551 -25.303 -8.724 0.177 955 HB3 SER 551 HB3 SER 551 -25.593 -8.240 -1.494 956 HG SER 551 HG SER 551 -23.906 -9.883 -1.090 Start of MODEL 19 1 H1 GLY 586 H1 GLY 586 25.536 0.805 -6.346 2 H2 GLY 586 H2 GLY 586 25.445 0.532 -4.680 3 H3 GLY 586 H3 GLY 586 25.456 -0.777 -5.752 4 HA2 GLY 586 HA2 GLY 586 27.707 -0.234 -6.446 5 HA3 GLY 586 HA3 GLY 586 27.696 1.128 -5.335 6 H VAL 587 H VAL 587 27.579 0.697 -3.053 7 HA VAL 587 HA VAL 587 29.035 -1.726 -2.329 8 HB VAL 587 HB VAL 587 28.363 0.716 -0.656 9 HG11 VAL 587 HG11 VAL 587 30.193 -1.593 0.007 10 HG12 VAL 587 HG12 VAL 587 28.635 -1.259 0.760 11 HG13 VAL 587 HG13 VAL 587 29.977 -0.136 0.976 12 HG21 VAL 587 HG21 VAL 587 30.974 -0.112 -1.924 13 HG22 VAL 587 HG22 VAL 587 30.740 1.280 -0.867 14 HG23 VAL 587 HG23 VAL 587 29.948 1.226 -2.442 15 H ARG 588 H ARG 588 28.272 -3.322 -1.031 16 HA ARG 588 HA ARG 588 25.386 -3.438 -0.643 17 HB2 ARG 588 HB2 ARG 588 27.518 -5.564 -0.347 18 HB3 ARG 588 HB3 ARG 588 25.796 -5.839 -0.122 19 HG2 ARG 588 HG2 ARG 588 25.376 -5.276 -2.449 20 HG3 ARG 588 HG3 ARG 588 27.087 -4.924 -2.689 21 HD2 ARG 588 HD2 ARG 588 26.020 -7.612 -1.831 22 HD3 ARG 588 HD3 ARG 588 26.353 -7.176 -3.506 23 HE ARG 588 HE ARG 588 28.696 -6.654 -2.245 24 HH11 ARG 588 HH11 ARG 588 26.672 -9.524 -2.372 25 HH12 ARG 588 HH12 ARG 588 28.006 -10.611 -2.176 26 HH21 ARG 588 HH21 ARG 588 30.424 -8.096 -1.992 27 HH22 ARG 588 HH22 ARG 588 30.126 -9.802 -1.961 28 H LYS 589 H LYS 589 24.364 -3.512 1.275 29 HA LYS 589 HA LYS 589 26.004 -3.277 3.708 30 HB2 LYS 589 HB2 LYS 589 23.378 -1.999 2.979 31 HB3 LYS 589 HB3 LYS 589 23.926 -2.092 4.645 32 HG2 LYS 589 HG2 LYS 589 25.923 -0.784 4.041 33 HG3 LYS 589 HG3 LYS 589 25.342 -0.683 2.380 34 HD2 LYS 589 HD2 LYS 589 23.388 0.566 3.110 35 HD3 LYS 589 HD3 LYS 589 23.874 0.387 4.796 36 HE2 LYS 589 HE2 LYS 589 24.468 2.594 4.036 37 HE3 LYS 589 HE3 LYS 589 25.938 1.658 4.296 38 HZ1 LYS 589 HZ1 LYS 589 26.053 2.924 2.247 39 HZ2 LYS 589 HZ2 LYS 589 24.655 2.172 1.666 40 HZ3 LYS 589 HZ3 LYS 589 26.062 1.266 1.910 41 H GLY 590 H GLY 590 24.205 -3.701 5.704 42 HA2 GLY 590 HA2 GLY 590 24.054 -6.514 5.811 43 HA3 GLY 590 HA3 GLY 590 23.309 -5.411 6.951 44 H TRP 591 H TRP 591 21.587 -4.133 4.992 45 HA TRP 591 HA TRP 591 19.342 -5.882 5.179 46 HB2 TRP 591 HB2 TRP 591 18.087 -4.089 4.153 47 HB3 TRP 591 HB3 TRP 591 19.172 -3.427 5.361 48 HD1 TRP 591 HD1 TRP 591 21.038 -1.720 4.525 49 HE1 TRP 591 HE1 TRP 591 21.408 -0.485 2.296 50 HE3 TRP 591 HE3 TRP 591 17.800 -4.370 1.568 51 HZ2 TRP 591 HZ2 TRP 591 20.443 -0.610 -0.359 52 HZ3 TRP 591 HZ3 TRP 591 17.584 -3.743 -0.797 53 HH2 TRP 591 HH2 TRP 591 18.878 -1.901 -1.740 54 H HIS 592 H HIS 592 21.547 -5.064 2.591 55 HA HIS 592 HA HIS 592 20.042 -5.912 0.373 56 HB2 HIS 592 HB2 HIS 592 22.042 -4.473 0.226 57 HB3 HIS 592 HB3 HIS 592 23.054 -5.817 0.729 58 HD1 HIS 592 HD1 HIS 592 23.551 -7.654 -1.035 59 HD2 HIS 592 HD2 HIS 592 21.258 -4.496 -2.469 60 HE1 HIS 592 HE1 HIS 592 23.540 -7.911 -3.538 61 HE2 HIS 592 HE2 HIS 592 22.088 -6.032 -4.378 62 H GLU 593 H GLU 593 22.209 -7.720 2.519 63 HA GLU 593 HA GLU 593 21.914 -10.171 0.991 64 HB2 GLU 593 HB2 GLU 593 23.420 -9.575 3.546 65 HB3 GLU 593 HB3 GLU 593 23.508 -11.070 2.631 66 HG2 GLU 593 HG2 GLU 593 24.381 -8.368 1.715 67 HG3 GLU 593 HG3 GLU 593 25.437 -9.692 2.190 68 H HIS 594 H HIS 594 20.119 -8.546 3.240 69 HA HIS 594 HA HIS 594 19.175 -10.943 4.649 70 HB2 HIS 594 HB2 HIS 594 19.472 -8.084 5.355 71 HB3 HIS 594 HB3 HIS 594 18.027 -8.859 5.969 72 HD1 HIS 594 HD1 HIS 594 18.336 -10.604 7.862 73 HD2 HIS 594 HD2 HIS 594 21.875 -8.919 6.480 74 HE1 HIS 594 HE1 HIS 594 20.096 -11.283 9.529 75 HE2 HIS 594 HE2 HIS 594 22.249 -10.337 8.620 76 H VAL 595 H VAL 595 18.167 -8.463 2.392 77 HA VAL 595 HA VAL 595 15.347 -8.933 2.745 78 HB VAL 595 HB VAL 595 16.907 -7.296 0.724 79 HG11 VAL 595 HG11 VAL 595 14.786 -6.449 -0.184 80 HG12 VAL 595 HG12 VAL 595 13.899 -7.621 0.787 81 HG13 VAL 595 HG13 VAL 595 14.972 -8.175 -0.496 82 HG21 VAL 595 HG21 VAL 595 16.618 -6.412 3.017 83 HG22 VAL 595 HG22 VAL 595 14.864 -6.485 2.790 84 HG23 VAL 595 HG23 VAL 595 15.842 -5.412 1.787 85 H THR 596 H THR 596 14.090 -10.351 1.736 86 HA THR 596 HA THR 596 15.303 -12.118 -0.289 87 HB THR 596 HB THR 596 13.683 -13.837 0.439 88 HG1 THR 596 HG1 THR 596 12.961 -11.863 2.362 89 HG21 THR 596 HG21 THR 596 15.895 -13.817 1.471 90 HG22 THR 596 HG22 THR 596 14.664 -14.354 2.614 91 HG23 THR 596 HG23 THR 596 15.308 -12.716 2.718 92 H GLN 597 H GLN 597 13.385 -13.355 -1.487 93 HA GLN 597 HA GLN 597 11.667 -11.462 -2.812 94 HB2 GLN 597 HB2 GLN 597 11.786 -14.492 -2.952 95 HB3 GLN 597 HB3 GLN 597 10.722 -13.502 -3.932 96 HG2 GLN 597 HG2 GLN 597 12.653 -12.448 -4.985 97 HG3 GLN 597 HG3 GLN 597 13.722 -13.434 -3.999 98 HE21 GLN 597 HE21 GLN 597 11.103 -15.288 -4.709 99 HE22 GLN 597 HE22 GLN 597 11.679 -16.088 -6.127 100 H ASP 598 H ASP 598 11.532 -13.364 0.024 101 HA ASP 598 HA ASP 598 8.676 -13.624 0.201 102 HB2 ASP 598 HB2 ASP 598 10.874 -14.001 2.245 103 HB3 ASP 598 HB3 ASP 598 9.177 -14.327 2.556 104 H LEU 599 H LEU 599 11.088 -11.278 1.350 105 HA LEU 599 HA LEU 599 9.392 -9.792 3.028 106 HB2 LEU 599 HB2 LEU 599 11.806 -9.460 3.024 107 HB3 LEU 599 HB3 LEU 599 11.751 -8.826 1.395 108 HG LEU 599 HG LEU 599 10.483 -6.866 2.206 109 HD11 LEU 599 HD11 LEU 599 10.103 -6.507 4.534 110 HD12 LEU 599 HD12 LEU 599 11.014 -7.960 4.961 111 HD13 LEU 599 HD13 LEU 599 9.470 -8.098 4.128 112 HD21 LEU 599 HD21 LEU 599 13.090 -7.455 3.601 113 HD22 LEU 599 HD22 LEU 599 12.279 -5.895 3.696 114 HD23 LEU 599 HD23 LEU 599 12.839 -6.496 2.139 115 H ARG 600 H ARG 600 9.997 -9.477 -0.467 116 HA ARG 600 HA ARG 600 8.509 -7.097 -0.800 117 HB2 ARG 600 HB2 ARG 600 9.376 -9.210 -2.778 118 HB3 ARG 600 HB3 ARG 600 8.490 -7.776 -3.263 119 HG2 ARG 600 HG2 ARG 600 10.298 -6.357 -2.501 120 HG3 ARG 600 HG3 ARG 600 11.181 -7.763 -1.907 121 HD2 ARG 600 HD2 ARG 600 11.290 -8.649 -4.194 122 HD3 ARG 600 HD3 ARG 600 10.429 -7.226 -4.781 123 HE ARG 600 HE ARG 600 12.657 -6.304 -3.414 124 HH11 ARG 600 HH11 ARG 600 12.048 -8.237 -6.286 125 HH12 ARG 600 HH12 ARG 600 13.525 -7.761 -7.057 126 HH21 ARG 600 HH21 ARG 600 14.583 -5.698 -4.445 127 HH22 ARG 600 HH22 ARG 600 14.957 -6.326 -6.015 128 H SER 601 H SER 601 7.535 -10.420 -0.604 129 HA SER 601 HA SER 601 4.862 -9.968 -1.629 130 HB2 SER 601 HB2 SER 601 4.500 -12.318 -1.209 131 HB3 SER 601 HB3 SER 601 6.111 -12.144 -1.895 132 HG SER 601 HG SER 601 6.421 -13.432 -0.177 133 H HIS 602 H HIS 602 6.470 -10.126 1.485 134 HA HIS 602 HA HIS 602 4.041 -10.219 3.050 135 HB2 HIS 602 HB2 HIS 602 6.951 -9.808 3.785 136 HB3 HIS 602 HB3 HIS 602 5.653 -9.832 4.968 137 HD1 HIS 602 HD1 HIS 602 7.841 -11.894 5.240 138 HD2 HIS 602 HD2 HIS 602 4.391 -12.543 3.016 139 HE1 HIS 602 HE1 HIS 602 7.585 -14.393 5.113 140 HE2 HIS 602 HE2 HIS 602 5.530 -14.763 3.700 141 H LEU 603 H LEU 603 5.979 -7.795 1.607 142 HA LEU 603 HA LEU 603 5.066 -5.609 3.264 143 HB2 LEU 603 HB2 LEU 603 6.716 -5.802 0.786 144 HB3 LEU 603 HB3 LEU 603 6.192 -4.264 1.425 145 HG LEU 603 HG LEU 603 7.967 -6.270 2.852 146 HD11 LEU 603 HD11 LEU 603 8.583 -3.558 1.791 147 HD12 LEU 603 HD12 LEU 603 8.977 -5.071 0.961 148 HD13 LEU 603 HD13 LEU 603 9.714 -4.699 2.529 149 HD21 LEU 603 HD21 LEU 603 7.053 -3.536 3.713 150 HD22 LEU 603 HD22 LEU 603 8.396 -4.419 4.444 151 HD23 LEU 603 HD23 LEU 603 6.755 -5.069 4.539 152 H VAL 604 H VAL 604 4.413 -6.899 0.046 153 HA VAL 604 HA VAL 604 2.264 -5.201 -0.681 154 HB VAL 604 HB VAL 604 3.325 -7.865 -1.570 155 HG11 VAL 604 HG11 VAL 604 0.841 -8.118 -1.597 156 HG12 VAL 604 HG12 VAL 604 1.600 -8.213 -3.185 157 HG13 VAL 604 HG13 VAL 604 0.773 -6.743 -2.695 158 HG21 VAL 604 HG21 VAL 604 3.675 -6.743 -3.630 159 HG22 VAL 604 HG22 VAL 604 4.193 -5.635 -2.346 160 HG23 VAL 604 HG23 VAL 604 2.629 -5.404 -3.145 161 H HIS 605 H HIS 605 2.511 -8.122 1.273 162 HA HIS 605 HA HIS 605 -0.328 -8.377 1.729 163 HB2 HIS 605 HB2 HIS 605 1.338 -10.287 1.816 164 HB3 HIS 605 HB3 HIS 605 1.937 -9.605 3.319 165 HD1 HIS 605 HD1 HIS 605 -1.358 -10.888 1.915 166 HD2 HIS 605 HD2 HIS 605 0.690 -10.601 5.523 167 HE1 HIS 605 HE1 HIS 605 -2.809 -12.051 3.608 168 HE2 HIS 605 HE2 HIS 605 -1.529 -11.907 5.774 169 H LYS 606 H LYS 606 2.250 -6.514 2.963 170 HA LYS 606 HA LYS 606 0.996 -5.739 5.473 171 HB2 LYS 606 HB2 LYS 606 3.548 -5.314 4.090 172 HB3 LYS 606 HB3 LYS 606 2.927 -3.841 4.819 173 HG2 LYS 606 HG2 LYS 606 2.673 -5.310 6.946 174 HG3 LYS 606 HG3 LYS 606 3.841 -6.355 6.133 175 HD2 LYS 606 HD2 LYS 606 5.390 -4.476 5.921 176 HD3 LYS 606 HD3 LYS 606 4.229 -3.411 6.702 177 HE2 LYS 606 HE2 LYS 606 4.332 -4.829 8.716 178 HE3 LYS 606 HE3 LYS 606 5.552 -5.805 7.918 179 HZ1 LYS 606 HZ1 LYS 606 6.986 -3.865 7.796 180 HZ2 LYS 606 HZ2 LYS 606 6.563 -4.203 9.400 181 HZ3 LYS 606 HZ3 LYS 606 5.811 -2.929 8.579 182 H LEU 607 H LEU 607 0.920 -4.913 2.178 183 HA LEU 607 HA LEU 607 0.052 -2.172 2.456 184 HB2 LEU 607 HB2 LEU 607 1.088 -3.950 0.432 185 HB3 LEU 607 HB3 LEU 607 -0.267 -3.069 -0.195 186 HG LEU 607 HG LEU 607 1.960 -1.542 1.068 187 HD11 LEU 607 HD11 LEU 607 3.508 -1.752 -0.475 188 HD12 LEU 607 HD12 LEU 607 2.334 -1.858 -1.791 189 HD13 LEU 607 HD13 LEU 607 2.720 -3.290 -0.841 190 HD21 LEU 607 HD21 LEU 607 1.355 0.074 -0.665 191 HD22 LEU 607 HD22 LEU 607 0.063 -0.333 0.467 192 HD23 LEU 607 HD23 LEU 607 0.061 -1.019 -1.160 193 H VAL 608 H VAL 608 -1.316 -5.194 1.107 194 HA VAL 608 HA VAL 608 -3.800 -4.078 0.349 195 HB VAL 608 HB VAL 608 -2.972 -6.971 0.763 196 HG11 VAL 608 HG11 VAL 608 -5.532 -5.930 -0.462 197 HG12 VAL 608 HG12 VAL 608 -5.384 -6.871 1.023 198 HG13 VAL 608 HG13 VAL 608 -4.978 -7.604 -0.529 199 HG21 VAL 608 HG21 VAL 608 -3.414 -5.380 -1.770 200 HG22 VAL 608 HG22 VAL 608 -2.892 -7.062 -1.665 201 HG23 VAL 608 HG23 VAL 608 -1.844 -5.775 -1.068 202 H GLN 609 H GLN 609 -2.723 -5.491 3.388 203 HA GLN 609 HA GLN 609 -5.354 -5.801 4.502 204 HB2 GLN 609 HB2 GLN 609 -2.580 -5.923 5.686 205 HB3 GLN 609 HB3 GLN 609 -4.035 -6.155 6.626 206 HG2 GLN 609 HG2 GLN 609 -3.068 -7.857 4.356 207 HG3 GLN 609 HG3 GLN 609 -3.116 -8.269 6.070 208 HE21 GLN 609 HE21 GLN 609 -4.494 -9.055 3.337 209 HE22 GLN 609 HE22 GLN 609 -6.125 -9.348 3.830 210 H ALA 610 H ALA 610 -2.760 -3.461 4.571 211 HA ALA 610 HA ALA 610 -3.892 -1.743 6.557 212 HB1 ALA 610 HB1 ALA 610 -1.529 -1.711 6.126 213 HB2 ALA 610 HB2 ALA 610 -2.207 -0.128 5.739 214 HB3 ALA 610 HB3 ALA 610 -1.806 -1.258 4.444 215 H ILE 611 H ILE 611 -4.082 -1.898 3.032 216 HA ILE 611 HA ILE 611 -5.483 0.606 2.766 217 HB ILE 611 HB ILE 611 -4.863 -1.594 0.771 218 HG12 ILE 611 HG12 ILE 611 -3.928 1.275 0.921 219 HG13 ILE 611 HG13 ILE 611 -3.028 -0.076 1.569 220 HG21 ILE 611 HG21 ILE 611 -6.365 0.980 0.311 221 HG22 ILE 611 HG22 ILE 611 -6.963 -0.657 0.052 222 HG23 ILE 611 HG23 ILE 611 -5.683 -0.010 -0.974 223 HD11 ILE 611 HD11 ILE 611 -2.086 0.550 -0.546 224 HD12 ILE 611 HD12 ILE 611 -3.662 0.458 -1.320 225 HD13 ILE 611 HD13 ILE 611 -2.884 -1.014 -0.731 226 H PHE 612 H PHE 612 -6.439 -2.830 2.267 227 HA PHE 612 HA PHE 612 -9.030 -2.178 3.449 228 HB2 PHE 612 HB2 PHE 612 -9.430 -2.183 1.038 229 HB3 PHE 612 HB3 PHE 612 -8.652 -3.751 0.880 230 HD1 PHE 612 HD1 PHE 612 -11.621 -2.009 2.225 231 HD2 PHE 612 HD2 PHE 612 -9.830 -5.744 1.272 232 HE1 PHE 612 HE1 PHE 612 -13.789 -3.129 2.568 233 HE2 PHE 612 HE2 PHE 612 -11.994 -6.877 1.605 234 HZ PHE 612 HZ PHE 612 -14.015 -5.509 2.188 235 HA PRO 613 HA PRO 613 -7.587 -5.940 5.690 236 HB2 PRO 613 HB2 PRO 613 -9.325 -5.704 7.764 237 HB3 PRO 613 HB3 PRO 613 -7.789 -4.842 7.707 238 HG2 PRO 613 HG2 PRO 613 -10.466 -3.847 7.059 239 HG3 PRO 613 HG3 PRO 613 -9.291 -3.112 7.923 240 HD2 PRO 613 HD2 PRO 613 -9.618 -2.483 5.371 241 HD3 PRO 613 HD3 PRO 613 -8.115 -2.490 6.011 242 H THR 614 H THR 614 -8.381 -7.965 5.449 243 HA THR 614 HA THR 614 -11.071 -8.215 4.339 244 HB THR 614 HB THR 614 -10.362 -10.431 3.528 245 HG1 THR 614 HG1 THR 614 -8.389 -11.186 3.895 246 HG21 THR 614 HG21 THR 614 -8.702 -8.080 2.638 247 HG22 THR 614 HG22 THR 614 -10.290 -8.559 2.029 248 HG23 THR 614 HG23 THR 614 -8.886 -9.585 1.734 249 HA PRO 615 HA PRO 615 -12.375 -10.413 8.152 250 HB2 PRO 615 HB2 PRO 615 -14.805 -10.329 6.445 251 HB3 PRO 615 HB3 PRO 615 -14.661 -10.083 8.169 252 HG2 PRO 615 HG2 PRO 615 -14.971 -8.001 6.734 253 HG3 PRO 615 HG3 PRO 615 -13.751 -7.946 7.818 254 HD2 PRO 615 HD2 PRO 615 -13.416 -8.672 4.904 255 HD3 PRO 615 HD3 PRO 615 -12.521 -7.551 5.685 256 H ASP 616 H ASP 616 -13.518 -11.130 4.889 257 HA ASP 616 HA ASP 616 -13.225 -14.021 5.380 258 HB2 ASP 616 HB2 ASP 616 -15.484 -13.113 4.683 259 HB3 ASP 616 HB3 ASP 616 -14.761 -12.712 3.130 260 HA PRO 617 HA PRO 617 -9.576 -13.899 2.680 261 HB2 PRO 617 HB2 PRO 617 -9.266 -16.593 2.463 262 HB3 PRO 617 HB3 PRO 617 -8.747 -15.676 3.881 263 HG2 PRO 617 HG2 PRO 617 -11.277 -17.144 3.517 264 HG3 PRO 617 HG3 PRO 617 -10.215 -17.278 4.751 265 HD2 PRO 617 HD2 PRO 617 -12.240 -15.645 5.137 266 HD3 PRO 617 HD3 PRO 617 -10.772 -15.087 5.584 267 H ALA 618 H ALA 618 -12.696 -15.094 1.947 268 HA ALA 618 HA ALA 618 -12.132 -16.175 -0.659 269 HB1 ALA 618 HB1 ALA 618 -13.997 -16.995 0.694 270 HB2 ALA 618 HB2 ALA 618 -14.550 -16.388 -0.868 271 HB3 ALA 618 HB3 ALA 618 -14.771 -15.414 0.586 272 H ALA 619 H ALA 619 -12.331 -13.027 0.487 273 HA ALA 619 HA ALA 619 -13.536 -11.819 -1.858 274 HB1 ALA 619 HB1 ALA 619 -12.135 -10.507 0.464 275 HB2 ALA 619 HB2 ALA 619 -13.862 -10.865 0.394 276 HB3 ALA 619 HB3 ALA 619 -13.150 -9.711 -0.737 277 H LEU 620 H LEU 620 -10.486 -13.016 -1.138 278 HA LEU 620 HA LEU 620 -8.912 -10.959 -2.380 279 HB2 LEU 620 HB2 LEU 620 -8.301 -13.664 -1.222 280 HB3 LEU 620 HB3 LEU 620 -7.088 -12.753 -2.083 281 HG LEU 620 HG LEU 620 -8.506 -11.753 0.393 282 HD11 LEU 620 HD11 LEU 620 -5.771 -12.993 0.099 283 HD12 LEU 620 HD12 LEU 620 -7.161 -13.715 0.912 284 HD13 LEU 620 HD13 LEU 620 -6.417 -12.255 1.566 285 HD21 LEU 620 HD21 LEU 620 -6.663 -10.115 0.461 286 HD22 LEU 620 HD22 LEU 620 -7.652 -9.941 -0.987 287 HD23 LEU 620 HD23 LEU 620 -6.076 -10.728 -1.084 288 H LYS 621 H LYS 621 -10.912 -13.160 -3.713 289 HA LYS 621 HA LYS 621 -9.175 -13.806 -5.998 290 HB2 LYS 621 HB2 LYS 621 -11.808 -15.004 -5.100 291 HB3 LYS 621 HB3 LYS 621 -10.980 -15.453 -6.578 292 HG2 LYS 621 HG2 LYS 621 -9.096 -16.308 -5.275 293 HG3 LYS 621 HG3 LYS 621 -9.897 -15.838 -3.783 294 HD2 LYS 621 HD2 LYS 621 -11.761 -17.387 -4.366 295 HD3 LYS 621 HD3 LYS 621 -10.822 -17.909 -5.761 296 HE2 LYS 621 HE2 LYS 621 -9.050 -18.644 -4.338 297 HE3 LYS 621 HE3 LYS 621 -9.903 -18.077 -2.908 298 HZ1 LYS 621 HZ1 LYS 621 -10.817 -20.234 -4.740 299 HZ2 LYS 621 HZ2 LYS 621 -11.662 -19.678 -3.386 300 HZ3 LYS 621 HZ3 LYS 621 -10.172 -20.457 -3.192 301 H ASP 622 H ASP 622 -10.773 -11.264 -5.250 302 HA ASP 622 HA ASP 622 -12.652 -11.020 -7.463 303 HB2 ASP 622 HB2 ASP 622 -11.951 -9.318 -5.074 304 HB3 ASP 622 HB3 ASP 622 -12.950 -8.687 -6.379 305 H ARG 623 H ARG 623 -12.553 -9.247 -8.957 306 HA ARG 623 HA ARG 623 -9.921 -8.942 -10.095 307 HB2 ARG 623 HB2 ARG 623 -12.577 -7.820 -11.017 308 HB3 ARG 623 HB3 ARG 623 -11.087 -7.805 -11.948 309 HG2 ARG 623 HG2 ARG 623 -12.175 -10.372 -10.960 310 HG3 ARG 623 HG3 ARG 623 -12.902 -9.622 -12.387 311 HD2 ARG 623 HD2 ARG 623 -11.280 -11.044 -13.285 312 HD3 ARG 623 HD3 ARG 623 -10.483 -9.474 -13.270 313 HE ARG 623 HE ARG 623 -8.970 -10.288 -11.764 314 HH11 ARG 623 HH11 ARG 623 -11.696 -12.504 -11.817 315 HH12 ARG 623 HH12 ARG 623 -10.921 -13.662 -10.788 316 HH21 ARG 623 HH21 ARG 623 -7.978 -11.817 -10.418 317 HH22 ARG 623 HH22 ARG 623 -8.818 -13.271 -9.998 318 H ARG 624 H ARG 624 -12.285 -6.973 -8.491 319 HA ARG 624 HA ARG 624 -11.080 -4.421 -8.927 320 HB2 ARG 624 HB2 ARG 624 -13.160 -5.460 -7.010 321 HB3 ARG 624 HB3 ARG 624 -12.595 -3.804 -6.914 322 HG2 ARG 624 HG2 ARG 624 -13.318 -3.529 -9.317 323 HG3 ARG 624 HG3 ARG 624 -14.066 -5.119 -9.193 324 HD2 ARG 624 HD2 ARG 624 -15.473 -4.295 -7.348 325 HD3 ARG 624 HD3 ARG 624 -14.737 -2.703 -7.503 326 HE ARG 624 HE ARG 624 -16.718 -3.901 -9.253 327 HH11 ARG 624 HH11 ARG 624 -14.395 -1.292 -8.858 328 HH12 ARG 624 HH12 ARG 624 -15.156 -0.285 -10.045 329 HH21 ARG 624 HH21 ARG 624 -17.691 -2.565 -10.803 330 HH22 ARG 624 HH22 ARG 624 -17.018 -1.006 -11.145 331 H MET 625 H MET 625 -10.401 -6.984 -6.724 332 HA MET 625 HA MET 625 -8.937 -5.399 -4.797 333 HB2 MET 625 HB2 MET 625 -10.117 -7.479 -4.155 334 HB3 MET 625 HB3 MET 625 -9.087 -8.393 -5.242 335 HG2 MET 625 HG2 MET 625 -8.262 -8.797 -3.081 336 HG3 MET 625 HG3 MET 625 -7.136 -7.661 -3.811 337 HE1 MET 625 HE1 MET 625 -10.169 -6.695 -0.478 338 HE2 MET 625 HE2 MET 625 -9.379 -8.260 -0.573 339 HE3 MET 625 HE3 MET 625 -10.475 -7.752 -1.857 340 H GLU 626 H GLU 626 -8.239 -7.466 -7.553 341 HA GLU 626 HA GLU 626 -5.457 -7.636 -7.340 342 HB2 GLU 626 HB2 GLU 626 -7.504 -8.437 -9.164 343 HB3 GLU 626 HB3 GLU 626 -6.211 -7.699 -10.089 344 HG2 GLU 626 HG2 GLU 626 -4.610 -9.280 -9.114 345 HG3 GLU 626 HG3 GLU 626 -5.907 -10.012 -8.176 346 H ASN 627 H ASN 627 -7.444 -4.993 -8.312 347 HA ASN 627 HA ASN 627 -5.685 -3.716 -10.148 348 HB2 ASN 627 HB2 ASN 627 -8.052 -2.698 -8.572 349 HB3 ASN 627 HB3 ASN 627 -7.148 -1.682 -9.686 350 HD21 ASN 627 HD21 ASN 627 -9.876 -2.254 -9.910 351 HD22 ASN 627 HD22 ASN 627 -10.129 -3.152 -11.364 352 H LEU 628 H LEU 628 -6.217 -3.254 -6.639 353 HA LEU 628 HA LEU 628 -4.164 -1.210 -6.594 354 HB2 LEU 628 HB2 LEU 628 -5.586 -2.272 -4.176 355 HB3 LEU 628 HB3 LEU 628 -4.714 -0.766 -4.329 356 HG LEU 628 HG LEU 628 -6.952 -0.837 -6.167 357 HD11 LEU 628 HD11 LEU 628 -7.703 -2.416 -4.285 358 HD12 LEU 628 HD12 LEU 628 -8.763 -1.058 -4.690 359 HD13 LEU 628 HD13 LEU 628 -7.721 -0.971 -3.271 360 HD21 LEU 628 HD21 LEU 628 -6.106 0.843 -3.819 361 HD22 LEU 628 HD22 LEU 628 -7.504 1.216 -4.831 362 HD23 LEU 628 HD23 LEU 628 -5.885 1.201 -5.537 363 H VAL 629 H VAL 629 -4.450 -4.592 -5.932 364 HA VAL 629 HA VAL 629 -2.040 -5.143 -4.625 365 HB VAL 629 HB VAL 629 -3.586 -6.642 -6.750 366 HG11 VAL 629 HG11 VAL 629 -1.276 -7.290 -7.123 367 HG12 VAL 629 HG12 VAL 629 -2.170 -8.622 -6.379 368 HG13 VAL 629 HG13 VAL 629 -1.073 -7.644 -5.404 369 HG21 VAL 629 HG21 VAL 629 -3.091 -7.181 -3.825 370 HG22 VAL 629 HG22 VAL 629 -4.047 -8.198 -4.903 371 HG23 VAL 629 HG23 VAL 629 -4.579 -6.556 -4.539 372 H ALA 630 H ALA 630 -2.741 -4.181 -7.890 373 HA ALA 630 HA ALA 630 -0.076 -4.502 -8.910 374 HB1 ALA 630 HB1 ALA 630 -1.940 -4.844 -10.370 375 HB2 ALA 630 HB2 ALA 630 -1.065 -3.412 -10.925 376 HB3 ALA 630 HB3 ALA 630 -2.577 -3.236 -10.021 377 H TYR 631 H TYR 631 -1.868 -2.035 -7.277 378 HA TYR 631 HA TYR 631 -0.087 0.141 -7.876 379 HB2 TYR 631 HB2 TYR 631 -2.191 -0.216 -5.713 380 HB3 TYR 631 HB3 TYR 631 -1.279 1.262 -5.956 381 HD1 TYR 631 HD1 TYR 631 -1.531 0.506 -9.167 382 HD2 TYR 631 HD2 TYR 631 -4.202 1.372 -5.948 383 HE1 TYR 631 HE1 TYR 631 -3.248 1.235 -10.773 384 HE2 TYR 631 HE2 TYR 631 -5.911 2.103 -7.557 385 HH TYR 631 HH TYR 631 -5.691 1.493 -10.882 386 H ALA 632 H ALA 632 -0.374 -2.304 -5.364 387 HA ALA 632 HA ALA 632 1.637 -1.138 -3.646 388 HB1 ALA 632 HB1 ALA 632 1.363 -3.256 -2.361 389 HB2 ALA 632 HB2 ALA 632 0.178 -3.768 -3.573 390 HB3 ALA 632 HB3 ALA 632 -0.135 -2.338 -2.594 391 H LYS 633 H LYS 633 1.430 -3.798 -5.968 392 HA LYS 633 HA LYS 633 3.650 -5.298 -5.334 393 HB2 LYS 633 HB2 LYS 633 1.859 -5.905 -6.939 394 HB3 LYS 633 HB3 LYS 633 2.540 -4.777 -8.096 395 HG2 LYS 633 HG2 LYS 633 3.140 -7.102 -8.598 396 HG3 LYS 633 HG3 LYS 633 4.553 -6.108 -8.263 397 HD2 LYS 633 HD2 LYS 633 4.766 -7.025 -6.061 398 HD3 LYS 633 HD3 LYS 633 3.237 -7.875 -6.222 399 HE2 LYS 633 HE2 LYS 633 4.179 -9.296 -7.953 400 HE3 LYS 633 HE3 LYS 633 5.687 -8.384 -7.909 401 HZ1 LYS 633 HZ1 LYS 633 6.035 -9.136 -5.638 402 HZ2 LYS 633 HZ2 LYS 633 5.867 -10.456 -6.681 403 HZ3 LYS 633 HZ3 LYS 633 4.584 -10.007 -5.676 404 H LYS 634 H LYS 634 3.589 -2.213 -6.947 405 HA LYS 634 HA LYS 634 6.196 -2.446 -8.145 406 HB2 LYS 634 HB2 LYS 634 4.527 -1.153 -9.314 407 HB3 LYS 634 HB3 LYS 634 4.284 -0.142 -7.912 408 HG2 LYS 634 HG2 LYS 634 5.554 1.065 -9.543 409 HG3 LYS 634 HG3 LYS 634 6.556 0.710 -8.134 410 HD2 LYS 634 HD2 LYS 634 7.594 -1.160 -9.336 411 HD3 LYS 634 HD3 LYS 634 6.576 -0.834 -10.737 412 HE2 LYS 634 HE2 LYS 634 7.629 1.434 -10.872 413 HE3 LYS 634 HE3 LYS 634 8.745 0.937 -9.602 414 HZ1 LYS 634 HZ1 LYS 634 9.716 0.657 -11.791 415 HZ2 LYS 634 HZ2 LYS 634 8.448 -0.363 -12.258 416 HZ3 LYS 634 HZ3 LYS 634 9.520 -0.846 -11.040 417 H VAL 635 H VAL 635 4.787 -1.088 -5.241 418 HA VAL 635 HA VAL 635 6.675 1.020 -4.982 419 HB VAL 635 HB VAL 635 5.540 1.698 -2.990 420 HG11 VAL 635 HG11 VAL 635 4.368 2.311 -4.942 421 HG12 VAL 635 HG12 VAL 635 3.150 1.733 -3.801 422 HG13 VAL 635 HG13 VAL 635 3.679 0.695 -5.135 423 HG21 VAL 635 HG21 VAL 635 5.292 -0.542 -1.926 424 HG22 VAL 635 HG22 VAL 635 3.922 -0.858 -2.999 425 HG23 VAL 635 HG23 VAL 635 3.850 0.469 -1.831 426 H GLU 636 H GLU 636 6.744 -2.255 -3.875 427 HA GLU 636 HA GLU 636 8.490 -1.957 -1.630 428 HB2 GLU 636 HB2 GLU 636 8.858 -4.340 -1.776 429 HB3 GLU 636 HB3 GLU 636 7.160 -4.019 -2.061 430 HG2 GLU 636 HG2 GLU 636 8.119 -4.084 -4.602 431 HG3 GLU 636 HG3 GLU 636 9.172 -5.247 -3.816 432 H GLY 637 H GLY 637 9.040 -2.523 -5.097 433 HA2 GLY 637 HA2 GLY 637 11.876 -2.954 -4.826 434 HA3 GLY 637 HA3 GLY 637 10.976 -2.839 -6.327 435 H ASP 638 H ASP 638 9.867 -0.173 -5.348 436 HA ASP 638 HA ASP 638 11.958 1.505 -6.402 437 HB2 ASP 638 HB2 ASP 638 9.197 2.113 -5.337 438 HB3 ASP 638 HB3 ASP 638 10.296 3.361 -5.912 439 H MET 639 H MET 639 10.995 0.464 -3.279 440 HA MET 639 HA MET 639 12.055 2.670 -1.782 441 HB2 MET 639 HB2 MET 639 11.402 -0.144 -0.875 442 HB3 MET 639 HB3 MET 639 11.787 1.204 0.187 443 HG2 MET 639 HG2 MET 639 9.783 2.362 -0.673 444 HG3 MET 639 HG3 MET 639 9.400 0.943 -1.622 445 HE1 MET 639 HE1 MET 639 9.697 -1.414 -0.319 446 HE2 MET 639 HE2 MET 639 8.980 -1.698 1.267 447 HE3 MET 639 HE3 MET 639 10.613 -1.049 1.141 448 H TYR 640 H TYR 640 13.382 -0.095 -3.302 449 HA TYR 640 HA TYR 640 15.633 -0.566 -1.600 450 HB2 TYR 640 HB2 TYR 640 14.865 -2.397 -2.902 451 HB3 TYR 640 HB3 TYR 640 14.863 -1.443 -4.386 452 HD1 TYR 640 HD1 TYR 640 16.529 -3.992 -2.731 453 HD2 TYR 640 HD2 TYR 640 17.324 -0.436 -4.931 454 HE1 TYR 640 HE1 TYR 640 18.780 -4.829 -3.265 455 HE2 TYR 640 HE2 TYR 640 19.571 -1.267 -5.475 456 HH TYR 640 HH TYR 640 20.520 -4.481 -4.962 457 H GLU 641 H GLU 641 15.027 1.450 -4.403 458 HA GLU 641 HA GLU 641 17.834 2.111 -4.776 459 HB2 GLU 641 HB2 GLU 641 15.343 3.065 -6.203 460 HB3 GLU 641 HB3 GLU 641 16.968 3.568 -6.616 461 HG2 GLU 641 HG2 GLU 641 17.550 1.285 -7.175 462 HG3 GLU 641 HG3 GLU 641 15.931 0.752 -6.753 463 H SER 642 H SER 642 15.122 3.362 -3.066 464 HA SER 642 HA SER 642 16.202 6.077 -2.951 465 HB2 SER 642 HB2 SER 642 14.051 6.628 -1.819 466 HB3 SER 642 HB3 SER 642 13.831 5.916 -3.418 467 HG SER 642 HG SER 642 13.775 4.377 -1.043 468 H ALA 643 H ALA 643 15.562 3.312 -0.843 469 HA ALA 643 HA ALA 643 16.341 4.762 1.548 470 HB1 ALA 643 HB1 ALA 643 14.501 3.119 1.584 471 HB2 ALA 643 HB2 ALA 643 15.773 2.754 2.749 472 HB3 ALA 643 HB3 ALA 643 15.668 1.842 1.242 473 H ASN 644 H ASN 644 18.182 4.480 2.730 474 HA ASN 644 HA ASN 644 20.362 2.931 1.491 475 HB2 ASN 644 HB2 ASN 644 20.408 5.337 3.331 476 HB3 ASN 644 HB3 ASN 644 21.849 4.427 2.896 477 HD21 ASN 644 HD21 ASN 644 19.834 6.971 2.080 478 HD22 ASN 644 HD22 ASN 644 20.437 7.287 0.490 479 H SER 645 H SER 645 18.328 3.165 4.248 480 HA SER 645 HA SER 645 19.853 1.059 5.628 481 HB2 SER 645 HB2 SER 645 19.412 2.097 7.784 482 HB3 SER 645 HB3 SER 645 20.194 3.282 6.740 483 HG SER 645 HG SER 645 17.381 3.126 6.951 484 H ARG 646 H ARG 646 18.514 -0.270 7.075 485 HA ARG 646 HA ARG 646 16.143 -1.050 5.684 486 HB2 ARG 646 HB2 ARG 646 16.104 -2.962 7.140 487 HB3 ARG 646 HB3 ARG 646 17.763 -2.662 6.653 488 HG2 ARG 646 HG2 ARG 646 18.145 -1.513 8.824 489 HG3 ARG 646 HG3 ARG 646 16.515 -1.975 9.311 490 HD2 ARG 646 HD2 ARG 646 17.125 -4.344 9.031 491 HD3 ARG 646 HD3 ARG 646 18.763 -3.860 8.598 492 HE ARG 646 HE ARG 646 19.215 -3.481 10.822 493 HH11 ARG 646 HH11 ARG 646 15.741 -3.901 10.475 494 HH12 ARG 646 HH12 ARG 646 15.462 -3.947 12.185 495 HH21 ARG 646 HH21 ARG 646 18.822 -3.543 13.052 496 HH22 ARG 646 HH22 ARG 646 17.206 -3.745 13.640 497 H ASP 647 H ASP 647 16.734 0.945 8.426 498 HA ASP 647 HA ASP 647 14.071 0.747 9.532 499 HB2 ASP 647 HB2 ASP 647 16.417 2.579 10.072 500 HB3 ASP 647 HB3 ASP 647 14.864 2.781 10.873 501 H GLU 648 H GLU 648 15.674 2.591 7.082 502 HA GLU 648 HA GLU 648 13.584 4.601 6.869 503 HB2 GLU 648 HB2 GLU 648 16.103 4.058 5.286 504 HB3 GLU 648 HB3 GLU 648 14.945 5.290 4.817 505 HG2 GLU 648 HG2 GLU 648 15.359 6.546 6.798 506 HG3 GLU 648 HG3 GLU 648 16.317 5.244 7.498 507 H TYR 649 H TYR 649 14.806 1.808 5.081 508 HA TYR 649 HA TYR 649 13.193 1.727 2.857 509 HB2 TYR 649 HB2 TYR 649 15.065 0.218 3.195 510 HB3 TYR 649 HB3 TYR 649 14.277 -0.514 4.577 511 HD1 TYR 649 HD1 TYR 649 14.146 -0.186 0.907 512 HD2 TYR 649 HD2 TYR 649 12.811 -2.379 4.298 513 HE1 TYR 649 HE1 TYR 649 13.244 -1.898 -0.580 514 HE2 TYR 649 HE2 TYR 649 11.893 -4.112 2.813 515 HH TYR 649 HH TYR 649 11.109 -4.325 0.499 516 H TYR 650 H TYR 650 12.515 0.003 5.900 517 HA TYR 650 HA TYR 650 9.883 -0.738 5.329 518 HB2 TYR 650 HB2 TYR 650 11.308 -0.361 7.969 519 HB3 TYR 650 HB3 TYR 650 9.716 -1.089 7.815 520 HD1 TYR 650 HD1 TYR 650 12.750 -2.058 8.625 521 HD2 TYR 650 HD2 TYR 650 9.999 -2.818 5.466 522 HE1 TYR 650 HE1 TYR 650 13.802 -4.218 8.242 523 HE2 TYR 650 HE2 TYR 650 11.045 -5.011 5.084 524 HH TYR 650 HH TYR 650 13.224 -6.417 7.273 525 H HIS 651 H HIS 651 11.069 2.359 6.108 526 HA HIS 651 HA HIS 651 8.662 3.316 7.390 527 HB2 HIS 651 HB2 HIS 651 10.057 4.862 8.190 528 HB3 HIS 651 HB3 HIS 651 11.356 4.178 7.225 529 HD1 HIS 651 HD1 HIS 651 12.052 5.446 5.106 530 HD2 HIS 651 HD2 HIS 651 8.868 7.203 7.119 531 HE1 HIS 651 HE1 HIS 651 11.792 7.732 4.090 532 HE2 HIS 651 HE2 HIS 651 9.824 8.755 5.285 533 H LEU 652 H LEU 652 9.870 3.166 4.085 534 HA LEU 652 HA LEU 652 8.206 5.208 3.058 535 HB2 LEU 652 HB2 LEU 652 9.532 2.883 1.714 536 HB3 LEU 652 HB3 LEU 652 8.579 4.054 0.862 537 HG LEU 652 HG LEU 652 11.100 4.696 2.356 538 HD11 LEU 652 HD11 LEU 652 12.258 4.851 0.259 539 HD12 LEU 652 HD12 LEU 652 10.803 4.362 -0.606 540 HD13 LEU 652 HD13 LEU 652 11.600 3.230 0.483 541 HD21 LEU 652 HD21 LEU 652 11.033 6.804 1.115 542 HD22 LEU 652 HD22 LEU 652 9.670 6.582 2.218 543 HD23 LEU 652 HD23 LEU 652 9.450 6.346 0.482 544 H LEU 653 H LEU 653 7.775 1.619 3.190 545 HA LEU 653 HA LEU 653 5.222 1.627 2.000 546 HB2 LEU 653 HB2 LEU 653 6.906 -0.323 2.455 547 HB3 LEU 653 HB3 LEU 653 6.067 -0.453 3.979 548 HG LEU 653 HG LEU 653 4.125 -0.487 1.910 549 HD11 LEU 653 HD11 LEU 653 6.292 -2.442 1.383 550 HD12 LEU 653 HD12 LEU 653 5.768 -1.135 0.325 551 HD13 LEU 653 HD13 LEU 653 4.678 -2.483 0.676 552 HD21 LEU 653 HD21 LEU 653 5.027 -2.740 3.651 553 HD22 LEU 653 HD22 LEU 653 3.475 -2.575 2.832 554 HD23 LEU 653 HD23 LEU 653 3.900 -1.467 4.141 555 H ALA 654 H ALA 654 6.285 2.143 5.293 556 HA ALA 654 HA ALA 654 3.697 1.767 6.495 557 HB1 ALA 654 HB1 ALA 654 6.155 3.055 7.666 558 HB2 ALA 654 HB2 ALA 654 5.777 1.332 7.720 559 HB3 ALA 654 HB3 ALA 654 4.732 2.491 8.544 560 H GLU 655 H GLU 655 5.490 4.522 5.210 561 HA GLU 655 HA GLU 655 3.781 6.476 6.437 562 HB2 GLU 655 HB2 GLU 655 6.101 7.053 5.913 563 HB3 GLU 655 HB3 GLU 655 5.788 6.831 4.202 564 HG2 GLU 655 HG2 GLU 655 4.229 8.719 4.256 565 HG3 GLU 655 HG3 GLU 655 4.571 8.948 5.967 566 H LYS 656 H LYS 656 3.793 4.841 3.307 567 HA LYS 656 HA LYS 656 1.633 6.362 2.196 568 HB2 LYS 656 HB2 LYS 656 2.471 3.524 1.570 569 HB3 LYS 656 HB3 LYS 656 1.287 4.430 0.664 570 HG2 LYS 656 HG2 LYS 656 3.020 6.027 -0.022 571 HG3 LYS 656 HG3 LYS 656 4.229 5.101 0.873 572 HD2 LYS 656 HD2 LYS 656 3.728 3.145 -0.575 573 HD3 LYS 656 HD3 LYS 656 2.607 4.146 -1.498 574 HE2 LYS 656 HE2 LYS 656 4.639 4.133 -2.712 575 HE3 LYS 656 HE3 LYS 656 4.543 5.709 -1.926 576 HZ1 LYS 656 HZ1 LYS 656 6.116 3.384 -0.954 577 HZ2 LYS 656 HZ2 LYS 656 6.030 4.895 -0.202 578 HZ3 LYS 656 HZ3 LYS 656 6.750 4.751 -1.727 579 H ILE 657 H ILE 657 1.962 3.789 4.446 580 HA ILE 657 HA ILE 657 -0.710 2.783 4.351 581 HB ILE 657 HB ILE 657 1.719 2.320 6.028 582 HG12 ILE 657 HG12 ILE 657 -0.218 0.409 4.702 583 HG13 ILE 657 HG13 ILE 657 1.164 1.118 3.892 584 HG21 ILE 657 HG21 ILE 657 -0.115 2.566 7.711 585 HG22 ILE 657 HG22 ILE 657 0.652 0.974 7.683 586 HG23 ILE 657 HG23 ILE 657 -0.932 1.201 6.940 587 HD11 ILE 657 HD11 ILE 657 2.673 -0.050 5.388 588 HD12 ILE 657 HD12 ILE 657 1.568 -1.192 4.618 589 HD13 ILE 657 HD13 ILE 657 1.304 -0.701 6.292 590 H TYR 658 H TYR 658 0.908 5.349 6.107 591 HA TYR 658 HA TYR 658 -1.241 5.709 7.990 592 HB2 TYR 658 HB2 TYR 658 0.991 6.296 8.707 593 HB3 TYR 658 HB3 TYR 658 1.192 7.389 7.348 594 HD1 TYR 658 HD1 TYR 658 -0.675 6.901 10.520 595 HD2 TYR 658 HD2 TYR 658 0.507 9.656 7.497 596 HE1 TYR 658 HE1 TYR 658 -1.500 8.763 11.898 597 HE2 TYR 658 HE2 TYR 658 -0.317 11.523 8.867 598 HH TYR 658 HH TYR 658 -1.121 11.185 12.142 599 H LYS 659 H LYS 659 -0.194 7.153 4.946 600 HA LYS 659 HA LYS 659 -1.935 9.404 4.976 601 HB2 LYS 659 HB2 LYS 659 -0.453 8.049 2.741 602 HB3 LYS 659 HB3 LYS 659 -1.429 9.480 2.490 603 HG2 LYS 659 HG2 LYS 659 0.009 10.724 4.033 604 HG3 LYS 659 HG3 LYS 659 0.991 9.281 4.274 605 HD2 LYS 659 HD2 LYS 659 1.589 9.285 1.892 606 HD3 LYS 659 HD3 LYS 659 0.612 10.729 1.643 607 HE2 LYS 659 HE2 LYS 659 2.030 11.982 3.134 608 HE3 LYS 659 HE3 LYS 659 2.990 10.547 3.478 609 HZ1 LYS 659 HZ1 LYS 659 4.078 11.966 1.854 610 HZ2 LYS 659 HZ2 LYS 659 2.741 11.863 0.824 611 HZ3 LYS 659 HZ3 LYS 659 3.661 10.482 1.156 612 H ILE 660 H ILE 660 -2.249 6.135 3.726 613 HA ILE 660 HA ILE 660 -4.756 6.615 2.380 614 HB ILE 660 HB ILE 660 -3.210 4.086 3.006 615 HG12 ILE 660 HG12 ILE 660 -3.993 5.312 0.344 616 HG13 ILE 660 HG13 ILE 660 -2.467 5.644 1.149 617 HG21 ILE 660 HG21 ILE 660 -4.870 2.805 1.756 618 HG22 ILE 660 HG22 ILE 660 -5.859 4.249 1.555 619 HG23 ILE 660 HG23 ILE 660 -5.612 3.568 3.163 620 HD11 ILE 660 HD11 ILE 660 -3.412 3.057 -0.052 621 HD12 ILE 660 HD12 ILE 660 -2.029 3.146 1.044 622 HD13 ILE 660 HD13 ILE 660 -1.998 4.021 -0.486 623 H GLN 661 H GLN 661 -3.720 5.333 5.493 624 HA GLN 661 HA GLN 661 -6.277 4.578 6.469 625 HB2 GLN 661 HB2 GLN 661 -3.609 5.082 7.712 626 HB3 GLN 661 HB3 GLN 661 -5.017 4.918 8.748 627 HG2 GLN 661 HG2 GLN 661 -5.434 2.697 7.890 628 HG3 GLN 661 HG3 GLN 661 -4.128 2.859 6.732 629 HE21 GLN 661 HE21 GLN 661 -3.101 4.285 9.561 630 HE22 GLN 661 HE22 GLN 661 -2.275 2.938 10.258 631 H LYS 662 H LYS 662 -4.685 7.642 6.199 632 HA LYS 662 HA LYS 662 -6.124 9.074 8.189 633 HB2 LYS 662 HB2 LYS 662 -3.972 9.804 7.291 634 HB3 LYS 662 HB3 LYS 662 -4.755 10.132 5.753 635 HG2 LYS 662 HG2 LYS 662 -6.230 11.767 6.921 636 HG3 LYS 662 HG3 LYS 662 -5.282 11.500 8.358 637 HD2 LYS 662 HD2 LYS 662 -4.458 13.490 7.367 638 HD3 LYS 662 HD3 LYS 662 -3.275 12.232 7.089 639 HE2 LYS 662 HE2 LYS 662 -3.566 13.548 5.100 640 HE3 LYS 662 HE3 LYS 662 -4.149 11.911 4.827 641 HZ1 LYS 662 HZ1 LYS 662 -5.668 13.546 3.917 642 HZ2 LYS 662 HZ2 LYS 662 -5.833 14.280 5.431 643 HZ3 LYS 662 HZ3 LYS 662 -6.405 12.708 5.188 644 H GLU 663 H GLU 663 -6.789 8.252 4.874 645 HA GLU 663 HA GLU 663 -8.852 10.195 4.441 646 HB2 GLU 663 HB2 GLU 663 -7.988 7.743 2.893 647 HB3 GLU 663 HB3 GLU 663 -9.263 8.817 2.368 648 HG2 GLU 663 HG2 GLU 663 -6.377 9.525 2.745 649 HG3 GLU 663 HG3 GLU 663 -7.198 9.296 1.202 650 H LEU 664 H LEU 664 -8.735 6.708 5.075 651 HA LEU 664 HA LEU 664 -11.539 6.289 5.040 652 HB2 LEU 664 HB2 LEU 664 -9.314 4.656 6.255 653 HB3 LEU 664 HB3 LEU 664 -10.983 4.144 6.263 654 HG LEU 664 HG LEU 664 -9.390 4.645 3.742 655 HD11 LEU 664 HD11 LEU 664 -10.008 1.964 4.966 656 HD12 LEU 664 HD12 LEU 664 -8.452 2.782 5.086 657 HD13 LEU 664 HD13 LEU 664 -9.070 2.293 3.508 658 HD21 LEU 664 HD21 LEU 664 -12.038 3.278 4.175 659 HD22 LEU 664 HD22 LEU 664 -11.163 3.356 2.644 660 HD23 LEU 664 HD23 LEU 664 -11.773 4.835 3.385 661 H GLU 665 H GLU 665 -9.467 7.581 7.480 662 HA GLU 665 HA GLU 665 -11.192 7.065 9.719 663 HB2 GLU 665 HB2 GLU 665 -8.704 8.621 9.270 664 HB3 GLU 665 HB3 GLU 665 -9.725 9.106 10.617 665 HG2 GLU 665 HG2 GLU 665 -9.109 6.224 10.369 666 HG3 GLU 665 HG3 GLU 665 -7.793 7.293 10.848 667 H GLU 666 H GLU 666 -11.178 9.371 7.178 668 HA GLU 666 HA GLU 666 -12.756 11.393 8.447 669 HB2 GLU 666 HB2 GLU 666 -12.309 10.759 5.523 670 HB3 GLU 666 HB3 GLU 666 -13.183 12.168 6.104 671 HG2 GLU 666 HG2 GLU 666 -10.304 11.559 6.741 672 HG3 GLU 666 HG3 GLU 666 -10.845 12.644 5.462 673 H LYS 667 H LYS 667 -13.429 8.326 7.020 674 HA LYS 667 HA LYS 667 -16.291 8.750 6.771 675 HB2 LYS 667 HB2 LYS 667 -14.555 6.299 6.462 676 HB3 LYS 667 HB3 LYS 667 -16.307 6.255 6.369 677 HG2 LYS 667 HG2 LYS 667 -15.536 6.312 4.144 678 HG3 LYS 667 HG3 LYS 667 -16.151 7.927 4.493 679 HD2 LYS 667 HD2 LYS 667 -13.828 8.681 4.921 680 HD3 LYS 667 HD3 LYS 667 -13.254 7.077 4.481 681 HE2 LYS 667 HE2 LYS 667 -13.521 7.426 2.286 682 HE3 LYS 667 HE3 LYS 667 -14.985 8.385 2.493 683 HZ1 LYS 667 HZ1 LYS 667 -12.201 9.320 2.959 684 HZ2 LYS 667 HZ2 LYS 667 -13.596 10.250 3.189 685 HZ3 LYS 667 HZ3 LYS 667 -13.177 9.727 1.636 686 H ARG 668 H ARG 668 -14.071 7.903 9.204 687 HA ARG 668 HA ARG 668 -15.895 6.310 10.806 688 HB2 ARG 668 HB2 ARG 668 -13.081 7.286 11.326 689 HB3 ARG 668 HB3 ARG 668 -13.977 6.219 12.392 690 HG2 ARG 668 HG2 ARG 668 -14.069 4.537 10.639 691 HG3 ARG 668 HG3 ARG 668 -13.183 5.604 9.555 692 HD2 ARG 668 HD2 ARG 668 -11.297 5.607 11.136 693 HD3 ARG 668 HD3 ARG 668 -12.171 4.476 12.167 694 HE ARG 668 HE ARG 668 -12.058 3.284 9.689 695 HH11 ARG 668 HH11 ARG 668 -9.663 4.408 12.004 696 HH12 ARG 668 HH12 ARG 668 -8.485 3.233 11.522 697 HH21 ARG 668 HH21 ARG 668 -10.500 1.762 9.081 698 HH22 ARG 668 HH22 ARG 668 -8.958 1.738 9.870 699 H ARG 669 H ARG 669 -15.127 9.631 10.439 700 HA ARG 669 HA ARG 669 -15.821 10.384 13.162 701 HB2 ARG 669 HB2 ARG 669 -15.035 12.004 10.732 702 HB3 ARG 669 HB3 ARG 669 -15.443 12.727 12.279 703 HG2 ARG 669 HG2 ARG 669 -13.571 11.581 13.328 704 HG3 ARG 669 HG3 ARG 669 -13.165 10.809 11.796 705 HD2 ARG 669 HD2 ARG 669 -12.798 13.020 10.813 706 HD3 ARG 669 HD3 ARG 669 -13.157 13.772 12.366 707 HE ARG 669 HE ARG 669 -11.110 11.986 12.845 708 HH11 ARG 669 HH11 ARG 669 -11.518 14.834 10.826 709 HH12 ARG 669 HH12 ARG 669 -9.841 15.261 10.893 710 HH21 ARG 669 HH21 ARG 669 -8.923 12.567 12.919 711 HH22 ARG 669 HH22 ARG 669 -8.374 13.978 12.077 712 H SER 670 H SER 670 -17.501 9.745 10.300 713 HA SER 670 HA SER 670 -19.634 11.658 10.668 714 HB2 SER 670 HB2 SER 670 -20.688 10.525 8.750 715 HB3 SER 670 HB3 SER 670 -19.018 10.975 8.416 716 HG SER 670 HG SER 670 -19.735 8.400 9.341 717 H ARG 671 H ARG 671 -18.864 8.692 12.069 718 HA ARG 671 HA ARG 671 -21.625 7.909 12.592 719 HB2 ARG 671 HB2 ARG 671 -19.024 6.569 13.295 720 HB3 ARG 671 HB3 ARG 671 -20.619 5.917 13.643 721 HG2 ARG 671 HG2 ARG 671 -21.092 5.839 11.235 722 HG3 ARG 671 HG3 ARG 671 -19.478 6.466 10.909 723 HD2 ARG 671 HD2 ARG 671 -18.557 4.562 12.138 724 HD3 ARG 671 HD3 ARG 671 -20.174 3.872 12.249 725 HE ARG 671 HE ARG 671 -19.726 4.379 9.569 726 HH11 ARG 671 HH11 ARG 671 -18.237 2.343 12.016 727 HH12 ARG 671 HH12 ARG 671 -17.717 1.152 10.872 728 HH21 ARG 671 HH21 ARG 671 -19.037 2.803 8.091 729 HH22 ARG 671 HH22 ARG 671 -18.170 1.412 8.655 730 H LEU 672 H LEU 672 -19.435 9.981 13.913 731 HA LEU 672 HA LEU 672 -20.417 9.611 16.662 732 HB2 LEU 672 HB2 LEU 672 -17.932 11.064 15.736 733 HB3 LEU 672 HB3 LEU 672 -18.461 10.926 17.399 734 HG LEU 672 HG LEU 672 -17.567 8.630 15.644 735 HD11 LEU 672 HD11 LEU 672 -15.714 10.074 16.321 736 HD12 LEU 672 HD12 LEU 672 -15.634 8.502 17.116 737 HD13 LEU 672 HD13 LEU 672 -16.203 9.913 18.008 738 HD21 LEU 672 HD21 LEU 672 -19.278 7.936 17.222 739 HD22 LEU 672 HD22 LEU 672 -18.378 8.677 18.545 740 HD23 LEU 672 HD23 LEU 672 -17.702 7.293 17.687 741 H1 GLY 519 H1 GLY 519 -3.852 8.178 -23.828 742 H2 GLY 519 H2 GLY 519 -3.053 6.945 -22.991 743 H3 GLY 519 H3 GLY 519 -4.555 6.643 -23.707 744 HA2 GLY 519 HA2 GLY 519 -3.612 6.987 -25.907 745 HA3 GLY 519 HA3 GLY 519 -2.051 7.296 -25.162 746 H SER 520 H SER 520 -0.710 5.640 -24.885 747 HA SER 520 HA SER 520 -1.753 2.920 -25.310 748 HB2 SER 520 HB2 SER 520 -0.162 3.535 -27.018 749 HB3 SER 520 HB3 SER 520 0.992 4.097 -25.811 750 HG SER 520 HG SER 520 1.424 2.033 -25.245 751 HA PRO 521 HA PRO 521 -0.712 2.118 -21.016 752 HB2 PRO 521 HB2 PRO 521 -0.904 -0.603 -21.032 753 HB3 PRO 521 HB3 PRO 521 -2.306 0.463 -21.048 754 HG2 PRO 521 HG2 PRO 521 -1.040 -0.934 -23.275 755 HG3 PRO 521 HG3 PRO 521 -2.632 -0.735 -22.969 756 HD2 PRO 521 HD2 PRO 521 -1.394 0.671 -24.728 757 HD3 PRO 521 HD3 PRO 521 -2.686 1.247 -23.912 758 H GLY 522 H GLY 522 1.133 1.911 -19.899 759 HA2 GLY 522 HA2 GLY 522 3.063 0.139 -19.731 760 HA3 GLY 522 HA3 GLY 522 3.497 0.856 -21.275 761 H TYR 523 H TYR 523 4.393 0.822 -18.220 762 HA TYR 523 HA TYR 523 5.629 2.101 -16.824 763 HB2 TYR 523 HB2 TYR 523 7.015 2.352 -18.885 764 HB3 TYR 523 HB3 TYR 523 6.150 3.835 -19.256 765 HD1 TYR 523 HD1 TYR 523 8.466 2.254 -16.829 766 HD2 TYR 523 HD2 TYR 523 6.772 5.896 -18.240 767 HE1 TYR 523 HE1 TYR 523 10.092 3.524 -15.491 768 HE2 TYR 523 HE2 TYR 523 8.396 7.173 -16.908 769 HH TYR 523 HH TYR 523 11.123 5.749 -15.473 770 HA PRO 524 HA PRO 524 2.347 5.159 -15.728 771 HB2 PRO 524 HB2 PRO 524 2.792 5.121 -13.059 772 HB3 PRO 524 HB3 PRO 524 1.817 3.892 -13.873 773 HG2 PRO 524 HG2 PRO 524 4.649 3.711 -13.080 774 HG3 PRO 524 HG3 PRO 524 3.465 2.615 -12.830 775 HD2 PRO 524 HD2 PRO 524 5.055 2.283 -14.913 776 HD3 PRO 524 HD3 PRO 524 3.469 1.935 -15.089 777 H ASN 525 H ASN 525 2.471 7.318 -15.287 778 HA ASN 525 HA ASN 525 5.097 8.427 -14.533 779 HB2 ASN 525 HB2 ASN 525 3.188 9.333 -16.693 780 HB3 ASN 525 HB3 ASN 525 4.387 10.422 -16.014 781 HD21 ASN 525 HD21 ASN 525 3.792 8.438 -18.555 782 HD22 ASN 525 HD22 ASN 525 5.412 8.055 -19.017 783 H GLY 526 H GLY 526 5.062 9.699 -12.792 784 HA2 GLY 526 HA2 GLY 526 3.062 11.573 -12.156 785 HA3 GLY 526 HA3 GLY 526 2.756 10.105 -11.243 786 H LEU 527 H LEU 527 4.075 13.047 -11.012 787 HA LEU 527 HA LEU 527 6.056 12.211 -9.023 788 HB2 LEU 527 HB2 LEU 527 6.045 14.655 -10.787 789 HB3 LEU 527 HB3 LEU 527 7.130 14.454 -9.442 790 HG LEU 527 HG LEU 527 7.119 12.782 -11.958 791 HD11 LEU 527 HD11 LEU 527 7.974 14.986 -12.412 792 HD12 LEU 527 HD12 LEU 527 9.294 13.818 -12.422 793 HD13 LEU 527 HD13 LEU 527 9.069 14.883 -11.033 794 HD21 LEU 527 HD21 LEU 527 9.109 11.718 -11.137 795 HD22 LEU 527 HD22 LEU 527 7.803 11.510 -9.971 796 HD23 LEU 527 HD23 LEU 527 9.071 12.697 -9.674 797 H LEU 528 H LEU 528 3.783 14.658 -9.889 798 HA LEU 528 HA LEU 528 3.468 15.567 -7.144 799 HB2 LEU 528 HB2 LEU 528 2.217 16.540 -9.719 800 HB3 LEU 528 HB3 LEU 528 1.943 17.275 -8.158 801 HG LEU 528 HG LEU 528 4.611 17.186 -9.593 802 HD11 LEU 528 HD11 LEU 528 3.052 18.640 -10.733 803 HD12 LEU 528 HD12 LEU 528 4.237 19.614 -9.860 804 HD13 LEU 528 HD13 LEU 528 2.610 19.410 -9.209 805 HD21 LEU 528 HD21 LEU 528 4.827 17.240 -7.136 806 HD22 LEU 528 HD22 LEU 528 3.793 18.669 -7.089 807 HD23 LEU 528 HD23 LEU 528 5.365 18.743 -7.885 808 H SER 529 H SER 529 2.040 13.515 -9.418 809 HA SER 529 HA SER 529 -0.139 12.860 -7.560 810 HB2 SER 529 HB2 SER 529 -0.375 13.199 -10.556 811 HB3 SER 529 HB3 SER 529 -1.591 12.377 -9.583 812 HG SER 529 HG SER 529 -2.056 14.613 -9.922 813 H GLY 530 H GLY 530 1.317 11.222 -6.835 814 HA2 GLY 530 HA2 GLY 530 1.436 8.889 -8.639 815 HA3 GLY 530 HA3 GLY 530 2.848 9.385 -7.719 816 H ASP 531 H ASP 531 1.664 10.002 -5.267 817 HA ASP 531 HA ASP 531 0.535 7.417 -4.419 818 HB2 ASP 531 HB2 ASP 531 2.651 9.064 -3.026 819 HB3 ASP 531 HB3 ASP 531 1.790 7.742 -2.249 820 H GLU 532 H GLU 532 0.163 10.708 -4.567 821 HA GLU 532 HA GLU 532 -1.600 10.912 -2.271 822 HB2 GLU 532 HB2 GLU 532 -0.357 12.906 -4.127 823 HB3 GLU 532 HB3 GLU 532 -1.636 13.353 -3.034 824 HG2 GLU 532 HG2 GLU 532 -0.251 12.648 -1.149 825 HG3 GLU 532 HG3 GLU 532 1.038 12.220 -2.269 826 H ASP 533 H ASP 533 -1.790 10.051 -5.381 827 HA ASP 533 HA ASP 533 -4.356 11.282 -6.029 828 HB2 ASP 533 HB2 ASP 533 -2.504 11.090 -7.725 829 HB3 ASP 533 HB3 ASP 533 -2.714 9.345 -7.682 830 H PHE 534 H PHE 534 -3.253 8.500 -4.458 831 HA PHE 534 HA PHE 534 -5.328 6.725 -5.343 832 HB2 PHE 534 HB2 PHE 534 -3.242 6.463 -3.185 833 HB3 PHE 534 HB3 PHE 534 -4.468 5.231 -3.478 834 HD1 PHE 534 HD1 PHE 534 -1.263 5.884 -3.972 835 HD2 PHE 534 HD2 PHE 534 -4.668 4.883 -6.297 836 HE1 PHE 534 HE1 PHE 534 0.220 4.952 -5.723 837 HE2 PHE 534 HE2 PHE 534 -3.220 3.962 -8.052 838 HZ PHE 534 HZ PHE 534 -0.765 4.002 -7.767 839 H SER 535 H SER 535 -5.193 9.206 -3.231 840 HA SER 535 HA SER 535 -6.899 8.447 -1.114 841 HB2 SER 535 HB2 SER 535 -7.171 10.822 -0.693 842 HB3 SER 535 HB3 SER 535 -5.497 10.513 -1.145 843 HG SER 535 HG SER 535 -7.506 11.851 -2.540 844 H SER 536 H SER 536 -7.541 9.332 -4.406 845 HA SER 536 HA SER 536 -10.400 9.604 -4.015 846 HB2 SER 536 HB2 SER 536 -10.465 10.077 -6.403 847 HB3 SER 536 HB3 SER 536 -9.313 11.115 -5.573 848 HG SER 536 HG SER 536 -8.701 9.950 -7.646 849 H ILE 537 H ILE 537 -8.120 7.209 -5.133 850 HA ILE 537 HA ILE 537 -10.173 5.569 -6.372 851 HB ILE 537 HB ILE 537 -7.204 5.079 -6.044 852 HG12 ILE 537 HG12 ILE 537 -8.654 5.616 -8.643 853 HG13 ILE 537 HG13 ILE 537 -8.006 6.917 -7.660 854 HG21 ILE 537 HG21 ILE 537 -8.306 2.928 -6.120 855 HG22 ILE 537 HG22 ILE 537 -7.434 3.208 -7.625 856 HG23 ILE 537 HG23 ILE 537 -9.187 3.398 -7.574 857 HD11 ILE 537 HD11 ILE 537 -6.424 4.707 -8.972 858 HD12 ILE 537 HD12 ILE 537 -5.746 5.964 -7.938 859 HD13 ILE 537 HD13 ILE 537 -6.498 6.396 -9.475 860 H ALA 538 H ALA 538 -8.323 5.617 -3.379 861 HA ALA 538 HA ALA 538 -9.053 2.927 -2.694 862 HB1 ALA 538 HB1 ALA 538 -6.875 3.819 -2.023 863 HB2 ALA 538 HB2 ALA 538 -7.812 3.288 -0.626 864 HB3 ALA 538 HB3 ALA 538 -7.685 5.006 -1.000 865 H ASP 539 H ASP 539 -10.530 5.881 -2.421 866 HA ASP 539 HA ASP 539 -12.376 4.947 -0.339 867 HB2 ASP 539 HB2 ASP 539 -11.914 7.690 -1.535 868 HB3 ASP 539 HB3 ASP 539 -13.280 7.332 -0.484 869 H MET 540 H MET 540 -11.950 4.962 -3.610 870 HA MET 540 HA MET 540 -14.788 4.928 -4.313 871 HB2 MET 540 HB2 MET 540 -13.222 6.141 -5.769 872 HB3 MET 540 HB3 MET 540 -12.277 4.684 -5.986 873 HG2 MET 540 HG2 MET 540 -14.067 3.647 -7.227 874 HG3 MET 540 HG3 MET 540 -15.140 4.996 -6.882 875 HE1 MET 540 HE1 MET 540 -13.409 7.607 -7.442 876 HE2 MET 540 HE2 MET 540 -15.041 7.323 -8.044 877 HE3 MET 540 HE3 MET 540 -13.770 7.839 -9.152 878 H ASP 541 H ASP 541 -11.956 2.863 -4.035 879 HA ASP 541 HA ASP 541 -13.272 0.510 -5.027 880 HB2 ASP 541 HB2 ASP 541 -10.547 1.144 -3.978 881 HB3 ASP 541 HB3 ASP 541 -11.048 -0.519 -4.209 882 H PHE 542 H PHE 542 -12.758 1.983 -1.897 883 HA PHE 542 HA PHE 542 -12.939 -0.376 -0.306 884 HB2 PHE 542 HB2 PHE 542 -12.017 1.793 0.487 885 HB3 PHE 542 HB3 PHE 542 -13.639 2.470 0.454 886 HD1 PHE 542 HD1 PHE 542 -11.543 -0.137 2.072 887 HD2 PHE 542 HD2 PHE 542 -15.067 2.246 2.282 888 HE1 PHE 542 HE1 PHE 542 -11.923 -0.903 4.380 889 HE2 PHE 542 HE2 PHE 542 -15.450 1.483 4.587 890 HZ PHE 542 HZ PHE 542 -13.875 -0.091 5.641 891 H SER 543 H SER 543 -15.303 1.682 -1.822 892 HA SER 543 HA SER 543 -17.579 0.582 -0.429 893 HB2 SER 543 HB2 SER 543 -18.905 1.947 -1.983 894 HB3 SER 543 HB3 SER 543 -17.607 2.893 -1.260 895 HG SER 543 HG SER 543 -17.943 3.053 -3.633 896 H ALA 544 H ALA 544 -15.732 -0.167 -3.262 897 HA ALA 544 HA ALA 544 -17.766 -1.805 -4.512 898 HB1 ALA 544 HB1 ALA 544 -16.066 -2.257 -6.204 899 HB2 ALA 544 HB2 ALA 544 -14.857 -1.439 -5.215 900 HB3 ALA 544 HB3 ALA 544 -16.208 -0.527 -5.888 901 H LEU 545 H LEU 545 -15.163 -2.257 -2.270 902 HA LEU 545 HA LEU 545 -14.834 -5.078 -2.659 903 HB2 LEU 545 HB2 LEU 545 -13.945 -3.231 -0.470 904 HB3 LEU 545 HB3 LEU 545 -13.560 -4.934 -0.510 905 HG LEU 545 HG LEU 545 -12.691 -2.898 -2.546 906 HD11 LEU 545 HD11 LEU 545 -11.573 -2.610 -0.385 907 HD12 LEU 545 HD12 LEU 545 -10.473 -3.078 -1.682 908 HD13 LEU 545 HD13 LEU 545 -10.992 -4.273 -0.494 909 HD21 LEU 545 HD21 LEU 545 -11.224 -4.645 -3.438 910 HD22 LEU 545 HD22 LEU 545 -12.933 -5.049 -3.602 911 HD23 LEU 545 HD23 LEU 545 -11.968 -5.803 -2.334 912 H LEU 546 H LEU 546 -16.933 -3.073 -0.740 913 HA LEU 546 HA LEU 546 -17.769 -5.232 1.024 914 HB2 LEU 546 HB2 LEU 546 -18.714 -2.381 0.741 915 HB3 LEU 546 HB3 LEU 546 -19.376 -3.507 1.898 916 HG LEU 546 HG LEU 546 -16.517 -2.547 1.836 917 HD11 LEU 546 HD11 LEU 546 -18.031 -0.758 2.465 918 HD12 LEU 546 HD12 LEU 546 -17.142 -1.320 3.882 919 HD13 LEU 546 HD13 LEU 546 -18.819 -1.809 3.642 920 HD21 LEU 546 HD21 LEU 546 -16.720 -4.785 2.775 921 HD22 LEU 546 HD22 LEU 546 -18.002 -4.231 3.849 922 HD23 LEU 546 HD23 LEU 546 -16.362 -3.614 4.044 923 H SER 547 H SER 547 -18.816 -3.644 -1.860 924 HA SER 547 HA SER 547 -21.539 -4.539 -1.811 925 HB2 SER 547 HB2 SER 547 -21.716 -3.567 -4.021 926 HB3 SER 547 HB3 SER 547 -20.790 -2.479 -2.991 927 HG SER 547 HG SER 547 -19.993 -3.946 -5.202 928 H GLN 548 H GLN 548 -18.607 -6.060 -2.702 929 HA GLN 548 HA GLN 548 -19.825 -7.890 -4.595 930 HB2 GLN 548 HB2 GLN 548 -17.012 -7.567 -3.598 931 HB3 GLN 548 HB3 GLN 548 -17.495 -8.910 -4.622 932 HG2 GLN 548 HG2 GLN 548 -18.170 -7.354 -6.374 933 HG3 GLN 548 HG3 GLN 548 -17.733 -6.000 -5.347 934 HE21 GLN 548 HE21 GLN 548 -15.283 -7.311 -4.357 935 HE22 GLN 548 HE22 GLN 548 -14.152 -7.242 -5.661 936 H ILE 549 H ILE 549 -19.482 -7.743 -1.282 937 HA ILE 549 HA ILE 549 -19.476 -10.665 -0.935 938 HB ILE 549 HB ILE 549 -19.020 -8.472 1.120 939 HG12 ILE 549 HG12 ILE 549 -17.103 -10.609 0.142 940 HG13 ILE 549 HG13 ILE 549 -17.156 -8.985 -0.527 941 HG21 ILE 549 HG21 ILE 549 -20.196 -10.374 2.139 942 HG22 ILE 549 HG22 ILE 549 -18.535 -10.277 2.721 943 HG23 ILE 549 HG23 ILE 549 -18.973 -11.477 1.504 944 HD11 ILE 549 HD11 ILE 549 -15.347 -9.214 1.072 945 HD12 ILE 549 HD12 ILE 549 -16.492 -9.705 2.322 946 HD13 ILE 549 HD13 ILE 549 -16.553 -8.070 1.663 947 H SER 550 H SER 550 -21.409 -7.775 -0.451 948 HA SER 550 HA SER 550 -23.512 -9.270 0.924 949 HB2 SER 550 HB2 SER 550 -24.572 -7.032 1.222 950 HB3 SER 550 HB3 SER 550 -22.945 -7.119 1.893 951 HG SER 550 HG SER 550 -22.976 -5.261 0.747 952 H SER 551 H SER 551 -22.921 -7.550 -2.109 953 HA SER 551 HA SER 551 -25.560 -8.409 -3.090 954 HB2 SER 551 HB2 SER 551 -23.763 -6.178 -4.070 955 HB3 SER 551 HB3 SER 551 -25.272 -6.655 -4.846 956 HG SER 551 HG SER 551 -26.098 -5.254 -3.507 Start of MODEL 20 1 H1 GLY 586 H1 GLY 586 26.525 -2.704 -7.157 2 H2 GLY 586 H2 GLY 586 27.816 -3.495 -7.909 3 H3 GLY 586 H3 GLY 586 27.140 -2.118 -8.621 4 HA2 GLY 586 HA2 GLY 586 29.238 -1.570 -7.572 5 HA3 GLY 586 HA3 GLY 586 27.896 -0.746 -6.792 6 H VAL 587 H VAL 587 28.062 -0.702 -4.669 7 HA VAL 587 HA VAL 587 29.665 -2.695 -3.265 8 HB VAL 587 HB VAL 587 28.347 -0.181 -2.188 9 HG11 VAL 587 HG11 VAL 587 30.389 -1.983 -0.879 10 HG12 VAL 587 HG12 VAL 587 28.689 -1.855 -0.431 11 HG13 VAL 587 HG13 VAL 587 29.763 -0.473 -0.216 12 HG21 VAL 587 HG21 VAL 587 30.100 0.373 -3.775 13 HG22 VAL 587 HG22 VAL 587 31.227 -0.693 -2.936 14 HG23 VAL 587 HG23 VAL 587 30.624 0.758 -2.136 15 H ARG 588 H ARG 588 28.884 -4.185 -1.867 16 HA ARG 588 HA ARG 588 26.016 -4.692 -1.923 17 HB2 ARG 588 HB2 ARG 588 27.676 -6.496 -2.463 18 HB3 ARG 588 HB3 ARG 588 28.218 -6.435 -0.796 19 HG2 ARG 588 HG2 ARG 588 26.064 -7.200 -0.018 20 HG3 ARG 588 HG3 ARG 588 25.404 -7.119 -1.650 21 HD2 ARG 588 HD2 ARG 588 25.871 -9.407 -1.199 22 HD3 ARG 588 HD3 ARG 588 27.108 -8.846 -2.319 23 HE ARG 588 HE ARG 588 28.043 -8.583 0.328 24 HH11 ARG 588 HH11 ARG 588 27.350 -11.105 -2.020 25 HH12 ARG 588 HH12 ARG 588 28.517 -12.200 -1.360 26 HH21 ARG 588 HH21 ARG 588 29.569 -10.034 1.173 27 HH22 ARG 588 HH22 ARG 588 29.769 -11.594 0.447 28 H LYS 589 H LYS 589 24.686 -4.462 -0.256 29 HA LYS 589 HA LYS 589 25.829 -3.777 2.374 30 HB2 LYS 589 HB2 LYS 589 23.182 -2.946 1.157 31 HB3 LYS 589 HB3 LYS 589 23.667 -2.591 2.806 32 HG2 LYS 589 HG2 LYS 589 25.514 -1.220 1.967 33 HG3 LYS 589 HG3 LYS 589 25.050 -1.606 0.311 34 HD2 LYS 589 HD2 LYS 589 23.027 -0.387 0.488 35 HD3 LYS 589 HD3 LYS 589 23.162 -0.280 2.245 36 HE2 LYS 589 HE2 LYS 589 23.753 1.856 1.402 37 HE3 LYS 589 HE3 LYS 589 25.255 1.079 1.896 38 HZ1 LYS 589 HZ1 LYS 589 25.691 0.521 -0.410 39 HZ2 LYS 589 HZ2 LYS 589 25.475 2.191 -0.242 40 HZ3 LYS 589 HZ3 LYS 589 24.236 1.240 -0.891 41 H GLY 590 H GLY 590 24.295 -4.288 4.227 42 HA2 GLY 590 HA2 GLY 590 24.126 -7.125 4.303 43 HA3 GLY 590 HA3 GLY 590 23.712 -6.028 5.602 44 H TRP 591 H TRP 591 21.733 -4.773 3.518 45 HA TRP 591 HA TRP 591 19.441 -6.124 4.524 46 HB2 TRP 591 HB2 TRP 591 18.126 -4.557 3.226 47 HB3 TRP 591 HB3 TRP 591 19.441 -3.711 4.017 48 HD1 TRP 591 HD1 TRP 591 21.266 -2.528 2.421 49 HE1 TRP 591 HE1 TRP 591 21.247 -1.923 -0.079 50 HE3 TRP 591 HE3 TRP 591 17.310 -5.412 0.918 51 HZ2 TRP 591 HZ2 TRP 591 19.755 -2.588 -2.384 52 HZ3 TRP 591 HZ3 TRP 591 16.655 -5.364 -1.450 53 HH2 TRP 591 HH2 TRP 591 17.852 -3.981 -3.067 54 H HIS 592 H HIS 592 21.079 -6.261 1.388 55 HA HIS 592 HA HIS 592 19.088 -7.875 0.121 56 HB2 HIS 592 HB2 HIS 592 20.825 -6.383 -1.020 57 HB3 HIS 592 HB3 HIS 592 21.995 -7.654 -0.696 58 HD1 HIS 592 HD1 HIS 592 22.399 -8.964 -2.743 59 HD2 HIS 592 HD2 HIS 592 18.427 -7.775 -2.468 60 HE1 HIS 592 HE1 HIS 592 21.271 -9.911 -4.781 61 HE2 HIS 592 HE2 HIS 592 18.852 -9.243 -4.552 62 H GLU 593 H GLU 593 21.454 -8.565 2.444 63 HA GLU 593 HA GLU 593 21.939 -11.305 1.688 64 HB2 GLU 593 HB2 GLU 593 22.718 -9.678 4.090 65 HB3 GLU 593 HB3 GLU 593 23.085 -11.390 3.954 66 HG2 GLU 593 HG2 GLU 593 24.000 -9.229 2.068 67 HG3 GLU 593 HG3 GLU 593 24.976 -10.003 3.314 68 H HIS 594 H HIS 594 19.611 -9.613 3.622 69 HA HIS 594 HA HIS 594 18.628 -12.187 4.649 70 HB2 HIS 594 HB2 HIS 594 18.292 -9.465 5.904 71 HB3 HIS 594 HB3 HIS 594 17.499 -10.923 6.483 72 HD1 HIS 594 HD1 HIS 594 19.388 -12.890 7.139 73 HD2 HIS 594 HD2 HIS 594 20.541 -8.903 7.247 74 HE1 HIS 594 HE1 HIS 594 21.383 -12.810 8.667 75 HE2 HIS 594 HE2 HIS 594 22.147 -10.411 8.600 76 H VAL 595 H VAL 595 17.770 -9.427 2.717 77 HA VAL 595 HA VAL 595 14.931 -9.938 2.911 78 HB VAL 595 HB VAL 595 16.464 -8.020 1.121 79 HG11 VAL 595 HG11 VAL 595 14.446 -8.717 -0.077 80 HG12 VAL 595 HG12 VAL 595 14.306 -7.046 0.471 81 HG13 VAL 595 HG13 VAL 595 13.462 -8.330 1.335 82 HG21 VAL 595 HG21 VAL 595 15.213 -6.329 2.509 83 HG22 VAL 595 HG22 VAL 595 16.451 -7.252 3.357 84 HG23 VAL 595 HG23 VAL 595 14.746 -7.663 3.567 85 H THR 596 H THR 596 13.779 -11.273 1.740 86 HA THR 596 HA THR 596 15.018 -12.588 -0.589 87 HB THR 596 HB THR 596 13.645 -14.541 -0.156 88 HG1 THR 596 HG1 THR 596 12.694 -13.863 2.307 89 HG21 THR 596 HG21 THR 596 14.971 -13.623 2.391 90 HG22 THR 596 HG22 THR 596 15.773 -14.425 1.040 91 HG23 THR 596 HG23 THR 596 14.552 -15.284 1.979 92 H GLN 597 H GLN 597 13.081 -13.733 -1.891 93 HA GLN 597 HA GLN 597 11.325 -11.746 -2.958 94 HB2 GLN 597 HB2 GLN 597 11.414 -14.759 -3.317 95 HB3 GLN 597 HB3 GLN 597 10.286 -13.716 -4.162 96 HG2 GLN 597 HG2 GLN 597 12.133 -12.575 -5.264 97 HG3 GLN 597 HG3 GLN 597 13.278 -13.582 -4.390 98 HE21 GLN 597 HE21 GLN 597 10.614 -15.409 -5.110 99 HE22 GLN 597 HE22 GLN 597 11.153 -16.135 -6.583 100 H ASP 598 H ASP 598 11.232 -13.844 -0.258 101 HA ASP 598 HA ASP 598 8.353 -14.110 -0.106 102 HB2 ASP 598 HB2 ASP 598 10.590 -14.906 1.773 103 HB3 ASP 598 HB3 ASP 598 8.889 -15.200 2.117 104 H LEU 599 H LEU 599 10.856 -12.078 1.446 105 HA LEU 599 HA LEU 599 9.135 -10.814 3.298 106 HB2 LEU 599 HB2 LEU 599 11.572 -10.578 3.448 107 HB3 LEU 599 HB3 LEU 599 11.600 -9.671 1.956 108 HG LEU 599 HG LEU 599 10.193 -7.903 3.169 109 HD11 LEU 599 HD11 LEU 599 9.996 -7.966 5.486 110 HD12 LEU 599 HD12 LEU 599 11.256 -9.190 5.652 111 HD13 LEU 599 HD13 LEU 599 9.683 -9.632 5.012 112 HD21 LEU 599 HD21 LEU 599 12.141 -7.014 4.472 113 HD22 LEU 599 HD22 LEU 599 12.512 -7.406 2.799 114 HD23 LEU 599 HD23 LEU 599 13.005 -8.500 4.092 115 H ARG 600 H ARG 600 10.006 -9.930 -0.032 116 HA ARG 600 HA ARG 600 8.770 -7.442 -0.197 117 HB2 ARG 600 HB2 ARG 600 9.209 -9.541 -2.329 118 HB3 ARG 600 HB3 ARG 600 8.616 -7.926 -2.684 119 HG2 ARG 600 HG2 ARG 600 10.677 -6.973 -1.766 120 HG3 ARG 600 HG3 ARG 600 11.254 -8.605 -1.415 121 HD2 ARG 600 HD2 ARG 600 12.289 -7.941 -3.448 122 HD3 ARG 600 HD3 ARG 600 11.025 -9.093 -3.877 123 HE ARG 600 HE ARG 600 10.027 -6.449 -4.019 124 HH11 ARG 600 HH11 ARG 600 12.124 -8.648 -5.785 125 HH12 ARG 600 HH12 ARG 600 11.842 -7.873 -7.310 126 HH21 ARG 600 HH21 ARG 600 9.676 -5.452 -6.023 127 HH22 ARG 600 HH22 ARG 600 10.456 -6.067 -7.442 128 H SER 601 H SER 601 7.385 -10.618 -0.358 129 HA SER 601 HA SER 601 4.797 -9.753 -1.322 130 HB2 SER 601 HB2 SER 601 4.139 -12.105 -0.984 131 HB3 SER 601 HB3 SER 601 5.673 -12.006 -1.843 132 HG SER 601 HG SER 601 6.726 -12.418 0.151 133 H HIS 602 H HIS 602 6.287 -10.422 1.805 134 HA HIS 602 HA HIS 602 3.815 -10.245 3.298 135 HB2 HIS 602 HB2 HIS 602 6.684 -10.227 4.275 136 HB3 HIS 602 HB3 HIS 602 5.259 -10.420 5.286 137 HD1 HIS 602 HD1 HIS 602 7.363 -12.587 5.379 138 HD2 HIS 602 HD2 HIS 602 4.170 -12.653 2.721 139 HE1 HIS 602 HE1 HIS 602 7.072 -15.001 4.736 140 HE2 HIS 602 HE2 HIS 602 5.082 -15.028 3.191 141 H LEU 603 H LEU 603 6.391 -8.119 2.325 142 HA LEU 603 HA LEU 603 5.772 -5.821 3.870 143 HB2 LEU 603 HB2 LEU 603 7.180 -6.375 1.276 144 HB3 LEU 603 HB3 LEU 603 6.865 -4.721 1.731 145 HG LEU 603 HG LEU 603 8.562 -6.691 3.302 146 HD11 LEU 603 HD11 LEU 603 9.792 -6.149 1.392 147 HD12 LEU 603 HD12 LEU 603 10.415 -5.131 2.700 148 HD13 LEU 603 HD13 LEU 603 9.330 -4.448 1.484 149 HD21 LEU 603 HD21 LEU 603 9.381 -4.701 4.516 150 HD22 LEU 603 HD22 LEU 603 7.706 -5.129 4.868 151 HD23 LEU 603 HD23 LEU 603 8.068 -3.769 3.798 152 H VAL 604 H VAL 604 4.524 -7.168 0.895 153 HA VAL 604 HA VAL 604 2.791 -4.958 0.279 154 HB VAL 604 HB VAL 604 3.344 -7.653 -0.952 155 HG11 VAL 604 HG11 VAL 604 1.803 -6.394 -2.829 156 HG12 VAL 604 HG12 VAL 604 0.927 -6.059 -1.332 157 HG13 VAL 604 HG13 VAL 604 1.269 -7.721 -1.797 158 HG21 VAL 604 HG21 VAL 604 3.509 -4.912 -2.167 159 HG22 VAL 604 HG22 VAL 604 4.261 -6.417 -2.726 160 HG23 VAL 604 HG23 VAL 604 4.838 -5.640 -1.243 161 H HIS 605 H HIS 605 2.562 -8.107 1.849 162 HA HIS 605 HA HIS 605 -0.303 -8.095 2.096 163 HB2 HIS 605 HB2 HIS 605 1.072 -10.186 2.092 164 HB3 HIS 605 HB3 HIS 605 1.718 -9.723 3.661 165 HD1 HIS 605 HD1 HIS 605 -1.740 -10.297 2.154 166 HD2 HIS 605 HD2 HIS 605 0.359 -10.885 5.693 167 HE1 HIS 605 HE1 HIS 605 -3.340 -11.472 3.699 168 HE2 HIS 605 HE2 HIS 605 -2.071 -11.761 5.856 169 H LYS 606 H LYS 606 2.256 -6.564 3.708 170 HA LYS 606 HA LYS 606 0.885 -6.074 6.238 171 HB2 LYS 606 HB2 LYS 606 3.319 -6.338 6.215 172 HB3 LYS 606 HB3 LYS 606 3.472 -5.047 5.038 173 HG2 LYS 606 HG2 LYS 606 2.739 -3.419 6.702 174 HG3 LYS 606 HG3 LYS 606 2.526 -4.711 7.882 175 HD2 LYS 606 HD2 LYS 606 4.873 -5.240 7.811 176 HD3 LYS 606 HD3 LYS 606 5.139 -4.002 6.573 177 HE2 LYS 606 HE2 LYS 606 4.410 -2.272 8.153 178 HE3 LYS 606 HE3 LYS 606 4.149 -3.503 9.369 179 HZ1 LYS 606 HZ1 LYS 606 6.503 -4.017 9.336 180 HZ2 LYS 606 HZ2 LYS 606 6.255 -2.384 9.700 181 HZ3 LYS 606 HZ3 LYS 606 6.762 -2.836 8.151 182 H LEU 607 H LEU 607 1.349 -4.786 3.149 183 HA LEU 607 HA LEU 607 0.585 -2.056 3.658 184 HB2 LEU 607 HB2 LEU 607 2.425 -2.663 2.227 185 HB3 LEU 607 HB3 LEU 607 1.374 -3.650 1.264 186 HG LEU 607 HG LEU 607 0.332 -1.675 0.293 187 HD11 LEU 607 HD11 LEU 607 0.410 -0.090 2.146 188 HD12 LEU 607 HD12 LEU 607 1.208 0.573 0.712 189 HD13 LEU 607 HD13 LEU 607 2.173 -0.056 2.052 190 HD21 LEU 607 HD21 LEU 607 2.193 -0.932 -0.961 191 HD22 LEU 607 HD22 LEU 607 2.473 -2.623 -0.546 192 HD23 LEU 607 HD23 LEU 607 3.305 -1.346 0.340 193 H VAL 608 H VAL 608 -0.722 -4.917 2.013 194 HA VAL 608 HA VAL 608 -3.149 -3.635 1.122 195 HB VAL 608 HB VAL 608 -2.308 -6.556 1.178 196 HG11 VAL 608 HG11 VAL 608 -4.809 -5.332 0.024 197 HG12 VAL 608 HG12 VAL 608 -4.702 -6.580 1.267 198 HG13 VAL 608 HG13 VAL 608 -4.214 -6.937 -0.392 199 HG21 VAL 608 HG21 VAL 608 -1.076 -5.121 -0.391 200 HG22 VAL 608 HG22 VAL 608 -2.604 -4.625 -1.126 201 HG23 VAL 608 HG23 VAL 608 -2.079 -6.304 -1.232 202 H GLN 609 H GLN 609 -2.159 -5.242 4.059 203 HA GLN 609 HA GLN 609 -4.840 -5.783 4.968 204 HB2 GLN 609 HB2 GLN 609 -2.180 -6.021 6.340 205 HB3 GLN 609 HB3 GLN 609 -3.701 -6.332 7.161 206 HG2 GLN 609 HG2 GLN 609 -2.680 -7.786 4.741 207 HG3 GLN 609 HG3 GLN 609 -2.619 -8.344 6.406 208 HE21 GLN 609 HE21 GLN 609 -4.134 -8.951 3.684 209 HE22 GLN 609 HE22 GLN 609 -5.719 -9.346 4.244 210 H ALA 610 H ALA 610 -2.521 -3.232 5.257 211 HA ALA 610 HA ALA 610 -3.851 -1.759 7.316 212 HB1 ALA 610 HB1 ALA 610 -1.821 -0.943 5.246 213 HB2 ALA 610 HB2 ALA 610 -1.500 -1.431 6.911 214 HB3 ALA 610 HB3 ALA 610 -2.358 0.076 6.581 215 H ILE 611 H ILE 611 -4.084 -1.931 3.819 216 HA ILE 611 HA ILE 611 -5.790 0.399 3.615 217 HB ILE 611 HB ILE 611 -5.095 -1.643 1.470 218 HG12 ILE 611 HG12 ILE 611 -3.989 1.139 1.876 219 HG13 ILE 611 HG13 ILE 611 -3.161 -0.314 2.378 220 HG21 ILE 611 HG21 ILE 611 -7.146 -0.513 0.902 221 HG22 ILE 611 HG22 ILE 611 -5.848 0.167 -0.078 222 HG23 ILE 611 HG23 ILE 611 -6.445 1.050 1.320 223 HD11 ILE 611 HD11 ILE 611 -2.979 -1.030 0.057 224 HD12 ILE 611 HD12 ILE 611 -2.270 0.567 0.279 225 HD13 ILE 611 HD13 ILE 611 -3.863 0.405 -0.462 226 H PHE 612 H PHE 612 -6.255 -3.124 2.933 227 HA PHE 612 HA PHE 612 -8.844 -2.912 4.263 228 HB2 PHE 612 HB2 PHE 612 -9.230 -2.825 1.787 229 HB3 PHE 612 HB3 PHE 612 -8.466 -4.403 1.643 230 HD1 PHE 612 HD1 PHE 612 -11.482 -2.637 2.234 231 HD2 PHE 612 HD2 PHE 612 -9.527 -6.347 2.895 232 HE1 PHE 612 HE1 PHE 612 -13.667 -3.705 2.657 233 HE2 PHE 612 HE2 PHE 612 -11.702 -7.431 3.314 234 HZ PHE 612 HZ PHE 612 -13.775 -6.106 3.194 235 HA PRO 613 HA PRO 613 -6.840 -6.625 6.054 236 HB2 PRO 613 HB2 PRO 613 -8.053 -6.445 8.469 237 HB3 PRO 613 HB3 PRO 613 -6.638 -5.489 8.051 238 HG2 PRO 613 HG2 PRO 613 -9.438 -4.680 8.115 239 HG3 PRO 613 HG3 PRO 613 -8.117 -3.815 8.529 240 HD2 PRO 613 HD2 PRO 613 -9.405 -3.527 6.321 241 HD3 PRO 613 HD3 PRO 613 -7.853 -3.073 6.544 242 H THR 614 H THR 614 -7.587 -8.664 5.772 243 HA THR 614 HA THR 614 -10.324 -9.332 6.360 244 HB THR 614 HB THR 614 -10.666 -8.615 4.117 245 HG1 THR 614 HG1 THR 614 -11.637 -10.453 3.347 246 HG21 THR 614 HG21 THR 614 -8.363 -8.841 3.276 247 HG22 THR 614 HG22 THR 614 -9.536 -9.584 2.191 248 HG23 THR 614 HG23 THR 614 -8.557 -10.593 3.255 249 HA PRO 615 HA PRO 615 -8.439 -13.227 7.762 250 HB2 PRO 615 HB2 PRO 615 -11.301 -13.927 7.406 251 HB3 PRO 615 HB3 PRO 615 -10.220 -14.340 8.719 252 HG2 PRO 615 HG2 PRO 615 -11.913 -12.428 9.064 253 HG3 PRO 615 HG3 PRO 615 -10.383 -12.201 9.587 254 HD2 PRO 615 HD2 PRO 615 -11.597 -11.081 7.201 255 HD3 PRO 615 HD3 PRO 615 -10.533 -10.348 8.200 256 H ASP 616 H ASP 616 -11.035 -13.278 5.351 257 HA ASP 616 HA ASP 616 -10.256 -15.733 4.140 258 HB2 ASP 616 HB2 ASP 616 -12.589 -14.763 4.147 259 HB3 ASP 616 HB3 ASP 616 -12.042 -13.624 2.923 260 HA PRO 617 HA PRO 617 -7.038 -14.024 1.386 261 HB2 PRO 617 HB2 PRO 617 -6.336 -16.408 0.300 262 HB3 PRO 617 HB3 PRO 617 -5.757 -15.873 1.881 263 HG2 PRO 617 HG2 PRO 617 -8.017 -17.664 1.300 264 HG3 PRO 617 HG3 PRO 617 -6.791 -17.905 2.352 265 HD2 PRO 617 HD2 PRO 617 -9.041 -16.973 3.288 266 HD3 PRO 617 HD3 PRO 617 -7.652 -16.347 3.874 267 H ALA 618 H ALA 618 -10.017 -15.541 0.708 268 HA ALA 618 HA ALA 618 -9.766 -15.873 -2.123 269 HB1 ALA 618 HB1 ALA 618 -12.137 -16.395 -2.075 270 HB2 ALA 618 HB2 ALA 618 -12.256 -15.785 -0.424 271 HB3 ALA 618 HB3 ALA 618 -11.295 -17.224 -0.766 272 H ALA 619 H ALA 619 -10.217 -13.121 -0.214 273 HA ALA 619 HA ALA 619 -11.808 -11.599 -2.096 274 HB1 ALA 619 HB1 ALA 619 -11.896 -11.214 0.361 275 HB2 ALA 619 HB2 ALA 619 -11.533 -9.760 -0.575 276 HB3 ALA 619 HB3 ALA 619 -10.240 -10.606 0.276 277 H LEU 620 H LEU 620 -8.540 -12.444 -1.787 278 HA LEU 620 HA LEU 620 -7.448 -10.042 -2.965 279 HB2 LEU 620 HB2 LEU 620 -6.190 -12.654 -2.121 280 HB3 LEU 620 HB3 LEU 620 -5.287 -11.335 -2.815 281 HG LEU 620 HG LEU 620 -6.697 -11.350 -0.140 282 HD11 LEU 620 HD11 LEU 620 -4.598 -12.602 -0.182 283 HD12 LEU 620 HD12 LEU 620 -4.502 -11.163 0.832 284 HD13 LEU 620 HD13 LEU 620 -3.758 -11.165 -0.765 285 HD21 LEU 620 HD21 LEU 620 -5.124 -9.100 -1.384 286 HD22 LEU 620 HD22 LEU 620 -5.786 -9.132 0.250 287 HD23 LEU 620 HD23 LEU 620 -6.870 -9.131 -1.139 288 H LYS 621 H LYS 621 -9.079 -12.572 -4.240 289 HA LYS 621 HA LYS 621 -7.421 -12.794 -6.660 290 HB2 LYS 621 HB2 LYS 621 -9.690 -14.577 -5.729 291 HB3 LYS 621 HB3 LYS 621 -8.685 -14.846 -7.138 292 HG2 LYS 621 HG2 LYS 621 -7.708 -14.880 -4.280 293 HG3 LYS 621 HG3 LYS 621 -8.096 -16.304 -5.242 294 HD2 LYS 621 HD2 LYS 621 -6.307 -15.759 -6.807 295 HD3 LYS 621 HD3 LYS 621 -5.936 -14.285 -5.915 296 HE2 LYS 621 HE2 LYS 621 -5.387 -15.702 -3.960 297 HE3 LYS 621 HE3 LYS 621 -5.659 -17.129 -4.946 298 HZ1 LYS 621 HZ1 LYS 621 -3.596 -15.050 -5.447 299 HZ2 LYS 621 HZ2 LYS 621 -3.863 -16.417 -6.406 300 HZ3 LYS 621 HZ3 LYS 621 -3.312 -16.596 -4.818 301 H ASP 622 H ASP 622 -9.509 -10.708 -5.726 302 HA ASP 622 HA ASP 622 -11.597 -10.917 -7.733 303 HB2 ASP 622 HB2 ASP 622 -11.896 -10.121 -5.307 304 HB3 ASP 622 HB3 ASP 622 -11.146 -8.619 -5.830 305 H ARG 623 H ARG 623 -12.091 -9.092 -9.162 306 HA ARG 623 HA ARG 623 -9.799 -8.266 -10.656 307 HB2 ARG 623 HB2 ARG 623 -11.873 -8.893 -11.773 308 HB3 ARG 623 HB3 ARG 623 -12.743 -7.606 -10.953 309 HG2 ARG 623 HG2 ARG 623 -12.329 -6.999 -13.249 310 HG3 ARG 623 HG3 ARG 623 -11.397 -5.954 -12.175 311 HD2 ARG 623 HD2 ARG 623 -9.409 -7.374 -12.584 312 HD3 ARG 623 HD3 ARG 623 -10.360 -8.335 -13.714 313 HE ARG 623 HE ARG 623 -10.623 -5.859 -14.719 314 HH11 ARG 623 HH11 ARG 623 -7.754 -7.626 -13.721 315 HH12 ARG 623 HH12 ARG 623 -6.724 -6.823 -14.858 316 HH21 ARG 623 HH21 ARG 623 -9.255 -4.821 -16.199 317 HH22 ARG 623 HH22 ARG 623 -7.574 -5.237 -16.260 318 H ARG 624 H ARG 624 -12.301 -6.463 -8.866 319 HA ARG 624 HA ARG 624 -11.285 -3.881 -9.113 320 HB2 ARG 624 HB2 ARG 624 -12.896 -5.121 -6.874 321 HB3 ARG 624 HB3 ARG 624 -12.548 -3.404 -6.975 322 HG2 ARG 624 HG2 ARG 624 -14.280 -3.085 -8.329 323 HG3 ARG 624 HG3 ARG 624 -13.680 -4.295 -9.459 324 HD2 ARG 624 HD2 ARG 624 -14.775 -6.056 -8.167 325 HD3 ARG 624 HD3 ARG 624 -15.344 -4.862 -7.001 326 HE ARG 624 HE ARG 624 -16.244 -4.074 -9.516 327 HH11 ARG 624 HH11 ARG 624 -16.793 -6.752 -7.308 328 HH12 ARG 624 HH12 ARG 624 -18.409 -7.031 -7.868 329 HH21 ARG 624 HH21 ARG 624 -18.360 -4.456 -10.230 330 HH22 ARG 624 HH22 ARG 624 -19.293 -5.731 -9.519 331 H MET 625 H MET 625 -10.288 -6.448 -6.975 332 HA MET 625 HA MET 625 -8.798 -4.760 -5.159 333 HB2 MET 625 HB2 MET 625 -9.919 -6.844 -4.436 334 HB3 MET 625 HB3 MET 625 -8.851 -7.767 -5.486 335 HG2 MET 625 HG2 MET 625 -8.115 -7.898 -3.178 336 HG3 MET 625 HG3 MET 625 -6.926 -7.044 -4.159 337 HE1 MET 625 HE1 MET 625 -9.006 -7.120 -1.096 338 HE2 MET 625 HE2 MET 625 -10.204 -6.203 -2.017 339 HE3 MET 625 HE3 MET 625 -9.358 -5.442 -0.670 340 H GLU 626 H GLU 626 -8.081 -6.876 -7.898 341 HA GLU 626 HA GLU 626 -5.314 -7.036 -7.648 342 HB2 GLU 626 HB2 GLU 626 -7.252 -7.468 -9.846 343 HB3 GLU 626 HB3 GLU 626 -5.565 -7.283 -10.303 344 HG2 GLU 626 HG2 GLU 626 -5.980 -9.130 -8.074 345 HG3 GLU 626 HG3 GLU 626 -6.774 -9.627 -9.569 346 H ASN 627 H ASN 627 -7.248 -4.367 -8.738 347 HA ASN 627 HA ASN 627 -5.140 -2.949 -10.090 348 HB2 ASN 627 HB2 ASN 627 -7.837 -2.058 -9.052 349 HB3 ASN 627 HB3 ASN 627 -6.725 -0.986 -9.897 350 HD21 ASN 627 HD21 ASN 627 -9.351 -1.652 -10.725 351 HD22 ASN 627 HD22 ASN 627 -9.233 -2.475 -12.239 352 H LEU 628 H LEU 628 -6.231 -3.252 -6.816 353 HA LEU 628 HA LEU 628 -4.631 -1.047 -5.813 354 HB2 LEU 628 HB2 LEU 628 -6.250 -3.179 -4.395 355 HB3 LEU 628 HB3 LEU 628 -5.423 -1.866 -3.579 356 HG LEU 628 HG LEU 628 -7.805 -1.623 -5.437 357 HD11 LEU 628 HD11 LEU 628 -7.403 -1.434 -2.484 358 HD12 LEU 628 HD12 LEU 628 -8.606 -2.355 -3.396 359 HD13 LEU 628 HD13 LEU 628 -8.737 -0.596 -3.284 360 HD21 LEU 628 HD21 LEU 628 -7.846 0.751 -4.820 361 HD22 LEU 628 HD22 LEU 628 -6.414 0.326 -5.755 362 HD23 LEU 628 HD23 LEU 628 -6.291 0.557 -4.010 363 H VAL 629 H VAL 629 -4.591 -4.601 -5.773 364 HA VAL 629 HA VAL 629 -2.247 -5.097 -4.341 365 HB VAL 629 HB VAL 629 -3.509 -6.589 -6.654 366 HG11 VAL 629 HG11 VAL 629 -1.305 -7.621 -4.869 367 HG12 VAL 629 HG12 VAL 629 -1.163 -7.243 -6.589 368 HG13 VAL 629 HG13 VAL 629 -2.209 -8.563 -6.060 369 HG21 VAL 629 HG21 VAL 629 -3.530 -7.137 -3.692 370 HG22 VAL 629 HG22 VAL 629 -4.351 -8.088 -4.930 371 HG23 VAL 629 HG23 VAL 629 -4.853 -6.425 -4.616 372 H ALA 630 H ALA 630 -2.714 -4.101 -7.676 373 HA ALA 630 HA ALA 630 0.048 -4.319 -8.438 374 HB1 ALA 630 HB1 ALA 630 -0.704 -3.252 -10.520 375 HB2 ALA 630 HB2 ALA 630 -2.290 -2.979 -9.792 376 HB3 ALA 630 HB3 ALA 630 -1.718 -4.625 -10.067 377 H TYR 631 H TYR 631 -1.920 -1.951 -6.891 378 HA TYR 631 HA TYR 631 -0.192 0.302 -7.307 379 HB2 TYR 631 HB2 TYR 631 -2.448 -0.244 -5.357 380 HB3 TYR 631 HB3 TYR 631 -1.553 1.265 -5.365 381 HD1 TYR 631 HD1 TYR 631 -4.390 1.460 -5.605 382 HD2 TYR 631 HD2 TYR 631 -1.536 0.662 -8.678 383 HE1 TYR 631 HE1 TYR 631 -5.921 2.408 -7.282 384 HE2 TYR 631 HE2 TYR 631 -3.072 1.600 -10.353 385 HH TYR 631 HH TYR 631 -5.816 3.409 -9.524 386 H ALA 632 H ALA 632 -0.502 -2.233 -4.876 387 HA ALA 632 HA ALA 632 1.452 -1.051 -3.092 388 HB1 ALA 632 HB1 ALA 632 1.168 -3.195 -1.844 389 HB2 ALA 632 HB2 ALA 632 -0.049 -3.650 -3.044 390 HB3 ALA 632 HB3 ALA 632 -0.295 -2.222 -2.034 391 H LYS 633 H LYS 633 1.292 -3.699 -5.431 392 HA LYS 633 HA LYS 633 3.843 -4.828 -4.973 393 HB2 LYS 633 HB2 LYS 633 1.784 -4.922 -7.133 394 HB3 LYS 633 HB3 LYS 633 3.396 -5.495 -7.523 395 HG2 LYS 633 HG2 LYS 633 3.259 -7.144 -5.725 396 HG3 LYS 633 HG3 LYS 633 1.658 -6.553 -5.307 397 HD2 LYS 633 HD2 LYS 633 0.794 -7.235 -7.454 398 HD3 LYS 633 HD3 LYS 633 2.396 -7.733 -7.968 399 HE2 LYS 633 HE2 LYS 633 2.404 -9.576 -6.511 400 HE3 LYS 633 HE3 LYS 633 1.090 -8.919 -5.538 401 HZ1 LYS 633 HZ1 LYS 633 0.332 -10.746 -6.917 402 HZ2 LYS 633 HZ2 LYS 633 0.848 -9.950 -8.317 403 HZ3 LYS 633 HZ3 LYS 633 -0.418 -9.308 -7.398 404 H LYS 634 H LYS 634 2.821 -1.960 -6.533 405 HA LYS 634 HA LYS 634 5.115 -1.642 -8.271 406 HB2 LYS 634 HB2 LYS 634 2.859 -0.908 -8.958 407 HB3 LYS 634 HB3 LYS 634 2.825 0.228 -7.623 408 HG2 LYS 634 HG2 LYS 634 4.823 1.354 -8.666 409 HG3 LYS 634 HG3 LYS 634 4.575 0.324 -10.073 410 HD2 LYS 634 HD2 LYS 634 2.280 1.263 -10.294 411 HD3 LYS 634 HD3 LYS 634 2.626 2.349 -8.952 412 HE2 LYS 634 HE2 LYS 634 4.144 2.292 -11.567 413 HE3 LYS 634 HE3 LYS 634 2.856 3.429 -11.177 414 HZ1 LYS 634 HZ1 LYS 634 5.478 3.182 -9.803 415 HZ2 LYS 634 HZ2 LYS 634 4.229 4.200 -9.297 416 HZ3 LYS 634 HZ3 LYS 634 4.971 4.454 -10.795 417 H VAL 635 H VAL 635 4.012 -0.422 -5.136 418 HA VAL 635 HA VAL 635 5.795 1.810 -5.100 419 HB VAL 635 HB VAL 635 3.999 0.637 -2.994 420 HG11 VAL 635 HG11 VAL 635 5.884 1.317 -1.723 421 HG12 VAL 635 HG12 VAL 635 4.644 2.565 -1.538 422 HG13 VAL 635 HG13 VAL 635 6.019 2.831 -2.615 423 HG21 VAL 635 HG21 VAL 635 2.840 2.000 -4.587 424 HG22 VAL 635 HG22 VAL 635 4.022 3.301 -4.421 425 HG23 VAL 635 HG23 VAL 635 2.956 2.898 -3.073 426 H GLU 636 H GLU 636 5.876 -1.375 -3.529 427 HA GLU 636 HA GLU 636 8.061 -1.024 -1.816 428 HB2 GLU 636 HB2 GLU 636 6.500 -2.923 -1.759 429 HB3 GLU 636 HB3 GLU 636 7.174 -3.530 -3.262 430 HG2 GLU 636 HG2 GLU 636 9.001 -3.104 -0.956 431 HG3 GLU 636 HG3 GLU 636 7.917 -4.479 -0.930 432 H GLY 637 H GLY 637 7.996 -1.633 -5.290 433 HA2 GLY 637 HA2 GLY 637 10.723 -2.432 -5.594 434 HA3 GLY 637 HA3 GLY 637 9.647 -1.904 -6.877 435 H ASP 638 H ASP 638 9.147 0.673 -5.429 436 HA ASP 638 HA ASP 638 11.460 2.151 -6.378 437 HB2 ASP 638 HB2 ASP 638 8.793 2.994 -5.235 438 HB3 ASP 638 HB3 ASP 638 10.068 4.148 -5.609 439 H MET 639 H MET 639 10.308 0.883 -3.407 440 HA MET 639 HA MET 639 11.567 2.684 -1.594 441 HB2 MET 639 HB2 MET 639 10.632 -0.166 -1.234 442 HB3 MET 639 HB3 MET 639 11.206 0.873 0.073 443 HG2 MET 639 HG2 MET 639 9.399 2.458 -0.527 444 HG3 MET 639 HG3 MET 639 8.776 1.267 -1.648 445 HE1 MET 639 HE1 MET 639 9.306 -1.417 -0.104 446 HE2 MET 639 HE2 MET 639 8.943 -1.427 1.627 447 HE3 MET 639 HE3 MET 639 10.371 -0.586 1.028 448 H TYR 640 H TYR 640 12.566 -0.316 -3.167 449 HA TYR 640 HA TYR 640 15.020 -0.621 -1.708 450 HB2 TYR 640 HB2 TYR 640 15.035 -2.651 -2.681 451 HB3 TYR 640 HB3 TYR 640 13.467 -2.227 -3.368 452 HD1 TYR 640 HD1 TYR 640 17.129 -1.977 -4.087 453 HD2 TYR 640 HD2 TYR 640 13.188 -2.227 -5.678 454 HE1 TYR 640 HE1 TYR 640 18.060 -2.186 -6.353 455 HE2 TYR 640 HE2 TYR 640 14.110 -2.438 -7.949 456 HH TYR 640 HH TYR 640 16.157 -1.899 -9.157 457 H GLU 641 H GLU 641 13.999 1.132 -4.510 458 HA GLU 641 HA GLU 641 16.647 1.639 -5.519 459 HB2 GLU 641 HB2 GLU 641 13.840 2.298 -6.372 460 HB3 GLU 641 HB3 GLU 641 15.231 2.988 -7.181 461 HG2 GLU 641 HG2 GLU 641 15.992 0.674 -7.524 462 HG3 GLU 641 HG3 GLU 641 14.403 0.118 -7.028 463 H SER 642 H SER 642 14.276 3.142 -3.444 464 HA SER 642 HA SER 642 15.567 5.763 -3.630 465 HB2 SER 642 HB2 SER 642 13.641 6.584 -2.326 466 HB3 SER 642 HB3 SER 642 13.122 5.722 -3.774 467 HG SER 642 HG SER 642 11.880 4.927 -2.156 468 H ALA 643 H ALA 643 14.890 3.225 -1.237 469 HA ALA 643 HA ALA 643 16.156 4.741 0.894 470 HB1 ALA 643 HB1 ALA 643 15.510 2.881 2.340 471 HB2 ALA 643 HB2 ALA 643 14.964 1.972 0.930 472 HB3 ALA 643 HB3 ALA 643 14.143 3.461 1.390 473 H ASN 644 H ASN 644 18.081 4.296 1.866 474 HA ASN 644 HA ASN 644 19.836 2.339 0.529 475 HB2 ASN 644 HB2 ASN 644 20.496 4.902 2.007 476 HB3 ASN 644 HB3 ASN 644 21.705 3.771 1.416 477 HD21 ASN 644 HD21 ASN 644 19.836 6.467 0.704 478 HD22 ASN 644 HD22 ASN 644 20.149 6.558 -0.995 479 H SER 645 H SER 645 18.065 2.750 3.308 480 HA SER 645 HA SER 645 19.878 1.071 4.908 481 HB2 SER 645 HB2 SER 645 18.335 3.507 5.849 482 HB3 SER 645 HB3 SER 645 19.130 2.367 6.932 483 HG SER 645 HG SER 645 20.215 4.320 5.297 484 H ARG 646 H ARG 646 18.796 -0.158 6.593 485 HA ARG 646 HA ARG 646 16.460 -1.460 5.603 486 HB2 ARG 646 HB2 ARG 646 18.328 -2.631 6.742 487 HB3 ARG 646 HB3 ARG 646 17.916 -1.818 8.238 488 HG2 ARG 646 HG2 ARG 646 15.691 -2.984 8.156 489 HG3 ARG 646 HG3 ARG 646 16.294 -3.900 6.779 490 HD2 ARG 646 HD2 ARG 646 16.564 -5.243 8.746 491 HD3 ARG 646 HD3 ARG 646 18.161 -4.710 8.228 492 HE ARG 646 HE ARG 646 18.353 -3.467 10.150 493 HH11 ARG 646 HH11 ARG 646 15.022 -4.557 9.880 494 HH12 ARG 646 HH12 ARG 646 14.608 -4.045 11.482 495 HH21 ARG 646 HH21 ARG 646 17.787 -2.806 12.239 496 HH22 ARG 646 HH22 ARG 646 16.172 -3.056 12.814 497 H ASP 647 H ASP 647 17.028 0.952 8.088 498 HA ASP 647 HA ASP 647 14.396 0.701 9.263 499 HB2 ASP 647 HB2 ASP 647 16.678 2.644 9.669 500 HB3 ASP 647 HB3 ASP 647 15.131 2.829 10.485 501 H GLU 648 H GLU 648 15.851 2.516 6.680 502 HA GLU 648 HA GLU 648 13.665 4.424 6.491 503 HB2 GLU 648 HB2 GLU 648 16.080 3.933 4.719 504 HB3 GLU 648 HB3 GLU 648 14.903 5.208 4.450 505 HG2 GLU 648 HG2 GLU 648 16.683 4.946 6.871 506 HG3 GLU 648 HG3 GLU 648 16.946 6.042 5.519 507 H TYR 649 H TYR 649 14.865 1.562 4.798 508 HA TYR 649 HA TYR 649 13.098 1.458 2.647 509 HB2 TYR 649 HB2 TYR 649 15.070 0.050 2.778 510 HB3 TYR 649 HB3 TYR 649 14.460 -0.750 4.215 511 HD1 TYR 649 HD1 TYR 649 13.631 -0.255 0.588 512 HD2 TYR 649 HD2 TYR 649 13.379 -2.771 4.014 513 HE1 TYR 649 HE1 TYR 649 12.637 -2.072 -0.797 514 HE2 TYR 649 HE2 TYR 649 12.400 -4.546 2.651 515 HH TYR 649 HH TYR 649 12.397 -4.588 -0.639 516 H TYR 650 H TYR 650 12.764 -0.097 5.843 517 HA TYR 650 HA TYR 650 10.111 -1.002 5.370 518 HB2 TYR 650 HB2 TYR 650 11.718 -0.803 7.920 519 HB3 TYR 650 HB3 TYR 650 10.150 -1.594 7.799 520 HD1 TYR 650 HD1 TYR 650 13.239 -2.538 8.370 521 HD2 TYR 650 HD2 TYR 650 10.409 -3.030 5.227 522 HE1 TYR 650 HE1 TYR 650 14.327 -4.631 7.729 523 HE2 TYR 650 HE2 TYR 650 11.509 -5.128 4.567 524 HH TYR 650 HH TYR 650 13.801 -6.698 6.522 525 H HIS 651 H HIS 651 11.312 2.065 6.332 526 HA HIS 651 HA HIS 651 9.013 2.826 7.924 527 HB2 HIS 651 HB2 HIS 651 11.125 3.816 8.532 528 HB3 HIS 651 HB3 HIS 651 11.391 4.383 6.890 529 HD1 HIS 651 HD1 HIS 651 8.893 4.986 9.702 530 HD2 HIS 651 HD2 HIS 651 10.698 6.989 6.538 531 HE1 HIS 651 HE1 HIS 651 8.084 7.361 9.860 532 HE2 HIS 651 HE2 HIS 651 9.145 8.543 7.904 533 H LEU 652 H LEU 652 10.267 3.648 4.704 534 HA LEU 652 HA LEU 652 8.433 5.502 3.838 535 HB2 LEU 652 HB2 LEU 652 9.869 3.342 2.372 536 HB3 LEU 652 HB3 LEU 652 8.938 4.561 1.555 537 HG LEU 652 HG LEU 652 11.376 5.103 3.254 538 HD11 LEU 652 HD11 LEU 652 12.008 4.017 1.155 539 HD12 LEU 652 HD12 LEU 652 12.490 5.712 1.168 540 HD13 LEU 652 HD13 LEU 652 11.068 5.207 0.256 541 HD21 LEU 652 HD21 LEU 652 11.145 7.363 2.173 542 HD22 LEU 652 HD22 LEU 652 9.921 6.946 3.376 543 HD23 LEU 652 HD23 LEU 652 9.537 6.845 1.660 544 H LEU 653 H LEU 653 8.130 1.987 3.745 545 HA LEU 653 HA LEU 653 5.569 1.917 2.477 546 HB2 LEU 653 HB2 LEU 653 7.089 0.000 2.431 547 HB3 LEU 653 HB3 LEU 653 6.945 -0.166 4.166 548 HG LEU 653 HG LEU 653 4.324 -0.285 3.097 549 HD11 LEU 653 HD11 LEU 653 5.305 -0.794 0.956 550 HD12 LEU 653 HD12 LEU 653 4.541 -2.227 1.638 551 HD13 LEU 653 HD13 LEU 653 6.297 -2.055 1.689 552 HD21 LEU 653 HD21 LEU 653 5.335 -1.392 5.149 553 HD22 LEU 653 HD22 LEU 653 5.952 -2.618 4.040 554 HD23 LEU 653 HD23 LEU 653 4.213 -2.349 4.186 555 H ALA 654 H ALA 654 6.635 1.828 5.859 556 HA ALA 654 HA ALA 654 4.063 1.504 7.030 557 HB1 ALA 654 HB1 ALA 654 6.539 2.739 8.231 558 HB2 ALA 654 HB2 ALA 654 6.140 1.020 8.236 559 HB3 ALA 654 HB3 ALA 654 5.121 2.165 9.109 560 H GLU 655 H GLU 655 5.818 4.232 5.781 561 HA GLU 655 HA GLU 655 4.187 6.268 6.951 562 HB2 GLU 655 HB2 GLU 655 6.473 6.744 6.146 563 HB3 GLU 655 HB3 GLU 655 5.959 6.411 4.500 564 HG2 GLU 655 HG2 GLU 655 4.433 8.321 4.588 565 HG3 GLU 655 HG3 GLU 655 4.947 8.646 6.248 566 H LYS 656 H LYS 656 4.161 4.626 3.783 567 HA LYS 656 HA LYS 656 1.900 6.036 2.770 568 HB2 LYS 656 HB2 LYS 656 2.987 3.317 2.049 569 HB3 LYS 656 HB3 LYS 656 1.627 4.042 1.235 570 HG2 LYS 656 HG2 LYS 656 3.493 6.008 0.970 571 HG3 LYS 656 HG3 LYS 656 4.504 4.567 0.934 572 HD2 LYS 656 HD2 LYS 656 3.357 3.706 -0.970 573 HD3 LYS 656 HD3 LYS 656 2.074 4.905 -0.825 574 HE2 LYS 656 HE2 LYS 656 3.508 5.533 -2.646 575 HE3 LYS 656 HE3 LYS 656 3.751 6.677 -1.325 576 HZ1 LYS 656 HZ1 LYS 656 5.513 4.368 -1.947 577 HZ2 LYS 656 HZ2 LYS 656 5.755 5.489 -0.704 578 HZ3 LYS 656 HZ3 LYS 656 5.846 5.985 -2.319 579 H ILE 657 H ILE 657 2.331 3.468 5.009 580 HA ILE 657 HA ILE 657 -0.275 2.301 4.837 581 HB ILE 657 HB ILE 657 2.119 2.002 6.587 582 HG12 ILE 657 HG12 ILE 657 0.244 -0.039 5.361 583 HG13 ILE 657 HG13 ILE 657 1.646 0.632 4.548 584 HG21 ILE 657 HG21 ILE 657 0.223 2.301 8.226 585 HG22 ILE 657 HG22 ILE 657 1.120 0.784 8.347 586 HG23 ILE 657 HG23 ILE 657 -0.464 0.809 7.573 587 HD11 ILE 657 HD11 ILE 657 1.713 -1.050 7.056 588 HD12 ILE 657 HD12 ILE 657 3.115 -0.419 6.192 589 HD13 ILE 657 HD13 ILE 657 2.073 -1.616 5.425 590 H TYR 658 H TYR 658 1.157 4.948 6.622 591 HA TYR 658 HA TYR 658 -1.133 5.307 8.350 592 HB2 TYR 658 HB2 TYR 658 1.412 6.885 7.962 593 HB3 TYR 658 HB3 TYR 658 0.163 7.346 9.103 594 HD1 TYR 658 HD1 TYR 658 3.264 6.201 9.205 595 HD2 TYR 658 HD2 TYR 658 -0.601 4.818 10.335 596 HE1 TYR 658 HE1 TYR 658 4.285 4.751 10.910 597 HE2 TYR 658 HE2 TYR 658 0.412 3.367 12.042 598 HH TYR 658 HH TYR 658 3.644 3.655 13.019 599 H LYS 659 H LYS 659 0.160 6.686 5.390 600 HA LYS 659 HA LYS 659 -1.460 9.045 5.378 601 HB2 LYS 659 HB2 LYS 659 0.706 8.933 4.219 602 HB3 LYS 659 HB3 LYS 659 0.033 7.781 3.085 603 HG2 LYS 659 HG2 LYS 659 -1.496 9.455 2.244 604 HG3 LYS 659 HG3 LYS 659 -0.929 10.614 3.436 605 HD2 LYS 659 HD2 LYS 659 1.261 10.690 2.375 606 HD3 LYS 659 HD3 LYS 659 0.798 9.408 1.264 607 HE2 LYS 659 HE2 LYS 659 -0.856 10.869 0.272 608 HE3 LYS 659 HE3 LYS 659 -0.446 12.156 1.396 609 HZ1 LYS 659 HZ1 LYS 659 1.750 12.270 0.422 610 HZ2 LYS 659 HZ2 LYS 659 0.586 12.447 -0.794 611 HZ3 LYS 659 HZ3 LYS 659 1.404 10.977 -0.614 612 H ILE 660 H ILE 660 -1.804 5.847 3.980 613 HA ILE 660 HA ILE 660 -4.135 6.505 2.413 614 HB ILE 660 HB ILE 660 -2.988 3.813 3.237 615 HG12 ILE 660 HG12 ILE 660 -3.007 5.173 0.526 616 HG13 ILE 660 HG13 ILE 660 -1.644 5.223 1.637 617 HG21 ILE 660 HG21 ILE 660 -5.299 4.442 1.399 618 HG22 ILE 660 HG22 ILE 660 -5.342 3.507 2.895 619 HG23 ILE 660 HG23 ILE 660 -4.500 2.873 1.480 620 HD11 ILE 660 HD11 ILE 660 -1.421 2.787 1.472 621 HD12 ILE 660 HD12 ILE 660 -1.299 3.568 -0.107 622 HD13 ILE 660 HD13 ILE 660 -2.790 2.747 0.353 623 H GLN 661 H GLN 661 -3.488 5.351 5.638 624 HA GLN 661 HA GLN 661 -6.143 4.786 6.444 625 HB2 GLN 661 HB2 GLN 661 -3.599 5.416 7.899 626 HB3 GLN 661 HB3 GLN 661 -5.110 5.283 8.780 627 HG2 GLN 661 HG2 GLN 661 -5.378 3.004 8.106 628 HG3 GLN 661 HG3 GLN 661 -4.024 3.114 6.996 629 HE21 GLN 661 HE21 GLN 661 -3.779 1.031 8.541 630 HE22 GLN 661 HE22 GLN 661 -2.706 1.289 9.871 631 H LYS 662 H LYS 662 -4.473 7.756 5.914 632 HA LYS 662 HA LYS 662 -6.073 9.429 7.614 633 HB2 LYS 662 HB2 LYS 662 -4.158 10.016 5.369 634 HB3 LYS 662 HB3 LYS 662 -5.106 11.269 6.139 635 HG2 LYS 662 HG2 LYS 662 -3.147 9.509 7.578 636 HG3 LYS 662 HG3 LYS 662 -2.793 11.116 6.990 637 HD2 LYS 662 HD2 LYS 662 -4.456 12.037 8.508 638 HD3 LYS 662 HD3 LYS 662 -4.878 10.425 9.065 639 HE2 LYS 662 HE2 LYS 662 -2.123 11.525 9.280 640 HE3 LYS 662 HE3 LYS 662 -3.327 11.811 10.518 641 HZ1 LYS 662 HZ1 LYS 662 -2.374 9.144 9.624 642 HZ2 LYS 662 HZ2 LYS 662 -3.552 9.419 10.808 643 HZ3 LYS 662 HZ3 LYS 662 -1.953 9.905 11.076 644 H GLU 663 H GLU 663 -6.158 8.549 4.177 645 HA GLU 663 HA GLU 663 -8.188 10.389 3.455 646 HB2 GLU 663 HB2 GLU 663 -7.133 7.945 2.041 647 HB3 GLU 663 HB3 GLU 663 -8.249 9.084 1.342 648 HG2 GLU 663 HG2 GLU 663 -6.657 10.761 1.184 649 HG3 GLU 663 HG3 GLU 663 -5.589 9.971 2.335 650 H LEU 664 H LEU 664 -8.256 6.896 4.122 651 HA LEU 664 HA LEU 664 -11.034 6.508 3.965 652 HB2 LEU 664 HB2 LEU 664 -9.001 5.086 5.692 653 HB3 LEU 664 HB3 LEU 664 -10.655 4.560 5.505 654 HG LEU 664 HG LEU 664 -8.622 4.666 3.268 655 HD11 LEU 664 HD11 LEU 664 -7.934 2.988 4.829 656 HD12 LEU 664 HD12 LEU 664 -8.618 2.208 3.405 657 HD13 LEU 664 HD13 LEU 664 -9.561 2.310 4.890 658 HD21 LEU 664 HD21 LEU 664 -11.089 4.855 2.680 659 HD22 LEU 664 HD22 LEU 664 -11.213 3.180 3.225 660 HD23 LEU 664 HD23 LEU 664 -10.150 3.592 1.884 661 H GLU 665 H GLU 665 -9.192 8.167 6.346 662 HA GLU 665 HA GLU 665 -11.192 7.950 8.440 663 HB2 GLU 665 HB2 GLU 665 -8.475 9.112 8.167 664 HB3 GLU 665 HB3 GLU 665 -9.515 9.816 9.389 665 HG2 GLU 665 HG2 GLU 665 -9.748 7.609 10.442 666 HG3 GLU 665 HG3 GLU 665 -8.701 6.915 9.211 667 H GLU 666 H GLU 666 -10.366 10.089 5.830 668 HA GLU 666 HA GLU 666 -11.669 12.448 6.705 669 HB2 GLU 666 HB2 GLU 666 -10.011 12.405 4.881 670 HB3 GLU 666 HB3 GLU 666 -11.133 11.492 3.885 671 HG2 GLU 666 HG2 GLU 666 -11.191 13.758 3.171 672 HG3 GLU 666 HG3 GLU 666 -12.706 13.416 3.997 673 H LYS 667 H LYS 667 -12.846 9.511 5.249 674 HA LYS 667 HA LYS 667 -15.472 10.558 4.664 675 HB2 LYS 667 HB2 LYS 667 -14.293 7.805 4.492 676 HB3 LYS 667 HB3 LYS 667 -15.995 8.111 4.207 677 HG2 LYS 667 HG2 LYS 667 -15.055 8.079 2.083 678 HG3 LYS 667 HG3 LYS 667 -15.223 9.789 2.478 679 HD2 LYS 667 HD2 LYS 667 -12.858 9.879 3.104 680 HD3 LYS 667 HD3 LYS 667 -12.697 8.163 2.735 681 HE2 LYS 667 HE2 LYS 667 -13.224 8.583 0.414 682 HE3 LYS 667 HE3 LYS 667 -13.479 10.291 0.760 683 HZ1 LYS 667 HZ1 LYS 667 -11.153 10.488 1.371 684 HZ2 LYS 667 HZ2 LYS 667 -11.299 9.897 -0.207 685 HZ3 LYS 667 HZ3 LYS 667 -10.901 8.843 1.054 686 H ARG 668 H ARG 668 -13.864 9.337 7.373 687 HA ARG 668 HA ARG 668 -16.186 8.228 8.713 688 HB2 ARG 668 HB2 ARG 668 -13.321 8.627 9.600 689 HB3 ARG 668 HB3 ARG 668 -14.554 7.844 10.573 690 HG2 ARG 668 HG2 ARG 668 -14.797 6.109 8.890 691 HG3 ARG 668 HG3 ARG 668 -13.575 6.891 7.892 692 HD2 ARG 668 HD2 ARG 668 -11.929 6.585 9.676 693 HD3 ARG 668 HD3 ARG 668 -13.147 5.782 10.667 694 HE ARG 668 HE ARG 668 -13.109 4.328 8.366 695 HH11 ARG 668 HH11 ARG 668 -10.603 5.249 10.653 696 HH12 ARG 668 HH12 ARG 668 -9.645 3.840 10.341 697 HH21 ARG 668 HH21 ARG 668 -11.839 2.495 7.979 698 HH22 ARG 668 HH22 ARG 668 -10.345 2.284 8.829 699 H ARG 669 H ARG 669 -14.634 11.286 8.471 700 HA ARG 669 HA ARG 669 -15.580 12.289 11.029 701 HB2 ARG 669 HB2 ARG 669 -14.102 13.607 8.743 702 HB3 ARG 669 HB3 ARG 669 -14.564 14.453 10.210 703 HG2 ARG 669 HG2 ARG 669 -13.216 12.738 11.479 704 HG3 ARG 669 HG3 ARG 669 -12.588 12.204 9.919 705 HD2 ARG 669 HD2 ARG 669 -12.504 15.094 10.560 706 HD3 ARG 669 HD3 ARG 669 -11.362 14.042 11.391 707 HE ARG 669 HE ARG 669 -11.439 14.637 8.527 708 HH11 ARG 669 HH11 ARG 669 -9.891 12.889 11.153 709 HH12 ARG 669 HH12 ARG 669 -8.469 12.533 10.231 710 HH21 ARG 669 HH21 ARG 669 -9.567 14.159 7.340 711 HH22 ARG 669 HH22 ARG 669 -8.286 13.253 8.074 712 H SER 670 H SER 670 -16.776 12.027 7.834 713 HA SER 670 HA SER 670 -18.590 14.281 8.000 714 HB2 SER 670 HB2 SER 670 -19.358 13.557 5.782 715 HB3 SER 670 HB3 SER 670 -17.603 13.691 5.844 716 HG SER 670 HG SER 670 -18.531 11.201 6.510 717 H ARG 671 H ARG 671 -18.601 11.212 9.276 718 HA ARG 671 HA ARG 671 -21.479 10.783 9.040 719 HB2 ARG 671 HB2 ARG 671 -19.274 9.077 10.165 720 HB3 ARG 671 HB3 ARG 671 -20.973 8.630 10.209 721 HG2 ARG 671 HG2 ARG 671 -21.049 8.620 7.780 722 HG3 ARG 671 HG3 ARG 671 -19.369 9.149 7.712 723 HD2 ARG 671 HD2 ARG 671 -18.731 7.154 8.949 724 HD3 ARG 671 HD3 ARG 671 -20.392 6.572 8.863 725 HE ARG 671 HE ARG 671 -19.653 7.085 6.263 726 HH11 ARG 671 HH11 ARG 671 -18.443 4.976 8.802 727 HH12 ARG 671 HH12 ARG 671 -17.853 3.788 7.688 728 HH21 ARG 671 HH21 ARG 671 -18.874 5.513 4.828 729 HH22 ARG 671 HH22 ARG 671 -18.098 4.092 5.443 730 H LEU 672 H LEU 672 -19.395 12.390 11.055 731 HA LEU 672 HA LEU 672 -21.182 12.136 13.381 732 HB2 LEU 672 HB2 LEU 672 -18.277 12.979 13.357 733 HB3 LEU 672 HB3 LEU 672 -19.300 12.918 14.776 734 HG LEU 672 HG LEU 672 -18.571 10.496 13.120 735 HD11 LEU 672 HD11 LEU 672 -16.570 11.418 14.162 736 HD12 LEU 672 HD12 LEU 672 -17.039 9.896 14.920 737 HD13 LEU 672 HD13 LEU 672 -17.379 11.425 15.730 738 HD21 LEU 672 HD21 LEU 672 -20.657 10.260 14.337 739 HD22 LEU 672 HD22 LEU 672 -19.863 10.765 15.829 740 HD23 LEU 672 HD23 LEU 672 -19.402 9.250 15.055 741 H1 GLY 519 H1 GLY 519 -13.292 13.022 -17.067 742 H2 GLY 519 H2 GLY 519 -12.210 11.724 -17.138 743 H3 GLY 519 H3 GLY 519 -13.351 11.805 -15.892 744 HA2 GLY 519 HA2 GLY 519 -15.153 11.555 -17.487 745 HA3 GLY 519 HA3 GLY 519 -13.964 11.462 -18.777 746 H SER 520 H SER 520 -13.423 9.503 -19.420 747 HA SER 520 HA SER 520 -13.932 7.230 -17.622 748 HB2 SER 520 HB2 SER 520 -13.862 7.334 -20.649 749 HB3 SER 520 HB3 SER 520 -14.092 5.864 -19.703 750 HG SER 520 HG SER 520 -15.973 6.924 -18.795 751 HA PRO 521 HA PRO 521 -9.460 6.665 -17.614 752 HB2 PRO 521 HB2 PRO 521 -9.373 4.293 -16.272 753 HB3 PRO 521 HB3 PRO 521 -9.672 5.840 -15.482 754 HG2 PRO 521 HG2 PRO 521 -11.581 3.785 -16.274 755 HG3 PRO 521 HG3 PRO 521 -11.564 4.694 -14.917 756 HD2 PRO 521 HD2 PRO 521 -13.144 5.171 -16.890 757 HD3 PRO 521 HD3 PRO 521 -12.636 6.338 -15.866 758 H GLY 522 H GLY 522 -7.949 5.680 -18.866 759 HA2 GLY 522 HA2 GLY 522 -8.636 3.209 -20.292 760 HA3 GLY 522 HA3 GLY 522 -8.212 4.626 -21.241 761 H TYR 523 H TYR 523 -6.119 5.093 -21.591 762 HA TYR 523 HA TYR 523 -4.132 3.312 -20.364 763 HB2 TYR 523 HB2 TYR 523 -4.241 3.073 -22.778 764 HB3 TYR 523 HB3 TYR 523 -4.050 4.806 -22.998 765 HD1 TYR 523 HD1 TYR 523 -2.304 1.719 -21.924 766 HD2 TYR 523 HD2 TYR 523 -1.877 5.788 -23.097 767 HE1 TYR 523 HE1 TYR 523 0.129 1.409 -22.098 768 HE2 TYR 523 HE2 TYR 523 0.556 5.485 -23.279 769 HH TYR 523 HH TYR 523 2.036 2.440 -23.267 770 HA PRO 524 HA PRO 524 -2.484 6.931 -18.272 771 HB2 PRO 524 HB2 PRO 524 -0.203 5.835 -17.272 772 HB3 PRO 524 HB3 PRO 524 -1.806 5.535 -16.587 773 HG2 PRO 524 HG2 PRO 524 -0.230 3.821 -18.368 774 HG3 PRO 524 HG3 PRO 524 -1.183 3.380 -17.117 775 HD2 PRO 524 HD2 PRO 524 -1.904 3.159 -19.590 776 HD3 PRO 524 HD3 PRO 524 -2.970 3.301 -18.361 777 H ASN 525 H ASN 525 -1.276 8.622 -18.876 778 HA ASN 525 HA ASN 525 0.861 8.199 -20.865 779 HB2 ASN 525 HB2 ASN 525 -1.007 10.566 -20.554 780 HB3 ASN 525 HB3 ASN 525 0.330 10.493 -21.692 781 HD21 ASN 525 HD21 ASN 525 -2.917 10.082 -21.335 782 HD22 ASN 525 HD22 ASN 525 -3.239 9.099 -22.719 783 H GLY 526 H GLY 526 -0.178 10.089 -18.052 784 HA2 GLY 526 HA2 GLY 526 2.648 10.817 -17.574 785 HA3 GLY 526 HA3 GLY 526 1.311 11.893 -17.194 786 H LEU 527 H LEU 527 3.370 9.492 -16.034 787 HA LEU 527 HA LEU 527 1.649 8.966 -13.707 788 HB2 LEU 527 HB2 LEU 527 3.879 7.321 -14.873 789 HB3 LEU 527 HB3 LEU 527 3.104 6.948 -13.350 790 HG LEU 527 HG LEU 527 1.767 6.901 -16.073 791 HD11 LEU 527 HD11 LEU 527 2.641 4.648 -14.285 792 HD12 LEU 527 HD12 LEU 527 3.406 5.137 -15.795 793 HD13 LEU 527 HD13 LEU 527 1.767 4.485 -15.807 794 HD21 LEU 527 HD21 LEU 527 -0.086 5.740 -14.891 795 HD22 LEU 527 HD22 LEU 527 0.111 7.433 -14.421 796 HD23 LEU 527 HD23 LEU 527 0.690 6.145 -13.357 797 H LEU 528 H LEU 528 3.451 11.292 -14.164 798 HA LEU 528 HA LEU 528 5.823 10.998 -12.670 799 HB2 LEU 528 HB2 LEU 528 4.235 13.469 -13.392 800 HB3 LEU 528 HB3 LEU 528 5.834 13.514 -12.688 801 HG LEU 528 HG LEU 528 5.174 12.328 -15.397 802 HD11 LEU 528 HD11 LEU 528 6.373 14.313 -16.251 803 HD12 LEU 528 HD12 LEU 528 6.429 14.952 -14.609 804 HD13 LEU 528 HD13 LEU 528 4.878 14.725 -15.414 805 HD21 LEU 528 HD21 LEU 528 7.851 12.918 -14.120 806 HD22 LEU 528 HD22 LEU 528 7.576 12.248 -15.729 807 HD23 LEU 528 HD23 LEU 528 7.145 11.311 -14.299 808 H SER 529 H SER 529 2.687 10.939 -11.661 809 HA SER 529 HA SER 529 3.391 11.312 -8.869 810 HB2 SER 529 HB2 SER 529 2.582 13.569 -9.650 811 HB3 SER 529 HB3 SER 529 1.030 12.827 -10.031 812 HG SER 529 HG SER 529 2.239 12.837 -7.461 813 H GLY 530 H GLY 530 3.148 8.986 -9.129 814 HA2 GLY 530 HA2 GLY 530 0.390 8.038 -9.514 815 HA3 GLY 530 HA3 GLY 530 1.837 7.053 -9.646 816 H ASP 531 H ASP 531 1.080 9.277 -7.001 817 HA ASP 531 HA ASP 531 0.591 6.992 -5.227 818 HB2 ASP 531 HB2 ASP 531 2.352 9.365 -4.584 819 HB3 ASP 531 HB3 ASP 531 1.903 8.103 -3.445 820 H GLU 532 H GLU 532 -0.208 10.095 -6.265 821 HA GLU 532 HA GLU 532 -2.044 10.579 -4.061 822 HB2 GLU 532 HB2 GLU 532 -1.018 12.368 -6.248 823 HB3 GLU 532 HB3 GLU 532 -2.197 12.853 -5.061 824 HG2 GLU 532 HG2 GLU 532 -0.584 12.563 -3.296 825 HG3 GLU 532 HG3 GLU 532 0.596 11.940 -4.443 826 H ASP 533 H ASP 533 -2.015 9.188 -6.976 827 HA ASP 533 HA ASP 533 -4.600 10.120 -7.950 828 HB2 ASP 533 HB2 ASP 533 -2.460 8.331 -9.095 829 HB3 ASP 533 HB3 ASP 533 -4.049 8.446 -9.837 830 H PHE 534 H PHE 534 -3.475 7.727 -5.845 831 HA PHE 534 HA PHE 534 -5.464 5.752 -6.533 832 HB2 PHE 534 HB2 PHE 534 -3.404 5.742 -4.325 833 HB3 PHE 534 HB3 PHE 534 -4.386 4.372 -4.819 834 HD1 PHE 534 HD1 PHE 534 -1.534 4.237 -4.584 835 HD2 PHE 534 HD2 PHE 534 -3.899 5.404 -7.900 836 HE1 PHE 534 HE1 PHE 534 0.275 3.521 -6.111 837 HE2 PHE 534 HE2 PHE 534 -2.129 4.688 -9.439 838 HZ PHE 534 HZ PHE 534 -0.032 3.746 -8.547 839 H SER 535 H SER 535 -5.306 8.506 -4.634 840 HA SER 535 HA SER 535 -6.982 7.765 -2.450 841 HB2 SER 535 HB2 SER 535 -7.145 10.166 -2.012 842 HB3 SER 535 HB3 SER 535 -5.479 9.730 -2.388 843 HG SER 535 HG SER 535 -7.303 10.751 -4.305 844 H SER 536 H SER 536 -7.605 8.647 -5.735 845 HA SER 536 HA SER 536 -10.433 9.115 -5.304 846 HB2 SER 536 HB2 SER 536 -10.531 9.499 -7.702 847 HB3 SER 536 HB3 SER 536 -9.279 10.480 -6.957 848 HG SER 536 HG SER 536 -7.763 8.911 -7.668 849 H ILE 537 H ILE 537 -8.340 6.506 -6.132 850 HA ILE 537 HA ILE 537 -10.433 4.897 -7.338 851 HB ILE 537 HB ILE 537 -7.565 4.190 -6.679 852 HG12 ILE 537 HG12 ILE 537 -7.651 5.843 -8.463 853 HG13 ILE 537 HG13 ILE 537 -7.160 4.294 -9.120 854 HG21 ILE 537 HG21 ILE 537 -9.628 2.543 -8.130 855 HG22 ILE 537 HG22 ILE 537 -8.752 2.130 -6.650 856 HG23 ILE 537 HG23 ILE 537 -7.894 2.218 -8.190 857 HD11 ILE 537 HD11 ILE 537 -8.655 5.423 -10.644 858 HD12 ILE 537 HD12 ILE 537 -9.882 5.568 -9.386 859 HD13 ILE 537 HD13 ILE 537 -9.442 3.979 -10.007 860 H ALA 538 H ALA 538 -8.881 5.235 -4.212 861 HA ALA 538 HA ALA 538 -9.684 2.623 -3.351 862 HB1 ALA 538 HB1 ALA 538 -7.548 3.565 -2.615 863 HB2 ALA 538 HB2 ALA 538 -8.578 3.145 -1.245 864 HB3 ALA 538 HB3 ALA 538 -8.417 4.828 -1.744 865 H ASP 539 H ASP 539 -11.190 5.579 -3.411 866 HA ASP 539 HA ASP 539 -13.138 4.736 -1.373 867 HB2 ASP 539 HB2 ASP 539 -13.934 7.057 -1.337 868 HB3 ASP 539 HB3 ASP 539 -12.199 7.005 -1.043 869 H MET 540 H MET 540 -12.561 4.623 -4.594 870 HA MET 540 HA MET 540 -15.391 4.525 -5.372 871 HB2 MET 540 HB2 MET 540 -12.800 4.702 -6.871 872 HB3 MET 540 HB3 MET 540 -14.249 4.121 -7.684 873 HG2 MET 540 HG2 MET 540 -15.387 6.225 -7.158 874 HG3 MET 540 HG3 MET 540 -13.936 6.804 -6.346 875 HE1 MET 540 HE1 MET 540 -14.459 6.318 -10.917 876 HE2 MET 540 HE2 MET 540 -15.735 6.112 -9.717 877 HE3 MET 540 HE3 MET 540 -14.467 4.897 -9.872 878 H ASP 541 H ASP 541 -12.551 2.595 -4.841 879 HA ASP 541 HA ASP 541 -13.748 0.216 -6.030 880 HB2 ASP 541 HB2 ASP 541 -10.993 1.025 -5.221 881 HB3 ASP 541 HB3 ASP 541 -11.387 -0.687 -5.241 882 H PHE 542 H PHE 542 -13.309 1.696 -2.938 883 HA PHE 542 HA PHE 542 -13.096 -0.655 -1.336 884 HB2 PHE 542 HB2 PHE 542 -12.427 1.668 -0.661 885 HB3 PHE 542 HB3 PHE 542 -14.131 2.063 -0.507 886 HD1 PHE 542 HD1 PHE 542 -11.560 -0.318 0.777 887 HD2 PHE 542 HD2 PHE 542 -15.194 1.775 1.523 888 HE1 PHE 542 HE1 PHE 542 -11.548 -1.127 3.101 889 HE2 PHE 542 HE2 PHE 542 -15.184 0.972 3.846 890 HZ PHE 542 HZ PHE 542 -13.358 -0.480 4.639 891 H SER 543 H SER 543 -15.744 0.776 -2.961 892 HA SER 543 HA SER 543 -17.809 -0.066 -1.133 893 HB2 SER 543 HB2 SER 543 -19.362 0.874 -2.761 894 HB3 SER 543 HB3 SER 543 -18.020 1.986 -2.504 895 HG SER 543 HG SER 543 -17.702 0.147 -4.554 896 H ALA 544 H ALA 544 -16.581 -1.169 -4.258 897 HA ALA 544 HA ALA 544 -18.403 -3.424 -4.356 898 HB1 ALA 544 HB1 ALA 544 -16.059 -2.728 -6.125 899 HB2 ALA 544 HB2 ALA 544 -17.746 -2.310 -6.426 900 HB3 ALA 544 HB3 ALA 544 -17.241 -4.000 -6.432 901 H LEU 545 H LEU 545 -15.294 -2.724 -3.117 902 HA LEU 545 HA LEU 545 -14.287 -5.434 -3.150 903 HB2 LEU 545 HB2 LEU 545 -13.239 -2.773 -2.326 904 HB3 LEU 545 HB3 LEU 545 -12.415 -4.222 -1.822 905 HG LEU 545 HG LEU 545 -12.889 -3.501 -4.704 906 HD11 LEU 545 HD11 LEU 545 -11.552 -1.760 -3.793 907 HD12 LEU 545 HD12 LEU 545 -10.523 -2.817 -4.760 908 HD13 LEU 545 HD13 LEU 545 -10.496 -2.931 -3.001 909 HD21 LEU 545 HD21 LEU 545 -12.416 -5.873 -4.369 910 HD22 LEU 545 HD22 LEU 545 -10.916 -5.445 -3.544 911 HD23 LEU 545 HD23 LEU 545 -11.126 -5.049 -5.253 912 H LEU 546 H LEU 546 -15.959 -3.342 -0.848 913 HA LEU 546 HA LEU 546 -15.331 -5.131 1.360 914 HB2 LEU 546 HB2 LEU 546 -15.386 -2.770 1.883 915 HB3 LEU 546 HB3 LEU 546 -17.021 -2.636 1.280 916 HG LEU 546 HG LEU 546 -17.805 -4.040 3.142 917 HD11 LEU 546 HD11 LEU 546 -15.804 -5.337 3.566 918 HD12 LEU 546 HD12 LEU 546 -16.276 -4.480 5.033 919 HD13 LEU 546 HD13 LEU 546 -14.935 -3.882 4.055 920 HD21 LEU 546 HD21 LEU 546 -16.191 -1.668 4.042 921 HD22 LEU 546 HD22 LEU 546 -17.540 -2.398 4.911 922 HD23 LEU 546 HD23 LEU 546 -17.814 -1.605 3.358 923 H SER 547 H SER 547 -17.705 -4.873 -1.045 924 HA SER 547 HA SER 547 -19.887 -6.105 0.348 925 HB2 SER 547 HB2 SER 547 -20.983 -6.159 -1.824 926 HB3 SER 547 HB3 SER 547 -20.201 -4.596 -1.598 927 HG SER 547 HG SER 547 -19.333 -6.771 -3.191 928 H GLN 548 H GLN 548 -17.029 -7.320 -1.056 929 HA GLN 548 HA GLN 548 -18.024 -9.860 -1.922 930 HB2 GLN 548 HB2 GLN 548 -15.179 -9.005 -1.420 931 HB3 GLN 548 HB3 GLN 548 -15.681 -10.456 -2.274 932 HG2 GLN 548 HG2 GLN 548 -16.012 -7.597 -3.147 933 HG3 GLN 548 HG3 GLN 548 -15.038 -8.854 -3.890 934 HE21 GLN 548 HE21 GLN 548 -17.478 -7.094 -4.638 935 HE22 GLN 548 HE22 GLN 548 -18.528 -8.214 -5.432 936 H ILE 549 H ILE 549 -17.361 -8.622 1.103 937 HA ILE 549 HA ILE 549 -16.550 -11.175 2.293 938 HB ILE 549 HB ILE 549 -16.800 -8.442 3.586 939 HG12 ILE 549 HG12 ILE 549 -14.936 -8.383 2.057 940 HG13 ILE 549 HG13 ILE 549 -14.296 -8.495 3.687 941 HG21 ILE 549 HG21 ILE 549 -15.642 -10.975 4.749 942 HG22 ILE 549 HG22 ILE 549 -17.153 -10.203 5.228 943 HG23 ILE 549 HG23 ILE 549 -15.616 -9.386 5.511 944 HD11 ILE 549 HD11 ILE 549 -13.004 -9.862 2.164 945 HD12 ILE 549 HD12 ILE 549 -14.450 -10.738 1.673 946 HD13 ILE 549 HD13 ILE 549 -13.845 -10.892 3.321 947 H SER 550 H SER 550 -19.262 -8.949 2.148 948 HA SER 550 HA SER 550 -20.774 -10.455 4.141 949 HB2 SER 550 HB2 SER 550 -22.478 -8.670 3.864 950 HB3 SER 550 HB3 SER 550 -20.893 -8.027 4.296 951 HG SER 550 HG SER 550 -20.697 -7.153 2.357 952 H SER 551 H SER 551 -20.814 -9.734 0.683 953 HA SER 551 HA SER 551 -22.928 -11.757 0.333 954 HB2 SER 551 HB2 SER 551 -22.375 -9.360 -1.439 955 HB3 SER 551 HB3 SER 551 -23.641 -10.563 -1.691 956 HG SER 551 HG SER 551 -23.933 -9.687 0.767
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