NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
608186 | 5lkn | 34026 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 595 1H MET 595 2.463 0.763 0.958 2 H2 MET 595 2H MET 595 1.944 -0.743 0.533 3 H3 MET 595 3H MET 595 3.533 -0.489 0.903 4 HA MET 595 HA MET 595 2.107 0.701 -1.368 5 HB2 MET 595 1HB MET 595 4.170 1.596 -2.116 6 HB3 MET 595 2HB MET 595 3.982 2.059 -0.428 7 HG2 MET 595 1HG MET 595 5.770 -0.169 -1.473 8 HG3 MET 595 2HG MET 595 6.308 1.443 -0.997 9 HE1 MET 595 1HE MET 595 6.167 1.445 2.869 10 HE2 MET 595 2HE MET 595 6.883 2.181 1.417 11 HE3 MET 595 3HE MET 595 5.127 2.281 1.692 12 H GLN 596 H GLN 596 4.282 -1.964 -0.276 13 HA GLN 596 HA GLN 596 4.912 -2.999 -2.780 14 HB2 GLN 596 1HB GLN 596 4.428 -4.387 -0.140 15 HB3 GLN 596 2HB GLN 596 5.155 -5.177 -1.542 16 HG2 GLN 596 1HG GLN 596 7.103 -3.857 -1.443 17 HG3 GLN 596 2HG GLN 596 6.337 -2.627 -0.430 18 HE21 GLN 596 1HE2 GLN 596 8.400 -5.505 1.332 19 HE22 GLN 596 2HE2 GLN 596 8.506 -5.103 -0.365 20 HA PRO 597 HA PRO 597 1.302 -5.872 -3.034 21 HB2 PRO 597 1HB PRO 597 -1.118 -5.440 -1.917 22 HB3 PRO 597 2HB PRO 597 0.221 -6.177 -0.979 23 HG2 PRO 597 1HG PRO 597 -0.657 -3.305 -1.073 24 HG3 PRO 597 2HG PRO 597 -0.424 -4.364 0.355 25 HD2 PRO 597 1HD PRO 597 1.498 -2.653 -0.492 26 HD3 PRO 597 2HD PRO 597 1.909 -4.261 0.198 27 H VAL 598 H VAL 598 1.284 -2.525 -3.492 28 HA VAL 598 HA VAL 598 -1.178 -2.424 -5.070 29 HB VAL 598 HB VAL 598 1.048 -0.387 -4.685 30 HG11 VAL 598 1HG1 VAL 598 -1.581 -0.152 -6.140 31 HG12 VAL 598 2HG1 VAL 598 -0.632 1.237 -5.616 32 HG13 VAL 598 3HG1 VAL 598 0.044 0.094 -6.794 33 HG21 VAL 598 1HG2 VAL 598 -0.200 -0.825 -2.617 34 HG22 VAL 598 2HG2 VAL 598 -0.615 0.778 -3.249 35 HG23 VAL 598 3HG2 VAL 598 -1.739 -0.581 -3.473 36 H ARG 599 H ARG 599 -1.241 -3.337 -7.015 37 HA ARG 599 HA ARG 599 1.222 -3.643 -8.588 38 HB2 ARG 599 1HB ARG 599 -0.185 -4.797 -10.207 39 HB3 ARG 599 2HB ARG 599 -0.526 -5.424 -8.589 40 HG2 ARG 599 1HG ARG 599 -2.565 -4.044 -8.481 41 HG3 ARG 599 2HG ARG 599 -2.204 -3.406 -10.092 42 HD2 ARG 599 1HD ARG 599 -2.369 -5.706 -11.019 43 HD3 ARG 599 2HD ARG 599 -2.840 -6.299 -9.415 44 HE ARG 599 HE ARG 599 -4.450 -4.633 -11.269 45 HH11 ARG 599 1HH1 ARG 599 -4.293 -6.113 -8.054 46 HH12 ARG 599 2HH1 ARG 599 -5.998 -5.876 -7.782 47 HH21 ARG 599 1HH2 ARG 599 -6.582 -4.368 -10.835 48 HH22 ARG 599 2HH2 ARG 599 -7.273 -4.932 -9.332 49 H GLU 600 H GLU 600 1.539 -2.612 -10.623 50 HA GLU 600 HA GLU 600 0.757 0.153 -10.648 51 HB2 GLU 600 1HB GLU 600 2.147 -1.656 -12.654 52 HB3 GLU 600 2HB GLU 600 1.838 0.055 -12.954 53 HG2 GLU 600 1HG GLU 600 3.088 0.593 -10.850 54 HG3 GLU 600 2HG GLU 600 3.549 -1.115 -10.751 55 HA PRO 601 HA PRO 601 -2.992 -0.129 -12.872 56 HB2 PRO 601 1HB PRO 601 -2.970 2.046 -14.554 57 HB3 PRO 601 2HB PRO 601 -3.182 2.166 -12.787 58 HG2 PRO 601 1HG PRO 601 -0.706 2.510 -14.394 59 HG3 PRO 601 2HG PRO 601 -1.366 3.565 -13.127 60 HD2 PRO 601 1HD PRO 601 0.611 1.809 -12.661 61 HD3 PRO 601 2HD PRO 601 -0.663 2.125 -11.439 62 H SER 602 H SER 602 -4.022 -0.631 -14.820 63 HA SER 602 HA SER 602 -2.352 -2.047 -16.737 64 HB2 SER 602 1HB SER 602 -4.584 -2.886 -15.935 65 HB3 SER 602 2HB SER 602 -5.351 -1.531 -16.787 66 HG SER 602 HG SER 602 -5.285 -3.470 -18.034 67 H ALA 603 H ALA 603 -2.411 -1.599 -19.039 68 HA ALA 603 HA ALA 603 -1.849 1.062 -19.706 69 HB1 ALA 603 1HB ALA 603 -1.922 0.314 -22.033 70 HB2 ALA 603 2HB ALA 603 -1.224 -0.986 -21.048 71 HB3 ALA 603 3HB ALA 603 -2.914 -1.095 -21.590 72 HA PRO 604 HA PRO 604 -5.829 2.900 -19.956 73 HB2 PRO 604 1HB PRO 604 -5.467 4.865 -21.843 74 HB3 PRO 604 2HB PRO 604 -4.791 4.962 -20.186 75 HG2 PRO 604 1HG PRO 604 -3.489 4.047 -22.698 76 HG3 PRO 604 2HG PRO 604 -2.907 5.216 -21.483 77 HD2 PRO 604 1HD PRO 604 -2.049 2.694 -21.505 78 HD3 PRO 604 2HD PRO 604 -2.375 3.550 -19.957 79 H LYS 605 H LYS 605 -7.694 3.114 -21.240 80 HA LYS 605 HA LYS 605 -7.813 0.997 -23.301 81 HB2 LYS 605 1HB LYS 605 -9.717 2.524 -21.559 82 HB3 LYS 605 2HB LYS 605 -10.338 1.936 -23.100 83 HG2 LYS 605 1HG LYS 605 -10.788 0.362 -21.211 84 HG3 LYS 605 2HG LYS 605 -9.874 -0.361 -22.535 85 HD2 LYS 605 1HD LYS 605 -8.936 -1.181 -20.478 86 HD3 LYS 605 2HD LYS 605 -7.755 -0.086 -21.194 87 HE2 LYS 605 1HE LYS 605 -8.539 1.717 -19.619 88 HE3 LYS 605 2HE LYS 605 -9.627 0.531 -18.864 89 HZ1 LYS 605 1HZ LYS 605 -6.659 0.285 -19.029 90 HZ2 LYS 605 2HZ LYS 605 -7.669 -0.810 -18.324 91 HZ3 LYS 605 3HZ LYS 605 -7.501 0.686 -17.662 92 H LEU 606 H LEU 606 -8.479 1.395 -25.472 93 HA LEU 606 HA LEU 606 -8.563 4.251 -26.256 94 HB2 LEU 606 1HB LEU 606 -6.218 3.439 -26.412 95 HB3 LEU 606 2HB LEU 606 -6.739 2.146 -27.472 96 HG LEU 606 HG LEU 606 -5.543 4.173 -28.475 97 HD11 LEU 606 1HD1 LEU 606 -6.860 4.112 -30.561 98 HD12 LEU 606 2HD1 LEU 606 -8.172 3.278 -29.712 99 HD13 LEU 606 3HD1 LEU 606 -6.594 2.493 -29.885 100 HD21 LEU 606 1HD2 LEU 606 -8.295 5.427 -28.189 101 HD22 LEU 606 2HD2 LEU 606 -6.941 6.082 -29.117 102 HD23 LEU 606 3HD2 LEU 606 -6.812 5.932 -27.355 103 H GLU 607 H GLU 607 -10.402 4.489 -27.297 104 HA GLU 607 HA GLU 607 -11.433 2.213 -28.900 105 HB2 GLU 607 1HB GLU 607 -13.022 4.643 -28.106 106 HB3 GLU 607 2HB GLU 607 -13.602 3.042 -28.567 107 HG2 GLU 607 1HG GLU 607 -12.278 3.887 -25.971 108 HG3 GLU 607 2HG GLU 607 -13.932 3.317 -26.193 109 H GLY 608 H GLY 608 -9.726 5.042 -29.311 110 HA2 GLY 608 1HA GLY 608 -9.264 6.384 -31.121 111 HA3 GLY 608 2HA GLY 608 -9.743 4.987 -32.089 112 H GLN 609 H GLN 609 -11.539 7.439 -30.092 113 HA GLN 609 HA GLN 609 -13.719 7.270 -32.036 114 HB2 GLN 609 1HB GLN 609 -13.312 8.949 -29.551 115 HB3 GLN 609 2HB GLN 609 -14.798 8.928 -30.508 116 HG2 GLN 609 1HG GLN 609 -15.081 6.535 -30.008 117 HG3 GLN 609 2HG GLN 609 -13.569 6.541 -29.087 118 HE21 GLN 609 1HE2 GLN 609 -16.849 7.189 -27.113 119 HE22 GLN 609 2HE2 GLN 609 -16.643 6.258 -28.579 120 H MET 610 H MET 610 -13.535 8.288 -33.874 121 HA MET 610 HA MET 610 -11.528 10.079 -34.558 122 HB2 MET 610 1HB MET 610 -14.292 9.930 -35.804 123 HB3 MET 610 2HB MET 610 -12.815 10.521 -36.573 124 HG2 MET 610 1HG MET 610 -11.847 8.201 -36.252 125 HG3 MET 610 2HG MET 610 -13.463 7.671 -35.759 126 HE1 MET 610 1HE MET 610 -15.530 7.413 -37.350 127 HE2 MET 610 2HE MET 610 -15.535 9.168 -37.651 128 HE3 MET 610 3HE MET 610 -15.595 8.031 -39.016 129 H GLY 611 H GLY 611 -11.191 12.210 -34.574 130 HA2 GLY 611 1HA GLY 611 -13.050 13.912 -33.103 131 HA3 GLY 611 2HA GLY 611 -11.477 14.367 -33.761 132 H GLU 612 H GLU 612 -14.823 13.663 -34.572 133 HA GLU 612 HA GLU 612 -14.788 14.600 -37.288 134 HB2 GLU 612 1HB GLU 612 -16.501 13.168 -36.054 135 HB3 GLU 612 2HB GLU 612 -17.089 14.655 -35.302 136 HG2 GLU 612 1HG GLU 612 -17.702 15.544 -37.500 137 HG3 GLU 612 2HG GLU 612 -17.003 14.117 -38.289 138 H ASP 613 H ASP 613 -14.660 16.070 -34.210 139 HA ASP 613 HA ASP 613 -15.712 18.666 -34.630 140 HB2 ASP 613 1HB ASP 613 -13.216 18.189 -33.029 141 HB3 ASP 613 2HB ASP 613 -14.587 19.192 -32.618 142 H GLY 614 H GLY 614 -12.776 17.129 -35.737 143 HA2 GLY 614 1HA GLY 614 -11.252 17.928 -37.303 144 HA3 GLY 614 2HA GLY 614 -11.988 19.535 -37.218 145 H ASN 615 H ASN 615 -9.147 18.586 -37.128 146 HA ASN 615 HA ASN 615 -7.183 19.081 -36.092 147 HB2 ASN 615 1HB ASN 615 -8.617 21.362 -36.291 148 HB3 ASN 615 2HB ASN 615 -8.392 21.334 -34.537 149 HD21 ASN 615 1HD2 ASN 615 -4.777 21.568 -34.873 150 HD22 ASN 615 2HD2 ASN 615 -5.991 20.643 -34.000 151 H SER 616 H SER 616 -9.213 17.344 -34.559 152 HA SER 616 HA SER 616 -7.758 17.248 -32.010 153 HB2 SER 616 1HB SER 616 -9.908 17.493 -30.747 154 HB3 SER 616 2HB SER 616 -9.428 18.974 -31.595 155 HG SER 616 HG SER 616 -10.935 18.608 -33.138 156 H ILE 617 H ILE 617 -8.922 15.460 -30.574 157 HA ILE 617 HA ILE 617 -10.505 13.468 -31.981 158 HB ILE 617 HB ILE 617 -8.216 12.980 -32.891 159 HG12 ILE 617 1HG1 ILE 617 -8.927 10.623 -31.182 160 HG13 ILE 617 2HG1 ILE 617 -10.166 11.282 -32.242 161 HG21 ILE 617 1HG2 ILE 617 -6.881 13.602 -30.884 162 HG22 ILE 617 2HG2 ILE 617 -7.513 12.176 -30.029 163 HG23 ILE 617 3HG2 ILE 617 -6.489 11.978 -31.470 164 HD11 ILE 617 1HD1 ILE 617 -7.456 10.380 -33.190 165 HD12 ILE 617 2HD1 ILE 617 -8.945 9.407 -33.247 166 HD13 ILE 617 3HD1 ILE 617 -8.825 10.909 -34.190 167 H LYS 618 H LYS 618 -11.165 11.666 -30.512 168 HA LYS 618 HA LYS 618 -10.811 12.459 -27.635 169 HB2 LYS 618 1HB LYS 618 -13.064 10.771 -28.750 170 HB3 LYS 618 2HB LYS 618 -12.967 11.537 -27.182 171 HG2 LYS 618 1HG LYS 618 -14.473 12.934 -28.192 172 HG3 LYS 618 2HG LYS 618 -12.989 13.770 -28.658 173 HD2 LYS 618 1HD LYS 618 -13.303 13.326 -30.879 174 HD3 LYS 618 2HD LYS 618 -13.772 11.652 -30.563 175 HE2 LYS 618 1HE LYS 618 -15.639 12.738 -31.585 176 HE3 LYS 618 2HE LYS 618 -16.045 12.439 -29.887 177 HZ1 LYS 618 1HZ LYS 618 -16.711 14.649 -30.584 178 HZ2 LYS 618 2HZ LYS 618 -15.179 15.040 -31.035 179 HZ3 LYS 618 3HZ LYS 618 -15.531 14.780 -29.443 180 H VAL 619 H VAL 619 -9.766 10.984 -26.376 181 HA VAL 619 HA VAL 619 -9.699 8.147 -27.333 182 HB VAL 619 HB VAL 619 -7.455 8.269 -27.652 183 HG11 VAL 619 1HG1 VAL 619 -7.475 11.016 -26.319 184 HG12 VAL 619 2HG1 VAL 619 -6.080 10.291 -27.142 185 HG13 VAL 619 3HG1 VAL 619 -7.546 10.666 -28.063 186 HG21 VAL 619 1HG2 VAL 619 -5.945 8.319 -25.703 187 HG22 VAL 619 2HG2 VAL 619 -7.269 8.907 -24.678 188 HG23 VAL 619 3HG2 VAL 619 -7.357 7.289 -25.400 189 H ASN 620 H ASN 620 -10.052 6.658 -25.656 190 HA ASN 620 HA ASN 620 -11.499 7.826 -23.410 191 HB2 ASN 620 1HB ASN 620 -11.058 5.036 -24.455 192 HB3 ASN 620 2HB ASN 620 -11.626 5.274 -22.798 193 HD21 ASN 620 1HD2 ASN 620 -14.083 6.675 -25.780 194 HD22 ASN 620 2HD2 ASN 620 -12.354 6.779 -25.970 195 H LEU 621 H LEU 621 -11.132 7.398 -21.207 196 HA LEU 621 HA LEU 621 -8.301 6.784 -20.596 197 HB2 LEU 621 1HB LEU 621 -9.239 9.260 -20.587 198 HB3 LEU 621 2HB LEU 621 -9.770 8.791 -18.984 199 HG LEU 621 HG LEU 621 -7.458 8.352 -18.317 200 HD11 LEU 621 1HD1 LEU 621 -6.753 9.101 -21.182 201 HD12 LEU 621 2HD1 LEU 621 -6.377 7.590 -20.336 202 HD13 LEU 621 3HD1 LEU 621 -5.583 9.095 -19.845 203 HD21 LEU 621 1HD2 LEU 621 -6.686 10.772 -18.610 204 HD22 LEU 621 2HD2 LEU 621 -8.353 10.593 -18.039 205 HD23 LEU 621 3HD2 LEU 621 -8.031 11.004 -19.740 206 H ILE 622 H ILE 622 -7.834 5.948 -18.552 207 HA ILE 622 HA ILE 622 -9.629 3.974 -17.564 208 HB ILE 622 HB ILE 622 -7.259 5.420 -16.300 209 HG12 ILE 622 1HG1 ILE 622 -6.948 2.606 -16.896 210 HG13 ILE 622 2HG1 ILE 622 -7.336 3.530 -18.351 211 HG21 ILE 622 1HG2 ILE 622 -7.141 3.460 -14.741 212 HG22 ILE 622 2HG2 ILE 622 -8.512 4.543 -14.462 213 HG23 ILE 622 3HG2 ILE 622 -8.746 2.990 -15.299 214 HD11 ILE 622 1HD1 ILE 622 -5.467 5.010 -17.905 215 HD12 ILE 622 2HD1 ILE 622 -5.125 4.124 -16.394 216 HD13 ILE 622 3HD1 ILE 622 -4.929 3.308 -17.955 217 H LYS 623 H LYS 623 -11.318 4.115 -16.098 218 HA LYS 623 HA LYS 623 -11.568 6.672 -14.613 219 HB2 LYS 623 1HB LYS 623 -14.011 6.436 -14.847 220 HB3 LYS 623 2HB LYS 623 -13.157 6.684 -16.364 221 HG2 LYS 623 1HG LYS 623 -14.342 4.976 -17.175 222 HG3 LYS 623 2HG LYS 623 -13.274 3.926 -16.238 223 HD2 LYS 623 1HD LYS 623 -15.301 3.180 -15.529 224 HD3 LYS 623 2HD LYS 623 -15.011 4.427 -14.302 225 HE2 LYS 623 1HE LYS 623 -16.447 5.015 -16.895 226 HE3 LYS 623 2HE LYS 623 -17.288 4.344 -15.495 227 HZ1 LYS 623 1HZ LYS 623 -15.891 6.954 -15.621 228 HZ2 LYS 623 2HZ LYS 623 -16.515 6.313 -14.229 229 HZ3 LYS 623 3HZ LYS 623 -17.508 6.711 -15.489 230 H GLN 624 H GLN 624 -10.564 3.799 -13.912 231 HA GLN 624 HA GLN 624 -11.838 3.784 -11.261 232 HB2 GLN 624 1HB GLN 624 -12.401 1.438 -11.304 233 HB3 GLN 624 2HB GLN 624 -13.270 2.276 -12.586 234 HG2 GLN 624 1HG GLN 624 -10.694 0.759 -13.102 235 HG3 GLN 624 2HG GLN 624 -12.280 -0.018 -13.131 236 HE21 GLN 624 1HE2 GLN 624 -10.960 1.887 -16.356 237 HE22 GLN 624 2HE2 GLN 624 -9.973 1.530 -14.943 238 H ASP 625 H ASP 625 -10.720 1.905 -9.888 239 HA ASP 625 HA ASP 625 -7.840 2.340 -10.207 240 HB2 ASP 625 1HB ASP 625 -7.669 1.040 -8.099 241 HB3 ASP 625 2HB ASP 625 -8.730 2.449 -7.969 242 H ASP 626 H ASP 626 -7.050 1.302 -11.907 243 HA ASP 626 HA ASP 626 -7.878 -1.340 -12.783 244 HB2 ASP 626 1HB ASP 626 -5.454 0.425 -13.296 245 HB3 ASP 626 2HB ASP 626 -5.668 -1.161 -14.064 246 H GLY 627 H GLY 627 -5.613 -0.008 -10.579 247 HA2 GLY 627 1HA GLY 627 -4.046 -2.520 -10.543 248 HA3 GLY 627 2HA GLY 627 -3.432 -0.939 -10.090 249 H GLY 628 H GLY 628 -2.925 -0.908 -8.221 250 HA2 GLY 628 1HA GLY 628 -4.542 -2.376 -6.148 251 HA3 GLY 628 2HA GLY 628 -2.838 -1.962 -5.990 252 H SER 629 H SER 629 -3.887 0.703 -7.308 253 HA SER 629 HA SER 629 -5.328 1.938 -5.066 254 HB2 SER 629 1HB SER 629 -2.564 2.878 -5.982 255 HB3 SER 629 2HB SER 629 -3.649 3.786 -4.910 256 HG SER 629 HG SER 629 -3.426 1.342 -3.922 257 HA PRO 630 HA PRO 630 -6.879 3.841 -8.698 258 HB2 PRO 630 1HB PRO 630 -7.596 6.374 -7.950 259 HB3 PRO 630 2HB PRO 630 -8.487 4.919 -7.395 260 HG2 PRO 630 1HG PRO 630 -6.302 6.438 -5.988 261 HG3 PRO 630 2HG PRO 630 -7.928 5.980 -5.380 262 HD2 PRO 630 1HD PRO 630 -5.778 4.486 -4.796 263 HD3 PRO 630 2HD PRO 630 -7.344 3.702 -5.209 264 H ILE 631 H ILE 631 -6.480 5.422 -10.328 265 HA ILE 631 HA ILE 631 -3.702 6.094 -10.642 266 HB ILE 631 HB ILE 631 -6.231 6.764 -12.228 267 HG12 ILE 631 1HG1 ILE 631 -5.068 5.473 -14.035 268 HG13 ILE 631 2HG1 ILE 631 -3.708 5.185 -12.940 269 HG21 ILE 631 1HG2 ILE 631 -4.870 8.710 -12.562 270 HG22 ILE 631 2HG2 ILE 631 -3.386 7.737 -12.686 271 HG23 ILE 631 3HG2 ILE 631 -4.582 7.684 -13.960 272 HD11 ILE 631 1HD1 ILE 631 -5.261 3.284 -13.314 273 HD12 ILE 631 2HD1 ILE 631 -5.006 3.706 -11.608 274 HD13 ILE 631 3HD1 ILE 631 -6.511 4.192 -12.436 275 H ARG 632 H ARG 632 -2.758 8.215 -10.547 276 HA ARG 632 HA ARG 632 -4.301 10.156 -8.868 277 HB2 ARG 632 1HB ARG 632 -1.363 9.606 -9.338 278 HB3 ARG 632 2HB ARG 632 -1.894 11.227 -8.910 279 HG2 ARG 632 1HG ARG 632 -2.999 10.261 -6.851 280 HG3 ARG 632 2HG ARG 632 -2.207 8.705 -7.216 281 HD2 ARG 632 1HD ARG 632 -0.864 9.977 -5.618 282 HD3 ARG 632 2HD ARG 632 -0.001 9.845 -7.163 283 HE ARG 632 HE ARG 632 -1.449 12.260 -7.238 284 HH11 ARG 632 1HH1 ARG 632 1.232 10.925 -5.367 285 HH12 ARG 632 2HH1 ARG 632 1.935 12.494 -5.087 286 HH21 ARG 632 1HH2 ARG 632 -0.489 14.212 -6.866 287 HH22 ARG 632 2HH2 ARG 632 0.967 14.326 -5.909 288 H HIS 633 H HIS 633 -2.149 9.909 -11.755 289 HA HIS 633 HA HIS 633 -3.596 12.240 -12.935 290 HB2 HIS 633 1HB HIS 633 -0.603 11.963 -13.222 291 HB3 HIS 633 2HB HIS 633 -1.610 13.390 -13.479 292 HD1 HIS 633 HD1 HIS 633 0.872 12.277 -11.261 293 HD2 HIS 633 HD2 HIS 633 -2.849 14.036 -10.677 294 HE1 HIS 633 HE1 HIS 633 0.917 13.291 -8.965 295 H TYR 634 H TYR 634 -3.126 12.481 -15.282 296 HA TYR 634 HA TYR 634 -2.198 9.949 -16.590 297 HB2 TYR 634 1HB TYR 634 -4.417 11.834 -17.473 298 HB3 TYR 634 2HB TYR 634 -3.781 10.481 -18.424 299 HD1 TYR 634 HD1 TYR 634 -6.157 11.478 -15.905 300 HD2 TYR 634 HD2 TYR 634 -3.939 8.121 -17.426 301 HE1 TYR 634 HE1 TYR 634 -7.711 9.905 -14.750 302 HE2 TYR 634 HE2 TYR 634 -5.479 6.581 -16.238 303 HH TYR 634 HH TYR 634 -8.352 7.686 -14.535 304 H LEU 635 H LEU 635 -0.940 10.221 -18.402 305 HA LEU 635 HA LEU 635 -0.127 13.032 -19.030 306 HB2 LEU 635 1HB LEU 635 1.710 10.621 -18.826 307 HB3 LEU 635 2HB LEU 635 2.178 12.248 -19.258 308 HG LEU 635 HG LEU 635 1.236 12.757 -16.785 309 HD11 LEU 635 1HD1 LEU 635 2.235 9.870 -16.627 310 HD12 LEU 635 2HD1 LEU 635 0.598 10.437 -16.238 311 HD13 LEU 635 3HD1 LEU 635 1.969 10.936 -15.230 312 HD21 LEU 635 1HD2 LEU 635 3.967 11.587 -17.452 313 HD22 LEU 635 2HD2 LEU 635 3.577 12.553 -16.006 314 HD23 LEU 635 3HD2 LEU 635 3.478 13.291 -17.614 315 H VAL 636 H VAL 636 -0.260 13.430 -21.190 316 HA VAL 636 HA VAL 636 -0.301 11.074 -23.043 317 HB VAL 636 HB VAL 636 -1.841 13.650 -23.531 318 HG11 VAL 636 1HG1 VAL 636 -1.916 10.868 -24.759 319 HG12 VAL 636 2HG1 VAL 636 -3.121 12.124 -25.088 320 HG13 VAL 636 3HG1 VAL 636 -1.427 12.387 -25.544 321 HG21 VAL 636 1HG2 VAL 636 -2.773 11.113 -22.140 322 HG22 VAL 636 2HG2 VAL 636 -2.869 12.785 -21.545 323 HG23 VAL 636 3HG2 VAL 636 -3.891 12.260 -22.895 324 H ARG 637 H ARG 637 1.012 11.169 -24.800 325 HA ARG 637 HA ARG 637 2.439 13.769 -25.342 326 HB2 ARG 637 1HB ARG 637 3.739 11.939 -24.064 327 HB3 ARG 637 2HB ARG 637 3.600 10.962 -25.528 328 HG2 ARG 637 1HG ARG 637 4.655 13.117 -26.644 329 HG3 ARG 637 2HG ARG 637 5.233 13.405 -24.998 330 HD2 ARG 637 1HD ARG 637 6.219 11.129 -24.974 331 HD3 ARG 637 2HD ARG 637 5.650 10.887 -26.640 332 HE ARG 637 HE ARG 637 7.351 13.242 -26.190 333 HH11 ARG 637 1HH1 ARG 637 7.246 9.885 -27.286 334 HH12 ARG 637 2HH1 ARG 637 8.765 10.016 -28.127 335 HH21 ARG 637 1HH2 ARG 637 9.286 13.326 -27.279 336 HH22 ARG 637 2HH2 ARG 637 9.891 11.931 -28.129 337 H TYR 638 H TYR 638 2.313 14.314 -27.570 338 HA TYR 638 HA TYR 638 1.805 12.126 -29.494 339 HB2 TYR 638 1HB TYR 638 -0.181 13.177 -30.454 340 HB3 TYR 638 2HB TYR 638 -0.451 12.705 -28.772 341 HD1 TYR 638 HD1 TYR 638 -0.823 15.318 -31.164 342 HD2 TYR 638 HD2 TYR 638 -0.103 14.653 -26.968 343 HE1 TYR 638 HE1 TYR 638 -1.647 17.620 -30.636 344 HE2 TYR 638 HE2 TYR 638 -0.881 16.952 -26.487 345 HH TYR 638 HH TYR 638 -2.272 19.069 -28.954 346 H ARG 639 H ARG 639 2.051 12.692 -31.699 347 HA ARG 639 HA ARG 639 3.278 15.338 -32.313 348 HB2 ARG 639 1HB ARG 639 5.237 14.248 -31.689 349 HB3 ARG 639 2HB ARG 639 4.698 12.683 -32.212 350 HG2 ARG 639 1HG ARG 639 5.227 14.729 -34.315 351 HG3 ARG 639 2HG ARG 639 6.605 14.052 -33.455 352 HD2 ARG 639 1HD ARG 639 6.234 11.903 -34.234 353 HD3 ARG 639 2HD ARG 639 4.508 12.189 -34.524 354 HE ARG 639 HE ARG 639 5.839 13.917 -36.257 355 HH11 ARG 639 1HH1 ARG 639 5.656 10.393 -35.824 356 HH12 ARG 639 2HH1 ARG 639 5.984 10.102 -37.520 357 HH21 ARG 639 1HH2 ARG 639 6.245 13.451 -38.366 358 HH22 ARG 639 2HH2 ARG 639 6.314 11.800 -38.929 359 H ALA 640 H ALA 640 3.341 15.691 -34.613 360 HA ALA 640 HA ALA 640 1.779 13.710 -36.203 361 HB1 ALA 640 1HB ALA 640 0.425 15.720 -35.339 362 HB2 ALA 640 2HB ALA 640 1.406 16.686 -36.469 363 HB3 ALA 640 3HB ALA 640 0.390 15.373 -37.082 364 H LEU 641 H LEU 641 1.878 14.454 -38.630 365 HA LEU 641 HA LEU 641 4.599 14.307 -39.426 366 HB2 LEU 641 1HB LEU 641 1.970 14.642 -40.679 367 HB3 LEU 641 2HB LEU 641 3.234 15.498 -41.549 368 HG LEU 641 HG LEU 641 2.766 13.255 -42.459 369 HD11 LEU 641 1HD1 LEU 641 5.566 13.521 -41.292 370 HD12 LEU 641 2HD1 LEU 641 4.974 14.313 -42.769 371 HD13 LEU 641 3HD1 LEU 641 5.092 12.543 -42.701 372 HD21 LEU 641 1HD2 LEU 641 3.997 12.128 -39.915 373 HD22 LEU 641 2HD2 LEU 641 3.397 11.221 -41.321 374 HD23 LEU 641 3HD2 LEU 641 2.267 12.107 -40.286 375 H SER 642 H SER 642 2.398 17.115 -39.177 376 HA SER 642 HA SER 642 4.715 18.918 -39.715 377 HB2 SER 642 1HB SER 642 2.606 19.085 -41.085 378 HB3 SER 642 2HB SER 642 1.764 19.599 -39.609 379 HG SER 642 HG SER 642 3.411 21.281 -39.474 380 H SER 643 H SER 643 3.555 17.545 -36.988 381 HA SER 643 HA SER 643 3.871 20.089 -35.448 382 HB2 SER 643 1HB SER 643 1.824 17.924 -34.903 383 HB3 SER 643 2HB SER 643 2.178 19.286 -33.843 384 HG SER 643 HG SER 643 1.007 19.325 -36.432 385 H GLU 644 H GLU 644 4.823 20.065 -33.526 386 HA GLU 644 HA GLU 644 6.889 18.201 -33.038 387 HB2 GLU 644 1HB GLU 644 7.283 19.545 -31.065 388 HB3 GLU 644 2HB GLU 644 6.735 20.628 -32.360 389 HG2 GLU 644 1HG GLU 644 4.390 20.444 -31.400 390 HG3 GLU 644 2HG GLU 644 5.080 19.567 -30.029 391 H TRP 645 H TRP 645 7.345 16.998 -31.092 392 HA TRP 645 HA TRP 645 5.198 15.359 -30.032 393 HB2 TRP 645 1HB TRP 645 8.142 15.734 -29.433 394 HB3 TRP 645 2HB TRP 645 7.107 14.886 -28.282 395 HD1 TRP 645 HD1 TRP 645 9.166 14.215 -31.281 396 HE1 TRP 645 HE1 TRP 645 8.839 11.840 -32.147 397 HE3 TRP 645 HE3 TRP 645 4.930 13.090 -28.657 398 HZ2 TRP 645 HZ2 TRP 645 6.991 9.702 -31.728 399 HZ3 TRP 645 HZ3 TRP 645 3.910 10.817 -28.926 400 HH2 TRP 645 HH2 TRP 645 4.954 9.145 -30.455 401 H LYS 646 H LYS 646 3.651 16.621 -28.995 402 HA LYS 646 HA LYS 646 4.347 18.708 -27.104 403 HB2 LYS 646 1HB LYS 646 1.879 17.060 -27.659 404 HB3 LYS 646 2HB LYS 646 1.991 17.947 -26.135 405 HG2 LYS 646 1HG LYS 646 0.844 19.415 -27.539 406 HG3 LYS 646 2HG LYS 646 2.506 20.027 -27.545 407 HD2 LYS 646 1HD LYS 646 2.889 18.827 -29.703 408 HD3 LYS 646 2HD LYS 646 1.190 18.325 -29.695 409 HE2 LYS 646 1HE LYS 646 0.525 20.729 -29.636 410 HE3 LYS 646 2HE LYS 646 2.245 21.177 -29.729 411 HZ1 LYS 646 1HZ LYS 646 2.273 19.809 -31.823 412 HZ2 LYS 646 2HZ LYS 646 1.430 21.225 -31.910 413 HZ3 LYS 646 3HZ LYS 646 0.617 19.795 -31.770 414 HA PRO 647 HA PRO 647 6.057 15.808 -24.341 415 HB2 PRO 647 1HB PRO 647 6.386 17.260 -22.049 416 HB3 PRO 647 2HB PRO 647 7.346 17.545 -23.536 417 HG2 PRO 647 1HG PRO 647 4.893 19.003 -22.570 418 HG3 PRO 647 2HG PRO 647 6.453 19.672 -23.142 419 HD2 PRO 647 1HD PRO 647 4.276 19.470 -24.764 420 HD3 PRO 647 2HD PRO 647 5.952 19.239 -25.383 421 H GLU 648 H GLU 648 3.359 17.639 -22.757 422 HA GLU 648 HA GLU 648 2.258 15.088 -21.799 423 HB2 GLU 648 1HB GLU 648 3.930 15.794 -20.050 424 HB3 GLU 648 2HB GLU 648 3.058 17.323 -19.896 425 HG2 GLU 648 1HG GLU 648 0.988 15.877 -19.325 426 HG3 GLU 648 2HG GLU 648 2.130 14.552 -19.114 427 H ILE 649 H ILE 649 0.081 15.193 -21.821 428 HA ILE 649 HA ILE 649 -1.191 17.855 -21.378 429 HB ILE 649 HB ILE 649 -2.430 15.367 -22.630 430 HG12 ILE 649 1HG1 ILE 649 -0.819 16.360 -24.174 431 HG13 ILE 649 2HG1 ILE 649 -2.465 16.589 -24.741 432 HG21 ILE 649 1HG2 ILE 649 -4.352 16.890 -23.139 433 HG22 ILE 649 2HG2 ILE 649 -4.080 16.660 -21.401 434 HG23 ILE 649 3HG2 ILE 649 -3.557 18.166 -22.183 435 HD11 ILE 649 1HD1 ILE 649 -2.419 18.960 -24.001 436 HD12 ILE 649 2HD1 ILE 649 -0.757 18.737 -23.405 437 HD13 ILE 649 3HD1 ILE 649 -1.106 18.604 -25.135 438 H ARG 650 H ARG 650 -1.628 17.992 -19.331 439 HA ARG 650 HA ARG 650 -1.612 15.826 -17.462 440 HB2 ARG 650 1HB ARG 650 -2.164 17.459 -15.831 441 HB3 ARG 650 2HB ARG 650 -1.286 18.408 -17.035 442 HG2 ARG 650 1HG ARG 650 -3.575 19.130 -18.010 443 HG3 ARG 650 2HG ARG 650 -4.412 18.280 -16.701 444 HD2 ARG 650 1HD ARG 650 -3.072 19.716 -15.057 445 HD3 ARG 650 2HD ARG 650 -2.450 20.633 -16.441 446 HE ARG 650 HE ARG 650 -4.548 21.609 -16.762 447 HH11 ARG 650 1HH1 ARG 650 -4.789 19.184 -14.205 448 HH12 ARG 650 2HH1 ARG 650 -6.356 19.749 -13.691 449 HH21 ARG 650 1HH2 ARG 650 -6.558 22.255 -16.063 450 HH22 ARG 650 2HH2 ARG 650 -7.336 21.453 -14.727 451 H LEU 651 H LEU 651 -3.337 14.579 -16.630 452 HA LEU 651 HA LEU 651 -5.837 16.003 -16.567 453 HB2 LEU 651 1HB LEU 651 -5.606 13.687 -18.363 454 HB3 LEU 651 2HB LEU 651 -6.979 13.642 -17.273 455 HG LEU 651 HG LEU 651 -8.055 14.707 -18.909 456 HD11 LEU 651 1HD1 LEU 651 -7.904 17.267 -19.014 457 HD12 LEU 651 2HD1 LEU 651 -6.520 17.238 -17.863 458 HD13 LEU 651 3HD1 LEU 651 -8.153 16.617 -17.394 459 HD21 LEU 651 1HD2 LEU 651 -7.194 15.345 -20.896 460 HD22 LEU 651 2HD2 LEU 651 -5.741 14.517 -20.292 461 HD23 LEU 651 3HD2 LEU 651 -5.870 16.281 -20.176 462 HA PRO 652 HA PRO 652 -5.832 14.147 -12.677 463 HB2 PRO 652 1HB PRO 652 -8.330 14.575 -11.742 464 HB3 PRO 652 2HB PRO 652 -7.265 15.967 -12.141 465 HG2 PRO 652 1HG PRO 652 -9.391 14.665 -13.831 466 HG3 PRO 652 2HG PRO 652 -9.213 16.389 -13.408 467 HD2 PRO 652 1HD PRO 652 -8.282 15.363 -15.738 468 HD3 PRO 652 2HD PRO 652 -7.411 16.679 -14.878 469 H SER 653 H SER 653 -6.896 12.454 -11.307 470 HA SER 653 HA SER 653 -7.248 10.031 -12.661 471 HB2 SER 653 1HB SER 653 -8.121 9.257 -10.448 472 HB3 SER 653 2HB SER 653 -6.612 10.193 -10.349 473 HG SER 653 HG SER 653 -8.242 10.814 -8.806 474 H GLY 654 H GLY 654 -9.698 12.404 -11.706 475 HA2 GLY 654 1HA GLY 654 -11.889 10.553 -12.330 476 HA3 GLY 654 2HA GLY 654 -12.026 12.201 -11.710 477 H SER 655 H SER 655 -10.330 11.060 -14.670 478 HA SER 655 HA SER 655 -12.263 12.739 -16.231 479 HB2 SER 655 1HB SER 655 -9.885 13.626 -16.071 480 HB3 SER 655 2HB SER 655 -9.361 12.182 -16.958 481 HG SER 655 HG SER 655 -10.404 12.900 -18.744 482 H ASP 656 H ASP 656 -13.584 11.382 -17.352 483 HA ASP 656 HA ASP 656 -12.980 8.577 -17.703 484 HB2 ASP 656 1HB ASP 656 -15.217 10.440 -18.371 485 HB3 ASP 656 2HB ASP 656 -15.072 8.994 -19.380 486 H HIS 657 H HIS 657 -12.299 11.367 -19.663 487 HA HIS 657 HA HIS 657 -11.080 9.633 -21.680 488 HB2 HIS 657 1HB HIS 657 -12.260 10.476 -23.571 489 HB3 HIS 657 2HB HIS 657 -13.488 9.908 -22.438 490 HD1 HIS 657 HD1 HIS 657 -14.879 11.841 -21.176 491 HD2 HIS 657 HD2 HIS 657 -12.340 13.131 -24.205 492 HE1 HIS 657 HE1 HIS 657 -15.551 14.214 -21.726 493 H VAL 658 H VAL 658 -9.965 11.076 -23.348 494 HA VAL 658 HA VAL 658 -9.365 13.776 -22.231 495 HB VAL 658 HB VAL 658 -7.383 12.677 -21.567 496 HG11 VAL 658 1HG1 VAL 658 -7.437 11.127 -24.170 497 HG12 VAL 658 2HG1 VAL 658 -6.143 11.047 -22.957 498 HG13 VAL 658 3HG1 VAL 658 -7.774 10.490 -22.549 499 HG21 VAL 658 1HG2 VAL 658 -5.629 13.543 -22.964 500 HG22 VAL 658 2HG2 VAL 658 -6.664 13.519 -24.407 501 HG23 VAL 658 3HG2 VAL 658 -6.984 14.673 -23.091 502 H MET 659 H MET 659 -9.526 15.309 -23.707 503 HA MET 659 HA MET 659 -9.978 14.464 -26.534 504 HB2 MET 659 1HB MET 659 -11.689 15.777 -24.893 505 HB3 MET 659 2HB MET 659 -10.818 17.162 -25.554 506 HG2 MET 659 1HG MET 659 -12.069 15.002 -27.253 507 HG3 MET 659 2HG MET 659 -12.931 16.466 -26.755 508 HE1 MET 659 1HE MET 659 -12.107 15.392 -30.002 509 HE2 MET 659 2HE MET 659 -13.386 16.462 -29.369 510 HE3 MET 659 3HE MET 659 -12.225 17.071 -30.561 511 H LEU 660 H LEU 660 -8.201 14.774 -27.708 512 HA LEU 660 HA LEU 660 -6.196 16.810 -26.849 513 HB2 LEU 660 1HB LEU 660 -6.127 14.654 -28.985 514 HB3 LEU 660 2HB LEU 660 -4.790 15.728 -28.589 515 HG LEU 660 HG LEU 660 -5.977 13.667 -26.707 516 HD11 LEU 660 1HD1 LEU 660 -3.394 13.695 -28.307 517 HD12 LEU 660 2HD1 LEU 660 -4.830 12.702 -28.659 518 HD13 LEU 660 3HD1 LEU 660 -3.918 12.440 -27.164 519 HD21 LEU 660 1HD2 LEU 660 -3.501 15.435 -26.480 520 HD22 LEU 660 2HD2 LEU 660 -3.957 14.144 -25.350 521 HD23 LEU 660 3HD2 LEU 660 -4.982 15.575 -25.500 522 H LYS 661 H LYS 661 -5.229 18.203 -28.496 523 HA LYS 661 HA LYS 661 -6.614 18.608 -31.025 524 HB2 LYS 661 1HB LYS 661 -7.225 20.982 -30.553 525 HB3 LYS 661 2HB LYS 661 -8.201 19.804 -29.701 526 HG2 LYS 661 1HG LYS 661 -6.247 20.333 -27.815 527 HG3 LYS 661 2HG LYS 661 -6.428 21.905 -28.627 528 HD2 LYS 661 1HD LYS 661 -8.003 21.913 -26.864 529 HD3 LYS 661 2HD LYS 661 -8.974 21.513 -28.307 530 HE2 LYS 661 1HE LYS 661 -8.728 19.110 -27.786 531 HE3 LYS 661 2HE LYS 661 -7.726 19.516 -26.392 532 HZ1 LYS 661 1HZ LYS 661 -9.687 20.619 -25.439 533 HZ2 LYS 661 2HZ LYS 661 -9.948 19.013 -25.717 534 HZ3 LYS 661 3HZ LYS 661 -10.598 20.141 -26.731 535 H SER 662 H SER 662 -5.610 20.946 -31.807 536 HA SER 662 HA SER 662 -3.680 21.868 -32.643 537 HB2 SER 662 1HB SER 662 -2.456 21.198 -29.940 538 HB3 SER 662 2HB SER 662 -1.883 22.411 -31.103 539 HG SER 662 HG SER 662 -3.588 23.679 -30.640 540 H LEU 663 H LEU 663 -4.176 19.523 -33.582 541 HA LEU 663 HA LEU 663 -1.550 18.195 -33.921 542 HB2 LEU 663 1HB LEU 663 -2.773 15.996 -33.899 543 HB3 LEU 663 2HB LEU 663 -2.645 16.776 -32.338 544 HG LEU 663 HG LEU 663 -5.094 17.617 -32.807 545 HD11 LEU 663 1HD1 LEU 663 -4.849 15.253 -34.674 546 HD12 LEU 663 2HD1 LEU 663 -5.441 16.878 -35.047 547 HD13 LEU 663 3HD1 LEU 663 -6.393 15.812 -33.999 548 HD21 LEU 663 1HD2 LEU 663 -5.905 15.599 -31.676 549 HD22 LEU 663 2HD2 LEU 663 -4.340 16.106 -31.008 550 HD23 LEU 663 3HD2 LEU 663 -4.423 14.726 -32.132 551 H ASP 664 H ASP 664 -1.589 16.996 -36.026 552 HA ASP 664 HA ASP 664 -2.863 18.611 -38.050 553 HB2 ASP 664 1HB ASP 664 -1.546 15.870 -38.279 554 HB3 ASP 664 2HB ASP 664 -1.997 16.917 -39.629 555 H TRP 665 H TRP 665 -4.681 18.083 -39.323 556 HA TRP 665 HA TRP 665 -6.183 15.652 -38.416 557 HB2 TRP 665 1HB TRP 665 -8.193 16.962 -39.357 558 HB3 TRP 665 2HB TRP 665 -7.518 17.449 -37.800 559 HD1 TRP 665 HD1 TRP 665 -6.029 19.748 -37.769 560 HE1 TRP 665 HE1 TRP 665 -6.107 21.849 -39.179 561 HE3 TRP 665 HE3 TRP 665 -8.654 17.829 -41.722 562 HZ2 TRP 665 HZ2 TRP 665 -7.123 22.610 -41.739 563 HZ3 TRP 665 HZ3 TRP 665 -9.151 19.335 -43.666 564 HH2 TRP 665 HH2 TRP 665 -8.375 21.699 -43.664 565 H ASN 666 H ASN 666 -5.127 17.612 -41.161 566 HA ASN 666 HA ASN 666 -6.251 15.693 -43.101 567 HB2 ASN 666 1HB ASN 666 -5.435 17.290 -44.755 568 HB3 ASN 666 2HB ASN 666 -6.335 18.153 -43.503 569 HD21 ASN 666 1HD2 ASN 666 -2.684 19.332 -44.383 570 HD22 ASN 666 2HD2 ASN 666 -3.720 18.350 -45.393 571 H ALA 667 H ALA 667 -3.743 15.454 -41.105 572 HA ALA 667 HA ALA 667 -2.155 13.902 -43.047 573 HB1 ALA 667 1HB ALA 667 -0.043 14.869 -42.336 574 HB2 ALA 667 2HB ALA 667 -1.088 16.208 -42.854 575 HB3 ALA 667 3HB ALA 667 -0.845 15.883 -41.124 576 H GLU 668 H GLU 668 -0.482 12.630 -41.673 577 HA GLU 668 HA GLU 668 -2.081 11.212 -39.694 578 HB2 GLU 668 1HB GLU 668 -0.636 10.267 -41.595 579 HB3 GLU 668 2HB GLU 668 0.751 10.663 -40.593 580 HG2 GLU 668 1HG GLU 668 0.567 8.636 -39.743 581 HG3 GLU 668 2HG GLU 668 -0.847 9.238 -38.864 582 H TYR 669 H TYR 669 -1.658 10.826 -37.564 583 HA TYR 669 HA TYR 669 0.769 11.994 -36.371 584 HB2 TYR 669 1HB TYR 669 -0.459 13.200 -34.655 585 HB3 TYR 669 2HB TYR 669 -0.883 13.797 -36.257 586 HD1 TYR 669 HD1 TYR 669 -3.087 13.371 -37.245 587 HD2 TYR 669 HD2 TYR 669 -2.118 12.119 -33.245 588 HE1 TYR 669 HE1 TYR 669 -5.491 13.143 -36.734 589 HE2 TYR 669 HE2 TYR 669 -4.544 11.892 -32.739 590 HH TYR 669 HH TYR 669 -7.028 12.767 -35.165 591 H GLU 670 H GLU 670 1.145 11.287 -34.193 592 HA GLU 670 HA GLU 670 -0.202 8.677 -33.595 593 HB2 GLU 670 1HB GLU 670 1.963 7.850 -32.808 594 HB3 GLU 670 2HB GLU 670 2.054 8.330 -34.506 595 HG2 GLU 670 1HG GLU 670 3.083 10.510 -33.782 596 HG3 GLU 670 2HG GLU 670 3.117 9.891 -32.124 597 H VAL 671 H VAL 671 -0.588 8.216 -31.439 598 HA VAL 671 HA VAL 671 -0.040 10.428 -29.482 599 HB VAL 671 HB VAL 671 -2.604 8.805 -29.802 600 HG11 VAL 671 1HG1 VAL 671 -1.891 10.998 -27.814 601 HG12 VAL 671 2HG1 VAL 671 -3.516 10.308 -28.032 602 HG13 VAL 671 3HG1 VAL 671 -2.199 9.284 -27.445 603 HG21 VAL 671 1HG2 VAL 671 -2.505 10.484 -31.553 604 HG22 VAL 671 2HG2 VAL 671 -3.684 10.998 -30.334 605 HG23 VAL 671 3HG2 VAL 671 -2.072 11.745 -30.377 606 H TYR 672 H TYR 672 0.793 9.726 -27.590 607 HA TYR 672 HA TYR 672 0.508 6.822 -26.863 608 HB2 TYR 672 1HB TYR 672 2.805 8.779 -26.510 609 HB3 TYR 672 2HB TYR 672 2.627 7.349 -25.483 610 HD1 TYR 672 HD1 TYR 672 3.394 5.233 -26.189 611 HD2 TYR 672 HD2 TYR 672 2.944 8.394 -29.064 612 HE1 TYR 672 HE1 TYR 672 4.465 3.802 -27.920 613 HE2 TYR 672 HE2 TYR 672 4.048 6.970 -30.793 614 HH TYR 672 HH TYR 672 5.004 4.984 -31.271 615 H VAL 673 H VAL 673 -0.263 6.463 -24.790 616 HA VAL 673 HA VAL 673 -0.572 8.832 -23.014 617 HB VAL 673 HB VAL 673 -2.670 8.837 -24.182 618 HG11 VAL 673 1HG1 VAL 673 -2.650 5.826 -23.861 619 HG12 VAL 673 2HG1 VAL 673 -4.129 6.729 -24.262 620 HG13 VAL 673 3HG1 VAL 673 -2.728 6.785 -25.350 621 HG21 VAL 673 1HG2 VAL 673 -4.294 8.440 -22.449 622 HG22 VAL 673 2HG2 VAL 673 -3.220 7.298 -21.621 623 HG23 VAL 673 3HG2 VAL 673 -2.800 9.017 -21.681 624 H VAL 674 H VAL 674 -0.386 8.369 -20.877 625 HA VAL 674 HA VAL 674 -0.339 5.503 -20.054 626 HB VAL 674 HB VAL 674 1.660 5.955 -18.599 627 HG11 VAL 674 1HG1 VAL 674 2.061 4.807 -20.647 628 HG12 VAL 674 2HG1 VAL 674 2.071 6.317 -21.589 629 HG13 VAL 674 3HG1 VAL 674 3.377 5.969 -20.424 630 HG21 VAL 674 1HG2 VAL 674 3.086 7.907 -19.018 631 HG22 VAL 674 2HG2 VAL 674 1.909 8.541 -20.190 632 HG23 VAL 674 3HG2 VAL 674 1.478 8.411 -18.469 633 H ALA 675 H ALA 675 -0.543 5.240 -17.747 634 HA ALA 675 HA ALA 675 -2.024 7.491 -16.428 635 HB1 ALA 675 1HB ALA 675 -3.219 5.323 -16.941 636 HB2 ALA 675 2HB ALA 675 -2.147 4.560 -15.750 637 HB3 ALA 675 3HB ALA 675 -3.237 5.871 -15.257 638 H GLU 676 H GLU 676 -1.439 7.989 -14.308 639 HA GLU 676 HA GLU 676 1.040 6.639 -13.283 640 HB2 GLU 676 1HB GLU 676 1.383 8.938 -14.227 641 HB3 GLU 676 2HB GLU 676 0.246 9.568 -13.042 642 HG2 GLU 676 1HG GLU 676 1.728 8.795 -11.244 643 HG3 GLU 676 2HG GLU 676 2.851 8.177 -12.469 644 H ASN 677 H ASN 677 0.338 5.434 -11.585 645 HA ASN 677 HA ASN 677 -1.872 6.587 -9.964 646 HB2 ASN 677 1HB ASN 677 -2.663 4.523 -9.546 647 HB3 ASN 677 2HB ASN 677 -1.794 4.107 -11.011 648 HD21 ASN 677 1HD2 ASN 677 -1.095 1.816 -8.077 649 HD22 ASN 677 2HD2 ASN 677 -2.588 2.547 -8.643 650 H GLN 678 H GLN 678 -1.525 5.913 -7.496 651 HA GLN 678 HA GLN 678 0.613 7.647 -6.788 652 HB2 GLN 678 1HB GLN 678 -1.602 7.326 -5.702 653 HB3 GLN 678 2HB GLN 678 -0.991 5.823 -4.976 654 HG2 GLN 678 1HG GLN 678 0.628 7.038 -3.660 655 HG3 GLN 678 2HG GLN 678 0.320 8.531 -4.567 656 HE21 GLN 678 1HE2 GLN 678 -1.777 7.804 -1.280 657 HE22 GLN 678 2HE2 GLN 678 -0.306 6.968 -1.722 658 H GLN 679 H GLN 679 0.966 4.381 -7.611 659 HA GLN 679 HA GLN 679 3.462 4.247 -5.973 660 HB2 GLN 679 1HB GLN 679 1.318 2.268 -6.405 661 HB3 GLN 679 2HB GLN 679 2.942 1.652 -6.654 662 HG2 GLN 679 1HG GLN 679 2.706 1.204 -4.421 663 HG3 GLN 679 2HG GLN 679 3.495 2.778 -4.348 664 HE21 GLN 679 1HE2 GLN 679 -0.355 3.672 -3.766 665 HE22 GLN 679 2HE2 GLN 679 0.406 3.452 -5.324 666 H GLY 680 H GLY 680 2.213 4.234 -9.227 667 HA2 GLY 680 1HA GLY 680 4.811 4.109 -10.376 668 HA3 GLY 680 2HA GLY 680 4.082 2.501 -10.451 669 H LYS 681 H LYS 681 4.283 2.869 -12.853 670 HA LYS 681 HA LYS 681 1.997 4.566 -13.834 671 HB2 LYS 681 1HB LYS 681 4.778 4.228 -14.971 672 HB3 LYS 681 2HB LYS 681 3.420 4.857 -15.908 673 HG2 LYS 681 1HG LYS 681 3.349 6.330 -13.538 674 HG3 LYS 681 2HG LYS 681 5.073 6.185 -13.902 675 HD2 LYS 681 1HD LYS 681 3.574 6.808 -16.323 676 HD3 LYS 681 2HD LYS 681 3.195 7.973 -15.051 677 HE2 LYS 681 1HE LYS 681 6.017 7.181 -15.761 678 HE3 LYS 681 2HE LYS 681 5.152 8.520 -16.551 679 HZ1 LYS 681 1HZ LYS 681 5.783 8.313 -13.660 680 HZ2 LYS 681 2HZ LYS 681 4.844 9.504 -14.302 681 HZ3 LYS 681 3HZ LYS 681 6.436 9.384 -14.729 682 H SER 682 H SER 682 1.190 4.049 -15.961 683 HA SER 682 HA SER 682 0.813 1.123 -16.129 684 HB2 SER 682 1HB SER 682 -1.058 1.589 -17.480 685 HB3 SER 682 2HB SER 682 -1.047 2.919 -16.330 686 HG SER 682 HG SER 682 -0.180 2.929 -19.034 687 H LYS 683 H LYS 683 0.855 0.050 -18.248 688 HA LYS 683 HA LYS 683 3.251 0.684 -19.769 689 HB2 LYS 683 1HB LYS 683 2.002 -1.614 -19.559 690 HB3 LYS 683 2HB LYS 683 0.921 -0.954 -20.795 691 HG2 LYS 683 1HG LYS 683 2.913 -0.570 -22.270 692 HG3 LYS 683 2HG LYS 683 3.915 -1.401 -21.074 693 HD2 LYS 683 1HD LYS 683 1.502 -2.649 -22.447 694 HD3 LYS 683 2HD LYS 683 3.170 -2.807 -23.027 695 HE2 LYS 683 1HE LYS 683 3.802 -3.804 -20.810 696 HE3 LYS 683 2HE LYS 683 2.083 -3.782 -20.355 697 HZ1 LYS 683 1HZ LYS 683 3.228 -5.231 -22.679 698 HZ2 LYS 683 2HZ LYS 683 1.632 -5.211 -22.264 699 HZ3 LYS 683 3HZ LYS 683 2.735 -5.926 -21.266 700 H ALA 684 H ALA 684 3.301 1.739 -21.817 701 HA ALA 684 HA ALA 684 1.253 3.733 -22.236 702 HB1 ALA 684 1HB ALA 684 3.524 2.814 -24.060 703 HB2 ALA 684 2HB ALA 684 2.603 4.330 -24.203 704 HB3 ALA 684 3HB ALA 684 3.669 4.069 -22.802 705 H ALA 685 H ALA 685 -0.213 3.914 -23.882 706 HA ALA 685 HA ALA 685 -0.563 1.545 -25.681 707 HB1 ALA 685 1HB ALA 685 -2.432 1.725 -23.947 708 HB2 ALA 685 2HB ALA 685 -2.781 3.347 -24.592 709 HB3 ALA 685 3HB ALA 685 -2.978 1.918 -25.627 710 H HIS 686 H HIS 686 -0.832 2.235 -27.844 711 HA HIS 686 HA HIS 686 -0.797 5.148 -28.309 712 HB2 HIS 686 1HB HIS 686 1.003 4.757 -30.026 713 HB3 HIS 686 2HB HIS 686 1.487 4.608 -28.339 714 HD1 HIS 686 HD1 HIS 686 0.797 2.409 -31.363 715 HD2 HIS 686 HD2 HIS 686 2.491 2.192 -27.574 716 HE1 HIS 686 HE1 HIS 686 1.928 0.157 -31.201 717 H PHE 687 H PHE 687 -1.541 5.859 -30.291 718 HA PHE 687 HA PHE 687 -2.431 3.820 -32.216 719 HB2 PHE 687 1HB PHE 687 -4.694 4.283 -32.209 720 HB3 PHE 687 2HB PHE 687 -4.304 4.288 -30.485 721 HD1 PHE 687 HD1 PHE 687 -4.026 6.504 -29.280 722 HD2 PHE 687 HD2 PHE 687 -5.602 6.189 -33.273 723 HE1 PHE 687 HE1 PHE 687 -5.070 8.757 -29.048 724 HE2 PHE 687 HE2 PHE 687 -6.603 8.437 -33.061 725 HZ PHE 687 HZ PHE 687 -6.356 9.730 -30.944 726 H VAL 688 H VAL 688 -3.031 4.783 -34.280 727 HA VAL 688 HA VAL 688 -1.726 7.436 -34.725 728 HB VAL 688 HB VAL 688 -1.545 4.895 -36.437 729 HG11 VAL 688 1HG1 VAL 688 -0.284 7.633 -36.851 730 HG12 VAL 688 2HG1 VAL 688 0.049 6.179 -37.822 731 HG13 VAL 688 3HG1 VAL 688 -1.569 6.897 -37.839 732 HG21 VAL 688 1HG2 VAL 688 0.898 4.998 -35.899 733 HG22 VAL 688 2HG2 VAL 688 0.572 6.335 -34.773 734 HG23 VAL 688 3HG2 VAL 688 -0.102 4.720 -34.463 735 H PHE 689 H PHE 689 -2.850 8.764 -36.231 736 HA PHE 689 HA PHE 689 -5.205 7.621 -37.595 737 HB2 PHE 689 1HB PHE 689 -5.929 8.087 -35.253 738 HB3 PHE 689 2HB PHE 689 -5.482 9.780 -35.469 739 HD1 PHE 689 HD1 PHE 689 -6.972 11.312 -36.525 740 HD2 PHE 689 HD2 PHE 689 -7.781 7.096 -36.684 741 HE1 PHE 689 HE1 PHE 689 -9.231 11.798 -37.415 742 HE2 PHE 689 HE2 PHE 689 -10.040 7.566 -37.627 743 HZ PHE 689 HZ PHE 689 -10.771 9.925 -37.992 744 H ARG 690 H ARG 690 -6.231 9.016 -39.067 745 HA ARG 690 HA ARG 690 -5.353 11.774 -39.469 746 HB2 ARG 690 1HB ARG 690 -4.817 11.398 -41.903 747 HB3 ARG 690 2HB ARG 690 -3.622 10.786 -40.781 748 HG2 ARG 690 1HG ARG 690 -3.648 9.037 -42.208 749 HG3 ARG 690 2HG ARG 690 -4.909 8.494 -41.100 750 HD2 ARG 690 1HD ARG 690 -6.584 9.573 -42.668 751 HD3 ARG 690 2HD ARG 690 -5.248 9.818 -43.801 752 HE ARG 690 HE ARG 690 -5.200 7.534 -44.242 753 HH11 ARG 690 1HH1 ARG 690 -7.374 8.085 -41.498 754 HH12 ARG 690 2HH1 ARG 690 -8.012 6.461 -41.578 755 HH21 ARG 690 1HH2 ARG 690 -6.058 5.492 -44.256 756 HH22 ARG 690 2HH2 ARG 690 -7.281 5.028 -43.105 757 H THR 691 H THR 691 -6.934 12.882 -40.818 758 HA THR 691 HA THR 691 -9.275 11.241 -41.659 759 HB THR 691 HB THR 691 -9.802 12.089 -39.369 760 HG1 THR 691 HG1 THR 691 -11.801 12.936 -39.974 761 HG21 THR 691 1HG2 THR 691 -8.557 14.162 -39.283 762 HG22 THR 691 2HG2 THR 691 -10.285 14.507 -39.073 763 HG23 THR 691 3HG2 THR 691 -9.499 14.833 -40.633 764 H HIS 692 H HIS 692 -10.837 13.281 -42.643 765 HA HIS 692 HA HIS 692 -11.088 14.566 -44.522 766 HB2 HIS 692 1HB HIS 692 -9.732 16.033 -42.823 767 HB3 HIS 692 2HB HIS 692 -8.426 15.865 -44.000 768 HD1 HIS 692 HD1 HIS 692 -11.826 17.454 -43.541 769 HD2 HIS 692 HD2 HIS 692 -8.808 17.246 -46.395 770 HE1 HIS 692 HE1 HIS 692 -12.333 19.230 -45.265 771 H HIS 693 H HIS 693 -9.896 12.027 -44.985 772 HA HIS 693 HA HIS 693 -7.980 12.558 -47.213 773 HB2 HIS 693 1HB HIS 693 -7.477 10.112 -46.983 774 HB3 HIS 693 2HB HIS 693 -7.065 11.077 -45.562 775 HD1 HIS 693 HD1 HIS 693 -8.436 10.656 -43.381 776 HD2 HIS 693 HD2 HIS 693 -9.565 8.276 -46.597 777 HE1 HIS 693 HE1 HIS 693 -9.954 8.866 -42.454 778 H HIS 694 H HIS 694 -10.942 12.913 -47.238 779 HA HIS 694 HA HIS 694 -12.097 10.748 -48.769 780 HB2 HIS 694 1HB HIS 694 -13.504 12.341 -47.541 781 HB3 HIS 694 2HB HIS 694 -12.841 13.686 -48.480 782 HD1 HIS 694 HD1 HIS 694 -15.093 10.636 -48.947 783 HD2 HIS 694 HD2 HIS 694 -14.050 14.176 -50.866 784 HE1 HIS 694 HE1 HIS 694 -16.649 10.881 -50.926 785 H HIS 695 H HIS 695 -12.240 10.508 -50.995 786 HA HIS 695 HA HIS 695 -11.009 12.599 -52.697 787 HB2 HIS 695 1HB HIS 695 -9.362 10.713 -52.034 788 HB3 HIS 695 2HB HIS 695 -10.353 9.668 -53.058 789 HD1 HIS 695 HD1 HIS 695 -8.074 12.700 -53.251 790 HD2 HIS 695 HD2 HIS 695 -9.972 9.995 -55.782 791 HE1 HIS 695 HE1 HIS 695 -7.127 13.080 -55.560 792 H HIS 696 H HIS 696 -11.767 12.524 -54.856 793 HA HIS 696 HA HIS 696 -14.498 11.677 -55.130 794 HB2 HIS 696 1HB HIS 696 -13.564 13.667 -56.249 795 HB3 HIS 696 2HB HIS 696 -12.409 12.658 -57.125 796 HD1 HIS 696 HD1 HIS 696 -15.931 11.344 -57.023 797 HD2 HIS 696 HD2 HIS 696 -13.523 13.659 -59.497 798 HE1 HIS 696 HE1 HIS 696 -17.106 11.488 -59.249 799 H HIS 697 H HIS 697 -15.323 9.843 -55.865 800 HA HIS 697 HA HIS 697 -13.778 8.000 -57.585 801 HB2 HIS 697 1HB HIS 697 -15.236 7.281 -54.996 802 HB3 HIS 697 2HB HIS 697 -14.799 6.105 -56.239 803 HD1 HIS 697 HD1 HIS 697 -13.124 8.442 -53.728 804 HD2 HIS 697 HD2 HIS 697 -12.256 5.153 -56.112 805 HE1 HIS 697 HE1 HIS 697 -10.833 7.636 -53.043 Start of MODEL 2 1 H1 MET 595 1H MET 595 4.020 0.831 0.614 2 H2 MET 595 2H MET 595 3.323 -0.647 0.389 3 H3 MET 595 3H MET 595 4.936 -0.444 0.106 4 HA MET 595 HA MET 595 2.753 0.832 -1.407 5 HB2 MET 595 1HB MET 595 4.470 1.684 -2.876 6 HB3 MET 595 2HB MET 595 4.768 2.224 -1.230 7 HG2 MET 595 1HG MET 595 6.513 0.460 -0.998 8 HG3 MET 595 2HG MET 595 6.254 0.020 -2.698 9 HE1 MET 595 1HE MET 595 6.962 1.441 -4.778 10 HE2 MET 595 2HE MET 595 5.898 2.790 -4.310 11 HE3 MET 595 3HE MET 595 7.606 3.096 -4.692 12 H GLN 596 H GLN 596 5.091 -1.825 -1.135 13 HA GLN 596 HA GLN 596 5.075 -2.811 -3.708 14 HB2 GLN 596 1HB GLN 596 5.186 -4.372 -1.107 15 HB3 GLN 596 2HB GLN 596 5.757 -4.931 -2.682 16 HG2 GLN 596 1HG GLN 596 7.763 -4.191 -1.923 17 HG3 GLN 596 2HG GLN 596 7.182 -2.625 -2.501 18 HE21 GLN 596 1HE2 GLN 596 8.285 -2.952 1.272 19 HE22 GLN 596 2HE2 GLN 596 8.785 -3.972 -0.055 20 HA PRO 597 HA PRO 597 1.552 -5.753 -3.127 21 HB2 PRO 597 1HB PRO 597 -0.676 -5.174 -1.699 22 HB3 PRO 597 2HB PRO 597 0.766 -5.917 -0.935 23 HG2 PRO 597 1HG PRO 597 -0.027 -3.022 -1.042 24 HG3 PRO 597 2HG PRO 597 0.388 -4.025 0.386 25 HD2 PRO 597 1HD PRO 597 2.212 -2.432 -0.801 26 HD3 PRO 597 2HD PRO 597 2.673 -4.040 -0.143 27 H VAL 598 H VAL 598 1.386 -2.371 -3.648 28 HA VAL 598 HA VAL 598 -1.125 -2.577 -5.222 29 HB VAL 598 HB VAL 598 0.616 -0.181 -4.528 30 HG11 VAL 598 1HG1 VAL 598 -0.478 0.235 -6.640 31 HG12 VAL 598 2HG1 VAL 598 -2.020 -0.365 -6.007 32 HG13 VAL 598 3HG1 VAL 598 -1.340 1.141 -5.385 33 HG21 VAL 598 1HG2 VAL 598 -0.504 -1.020 -2.541 34 HG22 VAL 598 2HG2 VAL 598 -1.292 0.478 -3.065 35 HG23 VAL 598 3HG2 VAL 598 -2.057 -1.090 -3.400 36 H ARG 599 H ARG 599 -0.848 -3.315 -7.220 37 HA ARG 599 HA ARG 599 1.702 -3.126 -8.598 38 HB2 ARG 599 1HB ARG 599 0.623 -4.300 -10.392 39 HB3 ARG 599 2HB ARG 599 0.120 -5.039 -8.869 40 HG2 ARG 599 1HG ARG 599 -2.065 -3.924 -9.007 41 HG3 ARG 599 2HG ARG 599 -1.553 -3.051 -10.462 42 HD2 ARG 599 1HD ARG 599 -1.184 -5.249 -11.593 43 HD3 ARG 599 2HD ARG 599 -1.884 -6.049 -10.171 44 HE ARG 599 HE ARG 599 -3.706 -4.052 -11.106 45 HH11 ARG 599 1HH1 ARG 599 -2.453 -7.189 -12.140 46 HH12 ARG 599 2HH1 ARG 599 -3.899 -7.565 -13.041 47 HH21 ARG 599 1HH2 ARG 599 -5.486 -4.582 -12.261 48 HH22 ARG 599 2HH2 ARG 599 -5.592 -6.111 -13.111 49 H GLU 600 H GLU 600 1.861 -2.352 -10.835 50 HA GLU 600 HA GLU 600 1.243 0.446 -11.027 51 HB2 GLU 600 1HB GLU 600 2.174 -1.610 -13.076 52 HB3 GLU 600 2HB GLU 600 2.104 0.122 -13.374 53 HG2 GLU 600 1HG GLU 600 4.365 -0.334 -12.867 54 HG3 GLU 600 2HG GLU 600 3.695 0.442 -11.424 55 HA PRO 601 HA PRO 601 -2.706 0.098 -12.843 56 HB2 PRO 601 1HB PRO 601 -2.921 2.359 -14.399 57 HB3 PRO 601 2HB PRO 601 -2.987 2.329 -12.616 58 HG2 PRO 601 1HG PRO 601 -0.773 3.121 -14.402 59 HG3 PRO 601 2HG PRO 601 -1.256 3.785 -12.838 60 HD2 PRO 601 1HD PRO 601 0.845 2.023 -13.303 61 HD3 PRO 601 2HD PRO 601 0.067 2.321 -11.719 62 H SER 602 H SER 602 -4.022 0.063 -14.830 63 HA SER 602 HA SER 602 -2.780 -1.735 -16.725 64 HB2 SER 602 1HB SER 602 -5.523 -0.420 -16.768 65 HB3 SER 602 2HB SER 602 -5.027 -1.849 -17.695 66 HG SER 602 HG SER 602 -6.073 -1.779 -15.295 67 H ALA 603 H ALA 603 -2.718 -1.505 -19.013 68 HA ALA 603 HA ALA 603 -1.893 1.032 -20.005 69 HB1 ALA 603 1HB ALA 603 -2.008 -0.003 -22.212 70 HB2 ALA 603 2HB ALA 603 -1.392 -1.220 -21.069 71 HB3 ALA 603 3HB ALA 603 -3.089 -1.281 -21.605 72 HA PRO 604 HA PRO 604 -5.928 2.807 -20.237 73 HB2 PRO 604 1HB PRO 604 -5.546 4.870 -21.995 74 HB3 PRO 604 2HB PRO 604 -4.869 4.870 -20.334 75 HG2 PRO 604 1HG PRO 604 -3.575 4.091 -22.895 76 HG3 PRO 604 2HG PRO 604 -2.992 5.198 -21.625 77 HD2 PRO 604 1HD PRO 604 -2.141 2.670 -21.783 78 HD3 PRO 604 2HD PRO 604 -2.427 3.467 -20.196 79 H LYS 605 H LYS 605 -7.737 3.167 -21.566 80 HA LYS 605 HA LYS 605 -8.066 1.151 -23.622 81 HB2 LYS 605 1HB LYS 605 -9.888 3.416 -22.718 82 HB3 LYS 605 2HB LYS 605 -10.365 2.058 -23.729 83 HG2 LYS 605 1HG LYS 605 -11.134 1.240 -21.782 84 HG3 LYS 605 2HG LYS 605 -9.460 0.686 -21.595 85 HD2 LYS 605 1HD LYS 605 -8.929 2.667 -20.243 86 HD3 LYS 605 2HD LYS 605 -10.553 3.326 -20.513 87 HE2 LYS 605 1HE LYS 605 -10.174 0.604 -19.280 88 HE3 LYS 605 2HE LYS 605 -10.014 2.070 -18.300 89 HZ1 LYS 605 1HZ LYS 605 -12.249 2.724 -19.055 90 HZ2 LYS 605 2HZ LYS 605 -12.281 1.295 -18.220 91 HZ3 LYS 605 3HZ LYS 605 -12.407 1.298 -19.870 92 H LEU 606 H LEU 606 -9.045 1.680 -25.779 93 HA LEU 606 HA LEU 606 -8.648 4.401 -26.750 94 HB2 LEU 606 1HB LEU 606 -6.379 3.374 -26.959 95 HB3 LEU 606 2HB LEU 606 -7.057 2.095 -27.948 96 HG LEU 606 HG LEU 606 -5.768 4.024 -29.052 97 HD11 LEU 606 1HD1 LEU 606 -7.006 2.336 -30.337 98 HD12 LEU 606 2HD1 LEU 606 -7.091 3.937 -31.098 99 HD13 LEU 606 3HD1 LEU 606 -8.485 3.304 -30.202 100 HD21 LEU 606 1HD2 LEU 606 -8.426 5.441 -28.696 101 HD22 LEU 606 2HD2 LEU 606 -7.100 5.975 -29.727 102 HD23 LEU 606 3HD2 LEU 606 -6.871 5.895 -27.970 103 H GLU 607 H GLU 607 -10.508 4.720 -27.775 104 HA GLU 607 HA GLU 607 -11.672 2.442 -29.309 105 HB2 GLU 607 1HB GLU 607 -13.211 4.857 -28.373 106 HB3 GLU 607 2HB GLU 607 -13.825 3.280 -28.874 107 HG2 GLU 607 1HG GLU 607 -12.393 4.013 -26.304 108 HG3 GLU 607 2HG GLU 607 -14.067 3.487 -26.480 109 H GLY 608 H GLY 608 -10.038 5.362 -29.613 110 HA2 GLY 608 1HA GLY 608 -9.487 6.620 -31.462 111 HA3 GLY 608 2HA GLY 608 -10.063 5.257 -32.422 112 H GLN 609 H GLN 609 -11.968 7.386 -30.284 113 HA GLN 609 HA GLN 609 -13.975 7.591 -32.382 114 HB2 GLN 609 1HB GLN 609 -13.743 8.862 -29.644 115 HB3 GLN 609 2HB GLN 609 -15.167 8.987 -30.688 116 HG2 GLN 609 1HG GLN 609 -14.011 6.392 -29.615 117 HG3 GLN 609 2HG GLN 609 -15.414 7.236 -28.945 118 HE21 GLN 609 1HE2 GLN 609 -15.910 4.628 -31.887 119 HE22 GLN 609 2HE2 GLN 609 -14.468 4.762 -30.905 120 H MET 610 H MET 610 -13.866 8.926 -33.995 121 HA MET 610 HA MET 610 -11.979 10.986 -34.321 122 HB2 MET 610 1HB MET 610 -14.688 10.781 -35.675 123 HB3 MET 610 2HB MET 610 -13.236 11.570 -36.302 124 HG2 MET 610 1HG MET 610 -12.115 9.313 -36.307 125 HG3 MET 610 2HG MET 610 -13.677 8.597 -35.875 126 HE1 MET 610 1HE MET 610 -13.852 7.037 -37.953 127 HE2 MET 610 2HE MET 610 -13.550 7.565 -39.626 128 HE3 MET 610 3HE MET 610 -12.218 7.545 -38.448 129 H GLY 611 H GLY 611 -12.109 13.269 -34.346 130 HA2 GLY 611 1HA GLY 611 -14.099 14.322 -32.412 131 HA3 GLY 611 2HA GLY 611 -12.641 15.144 -32.987 132 H GLU 612 H GLU 612 -15.915 15.297 -33.054 133 HA GLU 612 HA GLU 612 -16.517 15.756 -35.826 134 HB2 GLU 612 1HB GLU 612 -17.847 16.839 -33.303 135 HB3 GLU 612 2HB GLU 612 -18.530 16.884 -34.925 136 HG2 GLU 612 1HG GLU 612 -19.625 15.071 -33.988 137 HG3 GLU 612 2HG GLU 612 -18.317 14.295 -34.892 138 H ASP 613 H ASP 613 -15.116 17.704 -33.292 139 HA ASP 613 HA ASP 613 -15.567 20.315 -34.306 140 HB2 ASP 613 1HB ASP 613 -13.073 19.254 -32.910 141 HB3 ASP 613 2HB ASP 613 -13.603 20.940 -32.965 142 H GLY 614 H GLY 614 -13.480 17.755 -35.411 143 HA2 GLY 614 1HA GLY 614 -11.936 17.720 -37.173 144 HA3 GLY 614 2HA GLY 614 -12.262 19.451 -37.473 145 H ASN 615 H ASN 615 -9.596 18.285 -37.305 146 HA ASN 615 HA ASN 615 -7.555 18.673 -36.281 147 HB2 ASN 615 1HB ASN 615 -8.777 21.038 -36.599 148 HB3 ASN 615 2HB ASN 615 -8.729 21.050 -34.833 149 HD21 ASN 615 1HD2 ASN 615 -5.142 21.226 -34.758 150 HD22 ASN 615 2HD2 ASN 615 -6.496 20.435 -33.955 151 H SER 616 H SER 616 -9.653 17.036 -34.817 152 HA SER 616 HA SER 616 -8.469 17.054 -32.113 153 HB2 SER 616 1HB SER 616 -11.465 17.320 -32.538 154 HB3 SER 616 2HB SER 616 -10.583 17.367 -31.000 155 HG SER 616 HG SER 616 -10.597 19.286 -33.105 156 H ILE 617 H ILE 617 -9.162 15.191 -30.778 157 HA ILE 617 HA ILE 617 -10.893 13.148 -31.971 158 HB ILE 617 HB ILE 617 -8.639 12.814 -33.077 159 HG12 ILE 617 1HG1 ILE 617 -9.277 10.373 -31.448 160 HG13 ILE 617 2HG1 ILE 617 -10.517 11.066 -32.490 161 HG21 ILE 617 1HG2 ILE 617 -7.756 11.830 -30.313 162 HG22 ILE 617 2HG2 ILE 617 -6.802 11.767 -31.806 163 HG23 ILE 617 3HG2 ILE 617 -7.203 13.334 -31.080 164 HD11 ILE 617 1HD1 ILE 617 -9.293 9.246 -33.575 165 HD12 ILE 617 2HD1 ILE 617 -9.139 10.790 -34.439 166 HD13 ILE 617 3HD1 ILE 617 -7.795 10.194 -33.442 167 H LYS 618 H LYS 618 -11.377 11.366 -30.437 168 HA LYS 618 HA LYS 618 -10.636 12.114 -27.621 169 HB2 LYS 618 1HB LYS 618 -13.018 10.452 -28.445 170 HB3 LYS 618 2HB LYS 618 -12.691 11.168 -26.879 171 HG2 LYS 618 1HG LYS 618 -14.186 12.715 -27.534 172 HG3 LYS 618 2HG LYS 618 -12.823 13.419 -28.417 173 HD2 LYS 618 1HD LYS 618 -13.626 12.731 -30.470 174 HD3 LYS 618 2HD LYS 618 -14.330 11.253 -29.814 175 HE2 LYS 618 1HE LYS 618 -16.085 12.771 -28.691 176 HE3 LYS 618 2HE LYS 618 -15.487 14.045 -29.782 177 HZ1 LYS 618 1HZ LYS 618 -17.204 13.016 -30.959 178 HZ2 LYS 618 2HZ LYS 618 -16.773 11.487 -30.502 179 HZ3 LYS 618 3HZ LYS 618 -15.860 12.315 -31.598 180 H VAL 619 H VAL 619 -9.837 10.599 -26.259 181 HA VAL 619 HA VAL 619 -9.657 7.778 -27.235 182 HB VAL 619 HB VAL 619 -7.413 7.968 -27.461 183 HG11 VAL 619 1HG1 VAL 619 -7.543 10.360 -27.856 184 HG12 VAL 619 2HG1 VAL 619 -7.548 10.695 -26.106 185 HG13 VAL 619 3HG1 VAL 619 -6.105 10.010 -26.882 186 HG21 VAL 619 1HG2 VAL 619 -7.337 8.587 -24.480 187 HG22 VAL 619 2HG2 VAL 619 -7.382 6.965 -25.214 188 HG23 VAL 619 3HG2 VAL 619 -5.978 8.015 -25.472 189 H ASN 620 H ASN 620 -9.965 6.263 -25.517 190 HA ASN 620 HA ASN 620 -11.507 7.459 -23.314 191 HB2 ASN 620 1HB ASN 620 -11.194 4.692 -24.451 192 HB3 ASN 620 2HB ASN 620 -11.792 4.901 -22.799 193 HD21 ASN 620 1HD2 ASN 620 -14.098 6.605 -25.736 194 HD22 ASN 620 2HD2 ASN 620 -12.355 6.682 -25.873 195 H LEU 621 H LEU 621 -11.212 6.951 -21.111 196 HA LEU 621 HA LEU 621 -8.388 6.380 -20.462 197 HB2 LEU 621 1HB LEU 621 -9.449 8.833 -20.484 198 HB3 LEU 621 2HB LEU 621 -9.840 8.371 -18.839 199 HG LEU 621 HG LEU 621 -7.519 8.175 -18.266 200 HD11 LEU 621 1HD1 LEU 621 -6.473 7.179 -20.211 201 HD12 LEU 621 2HD1 LEU 621 -5.710 8.754 -19.946 202 HD13 LEU 621 3HD1 LEU 621 -6.925 8.561 -21.233 203 HD21 LEU 621 1HD2 LEU 621 -8.525 10.395 -18.322 204 HD22 LEU 621 2HD2 LEU 621 -8.058 10.605 -20.017 205 HD23 LEU 621 3HD2 LEU 621 -6.814 10.500 -18.757 206 H ILE 622 H ILE 622 -7.870 5.635 -18.413 207 HA ILE 622 HA ILE 622 -9.522 3.623 -17.333 208 HB ILE 622 HB ILE 622 -7.195 5.244 -16.256 209 HG12 ILE 622 1HG1 ILE 622 -6.692 2.454 -16.408 210 HG13 ILE 622 2HG1 ILE 622 -7.491 2.909 -17.918 211 HG21 ILE 622 1HG2 ILE 622 -8.479 4.547 -14.302 212 HG22 ILE 622 2HG2 ILE 622 -8.468 2.869 -14.897 213 HG23 ILE 622 3HG2 ILE 622 -6.962 3.649 -14.436 214 HD11 ILE 622 1HD1 ILE 622 -5.113 3.045 -18.146 215 HD12 ILE 622 2HD1 ILE 622 -5.800 4.686 -18.206 216 HD13 ILE 622 3HD1 ILE 622 -5.002 4.098 -16.726 217 H LYS 623 H LYS 623 -11.349 3.741 -16.191 218 HA LYS 623 HA LYS 623 -11.920 6.250 -14.719 219 HB2 LYS 623 1HB LYS 623 -14.294 6.001 -15.346 220 HB3 LYS 623 2HB LYS 623 -13.214 6.282 -16.704 221 HG2 LYS 623 1HG LYS 623 -14.619 4.688 -17.572 222 HG3 LYS 623 2HG LYS 623 -13.282 3.677 -17.023 223 HD2 LYS 623 1HD LYS 623 -14.502 3.029 -15.057 224 HD3 LYS 623 2HD LYS 623 -15.762 4.245 -15.383 225 HE2 LYS 623 1HE LYS 623 -16.276 3.081 -17.513 226 HE3 LYS 623 2HE LYS 623 -15.106 1.814 -17.068 227 HZ1 LYS 623 1HZ LYS 623 -17.363 1.216 -16.430 228 HZ2 LYS 623 2HZ LYS 623 -17.500 2.569 -15.496 229 HZ3 LYS 623 3HZ LYS 623 -16.422 1.390 -15.084 230 H GLN 624 H GLN 624 -10.912 3.446 -14.013 231 HA GLN 624 HA GLN 624 -12.497 3.170 -11.542 232 HB2 GLN 624 1HB GLN 624 -12.886 0.802 -11.854 233 HB3 GLN 624 2HB GLN 624 -13.608 1.643 -13.223 234 HG2 GLN 624 1HG GLN 624 -10.913 0.210 -13.287 235 HG3 GLN 624 2HG GLN 624 -12.435 -0.492 -13.831 236 HE21 GLN 624 1HE2 GLN 624 -10.239 1.773 -16.292 237 HE22 GLN 624 2HE2 GLN 624 -9.724 1.322 -14.686 238 H ASP 625 H ASP 625 -11.072 1.689 -10.034 239 HA ASP 625 HA ASP 625 -8.300 2.447 -10.540 240 HB2 ASP 625 1HB ASP 625 -7.832 1.345 -8.403 241 HB3 ASP 625 2HB ASP 625 -9.174 2.491 -8.258 242 H ASP 626 H ASP 626 -6.566 1.043 -10.874 243 HA ASP 626 HA ASP 626 -7.337 -1.391 -12.413 244 HB2 ASP 626 1HB ASP 626 -4.854 0.341 -12.292 245 HB3 ASP 626 2HB ASP 626 -4.946 -1.174 -13.207 246 H GLY 627 H GLY 627 -5.851 -0.477 -9.458 247 HA2 GLY 627 1HA GLY 627 -4.785 -3.234 -9.177 248 HA3 GLY 627 2HA GLY 627 -3.685 -1.876 -8.946 249 H GLY 628 H GLY 628 -3.327 -1.382 -6.952 250 HA2 GLY 628 1HA GLY 628 -5.374 -2.137 -4.910 251 HA3 GLY 628 2HA GLY 628 -3.641 -1.975 -4.616 252 H SER 629 H SER 629 -4.628 0.526 -6.618 253 HA SER 629 HA SER 629 -5.658 2.328 -4.565 254 HB2 SER 629 1HB SER 629 -2.893 2.769 -5.787 255 HB3 SER 629 2HB SER 629 -3.784 3.951 -4.809 256 HG SER 629 HG SER 629 -3.695 1.635 -3.480 257 HA PRO 630 HA PRO 630 -7.080 3.955 -8.430 258 HB2 PRO 630 1HB PRO 630 -7.745 6.526 -7.850 259 HB3 PRO 630 2HB PRO 630 -8.661 5.145 -7.164 260 HG2 PRO 630 1HG PRO 630 -6.424 6.729 -5.924 261 HG3 PRO 630 2HG PRO 630 -8.045 6.355 -5.253 262 HD2 PRO 630 1HD PRO 630 -5.865 4.884 -4.613 263 HD3 PRO 630 2HD PRO 630 -7.480 4.120 -4.828 264 H ILE 631 H ILE 631 -6.648 5.715 -10.031 265 HA ILE 631 HA ILE 631 -3.813 6.102 -10.382 266 HB ILE 631 HB ILE 631 -6.342 6.784 -11.908 267 HG12 ILE 631 1HG1 ILE 631 -5.104 5.690 -13.774 268 HG13 ILE 631 2HG1 ILE 631 -3.678 5.542 -12.737 269 HG21 ILE 631 1HG2 ILE 631 -3.633 8.042 -12.525 270 HG22 ILE 631 2HG2 ILE 631 -5.014 8.037 -13.610 271 HG23 ILE 631 3HG2 ILE 631 -5.125 8.904 -12.086 272 HD11 ILE 631 1HD1 ILE 631 -6.333 4.211 -12.154 273 HD12 ILE 631 2HD1 ILE 631 -5.001 3.463 -13.058 274 HD13 ILE 631 3HD1 ILE 631 -4.764 3.914 -11.358 275 H ARG 632 H ARG 632 -2.666 8.104 -10.360 276 HA ARG 632 HA ARG 632 -3.802 10.201 -8.561 277 HB2 ARG 632 1HB ARG 632 -1.074 9.377 -9.544 278 HB3 ARG 632 2HB ARG 632 -1.356 11.084 -9.244 279 HG2 ARG 632 1HG ARG 632 -1.877 10.645 -6.894 280 HG3 ARG 632 2HG ARG 632 -1.667 8.881 -7.134 281 HD2 ARG 632 1HD ARG 632 0.387 9.932 -6.212 282 HD3 ARG 632 2HD ARG 632 0.650 9.231 -7.821 283 HE ARG 632 HE ARG 632 0.005 12.058 -7.936 284 HH11 ARG 632 1HH1 ARG 632 2.670 9.773 -7.526 285 HH12 ARG 632 2HH1 ARG 632 3.850 10.919 -8.095 286 HH21 ARG 632 1HH2 ARG 632 1.562 13.450 -8.641 287 HH22 ARG 632 2HH2 ARG 632 3.236 12.962 -8.706 288 H HIS 633 H HIS 633 -2.056 9.867 -11.708 289 HA HIS 633 HA HIS 633 -3.676 12.102 -12.838 290 HB2 HIS 633 1HB HIS 633 -0.655 11.975 -13.126 291 HB3 HIS 633 2HB HIS 633 -1.735 13.298 -13.587 292 HD1 HIS 633 HD1 HIS 633 -3.087 14.278 -11.217 293 HD2 HIS 633 HD2 HIS 633 0.667 12.520 -10.886 294 HE1 HIS 633 HE1 HIS 633 -2.125 15.043 -9.012 295 H TYR 634 H TYR 634 -3.308 12.351 -15.216 296 HA TYR 634 HA TYR 634 -2.330 9.834 -16.532 297 HB2 TYR 634 1HB TYR 634 -4.508 11.745 -17.455 298 HB3 TYR 634 2HB TYR 634 -3.879 10.372 -18.382 299 HD1 TYR 634 HD1 TYR 634 -6.359 11.430 -16.062 300 HD2 TYR 634 HD2 TYR 634 -3.996 8.037 -17.225 301 HE1 TYR 634 HE1 TYR 634 -7.941 9.927 -14.890 302 HE2 TYR 634 HE2 TYR 634 -5.563 6.538 -16.008 303 HH TYR 634 HH TYR 634 -8.511 7.709 -14.459 304 H LEU 635 H LEU 635 -1.051 10.105 -18.325 305 HA LEU 635 HA LEU 635 -0.189 12.916 -18.892 306 HB2 LEU 635 1HB LEU 635 1.604 10.474 -18.695 307 HB3 LEU 635 2HB LEU 635 2.103 12.100 -19.088 308 HG LEU 635 HG LEU 635 1.237 12.652 -16.649 309 HD11 LEU 635 1HD1 LEU 635 1.790 9.652 -16.467 310 HD12 LEU 635 2HD1 LEU 635 0.309 10.499 -15.990 311 HD13 LEU 635 3HD1 LEU 635 1.796 10.748 -15.063 312 HD21 LEU 635 1HD2 LEU 635 3.519 12.201 -15.840 313 HD22 LEU 635 2HD2 LEU 635 3.539 12.869 -17.479 314 HD23 LEU 635 3HD2 LEU 635 3.806 11.129 -17.238 315 H VAL 636 H VAL 636 -0.480 13.343 -21.020 316 HA VAL 636 HA VAL 636 -0.466 11.017 -22.927 317 HB VAL 636 HB VAL 636 -1.880 13.654 -23.441 318 HG11 VAL 636 1HG1 VAL 636 -2.122 10.876 -24.630 319 HG12 VAL 636 2HG1 VAL 636 -3.237 12.206 -24.989 320 HG13 VAL 636 3HG1 VAL 636 -1.524 12.346 -25.424 321 HG21 VAL 636 1HG2 VAL 636 -3.042 11.191 -22.079 322 HG22 VAL 636 2HG2 VAL 636 -2.948 12.840 -21.418 323 HG23 VAL 636 3HG2 VAL 636 -4.024 12.493 -22.783 324 H ARG 637 H ARG 637 0.787 11.205 -24.780 325 HA ARG 637 HA ARG 637 2.218 13.800 -25.230 326 HB2 ARG 637 1HB ARG 637 3.730 12.384 -23.908 327 HB3 ARG 637 2HB ARG 637 3.441 11.012 -24.996 328 HG2 ARG 637 1HG ARG 637 4.629 11.987 -26.752 329 HG3 ARG 637 2HG ARG 637 4.620 13.590 -26.015 330 HD2 ARG 637 1HD ARG 637 6.064 11.187 -24.864 331 HD3 ARG 637 2HD ARG 637 6.824 12.412 -25.902 332 HE ARG 637 HE ARG 637 5.567 13.809 -23.800 333 HH11 ARG 637 1HH1 ARG 637 8.247 11.524 -24.136 334 HH12 ARG 637 2HH1 ARG 637 9.058 12.136 -22.721 335 HH21 ARG 637 1HH2 ARG 637 6.628 14.516 -22.033 336 HH22 ARG 637 2HH2 ARG 637 8.163 13.823 -21.551 337 H TYR 638 H TYR 638 2.110 14.290 -27.418 338 HA TYR 638 HA TYR 638 1.731 12.032 -29.286 339 HB2 TYR 638 1HB TYR 638 -0.232 12.938 -30.298 340 HB3 TYR 638 2HB TYR 638 -0.550 12.775 -28.574 341 HD1 TYR 638 HD1 TYR 638 -0.458 15.008 -31.422 342 HD2 TYR 638 HD2 TYR 638 -0.450 14.909 -27.115 343 HE1 TYR 638 HE1 TYR 638 -1.188 17.388 -31.360 344 HE2 TYR 638 HE2 TYR 638 -1.156 17.294 -27.071 345 HH TYR 638 HH TYR 638 -1.792 19.142 -30.086 346 H ARG 639 H ARG 639 1.936 12.695 -31.538 347 HA ARG 639 HA ARG 639 3.374 15.267 -31.985 348 HB2 ARG 639 1HB ARG 639 5.170 13.780 -31.380 349 HB3 ARG 639 2HB ARG 639 4.528 12.475 -32.343 350 HG2 ARG 639 1HG ARG 639 5.138 14.872 -33.902 351 HG3 ARG 639 2HG ARG 639 6.542 14.174 -33.077 352 HD2 ARG 639 1HD ARG 639 6.281 12.089 -34.118 353 HD3 ARG 639 2HD ARG 639 4.603 12.428 -34.583 354 HE ARG 639 HE ARG 639 6.169 14.358 -35.871 355 HH11 ARG 639 1HH1 ARG 639 5.813 10.825 -35.944 356 HH12 ARG 639 2HH1 ARG 639 6.302 10.734 -37.623 357 HH21 ARG 639 1HH2 ARG 639 6.761 14.158 -37.994 358 HH22 ARG 639 2HH2 ARG 639 6.843 12.591 -38.759 359 H ALA 640 H ALA 640 3.111 15.933 -34.109 360 HA ALA 640 HA ALA 640 1.337 14.214 -35.781 361 HB1 ALA 640 1HB ALA 640 0.331 16.198 -36.600 362 HB2 ALA 640 2HB ALA 640 0.394 16.396 -34.842 363 HB3 ALA 640 3HB ALA 640 1.575 17.237 -35.879 364 H LEU 641 H LEU 641 1.681 14.577 -38.202 365 HA LEU 641 HA LEU 641 4.390 14.083 -38.821 366 HB2 LEU 641 1HB LEU 641 1.945 14.112 -40.188 367 HB3 LEU 641 2HB LEU 641 2.917 15.313 -41.022 368 HG LEU 641 HG LEU 641 4.697 13.612 -41.375 369 HD11 LEU 641 1HD1 LEU 641 4.309 12.069 -39.527 370 HD12 LEU 641 2HD1 LEU 641 4.082 11.188 -41.049 371 HD13 LEU 641 3HD1 LEU 641 2.670 11.716 -40.105 372 HD21 LEU 641 1HD2 LEU 641 3.485 12.361 -43.106 373 HD22 LEU 641 2HD2 LEU 641 2.950 14.054 -43.072 374 HD23 LEU 641 3HD2 LEU 641 1.933 12.784 -42.350 375 H SER 642 H SER 642 2.546 17.101 -38.868 376 HA SER 642 HA SER 642 4.822 18.621 -39.944 377 HB2 SER 642 1HB SER 642 2.258 19.741 -38.796 378 HB3 SER 642 2HB SER 642 3.301 20.426 -40.062 379 HG SER 642 HG SER 642 1.464 18.283 -40.174 380 H SER 643 H SER 643 4.513 17.349 -36.961 381 HA SER 643 HA SER 643 5.603 19.779 -35.627 382 HB2 SER 643 1HB SER 643 3.070 19.530 -35.355 383 HB3 SER 643 2HB SER 643 3.410 18.082 -34.393 384 HG SER 643 HG SER 643 4.669 20.542 -33.784 385 H GLU 644 H GLU 644 6.239 19.260 -33.318 386 HA GLU 644 HA GLU 644 7.826 16.733 -33.301 387 HB2 GLU 644 1HB GLU 644 8.469 18.322 -31.047 388 HB3 GLU 644 2HB GLU 644 9.450 18.041 -32.480 389 HG2 GLU 644 1HG GLU 644 9.334 20.407 -32.088 390 HG3 GLU 644 2HG GLU 644 8.402 20.055 -33.547 391 H TRP 645 H TRP 645 8.102 15.931 -30.877 392 HA TRP 645 HA TRP 645 5.534 15.104 -29.927 393 HB2 TRP 645 1HB TRP 645 8.305 15.051 -28.680 394 HB3 TRP 645 2HB TRP 645 6.876 14.344 -27.914 395 HD1 TRP 645 HD1 TRP 645 9.515 13.574 -30.473 396 HE1 TRP 645 HE1 TRP 645 9.137 11.296 -31.542 397 HE3 TRP 645 HE3 TRP 645 4.806 12.740 -28.684 398 HZ2 TRP 645 HZ2 TRP 645 7.057 9.344 -31.603 399 HZ3 TRP 645 HZ3 TRP 645 3.654 10.604 -29.281 400 HH2 TRP 645 HH2 TRP 645 4.794 8.933 -30.735 401 H LYS 646 H LYS 646 4.095 16.175 -28.773 402 HA LYS 646 HA LYS 646 4.763 18.704 -27.492 403 HB2 LYS 646 1HB LYS 646 2.325 16.897 -27.175 404 HB3 LYS 646 2HB LYS 646 2.449 18.557 -26.584 405 HG2 LYS 646 1HG LYS 646 2.505 17.688 -29.507 406 HG3 LYS 646 2HG LYS 646 1.153 18.438 -28.662 407 HD2 LYS 646 1HD LYS 646 1.909 20.409 -29.389 408 HD3 LYS 646 2HD LYS 646 3.240 20.241 -28.231 409 HE2 LYS 646 1HE LYS 646 4.587 19.078 -29.971 410 HE3 LYS 646 2HE LYS 646 3.250 19.258 -31.120 411 HZ1 LYS 646 1HZ LYS 646 3.503 21.664 -30.909 412 HZ2 LYS 646 2HZ LYS 646 4.898 20.957 -31.442 413 HZ3 LYS 646 3HZ LYS 646 4.787 21.458 -29.884 414 HA PRO 647 HA PRO 647 6.545 16.949 -24.020 415 HB2 PRO 647 1HB PRO 647 5.944 18.623 -21.909 416 HB3 PRO 647 2HB PRO 647 7.089 19.037 -23.225 417 HG2 PRO 647 1HG PRO 647 4.183 19.795 -22.957 418 HG3 PRO 647 2HG PRO 647 5.591 20.830 -23.352 419 HD2 PRO 647 1HD PRO 647 3.954 19.855 -25.274 420 HD3 PRO 647 2HD PRO 647 5.733 20.003 -25.537 421 H GLU 648 H GLU 648 3.376 18.102 -22.659 422 HA GLU 648 HA GLU 648 2.568 15.357 -22.076 423 HB2 GLU 648 1HB GLU 648 4.181 15.921 -20.211 424 HB3 GLU 648 2HB GLU 648 3.166 17.309 -19.810 425 HG2 GLU 648 1HG GLU 648 1.263 15.695 -19.408 426 HG3 GLU 648 2HG GLU 648 2.424 14.374 -19.606 427 H ILE 649 H ILE 649 0.326 15.305 -21.901 428 HA ILE 649 HA ILE 649 -1.032 17.931 -21.470 429 HB ILE 649 HB ILE 649 -2.253 15.408 -22.644 430 HG12 ILE 649 1HG1 ILE 649 -0.583 16.243 -24.223 431 HG13 ILE 649 2HG1 ILE 649 -2.213 16.486 -24.836 432 HG21 ILE 649 1HG2 ILE 649 -4.127 16.931 -23.278 433 HG22 ILE 649 2HG2 ILE 649 -3.882 16.846 -21.523 434 HG23 ILE 649 3HG2 ILE 649 -3.307 18.262 -22.428 435 HD11 ILE 649 1HD1 ILE 649 -0.709 18.427 -25.302 436 HD12 ILE 649 2HD1 ILE 649 -2.110 18.894 -24.320 437 HD13 ILE 649 3HD1 ILE 649 -0.513 18.692 -23.562 438 H ARG 650 H ARG 650 -1.522 18.086 -19.440 439 HA ARG 650 HA ARG 650 -1.405 15.990 -17.486 440 HB2 ARG 650 1HB ARG 650 -2.158 17.695 -15.945 441 HB3 ARG 650 2HB ARG 650 -1.154 18.555 -17.122 442 HG2 ARG 650 1HG ARG 650 -3.357 19.173 -18.370 443 HG3 ARG 650 2HG ARG 650 -4.294 18.508 -17.022 444 HD2 ARG 650 1HD ARG 650 -3.152 20.136 -15.482 445 HD3 ARG 650 2HD ARG 650 -2.226 20.786 -16.851 446 HE ARG 650 HE ARG 650 -5.010 20.863 -17.467 447 HH11 ARG 650 1HH1 ARG 650 -2.658 22.534 -15.426 448 HH12 ARG 650 2HH1 ARG 650 -3.573 24.018 -15.429 449 HH21 ARG 650 1HH2 ARG 650 -6.117 22.791 -17.425 450 HH22 ARG 650 2HH2 ARG 650 -5.496 24.156 -16.537 451 H LEU 651 H LEU 651 -3.131 14.691 -16.628 452 HA LEU 651 HA LEU 651 -5.671 16.064 -16.671 453 HB2 LEU 651 1HB LEU 651 -5.327 13.718 -18.396 454 HB3 LEU 651 2HB LEU 651 -6.715 13.624 -17.322 455 HG LEU 651 HG LEU 651 -7.831 14.651 -18.964 456 HD11 LEU 651 1HD1 LEU 651 -6.322 17.259 -18.051 457 HD12 LEU 651 2HD1 LEU 651 -7.960 16.669 -17.586 458 HD13 LEU 651 3HD1 LEU 651 -7.676 17.216 -19.236 459 HD21 LEU 651 1HD2 LEU 651 -5.719 14.267 -20.440 460 HD22 LEU 651 2HD2 LEU 651 -5.459 16.014 -20.254 461 HD23 LEU 651 3HD2 LEU 651 -6.956 15.421 -20.980 462 HA PRO 652 HA PRO 652 -5.719 14.329 -12.707 463 HB2 PRO 652 1HB PRO 652 -8.255 14.723 -11.860 464 HB3 PRO 652 2HB PRO 652 -7.209 16.127 -12.269 465 HG2 PRO 652 1HG PRO 652 -9.257 14.727 -13.983 466 HG3 PRO 652 2HG PRO 652 -9.130 16.468 -13.606 467 HD2 PRO 652 1HD PRO 652 -8.103 15.400 -15.879 468 HD3 PRO 652 2HD PRO 652 -7.285 16.752 -15.026 469 H SER 653 H SER 653 -6.705 12.590 -11.328 470 HA SER 653 HA SER 653 -7.020 10.167 -12.718 471 HB2 SER 653 1HB SER 653 -7.834 9.350 -10.482 472 HB3 SER 653 2HB SER 653 -6.309 10.261 -10.441 473 HG SER 653 HG SER 653 -7.782 10.928 -8.813 474 H GLY 654 H GLY 654 -9.472 12.548 -11.934 475 HA2 GLY 654 1HA GLY 654 -11.645 10.617 -12.158 476 HA3 GLY 654 2HA GLY 654 -11.793 12.345 -11.859 477 H SER 655 H SER 655 -9.856 11.892 -14.658 478 HA SER 655 HA SER 655 -12.169 12.706 -16.295 479 HB2 SER 655 1HB SER 655 -10.416 12.787 -18.126 480 HB3 SER 655 2HB SER 655 -10.156 13.885 -16.757 481 HG SER 655 HG SER 655 -9.003 11.304 -16.855 482 H ASP 656 H ASP 656 -13.475 11.274 -17.191 483 HA ASP 656 HA ASP 656 -12.935 8.433 -17.297 484 HB2 ASP 656 1HB ASP 656 -15.184 9.313 -16.941 485 HB3 ASP 656 2HB ASP 656 -15.104 10.221 -18.459 486 H HIS 657 H HIS 657 -12.642 11.076 -19.601 487 HA HIS 657 HA HIS 657 -11.215 9.318 -21.457 488 HB2 HIS 657 1HB HIS 657 -12.611 10.113 -23.395 489 HB3 HIS 657 2HB HIS 657 -13.426 8.967 -22.325 490 HD1 HIS 657 HD1 HIS 657 -15.507 9.784 -21.044 491 HD2 HIS 657 HD2 HIS 657 -13.633 12.756 -23.268 492 HE1 HIS 657 HE1 HIS 657 -17.071 11.761 -21.073 493 H VAL 658 H VAL 658 -10.310 10.735 -23.255 494 HA VAL 658 HA VAL 658 -9.979 13.556 -22.330 495 HB VAL 658 HB VAL 658 -7.959 12.650 -21.486 496 HG11 VAL 658 1HG1 VAL 658 -6.537 10.995 -22.706 497 HG12 VAL 658 2HG1 VAL 658 -8.138 10.360 -22.296 498 HG13 VAL 658 3HG1 VAL 658 -7.792 10.880 -23.956 499 HG21 VAL 658 1HG2 VAL 658 -7.555 14.547 -23.107 500 HG22 VAL 658 2HG2 VAL 658 -6.163 13.472 -22.888 501 HG23 VAL 658 3HG2 VAL 658 -7.159 13.338 -24.352 502 H MET 659 H MET 659 -10.152 14.994 -23.933 503 HA MET 659 HA MET 659 -10.117 13.936 -26.723 504 HB2 MET 659 1HB MET 659 -12.270 14.944 -26.017 505 HB3 MET 659 2HB MET 659 -11.429 16.462 -25.655 506 HG2 MET 659 1HG MET 659 -10.999 16.904 -27.918 507 HG3 MET 659 2HG MET 659 -11.179 15.204 -28.371 508 HE1 MET 659 1HE MET 659 -14.147 16.085 -30.416 509 HE2 MET 659 2HE MET 659 -12.679 17.076 -30.362 510 HE3 MET 659 3HE MET 659 -12.547 15.300 -30.268 511 H LEU 660 H LEU 660 -8.509 14.560 -27.972 512 HA LEU 660 HA LEU 660 -6.679 16.694 -26.949 513 HB2 LEU 660 1HB LEU 660 -6.311 14.548 -29.070 514 HB3 LEU 660 2HB LEU 660 -5.107 15.758 -28.639 515 HG LEU 660 HG LEU 660 -6.140 13.589 -26.779 516 HD11 LEU 660 1HD1 LEU 660 -3.940 12.578 -27.161 517 HD12 LEU 660 2HD1 LEU 660 -3.526 13.873 -28.307 518 HD13 LEU 660 3HD1 LEU 660 -4.840 12.731 -28.682 519 HD21 LEU 660 1HD2 LEU 660 -3.878 15.618 -26.466 520 HD22 LEU 660 2HD2 LEU 660 -4.194 14.259 -25.364 521 HD23 LEU 660 3HD2 LEU 660 -5.386 15.560 -25.518 522 H LYS 661 H LYS 661 -6.075 18.347 -28.311 523 HA LYS 661 HA LYS 661 -7.526 18.662 -30.891 524 HB2 LYS 661 1HB LYS 661 -7.339 20.740 -28.654 525 HB3 LYS 661 2HB LYS 661 -7.880 21.066 -30.307 526 HG2 LYS 661 1HG LYS 661 -9.553 19.063 -29.746 527 HG3 LYS 661 2HG LYS 661 -9.304 19.643 -28.096 528 HD2 LYS 661 1HD LYS 661 -10.163 21.810 -28.647 529 HD3 LYS 661 2HD LYS 661 -10.031 21.493 -30.394 530 HE2 LYS 661 1HE LYS 661 -11.706 19.692 -30.189 531 HE3 LYS 661 2HE LYS 661 -11.907 20.074 -28.470 532 HZ1 LYS 661 1HZ LYS 661 -12.438 21.968 -30.690 533 HZ2 LYS 661 2HZ LYS 661 -12.739 22.242 -29.091 534 HZ3 LYS 661 3HZ LYS 661 -13.607 21.101 -29.920 535 H SER 662 H SER 662 -6.402 20.917 -31.734 536 HA SER 662 HA SER 662 -4.470 21.656 -32.757 537 HB2 SER 662 1HB SER 662 -2.557 22.185 -31.195 538 HB3 SER 662 2HB SER 662 -4.126 22.896 -30.790 539 HG SER 662 HG SER 662 -3.471 20.426 -29.646 540 H LEU 663 H LEU 663 -4.725 19.395 -33.724 541 HA LEU 663 HA LEU 663 -2.046 18.139 -33.777 542 HB2 LEU 663 1HB LEU 663 -3.201 15.894 -33.871 543 HB3 LEU 663 2HB LEU 663 -3.224 16.683 -32.304 544 HG LEU 663 HG LEU 663 -5.624 17.443 -32.887 545 HD11 LEU 663 1HD1 LEU 663 -6.805 15.681 -34.324 546 HD12 LEU 663 2HD1 LEU 663 -5.202 15.289 -34.976 547 HD13 LEU 663 3HD1 LEU 663 -5.872 16.909 -35.195 548 HD21 LEU 663 1HD2 LEU 663 -4.957 14.530 -32.396 549 HD22 LEU 663 2HD2 LEU 663 -6.491 15.338 -32.001 550 HD23 LEU 663 3HD2 LEU 663 -4.998 15.822 -31.173 551 H ASP 664 H ASP 664 -1.863 16.898 -35.902 552 HA ASP 664 HA ASP 664 -2.964 18.519 -38.031 553 HB2 ASP 664 1HB ASP 664 -1.447 15.878 -38.006 554 HB3 ASP 664 2HB ASP 664 -2.040 16.630 -39.493 555 H TRP 665 H TRP 665 -4.773 18.179 -39.259 556 HA TRP 665 HA TRP 665 -6.264 15.630 -38.757 557 HB2 TRP 665 1HB TRP 665 -8.209 16.894 -39.745 558 HB3 TRP 665 2HB TRP 665 -7.637 17.478 -38.181 559 HD1 TRP 665 HD1 TRP 665 -6.450 19.880 -38.117 560 HE1 TRP 665 HE1 TRP 665 -6.456 21.885 -39.660 561 HE3 TRP 665 HE3 TRP 665 -8.210 17.525 -42.296 562 HZ2 TRP 665 HZ2 TRP 665 -7.146 22.426 -42.385 563 HZ3 TRP 665 HZ3 TRP 665 -8.528 18.861 -44.385 564 HH2 TRP 665 HH2 TRP 665 -8.000 21.299 -44.414 565 H ASN 666 H ASN 666 -4.709 17.656 -41.145 566 HA ASN 666 HA ASN 666 -5.748 16.042 -43.399 567 HB2 ASN 666 1HB ASN 666 -5.481 18.626 -43.352 568 HB3 ASN 666 2HB ASN 666 -3.749 18.323 -43.517 569 HD21 ASN 666 1HD2 ASN 666 -4.028 18.211 -46.946 570 HD22 ASN 666 2HD2 ASN 666 -3.158 18.704 -45.515 571 H ALA 667 H ALA 667 -3.532 15.396 -41.184 572 HA ALA 667 HA ALA 667 -1.771 13.959 -43.040 573 HB1 ALA 667 1HB ALA 667 0.295 14.885 -42.099 574 HB2 ALA 667 2HB ALA 667 -0.671 16.226 -42.747 575 HB3 ALA 667 3HB ALA 667 -0.620 15.928 -40.996 576 H GLU 668 H GLU 668 -0.263 12.600 -41.632 577 HA GLU 668 HA GLU 668 -1.988 11.234 -39.735 578 HB2 GLU 668 1HB GLU 668 -0.624 10.171 -41.544 579 HB3 GLU 668 2HB GLU 668 0.837 10.618 -40.665 580 HG2 GLU 668 1HG GLU 668 0.479 9.060 -39.010 581 HG3 GLU 668 2HG GLU 668 -1.275 9.045 -39.264 582 H TYR 669 H TYR 669 -1.690 10.934 -37.548 583 HA TYR 669 HA TYR 669 0.760 12.066 -36.329 584 HB2 TYR 669 1HB TYR 669 -0.493 13.280 -34.639 585 HB3 TYR 669 2HB TYR 669 -0.902 13.883 -36.245 586 HD1 TYR 669 HD1 TYR 669 -3.116 13.402 -37.240 587 HD2 TYR 669 HD2 TYR 669 -2.145 12.193 -33.231 588 HE1 TYR 669 HE1 TYR 669 -5.521 13.124 -36.745 589 HE2 TYR 669 HE2 TYR 669 -4.573 11.908 -32.738 590 HH TYR 669 HH TYR 669 -6.708 12.127 -33.543 591 H GLU 670 H GLU 670 1.101 11.344 -34.156 592 HA GLU 670 HA GLU 670 -0.259 8.732 -33.600 593 HB2 GLU 670 1HB GLU 670 1.936 7.922 -32.808 594 HB3 GLU 670 2HB GLU 670 1.963 8.357 -34.522 595 HG2 GLU 670 1HG GLU 670 2.973 10.590 -33.845 596 HG3 GLU 670 2HG GLU 670 3.136 9.940 -32.211 597 H VAL 671 H VAL 671 -0.712 8.270 -31.472 598 HA VAL 671 HA VAL 671 -0.165 10.458 -29.485 599 HB VAL 671 HB VAL 671 -2.721 8.817 -29.826 600 HG11 VAL 671 1HG1 VAL 671 -2.036 11.027 -27.844 601 HG12 VAL 671 2HG1 VAL 671 -3.658 10.333 -28.073 602 HG13 VAL 671 3HG1 VAL 671 -2.343 9.314 -27.467 603 HG21 VAL 671 1HG2 VAL 671 -3.809 10.984 -30.396 604 HG22 VAL 671 2HG2 VAL 671 -2.212 11.763 -30.399 605 HG23 VAL 671 3HG2 VAL 671 -2.592 10.494 -31.586 606 H TYR 672 H TYR 672 0.648 9.756 -27.576 607 HA TYR 672 HA TYR 672 0.373 6.849 -26.867 608 HB2 TYR 672 1HB TYR 672 2.682 8.790 -26.490 609 HB3 TYR 672 2HB TYR 672 2.502 7.330 -25.509 610 HD1 TYR 672 HD1 TYR 672 3.289 5.246 -26.278 611 HD2 TYR 672 HD2 TYR 672 2.785 8.485 -29.051 612 HE1 TYR 672 HE1 TYR 672 4.341 3.865 -28.060 613 HE2 TYR 672 HE2 TYR 672 3.862 7.098 -30.852 614 HH TYR 672 HH TYR 672 4.849 5.139 -31.382 615 H VAL 673 H VAL 673 -0.287 6.471 -24.745 616 HA VAL 673 HA VAL 673 -0.539 8.818 -22.947 617 HB VAL 673 HB VAL 673 -2.670 8.909 -24.022 618 HG11 VAL 673 1HG1 VAL 673 -2.657 5.898 -23.897 619 HG12 VAL 673 2HG1 VAL 673 -4.170 6.806 -24.113 620 HG13 VAL 673 3HG1 VAL 673 -2.857 6.966 -25.296 621 HG21 VAL 673 1HG2 VAL 673 -4.267 8.441 -22.256 622 HG22 VAL 673 2HG2 VAL 673 -3.150 7.298 -21.484 623 HG23 VAL 673 3HG2 VAL 673 -2.754 9.025 -21.531 624 H VAL 674 H VAL 674 -0.334 8.310 -20.829 625 HA VAL 674 HA VAL 674 -0.347 5.432 -20.050 626 HB VAL 674 HB VAL 674 1.670 5.832 -18.595 627 HG11 VAL 674 1HG1 VAL 674 2.085 6.204 -21.582 628 HG12 VAL 674 2HG1 VAL 674 3.379 5.803 -20.418 629 HG13 VAL 674 3HG1 VAL 674 2.028 4.684 -20.654 630 HG21 VAL 674 1HG2 VAL 674 3.146 7.758 -19.038 631 HG22 VAL 674 2HG2 VAL 674 1.953 8.427 -20.173 632 HG23 VAL 674 3HG2 VAL 674 1.561 8.285 -18.444 633 H ALA 675 H ALA 675 -0.594 5.177 -17.736 634 HA ALA 675 HA ALA 675 -1.964 7.509 -16.443 635 HB1 ALA 675 1HB ALA 675 -3.419 5.565 -16.864 636 HB2 ALA 675 2HB ALA 675 -2.296 4.530 -15.958 637 HB3 ALA 675 3HB ALA 675 -3.161 5.842 -15.131 638 H GLU 676 H GLU 676 -1.452 7.862 -14.232 639 HA GLU 676 HA GLU 676 0.997 6.429 -13.250 640 HB2 GLU 676 1HB GLU 676 1.473 8.741 -14.080 641 HB3 GLU 676 2HB GLU 676 0.264 9.375 -12.967 642 HG2 GLU 676 1HG GLU 676 1.624 8.418 -11.099 643 HG3 GLU 676 2HG GLU 676 2.860 8.020 -12.307 644 H ASN 677 H ASN 677 0.319 5.254 -11.483 645 HA ASN 677 HA ASN 677 -1.836 6.520 -9.858 646 HB2 ASN 677 1HB ASN 677 -2.404 4.445 -8.906 647 HB3 ASN 677 2HB ASN 677 -2.269 4.160 -10.639 648 HD21 ASN 677 1HD2 ASN 677 -0.664 1.276 -9.202 649 HD22 ASN 677 2HD2 ASN 677 -2.251 1.955 -9.497 650 H GLN 678 H GLN 678 -1.311 5.770 -7.351 651 HA GLN 678 HA GLN 678 0.915 7.492 -6.825 652 HB2 GLN 678 1HB GLN 678 -1.239 7.401 -5.642 653 HB3 GLN 678 2HB GLN 678 -0.709 5.891 -4.850 654 HG2 GLN 678 1HG GLN 678 1.088 7.074 -3.714 655 HG3 GLN 678 2HG GLN 678 0.779 8.539 -4.665 656 HE21 GLN 678 1HE2 GLN 678 -1.059 8.091 -1.196 657 HE22 GLN 678 2HE2 GLN 678 0.368 7.217 -1.701 658 H GLN 679 H GLN 679 1.145 4.362 -7.762 659 HA GLN 679 HA GLN 679 3.590 3.926 -6.088 660 HB2 GLN 679 1HB GLN 679 1.384 2.152 -6.898 661 HB3 GLN 679 2HB GLN 679 2.985 1.503 -7.247 662 HG2 GLN 679 1HG GLN 679 2.401 0.725 -5.098 663 HG3 GLN 679 2HG GLN 679 3.651 1.944 -4.887 664 HE21 GLN 679 1HE2 GLN 679 -0.089 3.362 -3.945 665 HE22 GLN 679 2HE2 GLN 679 0.233 2.661 -5.514 666 H GLY 680 H GLY 680 2.261 3.865 -9.423 667 HA2 GLY 680 1HA GLY 680 4.890 4.273 -10.520 668 HA3 GLY 680 2HA GLY 680 4.383 2.590 -10.716 669 H LYS 681 H LYS 681 4.726 3.408 -13.049 670 HA LYS 681 HA LYS 681 2.277 4.796 -14.049 671 HB2 LYS 681 1HB LYS 681 5.077 4.501 -15.146 672 HB3 LYS 681 2HB LYS 681 3.718 5.002 -16.151 673 HG2 LYS 681 1HG LYS 681 3.652 6.598 -13.786 674 HG3 LYS 681 2HG LYS 681 5.324 6.579 -14.366 675 HD2 LYS 681 1HD LYS 681 3.753 6.915 -16.686 676 HD3 LYS 681 2HD LYS 681 2.988 7.942 -15.468 677 HE2 LYS 681 1HE LYS 681 5.972 7.951 -15.852 678 HE3 LYS 681 2HE LYS 681 4.918 8.868 -16.948 679 HZ1 LYS 681 1HZ LYS 681 4.079 10.105 -15.065 680 HZ2 LYS 681 2HZ LYS 681 5.723 10.211 -15.076 681 HZ3 LYS 681 3HZ LYS 681 4.958 9.222 -14.001 682 H SER 682 H SER 682 1.335 4.145 -16.004 683 HA SER 682 HA SER 682 1.052 1.229 -16.113 684 HB2 SER 682 1HB SER 682 -0.903 1.654 -17.317 685 HB3 SER 682 2HB SER 682 -0.782 3.087 -16.311 686 HG SER 682 HG SER 682 -0.212 2.819 -19.063 687 H LYS 683 H LYS 683 0.817 0.177 -18.311 688 HA LYS 683 HA LYS 683 3.203 0.617 -19.920 689 HB2 LYS 683 1HB LYS 683 1.685 -1.565 -19.590 690 HB3 LYS 683 2HB LYS 683 0.746 -0.826 -20.881 691 HG2 LYS 683 1HG LYS 683 3.030 -0.670 -22.151 692 HG3 LYS 683 2HG LYS 683 3.578 -1.867 -20.968 693 HD2 LYS 683 1HD LYS 683 2.851 -3.115 -22.851 694 HD3 LYS 683 2HD LYS 683 1.530 -3.264 -21.671 695 HE2 LYS 683 1HE LYS 683 0.302 -1.447 -22.812 696 HE3 LYS 683 2HE LYS 683 1.643 -1.241 -23.948 697 HZ1 LYS 683 1HZ LYS 683 1.224 -3.468 -24.776 698 HZ2 LYS 683 2HZ LYS 683 -0.127 -2.534 -24.919 699 HZ3 LYS 683 3HZ LYS 683 -0.033 -3.669 -23.725 700 H ALA 684 H ALA 684 3.258 1.717 -21.935 701 HA ALA 684 HA ALA 684 1.221 3.731 -22.350 702 HB1 ALA 684 1HB ALA 684 2.580 4.353 -24.300 703 HB2 ALA 684 2HB ALA 684 3.644 4.070 -22.901 704 HB3 ALA 684 3HB ALA 684 3.501 2.833 -24.180 705 H ALA 685 H ALA 685 -0.280 3.911 -23.974 706 HA ALA 685 HA ALA 685 -0.592 1.561 -25.811 707 HB1 ALA 685 1HB ALA 685 -3.005 1.867 -25.742 708 HB2 ALA 685 2HB ALA 685 -2.457 1.702 -24.058 709 HB3 ALA 685 3HB ALA 685 -2.845 3.307 -24.720 710 H HIS 686 H HIS 686 -0.946 2.265 -27.965 711 HA HIS 686 HA HIS 686 -0.922 5.173 -28.409 712 HB2 HIS 686 1HB HIS 686 0.921 4.853 -30.080 713 HB3 HIS 686 2HB HIS 686 1.374 4.639 -28.391 714 HD1 HIS 686 HD1 HIS 686 0.884 2.618 -31.554 715 HD2 HIS 686 HD2 HIS 686 2.259 2.142 -27.660 716 HE1 HIS 686 HE1 HIS 686 1.987 0.349 -31.446 717 H PHE 687 H PHE 687 -1.637 5.896 -30.396 718 HA PHE 687 HA PHE 687 -2.428 3.872 -32.373 719 HB2 PHE 687 1HB PHE 687 -4.697 4.254 -32.413 720 HB3 PHE 687 2HB PHE 687 -4.346 4.230 -30.685 721 HD1 PHE 687 HD1 PHE 687 -4.060 6.541 -29.487 722 HD2 PHE 687 HD2 PHE 687 -5.780 6.075 -33.412 723 HE1 PHE 687 HE1 PHE 687 -5.231 8.736 -29.245 724 HE2 PHE 687 HE2 PHE 687 -6.934 8.243 -33.173 725 HZ PHE 687 HZ PHE 687 -6.697 9.574 -31.083 726 H VAL 688 H VAL 688 -3.066 4.820 -34.405 727 HA VAL 688 HA VAL 688 -1.809 7.495 -34.829 728 HB VAL 688 HB VAL 688 -1.643 4.985 -36.579 729 HG11 VAL 688 1HG1 VAL 688 -0.359 7.713 -36.906 730 HG12 VAL 688 2HG1 VAL 688 -0.029 6.284 -37.911 731 HG13 VAL 688 3HG1 VAL 688 -1.642 7.014 -37.924 732 HG21 VAL 688 1HG2 VAL 688 0.469 6.358 -34.849 733 HG22 VAL 688 2HG2 VAL 688 -0.209 4.729 -34.614 734 HG23 VAL 688 3HG2 VAL 688 0.809 5.068 -36.025 735 H PHE 689 H PHE 689 -2.964 8.868 -36.222 736 HA PHE 689 HA PHE 689 -5.335 7.771 -37.632 737 HB2 PHE 689 1HB PHE 689 -6.044 8.246 -35.298 738 HB3 PHE 689 2HB PHE 689 -5.511 9.913 -35.485 739 HD1 PHE 689 HD1 PHE 689 -6.870 11.531 -36.700 740 HD2 PHE 689 HD2 PHE 689 -8.034 7.399 -36.542 741 HE1 PHE 689 HE1 PHE 689 -9.110 12.158 -37.522 742 HE2 PHE 689 HE2 PHE 689 -10.300 8.019 -37.381 743 HZ PHE 689 HZ PHE 689 -10.844 10.419 -37.852 744 H ARG 690 H ARG 690 -6.289 9.236 -39.130 745 HA ARG 690 HA ARG 690 -5.300 11.939 -39.572 746 HB2 ARG 690 1HB ARG 690 -5.043 10.888 -42.152 747 HB3 ARG 690 2HB ARG 690 -3.773 11.559 -41.166 748 HG2 ARG 690 1HG ARG 690 -2.932 9.531 -41.970 749 HG3 ARG 690 2HG ARG 690 -3.314 9.247 -40.279 750 HD2 ARG 690 1HD ARG 690 -5.456 8.157 -41.008 751 HD3 ARG 690 2HD ARG 690 -4.901 8.333 -42.691 752 HE ARG 690 HE ARG 690 -2.787 7.170 -41.204 753 HH11 ARG 690 1HH1 ARG 690 -6.030 6.211 -42.257 754 HH12 ARG 690 2HH1 ARG 690 -5.616 4.516 -42.236 755 HH21 ARG 690 1HH2 ARG 690 -2.334 5.083 -41.224 756 HH22 ARG 690 2HH2 ARG 690 -3.529 3.875 -41.655 757 H THR 691 H THR 691 -6.760 12.908 -41.274 758 HA THR 691 HA THR 691 -9.018 11.205 -42.124 759 HB THR 691 HB THR 691 -9.659 11.850 -39.828 760 HG1 THR 691 HG1 THR 691 -11.634 12.874 -40.379 761 HG21 THR 691 1HG2 THR 691 -8.475 13.829 -39.361 762 HG22 THR 691 2HG2 THR 691 -10.181 14.326 -39.429 763 HG23 THR 691 3HG2 THR 691 -9.099 14.653 -40.800 764 H HIS 692 H HIS 692 -10.733 13.045 -43.073 765 HA HIS 692 HA HIS 692 -11.143 14.356 -44.895 766 HB2 HIS 692 1HB HIS 692 -8.864 15.972 -43.725 767 HB3 HIS 692 2HB HIS 692 -10.011 16.552 -44.937 768 HD1 HIS 692 HD1 HIS 692 -12.687 16.328 -44.051 769 HD2 HIS 692 HD2 HIS 692 -9.654 16.583 -41.225 770 HE1 HIS 692 HE1 HIS 692 -13.770 17.048 -41.882 771 H HIS 693 H HIS 693 -9.401 12.159 -45.552 772 HA HIS 693 HA HIS 693 -7.238 13.020 -47.198 773 HB2 HIS 693 1HB HIS 693 -8.982 10.540 -47.439 774 HB3 HIS 693 2HB HIS 693 -7.420 10.782 -48.233 775 HD1 HIS 693 HD1 HIS 693 -5.488 11.536 -46.156 776 HD2 HIS 693 HD2 HIS 693 -8.656 8.991 -45.280 777 HE1 HIS 693 HE1 HIS 693 -4.825 10.236 -44.102 778 H HIS 694 H HIS 694 -7.091 13.505 -49.354 779 HA HIS 694 HA HIS 694 -9.299 14.763 -50.615 780 HB2 HIS 694 1HB HIS 694 -6.786 15.106 -50.966 781 HB3 HIS 694 2HB HIS 694 -6.840 13.691 -52.025 782 HD1 HIS 694 HD1 HIS 694 -8.107 17.268 -51.799 783 HD2 HIS 694 HD2 HIS 694 -7.901 14.141 -54.533 784 HE1 HIS 694 HE1 HIS 694 -8.775 18.220 -54.042 785 H HIS 695 H HIS 695 -8.687 11.444 -50.330 786 HA HIS 695 HA HIS 695 -9.688 10.532 -52.872 787 HB2 HIS 695 1HB HIS 695 -9.631 9.165 -50.156 788 HB3 HIS 695 2HB HIS 695 -9.880 8.363 -51.712 789 HD1 HIS 695 HD1 HIS 695 -7.487 7.583 -49.851 790 HD2 HIS 695 HD2 HIS 695 -7.263 10.327 -52.969 791 HE1 HIS 695 HE1 HIS 695 -5.056 7.718 -50.531 792 H HIS 696 H HIS 696 -11.212 12.002 -50.154 793 HA HIS 696 HA HIS 696 -13.867 11.193 -51.233 794 HB2 HIS 696 1HB HIS 696 -13.393 9.780 -49.263 795 HB3 HIS 696 2HB HIS 696 -13.063 11.223 -48.297 796 HD1 HIS 696 HD1 HIS 696 -15.254 12.903 -48.038 797 HD2 HIS 696 HD2 HIS 696 -15.977 8.985 -49.226 798 HE1 HIS 696 HE1 HIS 696 -17.704 12.460 -47.622 799 H HIS 697 H HIS 697 -14.440 13.109 -52.117 800 HA HIS 697 HA HIS 697 -15.202 15.272 -50.351 801 HB2 HIS 697 1HB HIS 697 -13.902 17.031 -51.372 802 HB3 HIS 697 2HB HIS 697 -12.764 15.839 -50.732 803 HD1 HIS 697 HD1 HIS 697 -14.492 16.526 -54.118 804 HD2 HIS 697 HD2 HIS 697 -10.838 15.232 -52.573 805 HE1 HIS 697 HE1 HIS 697 -12.944 16.200 -56.098 Start of MODEL 3 1 H1 MET 595 1H MET 595 5.206 0.828 -3.566 2 H2 MET 595 2H MET 595 6.785 0.444 -3.881 3 H3 MET 595 3H MET 595 6.065 1.701 -4.668 4 HA MET 595 HA MET 595 4.553 0.245 -5.756 5 HB2 MET 595 1HB MET 595 6.028 -0.631 -7.361 6 HB3 MET 595 2HB MET 595 6.692 0.891 -6.781 7 HG2 MET 595 1HG MET 595 7.633 -1.894 -5.966 8 HG3 MET 595 2HG MET 595 8.422 -0.846 -7.146 9 HE1 MET 595 1HE MET 595 11.113 -0.522 -4.395 10 HE2 MET 595 2HE MET 595 10.309 -1.956 -5.077 11 HE3 MET 595 3HE MET 595 10.794 -0.616 -6.143 12 H GLN 596 H GLN 596 6.665 -1.493 -3.426 13 HA GLN 596 HA GLN 596 5.920 -4.078 -4.143 14 HB2 GLN 596 1HB GLN 596 6.467 -3.015 -1.355 15 HB3 GLN 596 2HB GLN 596 6.479 -4.715 -1.829 16 HG2 GLN 596 1HG GLN 596 8.368 -2.547 -2.809 17 HG3 GLN 596 2HG GLN 596 8.753 -3.870 -1.701 18 HE21 GLN 596 1HE2 GLN 596 8.685 -6.360 -4.330 19 HE22 GLN 596 2HE2 GLN 596 8.169 -6.131 -2.677 20 HA PRO 597 HA PRO 597 2.354 -4.426 -1.311 21 HB2 PRO 597 1HB PRO 597 0.896 -2.436 -0.243 22 HB3 PRO 597 2HB PRO 597 2.496 -2.882 0.437 23 HG2 PRO 597 1HG PRO 597 1.801 -0.671 -1.481 24 HG3 PRO 597 2HG PRO 597 2.743 -0.586 0.041 25 HD2 PRO 597 1HD PRO 597 3.891 -0.809 -2.441 26 HD3 PRO 597 2HD PRO 597 4.645 -1.482 -0.954 27 H VAL 598 H VAL 598 2.101 -2.123 -3.916 28 HA VAL 598 HA VAL 598 -0.651 -3.087 -4.523 29 HB VAL 598 HB VAL 598 0.233 -0.201 -4.138 30 HG11 VAL 598 1HG1 VAL 598 -2.000 -1.211 -5.873 31 HG12 VAL 598 2HG1 VAL 598 -2.031 0.414 -5.160 32 HG13 VAL 598 3HG1 VAL 598 -0.733 -0.047 -6.279 33 HG21 VAL 598 1HG2 VAL 598 -2.180 -1.766 -3.161 34 HG22 VAL 598 2HG2 VAL 598 -0.783 -1.245 -2.195 35 HG23 VAL 598 3HG2 VAL 598 -1.898 -0.035 -2.863 36 H ARG 599 H ARG 599 -0.890 -3.539 -6.665 37 HA ARG 599 HA ARG 599 1.432 -3.361 -8.370 38 HB2 ARG 599 1HB ARG 599 0.077 -4.439 -10.049 39 HB3 ARG 599 2HB ARG 599 -0.226 -5.211 -8.489 40 HG2 ARG 599 1HG ARG 599 -2.341 -3.928 -8.277 41 HG3 ARG 599 2HG ARG 599 -2.030 -3.182 -9.856 42 HD2 ARG 599 1HD ARG 599 -2.043 -5.450 -10.897 43 HD3 ARG 599 2HD ARG 599 -2.477 -6.148 -9.326 44 HE ARG 599 HE ARG 599 -4.183 -4.487 -11.101 45 HH11 ARG 599 1HH1 ARG 599 -3.953 -6.172 -7.991 46 HH12 ARG 599 2HH1 ARG 599 -5.671 -6.059 -7.719 47 HH21 ARG 599 1HH2 ARG 599 -6.328 -4.393 -10.674 48 HH22 ARG 599 2HH2 ARG 599 -6.995 -5.093 -9.217 49 H GLU 600 H GLU 600 1.683 -2.315 -10.330 50 HA GLU 600 HA GLU 600 0.930 0.454 -10.352 51 HB2 GLU 600 1HB GLU 600 2.183 -1.405 -12.415 52 HB3 GLU 600 2HB GLU 600 1.996 0.326 -12.664 53 HG2 GLU 600 1HG GLU 600 4.220 0.051 -11.955 54 HG3 GLU 600 2HG GLU 600 3.348 0.693 -10.558 55 HA PRO 601 HA PRO 601 -2.797 0.304 -12.656 56 HB2 PRO 601 1HB PRO 601 -2.648 2.466 -14.358 57 HB3 PRO 601 2HB PRO 601 -2.964 2.577 -12.608 58 HG2 PRO 601 1HG PRO 601 -0.420 2.973 -14.083 59 HG3 PRO 601 2HG PRO 601 -1.126 3.943 -12.771 60 HD2 PRO 601 1HD PRO 601 0.851 2.129 -12.393 61 HD3 PRO 601 2HD PRO 601 -0.396 2.472 -11.153 62 H SER 602 H SER 602 -3.821 0.091 -14.752 63 HA SER 602 HA SER 602 -2.225 -1.683 -16.452 64 HB2 SER 602 1HB SER 602 -5.163 -0.885 -16.474 65 HB3 SER 602 2HB SER 602 -4.429 -2.105 -17.536 66 HG SER 602 HG SER 602 -4.685 -2.165 -14.710 67 H ALA 603 H ALA 603 -2.150 -1.493 -18.759 68 HA ALA 603 HA ALA 603 -1.489 1.071 -19.730 69 HB1 ALA 603 1HB ALA 603 -0.863 -1.166 -20.784 70 HB2 ALA 603 2HB ALA 603 -2.529 -1.270 -21.394 71 HB3 ALA 603 3HB ALA 603 -1.462 0.046 -21.937 72 HA PRO 604 HA PRO 604 -5.568 2.694 -20.079 73 HB2 PRO 604 1HB PRO 604 -5.201 4.775 -21.823 74 HB3 PRO 604 2HB PRO 604 -4.614 4.803 -20.127 75 HG2 PRO 604 1HG PRO 604 -3.141 4.085 -22.615 76 HG3 PRO 604 2HG PRO 604 -2.679 5.220 -21.319 77 HD2 PRO 604 1HD PRO 604 -1.704 2.741 -21.417 78 HD3 PRO 604 2HD PRO 604 -2.140 3.510 -19.848 79 H LYS 605 H LYS 605 -7.361 2.782 -21.371 80 HA LYS 605 HA LYS 605 -7.298 0.905 -23.624 81 HB2 LYS 605 1HB LYS 605 -9.747 1.086 -23.494 82 HB3 LYS 605 2HB LYS 605 -9.030 0.737 -21.922 83 HG2 LYS 605 1HG LYS 605 -9.217 3.228 -21.387 84 HG3 LYS 605 2HG LYS 605 -10.140 3.387 -22.887 85 HD2 LYS 605 1HD LYS 605 -11.775 3.163 -21.202 86 HD3 LYS 605 2HD LYS 605 -11.679 1.556 -21.949 87 HE2 LYS 605 1HE LYS 605 -10.093 0.869 -20.089 88 HE3 LYS 605 2HE LYS 605 -10.368 2.449 -19.331 89 HZ1 LYS 605 1HZ LYS 605 -11.843 0.819 -18.359 90 HZ2 LYS 605 2HZ LYS 605 -12.415 0.352 -19.837 91 HZ3 LYS 605 3HZ LYS 605 -12.765 1.852 -19.254 92 H LEU 606 H LEU 606 -8.514 1.463 -25.672 93 HA LEU 606 HA LEU 606 -8.437 4.327 -26.347 94 HB2 LEU 606 1HB LEU 606 -6.143 3.454 -26.713 95 HB3 LEU 606 2HB LEU 606 -6.777 2.214 -27.774 96 HG LEU 606 HG LEU 606 -5.588 4.249 -28.768 97 HD11 LEU 606 1HD1 LEU 606 -6.992 4.255 -30.788 98 HD12 LEU 606 2HD1 LEU 606 -8.291 3.440 -29.895 99 HD13 LEU 606 3HD1 LEU 606 -6.744 2.616 -30.156 100 HD21 LEU 606 1HD2 LEU 606 -6.975 6.192 -29.281 101 HD22 LEU 606 2HD2 LEU 606 -6.757 5.984 -27.532 102 HD23 LEU 606 3HD2 LEU 606 -8.290 5.536 -28.303 103 H GLU 607 H GLU 607 -10.252 4.736 -27.437 104 HA GLU 607 HA GLU 607 -11.475 2.514 -29.007 105 HB2 GLU 607 1HB GLU 607 -12.986 4.982 -28.251 106 HB3 GLU 607 2HB GLU 607 -13.584 3.357 -28.565 107 HG2 GLU 607 1HG GLU 607 -12.170 4.392 -26.112 108 HG3 GLU 607 2HG GLU 607 -13.845 3.863 -26.227 109 H GLY 608 H GLY 608 -9.793 5.452 -29.357 110 HA2 GLY 608 1HA GLY 608 -9.205 6.632 -31.239 111 HA3 GLY 608 2HA GLY 608 -9.772 5.237 -32.155 112 H GLN 609 H GLN 609 -11.741 7.478 -30.175 113 HA GLN 609 HA GLN 609 -13.625 7.604 -32.401 114 HB2 GLN 609 1HB GLN 609 -13.603 8.895 -29.663 115 HB3 GLN 609 2HB GLN 609 -14.951 8.997 -30.807 116 HG2 GLN 609 1HG GLN 609 -13.834 6.422 -29.636 117 HG3 GLN 609 2HG GLN 609 -15.305 7.242 -29.090 118 HE21 GLN 609 1HE2 GLN 609 -15.511 4.606 -32.039 119 HE22 GLN 609 2HE2 GLN 609 -14.160 4.770 -30.937 120 H MET 610 H MET 610 -13.372 8.887 -34.044 121 HA MET 610 HA MET 610 -11.574 11.003 -34.316 122 HB2 MET 610 1HB MET 610 -12.785 9.757 -36.128 123 HB3 MET 610 2HB MET 610 -14.239 10.681 -35.738 124 HG2 MET 610 1HG MET 610 -13.047 12.782 -36.330 125 HG3 MET 610 2HG MET 610 -11.606 11.835 -36.732 126 HE1 MET 610 1HE MET 610 -15.559 11.722 -37.483 127 HE2 MET 610 2HE MET 610 -14.914 13.328 -37.904 128 HE3 MET 610 3HE MET 610 -15.491 12.236 -39.185 129 H GLY 611 H GLY 611 -11.619 13.218 -34.200 130 HA2 GLY 611 1HA GLY 611 -13.692 14.363 -32.454 131 HA3 GLY 611 2HA GLY 611 -12.231 15.173 -33.053 132 H GLU 612 H GLU 612 -15.475 15.269 -33.177 133 HA GLU 612 HA GLU 612 -15.943 15.616 -36.033 134 HB2 GLU 612 1HB GLU 612 -18.161 16.451 -35.287 135 HB3 GLU 612 2HB GLU 612 -17.763 14.859 -34.647 136 HG2 GLU 612 1HG GLU 612 -17.331 17.365 -32.988 137 HG3 GLU 612 2HG GLU 612 -18.903 16.561 -33.073 138 H ASP 613 H ASP 613 -14.808 17.588 -33.432 139 HA ASP 613 HA ASP 613 -15.449 20.188 -34.492 140 HB2 ASP 613 1HB ASP 613 -13.169 19.208 -32.718 141 HB3 ASP 613 2HB ASP 613 -13.493 20.910 -33.053 142 H GLY 614 H GLY 614 -13.206 17.720 -35.376 143 HA2 GLY 614 1HA GLY 614 -11.602 17.687 -37.070 144 HA3 GLY 614 2HA GLY 614 -11.924 19.411 -37.397 145 H ASN 615 H ASN 615 -9.284 18.440 -37.243 146 HA ASN 615 HA ASN 615 -7.257 18.807 -36.207 147 HB2 ASN 615 1HB ASN 615 -8.550 21.150 -36.406 148 HB3 ASN 615 2HB ASN 615 -8.431 21.097 -34.645 149 HD21 ASN 615 1HD2 ASN 615 -4.824 21.274 -34.731 150 HD22 ASN 615 2HD2 ASN 615 -6.129 20.416 -33.919 151 H SER 616 H SER 616 -9.246 17.038 -34.777 152 HA SER 616 HA SER 616 -7.970 16.946 -32.138 153 HB2 SER 616 1HB SER 616 -10.145 17.204 -30.964 154 HB3 SER 616 2HB SER 616 -9.663 18.672 -31.835 155 HG SER 616 HG SER 616 -11.150 18.306 -33.369 156 H ILE 617 H ILE 617 -8.838 15.176 -30.758 157 HA ILE 617 HA ILE 617 -10.619 13.198 -31.953 158 HB ILE 617 HB ILE 617 -8.406 12.731 -33.043 159 HG12 ILE 617 1HG1 ILE 617 -9.151 10.410 -31.273 160 HG13 ILE 617 2HG1 ILE 617 -10.296 11.064 -32.439 161 HG21 ILE 617 1HG2 ILE 617 -6.558 11.749 -31.793 162 HG22 ILE 617 2HG2 ILE 617 -6.958 13.300 -31.042 163 HG23 ILE 617 3HG2 ILE 617 -7.491 11.788 -30.280 164 HD11 ILE 617 1HD1 ILE 617 -9.057 9.110 -33.265 165 HD12 ILE 617 2HD1 ILE 617 -8.871 10.562 -34.268 166 HD13 ILE 617 3HD1 ILE 617 -7.561 10.069 -33.176 167 H LYS 618 H LYS 618 -11.257 11.532 -30.418 168 HA LYS 618 HA LYS 618 -10.553 12.271 -27.599 169 HB2 LYS 618 1HB LYS 618 -12.873 10.553 -28.507 170 HB3 LYS 618 2HB LYS 618 -12.609 11.252 -26.920 171 HG2 LYS 618 1HG LYS 618 -14.117 12.773 -27.594 172 HG3 LYS 618 2HG LYS 618 -12.750 13.524 -28.429 173 HD2 LYS 618 1HD LYS 618 -13.471 12.828 -30.513 174 HD3 LYS 618 2HD LYS 618 -14.187 11.339 -29.885 175 HE2 LYS 618 1HE LYS 618 -16.015 12.729 -28.853 176 HE3 LYS 618 2HE LYS 618 -15.347 14.132 -29.717 177 HZ1 LYS 618 1HZ LYS 618 -16.989 13.275 -31.113 178 HZ2 LYS 618 2HZ LYS 618 -16.551 11.697 -30.872 179 HZ3 LYS 618 3HZ LYS 618 -15.593 12.690 -31.776 180 H VAL 619 H VAL 619 -9.475 10.854 -26.376 181 HA VAL 619 HA VAL 619 -9.346 7.998 -27.288 182 HB VAL 619 HB VAL 619 -7.090 8.187 -27.477 183 HG11 VAL 619 1HG1 VAL 619 -7.284 10.574 -27.952 184 HG12 VAL 619 2HG1 VAL 619 -7.277 10.957 -26.210 185 HG13 VAL 619 3HG1 VAL 619 -5.833 10.271 -26.981 186 HG21 VAL 619 1HG2 VAL 619 -7.120 7.291 -25.170 187 HG22 VAL 619 2HG2 VAL 619 -5.699 8.316 -25.464 188 HG23 VAL 619 3HG2 VAL 619 -7.066 8.951 -24.523 189 H ASN 620 H ASN 620 -9.808 6.537 -25.584 190 HA ASN 620 HA ASN 620 -11.271 7.824 -23.399 191 HB2 ASN 620 1HB ASN 620 -11.044 5.044 -24.467 192 HB3 ASN 620 2HB ASN 620 -11.481 5.256 -22.770 193 HD21 ASN 620 1HD2 ASN 620 -14.060 6.877 -25.515 194 HD22 ASN 620 2HD2 ASN 620 -12.341 6.919 -25.829 195 H LEU 621 H LEU 621 -11.013 7.397 -21.224 196 HA LEU 621 HA LEU 621 -8.247 6.676 -20.455 197 HB2 LEU 621 1HB LEU 621 -9.465 9.222 -20.334 198 HB3 LEU 621 2HB LEU 621 -9.366 8.608 -18.685 199 HG LEU 621 HG LEU 621 -6.972 8.241 -18.907 200 HD11 LEU 621 1HD1 LEU 621 -6.578 7.775 -21.221 201 HD12 LEU 621 2HD1 LEU 621 -5.757 9.307 -20.858 202 HD13 LEU 621 3HD1 LEU 621 -7.307 9.316 -21.730 203 HD21 LEU 621 1HD2 LEU 621 -7.973 10.984 -19.837 204 HD22 LEU 621 2HD2 LEU 621 -6.385 10.677 -19.100 205 HD23 LEU 621 3HD2 LEU 621 -7.860 10.404 -18.164 206 H ILE 622 H ILE 622 -7.985 5.890 -18.360 207 HA ILE 622 HA ILE 622 -9.794 3.885 -17.642 208 HB ILE 622 HB ILE 622 -7.445 5.283 -16.439 209 HG12 ILE 622 1HG1 ILE 622 -7.360 2.396 -16.524 210 HG13 ILE 622 2HG1 ILE 622 -7.894 3.052 -18.077 211 HG21 ILE 622 1HG2 ILE 622 -9.225 3.482 -14.857 212 HG22 ILE 622 2HG2 ILE 622 -7.493 3.555 -14.549 213 HG23 ILE 622 3HG2 ILE 622 -8.487 5.018 -14.401 214 HD11 ILE 622 1HD1 ILE 622 -5.476 2.815 -17.998 215 HD12 ILE 622 2HD1 ILE 622 -5.946 4.538 -18.133 216 HD13 ILE 622 3HD1 ILE 622 -5.407 3.860 -16.570 217 H LYS 623 H LYS 623 -11.624 3.782 -16.485 218 HA LYS 623 HA LYS 623 -12.273 6.035 -14.691 219 HB2 LYS 623 1HB LYS 623 -14.726 5.531 -15.221 220 HB3 LYS 623 2HB LYS 623 -13.782 6.410 -16.405 221 HG2 LYS 623 1HG LYS 623 -14.020 3.416 -16.734 222 HG3 LYS 623 2HG LYS 623 -15.419 4.440 -17.110 223 HD2 LYS 623 1HD LYS 623 -13.422 5.831 -18.354 224 HD3 LYS 623 2HD LYS 623 -12.827 4.179 -18.543 225 HE2 LYS 623 1HE LYS 623 -14.468 3.647 -20.050 226 HE3 LYS 623 2HE LYS 623 -15.704 4.613 -19.200 227 HZ1 LYS 623 1HZ LYS 623 -13.500 6.018 -20.535 228 HZ2 LYS 623 2HZ LYS 623 -15.035 6.531 -20.234 229 HZ3 LYS 623 3HZ LYS 623 -14.748 5.460 -21.463 230 H GLN 624 H GLN 624 -11.126 3.221 -14.323 231 HA GLN 624 HA GLN 624 -12.801 2.581 -11.953 232 HB2 GLN 624 1HB GLN 624 -12.768 0.226 -12.442 233 HB3 GLN 624 2HB GLN 624 -13.472 1.054 -13.833 234 HG2 GLN 624 1HG GLN 624 -10.579 0.097 -13.694 235 HG3 GLN 624 2HG GLN 624 -11.898 -0.840 -14.394 236 HE21 GLN 624 1HE2 GLN 624 -9.949 1.850 -16.600 237 HE22 GLN 624 2HE2 GLN 624 -9.484 1.422 -14.975 238 H ASP 625 H ASP 625 -11.409 1.148 -10.392 239 HA ASP 625 HA ASP 625 -8.681 2.219 -10.469 240 HB2 ASP 625 1HB ASP 625 -8.378 1.020 -8.338 241 HB3 ASP 625 2HB ASP 625 -9.791 2.084 -8.309 242 H ASP 626 H ASP 626 -6.974 1.242 -11.298 243 HA ASP 626 HA ASP 626 -7.373 -1.283 -12.748 244 HB2 ASP 626 1HB ASP 626 -5.042 0.632 -12.440 245 HB3 ASP 626 2HB ASP 626 -5.001 -0.825 -13.448 246 H GLY 627 H GLY 627 -5.902 -0.156 -9.834 247 HA2 GLY 627 1HA GLY 627 -4.270 -2.635 -9.668 248 HA3 GLY 627 2HA GLY 627 -3.705 -1.075 -9.113 249 H GLY 628 H GLY 628 -3.461 -1.150 -7.132 250 HA2 GLY 628 1HA GLY 628 -5.533 -2.434 -5.382 251 HA3 GLY 628 2HA GLY 628 -3.840 -2.144 -4.920 252 H SER 629 H SER 629 -4.789 0.411 -6.746 253 HA SER 629 HA SER 629 -6.227 1.961 -4.740 254 HB2 SER 629 1HB SER 629 -4.481 3.711 -4.592 255 HB3 SER 629 2HB SER 629 -3.868 2.173 -3.950 256 HG SER 629 HG SER 629 -2.385 3.207 -5.367 257 HA PRO 630 HA PRO 630 -7.400 3.537 -8.672 258 HB2 PRO 630 1HB PRO 630 -8.326 6.046 -8.180 259 HB3 PRO 630 2HB PRO 630 -9.165 4.591 -7.546 260 HG2 PRO 630 1HG PRO 630 -7.170 6.368 -6.167 261 HG3 PRO 630 2HG PRO 630 -8.799 5.866 -5.611 262 HD2 PRO 630 1HD PRO 630 -6.560 4.595 -4.790 263 HD3 PRO 630 2HD PRO 630 -8.081 3.690 -5.120 264 H ILE 631 H ILE 631 -7.002 5.221 -10.300 265 HA ILE 631 HA ILE 631 -4.226 5.885 -10.543 266 HB ILE 631 HB ILE 631 -6.763 6.353 -12.118 267 HG12 ILE 631 1HG1 ILE 631 -5.324 5.415 -13.949 268 HG13 ILE 631 2HG1 ILE 631 -3.986 5.299 -12.802 269 HG21 ILE 631 1HG2 ILE 631 -5.727 8.573 -12.284 270 HG22 ILE 631 2HG2 ILE 631 -4.173 7.838 -12.722 271 HG23 ILE 631 3HG2 ILE 631 -5.550 7.703 -13.801 272 HD11 ILE 631 1HD1 ILE 631 -5.107 3.592 -11.541 273 HD12 ILE 631 2HD1 ILE 631 -6.630 3.853 -12.434 274 HD13 ILE 631 3HD1 ILE 631 -5.219 3.165 -13.259 275 H ARG 632 H ARG 632 -3.255 8.018 -10.570 276 HA ARG 632 HA ARG 632 -4.752 10.017 -8.888 277 HB2 ARG 632 1HB ARG 632 -1.855 9.277 -9.112 278 HB3 ARG 632 2HB ARG 632 -2.243 10.961 -8.840 279 HG2 ARG 632 1HG ARG 632 -1.682 9.682 -6.744 280 HG3 ARG 632 2HG ARG 632 -3.253 10.498 -6.701 281 HD2 ARG 632 1HD ARG 632 -3.143 7.602 -7.531 282 HD3 ARG 632 2HD ARG 632 -2.970 8.003 -5.818 283 HE ARG 632 HE ARG 632 -5.365 8.311 -7.518 284 HH11 ARG 632 1HH1 ARG 632 -3.936 8.990 -4.328 285 HH12 ARG 632 2HH1 ARG 632 -5.492 9.394 -3.648 286 HH21 ARG 632 1HH2 ARG 632 -7.262 8.834 -6.562 287 HH22 ARG 632 2HH2 ARG 632 -7.338 9.286 -4.878 288 H HIS 633 H HIS 633 -2.451 9.684 -11.656 289 HA HIS 633 HA HIS 633 -3.879 11.950 -12.972 290 HB2 HIS 633 1HB HIS 633 -0.859 11.700 -12.909 291 HB3 HIS 633 2HB HIS 633 -1.821 13.046 -13.531 292 HD1 HIS 633 HD1 HIS 633 0.082 12.085 -10.626 293 HD2 HIS 633 HD2 HIS 633 -3.364 14.312 -11.289 294 HE1 HIS 633 HE1 HIS 633 -0.262 13.507 -8.575 295 H TYR 634 H TYR 634 -3.004 12.277 -15.263 296 HA TYR 634 HA TYR 634 -2.113 9.731 -16.563 297 HB2 TYR 634 1HB TYR 634 -4.195 11.676 -17.611 298 HB3 TYR 634 2HB TYR 634 -3.556 10.276 -18.475 299 HD1 TYR 634 HD1 TYR 634 -6.006 11.463 -16.085 300 HD2 TYR 634 HD2 TYR 634 -4.019 7.961 -17.587 301 HE1 TYR 634 HE1 TYR 634 -7.798 10.048 -15.162 302 HE2 TYR 634 HE2 TYR 634 -5.803 6.550 -16.618 303 HH TYR 634 HH TYR 634 -8.649 7.940 -14.981 304 H LEU 635 H LEU 635 -0.810 10.043 -18.370 305 HA LEU 635 HA LEU 635 -0.031 12.874 -18.946 306 HB2 LEU 635 1HB LEU 635 1.850 10.517 -18.797 307 HB3 LEU 635 2HB LEU 635 2.295 12.181 -19.124 308 HG LEU 635 HG LEU 635 1.123 11.211 -16.485 309 HD11 LEU 635 1HD1 LEU 635 3.262 10.101 -16.962 310 HD12 LEU 635 2HD1 LEU 635 3.399 11.249 -15.610 311 HD13 LEU 635 3HD1 LEU 635 4.032 11.692 -17.217 312 HD21 LEU 635 1HD2 LEU 635 0.879 13.651 -16.923 313 HD22 LEU 635 2HD2 LEU 635 2.641 13.764 -17.134 314 HD23 LEU 635 3HD2 LEU 635 1.958 13.298 -15.563 315 H VAL 636 H VAL 636 -0.187 13.315 -21.091 316 HA VAL 636 HA VAL 636 -0.248 11.004 -23.010 317 HB VAL 636 HB VAL 636 -1.693 13.650 -23.439 318 HG11 VAL 636 1HG1 VAL 636 -1.951 10.891 -24.698 319 HG12 VAL 636 2HG1 VAL 636 -3.061 12.237 -25.015 320 HG13 VAL 636 3HG1 VAL 636 -1.353 12.374 -25.475 321 HG21 VAL 636 1HG2 VAL 636 -3.810 12.459 -22.776 322 HG22 VAL 636 2HG2 VAL 636 -2.811 11.134 -22.143 323 HG23 VAL 636 3HG2 VAL 636 -2.706 12.757 -21.423 324 H ARG 637 H ARG 637 0.910 11.249 -24.961 325 HA ARG 637 HA ARG 637 2.328 13.845 -25.434 326 HB2 ARG 637 1HB ARG 637 3.914 12.527 -24.139 327 HB3 ARG 637 2HB ARG 637 3.592 11.088 -25.122 328 HG2 ARG 637 1HG ARG 637 4.685 11.955 -26.988 329 HG3 ARG 637 2HG ARG 637 4.730 13.593 -26.337 330 HD2 ARG 637 1HD ARG 637 6.210 11.238 -25.143 331 HD3 ARG 637 2HD ARG 637 6.918 12.404 -26.280 332 HE ARG 637 HE ARG 637 5.740 13.836 -24.110 333 HH11 ARG 637 1HH1 ARG 637 8.554 11.794 -24.761 334 HH12 ARG 637 2HH1 ARG 637 9.487 12.522 -23.480 335 HH21 ARG 637 1HH2 ARG 637 6.958 14.693 -22.515 336 HH22 ARG 637 2HH2 ARG 637 8.601 14.157 -22.233 337 H TYR 638 H TYR 638 2.297 14.276 -27.673 338 HA TYR 638 HA TYR 638 1.864 12.008 -29.507 339 HB2 TYR 638 1HB TYR 638 -0.108 13.034 -30.556 340 HB3 TYR 638 2HB TYR 638 -0.409 12.540 -28.893 341 HD1 TYR 638 HD1 TYR 638 -0.865 15.129 -31.268 342 HD2 TYR 638 HD2 TYR 638 -0.150 14.498 -27.066 343 HE1 TYR 638 HE1 TYR 638 -1.834 17.373 -30.744 344 HE2 TYR 638 HE2 TYR 638 -1.077 16.745 -26.591 345 HH TYR 638 HH TYR 638 -2.532 18.800 -29.065 346 H ARG 639 H ARG 639 2.030 12.611 -31.778 347 HA ARG 639 HA ARG 639 3.417 15.195 -32.335 348 HB2 ARG 639 1HB ARG 639 5.270 13.876 -31.679 349 HB3 ARG 639 2HB ARG 639 4.649 12.425 -32.413 350 HG2 ARG 639 1HG ARG 639 5.298 14.628 -34.275 351 HG3 ARG 639 2HG ARG 639 6.661 13.900 -33.421 352 HD2 ARG 639 1HD ARG 639 6.352 11.831 -34.379 353 HD3 ARG 639 2HD ARG 639 4.613 12.077 -34.616 354 HE ARG 639 HE ARG 639 5.878 13.939 -36.273 355 HH11 ARG 639 1HH1 ARG 639 5.693 10.399 -36.033 356 HH12 ARG 639 2HH1 ARG 639 5.972 10.201 -37.752 357 HH21 ARG 639 1HH2 ARG 639 6.218 13.593 -38.417 358 HH22 ARG 639 2HH2 ARG 639 6.264 11.977 -39.076 359 H ALA 640 H ALA 640 3.455 15.576 -34.661 360 HA ALA 640 HA ALA 640 1.714 13.719 -36.211 361 HB1 ALA 640 1HB ALA 640 1.438 16.730 -36.355 362 HB2 ALA 640 2HB ALA 640 0.341 15.477 -36.961 363 HB3 ALA 640 3HB ALA 640 0.480 15.753 -35.216 364 H LEU 641 H LEU 641 1.742 14.480 -38.639 365 HA LEU 641 HA LEU 641 4.472 14.363 -39.504 366 HB2 LEU 641 1HB LEU 641 1.813 14.466 -40.694 367 HB3 LEU 641 2HB LEU 641 2.961 15.454 -41.600 368 HG LEU 641 HG LEU 641 4.473 13.503 -41.815 369 HD11 LEU 641 1HD1 LEU 641 2.206 11.946 -40.501 370 HD12 LEU 641 2HD1 LEU 641 3.829 12.185 -39.839 371 HD13 LEU 641 3HD1 LEU 641 3.610 11.221 -41.312 372 HD21 LEU 641 1HD2 LEU 641 3.121 12.306 -43.468 373 HD22 LEU 641 2HD2 LEU 641 2.808 14.052 -43.558 374 HD23 LEU 641 3HD2 LEU 641 1.632 12.977 -42.765 375 H SER 642 H SER 642 2.187 17.049 -39.060 376 HA SER 642 HA SER 642 4.326 18.968 -39.861 377 HB2 SER 642 1HB SER 642 2.035 19.043 -40.923 378 HB3 SER 642 2HB SER 642 1.388 19.520 -39.342 379 HG SER 642 HG SER 642 2.985 21.266 -39.432 380 H SER 643 H SER 643 3.604 17.526 -37.016 381 HA SER 643 HA SER 643 4.209 20.021 -35.494 382 HB2 SER 643 1HB SER 643 2.067 18.006 -34.746 383 HB3 SER 643 2HB SER 643 2.645 19.320 -33.713 384 HG SER 643 HG SER 643 1.532 19.711 -36.298 385 H GLU 644 H GLU 644 5.303 19.807 -33.570 386 HA GLU 644 HA GLU 644 7.123 17.558 -33.482 387 HB2 GLU 644 1HB GLU 644 8.254 18.794 -31.835 388 HB3 GLU 644 2HB GLU 644 7.616 20.007 -32.939 389 HG2 GLU 644 1HG GLU 644 6.146 19.298 -30.355 390 HG3 GLU 644 2HG GLU 644 7.501 20.417 -30.356 391 H TRP 645 H TRP 645 7.650 16.507 -31.320 392 HA TRP 645 HA TRP 645 5.392 15.175 -30.155 393 HB2 TRP 645 1HB TRP 645 8.297 15.504 -29.334 394 HB3 TRP 645 2HB TRP 645 7.126 14.682 -28.297 395 HD1 TRP 645 HD1 TRP 645 9.452 13.980 -31.107 396 HE1 TRP 645 HE1 TRP 645 9.155 11.621 -32.018 397 HE3 TRP 645 HE3 TRP 645 5.003 12.907 -28.837 398 HZ2 TRP 645 HZ2 TRP 645 7.233 9.521 -31.790 399 HZ3 TRP 645 HZ3 TRP 645 3.965 10.659 -29.222 400 HH2 TRP 645 HH2 TRP 645 5.091 8.991 -30.694 401 H LYS 646 H LYS 646 3.856 16.395 -29.238 402 HA LYS 646 HA LYS 646 4.378 18.798 -27.750 403 HB2 LYS 646 1HB LYS 646 2.023 16.899 -27.420 404 HB3 LYS 646 2HB LYS 646 2.067 18.615 -27.003 405 HG2 LYS 646 1HG LYS 646 2.174 17.426 -29.815 406 HG3 LYS 646 2HG LYS 646 0.799 18.229 -29.069 407 HD2 LYS 646 1HD LYS 646 2.099 20.349 -28.975 408 HD3 LYS 646 2HD LYS 646 3.432 19.531 -29.828 409 HE2 LYS 646 1HE LYS 646 1.892 18.992 -31.695 410 HE3 LYS 646 2HE LYS 646 0.579 19.844 -30.862 411 HZ1 LYS 646 1HZ LYS 646 3.104 21.084 -31.819 412 HZ2 LYS 646 2HZ LYS 646 1.877 21.881 -31.052 413 HZ3 LYS 646 3HZ LYS 646 1.625 21.223 -32.543 414 HA PRO 647 HA PRO 647 6.428 16.787 -24.624 415 HB2 PRO 647 1HB PRO 647 6.276 18.455 -22.447 416 HB3 PRO 647 2HB PRO 647 7.227 18.813 -23.925 417 HG2 PRO 647 1HG PRO 647 4.449 19.748 -23.209 418 HG3 PRO 647 2HG PRO 647 5.851 20.707 -23.784 419 HD2 PRO 647 1HD PRO 647 3.905 19.885 -25.479 420 HD3 PRO 647 2HD PRO 647 5.638 19.912 -25.982 421 H GLU 648 H GLU 648 3.419 18.026 -23.029 422 HA GLU 648 HA GLU 648 2.828 15.346 -22.006 423 HB2 GLU 648 1HB GLU 648 4.573 16.240 -20.416 424 HB3 GLU 648 2HB GLU 648 3.566 17.659 -20.168 425 HG2 GLU 648 1HG GLU 648 1.766 15.886 -19.400 426 HG3 GLU 648 2HG GLU 648 3.184 14.859 -19.167 427 H ILE 649 H ILE 649 0.637 15.213 -21.556 428 HA ILE 649 HA ILE 649 -0.822 17.770 -21.103 429 HB ILE 649 HB ILE 649 -2.273 15.425 -22.340 430 HG12 ILE 649 1HG1 ILE 649 -0.342 15.908 -23.873 431 HG13 ILE 649 2HG1 ILE 649 -1.922 16.176 -24.578 432 HG21 ILE 649 1HG2 ILE 649 -2.721 18.460 -22.531 433 HG22 ILE 649 2HG2 ILE 649 -3.819 17.185 -23.115 434 HG23 ILE 649 3HG2 ILE 649 -3.521 17.394 -21.381 435 HD11 ILE 649 1HD1 ILE 649 -0.419 18.561 -23.432 436 HD12 ILE 649 2HD1 ILE 649 -0.005 17.927 -25.036 437 HD13 ILE 649 3HD1 ILE 649 -1.649 18.515 -24.711 438 H ARG 650 H ARG 650 -1.539 17.813 -19.187 439 HA ARG 650 HA ARG 650 -1.243 15.640 -17.241 440 HB2 ARG 650 1HB ARG 650 -1.725 17.635 -15.734 441 HB3 ARG 650 2HB ARG 650 -0.348 17.829 -16.820 442 HG2 ARG 650 1HG ARG 650 -2.691 18.745 -18.334 443 HG3 ARG 650 2HG ARG 650 -2.899 19.361 -16.698 444 HD2 ARG 650 1HD ARG 650 -1.605 20.893 -18.359 445 HD3 ARG 650 2HD ARG 650 -1.060 20.769 -16.686 446 HE ARG 650 HE ARG 650 0.726 19.233 -17.429 447 HH11 ARG 650 1HH1 ARG 650 -0.761 21.206 -19.971 448 HH12 ARG 650 2HH1 ARG 650 0.649 21.077 -20.987 449 HH21 ARG 650 1HH2 ARG 650 2.439 19.161 -18.723 450 HH22 ARG 650 2HH2 ARG 650 2.439 19.959 -20.287 451 H LEU 651 H LEU 651 -3.155 14.221 -16.991 452 HA LEU 651 HA LEU 651 -5.621 15.856 -16.503 453 HB2 LEU 651 1HB LEU 651 -5.315 13.438 -18.228 454 HB3 LEU 651 2HB LEU 651 -6.873 13.872 -17.533 455 HG LEU 651 HG LEU 651 -6.756 14.743 -19.771 456 HD11 LEU 651 1HD1 LEU 651 -7.776 16.249 -18.006 457 HD12 LEU 651 2HD1 LEU 651 -7.282 17.043 -19.513 458 HD13 LEU 651 3HD1 LEU 651 -6.263 17.210 -18.061 459 HD21 LEU 651 1HD2 LEU 651 -5.121 16.011 -20.811 460 HD22 LEU 651 2HD2 LEU 651 -4.120 14.954 -19.808 461 HD23 LEU 651 3HD2 LEU 651 -4.391 16.683 -19.294 462 HA PRO 652 HA PRO 652 -5.938 13.910 -12.712 463 HB2 PRO 652 1HB PRO 652 -8.484 14.457 -11.980 464 HB3 PRO 652 2HB PRO 652 -7.314 15.792 -12.253 465 HG2 PRO 652 1HG PRO 652 -9.355 14.639 -14.168 466 HG3 PRO 652 2HG PRO 652 -9.133 16.339 -13.675 467 HD2 PRO 652 1HD PRO 652 -8.028 15.370 -15.940 468 HD3 PRO 652 2HD PRO 652 -7.159 16.574 -14.927 469 H SER 653 H SER 653 -6.927 12.163 -11.523 470 HA SER 653 HA SER 653 -7.438 9.820 -12.909 471 HB2 SER 653 1HB SER 653 -6.924 10.135 -10.480 472 HB3 SER 653 2HB SER 653 -8.614 10.605 -10.222 473 HG SER 653 HG SER 653 -7.684 8.224 -10.115 474 H GLY 654 H GLY 654 -9.824 12.299 -12.042 475 HA2 GLY 654 1HA GLY 654 -12.070 10.546 -12.561 476 HA3 GLY 654 2HA GLY 654 -12.132 12.264 -12.188 477 H SER 655 H SER 655 -10.060 11.893 -14.885 478 HA SER 655 HA SER 655 -12.255 12.834 -16.610 479 HB2 SER 655 1HB SER 655 -10.452 13.008 -18.345 480 HB3 SER 655 2HB SER 655 -10.129 13.942 -16.876 481 HG SER 655 HG SER 655 -9.185 11.303 -17.127 482 H ASP 656 H ASP 656 -13.547 11.448 -17.602 483 HA ASP 656 HA ASP 656 -13.099 8.587 -17.712 484 HB2 ASP 656 1HB ASP 656 -15.323 9.616 -17.463 485 HB3 ASP 656 2HB ASP 656 -15.131 10.469 -18.999 486 H HIS 657 H HIS 657 -12.568 11.253 -19.935 487 HA HIS 657 HA HIS 657 -11.038 9.552 -21.726 488 HB2 HIS 657 1HB HIS 657 -12.324 10.261 -23.755 489 HB3 HIS 657 2HB HIS 657 -13.212 9.135 -22.724 490 HD1 HIS 657 HD1 HIS 657 -15.362 10.003 -21.558 491 HD2 HIS 657 HD2 HIS 657 -13.387 12.867 -23.835 492 HE1 HIS 657 HE1 HIS 657 -16.940 11.960 -21.789 493 H VAL 658 H VAL 658 -10.059 11.048 -23.429 494 HA VAL 658 HA VAL 658 -10.012 13.870 -22.474 495 HB VAL 658 HB VAL 658 -8.046 12.691 -21.463 496 HG11 VAL 658 1HG1 VAL 658 -6.255 11.766 -22.794 497 HG12 VAL 658 2HG1 VAL 658 -7.762 10.959 -23.258 498 HG13 VAL 658 3HG1 VAL 658 -7.072 12.216 -24.306 499 HG21 VAL 658 1HG2 VAL 658 -7.238 14.628 -23.668 500 HG22 VAL 658 2HG2 VAL 658 -7.878 15.078 -22.067 501 HG23 VAL 658 3HG2 VAL 658 -6.316 14.245 -22.196 502 H MET 659 H MET 659 -9.883 15.345 -24.122 503 HA MET 659 HA MET 659 -9.817 14.187 -26.872 504 HB2 MET 659 1HB MET 659 -11.995 15.184 -26.196 505 HB3 MET 659 2HB MET 659 -11.180 16.743 -25.982 506 HG2 MET 659 1HG MET 659 -10.638 16.868 -28.311 507 HG3 MET 659 2HG MET 659 -11.069 15.168 -28.554 508 HE1 MET 659 1HE MET 659 -12.496 17.067 -30.695 509 HE2 MET 659 2HE MET 659 -12.386 15.315 -30.398 510 HE3 MET 659 3HE MET 659 -13.981 16.109 -30.554 511 H LEU 660 H LEU 660 -8.039 14.622 -27.929 512 HA LEU 660 HA LEU 660 -6.280 16.805 -26.967 513 HB2 LEU 660 1HB LEU 660 -5.941 14.730 -29.161 514 HB3 LEU 660 2HB LEU 660 -4.713 15.893 -28.666 515 HG LEU 660 HG LEU 660 -5.831 13.665 -26.926 516 HD11 LEU 660 1HD1 LEU 660 -3.166 14.004 -28.352 517 HD12 LEU 660 2HD1 LEU 660 -4.463 12.871 -28.799 518 HD13 LEU 660 3HD1 LEU 660 -3.605 12.673 -27.259 519 HD21 LEU 660 1HD2 LEU 660 -3.590 15.679 -26.428 520 HD22 LEU 660 2HD2 LEU 660 -3.928 14.261 -25.415 521 HD23 LEU 660 3HD2 LEU 660 -5.126 15.556 -25.535 522 H LYS 661 H LYS 661 -5.516 18.420 -28.371 523 HA LYS 661 HA LYS 661 -7.048 18.924 -30.880 524 HB2 LYS 661 1HB LYS 661 -7.228 20.427 -28.358 525 HB3 LYS 661 2HB LYS 661 -6.561 21.429 -29.645 526 HG2 LYS 661 1HG LYS 661 -8.790 21.884 -29.934 527 HG3 LYS 661 2HG LYS 661 -8.639 20.503 -31.026 528 HD2 LYS 661 1HD LYS 661 -9.505 19.013 -29.241 529 HD3 LYS 661 2HD LYS 661 -9.646 20.413 -28.153 530 HE2 LYS 661 1HE LYS 661 -11.185 21.499 -29.762 531 HE3 LYS 661 2HE LYS 661 -11.049 20.104 -30.840 532 HZ1 LYS 661 1HZ LYS 661 -12.032 18.750 -29.037 533 HZ2 LYS 661 2HZ LYS 661 -13.055 19.923 -29.576 534 HZ3 LYS 661 3HZ LYS 661 -12.263 20.110 -28.136 535 H SER 662 H SER 662 -5.719 20.945 -31.893 536 HA SER 662 HA SER 662 -3.724 21.643 -32.794 537 HB2 SER 662 1HB SER 662 -3.422 22.346 -30.346 538 HB3 SER 662 2HB SER 662 -2.372 20.928 -30.177 539 HG SER 662 HG SER 662 -2.039 23.095 -31.999 540 H LEU 663 H LEU 663 -4.382 19.290 -33.717 541 HA LEU 663 HA LEU 663 -1.802 17.882 -34.048 542 HB2 LEU 663 1HB LEU 663 -3.008 15.700 -33.955 543 HB3 LEU 663 2HB LEU 663 -2.909 16.530 -32.417 544 HG LEU 663 HG LEU 663 -5.334 17.323 -32.866 545 HD11 LEU 663 1HD1 LEU 663 -5.746 16.712 -35.120 546 HD12 LEU 663 2HD1 LEU 663 -6.609 15.501 -34.156 547 HD13 LEU 663 3HD1 LEU 663 -5.049 15.102 -34.901 548 HD21 LEU 663 1HD2 LEU 663 -6.157 15.278 -31.828 549 HD22 LEU 663 2HD2 LEU 663 -4.577 15.722 -31.153 550 HD23 LEU 663 3HD2 LEU 663 -4.696 14.401 -32.341 551 H ASP 664 H ASP 664 -1.914 16.575 -36.101 552 HA ASP 664 HA ASP 664 -3.022 18.253 -38.158 553 HB2 ASP 664 1HB ASP 664 -1.747 15.494 -38.238 554 HB3 ASP 664 2HB ASP 664 -2.270 16.380 -39.677 555 H TRP 665 H TRP 665 -4.833 18.071 -39.351 556 HA TRP 665 HA TRP 665 -6.564 15.676 -38.853 557 HB2 TRP 665 1HB TRP 665 -8.429 17.185 -39.570 558 HB3 TRP 665 2HB TRP 665 -7.646 17.640 -38.056 559 HD1 TRP 665 HD1 TRP 665 -6.326 19.940 -37.992 560 HE1 TRP 665 HE1 TRP 665 -6.211 21.977 -39.492 561 HE3 TRP 665 HE3 TRP 665 -8.425 17.848 -42.153 562 HZ2 TRP 665 HZ2 TRP 665 -6.934 22.633 -42.185 563 HZ3 TRP 665 HZ3 TRP 665 -8.699 19.244 -44.194 564 HH2 TRP 665 HH2 TRP 665 -7.961 21.634 -44.200 565 H ASN 666 H ASN 666 -4.624 17.294 -41.114 566 HA ASN 666 HA ASN 666 -6.056 16.014 -43.412 567 HB2 ASN 666 1HB ASN 666 -5.662 18.602 -43.262 568 HB3 ASN 666 2HB ASN 666 -3.979 18.207 -43.622 569 HD21 ASN 666 1HD2 ASN 666 -4.592 18.184 -47.012 570 HD22 ASN 666 2HD2 ASN 666 -3.531 18.514 -45.666 571 H ALA 667 H ALA 667 -3.858 15.131 -41.330 572 HA ALA 667 HA ALA 667 -2.180 13.702 -43.233 573 HB1 ALA 667 1HB ALA 667 -0.042 14.612 -42.382 574 HB2 ALA 667 2HB ALA 667 -1.003 15.924 -43.088 575 HB3 ALA 667 3HB ALA 667 -0.909 15.738 -41.324 576 H GLU 668 H GLU 668 -0.543 12.412 -41.829 577 HA GLU 668 HA GLU 668 -2.149 11.057 -39.817 578 HB2 GLU 668 1HB GLU 668 -0.840 9.972 -41.654 579 HB3 GLU 668 2HB GLU 668 0.644 10.482 -40.858 580 HG2 GLU 668 1HG GLU 668 0.469 8.917 -39.215 581 HG3 GLU 668 2HG GLU 668 -1.306 8.924 -39.246 582 H TYR 669 H TYR 669 -1.639 10.661 -37.666 583 HA TYR 669 HA TYR 669 0.782 11.896 -36.532 584 HB2 TYR 669 1HB TYR 669 -0.440 13.134 -34.833 585 HB3 TYR 669 2HB TYR 669 -0.896 13.692 -36.441 586 HD1 TYR 669 HD1 TYR 669 -3.133 13.283 -37.343 587 HD2 TYR 669 HD2 TYR 669 -2.041 11.970 -33.393 588 HE1 TYR 669 HE1 TYR 669 -5.523 12.990 -36.777 589 HE2 TYR 669 HE2 TYR 669 -4.452 11.676 -32.836 590 HH TYR 669 HH TYR 669 -7.024 12.474 -35.184 591 H GLU 670 H GLU 670 1.125 11.244 -34.287 592 HA GLU 670 HA GLU 670 -0.188 8.621 -33.672 593 HB2 GLU 670 1HB GLU 670 1.992 7.813 -32.905 594 HB3 GLU 670 2HB GLU 670 2.052 8.280 -34.609 595 HG2 GLU 670 1HG GLU 670 3.064 10.480 -33.899 596 HG3 GLU 670 2HG GLU 670 3.161 9.842 -32.251 597 H VAL 671 H VAL 671 -0.523 8.155 -31.494 598 HA VAL 671 HA VAL 671 0.003 10.391 -29.559 599 HB VAL 671 HB VAL 671 -2.559 8.753 -29.828 600 HG11 VAL 671 1HG1 VAL 671 -1.829 11.010 -27.916 601 HG12 VAL 671 2HG1 VAL 671 -3.465 10.341 -28.111 602 HG13 VAL 671 3HG1 VAL 671 -2.162 9.315 -27.493 603 HG21 VAL 671 1HG2 VAL 671 -2.048 11.671 -30.517 604 HG22 VAL 671 2HG2 VAL 671 -2.476 10.364 -31.641 605 HG23 VAL 671 3HG2 VAL 671 -3.653 10.914 -30.437 606 H TYR 672 H TYR 672 0.863 9.721 -27.673 607 HA TYR 672 HA TYR 672 0.616 6.829 -26.897 608 HB2 TYR 672 1HB TYR 672 2.866 8.837 -26.567 609 HB3 TYR 672 2HB TYR 672 2.710 7.432 -25.502 610 HD1 TYR 672 HD1 TYR 672 3.495 5.303 -26.155 611 HD2 TYR 672 HD2 TYR 672 3.037 8.404 -29.086 612 HE1 TYR 672 HE1 TYR 672 4.582 3.839 -27.847 613 HE2 TYR 672 HE2 TYR 672 4.168 6.942 -30.798 614 HH TYR 672 HH TYR 672 5.243 3.624 -30.041 615 H VAL 673 H VAL 673 0.001 6.441 -24.764 616 HA VAL 673 HA VAL 673 -0.427 8.778 -22.993 617 HB VAL 673 HB VAL 673 -2.510 8.743 -24.227 618 HG11 VAL 673 1HG1 VAL 673 -2.438 5.743 -23.850 619 HG12 VAL 673 2HG1 VAL 673 -3.941 6.603 -24.255 620 HG13 VAL 673 3HG1 VAL 673 -2.547 6.677 -25.351 621 HG21 VAL 673 1HG2 VAL 673 -4.150 8.374 -22.511 622 HG22 VAL 673 2HG2 VAL 673 -3.083 7.260 -21.638 623 HG23 VAL 673 3HG2 VAL 673 -2.674 8.983 -21.733 624 H VAL 674 H VAL 674 -0.351 8.249 -20.838 625 HA VAL 674 HA VAL 674 -0.275 5.361 -20.098 626 HB VAL 674 HB VAL 674 1.624 5.812 -18.514 627 HG11 VAL 674 1HG1 VAL 674 2.212 4.731 -20.530 628 HG12 VAL 674 2HG1 VAL 674 2.183 6.244 -21.468 629 HG13 VAL 674 3HG1 VAL 674 3.452 5.957 -20.245 630 HG21 VAL 674 1HG2 VAL 674 1.383 8.260 -18.321 631 HG22 VAL 674 2HG2 VAL 674 3.032 7.803 -18.788 632 HG23 VAL 674 3HG2 VAL 674 1.915 8.448 -20.010 633 H ALA 675 H ALA 675 -0.683 5.028 -17.830 634 HA ALA 675 HA ALA 675 -2.224 7.263 -16.569 635 HB1 ALA 675 1HB ALA 675 -2.367 4.256 -16.100 636 HB2 ALA 675 2HB ALA 675 -3.366 5.497 -15.314 637 HB3 ALA 675 3HB ALA 675 -3.523 5.204 -17.058 638 H GLU 676 H GLU 676 -1.865 7.553 -14.283 639 HA GLU 676 HA GLU 676 0.684 6.392 -13.247 640 HB2 GLU 676 1HB GLU 676 1.173 8.579 -14.298 641 HB3 GLU 676 2HB GLU 676 -0.132 9.327 -13.384 642 HG2 GLU 676 1HG GLU 676 1.871 8.004 -11.685 643 HG3 GLU 676 2HG GLU 676 2.517 9.314 -12.687 644 H ASN 677 H ASN 677 0.600 5.970 -11.049 645 HA ASN 677 HA ASN 677 -1.511 7.378 -9.558 646 HB2 ASN 677 1HB ASN 677 -2.331 5.483 -8.372 647 HB3 ASN 677 2HB ASN 677 -2.450 5.110 -10.091 648 HD21 ASN 677 1HD2 ASN 677 -1.229 2.045 -8.683 649 HD22 ASN 677 2HD2 ASN 677 -2.701 2.982 -8.812 650 H GLN 678 H GLN 678 -0.983 7.037 -7.126 651 HA GLN 678 HA GLN 678 1.631 8.121 -6.803 652 HB2 GLN 678 1HB GLN 678 1.067 8.202 -4.433 653 HB3 GLN 678 2HB GLN 678 -0.259 8.791 -5.453 654 HG2 GLN 678 1HG GLN 678 -1.440 6.646 -5.180 655 HG3 GLN 678 2HG GLN 678 -0.123 6.054 -4.136 656 HE21 GLN 678 1HE2 GLN 678 -1.185 7.849 -1.304 657 HE22 GLN 678 2HE2 GLN 678 0.096 6.915 -2.040 658 H GLN 679 H GLN 679 1.006 4.995 -7.442 659 HA GLN 679 HA GLN 679 3.087 3.889 -5.600 660 HB2 GLN 679 1HB GLN 679 0.614 3.015 -5.842 661 HB3 GLN 679 2HB GLN 679 1.203 2.313 -7.347 662 HG2 GLN 679 1HG GLN 679 1.354 0.652 -5.728 663 HG3 GLN 679 2HG GLN 679 2.984 1.194 -6.053 664 HE21 GLN 679 1HE2 GLN 679 1.314 2.395 -2.484 665 HE22 GLN 679 2HE2 GLN 679 0.351 2.382 -3.939 666 H GLY 680 H GLY 680 2.208 4.426 -9.008 667 HA2 GLY 680 1HA GLY 680 4.827 4.210 -9.994 668 HA3 GLY 680 2HA GLY 680 4.093 2.603 -10.147 669 H LYS 681 H LYS 681 4.468 3.203 -12.559 670 HA LYS 681 HA LYS 681 2.040 4.666 -13.522 671 HB2 LYS 681 1HB LYS 681 4.801 4.771 -14.776 672 HB3 LYS 681 2HB LYS 681 3.323 5.507 -15.419 673 HG2 LYS 681 1HG LYS 681 3.228 6.674 -13.069 674 HG3 LYS 681 2HG LYS 681 4.956 6.306 -13.025 675 HD2 LYS 681 1HD LYS 681 3.522 7.873 -15.210 676 HD3 LYS 681 2HD LYS 681 4.472 8.573 -13.887 677 HE2 LYS 681 1HE LYS 681 6.431 7.179 -14.729 678 HE3 LYS 681 2HE LYS 681 5.460 6.854 -16.180 679 HZ1 LYS 681 1HZ LYS 681 6.884 8.787 -16.490 680 HZ2 LYS 681 2HZ LYS 681 6.225 9.545 -15.182 681 HZ3 LYS 681 3HZ LYS 681 5.303 9.261 -16.517 682 H SER 682 H SER 682 1.350 4.122 -15.664 683 HA SER 682 HA SER 682 1.291 1.203 -15.861 684 HB2 SER 682 1HB SER 682 -0.642 1.520 -17.121 685 HB3 SER 682 2HB SER 682 -0.655 2.940 -16.076 686 HG SER 682 HG SER 682 0.061 2.760 -18.816 687 H LYS 683 H LYS 683 1.175 0.210 -18.055 688 HA LYS 683 HA LYS 683 3.575 0.794 -19.608 689 HB2 LYS 683 1HB LYS 683 2.261 -1.478 -19.285 690 HB3 LYS 683 2HB LYS 683 1.227 -0.846 -20.567 691 HG2 LYS 683 1HG LYS 683 3.283 -0.579 -22.005 692 HG3 LYS 683 2HG LYS 683 4.198 -1.440 -20.755 693 HD2 LYS 683 1HD LYS 683 1.756 -2.555 -22.198 694 HD3 LYS 683 2HD LYS 683 3.434 -2.880 -22.664 695 HE2 LYS 683 1HE LYS 683 3.844 -3.849 -20.387 696 HE3 LYS 683 2HE LYS 683 2.120 -3.629 -20.017 697 HZ1 LYS 683 1HZ LYS 683 1.601 -5.094 -21.879 698 HZ2 LYS 683 2HZ LYS 683 2.578 -5.868 -20.798 699 HZ3 LYS 683 3HZ LYS 683 3.203 -5.301 -22.216 700 H ALA 684 H ALA 684 3.560 1.734 -21.737 701 HA ALA 684 HA ALA 684 1.470 3.712 -22.161 702 HB1 ALA 684 1HB ALA 684 3.807 2.879 -23.941 703 HB2 ALA 684 2HB ALA 684 2.835 4.362 -24.096 704 HB3 ALA 684 3HB ALA 684 3.883 4.132 -22.677 705 H ALA 685 H ALA 685 0.049 3.877 -23.824 706 HA ALA 685 HA ALA 685 -0.247 1.510 -25.637 707 HB1 ALA 685 1HB ALA 685 -2.674 1.872 -25.602 708 HB2 ALA 685 2HB ALA 685 -2.127 1.635 -23.927 709 HB3 ALA 685 3HB ALA 685 -2.489 3.271 -24.525 710 H HIS 686 H HIS 686 -0.699 2.223 -27.813 711 HA HIS 686 HA HIS 686 -0.659 5.119 -28.272 712 HB2 HIS 686 1HB HIS 686 1.178 4.988 -29.841 713 HB3 HIS 686 2HB HIS 686 1.678 4.439 -28.240 714 HD1 HIS 686 HD1 HIS 686 2.049 1.791 -27.954 715 HD2 HIS 686 HD2 HIS 686 1.472 3.141 -31.845 716 HE1 HIS 686 HE1 HIS 686 2.775 -0.079 -29.489 717 H PHE 687 H PHE 687 -1.426 5.809 -30.274 718 HA PHE 687 HA PHE 687 -2.242 3.715 -32.177 719 HB2 PHE 687 1HB PHE 687 -4.514 4.117 -32.194 720 HB3 PHE 687 2HB PHE 687 -4.143 4.166 -30.467 721 HD1 PHE 687 HD1 PHE 687 -3.878 6.469 -29.342 722 HD2 PHE 687 HD2 PHE 687 -5.521 5.937 -33.283 723 HE1 PHE 687 HE1 PHE 687 -5.019 8.687 -29.170 724 HE2 PHE 687 HE2 PHE 687 -6.647 8.133 -33.117 725 HZ PHE 687 HZ PHE 687 -6.423 9.512 -31.058 726 H VAL 688 H VAL 688 -2.866 4.614 -34.257 727 HA VAL 688 HA VAL 688 -1.621 7.288 -34.766 728 HB VAL 688 HB VAL 688 -1.438 4.730 -36.448 729 HG11 VAL 688 1HG1 VAL 688 0.109 6.027 -37.881 730 HG12 VAL 688 2HG1 VAL 688 -1.521 6.716 -37.880 731 HG13 VAL 688 3HG1 VAL 688 -0.231 7.484 -36.922 732 HG21 VAL 688 1HG2 VAL 688 0.045 4.611 -34.497 733 HG22 VAL 688 2HG2 VAL 688 1.012 4.880 -35.959 734 HG23 VAL 688 3HG2 VAL 688 0.685 6.233 -34.853 735 H PHE 689 H PHE 689 -2.772 8.591 -36.243 736 HA PHE 689 HA PHE 689 -5.221 7.455 -37.478 737 HB2 PHE 689 1HB PHE 689 -5.718 8.023 -35.087 738 HB3 PHE 689 2HB PHE 689 -5.286 9.696 -35.428 739 HD1 PHE 689 HD1 PHE 689 -6.776 11.136 -36.735 740 HD2 PHE 689 HD2 PHE 689 -7.792 7.032 -35.964 741 HE1 PHE 689 HE1 PHE 689 -9.118 11.614 -37.373 742 HE2 PHE 689 HE2 PHE 689 -10.152 7.496 -36.625 743 HZ PHE 689 HZ PHE 689 -10.816 9.803 -37.318 744 H ARG 690 H ARG 690 -6.244 8.828 -38.988 745 HA ARG 690 HA ARG 690 -5.347 11.571 -39.451 746 HB2 ARG 690 1HB ARG 690 -5.317 10.563 -42.070 747 HB3 ARG 690 2HB ARG 690 -3.982 11.249 -41.184 748 HG2 ARG 690 1HG ARG 690 -3.134 9.271 -42.038 749 HG3 ARG 690 2HG ARG 690 -3.440 8.917 -40.344 750 HD2 ARG 690 1HD ARG 690 -5.592 7.809 -41.031 751 HD3 ARG 690 2HD ARG 690 -5.110 8.066 -42.729 752 HE ARG 690 HE ARG 690 -2.929 6.892 -41.297 753 HH11 ARG 690 1HH1 ARG 690 -6.116 5.896 -42.489 754 HH12 ARG 690 2HH1 ARG 690 -5.625 4.229 -42.627 755 HH21 ARG 690 1HH2 ARG 690 -2.396 4.830 -41.484 756 HH22 ARG 690 2HH2 ARG 690 -3.526 3.625 -42.063 757 H THR 691 H THR 691 -6.925 12.576 -40.952 758 HA THR 691 HA THR 691 -9.276 10.929 -41.646 759 HB THR 691 HB THR 691 -9.800 11.666 -39.350 760 HG1 THR 691 HG1 THR 691 -11.772 12.564 -39.849 761 HG21 THR 691 1HG2 THR 691 -9.251 14.440 -40.423 762 HG22 THR 691 2HG2 THR 691 -8.478 13.631 -39.048 763 HG23 THR 691 3HG2 THR 691 -10.180 14.133 -38.946 764 H HIS 692 H HIS 692 -10.903 12.928 -42.566 765 HA HIS 692 HA HIS 692 -11.228 14.115 -44.504 766 HB2 HIS 692 1HB HIS 692 -8.752 15.567 -43.527 767 HB3 HIS 692 2HB HIS 692 -9.838 16.144 -44.795 768 HD1 HIS 692 HD1 HIS 692 -12.416 16.608 -43.969 769 HD2 HIS 692 HD2 HIS 692 -9.518 16.249 -41.016 770 HE1 HIS 692 HE1 HIS 692 -13.403 17.587 -41.855 771 H HIS 693 H HIS 693 -9.971 11.680 -44.957 772 HA HIS 693 HA HIS 693 -7.688 11.978 -46.704 773 HB2 HIS 693 1HB HIS 693 -8.102 9.628 -47.253 774 HB3 HIS 693 2HB HIS 693 -8.180 9.880 -45.505 775 HD1 HIS 693 HD1 HIS 693 -10.414 9.309 -44.335 776 HD2 HIS 693 HD2 HIS 693 -10.620 9.138 -48.487 777 HE1 HIS 693 HE1 HIS 693 -12.654 8.287 -44.913 778 H HIS 694 H HIS 694 -11.026 12.594 -47.048 779 HA HIS 694 HA HIS 694 -10.806 12.563 -50.026 780 HB2 HIS 694 1HB HIS 694 -12.486 10.970 -48.972 781 HB3 HIS 694 2HB HIS 694 -13.335 12.390 -48.349 782 HD1 HIS 694 HD1 HIS 694 -12.379 10.770 -51.677 783 HD2 HIS 694 HD2 HIS 694 -15.004 13.607 -50.140 784 HE1 HIS 694 HE1 HIS 694 -13.963 11.390 -53.548 785 H HIS 695 H HIS 695 -11.562 14.428 -51.082 786 HA HIS 695 HA HIS 695 -12.301 16.771 -49.393 787 HB2 HIS 695 1HB HIS 695 -10.125 16.778 -51.536 788 HB3 HIS 695 2HB HIS 695 -10.674 18.169 -50.597 789 HD1 HIS 695 HD1 HIS 695 -8.436 15.147 -50.410 790 HD2 HIS 695 HD2 HIS 695 -9.727 18.222 -47.892 791 HE1 HIS 695 HE1 HIS 695 -6.941 15.088 -48.354 792 H HIS 696 H HIS 696 -13.064 18.548 -50.999 793 HA HIS 696 HA HIS 696 -14.961 17.416 -52.834 794 HB2 HIS 696 1HB HIS 696 -13.848 20.247 -52.656 795 HB3 HIS 696 2HB HIS 696 -15.296 19.766 -53.552 796 HD1 HIS 696 HD1 HIS 696 -15.540 21.893 -51.324 797 HD2 HIS 696 HD2 HIS 696 -16.096 17.816 -50.708 798 HE1 HIS 696 HE1 HIS 696 -16.955 21.656 -49.244 799 H HIS 697 H HIS 697 -14.940 17.470 -55.135 800 HA HIS 697 HA HIS 697 -12.466 18.141 -56.566 801 HB2 HIS 697 1HB HIS 697 -12.269 15.721 -55.629 802 HB3 HIS 697 2HB HIS 697 -13.632 15.328 -56.684 803 HD1 HIS 697 HD1 HIS 697 -12.709 16.944 -59.218 804 HD2 HIS 697 HD2 HIS 697 -10.263 14.460 -56.961 805 HE1 HIS 697 HE1 HIS 697 -10.829 16.218 -60.731 Start of MODEL 4 1 H1 MET 595 1H MET 595 0.940 2.943 -1.726 2 H2 MET 595 2H MET 595 0.307 1.439 -1.956 3 H3 MET 595 3H MET 595 1.408 1.693 -0.751 4 HA MET 595 HA MET 595 1.911 1.955 -3.610 5 HB2 MET 595 1HB MET 595 3.231 3.460 -2.177 6 HB3 MET 595 2HB MET 595 3.932 2.052 -1.379 7 HG2 MET 595 1HG MET 595 4.854 1.308 -3.557 8 HG3 MET 595 2HG MET 595 4.122 2.723 -4.332 9 HE1 MET 595 1HE MET 595 7.055 2.365 -4.957 10 HE2 MET 595 2HE MET 595 6.151 3.845 -5.357 11 HE3 MET 595 3HE MET 595 7.736 3.958 -4.555 12 H GLN 596 H GLN 596 3.894 0.148 -1.237 13 HA GLN 596 HA GLN 596 4.423 -1.908 -2.961 14 HB2 GLN 596 1HB GLN 596 4.229 -1.991 0.052 15 HB3 GLN 596 2HB GLN 596 4.971 -3.262 -0.928 16 HG2 GLN 596 1HG GLN 596 6.643 -1.707 -1.773 17 HG3 GLN 596 2HG GLN 596 5.874 -0.359 -0.918 18 HE21 GLN 596 1HE2 GLN 596 8.647 -2.475 0.956 19 HE22 GLN 596 2HE2 GLN 596 8.391 -2.479 -0.772 20 HA PRO 597 HA PRO 597 1.109 -4.893 -1.652 21 HB2 PRO 597 1HB PRO 597 -1.243 -4.171 -0.532 22 HB3 PRO 597 2HB PRO 597 0.237 -4.370 0.460 23 HG2 PRO 597 1HG PRO 597 -0.916 -1.846 -0.713 24 HG3 PRO 597 2HG PRO 597 -0.481 -2.194 0.991 25 HD2 PRO 597 1HD PRO 597 1.195 -0.901 -0.676 26 HD3 PRO 597 2HD PRO 597 1.806 -2.060 0.552 27 H VAL 598 H VAL 598 0.900 -2.287 -3.629 28 HA VAL 598 HA VAL 598 -1.656 -3.170 -4.913 29 HB VAL 598 HB VAL 598 -0.398 -0.403 -4.709 30 HG11 VAL 598 1HG1 VAL 598 -2.562 0.299 -5.900 31 HG12 VAL 598 2HG1 VAL 598 -1.277 -0.432 -6.880 32 HG13 VAL 598 3HG1 VAL 598 -2.672 -1.404 -6.403 33 HG21 VAL 598 1HG2 VAL 598 -3.021 -1.522 -3.646 34 HG22 VAL 598 2HG2 VAL 598 -1.600 -1.060 -2.689 35 HG23 VAL 598 3HG2 VAL 598 -2.517 0.182 -3.554 36 H ARG 599 H ARG 599 -1.645 -3.621 -7.046 37 HA ARG 599 HA ARG 599 0.917 -3.970 -8.380 38 HB2 ARG 599 1HB ARG 599 -0.408 -4.882 -10.222 39 HB3 ARG 599 2HB ARG 599 -0.918 -5.588 -8.687 40 HG2 ARG 599 1HG ARG 599 -2.924 -4.242 -8.640 41 HG3 ARG 599 2HG ARG 599 -2.388 -3.281 -10.029 42 HD2 ARG 599 1HD ARG 599 -2.803 -6.275 -10.220 43 HD3 ARG 599 2HD ARG 599 -4.128 -5.128 -10.468 44 HE ARG 599 HE ARG 599 -1.782 -5.537 -12.218 45 HH11 ARG 599 1HH1 ARG 599 -4.748 -3.693 -11.649 46 HH12 ARG 599 2HH1 ARG 599 -4.751 -3.025 -13.255 47 HH21 ARG 599 1HH2 ARG 599 -1.884 -4.663 -14.259 48 HH22 ARG 599 2HH2 ARG 599 -3.202 -3.612 -14.712 49 H GLU 600 H GLU 600 1.310 -3.255 -10.584 50 HA GLU 600 HA GLU 600 1.103 -0.395 -10.838 51 HB2 GLU 600 1HB GLU 600 2.003 -2.569 -12.781 52 HB3 GLU 600 2HB GLU 600 2.110 -0.835 -13.119 53 HG2 GLU 600 1HG GLU 600 3.463 -2.053 -10.727 54 HG3 GLU 600 2HG GLU 600 4.215 -1.990 -12.333 55 HA PRO 601 HA PRO 601 -2.716 -0.366 -13.025 56 HB2 PRO 601 1HB PRO 601 -2.545 1.913 -14.556 57 HB3 PRO 601 2HB PRO 601 -2.681 1.954 -12.780 58 HG2 PRO 601 1HG PRO 601 -0.268 2.257 -14.482 59 HG3 PRO 601 2HG PRO 601 -0.763 3.198 -13.058 60 HD2 PRO 601 1HD PRO 601 1.096 1.179 -13.028 61 HD3 PRO 601 2HD PRO 601 0.095 1.625 -11.611 62 H SER 602 H SER 602 -3.741 -0.560 -15.065 63 HA SER 602 HA SER 602 -2.166 -2.033 -17.045 64 HB2 SER 602 1HB SER 602 -5.113 -1.276 -17.056 65 HB3 SER 602 2HB SER 602 -4.330 -2.532 -18.038 66 HG SER 602 HG SER 602 -4.924 -2.463 -15.284 67 H ALA 603 H ALA 603 -2.203 -1.505 -19.309 68 HA ALA 603 HA ALA 603 -1.615 1.165 -19.925 69 HB1 ALA 603 1HB ALA 603 -1.784 0.485 -22.267 70 HB2 ALA 603 2HB ALA 603 -1.077 -0.861 -21.351 71 HB3 ALA 603 3HB ALA 603 -2.791 -0.918 -21.833 72 HA PRO 604 HA PRO 604 -5.616 3.009 -19.898 73 HB2 PRO 604 1HB PRO 604 -5.317 5.056 -21.718 74 HB3 PRO 604 2HB PRO 604 -4.604 5.090 -20.074 75 HG2 PRO 604 1HG PRO 604 -3.350 4.302 -22.653 76 HG3 PRO 604 2HG PRO 604 -2.742 5.405 -21.390 77 HD2 PRO 604 1HD PRO 604 -1.885 2.892 -21.576 78 HD3 PRO 604 2HD PRO 604 -2.162 3.662 -19.975 79 H LYS 605 H LYS 605 -7.543 3.163 -21.105 80 HA LYS 605 HA LYS 605 -7.677 1.112 -23.196 81 HB2 LYS 605 1HB LYS 605 -9.569 2.747 -21.543 82 HB3 LYS 605 2HB LYS 605 -10.171 2.134 -23.080 83 HG2 LYS 605 1HG LYS 605 -10.691 0.646 -21.107 84 HG3 LYS 605 2HG LYS 605 -9.859 -0.151 -22.439 85 HD2 LYS 605 1HD LYS 605 -8.906 -0.996 -20.396 86 HD3 LYS 605 2HD LYS 605 -7.687 0.019 -21.160 87 HE2 LYS 605 1HE LYS 605 -8.369 1.894 -19.594 88 HE3 LYS 605 2HE LYS 605 -9.442 0.743 -18.773 89 HZ1 LYS 605 1HZ LYS 605 -7.242 0.913 -17.689 90 HZ2 LYS 605 2HZ LYS 605 -6.488 0.408 -19.071 91 HZ3 LYS 605 3HZ LYS 605 -7.496 -0.614 -18.253 92 H LEU 606 H LEU 606 -8.451 1.501 -25.380 93 HA LEU 606 HA LEU 606 -8.332 4.329 -26.247 94 HB2 LEU 606 1HB LEU 606 -6.035 3.402 -26.411 95 HB3 LEU 606 2HB LEU 606 -6.631 2.095 -27.415 96 HG LEU 606 HG LEU 606 -5.361 4.037 -28.503 97 HD11 LEU 606 1HD1 LEU 606 -8.052 3.279 -29.702 98 HD12 LEU 606 2HD1 LEU 606 -6.553 2.339 -29.819 99 HD13 LEU 606 3HD1 LEU 606 -6.657 3.942 -30.573 100 HD21 LEU 606 1HD2 LEU 606 -6.694 5.971 -29.194 101 HD22 LEU 606 2HD2 LEU 606 -6.532 5.882 -27.431 102 HD23 LEU 606 3HD2 LEU 606 -8.053 5.409 -28.221 103 H GLU 607 H GLU 607 -10.154 4.643 -27.297 104 HA GLU 607 HA GLU 607 -11.307 2.346 -28.802 105 HB2 GLU 607 1HB GLU 607 -12.819 4.788 -27.884 106 HB3 GLU 607 2HB GLU 607 -13.462 3.230 -28.411 107 HG2 GLU 607 1HG GLU 607 -12.034 3.893 -25.822 108 HG3 GLU 607 2HG GLU 607 -13.705 3.365 -26.020 109 H GLY 608 H GLY 608 -9.669 5.241 -29.292 110 HA2 GLY 608 1HA GLY 608 -9.210 6.439 -31.202 111 HA3 GLY 608 2HA GLY 608 -9.751 5.005 -32.072 112 H GLN 609 H GLN 609 -11.724 7.237 -30.076 113 HA GLN 609 HA GLN 609 -13.716 7.241 -32.213 114 HB2 GLN 609 1HB GLN 609 -13.565 8.660 -29.545 115 HB3 GLN 609 2HB GLN 609 -14.979 8.676 -30.609 116 HG2 GLN 609 1HG GLN 609 -13.749 6.184 -29.372 117 HG3 GLN 609 2HG GLN 609 -15.189 7.017 -28.769 118 HE21 GLN 609 1HE2 GLN 609 -15.555 4.230 -31.565 119 HE22 GLN 609 2HE2 GLN 609 -14.129 4.472 -30.579 120 H MET 610 H MET 610 -13.761 8.602 -33.839 121 HA MET 610 HA MET 610 -11.822 10.587 -34.286 122 HB2 MET 610 1HB MET 610 -14.592 10.416 -35.518 123 HB3 MET 610 2HB MET 610 -13.166 11.203 -36.211 124 HG2 MET 610 1HG MET 610 -12.043 8.950 -36.247 125 HG3 MET 610 2HG MET 610 -13.581 8.232 -35.745 126 HE1 MET 610 1HE MET 610 -13.550 7.171 -39.497 127 HE2 MET 610 2HE MET 610 -12.181 7.192 -38.361 128 HE3 MET 610 3HE MET 610 -13.784 6.645 -37.813 129 H GLY 611 H GLY 611 -11.787 12.832 -34.253 130 HA2 GLY 611 1HA GLY 611 -13.558 14.041 -32.254 131 HA3 GLY 611 2HA GLY 611 -12.159 14.792 -33.031 132 H GLU 612 H GLU 612 -15.450 14.834 -32.755 133 HA GLU 612 HA GLU 612 -16.244 15.405 -35.472 134 HB2 GLU 612 1HB GLU 612 -18.337 16.165 -34.450 135 HB3 GLU 612 2HB GLU 612 -17.839 14.596 -33.823 136 HG2 GLU 612 1HG GLU 612 -17.177 17.110 -32.268 137 HG3 GLU 612 2HG GLU 612 -18.799 16.418 -32.203 138 H ASP 613 H ASP 613 -14.771 17.298 -32.958 139 HA ASP 613 HA ASP 613 -15.591 19.910 -33.886 140 HB2 ASP 613 1HB ASP 613 -13.184 18.960 -32.285 141 HB3 ASP 613 2HB ASP 613 -13.555 20.657 -32.572 142 H GLY 614 H GLY 614 -13.315 17.550 -35.009 143 HA2 GLY 614 1HA GLY 614 -11.849 17.646 -36.829 144 HA3 GLY 614 2HA GLY 614 -12.289 19.354 -37.079 145 H ASN 615 H ASN 615 -9.561 18.346 -37.096 146 HA ASN 615 HA ASN 615 -7.479 18.789 -36.186 147 HB2 ASN 615 1HB ASN 615 -8.763 21.109 -36.435 148 HB3 ASN 615 2HB ASN 615 -8.674 21.118 -34.671 149 HD21 ASN 615 1HD2 ASN 615 -5.115 21.472 -34.646 150 HD22 ASN 615 2HD2 ASN 615 -6.443 20.690 -33.801 151 H SER 616 H SER 616 -9.322 16.993 -34.733 152 HA SER 616 HA SER 616 -8.129 16.978 -32.052 153 HB2 SER 616 1HB SER 616 -10.339 17.186 -30.967 154 HB3 SER 616 2HB SER 616 -9.932 18.643 -31.896 155 HG SER 616 HG SER 616 -11.403 18.192 -33.353 156 H ILE 617 H ILE 617 -9.024 15.170 -30.681 157 HA ILE 617 HA ILE 617 -10.702 13.152 -31.936 158 HB ILE 617 HB ILE 617 -8.455 12.746 -32.992 159 HG12 ILE 617 1HG1 ILE 617 -9.085 10.321 -31.365 160 HG13 ILE 617 2HG1 ILE 617 -10.391 11.054 -32.296 161 HG21 ILE 617 1HG2 ILE 617 -7.041 13.272 -30.987 162 HG22 ILE 617 2HG2 ILE 617 -7.625 11.789 -30.209 163 HG23 ILE 617 3HG2 ILE 617 -6.656 11.693 -31.694 164 HD11 ILE 617 1HD1 ILE 617 -9.302 9.239 -33.523 165 HD12 ILE 617 2HD1 ILE 617 -9.134 10.799 -34.357 166 HD13 ILE 617 3HD1 ILE 617 -7.761 10.121 -33.455 167 H LYS 618 H LYS 618 -11.269 11.371 -30.449 168 HA LYS 618 HA LYS 618 -10.693 12.113 -27.598 169 HB2 LYS 618 1HB LYS 618 -12.989 10.429 -28.637 170 HB3 LYS 618 2HB LYS 618 -12.769 11.043 -27.004 171 HG2 LYS 618 1HG LYS 618 -14.154 12.690 -27.637 172 HG3 LYS 618 2HG LYS 618 -12.750 13.352 -28.486 173 HD2 LYS 618 1HD LYS 618 -14.062 13.245 -30.333 174 HD3 LYS 618 2HD LYS 618 -13.642 11.547 -30.327 175 HE2 LYS 618 1HE LYS 618 -16.003 11.671 -30.589 176 HE3 LYS 618 2HE LYS 618 -15.686 11.077 -28.947 177 HZ1 LYS 618 1HZ LYS 618 -16.081 13.339 -28.148 178 HZ2 LYS 618 2HZ LYS 618 -17.395 12.787 -28.986 179 HZ3 LYS 618 3HZ LYS 618 -16.376 13.865 -29.690 180 H VAL 619 H VAL 619 -9.254 10.843 -26.652 181 HA VAL 619 HA VAL 619 -9.190 7.943 -27.430 182 HB VAL 619 HB VAL 619 -6.988 8.222 -27.789 183 HG11 VAL 619 1HG1 VAL 619 -7.167 10.995 -26.542 184 HG12 VAL 619 2HG1 VAL 619 -5.746 10.341 -27.373 185 HG13 VAL 619 3HG1 VAL 619 -7.253 10.582 -28.271 186 HG21 VAL 619 1HG2 VAL 619 -5.445 8.384 -25.897 187 HG22 VAL 619 2HG2 VAL 619 -6.760 8.954 -24.847 188 HG23 VAL 619 3HG2 VAL 619 -6.804 7.306 -25.517 189 H ASN 620 H ASN 620 -9.341 6.471 -25.627 190 HA ASN 620 HA ASN 620 -10.878 7.685 -23.467 191 HB2 ASN 620 1HB ASN 620 -10.394 4.927 -24.456 192 HB3 ASN 620 2HB ASN 620 -10.724 5.109 -22.730 193 HD21 ASN 620 1HD2 ASN 620 -13.651 6.514 -25.238 194 HD22 ASN 620 2HD2 ASN 620 -11.971 6.792 -25.634 195 H LEU 621 H LEU 621 -10.570 7.370 -21.257 196 HA LEU 621 HA LEU 621 -7.723 6.992 -20.486 197 HB2 LEU 621 1HB LEU 621 -8.878 9.401 -20.586 198 HB3 LEU 621 2HB LEU 621 -9.444 8.892 -19.010 199 HG LEU 621 HG LEU 621 -7.051 8.474 -18.354 200 HD11 LEU 621 1HD1 LEU 621 -5.284 9.551 -19.665 201 HD12 LEU 621 2HD1 LEU 621 -6.459 10.051 -20.899 202 HD13 LEU 621 3HD1 LEU 621 -6.092 8.331 -20.667 203 HD21 LEU 621 1HD2 LEU 621 -8.020 11.223 -19.219 204 HD22 LEU 621 2HD2 LEU 621 -6.615 10.957 -18.169 205 HD23 LEU 621 3HD2 LEU 621 -8.220 10.435 -17.631 206 H ILE 622 H ILE 622 -7.388 6.125 -18.356 207 HA ILE 622 HA ILE 622 -9.391 4.248 -17.457 208 HB ILE 622 HB ILE 622 -6.946 5.420 -16.024 209 HG12 ILE 622 1HG1 ILE 622 -6.664 2.657 -16.634 210 HG13 ILE 622 2HG1 ILE 622 -7.146 3.485 -18.125 211 HG21 ILE 622 1HG2 ILE 622 -8.496 4.522 -14.375 212 HG22 ILE 622 2HG2 ILE 622 -8.624 3.002 -15.293 213 HG23 ILE 622 3HG2 ILE 622 -7.096 3.452 -14.526 214 HD11 ILE 622 1HD1 ILE 622 -5.276 5.033 -17.853 215 HD12 ILE 622 2HD1 ILE 622 -4.836 4.232 -16.322 216 HD13 ILE 622 3HD1 ILE 622 -4.710 3.340 -17.851 217 H LYS 623 H LYS 623 -11.140 4.680 -16.109 218 HA LYS 623 HA LYS 623 -11.163 7.329 -14.762 219 HB2 LYS 623 1HB LYS 623 -13.564 7.490 -15.168 220 HB3 LYS 623 2HB LYS 623 -12.608 7.417 -16.635 221 HG2 LYS 623 1HG LYS 623 -14.249 6.015 -17.273 222 HG3 LYS 623 2HG LYS 623 -13.208 4.817 -16.517 223 HD2 LYS 623 1HD LYS 623 -14.523 4.846 -14.506 224 HD3 LYS 623 2HD LYS 623 -15.491 6.220 -15.100 225 HE2 LYS 623 1HE LYS 623 -15.242 3.772 -16.783 226 HE3 LYS 623 2HE LYS 623 -16.329 3.720 -15.368 227 HZ1 LYS 623 1HZ LYS 623 -17.506 5.604 -16.233 228 HZ2 LYS 623 2HZ LYS 623 -17.419 4.490 -17.446 229 HZ3 LYS 623 3HZ LYS 623 -16.439 5.822 -17.465 230 H GLN 624 H GLN 624 -10.661 4.381 -13.867 231 HA GLN 624 HA GLN 624 -12.083 4.682 -11.301 232 HB2 GLN 624 1HB GLN 624 -13.052 2.466 -11.361 233 HB3 GLN 624 2HB GLN 624 -13.657 3.373 -12.747 234 HG2 GLN 624 1HG GLN 624 -11.347 1.396 -12.944 235 HG3 GLN 624 2HG GLN 624 -13.033 0.928 -13.153 236 HE21 GLN 624 1HE2 GLN 624 -10.981 2.427 -16.239 237 HE22 GLN 624 2HE2 GLN 624 -10.260 2.012 -14.693 238 H ASP 625 H ASP 625 -11.244 2.872 -9.778 239 HA ASP 625 HA ASP 625 -8.425 2.851 -9.728 240 HB2 ASP 625 1HB ASP 625 -10.487 1.004 -8.479 241 HB3 ASP 625 2HB ASP 625 -8.746 0.810 -8.215 242 H ASP 626 H ASP 626 -6.899 1.618 -10.652 243 HA ASP 626 HA ASP 626 -7.779 -0.139 -12.835 244 HB2 ASP 626 1HB ASP 626 -5.764 1.562 -12.656 245 HB3 ASP 626 2HB ASP 626 -4.923 0.193 -11.995 246 H GLY 627 H GLY 627 -5.997 -0.334 -9.834 247 HA2 GLY 627 1HA GLY 627 -6.070 -3.299 -10.014 248 HA3 GLY 627 2HA GLY 627 -4.563 -2.451 -9.632 249 H GLY 628 H GLY 628 -4.342 -1.308 -7.793 250 HA2 GLY 628 1HA GLY 628 -6.156 -2.226 -5.597 251 HA3 GLY 628 2HA GLY 628 -4.458 -1.825 -5.400 252 H SER 629 H SER 629 -5.144 0.638 -7.251 253 HA SER 629 HA SER 629 -6.586 2.320 -5.313 254 HB2 SER 629 1HB SER 629 -3.648 2.766 -6.026 255 HB3 SER 629 2HB SER 629 -4.651 3.828 -5.020 256 HG SER 629 HG SER 629 -4.931 1.534 -3.904 257 HA PRO 630 HA PRO 630 -7.276 4.433 -9.133 258 HB2 PRO 630 1HB PRO 630 -7.517 7.064 -8.492 259 HB3 PRO 630 2HB PRO 630 -8.730 5.853 -7.965 260 HG2 PRO 630 1HG PRO 630 -6.382 6.953 -6.450 261 HG3 PRO 630 2HG PRO 630 -8.104 6.866 -5.955 262 HD2 PRO 630 1HD PRO 630 -6.321 5.001 -5.178 263 HD3 PRO 630 2HD PRO 630 -8.006 4.552 -5.605 264 H ILE 631 H ILE 631 -6.429 6.176 -10.577 265 HA ILE 631 HA ILE 631 -3.516 6.090 -10.614 266 HB ILE 631 HB ILE 631 -5.725 7.043 -12.444 267 HG12 ILE 631 1HG1 ILE 631 -4.524 5.656 -14.111 268 HG13 ILE 631 2HG1 ILE 631 -3.241 5.336 -12.933 269 HG21 ILE 631 1HG2 ILE 631 -2.814 7.849 -12.661 270 HG22 ILE 631 2HG2 ILE 631 -3.925 7.907 -14.009 271 HG23 ILE 631 3HG2 ILE 631 -4.233 8.916 -12.598 272 HD11 ILE 631 1HD1 ILE 631 -6.114 4.479 -12.583 273 HD12 ILE 631 2HD1 ILE 631 -4.847 3.490 -13.342 274 HD13 ILE 631 3HD1 ILE 631 -4.694 3.963 -11.636 275 H ARG 632 H ARG 632 -2.123 7.911 -10.315 276 HA ARG 632 HA ARG 632 -3.294 10.080 -8.688 277 HB2 ARG 632 1HB ARG 632 -0.475 9.307 -9.495 278 HB3 ARG 632 2HB ARG 632 -0.825 10.887 -8.814 279 HG2 ARG 632 1HG ARG 632 -1.709 9.780 -6.720 280 HG3 ARG 632 2HG ARG 632 -1.218 8.180 -7.339 281 HD2 ARG 632 1HD ARG 632 0.549 8.905 -5.948 282 HD3 ARG 632 2HD ARG 632 1.124 9.126 -7.605 283 HE ARG 632 HE ARG 632 0.203 11.311 -5.782 284 HH11 ARG 632 1HH1 ARG 632 2.165 10.309 -8.573 285 HH12 ARG 632 2HH1 ARG 632 2.984 11.847 -8.631 286 HH21 ARG 632 1HH2 ARG 632 1.278 13.233 -5.964 287 HH22 ARG 632 2HH2 ARG 632 2.483 13.467 -7.201 288 H HIS 633 H HIS 633 -1.427 9.777 -11.792 289 HA HIS 633 HA HIS 633 -2.898 12.167 -12.819 290 HB2 HIS 633 1HB HIS 633 0.113 11.837 -13.074 291 HB3 HIS 633 2HB HIS 633 -0.864 13.199 -13.633 292 HD1 HIS 633 HD1 HIS 633 1.313 12.297 -10.945 293 HD2 HIS 633 HD2 HIS 633 -2.211 14.480 -11.235 294 HE1 HIS 633 HE1 HIS 633 1.212 13.784 -8.919 295 H TYR 634 H TYR 634 -2.610 12.487 -15.180 296 HA TYR 634 HA TYR 634 -1.794 9.990 -16.625 297 HB2 TYR 634 1HB TYR 634 -4.034 11.928 -17.290 298 HB3 TYR 634 2HB TYR 634 -3.470 10.627 -18.348 299 HD1 TYR 634 HD1 TYR 634 -5.687 11.504 -15.645 300 HD2 TYR 634 HD2 TYR 634 -3.585 8.212 -17.464 301 HE1 TYR 634 HE1 TYR 634 -7.166 9.876 -14.486 302 HE2 TYR 634 HE2 TYR 634 -5.084 6.623 -16.271 303 HH TYR 634 HH TYR 634 -7.748 7.744 -14.171 304 H LEU 635 H LEU 635 -0.626 10.268 -18.487 305 HA LEU 635 HA LEU 635 0.122 13.080 -19.180 306 HB2 LEU 635 1HB LEU 635 1.993 10.694 -19.096 307 HB3 LEU 635 2HB LEU 635 2.406 12.319 -19.595 308 HG LEU 635 HG LEU 635 1.654 12.883 -17.083 309 HD11 LEU 635 1HD1 LEU 635 2.705 10.018 -16.892 310 HD12 LEU 635 2HD1 LEU 635 1.068 10.556 -16.454 311 HD13 LEU 635 3HD1 LEU 635 2.462 11.132 -15.527 312 HD21 LEU 635 1HD2 LEU 635 4.041 12.749 -16.492 313 HD22 LEU 635 2HD2 LEU 635 3.826 13.378 -18.132 314 HD23 LEU 635 3HD2 LEU 635 4.338 11.689 -17.893 315 H VAL 636 H VAL 636 -0.000 13.479 -21.350 316 HA VAL 636 HA VAL 636 -0.253 11.129 -23.176 317 HB VAL 636 HB VAL 636 -1.685 13.790 -23.575 318 HG11 VAL 636 1HG1 VAL 636 -1.890 11.064 -24.912 319 HG12 VAL 636 2HG1 VAL 636 -3.045 12.383 -25.179 320 HG13 VAL 636 3HG1 VAL 636 -1.344 12.591 -25.644 321 HG21 VAL 636 1HG2 VAL 636 -2.790 11.225 -22.370 322 HG22 VAL 636 2HG2 VAL 636 -2.670 12.809 -21.576 323 HG23 VAL 636 3HG2 VAL 636 -3.787 12.580 -22.932 324 H ARG 637 H ARG 637 1.166 11.139 -24.831 325 HA ARG 637 HA ARG 637 2.655 13.686 -25.392 326 HB2 ARG 637 1HB ARG 637 3.926 11.932 -24.048 327 HB3 ARG 637 2HB ARG 637 3.740 10.844 -25.423 328 HG2 ARG 637 1HG ARG 637 4.884 12.789 -26.765 329 HG3 ARG 637 2HG ARG 637 5.401 13.342 -25.171 330 HD2 ARG 637 1HD ARG 637 7.151 11.970 -26.064 331 HD3 ARG 637 2HD ARG 637 6.358 11.042 -24.773 332 HE ARG 637 HE ARG 637 5.089 10.394 -27.223 333 HH11 ARG 637 1HH1 ARG 637 8.263 9.940 -25.755 334 HH12 ARG 637 2HH1 ARG 637 8.571 8.477 -26.653 335 HH21 ARG 637 1HH2 ARG 637 5.544 8.516 -28.323 336 HH22 ARG 637 2HH2 ARG 637 7.052 7.682 -28.070 337 H TYR 638 H TYR 638 2.075 14.292 -27.459 338 HA TYR 638 HA TYR 638 1.745 12.096 -29.451 339 HB2 TYR 638 1HB TYR 638 -0.206 13.168 -30.404 340 HB3 TYR 638 2HB TYR 638 -0.489 12.725 -28.719 341 HD1 TYR 638 HD1 TYR 638 -0.833 15.287 -31.153 342 HD2 TYR 638 HD2 TYR 638 -0.121 14.706 -26.942 343 HE1 TYR 638 HE1 TYR 638 -1.626 17.610 -30.684 344 HE2 TYR 638 HE2 TYR 638 -0.868 17.031 -26.501 345 HH TYR 638 HH TYR 638 -1.790 18.936 -27.381 346 H ARG 639 H ARG 639 2.126 12.585 -31.600 347 HA ARG 639 HA ARG 639 3.613 15.151 -32.142 348 HB2 ARG 639 1HB ARG 639 5.227 13.339 -31.643 349 HB3 ARG 639 2HB ARG 639 4.437 12.285 -32.784 350 HG2 ARG 639 1HG ARG 639 5.076 14.136 -34.514 351 HG3 ARG 639 2HG ARG 639 6.232 14.613 -33.273 352 HD2 ARG 639 1HD ARG 639 7.068 12.237 -33.278 353 HD3 ARG 639 2HD ARG 639 5.972 11.911 -34.637 354 HE ARG 639 HE ARG 639 7.322 13.195 -36.048 355 HH11 ARG 639 1HH1 ARG 639 8.492 13.466 -32.743 356 HH12 ARG 639 2HH1 ARG 639 9.925 14.360 -33.216 357 HH21 ARG 639 1HH2 ARG 639 9.217 14.299 -36.579 358 HH22 ARG 639 2HH2 ARG 639 10.325 14.789 -35.315 359 H ALA 640 H ALA 640 3.471 15.718 -34.401 360 HA ALA 640 HA ALA 640 1.549 14.063 -35.982 361 HB1 ALA 640 1HB ALA 640 1.490 17.102 -35.873 362 HB2 ALA 640 2HB ALA 640 0.331 16.003 -36.649 363 HB3 ALA 640 3HB ALA 640 0.425 16.074 -34.880 364 H LEU 641 H LEU 641 1.685 14.767 -38.380 365 HA LEU 641 HA LEU 641 4.402 14.586 -39.213 366 HB2 LEU 641 1HB LEU 641 1.783 14.742 -40.410 367 HB3 LEU 641 2HB LEU 641 2.859 15.857 -41.249 368 HG LEU 641 HG LEU 641 4.440 14.016 -41.699 369 HD11 LEU 641 1HD1 LEU 641 2.343 12.249 -40.359 370 HD12 LEU 641 2HD1 LEU 641 4.017 12.499 -39.829 371 HD13 LEU 641 3HD1 LEU 641 3.691 11.647 -41.347 372 HD21 LEU 641 1HD2 LEU 641 2.654 14.596 -43.308 373 HD22 LEU 641 2HD2 LEU 641 1.580 13.402 -42.541 374 HD23 LEU 641 3HD2 LEU 641 3.059 12.869 -43.371 375 H SER 642 H SER 642 2.277 17.365 -38.644 376 HA SER 642 HA SER 642 4.436 19.223 -39.483 377 HB2 SER 642 1HB SER 642 1.691 19.965 -38.462 378 HB3 SER 642 2HB SER 642 2.763 20.886 -39.538 379 HG SER 642 HG SER 642 1.222 18.567 -40.067 380 H SER 643 H SER 643 3.878 17.622 -36.618 381 HA SER 643 HA SER 643 4.966 19.937 -35.089 382 HB2 SER 643 1HB SER 643 2.492 18.378 -34.257 383 HB3 SER 643 2HB SER 643 3.373 19.526 -33.231 384 HG SER 643 HG SER 643 2.740 20.527 -35.704 385 H GLU 644 H GLU 644 6.380 19.460 -33.547 386 HA GLU 644 HA GLU 644 7.407 16.785 -33.238 387 HB2 GLU 644 1HB GLU 644 8.018 19.505 -32.306 388 HB3 GLU 644 2HB GLU 644 8.316 18.292 -31.063 389 HG2 GLU 644 1HG GLU 644 9.474 18.267 -33.872 390 HG3 GLU 644 2HG GLU 644 10.330 18.771 -32.406 391 H TRP 645 H TRP 645 7.740 15.849 -30.978 392 HA TRP 645 HA TRP 645 5.275 15.062 -29.866 393 HB2 TRP 645 1HB TRP 645 8.069 15.129 -28.675 394 HB3 TRP 645 2HB TRP 645 6.691 14.349 -27.893 395 HD1 TRP 645 HD1 TRP 645 9.389 13.691 -30.364 396 HE1 TRP 645 HE1 TRP 645 9.154 11.380 -31.417 397 HE3 TRP 645 HE3 TRP 645 4.631 12.691 -28.797 398 HZ2 TRP 645 HZ2 TRP 645 7.142 9.364 -31.582 399 HZ3 TRP 645 HZ3 TRP 645 3.574 10.527 -29.462 400 HH2 TRP 645 HH2 TRP 645 4.842 8.890 -30.851 401 H LYS 646 H LYS 646 3.805 16.231 -28.829 402 HA LYS 646 HA LYS 646 4.520 18.514 -27.120 403 HB2 LYS 646 1HB LYS 646 1.967 16.892 -27.522 404 HB3 LYS 646 2HB LYS 646 2.107 18.143 -26.286 405 HG2 LYS 646 1HG LYS 646 1.059 19.252 -28.050 406 HG3 LYS 646 2HG LYS 646 2.751 19.749 -28.204 407 HD2 LYS 646 1HD LYS 646 3.063 18.011 -29.967 408 HD3 LYS 646 2HD LYS 646 1.364 17.572 -29.830 409 HE2 LYS 646 1HE LYS 646 2.462 20.284 -30.652 410 HE3 LYS 646 2HE LYS 646 1.804 19.056 -31.746 411 HZ1 LYS 646 1HZ LYS 646 0.189 20.771 -31.223 412 HZ2 LYS 646 2HZ LYS 646 0.259 20.403 -29.616 413 HZ3 LYS 646 3HZ LYS 646 -0.335 19.307 -30.694 414 HA PRO 647 HA PRO 647 5.936 15.545 -24.278 415 HB2 PRO 647 1HB PRO 647 6.408 16.981 -22.015 416 HB3 PRO 647 2HB PRO 647 7.354 17.203 -23.523 417 HG2 PRO 647 1HG PRO 647 5.016 18.814 -22.510 418 HG3 PRO 647 2HG PRO 647 6.604 19.386 -23.111 419 HD2 PRO 647 1HD PRO 647 4.372 19.303 -24.691 420 HD3 PRO 647 2HD PRO 647 6.028 19.012 -25.342 421 H GLU 648 H GLU 648 3.300 17.541 -22.814 422 HA GLU 648 HA GLU 648 2.188 15.105 -21.597 423 HB2 GLU 648 1HB GLU 648 3.934 15.968 -19.996 424 HB3 GLU 648 2HB GLU 648 3.067 17.505 -19.936 425 HG2 GLU 648 1HG GLU 648 1.073 16.283 -19.022 426 HG3 GLU 648 2HG GLU 648 2.045 14.808 -18.976 427 H ILE 649 H ILE 649 0.035 15.345 -21.033 428 HA ILE 649 HA ILE 649 -1.226 18.024 -21.230 429 HB ILE 649 HB ILE 649 -2.366 15.390 -22.326 430 HG12 ILE 649 1HG1 ILE 649 -0.722 16.439 -23.860 431 HG13 ILE 649 2HG1 ILE 649 -2.350 16.402 -24.523 432 HG21 ILE 649 1HG2 ILE 649 -4.162 16.656 -21.280 433 HG22 ILE 649 2HG2 ILE 649 -3.660 18.151 -22.098 434 HG23 ILE 649 3HG2 ILE 649 -4.337 16.799 -23.038 435 HD11 ILE 649 1HD1 ILE 649 -1.104 18.900 -23.258 436 HD12 ILE 649 2HD1 ILE 649 -1.119 18.552 -24.994 437 HD13 ILE 649 3HD1 ILE 649 -2.650 18.805 -24.136 438 H ARG 650 H ARG 650 -2.265 18.364 -19.350 439 HA ARG 650 HA ARG 650 -2.047 16.547 -17.121 440 HB2 ARG 650 1HB ARG 650 -3.277 18.223 -15.908 441 HB3 ARG 650 2HB ARG 650 -2.352 19.146 -17.098 442 HG2 ARG 650 1HG ARG 650 -4.493 19.116 -18.600 443 HG3 ARG 650 2HG ARG 650 -5.409 18.411 -17.267 444 HD2 ARG 650 1HD ARG 650 -4.812 20.421 -15.858 445 HD3 ARG 650 2HD ARG 650 -3.946 21.122 -17.242 446 HE ARG 650 HE ARG 650 -6.577 20.454 -18.071 447 HH11 ARG 650 1HH1 ARG 650 -4.993 22.801 -15.960 448 HH12 ARG 650 2HH1 ARG 650 -6.251 23.988 -16.181 449 HH21 ARG 650 1HH2 ARG 650 -8.146 22.012 -18.298 450 HH22 ARG 650 2HH2 ARG 650 -8.002 23.546 -17.485 451 H LEU 651 H LEU 651 -3.635 15.014 -16.336 452 HA LEU 651 HA LEU 651 -6.334 15.833 -16.813 453 HB2 LEU 651 1HB LEU 651 -5.375 13.449 -18.212 454 HB3 LEU 651 2HB LEU 651 -6.855 13.219 -17.299 455 HG LEU 651 HG LEU 651 -7.885 13.828 -19.177 456 HD11 LEU 651 1HD1 LEU 651 -8.181 16.313 -19.712 457 HD12 LEU 651 2HD1 LEU 651 -7.025 16.736 -18.405 458 HD13 LEU 651 3HD1 LEU 651 -8.561 15.872 -18.049 459 HD21 LEU 651 1HD2 LEU 651 -5.299 15.116 -20.059 460 HD22 LEU 651 2HD2 LEU 651 -6.754 15.078 -21.035 461 HD23 LEU 651 3HD2 LEU 651 -5.968 13.559 -20.545 462 HA PRO 652 HA PRO 652 -6.661 14.441 -12.733 463 HB2 PRO 652 1HB PRO 652 -9.330 14.362 -12.272 464 HB3 PRO 652 2HB PRO 652 -8.499 15.917 -12.614 465 HG2 PRO 652 1HG PRO 652 -10.012 14.122 -14.485 466 HG3 PRO 652 2HG PRO 652 -10.193 15.885 -14.219 467 HD2 PRO 652 1HD PRO 652 -8.717 14.851 -16.252 468 HD3 PRO 652 2HD PRO 652 -8.263 16.386 -15.432 469 H SER 653 H SER 653 -7.455 12.675 -11.361 470 HA SER 653 HA SER 653 -6.811 10.195 -12.398 471 HB2 SER 653 1HB SER 653 -7.816 9.364 -10.232 472 HB3 SER 653 2HB SER 653 -6.642 10.692 -10.083 473 HG SER 653 HG SER 653 -8.641 10.950 -8.864 474 H GLY 654 H GLY 654 -10.096 11.541 -12.373 475 HA2 GLY 654 1HA GLY 654 -11.081 8.837 -13.164 476 HA3 GLY 654 2HA GLY 654 -12.016 9.988 -12.230 477 H SER 655 H SER 655 -10.167 10.882 -15.173 478 HA SER 655 HA SER 655 -12.712 11.838 -16.326 479 HB2 SER 655 1HB SER 655 -10.564 13.120 -16.549 480 HB3 SER 655 2HB SER 655 -9.933 11.808 -17.561 481 HG SER 655 HG SER 655 -10.982 12.666 -19.175 482 H ASP 656 H ASP 656 -13.839 10.829 -18.019 483 HA ASP 656 HA ASP 656 -13.303 8.025 -18.497 484 HB2 ASP 656 1HB ASP 656 -15.173 10.031 -19.799 485 HB3 ASP 656 2HB ASP 656 -15.109 8.321 -20.260 486 H HIS 657 H HIS 657 -12.501 10.991 -20.235 487 HA HIS 657 HA HIS 657 -10.817 9.452 -22.055 488 HB2 HIS 657 1HB HIS 657 -11.890 10.016 -24.091 489 HB3 HIS 657 2HB HIS 657 -13.169 9.377 -23.060 490 HD1 HIS 657 HD1 HIS 657 -14.805 11.295 -21.979 491 HD2 HIS 657 HD2 HIS 657 -12.267 12.516 -25.039 492 HE1 HIS 657 HE1 HIS 657 -15.686 13.512 -22.815 493 H VAL 658 H VAL 658 -9.785 10.970 -23.681 494 HA VAL 658 HA VAL 658 -9.558 13.726 -22.554 495 HB VAL 658 HB VAL 658 -7.494 12.836 -21.916 496 HG11 VAL 658 1HG1 VAL 658 -7.592 10.636 -22.854 497 HG12 VAL 658 2HG1 VAL 658 -7.417 11.276 -24.498 498 HG13 VAL 658 3HG1 VAL 658 -6.064 11.381 -23.357 499 HG21 VAL 658 1HG2 VAL 658 -6.904 13.831 -24.733 500 HG22 VAL 658 2HG2 VAL 658 -7.248 14.886 -23.343 501 HG23 VAL 658 3HG2 VAL 658 -5.806 13.853 -23.339 502 H MET 659 H MET 659 -10.232 15.152 -23.934 503 HA MET 659 HA MET 659 -10.561 14.428 -26.779 504 HB2 MET 659 1HB MET 659 -12.203 15.728 -25.070 505 HB3 MET 659 2HB MET 659 -11.342 17.121 -25.721 506 HG2 MET 659 1HG MET 659 -12.866 15.030 -27.285 507 HG3 MET 659 2HG MET 659 -13.378 16.695 -26.986 508 HE1 MET 659 1HE MET 659 -12.610 16.599 -30.836 509 HE2 MET 659 2HE MET 659 -12.626 14.972 -30.133 510 HE3 MET 659 3HE MET 659 -13.824 16.190 -29.608 511 H LEU 660 H LEU 660 -8.360 14.387 -27.408 512 HA LEU 660 HA LEU 660 -6.571 16.608 -26.861 513 HB2 LEU 660 1HB LEU 660 -6.526 14.383 -28.927 514 HB3 LEU 660 2HB LEU 660 -5.288 15.620 -28.822 515 HG LEU 660 HG LEU 660 -5.856 13.510 -26.730 516 HD11 LEU 660 1HD1 LEU 660 -3.642 12.705 -27.426 517 HD12 LEU 660 2HD1 LEU 660 -3.544 13.987 -28.650 518 HD13 LEU 660 3HD1 LEU 660 -4.779 12.711 -28.786 519 HD21 LEU 660 1HD2 LEU 660 -5.091 15.586 -25.633 520 HD22 LEU 660 2HD2 LEU 660 -3.769 15.750 -26.814 521 HD23 LEU 660 3HD2 LEU 660 -3.774 14.407 -25.654 522 H LYS 661 H LYS 661 -6.074 18.344 -28.090 523 HA LYS 661 HA LYS 661 -7.445 18.721 -30.710 524 HB2 LYS 661 1HB LYS 661 -7.463 20.630 -28.330 525 HB3 LYS 661 2HB LYS 661 -7.769 21.152 -29.993 526 HG2 LYS 661 1HG LYS 661 -9.646 19.515 -30.113 527 HG3 LYS 661 2HG LYS 661 -9.433 19.175 -28.392 528 HD2 LYS 661 1HD LYS 661 -10.230 21.294 -27.790 529 HD3 LYS 661 2HD LYS 661 -9.819 21.993 -29.375 530 HE2 LYS 661 1HE LYS 661 -12.203 21.738 -29.351 531 HE3 LYS 661 2HE LYS 661 -11.526 20.497 -30.425 532 HZ1 LYS 661 1HZ LYS 661 -11.767 18.906 -28.599 533 HZ2 LYS 661 2HZ LYS 661 -13.216 19.545 -29.059 534 HZ3 LYS 661 3HZ LYS 661 -12.490 20.060 -27.665 535 H SER 662 H SER 662 -6.351 20.800 -31.677 536 HA SER 662 HA SER 662 -4.452 21.772 -32.505 537 HB2 SER 662 1HB SER 662 -4.219 22.517 -30.088 538 HB3 SER 662 2HB SER 662 -3.081 21.172 -29.867 539 HG SER 662 HG SER 662 -1.962 22.116 -31.756 540 H LEU 663 H LEU 663 -4.858 19.323 -33.416 541 HA LEU 663 HA LEU 663 -2.112 18.238 -33.730 542 HB2 LEU 663 1HB LEU 663 -3.106 15.944 -33.744 543 HB3 LEU 663 2HB LEU 663 -3.122 16.734 -32.179 544 HG LEU 663 HG LEU 663 -5.603 17.322 -32.702 545 HD11 LEU 663 1HD1 LEU 663 -6.681 15.419 -34.028 546 HD12 LEU 663 2HD1 LEU 663 -5.070 15.123 -34.713 547 HD13 LEU 663 3HD1 LEU 663 -5.871 16.676 -34.977 548 HD21 LEU 663 1HD2 LEU 663 -4.726 14.468 -32.167 549 HD22 LEU 663 2HD2 LEU 663 -6.262 15.225 -31.680 550 HD23 LEU 663 3HD2 LEU 663 -4.737 15.791 -30.975 551 H ASP 664 H ASP 664 -1.951 17.046 -35.815 552 HA ASP 664 HA ASP 664 -3.187 18.569 -37.910 553 HB2 ASP 664 1HB ASP 664 -1.679 15.919 -37.967 554 HB3 ASP 664 2HB ASP 664 -2.208 16.802 -39.404 555 H TRP 665 H TRP 665 -4.913 18.052 -39.248 556 HA TRP 665 HA TRP 665 -6.411 15.563 -38.493 557 HB2 TRP 665 1HB TRP 665 -8.411 16.821 -39.432 558 HB3 TRP 665 2HB TRP 665 -7.760 17.393 -37.894 559 HD1 TRP 665 HD1 TRP 665 -6.303 19.726 -37.978 560 HE1 TRP 665 HE1 TRP 665 -6.413 21.746 -39.499 561 HE3 TRP 665 HE3 TRP 665 -8.940 17.576 -41.797 562 HZ2 TRP 665 HZ2 TRP 665 -7.469 22.365 -42.082 563 HZ3 TRP 665 HZ3 TRP 665 -9.493 18.970 -43.804 564 HH2 TRP 665 HH2 TRP 665 -8.753 21.346 -43.933 565 H ASN 666 H ASN 666 -5.297 17.656 -41.123 566 HA ASN 666 HA ASN 666 -6.262 15.767 -43.179 567 HB2 ASN 666 1HB ASN 666 -5.462 17.474 -44.736 568 HB3 ASN 666 2HB ASN 666 -6.448 18.239 -43.486 569 HD21 ASN 666 1HD2 ASN 666 -2.793 19.574 -44.152 570 HD22 ASN 666 2HD2 ASN 666 -3.720 18.562 -45.237 571 H ALA 667 H ALA 667 -3.809 15.572 -41.114 572 HA ALA 667 HA ALA 667 -2.061 14.202 -43.059 573 HB1 ALA 667 1HB ALA 667 -0.038 15.259 -42.170 574 HB2 ALA 667 2HB ALA 667 -1.118 16.534 -42.767 575 HB3 ALA 667 3HB ALA 667 -0.986 16.220 -41.024 576 H GLU 668 H GLU 668 -0.473 12.861 -41.727 577 HA GLU 668 HA GLU 668 -2.099 11.412 -39.800 578 HB2 GLU 668 1HB GLU 668 -0.780 10.425 -41.688 579 HB3 GLU 668 2HB GLU 668 0.697 10.865 -40.839 580 HG2 GLU 668 1HG GLU 668 0.531 9.157 -39.380 581 HG3 GLU 668 2HG GLU 668 -1.235 9.294 -39.259 582 H TYR 669 H TYR 669 -1.651 10.966 -37.661 583 HA TYR 669 HA TYR 669 0.756 12.169 -36.445 584 HB2 TYR 669 1HB TYR 669 -0.512 13.354 -34.743 585 HB3 TYR 669 2HB TYR 669 -0.969 13.943 -36.339 586 HD1 TYR 669 HD1 TYR 669 -3.191 13.386 -37.295 587 HD2 TYR 669 HD2 TYR 669 -2.093 12.210 -33.304 588 HE1 TYR 669 HE1 TYR 669 -5.573 13.002 -36.748 589 HE2 TYR 669 HE2 TYR 669 -4.498 11.823 -32.770 590 HH TYR 669 HH TYR 669 -6.649 11.955 -33.533 591 H GLU 670 H GLU 670 1.092 11.423 -34.242 592 HA GLU 670 HA GLU 670 -0.277 8.813 -33.705 593 HB2 GLU 670 1HB GLU 670 1.875 7.929 -32.941 594 HB3 GLU 670 2HB GLU 670 1.941 8.396 -34.645 595 HG2 GLU 670 1HG GLU 670 3.097 10.501 -34.027 596 HG3 GLU 670 2HG GLU 670 3.054 10.013 -32.326 597 H VAL 671 H VAL 671 -0.665 8.304 -31.562 598 HA VAL 671 HA VAL 671 -0.069 10.486 -29.579 599 HB VAL 671 HB VAL 671 -2.625 8.838 -29.852 600 HG11 VAL 671 1HG1 VAL 671 -3.512 10.359 -28.073 601 HG12 VAL 671 2HG1 VAL 671 -2.194 9.323 -27.506 602 HG13 VAL 671 3HG1 VAL 671 -1.879 11.035 -27.880 603 HG21 VAL 671 1HG2 VAL 671 -2.555 10.514 -31.613 604 HG22 VAL 671 2HG2 VAL 671 -3.732 11.008 -30.385 605 HG23 VAL 671 3HG2 VAL 671 -2.133 11.783 -30.440 606 H TYR 672 H TYR 672 0.858 9.775 -27.728 607 HA TYR 672 HA TYR 672 0.526 6.880 -26.987 608 HB2 TYR 672 1HB TYR 672 2.877 8.778 -26.642 609 HB3 TYR 672 2HB TYR 672 2.676 7.333 -25.645 610 HD1 TYR 672 HD1 TYR 672 3.460 5.242 -26.392 611 HD2 TYR 672 HD2 TYR 672 2.894 8.425 -29.221 612 HE1 TYR 672 HE1 TYR 672 4.441 3.815 -28.186 613 HE2 TYR 672 HE2 TYR 672 3.916 7.003 -31.005 614 HH TYR 672 HH TYR 672 4.831 5.023 -31.547 615 H VAL 673 H VAL 673 -0.209 6.539 -24.902 616 HA VAL 673 HA VAL 673 -0.401 8.910 -23.116 617 HB VAL 673 HB VAL 673 -2.541 8.970 -24.201 618 HG11 VAL 673 1HG1 VAL 673 -2.581 5.963 -23.884 619 HG12 VAL 673 2HG1 VAL 673 -4.058 6.899 -24.205 620 HG13 VAL 673 3HG1 VAL 673 -2.713 6.930 -25.364 621 HG21 VAL 673 1HG2 VAL 673 -4.104 8.604 -22.401 622 HG22 VAL 673 2HG2 VAL 673 -3.008 7.459 -21.607 623 HG23 VAL 673 3HG2 VAL 673 -2.570 9.172 -21.709 624 H VAL 674 H VAL 674 -0.154 8.430 -20.990 625 HA VAL 674 HA VAL 674 -0.034 5.557 -20.188 626 HB VAL 674 HB VAL 674 2.029 6.032 -18.833 627 HG11 VAL 674 1HG1 VAL 674 2.294 6.406 -21.835 628 HG12 VAL 674 2HG1 VAL 674 3.657 6.076 -20.734 629 HG13 VAL 674 3HG1 VAL 674 2.352 4.892 -20.897 630 HG21 VAL 674 1HG2 VAL 674 1.832 8.485 -18.686 631 HG22 VAL 674 2HG2 VAL 674 3.412 8.006 -19.326 632 HG23 VAL 674 3HG2 VAL 674 2.163 8.627 -20.429 633 H ALA 675 H ALA 675 -0.128 5.283 -17.876 634 HA ALA 675 HA ALA 675 -1.468 7.565 -16.468 635 HB1 ALA 675 1HB ALA 675 -2.599 5.882 -15.156 636 HB2 ALA 675 2HB ALA 675 -2.898 5.564 -16.871 637 HB3 ALA 675 3HB ALA 675 -1.727 4.575 -15.973 638 H GLU 676 H GLU 676 -0.691 8.052 -14.403 639 HA GLU 676 HA GLU 676 1.694 6.492 -13.455 640 HB2 GLU 676 1HB GLU 676 2.405 8.684 -14.360 641 HB3 GLU 676 2HB GLU 676 1.197 9.502 -13.366 642 HG2 GLU 676 1HG GLU 676 3.119 7.779 -11.888 643 HG3 GLU 676 2HG GLU 676 3.813 9.199 -12.683 644 H ASN 677 H ASN 677 1.312 5.646 -11.462 645 HA ASN 677 HA ASN 677 -0.703 7.086 -9.836 646 HB2 ASN 677 1HB ASN 677 -1.868 5.154 -9.173 647 HB3 ASN 677 2HB ASN 677 -1.734 5.061 -10.931 648 HD21 ASN 677 1HD2 ASN 677 -1.046 1.699 -9.756 649 HD22 ASN 677 2HD2 ASN 677 -2.398 2.810 -9.838 650 H GLN 678 H GLN 678 -0.675 5.820 -7.572 651 HA GLN 678 HA GLN 678 1.702 6.909 -6.466 652 HB2 GLN 678 1HB GLN 678 -0.732 6.784 -5.724 653 HB3 GLN 678 2HB GLN 678 -0.326 5.169 -5.048 654 HG2 GLN 678 1HG GLN 678 1.212 7.695 -4.313 655 HG3 GLN 678 2HG GLN 678 -0.270 7.231 -3.473 656 HE21 GLN 678 1HE2 GLN 678 3.129 5.840 -2.081 657 HE22 GLN 678 2HE2 GLN 678 2.902 7.269 -3.050 658 H GLN 679 H GLN 679 1.549 4.051 -8.063 659 HA GLN 679 HA GLN 679 3.628 2.783 -6.317 660 HB2 GLN 679 1HB GLN 679 1.647 1.588 -8.287 661 HB3 GLN 679 2HB GLN 679 3.023 0.711 -7.620 662 HG2 GLN 679 1HG GLN 679 1.156 0.094 -6.352 663 HG3 GLN 679 2HG GLN 679 2.162 1.140 -5.351 664 HE21 GLN 679 1HE2 GLN 679 -1.327 2.796 -6.777 665 HE22 GLN 679 2HE2 GLN 679 -0.309 1.843 -7.835 666 H GLY 680 H GLY 680 2.683 3.694 -9.637 667 HA2 GLY 680 1HA GLY 680 5.323 4.089 -10.550 668 HA3 GLY 680 2HA GLY 680 4.854 2.412 -10.920 669 H LYS 681 H LYS 681 4.687 2.569 -13.137 670 HA LYS 681 HA LYS 681 2.491 4.375 -14.071 671 HB2 LYS 681 1HB LYS 681 5.197 4.032 -15.391 672 HB3 LYS 681 2HB LYS 681 3.787 4.795 -16.146 673 HG2 LYS 681 1HG LYS 681 3.770 6.284 -13.992 674 HG3 LYS 681 2HG LYS 681 5.464 5.797 -13.858 675 HD2 LYS 681 1HD LYS 681 4.184 7.032 -16.331 676 HD3 LYS 681 2HD LYS 681 5.071 7.955 -15.106 677 HE2 LYS 681 1HE LYS 681 6.270 5.641 -16.678 678 HE3 LYS 681 2HE LYS 681 6.396 7.339 -17.156 679 HZ1 LYS 681 1HZ LYS 681 8.330 6.625 -15.876 680 HZ2 LYS 681 2HZ LYS 681 7.379 6.214 -14.592 681 HZ3 LYS 681 3HZ LYS 681 7.508 7.793 -15.047 682 H SER 682 H SER 682 1.581 3.910 -16.113 683 HA SER 682 HA SER 682 1.169 0.995 -16.368 684 HB2 SER 682 1HB SER 682 -0.768 1.551 -17.582 685 HB3 SER 682 2HB SER 682 -0.652 2.846 -16.394 686 HG SER 682 HG SER 682 0.049 2.921 -19.146 687 H LYS 683 H LYS 683 1.080 0.033 -18.587 688 HA LYS 683 HA LYS 683 3.457 0.701 -20.135 689 HB2 LYS 683 1HB LYS 683 2.183 -1.604 -19.980 690 HB3 LYS 683 2HB LYS 683 1.089 -0.878 -21.153 691 HG2 LYS 683 1HG LYS 683 3.237 -0.405 -22.554 692 HG3 LYS 683 2HG LYS 683 4.020 -1.565 -21.471 693 HD2 LYS 683 1HD LYS 683 3.345 -2.819 -23.362 694 HD3 LYS 683 2HD LYS 683 2.130 -3.196 -22.121 695 HE2 LYS 683 1HE LYS 683 0.585 -1.556 -23.109 696 HE3 LYS 683 2HE LYS 683 1.821 -1.061 -24.277 697 HZ1 LYS 683 1HZ LYS 683 1.730 -3.268 -25.245 698 HZ2 LYS 683 2HZ LYS 683 0.238 -2.570 -25.271 699 HZ3 LYS 683 3HZ LYS 683 0.578 -3.746 -24.164 700 H ALA 684 H ALA 684 3.438 1.847 -22.155 701 HA ALA 684 HA ALA 684 1.361 3.835 -22.419 702 HB1 ALA 684 1HB ALA 684 3.756 4.198 -23.075 703 HB2 ALA 684 2HB ALA 684 3.543 3.017 -24.393 704 HB3 ALA 684 3HB ALA 684 2.617 4.539 -24.397 705 H ALA 685 H ALA 685 -0.258 4.022 -23.908 706 HA ALA 685 HA ALA 685 -0.694 1.682 -25.744 707 HB1 ALA 685 1HB ALA 685 -3.087 2.184 -25.640 708 HB2 ALA 685 2HB ALA 685 -2.506 1.971 -23.973 709 HB3 ALA 685 3HB ALA 685 -2.788 3.604 -24.619 710 H HIS 686 H HIS 686 -0.874 2.325 -27.917 711 HA HIS 686 HA HIS 686 -0.866 5.210 -28.458 712 HB2 HIS 686 1HB HIS 686 1.027 4.846 -30.063 713 HB3 HIS 686 2HB HIS 686 1.425 4.696 -28.355 714 HD1 HIS 686 HD1 HIS 686 1.125 2.594 -31.474 715 HD2 HIS 686 HD2 HIS 686 2.219 2.197 -27.484 716 HE1 HIS 686 HE1 HIS 686 2.216 0.327 -31.243 717 H PHE 687 H PHE 687 -1.505 5.884 -30.471 718 HA PHE 687 HA PHE 687 -2.249 3.855 -32.446 719 HB2 PHE 687 1HB PHE 687 -4.531 4.240 -32.532 720 HB3 PHE 687 2HB PHE 687 -4.197 4.168 -30.801 721 HD1 PHE 687 HD1 PHE 687 -3.891 6.472 -29.555 722 HD2 PHE 687 HD2 PHE 687 -5.640 6.065 -33.472 723 HE1 PHE 687 HE1 PHE 687 -5.060 8.669 -29.267 724 HE2 PHE 687 HE2 PHE 687 -6.794 8.233 -33.187 725 HZ PHE 687 HZ PHE 687 -6.534 9.530 -31.079 726 H VAL 688 H VAL 688 -2.847 4.802 -34.502 727 HA VAL 688 HA VAL 688 -1.673 7.523 -34.892 728 HB VAL 688 HB VAL 688 -1.446 5.050 -36.694 729 HG11 VAL 688 1HG1 VAL 688 0.114 6.416 -38.025 730 HG12 VAL 688 2HG1 VAL 688 -1.505 7.130 -37.990 731 HG13 VAL 688 3HG1 VAL 688 -0.212 7.814 -36.977 732 HG21 VAL 688 1HG2 VAL 688 0.005 4.795 -34.738 733 HG22 VAL 688 2HG2 VAL 688 1.001 5.180 -36.152 734 HG23 VAL 688 3HG2 VAL 688 0.638 6.442 -34.956 735 H PHE 689 H PHE 689 -2.866 8.857 -36.325 736 HA PHE 689 HA PHE 689 -5.213 7.690 -37.702 737 HB2 PHE 689 1HB PHE 689 -5.910 8.097 -35.342 738 HB3 PHE 689 2HB PHE 689 -5.475 9.796 -35.523 739 HD1 PHE 689 HD1 PHE 689 -6.948 11.345 -36.647 740 HD2 PHE 689 HD2 PHE 689 -7.843 7.142 -36.622 741 HE1 PHE 689 HE1 PHE 689 -9.229 11.848 -37.452 742 HE2 PHE 689 HE2 PHE 689 -10.139 7.634 -37.460 743 HZ PHE 689 HZ PHE 689 -10.835 10.001 -37.872 744 H ARG 690 H ARG 690 -6.296 9.168 -39.119 745 HA ARG 690 HA ARG 690 -5.463 11.939 -39.443 746 HB2 ARG 690 1HB ARG 690 -5.329 11.074 -42.104 747 HB3 ARG 690 2HB ARG 690 -4.026 11.744 -41.149 748 HG2 ARG 690 1HG ARG 690 -3.108 9.849 -42.083 749 HG3 ARG 690 2HG ARG 690 -3.490 9.345 -40.441 750 HD2 ARG 690 1HD ARG 690 -5.613 8.331 -41.325 751 HD3 ARG 690 2HD ARG 690 -5.049 8.739 -42.965 752 HE ARG 690 HE ARG 690 -2.979 7.372 -41.513 753 HH11 ARG 690 1HH1 ARG 690 -6.041 6.665 -43.137 754 HH12 ARG 690 2HH1 ARG 690 -5.586 5.009 -43.450 755 HH21 ARG 690 1HH2 ARG 690 -2.465 5.334 -41.942 756 HH22 ARG 690 2HH2 ARG 690 -3.561 4.255 -42.777 757 H THR 691 H THR 691 -7.019 12.912 -41.051 758 HA THR 691 HA THR 691 -9.286 11.169 -41.830 759 HB THR 691 HB THR 691 -9.938 11.894 -39.562 760 HG1 THR 691 HG1 THR 691 -11.897 12.642 -40.129 761 HG21 THR 691 1HG2 THR 691 -8.666 13.848 -39.146 762 HG22 THR 691 2HG2 THR 691 -10.362 14.374 -39.174 763 HG23 THR 691 3HG2 THR 691 -9.309 14.679 -40.577 764 H HIS 692 H HIS 692 -10.936 12.994 -42.928 765 HA HIS 692 HA HIS 692 -11.197 14.257 -44.839 766 HB2 HIS 692 1HB HIS 692 -8.982 15.824 -43.484 767 HB3 HIS 692 2HB HIS 692 -9.834 16.378 -44.930 768 HD1 HIS 692 HD1 HIS 692 -10.873 15.228 -41.404 769 HD2 HIS 692 HD2 HIS 692 -11.937 17.910 -44.396 770 HE1 HIS 692 HE1 HIS 692 -12.788 16.605 -40.499 771 H HIS 693 H HIS 693 -9.856 11.974 -45.384 772 HA HIS 693 HA HIS 693 -7.352 12.322 -46.717 773 HB2 HIS 693 1HB HIS 693 -9.506 10.286 -47.361 774 HB3 HIS 693 2HB HIS 693 -7.769 10.140 -47.660 775 HD1 HIS 693 HD1 HIS 693 -9.735 8.263 -45.814 776 HD2 HIS 693 HD2 HIS 693 -6.844 10.975 -44.547 777 HE1 HIS 693 HE1 HIS 693 -9.056 7.562 -43.487 778 H HIS 694 H HIS 694 -6.983 12.136 -49.025 779 HA HIS 694 HA HIS 694 -8.601 14.007 -50.516 780 HB2 HIS 694 1HB HIS 694 -6.431 12.300 -51.713 781 HB3 HIS 694 2HB HIS 694 -6.864 13.978 -52.067 782 HD1 HIS 694 HD1 HIS 694 -6.482 15.518 -49.584 783 HD2 HIS 694 HD2 HIS 694 -4.109 12.204 -50.414 784 HE1 HIS 694 HE1 HIS 694 -4.409 15.728 -48.153 785 H HIS 695 H HIS 695 -10.106 11.602 -49.847 786 HA HIS 695 HA HIS 695 -11.077 11.020 -52.554 787 HB2 HIS 695 1HB HIS 695 -11.191 8.570 -52.133 788 HB3 HIS 695 2HB HIS 695 -9.539 9.165 -52.316 789 HD1 HIS 695 HD1 HIS 695 -7.941 8.305 -50.595 790 HD2 HIS 695 HD2 HIS 695 -11.860 8.338 -49.202 791 HE1 HIS 695 HE1 HIS 695 -7.904 7.246 -48.305 792 H HIS 696 H HIS 696 -13.276 10.384 -52.496 793 HA HIS 696 HA HIS 696 -14.610 10.661 -49.850 794 HB2 HIS 696 1HB HIS 696 -15.545 12.128 -52.333 795 HB3 HIS 696 2HB HIS 696 -16.081 12.354 -50.663 796 HD1 HIS 696 HD1 HIS 696 -13.710 13.097 -49.079 797 HD2 HIS 696 HD2 HIS 696 -14.011 14.174 -53.084 798 HE1 HIS 696 HE1 HIS 696 -12.112 15.019 -49.436 799 H HIS 697 H HIS 697 -17.212 10.567 -50.679 800 HA HIS 697 HA HIS 697 -17.490 8.288 -52.555 801 HB2 HIS 697 1HB HIS 697 -18.895 7.064 -51.043 802 HB3 HIS 697 2HB HIS 697 -17.389 7.385 -50.176 803 HD1 HIS 697 HD1 HIS 697 -20.869 9.013 -50.515 804 HD2 HIS 697 HD2 HIS 697 -17.881 8.395 -47.665 805 HE1 HIS 697 HE1 HIS 697 -21.761 9.937 -48.331 Start of MODEL 5 1 H1 MET 595 1H MET 595 2.566 0.546 1.203 2 H2 MET 595 2H MET 595 2.443 -1.080 0.957 3 H3 MET 595 3H MET 595 3.890 -0.314 0.734 4 HA MET 595 HA MET 595 1.459 0.156 -0.853 5 HB2 MET 595 1HB MET 595 2.711 1.596 -2.233 6 HB3 MET 595 2HB MET 595 3.078 2.089 -0.583 7 HG2 MET 595 1HG MET 595 4.860 0.401 -2.388 8 HG3 MET 595 2HG MET 595 5.074 2.118 -2.025 9 HE1 MET 595 1HE MET 595 7.627 1.649 -1.318 10 HE2 MET 595 2HE MET 595 8.094 0.415 -0.122 11 HE3 MET 595 3HE MET 595 7.400 -0.079 -1.685 12 H GLN 596 H GLN 596 4.195 -1.962 -0.298 13 HA GLN 596 HA GLN 596 4.818 -2.802 -2.851 14 HB2 GLN 596 1HB GLN 596 5.868 -3.387 -0.652 15 HB3 GLN 596 2HB GLN 596 4.593 -4.588 -0.418 16 HG2 GLN 596 1HG GLN 596 5.333 -5.798 -2.419 17 HG3 GLN 596 2HG GLN 596 6.551 -4.554 -2.744 18 HE21 GLN 596 1HE2 GLN 596 8.533 -7.082 -1.130 19 HE22 GLN 596 2HE2 GLN 596 7.844 -6.668 -2.684 20 HA PRO 597 HA PRO 597 1.588 -6.118 -3.122 21 HB2 PRO 597 1HB PRO 597 -0.836 -6.013 -1.932 22 HB3 PRO 597 2HB PRO 597 0.606 -6.628 -1.062 23 HG2 PRO 597 1HG PRO 597 -0.595 -3.877 -1.009 24 HG3 PRO 597 2HG PRO 597 -0.205 -4.963 0.364 25 HD2 PRO 597 1HD PRO 597 1.491 -3.014 -0.438 26 HD3 PRO 597 2HD PRO 597 2.099 -4.597 0.154 27 H VAL 598 H VAL 598 1.169 -2.790 -3.496 28 HA VAL 598 HA VAL 598 -1.321 -2.902 -5.041 29 HB VAL 598 HB VAL 598 0.778 -0.727 -4.630 30 HG11 VAL 598 1HG1 VAL 598 0.064 0.011 -6.648 31 HG12 VAL 598 2HG1 VAL 598 -1.474 -0.843 -6.561 32 HG13 VAL 598 3HG1 VAL 598 -1.263 0.673 -5.672 33 HG21 VAL 598 1HG2 VAL 598 -2.091 -0.988 -3.639 34 HG22 VAL 598 2HG2 VAL 598 -0.622 -1.196 -2.658 35 HG23 VAL 598 3HG2 VAL 598 -1.013 0.395 -3.342 36 H ARG 599 H ARG 599 -1.412 -3.621 -7.063 37 HA ARG 599 HA ARG 599 1.047 -4.020 -8.606 38 HB2 ARG 599 1HB ARG 599 -0.369 -5.071 -10.260 39 HB3 ARG 599 2HB ARG 599 -0.824 -5.679 -8.663 40 HG2 ARG 599 1HG ARG 599 -2.750 -4.114 -8.642 41 HG3 ARG 599 2HG ARG 599 -2.284 -3.562 -10.259 42 HD2 ARG 599 1HD ARG 599 -2.597 -5.878 -11.110 43 HD3 ARG 599 2HD ARG 599 -3.193 -6.361 -9.509 44 HE ARG 599 HE ARG 599 -4.554 -4.626 -11.498 45 HH11 ARG 599 1HH1 ARG 599 -4.692 -6.004 -8.236 46 HH12 ARG 599 2HH1 ARG 599 -6.376 -5.593 -8.055 47 HH21 ARG 599 1HH2 ARG 599 -6.674 -4.156 -11.181 48 HH22 ARG 599 2HH2 ARG 599 -7.484 -4.586 -9.695 49 H GLU 600 H GLU 600 1.449 -3.039 -10.647 50 HA GLU 600 HA GLU 600 0.989 -0.210 -10.630 51 HB2 GLU 600 1HB GLU 600 1.943 -2.034 -12.883 52 HB3 GLU 600 2HB GLU 600 2.097 -0.281 -12.840 53 HG2 GLU 600 1HG GLU 600 4.219 -0.962 -12.221 54 HG3 GLU 600 2HG GLU 600 3.459 -0.633 -10.658 55 HA PRO 601 HA PRO 601 -2.806 -0.142 -12.788 56 HB2 PRO 601 1HB PRO 601 -2.702 2.126 -14.335 57 HB3 PRO 601 2HB PRO 601 -2.926 2.140 -12.560 58 HG2 PRO 601 1HG PRO 601 -0.427 2.546 -14.152 59 HG3 PRO 601 2HG PRO 601 -1.041 3.494 -12.779 60 HD2 PRO 601 1HD PRO 601 0.892 1.609 -12.540 61 HD3 PRO 601 2HD PRO 601 -0.308 1.922 -11.242 62 H SER 602 H SER 602 -3.812 -0.580 -14.721 63 HA SER 602 HA SER 602 -2.168 -1.983 -16.662 64 HB2 SER 602 1HB SER 602 -4.374 -2.841 -15.823 65 HB3 SER 602 2HB SER 602 -5.169 -1.498 -16.665 66 HG SER 602 HG SER 602 -5.073 -3.483 -17.878 67 H ALA 603 H ALA 603 -2.283 -1.549 -18.962 68 HA ALA 603 HA ALA 603 -1.717 1.120 -19.613 69 HB1 ALA 603 1HB ALA 603 -1.838 0.390 -21.956 70 HB2 ALA 603 2HB ALA 603 -1.075 -0.887 -20.990 71 HB3 ALA 603 3HB ALA 603 -2.775 -1.049 -21.490 72 HA PRO 604 HA PRO 604 -5.728 2.921 -19.725 73 HB2 PRO 604 1HB PRO 604 -5.407 4.911 -21.605 74 HB3 PRO 604 2HB PRO 604 -4.758 5.009 -19.935 75 HG2 PRO 604 1HG PRO 604 -3.383 4.147 -22.443 76 HG3 PRO 604 2HG PRO 604 -2.844 5.315 -21.205 77 HD2 PRO 604 1HD PRO 604 -1.930 2.823 -21.235 78 HD3 PRO 604 2HD PRO 604 -2.327 3.637 -19.679 79 H LYS 605 H LYS 605 -7.641 2.849 -20.924 80 HA LYS 605 HA LYS 605 -7.536 0.851 -23.088 81 HB2 LYS 605 1HB LYS 605 -9.776 2.173 -21.514 82 HB3 LYS 605 2HB LYS 605 -10.074 1.075 -22.870 83 HG2 LYS 605 1HG LYS 605 -9.855 -0.702 -21.536 84 HG3 LYS 605 2HG LYS 605 -8.203 -0.233 -21.132 85 HD2 LYS 605 1HD LYS 605 -10.544 1.054 -19.704 86 HD3 LYS 605 2HD LYS 605 -10.002 -0.561 -19.233 87 HE2 LYS 605 1HE LYS 605 -8.208 1.902 -19.291 88 HE3 LYS 605 2HE LYS 605 -9.020 1.286 -17.855 89 HZ1 LYS 605 1HZ LYS 605 -6.886 0.434 -17.724 90 HZ2 LYS 605 2HZ LYS 605 -6.795 0.036 -19.328 91 HZ3 LYS 605 3HZ LYS 605 -7.751 -0.843 -18.303 92 H LEU 606 H LEU 606 -8.240 1.255 -25.236 93 HA LEU 606 HA LEU 606 -8.593 4.136 -25.893 94 HB2 LEU 606 1HB LEU 606 -6.220 3.410 -26.087 95 HB3 LEU 606 2HB LEU 606 -6.695 2.176 -27.233 96 HG LEU 606 HG LEU 606 -5.548 4.300 -28.073 97 HD11 LEU 606 1HD1 LEU 606 -8.111 3.364 -29.408 98 HD12 LEU 606 2HD1 LEU 606 -6.485 2.698 -29.620 99 HD13 LEU 606 3HD1 LEU 606 -6.853 4.341 -30.179 100 HD21 LEU 606 1HD2 LEU 606 -6.928 6.219 -28.567 101 HD22 LEU 606 2HD2 LEU 606 -6.954 5.895 -26.824 102 HD23 LEU 606 3HD2 LEU 606 -8.342 5.455 -27.834 103 H GLU 607 H GLU 607 -10.054 4.560 -27.403 104 HA GLU 607 HA GLU 607 -11.142 2.308 -29.045 105 HB2 GLU 607 1HB GLU 607 -12.498 4.793 -27.961 106 HB3 GLU 607 2HB GLU 607 -13.228 3.688 -29.135 107 HG2 GLU 607 1HG GLU 607 -13.116 1.853 -27.514 108 HG3 GLU 607 2HG GLU 607 -12.353 2.934 -26.331 109 H GLY 608 H GLY 608 -9.993 5.677 -29.016 110 HA2 GLY 608 1HA GLY 608 -9.273 7.001 -30.755 111 HA3 GLY 608 2HA GLY 608 -9.338 5.569 -31.794 112 H GLN 609 H GLN 609 -11.876 7.414 -30.031 113 HA GLN 609 HA GLN 609 -13.721 7.093 -32.244 114 HB2 GLN 609 1HB GLN 609 -13.796 8.849 -29.776 115 HB3 GLN 609 2HB GLN 609 -15.135 8.682 -30.906 116 HG2 GLN 609 1HG GLN 609 -13.975 6.389 -29.256 117 HG3 GLN 609 2HG GLN 609 -15.413 7.316 -28.840 118 HE21 GLN 609 1HE2 GLN 609 -16.350 4.162 -30.468 119 HE22 GLN 609 2HE2 GLN 609 -15.389 4.646 -29.072 120 H MET 610 H MET 610 -13.959 8.327 -33.955 121 HA MET 610 HA MET 610 -12.069 10.189 -34.774 122 HB2 MET 610 1HB MET 610 -14.971 10.079 -35.635 123 HB3 MET 610 2HB MET 610 -13.633 10.758 -36.554 124 HG2 MET 610 1HG MET 610 -13.912 8.708 -37.580 125 HG3 MET 610 2HG MET 610 -12.629 8.348 -36.418 126 HE1 MET 610 1HE MET 610 -16.394 7.807 -37.461 127 HE2 MET 610 2HE MET 610 -17.082 6.981 -36.044 128 HE3 MET 610 3HE MET 610 -16.645 8.703 -35.942 129 H GLY 611 H GLY 611 -11.954 12.404 -35.011 130 HA2 GLY 611 1HA GLY 611 -13.610 13.928 -33.073 131 HA3 GLY 611 2HA GLY 611 -12.030 14.399 -33.689 132 H GLU 612 H GLU 612 -15.476 14.051 -34.535 133 HA GLU 612 HA GLU 612 -15.315 15.427 -37.074 134 HB2 GLU 612 1HB GLU 612 -17.623 15.267 -35.086 135 HB3 GLU 612 2HB GLU 612 -17.740 15.775 -36.768 136 HG2 GLU 612 1HG GLU 612 -18.515 13.576 -36.812 137 HG3 GLU 612 2HG GLU 612 -16.847 13.444 -37.389 138 H ASP 613 H ASP 613 -15.007 16.339 -33.833 139 HA ASP 613 HA ASP 613 -15.863 19.025 -33.719 140 HB2 ASP 613 1HB ASP 613 -13.403 17.789 -32.448 141 HB3 ASP 613 2HB ASP 613 -14.313 19.161 -31.830 142 H GLY 614 H GLY 614 -13.277 17.585 -35.502 143 HA2 GLY 614 1HA GLY 614 -11.904 18.582 -37.072 144 HA3 GLY 614 2HA GLY 614 -12.511 20.170 -36.593 145 H ASN 615 H ASN 615 -9.763 18.836 -37.089 146 HA ASN 615 HA ASN 615 -7.619 19.073 -36.308 147 HB2 ASN 615 1HB ASN 615 -8.764 21.494 -36.234 148 HB3 ASN 615 2HB ASN 615 -8.468 21.328 -34.499 149 HD21 ASN 615 1HD2 ASN 615 -4.878 21.250 -34.991 150 HD22 ASN 615 2HD2 ASN 615 -6.138 20.401 -34.106 151 H SER 616 H SER 616 -9.468 17.269 -34.826 152 HA SER 616 HA SER 616 -7.922 16.963 -32.363 153 HB2 SER 616 1HB SER 616 -10.036 17.095 -30.985 154 HB3 SER 616 2HB SER 616 -9.436 18.619 -31.638 155 HG SER 616 HG SER 616 -10.950 18.501 -33.285 156 H ILE 617 H ILE 617 -8.979 15.252 -30.888 157 HA ILE 617 HA ILE 617 -10.719 13.282 -32.166 158 HB ILE 617 HB ILE 617 -8.453 12.734 -33.106 159 HG12 ILE 617 1HG1 ILE 617 -9.178 10.458 -31.299 160 HG13 ILE 617 2HG1 ILE 617 -10.406 11.094 -32.388 161 HG21 ILE 617 1HG2 ILE 617 -6.693 11.787 -31.697 162 HG22 ILE 617 2HG2 ILE 617 -7.095 13.401 -31.086 163 HG23 ILE 617 3HG2 ILE 617 -7.701 11.960 -30.243 164 HD11 ILE 617 1HD1 ILE 617 -9.180 9.155 -33.278 165 HD12 ILE 617 2HD1 ILE 617 -9.110 10.606 -34.300 166 HD13 ILE 617 3HD1 ILE 617 -7.709 10.158 -33.306 167 H LYS 618 H LYS 618 -11.402 11.598 -30.640 168 HA LYS 618 HA LYS 618 -10.974 12.403 -27.777 169 HB2 LYS 618 1HB LYS 618 -13.067 10.573 -29.008 170 HB3 LYS 618 2HB LYS 618 -12.974 11.045 -27.323 171 HG2 LYS 618 1HG LYS 618 -14.600 12.474 -27.945 172 HG3 LYS 618 2HG LYS 618 -13.237 13.493 -28.418 173 HD2 LYS 618 1HD LYS 618 -13.585 13.123 -30.696 174 HD3 LYS 618 2HD LYS 618 -14.330 11.533 -30.435 175 HE2 LYS 618 1HE LYS 618 -16.373 12.555 -29.609 176 HE3 LYS 618 2HE LYS 618 -15.643 14.173 -29.664 177 HZ1 LYS 618 1HZ LYS 618 -15.751 14.223 -31.938 178 HZ2 LYS 618 2HZ LYS 618 -17.141 13.411 -31.597 179 HZ3 LYS 618 3HZ LYS 618 -15.820 12.581 -32.134 180 H VAL 619 H VAL 619 -9.827 11.005 -26.478 181 HA VAL 619 HA VAL 619 -9.511 8.196 -27.457 182 HB VAL 619 HB VAL 619 -7.288 8.459 -27.752 183 HG11 VAL 619 1HG1 VAL 619 -7.578 10.829 -28.234 184 HG12 VAL 619 2HG1 VAL 619 -7.532 11.237 -26.503 185 HG13 VAL 619 3HG1 VAL 619 -6.083 10.604 -27.310 186 HG21 VAL 619 1HG2 VAL 619 -7.146 9.210 -24.807 187 HG22 VAL 619 2HG2 VAL 619 -7.125 7.570 -25.465 188 HG23 VAL 619 3HG2 VAL 619 -5.788 8.681 -25.817 189 H ASN 620 H ASN 620 -9.727 6.667 -25.832 190 HA ASN 620 HA ASN 620 -11.244 7.632 -23.548 191 HB2 ASN 620 1HB ASN 620 -10.848 5.120 -24.962 192 HB3 ASN 620 2HB ASN 620 -10.747 4.895 -23.211 193 HD21 ASN 620 1HD2 ASN 620 -14.267 5.628 -25.004 194 HD22 ASN 620 2HD2 ASN 620 -12.779 5.560 -25.887 195 H LEU 621 H LEU 621 -10.844 7.174 -21.376 196 HA LEU 621 HA LEU 621 -8.015 6.636 -20.702 197 HB2 LEU 621 1HB LEU 621 -9.313 9.065 -20.458 198 HB3 LEU 621 2HB LEU 621 -9.421 8.395 -18.840 199 HG LEU 621 HG LEU 621 -7.037 8.360 -18.631 200 HD11 LEU 621 1HD1 LEU 621 -5.566 9.269 -20.488 201 HD12 LEU 621 2HD1 LEU 621 -6.940 9.009 -21.589 202 HD13 LEU 621 3HD1 LEU 621 -6.201 7.635 -20.744 203 HD21 LEU 621 1HD2 LEU 621 -6.571 10.800 -19.050 204 HD22 LEU 621 2HD2 LEU 621 -8.146 10.510 -18.302 205 HD23 LEU 621 3HD2 LEU 621 -8.045 10.881 -20.034 206 H ILE 622 H ILE 622 -7.992 6.331 -18.159 207 HA ILE 622 HA ILE 622 -9.539 3.911 -17.657 208 HB ILE 622 HB ILE 622 -7.464 5.545 -16.181 209 HG12 ILE 622 1HG1 ILE 622 -7.124 2.676 -16.781 210 HG13 ILE 622 2HG1 ILE 622 -7.243 3.722 -18.192 211 HG21 ILE 622 1HG2 ILE 622 -8.797 4.711 -14.387 212 HG22 ILE 622 2HG2 ILE 622 -8.922 3.108 -15.148 213 HG23 ILE 622 3HG2 ILE 622 -7.375 3.665 -14.516 214 HD11 ILE 622 1HD1 ILE 622 -5.299 4.085 -15.928 215 HD12 ILE 622 2HD1 ILE 622 -4.944 3.312 -17.486 216 HD13 ILE 622 3HD1 ILE 622 -5.393 5.036 -17.435 217 H LYS 623 H LYS 623 -11.329 3.668 -16.401 218 HA LYS 623 HA LYS 623 -12.270 6.034 -14.867 219 HB2 LYS 623 1HB LYS 623 -14.624 4.878 -15.376 220 HB3 LYS 623 2HB LYS 623 -13.909 6.109 -16.392 221 HG2 LYS 623 1HG LYS 623 -13.243 3.274 -17.106 222 HG3 LYS 623 2HG LYS 623 -14.918 3.804 -17.355 223 HD2 LYS 623 1HD LYS 623 -12.777 5.623 -18.338 224 HD3 LYS 623 2HD LYS 623 -13.095 4.125 -19.248 225 HE2 LYS 623 1HE LYS 623 -15.446 4.670 -19.421 226 HE3 LYS 623 2HE LYS 623 -15.236 6.078 -18.375 227 HZ1 LYS 623 1HZ LYS 623 -14.228 5.755 -21.135 228 HZ2 LYS 623 2HZ LYS 623 -13.656 6.924 -20.120 229 HZ3 LYS 623 3HZ LYS 623 -15.247 6.920 -20.535 230 H GLN 624 H GLN 624 -10.805 3.363 -14.144 231 HA GLN 624 HA GLN 624 -12.365 2.912 -11.699 232 HB2 GLN 624 1HB GLN 624 -12.561 0.516 -11.984 233 HB3 GLN 624 2HB GLN 624 -13.405 1.343 -13.288 234 HG2 GLN 624 1HG GLN 624 -10.599 0.231 -13.606 235 HG3 GLN 624 2HG GLN 624 -12.052 -0.725 -13.913 236 HE21 GLN 624 1HE2 GLN 624 -10.628 1.660 -16.747 237 HE22 GLN 624 2HE2 GLN 624 -9.768 1.273 -15.261 238 H ASP 625 H ASP 625 -11.174 1.052 -10.362 239 HA ASP 625 HA ASP 625 -8.374 1.884 -10.199 240 HB2 ASP 625 1HB ASP 625 -8.292 0.328 -8.268 241 HB3 ASP 625 2HB ASP 625 -9.572 1.541 -8.125 242 H ASP 626 H ASP 626 -7.202 1.190 -11.873 243 HA ASP 626 HA ASP 626 -7.572 -1.386 -13.158 244 HB2 ASP 626 1HB ASP 626 -5.418 0.744 -13.199 245 HB3 ASP 626 2HB ASP 626 -5.267 -0.781 -14.084 246 H GLY 627 H GLY 627 -5.764 -0.105 -10.546 247 HA2 GLY 627 1HA GLY 627 -4.081 -2.544 -10.476 248 HA3 GLY 627 2HA GLY 627 -3.504 -0.943 -10.049 249 H GLY 628 H GLY 628 -3.074 -0.910 -8.131 250 HA2 GLY 628 1HA GLY 628 -4.809 -2.346 -6.132 251 HA3 GLY 628 2HA GLY 628 -3.109 -1.951 -5.888 252 H SER 629 H SER 629 -4.053 0.733 -7.262 253 HA SER 629 HA SER 629 -5.583 1.977 -5.080 254 HB2 SER 629 1HB SER 629 -2.782 2.892 -5.878 255 HB3 SER 629 2HB SER 629 -3.892 3.790 -4.821 256 HG SER 629 HG SER 629 -3.692 1.281 -3.922 257 HA PRO 630 HA PRO 630 -6.997 3.856 -8.753 258 HB2 PRO 630 1HB PRO 630 -7.778 6.381 -8.057 259 HB3 PRO 630 2HB PRO 630 -8.652 4.918 -7.495 260 HG2 PRO 630 1HG PRO 630 -6.524 6.502 -6.070 261 HG3 PRO 630 2HG PRO 630 -8.155 6.025 -5.487 262 HD2 PRO 630 1HD PRO 630 -5.985 4.580 -4.839 263 HD3 PRO 630 2HD PRO 630 -7.533 3.764 -5.257 264 H ILE 631 H ILE 631 -6.582 5.423 -10.393 265 HA ILE 631 HA ILE 631 -3.819 6.136 -10.683 266 HB ILE 631 HB ILE 631 -6.370 6.672 -12.259 267 HG12 ILE 631 1HG1 ILE 631 -5.065 5.568 -14.079 268 HG13 ILE 631 2HG1 ILE 631 -3.690 5.397 -12.985 269 HG21 ILE 631 1HG2 ILE 631 -3.647 7.944 -12.780 270 HG22 ILE 631 2HG2 ILE 631 -4.933 7.846 -13.974 271 HG23 ILE 631 3HG2 ILE 631 -5.196 8.782 -12.508 272 HD11 ILE 631 1HD1 ILE 631 -4.836 3.759 -11.674 273 HD12 ILE 631 2HD1 ILE 631 -6.385 4.101 -12.489 274 HD13 ILE 631 3HD1 ILE 631 -5.056 3.331 -13.384 275 H ARG 632 H ARG 632 -2.876 8.251 -10.584 276 HA ARG 632 HA ARG 632 -4.476 10.202 -8.966 277 HB2 ARG 632 1HB ARG 632 -1.519 9.576 -9.137 278 HB3 ARG 632 2HB ARG 632 -2.073 11.186 -8.673 279 HG2 ARG 632 1HG ARG 632 -3.554 9.908 -6.925 280 HG3 ARG 632 2HG ARG 632 -2.375 8.588 -7.146 281 HD2 ARG 632 1HD ARG 632 -0.619 9.852 -6.270 282 HD3 ARG 632 2HD ARG 632 -1.374 11.401 -6.726 283 HE ARG 632 HE ARG 632 -2.723 9.795 -4.641 284 HH11 ARG 632 1HH1 ARG 632 -0.629 12.565 -5.329 285 HH12 ARG 632 2HH1 ARG 632 -0.872 13.248 -3.743 286 HH21 ARG 632 1HH2 ARG 632 -2.965 10.704 -2.665 287 HH22 ARG 632 2HH2 ARG 632 -2.185 12.213 -2.258 288 H HIS 633 H HIS 633 -2.292 9.806 -11.786 289 HA HIS 633 HA HIS 633 -3.464 12.299 -12.921 290 HB2 HIS 633 1HB HIS 633 -0.492 11.685 -13.008 291 HB3 HIS 633 2HB HIS 633 -1.303 13.177 -13.499 292 HD1 HIS 633 HD1 HIS 633 -2.497 14.493 -11.320 293 HD2 HIS 633 HD2 HIS 633 0.520 11.744 -10.525 294 HE1 HIS 633 HE1 HIS 633 -1.678 14.973 -8.982 295 H TYR 634 H TYR 634 -3.134 12.514 -15.237 296 HA TYR 634 HA TYR 634 -2.343 9.977 -16.633 297 HB2 TYR 634 1HB TYR 634 -4.435 12.033 -17.440 298 HB3 TYR 634 2HB TYR 634 -3.895 10.675 -18.436 299 HD1 TYR 634 HD1 TYR 634 -6.299 11.764 -16.058 300 HD2 TYR 634 HD2 TYR 634 -4.126 8.287 -17.373 301 HE1 TYR 634 HE1 TYR 634 -8.005 10.275 -14.987 302 HE2 TYR 634 HE2 TYR 634 -5.820 6.828 -16.278 303 HH TYR 634 HH TYR 634 -8.721 8.137 -14.673 304 H LEU 635 H LEU 635 -0.979 10.227 -18.360 305 HA LEU 635 HA LEU 635 -0.162 13.032 -18.994 306 HB2 LEU 635 1HB LEU 635 1.711 10.660 -18.705 307 HB3 LEU 635 2HB LEU 635 2.157 12.301 -19.130 308 HG LEU 635 HG LEU 635 1.057 12.799 -16.718 309 HD11 LEU 635 1HD1 LEU 635 0.464 10.454 -16.197 310 HD12 LEU 635 2HD1 LEU 635 1.719 11.031 -15.088 311 HD13 LEU 635 3HD1 LEU 635 2.147 9.958 -16.442 312 HD21 LEU 635 1HD2 LEU 635 3.312 13.432 -17.371 313 HD22 LEU 635 2HD2 LEU 635 3.864 11.745 -17.239 314 HD23 LEU 635 3HD2 LEU 635 3.363 12.643 -15.784 315 H VAL 636 H VAL 636 -0.406 13.410 -21.132 316 HA VAL 636 HA VAL 636 -0.398 11.052 -22.997 317 HB VAL 636 HB VAL 636 -1.772 13.697 -23.594 318 HG11 VAL 636 1HG1 VAL 636 -2.128 10.860 -24.623 319 HG12 VAL 636 2HG1 VAL 636 -3.163 12.230 -25.068 320 HG13 VAL 636 3HG1 VAL 636 -1.444 12.246 -25.504 321 HG21 VAL 636 1HG2 VAL 636 -2.966 11.319 -22.098 322 HG22 VAL 636 2HG2 VAL 636 -2.847 13.001 -21.529 323 HG23 VAL 636 3HG2 VAL 636 -3.935 12.594 -22.866 324 H ARG 637 H ARG 637 0.848 11.216 -24.896 325 HA ARG 637 HA ARG 637 2.345 13.781 -25.326 326 HB2 ARG 637 1HB ARG 637 3.812 12.336 -24.002 327 HB3 ARG 637 2HB ARG 637 3.486 10.960 -25.062 328 HG2 ARG 637 1HG ARG 637 4.704 11.897 -26.847 329 HG3 ARG 637 2HG ARG 637 4.795 13.483 -26.077 330 HD2 ARG 637 1HD ARG 637 6.104 10.968 -25.008 331 HD3 ARG 637 2HD ARG 637 6.923 12.218 -25.972 332 HE ARG 637 HE ARG 637 5.615 13.441 -23.736 333 HH11 ARG 637 1HH1 ARG 637 8.463 11.458 -24.435 334 HH12 ARG 637 2HH1 ARG 637 9.318 12.046 -23.035 335 HH21 ARG 637 1HH2 ARG 637 6.737 14.129 -22.005 336 HH22 ARG 637 2HH2 ARG 637 8.358 13.552 -21.678 337 H TYR 638 H TYR 638 2.235 14.277 -27.520 338 HA TYR 638 HA TYR 638 1.710 12.073 -29.410 339 HB2 TYR 638 1HB TYR 638 -0.341 13.007 -30.287 340 HB3 TYR 638 2HB TYR 638 -0.532 12.674 -28.569 341 HD1 TYR 638 HD1 TYR 638 -1.372 14.926 -31.069 342 HD2 TYR 638 HD2 TYR 638 0.124 14.918 -27.026 343 HE1 TYR 638 HE1 TYR 638 -2.268 17.231 -30.709 344 HE2 TYR 638 HE2 TYR 638 -0.725 17.224 -26.719 345 HH TYR 638 HH TYR 638 -2.685 18.885 -29.167 346 H ARG 639 H ARG 639 1.871 12.705 -31.642 347 HA ARG 639 HA ARG 639 3.198 15.332 -32.148 348 HB2 ARG 639 1HB ARG 639 5.072 13.996 -31.568 349 HB3 ARG 639 2HB ARG 639 4.465 12.588 -32.380 350 HG2 ARG 639 1HG ARG 639 4.967 14.868 -34.146 351 HG3 ARG 639 2HG ARG 639 6.399 14.243 -33.325 352 HD2 ARG 639 1HD ARG 639 6.143 12.101 -34.242 353 HD3 ARG 639 2HD ARG 639 4.440 12.379 -34.656 354 HE ARG 639 HE ARG 639 5.894 14.268 -36.112 355 HH11 ARG 639 1HH1 ARG 639 5.664 10.727 -35.987 356 HH12 ARG 639 2HH1 ARG 639 6.129 10.566 -37.669 357 HH21 ARG 639 1HH2 ARG 639 6.450 13.976 -38.230 358 HH22 ARG 639 2HH2 ARG 639 6.566 12.375 -38.913 359 H ALA 640 H ALA 640 3.001 15.933 -34.320 360 HA ALA 640 HA ALA 640 1.239 14.158 -35.946 361 HB1 ALA 640 1HB ALA 640 1.393 17.181 -36.111 362 HB2 ALA 640 2HB ALA 640 0.171 16.093 -36.796 363 HB3 ALA 640 3HB ALA 640 0.244 16.333 -35.043 364 H LEU 641 H LEU 641 1.509 14.548 -38.375 365 HA LEU 641 HA LEU 641 4.207 14.099 -39.091 366 HB2 LEU 641 1HB LEU 641 1.674 14.244 -40.368 367 HB3 LEU 641 2HB LEU 641 2.715 15.355 -41.237 368 HG LEU 641 HG LEU 641 2.638 13.172 -42.305 369 HD11 LEU 641 1HD1 LEU 641 5.034 12.786 -42.564 370 HD12 LEU 641 2HD1 LEU 641 5.373 13.684 -41.066 371 HD13 LEU 641 3HD1 LEU 641 4.701 14.528 -42.478 372 HD21 LEU 641 1HD2 LEU 641 3.931 12.037 -39.793 373 HD22 LEU 641 2HD2 LEU 641 3.558 11.162 -41.295 374 HD23 LEU 641 3HD2 LEU 641 2.242 11.788 -40.283 375 H SER 642 H SER 642 2.287 17.062 -39.027 376 HA SER 642 HA SER 642 4.548 18.674 -40.022 377 HB2 SER 642 1HB SER 642 1.844 19.675 -39.134 378 HB3 SER 642 2HB SER 642 2.959 20.388 -40.320 379 HG SER 642 HG SER 642 1.325 18.076 -40.535 380 H SER 643 H SER 643 4.055 17.504 -36.990 381 HA SER 643 HA SER 643 4.989 20.049 -35.763 382 HB2 SER 643 1HB SER 643 2.414 19.679 -35.644 383 HB3 SER 643 2HB SER 643 2.810 18.469 -34.408 384 HG SER 643 HG SER 643 3.512 21.229 -34.414 385 H GLU 644 H GLU 644 5.706 19.828 -33.511 386 HA GLU 644 HA GLU 644 7.466 17.518 -33.251 387 HB2 GLU 644 1HB GLU 644 6.906 19.874 -31.414 388 HB3 GLU 644 2HB GLU 644 8.231 18.718 -31.222 389 HG2 GLU 644 1HG GLU 644 9.195 19.458 -33.363 390 HG3 GLU 644 2HG GLU 644 7.868 20.619 -33.562 391 H TRP 645 H TRP 645 7.702 16.431 -31.097 392 HA TRP 645 HA TRP 645 5.268 15.289 -30.104 393 HB2 TRP 645 1HB TRP 645 8.129 15.361 -29.090 394 HB3 TRP 645 2HB TRP 645 6.829 14.578 -28.187 395 HD1 TRP 645 HD1 TRP 645 9.209 13.946 -31.024 396 HE1 TRP 645 HE1 TRP 645 8.860 11.627 -32.016 397 HE3 TRP 645 HE3 TRP 645 4.775 12.868 -28.732 398 HZ2 TRP 645 HZ2 TRP 645 6.918 9.543 -31.815 399 HZ3 TRP 645 HZ3 TRP 645 3.704 10.646 -29.163 400 HH2 TRP 645 HH2 TRP 645 4.790 9.007 -30.696 401 H LYS 646 H LYS 646 3.779 16.433 -29.071 402 HA LYS 646 HA LYS 646 4.438 18.716 -27.382 403 HB2 LYS 646 1HB LYS 646 1.925 17.014 -27.687 404 HB3 LYS 646 2HB LYS 646 2.039 18.387 -26.578 405 HG2 LYS 646 1HG LYS 646 1.088 19.447 -28.391 406 HG3 LYS 646 2HG LYS 646 2.801 19.695 -28.761 407 HD2 LYS 646 1HD LYS 646 2.617 17.513 -30.155 408 HD3 LYS 646 2HD LYS 646 0.872 17.706 -30.010 409 HE2 LYS 646 1HE LYS 646 2.815 19.739 -31.168 410 HE3 LYS 646 2HE LYS 646 1.799 18.643 -32.113 411 HZ1 LYS 646 1HZ LYS 646 -0.145 19.735 -31.285 412 HZ2 LYS 646 2HZ LYS 646 0.870 20.881 -31.896 413 HZ3 LYS 646 3HZ LYS 646 0.738 20.689 -30.265 414 HA PRO 647 HA PRO 647 6.173 15.871 -24.649 415 HB2 PRO 647 1HB PRO 647 6.741 17.365 -22.431 416 HB3 PRO 647 2HB PRO 647 7.575 17.586 -24.004 417 HG2 PRO 647 1HG PRO 647 5.228 19.120 -22.891 418 HG3 PRO 647 2HG PRO 647 6.769 19.747 -23.563 419 HD2 PRO 647 1HD PRO 647 4.528 19.591 -25.076 420 HD3 PRO 647 2HD PRO 647 6.153 19.230 -25.769 421 H GLU 648 H GLU 648 3.478 17.692 -23.115 422 HA GLU 648 HA GLU 648 2.580 15.209 -21.840 423 HB2 GLU 648 1HB GLU 648 4.307 16.133 -20.252 424 HB3 GLU 648 2HB GLU 648 3.397 17.642 -20.197 425 HG2 GLU 648 1HG GLU 648 1.424 15.964 -19.450 426 HG3 GLU 648 2HG GLU 648 2.805 15.012 -18.911 427 H ILE 649 H ILE 649 0.374 15.243 -21.820 428 HA ILE 649 HA ILE 649 -0.917 17.907 -21.406 429 HB ILE 649 HB ILE 649 -2.158 15.407 -22.641 430 HG12 ILE 649 1HG1 ILE 649 -0.561 16.413 -24.215 431 HG13 ILE 649 2HG1 ILE 649 -2.223 16.570 -24.768 432 HG21 ILE 649 1HG2 ILE 649 -3.279 18.202 -22.211 433 HG22 ILE 649 2HG2 ILE 649 -4.092 16.900 -23.117 434 HG23 ILE 649 3HG2 ILE 649 -3.766 16.711 -21.386 435 HD11 ILE 649 1HD1 ILE 649 -0.874 18.627 -25.186 436 HD12 ILE 649 2HD1 ILE 649 -2.272 18.946 -24.148 437 HD13 ILE 649 3HD1 ILE 649 -0.644 18.825 -23.443 438 H ARG 650 H ARG 650 -1.267 17.986 -19.351 439 HA ARG 650 HA ARG 650 -1.258 15.790 -17.497 440 HB2 ARG 650 1HB ARG 650 -1.830 17.481 -15.847 441 HB3 ARG 650 2HB ARG 650 -0.657 18.194 -16.956 442 HG2 ARG 650 1HG ARG 650 -2.711 19.213 -18.231 443 HG3 ARG 650 2HG ARG 650 -3.760 18.706 -16.890 444 HD2 ARG 650 1HD ARG 650 -2.963 21.101 -16.707 445 HD3 ARG 650 2HD ARG 650 -2.398 20.116 -15.337 446 HE ARG 650 HE ARG 650 -0.368 19.974 -17.259 447 HH11 ARG 650 1HH1 ARG 650 -1.842 22.572 -15.370 448 HH12 ARG 650 2HH1 ARG 650 -0.370 23.506 -15.351 449 HH21 ARG 650 1HH2 ARG 650 1.451 21.190 -17.179 450 HH22 ARG 650 2HH2 ARG 650 1.464 22.741 -16.377 451 H LEU 651 H LEU 651 -3.073 14.649 -16.637 452 HA LEU 651 HA LEU 651 -5.435 16.314 -16.529 453 HB2 LEU 651 1HB LEU 651 -5.397 14.028 -18.382 454 HB3 LEU 651 2HB LEU 651 -6.758 14.046 -17.281 455 HG LEU 651 HG LEU 651 -7.786 15.258 -18.837 456 HD11 LEU 651 1HD1 LEU 651 -5.992 17.643 -17.833 457 HD12 LEU 651 2HD1 LEU 651 -7.649 17.165 -17.305 458 HD13 LEU 651 3HD1 LEU 651 -7.411 17.794 -18.935 459 HD21 LEU 651 1HD2 LEU 651 -5.424 16.566 -20.129 460 HD22 LEU 651 2HD2 LEU 651 -6.917 15.931 -20.835 461 HD23 LEU 651 3HD2 LEU 651 -5.626 14.816 -20.331 462 HA PRO 652 HA PRO 652 -5.632 14.496 -12.635 463 HB2 PRO 652 1HB PRO 652 -8.164 14.934 -11.800 464 HB3 PRO 652 2HB PRO 652 -7.099 16.320 -12.201 465 HG2 PRO 652 1HG PRO 652 -9.141 14.925 -13.930 466 HG3 PRO 652 2HG PRO 652 -9.024 16.673 -13.544 467 HD2 PRO 652 1HD PRO 652 -7.979 15.645 -15.807 468 HD3 PRO 652 2HD PRO 652 -7.140 16.963 -14.915 469 H SER 653 H SER 653 -6.688 12.828 -11.238 470 HA SER 653 HA SER 653 -7.051 10.367 -12.535 471 HB2 SER 653 1HB SER 653 -8.025 9.688 -10.309 472 HB3 SER 653 2HB SER 653 -6.462 10.528 -10.214 473 HG SER 653 HG SER 653 -8.169 11.261 -8.734 474 H GLY 654 H GLY 654 -9.434 12.864 -11.902 475 HA2 GLY 654 1HA GLY 654 -11.685 11.046 -12.180 476 HA3 GLY 654 2HA GLY 654 -11.760 12.789 -11.954 477 H SER 655 H SER 655 -9.711 12.294 -14.618 478 HA SER 655 HA SER 655 -11.966 12.973 -16.411 479 HB2 SER 655 1HB SER 655 -10.173 13.211 -18.139 480 HB3 SER 655 2HB SER 655 -9.905 14.228 -16.711 481 HG SER 655 HG SER 655 -8.793 11.639 -16.906 482 H ASP 656 H ASP 656 -13.143 11.308 -17.283 483 HA ASP 656 HA ASP 656 -12.040 8.599 -17.255 484 HB2 ASP 656 1HB ASP 656 -14.200 7.877 -17.726 485 HB3 ASP 656 2HB ASP 656 -14.449 9.281 -16.684 486 H HIS 657 H HIS 657 -12.148 11.187 -19.490 487 HA HIS 657 HA HIS 657 -10.995 9.469 -21.570 488 HB2 HIS 657 1HB HIS 657 -12.456 10.024 -23.303 489 HB3 HIS 657 2HB HIS 657 -13.550 9.648 -21.973 490 HD1 HIS 657 HD1 HIS 657 -12.538 12.373 -24.290 491 HD2 HIS 657 HD2 HIS 657 -14.783 11.975 -20.808 492 HE1 HIS 657 HE1 HIS 657 -13.874 14.500 -24.042 493 H VAL 658 H VAL 658 -10.112 10.986 -23.332 494 HA VAL 658 HA VAL 658 -9.649 13.731 -22.273 495 HB VAL 658 HB VAL 658 -7.654 12.562 -21.559 496 HG11 VAL 658 1HG1 VAL 658 -6.213 11.292 -23.072 497 HG12 VAL 658 2HG1 VAL 658 -7.825 10.566 -22.946 498 HG13 VAL 658 3HG1 VAL 658 -7.392 11.514 -24.382 499 HG21 VAL 658 1HG2 VAL 658 -6.897 13.934 -24.157 500 HG22 VAL 658 2HG2 VAL 658 -7.370 14.798 -22.679 501 HG23 VAL 658 3HG2 VAL 658 -5.927 13.773 -22.679 502 H MET 659 H MET 659 -9.495 15.275 -23.840 503 HA MET 659 HA MET 659 -10.047 14.377 -26.642 504 HB2 MET 659 1HB MET 659 -11.677 15.870 -24.989 505 HB3 MET 659 2HB MET 659 -10.754 17.141 -25.800 506 HG2 MET 659 1HG MET 659 -12.229 14.929 -27.238 507 HG3 MET 659 2HG MET 659 -12.934 16.512 -26.878 508 HE1 MET 659 1HE MET 659 -12.235 16.540 -30.754 509 HE2 MET 659 2HE MET 659 -12.444 15.025 -29.859 510 HE3 MET 659 3HE MET 659 -13.470 16.429 -29.483 511 H LEU 660 H LEU 660 -8.487 14.991 -28.076 512 HA LEU 660 HA LEU 660 -6.417 16.922 -27.052 513 HB2 LEU 660 1HB LEU 660 -6.175 14.689 -29.096 514 HB3 LEU 660 2HB LEU 660 -4.896 15.815 -28.662 515 HG LEU 660 HG LEU 660 -6.100 13.710 -26.832 516 HD11 LEU 660 1HD1 LEU 660 -3.936 12.619 -27.130 517 HD12 LEU 660 2HD1 LEU 660 -3.400 13.920 -28.217 518 HD13 LEU 660 3HD1 LEU 660 -4.736 12.844 -28.695 519 HD21 LEU 660 1HD2 LEU 660 -3.779 15.651 -26.396 520 HD22 LEU 660 2HD2 LEU 660 -4.206 14.300 -25.321 521 HD23 LEU 660 3HD2 LEU 660 -5.332 15.652 -25.523 522 H LYS 661 H LYS 661 -6.035 18.701 -28.207 523 HA LYS 661 HA LYS 661 -7.195 18.919 -30.971 524 HB2 LYS 661 1HB LYS 661 -7.013 20.968 -28.721 525 HB3 LYS 661 2HB LYS 661 -7.211 21.450 -30.407 526 HG2 LYS 661 1HG LYS 661 -9.201 19.449 -29.485 527 HG3 LYS 661 2HG LYS 661 -9.284 21.011 -28.656 528 HD2 LYS 661 1HD LYS 661 -9.553 22.192 -30.778 529 HD3 LYS 661 2HD LYS 661 -9.292 20.688 -31.685 530 HE2 LYS 661 1HE LYS 661 -11.286 19.709 -30.477 531 HE3 LYS 661 2HE LYS 661 -11.609 21.317 -29.816 532 HZ1 LYS 661 1HZ LYS 661 -12.929 20.834 -31.828 533 HZ2 LYS 661 2HZ LYS 661 -11.561 20.660 -32.728 534 HZ3 LYS 661 3HZ LYS 661 -11.941 22.128 -32.081 535 H SER 662 H SER 662 -5.835 20.948 -31.978 536 HA SER 662 HA SER 662 -3.808 21.627 -32.817 537 HB2 SER 662 1HB SER 662 -3.528 22.362 -30.397 538 HB3 SER 662 2HB SER 662 -2.566 20.893 -30.147 539 HG SER 662 HG SER 662 -2.033 23.081 -31.878 540 H LEU 663 H LEU 663 -4.436 19.360 -33.841 541 HA LEU 663 HA LEU 663 -1.887 17.882 -34.082 542 HB2 LEU 663 1HB LEU 663 -3.170 15.740 -34.129 543 HB3 LEU 663 2HB LEU 663 -3.115 16.509 -32.556 544 HG LEU 663 HG LEU 663 -5.491 17.421 -33.118 545 HD11 LEU 663 1HD1 LEU 663 -6.752 15.647 -34.490 546 HD12 LEU 663 2HD1 LEU 663 -5.169 15.235 -35.176 547 HD13 LEU 663 3HD1 LEU 663 -5.822 16.863 -35.385 548 HD21 LEU 663 1HD2 LEU 663 -4.890 14.498 -32.544 549 HD22 LEU 663 2HD2 LEU 663 -6.419 15.322 -32.186 550 HD23 LEU 663 3HD2 LEU 663 -4.935 15.826 -31.361 551 H ASP 664 H ASP 664 -1.982 16.635 -36.219 552 HA ASP 664 HA ASP 664 -3.013 18.453 -38.218 553 HB2 ASP 664 1HB ASP 664 -1.700 15.718 -38.398 554 HB3 ASP 664 2HB ASP 664 -2.237 16.635 -39.815 555 H TRP 665 H TRP 665 -4.854 18.370 -39.359 556 HA TRP 665 HA TRP 665 -6.635 16.011 -38.906 557 HB2 TRP 665 1HB TRP 665 -8.444 17.576 -39.649 558 HB3 TRP 665 2HB TRP 665 -7.648 18.044 -38.144 559 HD1 TRP 665 HD1 TRP 665 -6.206 20.288 -38.156 560 HE1 TRP 665 HE1 TRP 665 -5.997 22.264 -39.731 561 HE3 TRP 665 HE3 TRP 665 -8.521 18.193 -42.214 562 HZ2 TRP 665 HZ2 TRP 665 -6.692 22.862 -42.439 563 HZ3 TRP 665 HZ3 TRP 665 -8.705 19.540 -44.315 564 HH2 TRP 665 HH2 TRP 665 -7.784 21.854 -44.416 565 H ASN 666 H ASN 666 -4.479 17.241 -41.119 566 HA ASN 666 HA ASN 666 -5.986 16.013 -43.398 567 HB2 ASN 666 1HB ASN 666 -5.685 18.591 -43.395 568 HB3 ASN 666 2HB ASN 666 -3.976 18.257 -43.710 569 HD21 ASN 666 1HD2 ASN 666 -4.592 18.122 -47.098 570 HD22 ASN 666 2HD2 ASN 666 -3.595 18.646 -45.762 571 H ALA 667 H ALA 667 -3.777 15.216 -41.331 572 HA ALA 667 HA ALA 667 -2.188 13.651 -43.208 573 HB1 ALA 667 1HB ALA 667 -0.808 15.647 -41.330 574 HB2 ALA 667 2HB ALA 667 -0.008 14.465 -42.385 575 HB3 ALA 667 3HB ALA 667 -0.894 15.830 -43.097 576 H GLU 668 H GLU 668 -0.709 12.233 -41.765 577 HA GLU 668 HA GLU 668 -2.424 11.238 -39.638 578 HB2 GLU 668 1HB GLU 668 0.008 9.798 -39.679 579 HB3 GLU 668 2HB GLU 668 -1.580 9.273 -40.200 580 HG2 GLU 668 1HG GLU 668 0.319 10.770 -42.051 581 HG3 GLU 668 2HG GLU 668 0.359 9.023 -41.829 582 H TYR 669 H TYR 669 -1.840 10.798 -37.511 583 HA TYR 669 HA TYR 669 0.632 12.043 -36.473 584 HB2 TYR 669 1HB TYR 669 -0.600 13.306 -34.768 585 HB3 TYR 669 2HB TYR 669 -1.031 13.858 -36.389 586 HD1 TYR 669 HD1 TYR 669 -3.257 13.363 -37.345 587 HD2 TYR 669 HD2 TYR 669 -2.211 12.193 -33.337 588 HE1 TYR 669 HE1 TYR 669 -5.648 13.014 -36.820 589 HE2 TYR 669 HE2 TYR 669 -4.611 11.858 -32.813 590 HH TYR 669 HH TYR 669 -7.161 12.505 -35.242 591 H GLU 670 H GLU 670 1.004 11.375 -34.225 592 HA GLU 670 HA GLU 670 -0.347 8.769 -33.617 593 HB2 GLU 670 1HB GLU 670 1.833 7.961 -32.824 594 HB3 GLU 670 2HB GLU 670 1.880 8.399 -34.538 595 HG2 GLU 670 1HG GLU 670 2.873 10.638 -33.841 596 HG3 GLU 670 2HG GLU 670 3.040 9.966 -32.214 597 H VAL 671 H VAL 671 -0.713 8.281 -31.473 598 HA VAL 671 HA VAL 671 -0.185 10.479 -29.499 599 HB VAL 671 HB VAL 671 -2.742 8.838 -29.821 600 HG11 VAL 671 1HG1 VAL 671 -2.038 11.044 -27.841 601 HG12 VAL 671 2HG1 VAL 671 -3.663 10.354 -28.057 602 HG13 VAL 671 3HG1 VAL 671 -2.344 9.331 -27.466 603 HG21 VAL 671 1HG2 VAL 671 -3.845 10.997 -30.382 604 HG22 VAL 671 2HG2 VAL 671 -2.253 11.786 -30.393 605 HG23 VAL 671 3HG2 VAL 671 -2.632 10.520 -31.581 606 H TYR 672 H TYR 672 0.726 9.767 -27.656 607 HA TYR 672 HA TYR 672 0.454 6.867 -26.914 608 HB2 TYR 672 1HB TYR 672 2.721 8.859 -26.578 609 HB3 TYR 672 2HB TYR 672 2.554 7.461 -25.507 610 HD1 TYR 672 HD1 TYR 672 3.355 5.337 -26.139 611 HD2 TYR 672 HD2 TYR 672 2.863 8.403 -29.101 612 HE1 TYR 672 HE1 TYR 672 4.416 3.851 -27.826 613 HE2 TYR 672 HE2 TYR 672 3.984 6.923 -30.809 614 HH TYR 672 HH TYR 672 5.076 3.612 -30.005 615 H VAL 673 H VAL 673 -0.225 6.476 -24.807 616 HA VAL 673 HA VAL 673 -0.585 8.834 -23.037 617 HB VAL 673 HB VAL 673 -2.697 8.745 -24.210 618 HG11 VAL 673 1HG1 VAL 673 -2.607 5.759 -23.722 619 HG12 VAL 673 2HG1 VAL 673 -4.116 6.610 -24.128 620 HG13 VAL 673 3HG1 VAL 673 -2.747 6.635 -25.256 621 HG21 VAL 673 1HG2 VAL 673 -3.137 7.362 -21.535 622 HG22 VAL 673 2HG2 VAL 673 -2.779 9.089 -21.734 623 HG23 VAL 673 3HG2 VAL 673 -4.268 8.405 -22.416 624 H VAL 674 H VAL 674 -0.336 8.382 -20.917 625 HA VAL 674 HA VAL 674 -0.239 5.520 -20.086 626 HB VAL 674 HB VAL 674 1.758 6.014 -18.643 627 HG11 VAL 674 1HG1 VAL 674 3.470 6.053 -20.478 628 HG12 VAL 674 2HG1 VAL 674 2.178 4.864 -20.691 629 HG13 VAL 674 3HG1 VAL 674 2.153 6.370 -21.638 630 HG21 VAL 674 1HG2 VAL 674 1.546 8.462 -18.513 631 HG22 VAL 674 2HG2 VAL 674 3.154 7.990 -19.092 632 HG23 VAL 674 3HG2 VAL 674 1.945 8.602 -20.241 633 H ALA 675 H ALA 675 -0.486 5.290 -17.779 634 HA ALA 675 HA ALA 675 -1.977 7.571 -16.530 635 HB1 ALA 675 1HB ALA 675 -3.195 5.387 -17.026 636 HB2 ALA 675 2HB ALA 675 -2.144 4.632 -15.810 637 HB3 ALA 675 3HB ALA 675 -3.235 5.958 -15.348 638 H GLU 676 H GLU 676 -1.482 7.931 -14.293 639 HA GLU 676 HA GLU 676 0.962 6.535 -13.275 640 HB2 GLU 676 1HB GLU 676 1.613 8.703 -14.195 641 HB3 GLU 676 2HB GLU 676 0.343 9.507 -13.286 642 HG2 GLU 676 1HG GLU 676 1.583 9.672 -11.476 643 HG3 GLU 676 2HG GLU 676 2.130 7.983 -11.575 644 H ASN 677 H ASN 677 0.262 5.445 -11.526 645 HA ASN 677 HA ASN 677 -1.985 6.669 -10.003 646 HB2 ASN 677 1HB ASN 677 -2.652 4.599 -9.277 647 HB3 ASN 677 2HB ASN 677 -2.046 4.207 -10.879 648 HD21 ASN 677 1HD2 ASN 677 -0.830 1.848 -8.205 649 HD22 ASN 677 2HD2 ASN 677 -2.409 2.490 -8.613 650 H GLN 678 H GLN 678 -1.560 5.803 -7.461 651 HA GLN 678 HA GLN 678 0.459 7.713 -6.732 652 HB2 GLN 678 1HB GLN 678 -1.771 7.189 -5.651 653 HB3 GLN 678 2HB GLN 678 -0.989 5.775 -4.902 654 HG2 GLN 678 1HG GLN 678 0.603 7.285 -3.759 655 HG3 GLN 678 2HG GLN 678 -0.134 8.680 -4.571 656 HE21 GLN 678 1HE2 GLN 678 -1.587 7.418 -1.087 657 HE22 GLN 678 2HE2 GLN 678 -0.023 6.987 -1.741 658 H GLN 679 H GLN 679 1.025 4.656 -7.810 659 HA GLN 679 HA GLN 679 3.429 4.336 -6.052 660 HB2 GLN 679 1HB GLN 679 1.597 2.288 -7.287 661 HB3 GLN 679 2HB GLN 679 3.241 1.883 -6.792 662 HG2 GLN 679 1HG GLN 679 1.806 1.249 -5.043 663 HG3 GLN 679 2HG GLN 679 2.634 2.714 -4.507 664 HE21 GLN 679 1HE2 GLN 679 -0.420 3.997 -3.553 665 HE22 GLN 679 2HE2 GLN 679 1.234 3.569 -3.189 666 H GLY 680 H GLY 680 2.155 4.224 -9.414 667 HA2 GLY 680 1HA GLY 680 4.694 4.919 -10.489 668 HA3 GLY 680 2HA GLY 680 4.475 3.168 -10.619 669 H LYS 681 H LYS 681 4.814 4.137 -12.928 670 HA LYS 681 HA LYS 681 2.363 5.187 -14.143 671 HB2 LYS 681 1HB LYS 681 5.074 4.404 -15.243 672 HB3 LYS 681 2HB LYS 681 3.758 5.031 -16.236 673 HG2 LYS 681 1HG LYS 681 4.273 6.713 -13.910 674 HG3 LYS 681 2HG LYS 681 5.713 6.506 -14.927 675 HD2 LYS 681 1HD LYS 681 3.848 6.971 -16.850 676 HD3 LYS 681 2HD LYS 681 3.146 7.897 -15.513 677 HE2 LYS 681 1HE LYS 681 5.994 8.110 -16.517 678 HE3 LYS 681 2HE LYS 681 4.682 9.218 -16.956 679 HZ1 LYS 681 1HZ LYS 681 5.629 8.812 -14.175 680 HZ2 LYS 681 2HZ LYS 681 4.550 9.939 -14.677 681 HZ3 LYS 681 3HZ LYS 681 6.129 10.050 -15.149 682 H SER 682 H SER 682 1.399 4.283 -16.012 683 HA SER 682 HA SER 682 1.100 1.340 -15.822 684 HB2 SER 682 1HB SER 682 -0.796 1.624 -17.254 685 HB3 SER 682 2HB SER 682 -0.855 2.984 -16.127 686 HG SER 682 HG SER 682 -0.053 2.952 -18.846 687 H LYS 683 H LYS 683 0.967 0.179 -18.002 688 HA LYS 683 HA LYS 683 3.365 0.728 -19.581 689 HB2 LYS 683 1HB LYS 683 2.150 -1.551 -19.202 690 HB3 LYS 683 2HB LYS 683 1.026 -0.985 -20.447 691 HG2 LYS 683 1HG LYS 683 2.867 -0.782 -22.056 692 HG3 LYS 683 2HG LYS 683 4.027 -1.300 -20.822 693 HD2 LYS 683 1HD LYS 683 1.687 -3.000 -21.778 694 HD3 LYS 683 2HD LYS 683 3.326 -3.093 -22.453 695 HE2 LYS 683 1HE LYS 683 4.203 -3.631 -20.162 696 HE3 LYS 683 2HE LYS 683 2.530 -3.672 -19.565 697 HZ1 LYS 683 1HZ LYS 683 3.640 -5.432 -21.678 698 HZ2 LYS 683 2HZ LYS 683 2.084 -5.469 -21.130 699 HZ3 LYS 683 3HZ LYS 683 3.324 -5.880 -20.122 700 H ALA 684 H ALA 684 3.311 1.600 -21.742 701 HA ALA 684 HA ALA 684 1.294 3.651 -22.116 702 HB1 ALA 684 1HB ALA 684 3.507 2.657 -23.962 703 HB2 ALA 684 2HB ALA 684 2.610 4.186 -24.120 704 HB3 ALA 684 3HB ALA 684 3.693 3.932 -22.731 705 H ALA 685 H ALA 685 -0.076 3.920 -23.853 706 HA ALA 685 HA ALA 685 -0.562 1.558 -25.615 707 HB1 ALA 685 1HB ALA 685 -2.404 1.702 -23.877 708 HB2 ALA 685 2HB ALA 685 -2.705 3.376 -24.395 709 HB3 ALA 685 3HB ALA 685 -2.983 2.035 -25.523 710 H HIS 686 H HIS 686 -0.885 2.297 -27.776 711 HA HIS 686 HA HIS 686 -0.888 5.204 -28.201 712 HB2 HIS 686 1HB HIS 686 0.991 5.062 -29.768 713 HB3 HIS 686 2HB HIS 686 1.434 4.629 -28.119 714 HD1 HIS 686 HD1 HIS 686 1.206 3.164 -31.561 715 HD2 HIS 686 HD2 HIS 686 2.108 1.950 -27.690 716 HE1 HIS 686 HE1 HIS 686 2.283 0.887 -31.746 717 H PHE 687 H PHE 687 -1.588 5.912 -30.220 718 HA PHE 687 HA PHE 687 -2.396 3.840 -32.146 719 HB2 PHE 687 1HB PHE 687 -4.676 4.234 -32.151 720 HB3 PHE 687 2HB PHE 687 -4.294 4.253 -30.426 721 HD1 PHE 687 HD1 PHE 687 -4.105 6.486 -29.217 722 HD2 PHE 687 HD2 PHE 687 -5.626 6.117 -33.225 723 HE1 PHE 687 HE1 PHE 687 -5.255 8.696 -28.985 724 HE2 PHE 687 HE2 PHE 687 -6.762 8.300 -32.999 725 HZ PHE 687 HZ PHE 687 -6.609 9.592 -30.878 726 H VAL 688 H VAL 688 -3.016 4.759 -34.223 727 HA VAL 688 HA VAL 688 -1.811 7.461 -34.682 728 HB VAL 688 HB VAL 688 -1.628 4.963 -36.461 729 HG11 VAL 688 1HG1 VAL 688 -0.090 6.321 -37.863 730 HG12 VAL 688 2HG1 VAL 688 -1.710 7.036 -37.804 731 HG13 VAL 688 3HG1 VAL 688 -0.395 7.735 -36.830 732 HG21 VAL 688 1HG2 VAL 688 0.830 5.080 -35.984 733 HG22 VAL 688 2HG2 VAL 688 0.512 6.364 -34.795 734 HG23 VAL 688 3HG2 VAL 688 -0.134 4.728 -34.539 735 H PHE 689 H PHE 689 -3.018 8.765 -36.112 736 HA PHE 689 HA PHE 689 -5.398 7.555 -37.404 737 HB2 PHE 689 1HB PHE 689 -5.974 8.183 -35.025 738 HB3 PHE 689 2HB PHE 689 -5.619 9.857 -35.439 739 HD1 PHE 689 HD1 PHE 689 -7.202 11.191 -36.690 740 HD2 PHE 689 HD2 PHE 689 -7.894 6.989 -36.090 741 HE1 PHE 689 HE1 PHE 689 -9.546 11.478 -37.448 742 HE2 PHE 689 HE2 PHE 689 -10.242 7.263 -36.879 743 HZ PHE 689 HZ PHE 689 -11.067 9.515 -37.570 744 H ARG 690 H ARG 690 -6.457 9.034 -38.880 745 HA ARG 690 HA ARG 690 -5.269 11.637 -39.494 746 HB2 ARG 690 1HB ARG 690 -5.273 10.658 -42.037 747 HB3 ARG 690 2HB ARG 690 -3.839 10.875 -41.075 748 HG2 ARG 690 1HG ARG 690 -3.328 8.754 -41.524 749 HG3 ARG 690 2HG ARG 690 -4.581 8.247 -40.443 750 HD2 ARG 690 1HD ARG 690 -5.256 7.146 -42.340 751 HD3 ARG 690 2HD ARG 690 -6.100 8.689 -42.618 752 HE ARG 690 HE ARG 690 -3.389 8.808 -43.602 753 HH11 ARG 690 1HH1 ARG 690 -6.528 7.425 -44.502 754 HH12 ARG 690 2HH1 ARG 690 -6.122 7.413 -46.199 755 HH21 ARG 690 1HH2 ARG 690 -2.959 8.739 -45.724 756 HH22 ARG 690 2HH2 ARG 690 -4.132 8.154 -46.886 757 H THR 691 H THR 691 -6.760 12.746 -40.991 758 HA THR 691 HA THR 691 -9.265 11.328 -41.620 759 HB THR 691 HB THR 691 -9.598 12.167 -39.278 760 HG1 THR 691 HG1 THR 691 -11.598 13.055 -39.744 761 HG21 THR 691 1HG2 THR 691 -9.438 14.935 -40.498 762 HG22 THR 691 2HG2 THR 691 -8.197 14.219 -39.442 763 HG23 THR 691 3HG2 THR 691 -9.831 14.520 -38.815 764 H HIS 692 H HIS 692 -10.753 13.330 -42.525 765 HA HIS 692 HA HIS 692 -11.140 14.680 -44.289 766 HB2 HIS 692 1HB HIS 692 -9.535 16.175 -42.989 767 HB3 HIS 692 2HB HIS 692 -8.308 15.714 -44.176 768 HD1 HIS 692 HD1 HIS 692 -11.591 17.610 -43.902 769 HD2 HIS 692 HD2 HIS 692 -8.521 16.951 -46.631 770 HE1 HIS 692 HE1 HIS 692 -11.960 19.219 -45.813 771 H HIS 693 H HIS 693 -8.554 12.446 -44.512 772 HA HIS 693 HA HIS 693 -8.078 12.671 -47.351 773 HB2 HIS 693 1HB HIS 693 -6.528 11.648 -45.655 774 HB3 HIS 693 2HB HIS 693 -7.668 10.315 -45.468 775 HD1 HIS 693 HD1 HIS 693 -5.006 11.626 -47.754 776 HD2 HIS 693 HD2 HIS 693 -7.819 8.564 -47.681 777 HE1 HIS 693 HE1 HIS 693 -4.360 10.001 -49.580 778 H HIS 694 H HIS 694 -10.172 12.773 -48.248 779 HA HIS 694 HA HIS 694 -11.753 10.221 -48.189 780 HB2 HIS 694 1HB HIS 694 -13.693 11.583 -48.684 781 HB3 HIS 694 2HB HIS 694 -12.886 12.256 -47.262 782 HD1 HIS 694 HD1 HIS 694 -11.518 14.556 -47.684 783 HD2 HIS 694 HD2 HIS 694 -13.885 13.254 -50.844 784 HE1 HIS 694 HE1 HIS 694 -11.762 16.512 -49.254 785 H HIS 695 H HIS 695 -9.443 11.583 -49.895 786 HA HIS 695 HA HIS 695 -10.644 11.938 -52.491 787 HB2 HIS 695 1HB HIS 695 -7.716 11.543 -51.842 788 HB3 HIS 695 2HB HIS 695 -8.427 12.408 -53.212 789 HD1 HIS 695 HD1 HIS 695 -10.111 14.547 -52.188 790 HD2 HIS 695 HD2 HIS 695 -6.830 13.246 -49.990 791 HE1 HIS 695 HE1 HIS 695 -9.541 16.397 -50.564 792 H HIS 696 H HIS 696 -10.125 10.790 -54.391 793 HA HIS 696 HA HIS 696 -9.495 7.887 -53.989 794 HB2 HIS 696 1HB HIS 696 -10.973 7.540 -55.989 795 HB3 HIS 696 2HB HIS 696 -11.830 8.154 -54.572 796 HD1 HIS 696 HD1 HIS 696 -10.310 9.578 -57.795 797 HD2 HIS 696 HD2 HIS 696 -13.335 10.337 -55.047 798 HE1 HIS 696 HE1 HIS 696 -11.601 11.560 -58.672 799 H HIS 697 H HIS 697 -7.599 9.969 -54.294 800 HA HIS 697 HA HIS 697 -6.819 9.999 -57.154 801 HB2 HIS 697 1HB HIS 697 -5.577 11.419 -54.769 802 HB3 HIS 697 2HB HIS 697 -5.240 11.727 -56.477 803 HD1 HIS 697 HD1 HIS 697 -6.202 14.047 -54.676 804 HD2 HIS 697 HD2 HIS 697 -8.754 11.648 -56.917 805 HE1 HIS 697 HE1 HIS 697 -8.327 15.368 -55.015 Start of MODEL 6 1 H1 MET 595 1H MET 595 7.002 -1.418 -3.680 2 H2 MET 595 2H MET 595 5.987 -0.117 -3.723 3 H3 MET 595 3H MET 595 5.716 -1.336 -2.648 4 HA MET 595 HA MET 595 4.167 -1.453 -4.477 5 HB2 MET 595 1HB MET 595 5.206 -2.163 -6.709 6 HB3 MET 595 2HB MET 595 5.321 -0.456 -6.251 7 HG2 MET 595 1HG MET 595 7.669 -0.786 -5.536 8 HG3 MET 595 2HG MET 595 7.568 -2.502 -5.977 9 HE1 MET 595 1HE MET 595 9.430 -2.686 -7.740 10 HE2 MET 595 2HE MET 595 9.769 -1.421 -8.944 11 HE3 MET 595 3HE MET 595 9.942 -1.063 -7.211 12 H GLN 596 H GLN 596 3.759 -3.141 -2.915 13 HA GLN 596 HA GLN 596 4.556 -5.770 -4.027 14 HB2 GLN 596 1HB GLN 596 4.902 -4.965 -1.128 15 HB3 GLN 596 2HB GLN 596 4.731 -6.646 -1.629 16 HG2 GLN 596 1HG GLN 596 6.929 -4.746 -2.536 17 HG3 GLN 596 2HG GLN 596 7.086 -6.001 -1.302 18 HE21 GLN 596 1HE2 GLN 596 8.162 -7.078 -4.834 19 HE22 GLN 596 2HE2 GLN 596 8.352 -5.536 -4.039 20 HA PRO 597 HA PRO 597 0.476 -6.519 -2.077 21 HB2 PRO 597 1HB PRO 597 -0.901 -4.854 -0.451 22 HB3 PRO 597 2HB PRO 597 0.399 -5.913 0.189 23 HG2 PRO 597 1HG PRO 597 0.528 -3.019 -0.590 24 HG3 PRO 597 2HG PRO 597 1.074 -3.804 0.923 25 HD2 PRO 597 1HD PRO 597 2.772 -3.237 -1.136 26 HD3 PRO 597 2HD PRO 597 2.983 -4.675 -0.079 27 H VAL 598 H VAL 598 1.361 -3.503 -3.340 28 HA VAL 598 HA VAL 598 -1.150 -3.305 -4.907 29 HB VAL 598 HB VAL 598 -1.457 -1.435 -3.500 30 HG11 VAL 598 1HG1 VAL 598 1.564 -1.058 -3.502 31 HG12 VAL 598 2HG1 VAL 598 0.420 0.110 -2.805 32 HG13 VAL 598 3HG1 VAL 598 0.518 -1.522 -2.138 33 HG21 VAL 598 1HG2 VAL 598 0.305 -0.289 -5.707 34 HG22 VAL 598 2HG2 VAL 598 -1.401 -0.726 -5.889 35 HG23 VAL 598 3HG2 VAL 598 -0.937 0.570 -4.777 36 H ARG 599 H ARG 599 -0.782 -3.142 -7.023 37 HA ARG 599 HA ARG 599 2.052 -2.959 -7.945 38 HB2 ARG 599 1HB ARG 599 1.326 -4.241 -9.905 39 HB3 ARG 599 2HB ARG 599 1.016 -5.131 -8.414 40 HG2 ARG 599 1HG ARG 599 -1.306 -4.842 -8.562 41 HG3 ARG 599 2HG ARG 599 -1.170 -3.479 -9.689 42 HD2 ARG 599 1HD ARG 599 -0.407 -4.944 -11.469 43 HD3 ARG 599 2HD ARG 599 -0.357 -6.325 -10.356 44 HE ARG 599 HE ARG 599 -2.648 -6.561 -10.519 45 HH11 ARG 599 1HH1 ARG 599 -1.810 -3.432 -12.007 46 HH12 ARG 599 2HH1 ARG 599 -3.445 -3.226 -12.603 47 HH21 ARG 599 1HH2 ARG 599 -4.663 -6.185 -11.361 48 HH22 ARG 599 2HH2 ARG 599 -4.995 -4.705 -12.236 49 H GLU 600 H GLU 600 2.090 -2.297 -10.324 50 HA GLU 600 HA GLU 600 1.247 0.436 -10.475 51 HB2 GLU 600 1HB GLU 600 2.474 -1.457 -12.520 52 HB3 GLU 600 2HB GLU 600 2.322 0.288 -12.707 53 HG2 GLU 600 1HG GLU 600 3.640 0.488 -10.532 54 HG3 GLU 600 2HG GLU 600 4.031 -1.222 -10.737 55 HA PRO 601 HA PRO 601 -2.578 -0.023 -12.556 56 HB2 PRO 601 1HB PRO 601 -2.747 2.191 -14.144 57 HB3 PRO 601 2HB PRO 601 -2.785 2.254 -12.360 58 HG2 PRO 601 1HG PRO 601 -0.539 2.755 -14.215 59 HG3 PRO 601 2HG PRO 601 -1.056 3.684 -12.796 60 HD2 PRO 601 1HD PRO 601 1.009 1.899 -12.809 61 HD3 PRO 601 2HD PRO 601 0.037 2.270 -11.358 62 H SER 602 H SER 602 -3.784 0.014 -14.624 63 HA SER 602 HA SER 602 -2.418 -1.749 -16.514 64 HB2 SER 602 1HB SER 602 -5.292 -0.764 -16.360 65 HB3 SER 602 2HB SER 602 -4.696 -2.089 -17.381 66 HG SER 602 HG SER 602 -5.651 -2.397 -15.050 67 H ALA 603 H ALA 603 -2.520 -1.423 -18.824 68 HA ALA 603 HA ALA 603 -1.836 1.212 -19.645 69 HB1 ALA 603 1HB ALA 603 -2.838 -1.119 -21.358 70 HB2 ALA 603 2HB ALA 603 -1.937 0.300 -21.938 71 HB3 ALA 603 3HB ALA 603 -1.144 -0.870 -20.863 72 HA PRO 604 HA PRO 604 -5.890 2.922 -19.978 73 HB2 PRO 604 1HB PRO 604 -5.539 4.918 -21.812 74 HB3 PRO 604 2HB PRO 604 -4.848 4.987 -20.157 75 HG2 PRO 604 1HG PRO 604 -3.559 4.110 -22.700 76 HG3 PRO 604 2HG PRO 604 -2.979 5.286 -21.489 77 HD2 PRO 604 1HD PRO 604 -2.095 2.768 -21.515 78 HD3 PRO 604 2HD PRO 604 -2.408 3.631 -19.966 79 H LYS 605 H LYS 605 -7.699 3.254 -21.424 80 HA LYS 605 HA LYS 605 -7.825 1.118 -23.443 81 HB2 LYS 605 1HB LYS 605 -9.922 3.045 -22.341 82 HB3 LYS 605 2HB LYS 605 -10.248 1.739 -23.485 83 HG2 LYS 605 1HG LYS 605 -10.809 0.631 -21.567 84 HG3 LYS 605 2HG LYS 605 -9.080 0.259 -21.590 85 HD2 LYS 605 1HD LYS 605 -9.072 2.633 -20.203 86 HD3 LYS 605 2HD LYS 605 -10.646 1.983 -19.724 87 HE2 LYS 605 1HE LYS 605 -8.009 0.450 -19.560 88 HE3 LYS 605 2HE LYS 605 -8.738 1.328 -18.203 89 HZ1 LYS 605 1HZ LYS 605 -9.295 -1.023 -18.159 90 HZ2 LYS 605 2HZ LYS 605 -10.022 -0.924 -19.638 91 HZ3 LYS 605 3HZ LYS 605 -10.662 -0.116 -18.345 92 H LEU 606 H LEU 606 -8.865 1.617 -25.626 93 HA LEU 606 HA LEU 606 -8.548 4.404 -26.489 94 HB2 LEU 606 1HB LEU 606 -6.273 3.407 -26.681 95 HB3 LEU 606 2HB LEU 606 -6.914 2.159 -27.734 96 HG LEU 606 HG LEU 606 -5.604 4.143 -28.735 97 HD11 LEU 606 1HD1 LEU 606 -8.274 3.399 -29.980 98 HD12 LEU 606 2HD1 LEU 606 -6.762 2.486 -30.117 99 HD13 LEU 606 3HD1 LEU 606 -6.882 4.111 -30.818 100 HD21 LEU 606 1HD2 LEU 606 -6.809 5.943 -27.606 101 HD22 LEU 606 2HD2 LEU 606 -8.306 5.501 -28.449 102 HD23 LEU 606 3HD2 LEU 606 -6.923 6.102 -29.368 103 H GLU 607 H GLU 607 -10.374 4.778 -27.544 104 HA GLU 607 HA GLU 607 -11.536 2.557 -29.160 105 HB2 GLU 607 1HB GLU 607 -13.040 5.000 -28.235 106 HB3 GLU 607 2HB GLU 607 -13.679 3.451 -28.790 107 HG2 GLU 607 1HG GLU 607 -12.329 4.098 -26.162 108 HG3 GLU 607 2HG GLU 607 -13.994 3.575 -26.410 109 H GLY 608 H GLY 608 -9.813 5.430 -29.486 110 HA2 GLY 608 1HA GLY 608 -9.249 6.667 -31.336 111 HA3 GLY 608 2HA GLY 608 -9.836 5.296 -32.276 112 H GLN 609 H GLN 609 -11.782 7.524 -30.246 113 HA GLN 609 HA GLN 609 -13.646 7.746 -32.496 114 HB2 GLN 609 1HB GLN 609 -13.645 8.938 -29.707 115 HB3 GLN 609 2HB GLN 609 -14.964 9.128 -30.872 116 HG2 GLN 609 1HG GLN 609 -13.945 6.483 -29.749 117 HG3 GLN 609 2HG GLN 609 -15.419 7.318 -29.238 118 HE21 GLN 609 1HE2 GLN 609 -15.559 4.761 -32.263 119 HE22 GLN 609 2HE2 GLN 609 -14.246 4.874 -31.110 120 H MET 610 H MET 610 -13.322 9.119 -34.090 121 HA MET 610 HA MET 610 -11.413 11.199 -34.052 122 HB2 MET 610 1HB MET 610 -12.231 11.794 -36.207 123 HB3 MET 610 2HB MET 610 -12.276 10.036 -36.052 124 HG2 MET 610 1HG MET 610 -14.723 10.167 -35.601 125 HG3 MET 610 2HG MET 610 -14.642 11.922 -35.862 126 HE1 MET 610 1HE MET 610 -13.130 8.641 -37.704 127 HE2 MET 610 2HE MET 610 -14.876 8.404 -37.446 128 HE3 MET 610 3HE MET 610 -14.240 8.617 -39.093 129 H GLY 611 H GLY 611 -11.592 13.480 -34.226 130 HA2 GLY 611 1HA GLY 611 -13.597 14.522 -32.359 131 HA3 GLY 611 2HA GLY 611 -12.226 15.399 -33.048 132 H GLU 612 H GLU 612 -15.413 15.523 -32.863 133 HA GLU 612 HA GLU 612 -16.169 15.864 -35.657 134 HB2 GLU 612 1HB GLU 612 -18.295 16.660 -34.754 135 HB3 GLU 612 2HB GLU 612 -17.818 15.143 -34.000 136 HG2 GLU 612 1HG GLU 612 -17.373 17.836 -32.651 137 HG3 GLU 612 2HG GLU 612 -18.869 16.912 -32.483 138 H ASP 613 H ASP 613 -14.779 17.811 -33.139 139 HA ASP 613 HA ASP 613 -15.370 20.421 -34.234 140 HB2 ASP 613 1HB ASP 613 -13.101 19.363 -32.494 141 HB3 ASP 613 2HB ASP 613 -13.295 21.071 -32.907 142 H GLY 614 H GLY 614 -13.244 17.846 -35.134 143 HA2 GLY 614 1HA GLY 614 -11.680 17.711 -36.857 144 HA3 GLY 614 2HA GLY 614 -11.995 19.421 -37.258 145 H ASN 615 H ASN 615 -9.349 18.435 -37.167 146 HA ASN 615 HA ASN 615 -7.280 18.848 -36.232 147 HB2 ASN 615 1HB ASN 615 -8.556 21.176 -36.505 148 HB3 ASN 615 2HB ASN 615 -8.428 21.205 -34.743 149 HD21 ASN 615 1HD2 ASN 615 -4.865 21.508 -34.804 150 HD22 ASN 615 2HD2 ASN 615 -6.188 20.769 -33.914 151 H SER 616 H SER 616 -9.172 17.110 -34.726 152 HA SER 616 HA SER 616 -7.885 17.072 -32.098 153 HB2 SER 616 1HB SER 616 -10.042 17.361 -30.906 154 HB3 SER 616 2HB SER 616 -9.571 18.817 -31.804 155 HG SER 616 HG SER 616 -11.090 18.446 -33.294 156 H ILE 617 H ILE 617 -8.779 15.299 -30.694 157 HA ILE 617 HA ILE 617 -10.553 13.324 -31.916 158 HB ILE 617 HB ILE 617 -8.335 12.866 -32.976 159 HG12 ILE 617 1HG1 ILE 617 -9.000 10.505 -31.247 160 HG13 ILE 617 2HG1 ILE 617 -10.239 11.188 -32.292 161 HG21 ILE 617 1HG2 ILE 617 -6.507 11.851 -31.706 162 HG22 ILE 617 2HG2 ILE 617 -6.886 13.428 -30.996 163 HG23 ILE 617 3HG2 ILE 617 -7.444 11.941 -30.201 164 HD11 ILE 617 1HD1 ILE 617 -8.927 10.781 -34.256 165 HD12 ILE 617 2HD1 ILE 617 -7.563 10.217 -33.267 166 HD13 ILE 617 3HD1 ILE 617 -9.076 9.283 -33.313 167 H LYS 618 H LYS 618 -11.226 11.646 -30.426 168 HA LYS 618 HA LYS 618 -10.556 12.294 -27.575 169 HB2 LYS 618 1HB LYS 618 -12.885 10.622 -28.563 170 HB3 LYS 618 2HB LYS 618 -12.633 11.276 -26.953 171 HG2 LYS 618 1HG LYS 618 -14.224 12.723 -27.686 172 HG3 LYS 618 2HG LYS 618 -12.804 13.605 -28.277 173 HD2 LYS 618 1HD LYS 618 -13.098 12.747 -30.501 174 HD3 LYS 618 2HD LYS 618 -14.271 11.547 -29.974 175 HE2 LYS 618 1HE LYS 618 -14.653 14.548 -30.007 176 HE3 LYS 618 2HE LYS 618 -15.283 13.404 -31.190 177 HZ1 LYS 618 1HZ LYS 618 -16.655 12.466 -29.438 178 HZ2 LYS 618 2HZ LYS 618 -16.978 14.064 -29.709 179 HZ3 LYS 618 3HZ LYS 618 -16.111 13.606 -28.375 180 H VAL 619 H VAL 619 -9.336 10.862 -26.519 181 HA VAL 619 HA VAL 619 -9.283 8.035 -27.521 182 HB VAL 619 HB VAL 619 -7.063 8.256 -27.823 183 HG11 VAL 619 1HG1 VAL 619 -7.279 10.658 -28.155 184 HG12 VAL 619 2HG1 VAL 619 -7.163 10.947 -26.398 185 HG13 VAL 619 3HG1 VAL 619 -5.772 10.303 -27.291 186 HG21 VAL 619 1HG2 VAL 619 -5.557 8.276 -25.886 187 HG22 VAL 619 2HG2 VAL 619 -6.881 8.823 -24.837 188 HG23 VAL 619 3HG2 VAL 619 -6.950 7.217 -25.594 189 H ASN 620 H ASN 620 -9.543 6.490 -25.823 190 HA ASN 620 HA ASN 620 -11.054 7.645 -23.614 191 HB2 ASN 620 1HB ASN 620 -10.734 4.983 -24.831 192 HB3 ASN 620 2HB ASN 620 -10.913 4.973 -23.075 193 HD21 ASN 620 1HD2 ASN 620 -13.970 6.554 -25.298 194 HD22 ASN 620 2HD2 ASN 620 -12.327 6.706 -25.861 195 H LEU 621 H LEU 621 -10.768 7.106 -21.402 196 HA LEU 621 HA LEU 621 -7.934 6.566 -20.709 197 HB2 LEU 621 1HB LEU 621 -9.196 8.985 -20.548 198 HB3 LEU 621 2HB LEU 621 -9.496 8.345 -18.943 199 HG LEU 621 HG LEU 621 -7.219 8.409 -18.393 200 HD11 LEU 621 1HD1 LEU 621 -6.602 8.702 -21.346 201 HD12 LEU 621 2HD1 LEU 621 -6.070 7.418 -20.237 202 HD13 LEU 621 3HD1 LEU 621 -5.428 9.057 -20.055 203 HD21 LEU 621 1HD2 LEU 621 -7.863 10.751 -20.232 204 HD22 LEU 621 2HD2 LEU 621 -6.647 10.765 -18.943 205 HD23 LEU 621 3HD2 LEU 621 -8.357 10.571 -18.541 206 H ILE 622 H ILE 622 -7.949 6.282 -18.156 207 HA ILE 622 HA ILE 622 -9.429 3.814 -17.729 208 HB ILE 622 HB ILE 622 -7.375 5.462 -16.280 209 HG12 ILE 622 1HG1 ILE 622 -6.967 2.589 -16.584 210 HG13 ILE 622 2HG1 ILE 622 -7.327 3.375 -18.121 211 HG21 ILE 622 1HG2 ILE 622 -8.774 4.780 -14.440 212 HG22 ILE 622 2HG2 ILE 622 -8.805 3.112 -15.043 213 HG23 ILE 622 3HG2 ILE 622 -7.299 3.798 -14.456 214 HD11 ILE 622 1HD1 ILE 622 -4.942 3.274 -17.729 215 HD12 ILE 622 2HD1 ILE 622 -5.507 4.967 -17.736 216 HD13 ILE 622 3HD1 ILE 622 -5.139 4.144 -16.195 217 H LYS 623 H LYS 623 -11.370 3.611 -16.892 218 HA LYS 623 HA LYS 623 -12.475 5.862 -15.303 219 HB2 LYS 623 1HB LYS 623 -14.639 5.506 -16.313 220 HB3 LYS 623 2HB LYS 623 -13.438 5.803 -17.562 221 HG2 LYS 623 1HG LYS 623 -14.191 2.955 -16.853 222 HG3 LYS 623 2HG LYS 623 -15.269 3.922 -17.863 223 HD2 LYS 623 1HD LYS 623 -12.390 3.793 -18.690 224 HD3 LYS 623 2HD LYS 623 -13.386 2.347 -18.896 225 HE2 LYS 623 1HE LYS 623 -13.710 3.412 -20.920 226 HE3 LYS 623 2HE LYS 623 -15.108 3.978 -19.982 227 HZ1 LYS 623 1HZ LYS 623 -13.793 5.679 -21.290 228 HZ2 LYS 623 2HZ LYS 623 -12.619 5.554 -20.133 229 HZ3 LYS 623 3HZ LYS 623 -14.139 6.064 -19.722 230 H GLN 624 H GLN 624 -11.230 3.125 -14.637 231 HA GLN 624 HA GLN 624 -13.164 2.433 -12.528 232 HB2 GLN 624 1HB GLN 624 -13.359 0.138 -13.111 233 HB3 GLN 624 2HB GLN 624 -13.759 1.034 -14.573 234 HG2 GLN 624 1HG GLN 624 -11.103 -0.348 -14.012 235 HG3 GLN 624 2HG GLN 624 -12.394 -0.989 -15.020 236 HE21 GLN 624 1HE2 GLN 624 -9.715 1.676 -16.472 237 HE22 GLN 624 2HE2 GLN 624 -9.749 1.233 -14.786 238 H ASP 625 H ASP 625 -11.903 0.599 -11.114 239 HA ASP 625 HA ASP 625 -9.282 1.745 -10.621 240 HB2 ASP 625 1HB ASP 625 -9.092 0.051 -8.880 241 HB3 ASP 625 2HB ASP 625 -10.676 0.837 -8.792 242 H ASP 626 H ASP 626 -7.265 0.835 -11.001 243 HA ASP 626 HA ASP 626 -7.250 -1.221 -13.170 244 HB2 ASP 626 1HB ASP 626 -5.338 0.957 -12.282 245 HB3 ASP 626 2HB ASP 626 -4.786 -0.416 -13.238 246 H GLY 627 H GLY 627 -6.213 -0.608 -9.895 247 HA2 GLY 627 1HA GLY 627 -5.186 -3.287 -9.619 248 HA3 GLY 627 2HA GLY 627 -3.879 -2.085 -9.725 249 H GLY 628 H GLY 628 -3.128 -1.939 -7.747 250 HA2 GLY 628 1HA GLY 628 -4.966 -2.160 -5.453 251 HA3 GLY 628 2HA GLY 628 -3.207 -2.191 -5.393 252 H SER 629 H SER 629 -4.275 0.442 -7.243 253 HA SER 629 HA SER 629 -4.701 2.259 -4.988 254 HB2 SER 629 1HB SER 629 -2.263 2.191 -4.971 255 HB3 SER 629 2HB SER 629 -2.206 2.387 -6.730 256 HG SER 629 HG SER 629 -3.208 4.292 -4.875 257 HA PRO 630 HA PRO 630 -6.911 3.861 -8.487 258 HB2 PRO 630 1HB PRO 630 -7.676 6.319 -7.586 259 HB3 PRO 630 2HB PRO 630 -8.402 4.811 -6.942 260 HG2 PRO 630 1HG PRO 630 -6.151 6.458 -5.809 261 HG3 PRO 630 2HG PRO 630 -7.642 5.878 -4.997 262 HD2 PRO 630 1HD PRO 630 -5.302 4.552 -4.764 263 HD3 PRO 630 2HD PRO 630 -6.862 3.667 -4.896 264 H ILE 631 H ILE 631 -6.631 5.443 -10.166 265 HA ILE 631 HA ILE 631 -3.906 6.157 -10.634 266 HB ILE 631 HB ILE 631 -6.546 6.632 -12.017 267 HG12 ILE 631 1HG1 ILE 631 -5.258 5.773 -13.966 268 HG13 ILE 631 2HG1 ILE 631 -3.792 5.742 -12.982 269 HG21 ILE 631 1HG2 ILE 631 -5.425 8.108 -13.704 270 HG22 ILE 631 2HG2 ILE 631 -5.602 8.892 -12.142 271 HG23 ILE 631 3HG2 ILE 631 -4.025 8.242 -12.653 272 HD11 ILE 631 1HD1 ILE 631 -4.673 3.960 -11.612 273 HD12 ILE 631 2HD1 ILE 631 -6.263 4.082 -12.407 274 HD13 ILE 631 3HD1 ILE 631 -4.846 3.529 -13.321 275 H ARG 632 H ARG 632 -2.823 8.053 -10.409 276 HA ARG 632 HA ARG 632 -4.130 10.102 -8.683 277 HB2 ARG 632 1HB ARG 632 -1.289 9.313 -9.308 278 HB3 ARG 632 2HB ARG 632 -1.634 10.995 -8.913 279 HG2 ARG 632 1HG ARG 632 -2.852 10.048 -6.800 280 HG3 ARG 632 2HG ARG 632 -1.945 8.547 -7.113 281 HD2 ARG 632 1HD ARG 632 -0.675 9.909 -5.571 282 HD3 ARG 632 2HD ARG 632 0.164 9.926 -7.137 283 HE ARG 632 HE ARG 632 -1.583 12.140 -7.103 284 HH11 ARG 632 1HH1 ARG 632 1.301 11.114 -5.350 285 HH12 ARG 632 2HH1 ARG 632 1.807 12.752 -5.040 286 HH21 ARG 632 1HH2 ARG 632 -0.873 14.192 -6.695 287 HH22 ARG 632 2HH2 ARG 632 0.587 14.467 -5.779 288 H HIS 633 H HIS 633 -2.196 9.824 -11.734 289 HA HIS 633 HA HIS 633 -3.722 12.143 -12.809 290 HB2 HIS 633 1HB HIS 633 -0.710 11.988 -13.094 291 HB3 HIS 633 2HB HIS 633 -1.772 13.352 -13.450 292 HD1 HIS 633 HD1 HIS 633 0.596 12.262 -11.001 293 HD2 HIS 633 HD2 HIS 633 -3.030 14.287 -10.829 294 HE1 HIS 633 HE1 HIS 633 0.551 13.454 -8.792 295 H TYR 634 H TYR 634 -3.302 12.461 -15.173 296 HA TYR 634 HA TYR 634 -2.384 9.955 -16.552 297 HB2 TYR 634 1HB TYR 634 -4.495 11.950 -17.427 298 HB3 TYR 634 2HB TYR 634 -3.901 10.595 -18.393 299 HD1 TYR 634 HD1 TYR 634 -6.388 11.660 -16.108 300 HD2 TYR 634 HD2 TYR 634 -4.106 8.226 -17.290 301 HE1 TYR 634 HE1 TYR 634 -8.101 10.186 -15.089 302 HE2 TYR 634 HE2 TYR 634 -5.799 6.746 -16.215 303 HH TYR 634 HH TYR 634 -8.777 8.028 -14.721 304 H LEU 635 H LEU 635 -1.053 10.224 -18.300 305 HA LEU 635 HA LEU 635 -0.138 13.015 -18.849 306 HB2 LEU 635 1HB LEU 635 1.715 10.630 -18.738 307 HB3 LEU 635 2HB LEU 635 2.134 12.331 -18.746 308 HG LEU 635 HG LEU 635 0.729 12.186 -16.396 309 HD11 LEU 635 1HD1 LEU 635 1.418 10.156 -15.173 310 HD12 LEU 635 2HD1 LEU 635 2.169 9.502 -16.647 311 HD13 LEU 635 3HD1 LEU 635 0.412 9.721 -16.563 312 HD21 LEU 635 1HD2 LEU 635 2.866 13.206 -16.526 313 HD22 LEU 635 2HD2 LEU 635 3.669 11.662 -16.858 314 HD23 LEU 635 3HD2 LEU 635 2.943 11.976 -15.256 315 H VAL 636 H VAL 636 -0.133 13.459 -21.037 316 HA VAL 636 HA VAL 636 -0.218 11.114 -22.919 317 HB VAL 636 HB VAL 636 -1.714 13.724 -23.397 318 HG11 VAL 636 1HG1 VAL 636 -1.840 10.966 -24.670 319 HG12 VAL 636 2HG1 VAL 636 -3.027 12.246 -24.980 320 HG13 VAL 636 3HG1 VAL 636 -1.326 12.492 -25.432 321 HG21 VAL 636 1HG2 VAL 636 -3.803 12.425 -22.777 322 HG22 VAL 636 2HG2 VAL 636 -2.744 11.191 -22.071 323 HG23 VAL 636 3HG2 VAL 636 -2.754 12.843 -21.412 324 H ARG 637 H ARG 637 0.893 11.320 -24.880 325 HA ARG 637 HA ARG 637 2.284 13.923 -25.398 326 HB2 ARG 637 1HB ARG 637 3.726 12.166 -24.137 327 HB3 ARG 637 2HB ARG 637 3.653 11.225 -25.634 328 HG2 ARG 637 1HG ARG 637 4.522 13.362 -26.774 329 HG3 ARG 637 2HG ARG 637 4.901 13.910 -25.141 330 HD2 ARG 637 1HD ARG 637 6.235 11.820 -24.815 331 HD3 ARG 637 2HD ARG 637 5.941 11.436 -26.527 332 HE ARG 637 HE ARG 637 7.065 14.097 -25.978 333 HH11 ARG 637 1HH1 ARG 637 7.799 10.765 -26.896 334 HH12 ARG 637 2HH1 ARG 637 9.371 11.184 -27.519 335 HH21 ARG 637 1HH2 ARG 637 9.082 14.552 -26.788 336 HH22 ARG 637 2HH2 ARG 637 10.078 13.292 -27.465 337 H TYR 638 H TYR 638 2.335 14.375 -27.652 338 HA TYR 638 HA TYR 638 1.832 12.154 -29.514 339 HB2 TYR 638 1HB TYR 638 -0.109 13.188 -30.560 340 HB3 TYR 638 2HB TYR 638 -0.430 12.809 -28.871 341 HD1 TYR 638 HD1 TYR 638 -0.591 15.330 -31.405 342 HD2 TYR 638 HD2 TYR 638 -0.198 14.808 -27.147 343 HE1 TYR 638 HE1 TYR 638 -1.406 17.655 -31.027 344 HE2 TYR 638 HE2 TYR 638 -0.987 17.144 -26.803 345 HH TYR 638 HH TYR 638 -2.211 19.151 -29.435 346 H ARG 639 H ARG 639 2.038 12.737 -31.778 347 HA ARG 639 HA ARG 639 3.415 15.298 -32.423 348 HB2 ARG 639 1HB ARG 639 5.305 14.086 -31.732 349 HB3 ARG 639 2HB ARG 639 4.712 12.569 -32.326 350 HG2 ARG 639 1HG ARG 639 5.320 14.625 -34.388 351 HG3 ARG 639 2HG ARG 639 6.690 13.977 -33.484 352 HD2 ARG 639 1HD ARG 639 6.515 11.908 -34.401 353 HD3 ARG 639 2HD ARG 639 4.744 11.938 -34.377 354 HE ARG 639 HE ARG 639 5.627 13.779 -36.344 355 HH11 ARG 639 1HH1 ARG 639 5.512 10.259 -35.835 356 HH12 ARG 639 2HH1 ARG 639 5.439 9.950 -37.559 357 HH21 ARG 639 1HH2 ARG 639 5.539 13.284 -38.477 358 HH22 ARG 639 2HH2 ARG 639 5.454 11.627 -39.024 359 H ALA 640 H ALA 640 3.446 15.632 -34.730 360 HA ALA 640 HA ALA 640 1.877 13.648 -36.312 361 HB1 ALA 640 1HB ALA 640 1.440 16.622 -36.479 362 HB2 ALA 640 2HB ALA 640 0.450 15.316 -37.151 363 HB3 ALA 640 3HB ALA 640 0.483 15.589 -35.395 364 H LEU 641 H LEU 641 1.823 14.717 -38.721 365 HA LEU 641 HA LEU 641 4.492 14.490 -39.673 366 HB2 LEU 641 1HB LEU 641 2.418 14.087 -41.000 367 HB3 LEU 641 2HB LEU 641 2.101 15.821 -40.992 368 HG LEU 641 HG LEU 641 4.197 16.196 -42.280 369 HD11 LEU 641 1HD1 LEU 641 5.527 14.260 -41.642 370 HD12 LEU 641 2HD1 LEU 641 5.261 14.218 -43.392 371 HD13 LEU 641 3HD1 LEU 641 4.316 13.147 -42.329 372 HD21 LEU 641 1HD2 LEU 641 3.333 15.314 -44.404 373 HD22 LEU 641 2HD2 LEU 641 2.018 15.958 -43.403 374 HD23 LEU 641 3HD2 LEU 641 2.264 14.199 -43.523 375 H SER 642 H SER 642 2.453 17.380 -39.065 376 HA SER 642 HA SER 642 4.873 19.092 -39.475 377 HB2 SER 642 1HB SER 642 2.781 19.588 -40.746 378 HB3 SER 642 2HB SER 642 1.947 19.860 -39.202 379 HG SER 642 HG SER 642 2.704 21.808 -40.105 380 H SER 643 H SER 643 2.450 18.153 -37.038 381 HA SER 643 HA SER 643 3.378 20.175 -35.156 382 HB2 SER 643 1HB SER 643 1.637 17.726 -34.707 383 HB3 SER 643 2HB SER 643 1.959 18.985 -33.512 384 HG SER 643 HG SER 643 0.606 19.276 -36.013 385 H GLU 644 H GLU 644 4.912 20.072 -33.689 386 HA GLU 644 HA GLU 644 6.880 18.015 -33.618 387 HB2 GLU 644 1HB GLU 644 7.760 19.283 -31.723 388 HB3 GLU 644 2HB GLU 644 7.196 20.414 -32.967 389 HG2 GLU 644 1HG GLU 644 5.078 20.740 -31.712 390 HG3 GLU 644 2HG GLU 644 5.637 19.615 -30.470 391 H TRP 645 H TRP 645 7.562 16.840 -31.616 392 HA TRP 645 HA TRP 645 5.470 15.367 -30.272 393 HB2 TRP 645 1HB TRP 645 8.448 15.740 -29.847 394 HB3 TRP 645 2HB TRP 645 7.455 15.000 -28.591 395 HD1 TRP 645 HD1 TRP 645 9.384 14.064 -31.599 396 HE1 TRP 645 HE1 TRP 645 8.976 11.648 -32.292 397 HE3 TRP 645 HE3 TRP 645 5.235 13.204 -28.737 398 HZ2 TRP 645 HZ2 TRP 645 7.091 9.593 -31.689 399 HZ3 TRP 645 HZ3 TRP 645 4.142 10.941 -28.849 400 HH2 TRP 645 HH2 TRP 645 5.086 9.166 -30.321 401 H LYS 646 H LYS 646 4.014 16.649 -29.262 402 HA LYS 646 HA LYS 646 4.724 19.006 -27.774 403 HB2 LYS 646 1HB LYS 646 2.314 17.169 -27.424 404 HB3 LYS 646 2HB LYS 646 2.441 18.835 -26.843 405 HG2 LYS 646 1HG LYS 646 2.474 17.968 -29.771 406 HG3 LYS 646 2HG LYS 646 1.088 18.643 -28.921 407 HD2 LYS 646 1HD LYS 646 2.160 20.789 -28.669 408 HD3 LYS 646 2HD LYS 646 3.707 20.144 -29.237 409 HE2 LYS 646 1HE LYS 646 2.694 21.391 -31.035 410 HE3 LYS 646 2HE LYS 646 2.721 19.668 -31.448 411 HZ1 LYS 646 1HZ LYS 646 0.374 19.562 -30.794 412 HZ2 LYS 646 2HZ LYS 646 0.605 20.638 -32.016 413 HZ3 LYS 646 3HZ LYS 646 0.362 21.179 -30.480 414 HA PRO 647 HA PRO 647 6.760 17.076 -24.558 415 HB2 PRO 647 1HB PRO 647 6.303 18.647 -22.330 416 HB3 PRO 647 2HB PRO 647 7.354 19.123 -23.702 417 HG2 PRO 647 1HG PRO 647 4.472 19.852 -23.206 418 HG3 PRO 647 2HG PRO 647 5.848 20.914 -23.645 419 HD2 PRO 647 1HD PRO 647 4.100 20.030 -25.499 420 HD3 PRO 647 2HD PRO 647 5.859 20.170 -25.867 421 H GLU 648 H GLU 648 3.771 18.148 -22.796 422 HA GLU 648 HA GLU 648 2.953 15.382 -22.399 423 HB2 GLU 648 1HB GLU 648 4.818 15.801 -20.711 424 HB3 GLU 648 2HB GLU 648 3.786 17.029 -19.974 425 HG2 GLU 648 1HG GLU 648 2.110 15.337 -19.450 426 HG3 GLU 648 2HG GLU 648 3.050 14.107 -20.317 427 H ILE 649 H ILE 649 0.752 15.324 -21.828 428 HA ILE 649 HA ILE 649 -0.519 17.986 -21.346 429 HB ILE 649 HB ILE 649 -1.855 15.503 -22.489 430 HG12 ILE 649 1HG1 ILE 649 -0.171 16.255 -24.097 431 HG13 ILE 649 2HG1 ILE 649 -1.798 16.545 -24.691 432 HG21 ILE 649 1HG2 ILE 649 -2.783 18.403 -22.295 433 HG22 ILE 649 2HG2 ILE 649 -3.662 17.104 -23.137 434 HG23 ILE 649 3HG2 ILE 649 -3.418 17.018 -21.382 435 HD11 ILE 649 1HD1 ILE 649 -0.223 18.418 -25.203 436 HD12 ILE 649 2HD1 ILE 649 -1.608 18.949 -24.230 437 HD13 ILE 649 3HD1 ILE 649 -0.018 18.711 -23.468 438 H ARG 650 H ARG 650 -1.242 18.223 -19.406 439 HA ARG 650 HA ARG 650 -1.295 16.207 -17.356 440 HB2 ARG 650 1HB ARG 650 -2.217 17.969 -15.970 441 HB3 ARG 650 2HB ARG 650 -1.146 18.815 -17.094 442 HG2 ARG 650 1HG ARG 650 -3.255 19.271 -18.563 443 HG3 ARG 650 2HG ARG 650 -4.275 18.638 -17.265 444 HD2 ARG 650 1HD ARG 650 -3.343 20.408 -15.735 445 HD3 ARG 650 2HD ARG 650 -2.356 21.037 -17.075 446 HE ARG 650 HE ARG 650 -5.074 20.879 -17.909 447 HH11 ARG 650 1HH1 ARG 650 -3.048 22.828 -15.774 448 HH12 ARG 650 2HH1 ARG 650 -4.069 24.232 -15.934 449 HH21 ARG 650 1HH2 ARG 650 -6.326 22.710 -18.069 450 HH22 ARG 650 2HH2 ARG 650 -5.894 24.161 -17.207 451 H LEU 651 H LEU 651 -3.048 14.891 -16.613 452 HA LEU 651 HA LEU 651 -5.603 16.196 -16.932 453 HB2 LEU 651 1HB LEU 651 -5.073 13.817 -18.554 454 HB3 LEU 651 2HB LEU 651 -6.534 13.707 -17.583 455 HG LEU 651 HG LEU 651 -7.561 14.672 -19.307 456 HD11 LEU 651 1HD1 LEU 651 -7.402 17.223 -19.703 457 HD12 LEU 651 2HD1 LEU 651 -6.155 17.331 -18.415 458 HD13 LEU 651 3HD1 LEU 651 -7.817 16.751 -18.054 459 HD21 LEU 651 1HD2 LEU 651 -5.501 14.192 -20.682 460 HD22 LEU 651 2HD2 LEU 651 -5.006 15.873 -20.420 461 HD23 LEU 651 3HD2 LEU 651 -6.514 15.529 -21.267 462 HA PRO 652 HA PRO 652 -5.891 14.678 -12.902 463 HB2 PRO 652 1HB PRO 652 -8.475 15.124 -12.241 464 HB3 PRO 652 2HB PRO 652 -7.391 16.496 -12.655 465 HG2 PRO 652 1HG PRO 652 -9.340 15.019 -14.419 466 HG3 PRO 652 2HG PRO 652 -9.212 16.780 -14.130 467 HD2 PRO 652 1HD PRO 652 -8.063 15.575 -16.271 468 HD3 PRO 652 2HD PRO 652 -7.284 16.968 -15.445 469 H SER 653 H SER 653 -6.926 13.023 -11.482 470 HA SER 653 HA SER 653 -7.124 10.520 -12.702 471 HB2 SER 653 1HB SER 653 -8.640 10.727 -10.223 472 HB3 SER 653 2HB SER 653 -7.102 9.905 -10.550 473 HG SER 653 HG SER 653 -5.995 11.718 -10.056 474 H GLY 654 H GLY 654 -9.694 12.875 -12.231 475 HA2 GLY 654 1HA GLY 654 -11.783 10.852 -12.519 476 HA3 GLY 654 2HA GLY 654 -12.009 12.580 -12.273 477 H SER 655 H SER 655 -9.881 12.136 -14.931 478 HA SER 655 HA SER 655 -12.105 12.842 -16.723 479 HB2 SER 655 1HB SER 655 -10.262 12.924 -18.456 480 HB3 SER 655 2HB SER 655 -10.095 14.053 -17.098 481 HG SER 655 HG SER 655 -8.888 11.496 -17.075 482 H ASP 656 H ASP 656 -13.330 11.377 -17.653 483 HA ASP 656 HA ASP 656 -12.758 8.538 -17.629 484 HB2 ASP 656 1HB ASP 656 -15.025 9.188 -17.461 485 HB3 ASP 656 2HB ASP 656 -14.884 10.357 -18.784 486 H HIS 657 H HIS 657 -12.412 11.124 -20.005 487 HA HIS 657 HA HIS 657 -10.813 9.352 -21.707 488 HB2 HIS 657 1HB HIS 657 -11.996 9.867 -23.744 489 HB3 HIS 657 2HB HIS 657 -13.129 9.111 -22.621 490 HD1 HIS 657 HD1 HIS 657 -15.087 10.595 -21.741 491 HD2 HIS 657 HD2 HIS 657 -12.487 12.554 -24.328 492 HE1 HIS 657 HE1 HIS 657 -16.201 12.769 -22.384 493 H VAL 658 H VAL 658 -9.809 10.804 -23.465 494 HA VAL 658 HA VAL 658 -9.510 13.592 -22.430 495 HB VAL 658 HB VAL 658 -7.470 12.695 -21.668 496 HG11 VAL 658 1HG1 VAL 658 -6.099 11.017 -22.902 497 HG12 VAL 658 2HG1 VAL 658 -7.707 10.402 -22.485 498 HG13 VAL 658 3HG1 VAL 658 -7.365 10.929 -24.145 499 HG21 VAL 658 1HG2 VAL 658 -6.720 13.337 -24.548 500 HG22 VAL 658 2HG2 VAL 658 -7.100 14.570 -23.320 501 HG23 VAL 658 3HG2 VAL 658 -5.712 13.494 -23.097 502 H MET 659 H MET 659 -9.826 15.079 -23.972 503 HA MET 659 HA MET 659 -9.769 14.127 -26.791 504 HB2 MET 659 1HB MET 659 -11.904 15.116 -26.059 505 HB3 MET 659 2HB MET 659 -11.063 16.626 -25.660 506 HG2 MET 659 1HG MET 659 -10.588 17.094 -27.914 507 HG3 MET 659 2HG MET 659 -10.816 15.409 -28.398 508 HE1 MET 659 1HE MET 659 -12.192 17.438 -30.320 509 HE2 MET 659 2HE MET 659 -12.129 15.658 -30.327 510 HE3 MET 659 3HE MET 659 -13.693 16.513 -30.465 511 H LEU 660 H LEU 660 -7.992 14.562 -27.855 512 HA LEU 660 HA LEU 660 -6.212 16.745 -26.893 513 HB2 LEU 660 1HB LEU 660 -5.896 14.646 -29.070 514 HB3 LEU 660 2HB LEU 660 -4.689 15.859 -28.662 515 HG LEU 660 HG LEU 660 -5.605 13.602 -26.849 516 HD11 LEU 660 1HD1 LEU 660 -3.339 12.755 -27.304 517 HD12 LEU 660 2HD1 LEU 660 -3.058 14.100 -28.430 518 HD13 LEU 660 3HD1 LEU 660 -4.305 12.881 -28.787 519 HD21 LEU 660 1HD2 LEU 660 -3.661 14.330 -25.441 520 HD22 LEU 660 2HD2 LEU 660 -4.932 15.557 -25.511 521 HD23 LEU 660 3HD2 LEU 660 -3.454 15.750 -26.486 522 H LYS 661 H LYS 661 -5.660 18.469 -28.205 523 HA LYS 661 HA LYS 661 -7.104 18.780 -30.794 524 HB2 LYS 661 1HB LYS 661 -6.998 20.857 -28.554 525 HB3 LYS 661 2HB LYS 661 -7.576 21.148 -30.201 526 HG2 LYS 661 1HG LYS 661 -9.159 19.099 -29.637 527 HG3 LYS 661 2HG LYS 661 -8.877 19.607 -27.975 528 HD2 LYS 661 1HD LYS 661 -9.902 21.715 -28.347 529 HD3 LYS 661 2HD LYS 661 -9.743 21.575 -30.115 530 HE2 LYS 661 1HE LYS 661 -11.325 19.710 -30.145 531 HE3 LYS 661 2HE LYS 661 -11.493 19.791 -28.385 532 HZ1 LYS 661 1HZ LYS 661 -12.266 21.964 -30.244 533 HZ2 LYS 661 2HZ LYS 661 -12.519 21.945 -28.613 534 HZ3 LYS 661 3HZ LYS 661 -13.315 20.872 -29.590 535 H SER 662 H SER 662 -6.061 20.931 -31.768 536 HA SER 662 HA SER 662 -4.145 21.857 -32.674 537 HB2 SER 662 1HB SER 662 -3.913 22.659 -30.273 538 HB3 SER 662 2HB SER 662 -2.791 21.311 -30.010 539 HG SER 662 HG SER 662 -2.515 23.473 -31.838 540 H LEU 663 H LEU 663 -4.541 19.472 -33.611 541 HA LEU 663 HA LEU 663 -1.835 18.286 -33.847 542 HB2 LEU 663 1HB LEU 663 -2.908 16.017 -33.865 543 HB3 LEU 663 2HB LEU 663 -2.886 16.812 -32.307 544 HG LEU 663 HG LEU 663 -5.353 17.468 -32.797 545 HD11 LEU 663 1HD1 LEU 663 -4.914 15.229 -34.783 546 HD12 LEU 663 2HD1 LEU 663 -5.634 16.818 -35.074 547 HD13 LEU 663 3HD1 LEU 663 -6.505 15.619 -34.101 548 HD21 LEU 663 1HD2 LEU 663 -6.053 15.373 -31.769 549 HD22 LEU 663 2HD2 LEU 663 -4.519 15.919 -31.069 550 HD23 LEU 663 3HD2 LEU 663 -4.531 14.594 -32.259 551 H ASP 664 H ASP 664 -1.660 17.118 -35.932 552 HA ASP 664 HA ASP 664 -2.921 18.620 -38.039 553 HB2 ASP 664 1HB ASP 664 -1.451 15.950 -38.175 554 HB3 ASP 664 2HB ASP 664 -1.881 16.963 -39.557 555 H TRP 665 H TRP 665 -4.690 18.010 -39.344 556 HA TRP 665 HA TRP 665 -6.117 15.540 -38.427 557 HB2 TRP 665 1HB TRP 665 -8.172 16.729 -39.297 558 HB3 TRP 665 2HB TRP 665 -7.436 17.392 -37.839 559 HD1 TRP 665 HD1 TRP 665 -6.103 19.751 -38.090 560 HE1 TRP 665 HE1 TRP 665 -6.308 21.678 -39.717 561 HE3 TRP 665 HE3 TRP 665 -8.748 17.308 -41.730 562 HZ2 TRP 665 HZ2 TRP 665 -7.441 22.122 -42.303 563 HZ3 TRP 665 HZ3 TRP 665 -9.391 18.582 -43.793 564 HH2 TRP 665 HH2 TRP 665 -8.724 20.965 -44.068 565 H ASN 666 H ASN 666 -5.061 17.439 -41.218 566 HA ASN 666 HA ASN 666 -6.233 15.502 -43.114 567 HB2 ASN 666 1HB ASN 666 -5.424 17.061 -44.802 568 HB3 ASN 666 2HB ASN 666 -6.274 17.968 -43.545 569 HD21 ASN 666 1HD2 ASN 666 -2.619 19.045 -44.527 570 HD22 ASN 666 2HD2 ASN 666 -3.702 18.072 -45.497 571 H ALA 667 H ALA 667 -3.746 15.244 -41.130 572 HA ALA 667 HA ALA 667 -2.084 13.712 -43.035 573 HB1 ALA 667 1HB ALA 667 -0.937 15.838 -41.159 574 HB2 ALA 667 2HB ALA 667 -0.014 14.747 -42.208 575 HB3 ALA 667 3HB ALA 667 -1.048 16.002 -42.926 576 H GLU 668 H GLU 668 -0.510 12.376 -41.640 577 HA GLU 668 HA GLU 668 -2.170 11.229 -39.532 578 HB2 GLU 668 1HB GLU 668 -0.626 9.383 -39.585 579 HB3 GLU 668 2HB GLU 668 -1.041 9.854 -41.233 580 HG2 GLU 668 1HG GLU 668 1.127 11.116 -41.363 581 HG3 GLU 668 2HG GLU 668 1.554 10.433 -39.781 582 H TYR 669 H TYR 669 -1.593 10.750 -37.453 583 HA TYR 669 HA TYR 669 0.839 11.968 -36.339 584 HB2 TYR 669 1HB TYR 669 -0.398 13.160 -34.597 585 HB3 TYR 669 2HB TYR 669 -0.830 13.758 -36.196 586 HD1 TYR 669 HD1 TYR 669 -3.031 13.397 -37.156 587 HD2 TYR 669 HD2 TYR 669 -2.041 11.969 -33.224 588 HE1 TYR 669 HE1 TYR 669 -5.432 13.127 -36.651 589 HE2 TYR 669 HE2 TYR 669 -4.468 11.698 -32.724 590 HH TYR 669 HH TYR 669 -6.972 12.605 -35.102 591 H GLU 670 H GLU 670 1.252 11.230 -34.174 592 HA GLU 670 HA GLU 670 -0.120 8.638 -33.566 593 HB2 GLU 670 1HB GLU 670 2.034 7.817 -32.731 594 HB3 GLU 670 2HB GLU 670 2.140 8.253 -34.442 595 HG2 GLU 670 1HG GLU 670 3.178 10.443 -33.743 596 HG3 GLU 670 2HG GLU 670 3.219 9.831 -32.082 597 H VAL 671 H VAL 671 -0.541 8.211 -31.419 598 HA VAL 671 HA VAL 671 -0.028 10.453 -29.485 599 HB VAL 671 HB VAL 671 -2.573 8.792 -29.801 600 HG11 VAL 671 1HG1 VAL 671 -3.500 10.369 -28.066 601 HG12 VAL 671 2HG1 VAL 671 -2.236 9.291 -27.456 602 HG13 VAL 671 3HG1 VAL 671 -1.850 10.990 -27.822 603 HG21 VAL 671 1HG2 VAL 671 -3.668 10.958 -30.377 604 HG22 VAL 671 2HG2 VAL 671 -2.064 11.726 -30.411 605 HG23 VAL 671 3HG2 VAL 671 -2.467 10.442 -31.573 606 H TYR 672 H TYR 672 0.756 9.782 -27.553 607 HA TYR 672 HA TYR 672 0.504 6.878 -26.826 608 HB2 TYR 672 1HB TYR 672 2.811 8.826 -26.483 609 HB3 TYR 672 2HB TYR 672 2.636 7.381 -25.477 610 HD1 TYR 672 HD1 TYR 672 3.406 5.276 -26.222 611 HD2 TYR 672 HD2 TYR 672 2.918 8.476 -29.053 612 HE1 TYR 672 HE1 TYR 672 4.460 3.873 -27.987 613 HE2 TYR 672 HE2 TYR 672 4.004 7.080 -30.802 614 HH TYR 672 HH TYR 672 4.985 5.127 -31.318 615 H VAL 673 H VAL 673 -0.274 6.539 -24.761 616 HA VAL 673 HA VAL 673 -0.518 8.900 -22.972 617 HB VAL 673 HB VAL 673 -2.641 8.975 -24.076 618 HG11 VAL 673 1HG1 VAL 673 -2.705 5.955 -23.828 619 HG12 VAL 673 2HG1 VAL 673 -4.147 6.919 -24.209 620 HG13 VAL 673 3HG1 VAL 673 -2.747 6.944 -25.299 621 HG21 VAL 673 1HG2 VAL 673 -3.183 7.364 -21.547 622 HG22 VAL 673 2HG2 VAL 673 -2.711 9.071 -21.555 623 HG23 VAL 673 3HG2 VAL 673 -4.232 8.567 -22.317 624 H VAL 674 H VAL 674 -0.298 8.427 -20.868 625 HA VAL 674 HA VAL 674 -0.336 5.569 -20.030 626 HB VAL 674 HB VAL 674 1.689 5.977 -18.594 627 HG11 VAL 674 1HG1 VAL 674 3.388 5.888 -20.432 628 HG12 VAL 674 2HG1 VAL 674 2.031 4.767 -20.608 629 HG13 VAL 674 3HG1 VAL 674 2.081 6.250 -21.593 630 HG21 VAL 674 1HG2 VAL 674 2.086 8.487 -20.269 631 HG22 VAL 674 2HG2 VAL 674 1.565 8.456 -18.572 632 HG23 VAL 674 3HG2 VAL 674 3.172 7.852 -19.009 633 H ALA 675 H ALA 675 -0.536 5.383 -17.700 634 HA ALA 675 HA ALA 675 -1.812 7.773 -16.418 635 HB1 ALA 675 1HB ALA 675 -3.447 5.989 -17.071 636 HB2 ALA 675 2HB ALA 675 -2.539 4.838 -16.065 637 HB3 ALA 675 3HB ALA 675 -3.334 6.243 -15.319 638 H GLU 676 H GLU 676 -1.489 7.766 -14.059 639 HA GLU 676 HA GLU 676 0.565 5.808 -13.165 640 HB2 GLU 676 1HB GLU 676 1.870 7.453 -12.060 641 HB3 GLU 676 2HB GLU 676 1.689 7.948 -13.744 642 HG2 GLU 676 1HG GLU 676 0.040 9.619 -13.114 643 HG3 GLU 676 2HG GLU 676 0.151 9.111 -11.418 644 H ASN 677 H ASN 677 0.391 5.240 -11.011 645 HA ASN 677 HA ASN 677 -1.991 6.427 -9.645 646 HB2 ASN 677 1HB ASN 677 -2.620 4.350 -8.674 647 HB3 ASN 677 2HB ASN 677 -2.489 4.085 -10.410 648 HD21 ASN 677 1HD2 ASN 677 -0.974 1.136 -9.054 649 HD22 ASN 677 2HD2 ASN 677 -2.534 1.864 -9.395 650 H GLN 678 H GLN 678 -1.603 5.700 -7.121 651 HA GLN 678 HA GLN 678 0.652 7.371 -6.535 652 HB2 GLN 678 1HB GLN 678 -1.576 7.261 -5.432 653 HB3 GLN 678 2HB GLN 678 -1.024 5.797 -4.575 654 HG2 GLN 678 1HG GLN 678 0.682 7.051 -3.413 655 HG3 GLN 678 2HG GLN 678 0.429 8.462 -4.458 656 HE21 GLN 678 1HE2 GLN 678 -1.657 8.133 -1.082 657 HE22 GLN 678 2HE2 GLN 678 -0.279 7.134 -1.477 658 H GLN 679 H GLN 679 0.842 4.249 -7.470 659 HA GLN 679 HA GLN 679 3.210 3.715 -5.717 660 HB2 GLN 679 1HB GLN 679 1.037 2.205 -5.710 661 HB3 GLN 679 2HB GLN 679 1.688 1.578 -7.197 662 HG2 GLN 679 1HG GLN 679 2.517 0.093 -5.602 663 HG3 GLN 679 2HG GLN 679 3.883 1.151 -5.952 664 HE21 GLN 679 1HE2 GLN 679 2.489 2.665 -2.557 665 HE22 GLN 679 2HE2 GLN 679 1.904 3.053 -4.155 666 H GLY 680 H GLY 680 2.032 3.856 -9.089 667 HA2 GLY 680 1HA GLY 680 4.687 4.066 -10.079 668 HA3 GLY 680 2HA GLY 680 4.129 2.411 -10.287 669 H LYS 681 H LYS 681 4.555 3.076 -12.620 670 HA LYS 681 HA LYS 681 2.364 4.768 -13.779 671 HB2 LYS 681 1HB LYS 681 5.072 3.934 -14.867 672 HB3 LYS 681 2HB LYS 681 3.924 4.992 -15.701 673 HG2 LYS 681 1HG LYS 681 4.811 5.741 -12.929 674 HG3 LYS 681 2HG LYS 681 5.946 5.950 -14.274 675 HD2 LYS 681 1HD LYS 681 3.314 6.945 -14.994 676 HD3 LYS 681 2HD LYS 681 3.881 7.653 -13.464 677 HE2 LYS 681 1HE LYS 681 6.101 7.920 -14.686 678 HE3 LYS 681 2HE LYS 681 5.154 7.768 -16.172 679 HZ1 LYS 681 1HZ LYS 681 3.887 9.672 -15.585 680 HZ2 LYS 681 2HZ LYS 681 5.444 10.114 -15.280 681 HZ3 LYS 681 3HZ LYS 681 4.429 9.706 -14.035 682 H SER 682 H SER 682 1.513 4.220 -15.833 683 HA SER 682 HA SER 682 1.013 1.304 -16.013 684 HB2 SER 682 1HB SER 682 -0.917 1.843 -17.179 685 HB3 SER 682 2HB SER 682 -0.755 3.249 -16.131 686 HG SER 682 HG SER 682 -0.098 3.029 -18.889 687 H LYS 683 H LYS 683 0.930 0.270 -18.185 688 HA LYS 683 HA LYS 683 3.266 0.861 -19.801 689 HB2 LYS 683 1HB LYS 683 0.988 -1.054 -19.771 690 HB3 LYS 683 2HB LYS 683 1.583 -0.612 -21.373 691 HG2 LYS 683 1HG LYS 683 3.846 -1.331 -20.758 692 HG3 LYS 683 2HG LYS 683 3.292 -1.734 -19.122 693 HD2 LYS 683 1HD LYS 683 3.446 -3.749 -20.527 694 HD3 LYS 683 2HD LYS 683 1.765 -3.442 -20.048 695 HE2 LYS 683 1HE LYS 683 1.271 -2.452 -22.210 696 HE3 LYS 683 2HE LYS 683 2.971 -2.573 -22.701 697 HZ1 LYS 683 1HZ LYS 683 1.188 -4.875 -22.154 698 HZ2 LYS 683 2HZ LYS 683 2.769 -4.982 -22.612 699 HZ3 LYS 683 3HZ LYS 683 1.650 -4.353 -23.648 700 H ALA 684 H ALA 684 3.233 1.775 -21.904 701 HA ALA 684 HA ALA 684 1.216 3.824 -22.297 702 HB1 ALA 684 1HB ALA 684 3.464 2.886 -24.149 703 HB2 ALA 684 2HB ALA 684 2.546 4.405 -24.281 704 HB3 ALA 684 3HB ALA 684 3.633 4.144 -22.898 705 H ALA 685 H ALA 685 -0.197 4.023 -24.018 706 HA ALA 685 HA ALA 685 -0.612 1.614 -25.742 707 HB1 ALA 685 1HB ALA 685 -3.032 2.054 -25.693 708 HB2 ALA 685 2HB ALA 685 -2.472 1.824 -24.020 709 HB3 ALA 685 3HB ALA 685 -2.789 3.462 -24.637 710 H HIS 686 H HIS 686 -0.823 2.260 -27.924 711 HA HIS 686 HA HIS 686 -0.792 5.161 -28.455 712 HB2 HIS 686 1HB HIS 686 1.063 4.726 -30.114 713 HB3 HIS 686 2HB HIS 686 1.488 4.664 -28.406 714 HD1 HIS 686 HD1 HIS 686 0.938 2.316 -31.347 715 HD2 HIS 686 HD2 HIS 686 2.490 2.296 -27.491 716 HE1 HIS 686 HE1 HIS 686 2.085 0.088 -31.037 717 H PHE 687 H PHE 687 -1.452 5.845 -30.480 718 HA PHE 687 HA PHE 687 -2.260 3.814 -32.433 719 HB2 PHE 687 1HB PHE 687 -4.538 4.213 -32.477 720 HB3 PHE 687 2HB PHE 687 -4.177 4.151 -30.751 721 HD1 PHE 687 HD1 PHE 687 -3.876 6.437 -29.509 722 HD2 PHE 687 HD2 PHE 687 -5.605 6.054 -33.433 723 HE1 PHE 687 HE1 PHE 687 -5.005 8.656 -29.230 724 HE2 PHE 687 HE2 PHE 687 -6.724 8.242 -33.160 725 HZ PHE 687 HZ PHE 687 -6.449 9.548 -31.058 726 H VAL 688 H VAL 688 -2.876 4.740 -34.502 727 HA VAL 688 HA VAL 688 -1.760 7.479 -34.923 728 HB VAL 688 HB VAL 688 -1.506 5.018 -36.737 729 HG11 VAL 688 1HG1 VAL 688 -0.383 7.839 -37.099 730 HG12 VAL 688 2HG1 VAL 688 -0.032 6.445 -38.144 731 HG13 VAL 688 3HG1 VAL 688 -1.679 7.097 -38.066 732 HG21 VAL 688 1HG2 VAL 688 0.946 5.225 -36.276 733 HG22 VAL 688 2HG2 VAL 688 0.592 6.496 -35.085 734 HG23 VAL 688 3HG2 VAL 688 0.010 4.835 -34.821 735 H PHE 689 H PHE 689 -3.019 8.819 -36.249 736 HA PHE 689 HA PHE 689 -5.366 7.628 -37.638 737 HB2 PHE 689 1HB PHE 689 -6.102 8.003 -35.321 738 HB3 PHE 689 2HB PHE 689 -5.537 9.673 -35.392 739 HD1 PHE 689 HD1 PHE 689 -6.791 11.381 -36.600 740 HD2 PHE 689 HD2 PHE 689 -8.170 7.314 -36.492 741 HE1 PHE 689 HE1 PHE 689 -9.009 12.137 -37.389 742 HE2 PHE 689 HE2 PHE 689 -10.406 8.059 -37.312 743 HZ PHE 689 HZ PHE 689 -10.824 10.485 -37.758 744 H ARG 690 H ARG 690 -6.388 9.036 -39.144 745 HA ARG 690 HA ARG 690 -5.584 11.849 -39.358 746 HB2 ARG 690 1HB ARG 690 -5.600 10.855 -42.049 747 HB3 ARG 690 2HB ARG 690 -4.394 11.828 -41.239 748 HG2 ARG 690 1HG ARG 690 -3.100 10.140 -41.908 749 HG3 ARG 690 2HG ARG 690 -3.552 9.483 -40.340 750 HD2 ARG 690 1HD ARG 690 -5.329 8.145 -41.455 751 HD3 ARG 690 2HD ARG 690 -4.817 8.812 -43.019 752 HE ARG 690 HE ARG 690 -3.480 6.750 -41.453 753 HH11 ARG 690 1HH1 ARG 690 -2.956 9.181 -43.985 754 HH12 ARG 690 2HH1 ARG 690 -1.505 8.386 -44.543 755 HH21 ARG 690 1HH2 ARG 690 -1.651 5.807 -42.261 756 HH22 ARG 690 2HH2 ARG 690 -0.786 6.530 -43.585 757 H THR 691 H THR 691 -7.156 12.941 -40.808 758 HA THR 691 HA THR 691 -9.519 11.271 -41.532 759 HB THR 691 HB THR 691 -9.992 12.336 -39.297 760 HG1 THR 691 HG1 THR 691 -11.991 13.173 -39.976 761 HG21 THR 691 1HG2 THR 691 -10.412 14.768 -39.218 762 HG22 THR 691 2HG2 THR 691 -9.717 14.938 -40.844 763 HG23 THR 691 3HG2 THR 691 -8.699 14.391 -39.490 764 H HIS 692 H HIS 692 -11.040 13.138 -42.770 765 HA HIS 692 HA HIS 692 -11.225 14.197 -44.785 766 HB2 HIS 692 1HB HIS 692 -9.885 15.909 -43.321 767 HB3 HIS 692 2HB HIS 692 -8.550 15.528 -44.414 768 HD1 HIS 692 HD1 HIS 692 -12.017 17.091 -44.404 769 HD2 HIS 692 HD2 HIS 692 -8.761 16.607 -46.947 770 HE1 HIS 692 HE1 HIS 692 -12.423 18.589 -46.398 771 H HIS 693 H HIS 693 -9.960 11.629 -44.594 772 HA HIS 693 HA HIS 693 -8.246 11.589 -47.059 773 HB2 HIS 693 1HB HIS 693 -8.443 9.813 -44.603 774 HB3 HIS 693 2HB HIS 693 -7.867 9.148 -46.133 775 HD1 HIS 693 HD1 HIS 693 -6.919 12.482 -44.452 776 HD2 HIS 693 HD2 HIS 693 -5.233 8.972 -45.905 777 HE1 HIS 693 HE1 HIS 693 -4.416 12.739 -44.236 778 H HIS 694 H HIS 694 -11.164 11.959 -46.680 779 HA HIS 694 HA HIS 694 -12.147 9.693 -48.323 780 HB2 HIS 694 1HB HIS 694 -14.299 9.948 -46.822 781 HB3 HIS 694 2HB HIS 694 -12.969 8.913 -46.290 782 HD1 HIS 694 HD1 HIS 694 -12.605 9.195 -43.835 783 HD2 HIS 694 HD2 HIS 694 -13.633 12.783 -45.675 784 HE1 HIS 694 HE1 HIS 694 -12.573 10.968 -42.036 785 H HIS 695 H HIS 695 -14.067 10.335 -49.528 786 HA HIS 695 HA HIS 695 -13.911 13.123 -50.315 787 HB2 HIS 695 1HB HIS 695 -15.806 10.911 -51.173 788 HB3 HIS 695 2HB HIS 695 -15.619 12.481 -51.967 789 HD1 HIS 695 HD1 HIS 695 -13.057 12.904 -52.962 790 HD2 HIS 695 HD2 HIS 695 -14.183 8.987 -52.143 791 HE1 HIS 695 HE1 HIS 695 -11.442 11.409 -54.201 792 H HIS 696 H HIS 696 -14.892 14.704 -49.274 793 HA HIS 696 HA HIS 696 -17.113 14.322 -47.467 794 HB2 HIS 696 1HB HIS 696 -15.433 16.102 -47.168 795 HB3 HIS 696 2HB HIS 696 -15.837 16.778 -48.749 796 HD1 HIS 696 HD1 HIS 696 -18.817 15.849 -46.667 797 HD2 HIS 696 HD2 HIS 696 -16.416 19.168 -47.375 798 HE1 HIS 696 HE1 HIS 696 -20.056 17.850 -45.758 799 H HIS 697 H HIS 697 -19.225 14.366 -47.885 800 HA HIS 697 HA HIS 697 -20.309 15.629 -50.336 801 HB2 HIS 697 1HB HIS 697 -20.932 12.825 -49.285 802 HB3 HIS 697 2HB HIS 697 -21.934 13.700 -50.448 803 HD1 HIS 697 HD1 HIS 697 -18.498 12.068 -50.200 804 HD2 HIS 697 HD2 HIS 697 -21.125 13.566 -53.049 805 HE1 HIS 697 HE1 HIS 697 -17.601 11.372 -52.453 Start of MODEL 7 1 H1 MET 595 1H MET 595 3.918 1.922 -0.570 2 H2 MET 595 2H MET 595 2.785 0.725 -0.628 3 H3 MET 595 3H MET 595 4.343 0.367 -0.217 4 HA MET 595 HA MET 595 3.443 1.359 -2.833 5 HB2 MET 595 1HB MET 595 5.719 2.098 -2.184 6 HB3 MET 595 2HB MET 595 6.183 0.417 -1.919 7 HG2 MET 595 1HG MET 595 5.709 -0.053 -4.328 8 HG3 MET 595 2HG MET 595 5.376 1.676 -4.558 9 HE1 MET 595 1HE MET 595 8.860 1.378 -6.291 10 HE2 MET 595 2HE MET 595 7.479 0.261 -6.372 11 HE3 MET 595 3HE MET 595 7.205 2.018 -6.422 12 H GLN 596 H GLN 596 5.215 -1.407 -1.322 13 HA GLN 596 HA GLN 596 4.837 -3.184 -3.402 14 HB2 GLN 596 1HB GLN 596 5.078 -3.750 -0.428 15 HB3 GLN 596 2HB GLN 596 5.325 -4.930 -1.717 16 HG2 GLN 596 1HG GLN 596 7.506 -4.340 -1.393 17 HG3 GLN 596 2HG GLN 596 7.085 -3.108 -2.587 18 HE21 GLN 596 1HE2 GLN 596 8.902 -1.652 0.399 19 HE22 GLN 596 2HE2 GLN 596 9.210 -3.024 -0.638 20 HA PRO 597 HA PRO 597 1.113 -5.279 -1.667 21 HB2 PRO 597 1HB PRO 597 -0.828 -4.074 -0.225 22 HB3 PRO 597 2HB PRO 597 0.666 -4.700 0.545 23 HG2 PRO 597 1HG PRO 597 0.035 -1.907 -0.346 24 HG3 PRO 597 2HG PRO 597 0.606 -2.477 1.252 25 HD2 PRO 597 1HD PRO 597 2.305 -1.501 -0.619 26 HD3 PRO 597 2HD PRO 597 2.783 -2.838 0.479 27 H VAL 598 H VAL 598 1.182 -2.370 -3.391 28 HA VAL 598 HA VAL 598 -1.425 -3.035 -4.661 29 HB VAL 598 HB VAL 598 -2.174 -1.105 -3.739 30 HG11 VAL 598 1HG1 VAL 598 -0.371 -0.691 -2.221 31 HG12 VAL 598 2HG1 VAL 598 0.668 -0.092 -3.535 32 HG13 VAL 598 3HG1 VAL 598 -0.761 0.832 -3.032 33 HG21 VAL 598 1HG2 VAL 598 -1.952 0.837 -5.181 34 HG22 VAL 598 2HG2 VAL 598 -0.462 0.191 -5.893 35 HG23 VAL 598 3HG2 VAL 598 -2.007 -0.620 -6.183 36 H ARG 599 H ARG 599 -1.398 -3.205 -6.803 37 HA ARG 599 HA ARG 599 1.196 -3.154 -8.137 38 HB2 ARG 599 1HB ARG 599 0.052 -4.199 -9.978 39 HB3 ARG 599 2HB ARG 599 -0.488 -4.958 -8.479 40 HG2 ARG 599 1HG ARG 599 -2.586 -3.626 -8.561 41 HG3 ARG 599 2HG ARG 599 -2.040 -2.872 -10.069 42 HD2 ARG 599 1HD ARG 599 -1.902 -5.145 -11.101 43 HD3 ARG 599 2HD ARG 599 -2.597 -5.816 -9.613 44 HE ARG 599 HE ARG 599 -4.203 -3.678 -10.807 45 HH11 ARG 599 1HH1 ARG 599 -3.614 -7.162 -10.873 46 HH12 ARG 599 2HH1 ARG 599 -5.200 -7.505 -11.509 47 HH21 ARG 599 1HH2 ARG 599 -6.182 -4.183 -11.619 48 HH22 ARG 599 2HH2 ARG 599 -6.629 -5.848 -11.929 49 H GLU 600 H GLU 600 1.423 -2.374 -10.335 50 HA GLU 600 HA GLU 600 1.003 0.473 -10.526 51 HB2 GLU 600 1HB GLU 600 1.903 -1.626 -12.550 52 HB3 GLU 600 2HB GLU 600 2.015 0.112 -12.796 53 HG2 GLU 600 1HG GLU 600 4.182 -0.554 -12.154 54 HG3 GLU 600 2HG GLU 600 3.483 0.220 -10.725 55 HA PRO 601 HA PRO 601 -2.838 0.396 -12.580 56 HB2 PRO 601 1HB PRO 601 -2.757 2.500 -14.356 57 HB3 PRO 601 2HB PRO 601 -2.940 2.639 -12.589 58 HG2 PRO 601 1HG PRO 601 -0.556 3.097 -14.277 59 HG3 PRO 601 2HG PRO 601 -1.070 3.917 -12.792 60 HD2 PRO 601 1HD PRO 601 0.892 1.957 -13.000 61 HD3 PRO 601 2HD PRO 601 0.062 2.446 -11.494 62 H SER 602 H SER 602 -4.074 0.322 -14.617 63 HA SER 602 HA SER 602 -2.850 -1.688 -16.362 64 HB2 SER 602 1HB SER 602 -5.148 -1.968 -15.502 65 HB3 SER 602 2HB SER 602 -5.633 -0.450 -16.285 66 HG SER 602 HG SER 602 -5.547 -1.382 -18.217 67 H ALA 603 H ALA 603 -2.869 -1.536 -18.668 68 HA ALA 603 HA ALA 603 -2.006 0.958 -19.731 69 HB1 ALA 603 1HB ALA 603 -3.270 -1.376 -21.252 70 HB2 ALA 603 2HB ALA 603 -2.184 -0.132 -21.915 71 HB3 ALA 603 3HB ALA 603 -1.563 -1.327 -20.753 72 HA PRO 604 HA PRO 604 -5.987 2.841 -20.009 73 HB2 PRO 604 1HB PRO 604 -5.611 4.725 -21.960 74 HB3 PRO 604 2HB PRO 604 -4.860 4.859 -20.337 75 HG2 PRO 604 1HG PRO 604 -3.696 3.782 -22.865 76 HG3 PRO 604 2HG PRO 604 -3.025 4.995 -21.745 77 HD2 PRO 604 1HD PRO 604 -2.250 2.445 -21.653 78 HD3 PRO 604 2HD PRO 604 -2.476 3.404 -20.146 79 H LYS 605 H LYS 605 -7.867 3.040 -21.329 80 HA LYS 605 HA LYS 605 -8.013 0.885 -23.339 81 HB2 LYS 605 1HB LYS 605 -10.110 2.943 -22.579 82 HB3 LYS 605 2HB LYS 605 -10.369 1.539 -23.569 83 HG2 LYS 605 1HG LYS 605 -11.281 0.840 -21.602 84 HG3 LYS 605 2HG LYS 605 -9.651 0.185 -21.455 85 HD2 LYS 605 1HD LYS 605 -10.535 1.224 -19.348 86 HD3 LYS 605 2HD LYS 605 -9.014 1.929 -19.888 87 HE2 LYS 605 1HE LYS 605 -10.624 3.623 -19.040 88 HE3 LYS 605 2HE LYS 605 -10.123 3.926 -20.695 89 HZ1 LYS 605 1HZ LYS 605 -12.233 3.307 -21.500 90 HZ2 LYS 605 2HZ LYS 605 -12.559 4.235 -20.176 91 HZ3 LYS 605 3HZ LYS 605 -12.692 2.592 -20.083 92 H LEU 606 H LEU 606 -8.751 1.375 -25.617 93 HA LEU 606 HA LEU 606 -8.462 4.184 -26.410 94 HB2 LEU 606 1HB LEU 606 -6.155 3.224 -26.527 95 HB3 LEU 606 2HB LEU 606 -6.734 2.000 -27.645 96 HG LEU 606 HG LEU 606 -5.440 4.029 -28.557 97 HD11 LEU 606 1HD1 LEU 606 -8.098 3.329 -29.854 98 HD12 LEU 606 2HD1 LEU 606 -6.575 2.441 -30.031 99 HD13 LEU 606 3HD1 LEU 606 -6.716 4.098 -30.649 100 HD21 LEU 606 1HD2 LEU 606 -6.729 6.025 -29.090 101 HD22 LEU 606 2HD2 LEU 606 -6.700 5.763 -27.338 102 HD23 LEU 606 3HD2 LEU 606 -8.155 5.374 -28.280 103 H GLU 607 H GLU 607 -10.234 4.545 -27.524 104 HA GLU 607 HA GLU 607 -11.336 2.304 -29.167 105 HB2 GLU 607 1HB GLU 607 -12.868 4.723 -28.218 106 HB3 GLU 607 2HB GLU 607 -13.503 3.196 -28.820 107 HG2 GLU 607 1HG GLU 607 -12.137 3.725 -26.172 108 HG3 GLU 607 2HG GLU 607 -13.830 3.300 -26.427 109 H GLY 608 H GLY 608 -9.828 5.366 -29.322 110 HA2 GLY 608 1HA GLY 608 -9.275 6.705 -31.109 111 HA3 GLY 608 2HA GLY 608 -9.701 5.333 -32.143 112 H GLN 609 H GLN 609 -11.613 7.547 -30.033 113 HA GLN 609 HA GLN 609 -13.771 7.491 -31.996 114 HB2 GLN 609 1HB GLN 609 -13.405 9.189 -29.509 115 HB3 GLN 609 2HB GLN 609 -14.908 8.981 -30.406 116 HG2 GLN 609 1HG GLN 609 -15.406 7.241 -29.109 117 HG3 GLN 609 2HG GLN 609 -13.978 6.377 -29.699 118 HE21 GLN 609 1HE2 GLN 609 -14.170 7.745 -25.930 119 HE22 GLN 609 2HE2 GLN 609 -15.513 7.731 -27.049 120 H MET 610 H MET 610 -13.730 8.732 -33.774 121 HA MET 610 HA MET 610 -11.737 10.632 -34.329 122 HB2 MET 610 1HB MET 610 -14.506 10.452 -35.557 123 HB3 MET 610 2HB MET 610 -13.080 11.208 -36.280 124 HG2 MET 610 1HG MET 610 -11.956 8.965 -36.249 125 HG3 MET 610 2HG MET 610 -13.479 8.258 -35.684 126 HE1 MET 610 1HE MET 610 -13.915 6.595 -37.642 127 HE2 MET 610 2HE MET 610 -13.627 6.998 -39.351 128 HE3 MET 610 3HE MET 610 -12.271 6.984 -38.201 129 H GLY 611 H GLY 611 -11.597 12.858 -34.351 130 HA2 GLY 611 1HA GLY 611 -13.337 14.231 -32.438 131 HA3 GLY 611 2HA GLY 611 -11.909 14.894 -33.247 132 H GLU 612 H GLU 612 -15.251 14.907 -33.061 133 HA GLU 612 HA GLU 612 -16.004 15.355 -35.792 134 HB2 GLU 612 1HB GLU 612 -17.352 16.410 -33.272 135 HB3 GLU 612 2HB GLU 612 -18.093 16.137 -34.848 136 HG2 GLU 612 1HG GLU 612 -18.835 14.245 -33.807 137 HG3 GLU 612 2HG GLU 612 -17.290 13.614 -34.391 138 H ASP 613 H ASP 613 -14.710 17.378 -33.244 139 HA ASP 613 HA ASP 613 -15.356 19.956 -34.262 140 HB2 ASP 613 1HB ASP 613 -12.835 19.079 -32.806 141 HB3 ASP 613 2HB ASP 613 -13.435 20.725 -32.916 142 H GLY 614 H GLY 614 -13.023 17.570 -35.308 143 HA2 GLY 614 1HA GLY 614 -11.514 17.654 -37.092 144 HA3 GLY 614 2HA GLY 614 -11.981 19.346 -37.396 145 H ASN 615 H ASN 615 -9.250 18.402 -37.350 146 HA ASN 615 HA ASN 615 -7.189 18.918 -36.462 147 HB2 ASN 615 1HB ASN 615 -8.553 21.209 -36.709 148 HB3 ASN 615 2HB ASN 615 -8.378 21.242 -34.952 149 HD21 ASN 615 1HD2 ASN 615 -4.782 21.541 -35.162 150 HD22 ASN 615 2HD2 ASN 615 -6.027 20.685 -34.268 151 H SER 616 H SER 616 -9.044 17.157 -34.918 152 HA SER 616 HA SER 616 -7.690 17.117 -32.327 153 HB2 SER 616 1HB SER 616 -9.799 17.436 -31.077 154 HB3 SER 616 2HB SER 616 -9.376 18.879 -32.019 155 HG SER 616 HG SER 616 -10.912 18.412 -33.484 156 H ILE 617 H ILE 617 -8.672 15.388 -30.882 157 HA ILE 617 HA ILE 617 -10.480 13.444 -32.070 158 HB ILE 617 HB ILE 617 -8.271 12.909 -33.156 159 HG12 ILE 617 1HG1 ILE 617 -8.948 10.523 -31.510 160 HG13 ILE 617 2HG1 ILE 617 -10.286 11.322 -32.330 161 HG21 ILE 617 1HG2 ILE 617 -7.449 11.943 -30.373 162 HG22 ILE 617 2HG2 ILE 617 -6.510 11.810 -31.876 163 HG23 ILE 617 3HG2 ILE 617 -6.816 13.403 -31.166 164 HD11 ILE 617 1HD1 ILE 617 -9.210 11.035 -34.488 165 HD12 ILE 617 2HD1 ILE 617 -7.802 10.290 -33.701 166 HD13 ILE 617 3HD1 ILE 617 -9.379 9.474 -33.652 167 H LYS 618 H LYS 618 -11.081 11.725 -30.520 168 HA LYS 618 HA LYS 618 -10.359 12.474 -27.702 169 HB2 LYS 618 1HB LYS 618 -12.766 10.854 -28.567 170 HB3 LYS 618 2HB LYS 618 -12.465 11.582 -26.998 171 HG2 LYS 618 1HG LYS 618 -13.921 13.152 -27.746 172 HG3 LYS 618 2HG LYS 618 -12.487 13.801 -28.553 173 HD2 LYS 618 1HD LYS 618 -13.861 13.688 -30.393 174 HD3 LYS 618 2HD LYS 618 -13.214 12.066 -30.443 175 HE2 LYS 618 1HE LYS 618 -15.516 11.767 -30.738 176 HE3 LYS 618 2HE LYS 618 -15.230 11.338 -29.040 177 HZ1 LYS 618 1HZ LYS 618 -16.257 13.930 -30.046 178 HZ2 LYS 618 2HZ LYS 618 -16.008 13.570 -28.447 179 HZ3 LYS 618 3HZ LYS 618 -17.160 12.767 -29.323 180 H VAL 619 H VAL 619 -9.450 10.901 -26.445 181 HA VAL 619 HA VAL 619 -9.346 8.130 -27.569 182 HB VAL 619 HB VAL 619 -7.110 8.285 -27.872 183 HG11 VAL 619 1HG1 VAL 619 -7.250 10.685 -28.225 184 HG12 VAL 619 2HG1 VAL 619 -7.175 10.994 -26.474 185 HG13 VAL 619 3HG1 VAL 619 -5.772 10.318 -27.321 186 HG21 VAL 619 1HG2 VAL 619 -6.982 7.255 -25.645 187 HG22 VAL 619 2HG2 VAL 619 -5.583 8.308 -25.945 188 HG23 VAL 619 3HG2 VAL 619 -6.899 8.866 -24.889 189 H ASN 620 H ASN 620 -9.314 6.513 -25.843 190 HA ASN 620 HA ASN 620 -11.030 7.398 -23.681 191 HB2 ASN 620 1HB ASN 620 -10.253 4.908 -24.951 192 HB3 ASN 620 2HB ASN 620 -10.190 4.793 -23.193 193 HD21 ASN 620 1HD2 ASN 620 -13.781 5.729 -24.893 194 HD22 ASN 620 2HD2 ASN 620 -12.308 6.363 -25.588 195 H LEU 621 H LEU 621 -10.731 7.380 -21.521 196 HA LEU 621 HA LEU 621 -7.935 7.041 -20.556 197 HB2 LEU 621 1HB LEU 621 -8.864 9.446 -20.889 198 HB3 LEU 621 2HB LEU 621 -9.779 9.110 -19.424 199 HG LEU 621 HG LEU 621 -7.398 8.334 -18.525 200 HD11 LEU 621 1HD1 LEU 621 -5.577 9.684 -19.423 201 HD12 LEU 621 2HD1 LEU 621 -6.659 10.414 -20.624 202 HD13 LEU 621 3HD1 LEU 621 -6.266 8.682 -20.717 203 HD21 LEU 621 1HD2 LEU 621 -8.727 10.092 -17.521 204 HD22 LEU 621 2HD2 LEU 621 -8.388 11.204 -18.874 205 HD23 LEU 621 3HD2 LEU 621 -7.090 10.729 -17.761 206 H ILE 622 H ILE 622 -7.675 6.369 -18.366 207 HA ILE 622 HA ILE 622 -9.654 4.525 -17.378 208 HB ILE 622 HB ILE 622 -7.050 5.680 -16.337 209 HG12 ILE 622 1HG1 ILE 622 -7.153 2.831 -16.448 210 HG13 ILE 622 2HG1 ILE 622 -7.746 3.477 -17.988 211 HG21 ILE 622 1HG2 ILE 622 -7.148 3.987 -14.496 212 HG22 ILE 622 2HG2 ILE 622 -8.266 5.345 -14.304 213 HG23 ILE 622 3HG2 ILE 622 -8.854 3.766 -14.860 214 HD11 ILE 622 1HD1 ILE 622 -5.332 3.080 -17.990 215 HD12 ILE 622 2HD1 ILE 622 -5.719 4.808 -18.212 216 HD13 ILE 622 3HD1 ILE 622 -5.145 4.201 -16.633 217 H LYS 623 H LYS 623 -11.295 4.813 -15.970 218 HA LYS 623 HA LYS 623 -11.332 7.306 -14.382 219 HB2 LYS 623 1HB LYS 623 -13.869 7.193 -14.508 220 HB3 LYS 623 2HB LYS 623 -12.975 7.740 -15.907 221 HG2 LYS 623 1HG LYS 623 -14.729 6.374 -16.671 222 HG3 LYS 623 2HG LYS 623 -13.220 5.502 -16.941 223 HD2 LYS 623 1HD LYS 623 -13.664 4.142 -14.942 224 HD3 LYS 623 2HD LYS 623 -15.183 5.025 -14.678 225 HE2 LYS 623 1HE LYS 623 -16.055 4.259 -16.811 226 HE3 LYS 623 2HE LYS 623 -14.494 3.531 -17.233 227 HZ1 LYS 623 1HZ LYS 623 -16.191 2.677 -14.967 228 HZ2 LYS 623 2HZ LYS 623 -14.745 2.002 -15.401 229 HZ3 LYS 623 3HZ LYS 623 -16.051 1.885 -16.408 230 H GLN 624 H GLN 624 -10.582 4.382 -13.723 231 HA GLN 624 HA GLN 624 -11.950 4.444 -11.095 232 HB2 GLN 624 1HB GLN 624 -12.524 2.128 -11.141 233 HB3 GLN 624 2HB GLN 624 -13.244 2.872 -12.566 234 HG2 GLN 624 1HG GLN 624 -10.588 1.403 -12.724 235 HG3 GLN 624 2HG GLN 624 -12.125 0.542 -12.791 236 HE21 GLN 624 1HE2 GLN 624 -10.659 2.260 -16.075 237 HE22 GLN 624 2HE2 GLN 624 -9.772 2.142 -14.567 238 H ASP 625 H ASP 625 -10.820 2.676 -9.634 239 HA ASP 625 HA ASP 625 -7.937 3.083 -9.939 240 HB2 ASP 625 1HB ASP 625 -7.816 1.739 -7.833 241 HB3 ASP 625 2HB ASP 625 -8.824 3.185 -7.696 242 H ASP 626 H ASP 626 -6.681 1.826 -11.090 243 HA ASP 626 HA ASP 626 -7.741 -0.587 -12.357 244 HB2 ASP 626 1HB ASP 626 -5.038 0.784 -12.356 245 HB3 ASP 626 2HB ASP 626 -5.406 -0.664 -13.310 246 H GLY 627 H GLY 627 -6.071 0.091 -9.467 247 HA2 GLY 627 1HA GLY 627 -5.439 -2.788 -9.160 248 HA3 GLY 627 2HA GLY 627 -4.120 -1.625 -8.972 249 H GLY 628 H GLY 628 -3.705 -1.024 -6.990 250 HA2 GLY 628 1HA GLY 628 -5.828 -1.462 -4.928 251 HA3 GLY 628 2HA GLY 628 -4.088 -1.483 -4.627 252 H SER 629 H SER 629 -4.838 0.991 -6.771 253 HA SER 629 HA SER 629 -5.636 2.999 -4.807 254 HB2 SER 629 1HB SER 629 -2.867 3.076 -6.095 255 HB3 SER 629 2HB SER 629 -3.620 4.421 -5.214 256 HG SER 629 HG SER 629 -3.717 2.185 -3.715 257 HA PRO 630 HA PRO 630 -6.968 4.526 -8.766 258 HB2 PRO 630 1HB PRO 630 -7.492 7.146 -8.256 259 HB3 PRO 630 2HB PRO 630 -8.510 5.830 -7.583 260 HG2 PRO 630 1HG PRO 630 -6.240 7.307 -6.292 261 HG3 PRO 630 2HG PRO 630 -7.893 7.023 -5.668 262 HD2 PRO 630 1HD PRO 630 -5.799 5.474 -4.942 263 HD3 PRO 630 2HD PRO 630 -7.440 4.779 -5.185 264 H ILE 631 H ILE 631 -6.378 6.189 -10.417 265 HA ILE 631 HA ILE 631 -3.507 6.311 -10.696 266 HB ILE 631 HB ILE 631 -5.912 7.197 -12.316 267 HG12 ILE 631 1HG1 ILE 631 -4.846 5.824 -14.070 268 HG13 ILE 631 2HG1 ILE 631 -3.454 5.547 -13.010 269 HG21 ILE 631 1HG2 ILE 631 -3.081 8.165 -12.775 270 HG22 ILE 631 2HG2 ILE 631 -4.256 8.075 -14.060 271 HG23 ILE 631 3HG2 ILE 631 -4.565 9.128 -12.674 272 HD11 ILE 631 1HD1 ILE 631 -5.076 3.653 -13.211 273 HD12 ILE 631 2HD1 ILE 631 -4.757 4.165 -11.545 274 HD13 ILE 631 3HD1 ILE 631 -6.274 4.641 -12.353 275 H ARG 632 H ARG 632 -2.173 8.182 -10.693 276 HA ARG 632 HA ARG 632 -3.263 10.396 -8.987 277 HB2 ARG 632 1HB ARG 632 -0.612 9.045 -9.233 278 HB3 ARG 632 2HB ARG 632 -0.586 10.782 -8.960 279 HG2 ARG 632 1HG ARG 632 -0.386 9.530 -6.822 280 HG3 ARG 632 2HG ARG 632 -1.857 10.526 -6.885 281 HD2 ARG 632 1HD ARG 632 -2.958 8.229 -7.723 282 HD3 ARG 632 2HD ARG 632 -1.569 7.535 -6.869 283 HE ARG 632 HE ARG 632 -2.408 8.306 -4.829 284 HH11 ARG 632 1HH1 ARG 632 -4.510 9.435 -7.470 285 HH12 ARG 632 2HH1 ARG 632 -5.751 9.950 -6.357 286 HH21 ARG 632 1HH2 ARG 632 -4.034 8.956 -3.517 287 HH22 ARG 632 2HH2 ARG 632 -5.492 9.671 -4.158 288 H HIS 633 H HIS 633 -1.244 9.691 -11.900 289 HA HIS 633 HA HIS 633 -2.245 12.264 -13.032 290 HB2 HIS 633 1HB HIS 633 0.665 11.397 -13.177 291 HB3 HIS 633 2HB HIS 633 -0.035 12.905 -13.780 292 HD1 HIS 633 HD1 HIS 633 1.713 11.543 -10.896 293 HD2 HIS 633 HD2 HIS 633 -1.071 14.562 -11.543 294 HE1 HIS 633 HE1 HIS 633 1.810 13.059 -8.885 295 H TYR 634 H TYR 634 -1.907 12.421 -15.420 296 HA TYR 634 HA TYR 634 -1.405 9.773 -16.732 297 HB2 TYR 634 1HB TYR 634 -3.367 11.951 -17.543 298 HB3 TYR 634 2HB TYR 634 -2.882 10.594 -18.575 299 HD1 TYR 634 HD1 TYR 634 -4.990 11.650 -15.834 300 HD2 TYR 634 HD2 TYR 634 -3.428 8.228 -17.888 301 HE1 TYR 634 HE1 TYR 634 -6.714 10.231 -14.784 302 HE2 TYR 634 HE2 TYR 634 -5.169 6.806 -16.812 303 HH TYR 634 HH TYR 634 -7.801 8.140 -14.949 304 H LEU 635 H LEU 635 -0.238 9.874 -18.644 305 HA LEU 635 HA LEU 635 0.959 12.545 -19.264 306 HB2 LEU 635 1HB LEU 635 2.456 9.921 -19.272 307 HB3 LEU 635 2HB LEU 635 3.109 11.503 -19.613 308 HG LEU 635 HG LEU 635 2.273 11.924 -17.070 309 HD11 LEU 635 1HD1 LEU 635 1.441 9.624 -16.724 310 HD12 LEU 635 2HD1 LEU 635 2.823 9.973 -15.675 311 HD13 LEU 635 3HD1 LEU 635 3.041 8.977 -17.134 312 HD21 LEU 635 1HD2 LEU 635 4.611 11.425 -16.379 313 HD22 LEU 635 2HD2 LEU 635 4.524 12.340 -17.891 314 HD23 LEU 635 3HD2 LEU 635 4.872 10.603 -17.939 315 H VAL 636 H VAL 636 -0.037 12.967 -21.151 316 HA VAL 636 HA VAL 636 -0.230 10.781 -23.176 317 HB VAL 636 HB VAL 636 -1.673 13.470 -23.202 318 HG11 VAL 636 1HG1 VAL 636 -3.151 12.255 -24.853 319 HG12 VAL 636 2HG1 VAL 636 -1.479 12.480 -25.405 320 HG13 VAL 636 3HG1 VAL 636 -2.006 10.895 -24.800 321 HG21 VAL 636 1HG2 VAL 636 -3.723 12.253 -22.507 322 HG22 VAL 636 2HG2 VAL 636 -2.745 10.800 -22.225 323 HG23 VAL 636 3HG2 VAL 636 -2.485 12.255 -21.240 324 H ARG 637 H ARG 637 1.162 10.932 -24.874 325 HA ARG 637 HA ARG 637 2.410 13.621 -25.380 326 HB2 ARG 637 1HB ARG 637 3.732 11.530 -24.279 327 HB3 ARG 637 2HB ARG 637 3.898 11.085 -25.981 328 HG2 ARG 637 1HG ARG 637 4.926 13.290 -26.442 329 HG3 ARG 637 2HG ARG 637 4.727 13.724 -24.748 330 HD2 ARG 637 1HD ARG 637 6.462 11.484 -25.821 331 HD3 ARG 637 2HD ARG 637 7.024 13.033 -25.166 332 HE ARG 637 HE ARG 637 6.158 10.692 -23.681 333 HH11 ARG 637 1HH1 ARG 637 6.553 14.200 -23.410 334 HH12 ARG 637 2HH1 ARG 637 6.529 14.145 -21.661 335 HH21 ARG 637 1HH2 ARG 637 6.171 10.743 -21.461 336 HH22 ARG 637 2HH2 ARG 637 6.300 12.275 -20.607 337 H TYR 638 H TYR 638 2.070 14.242 -27.496 338 HA TYR 638 HA TYR 638 1.663 12.092 -29.481 339 HB2 TYR 638 1HB TYR 638 -0.346 13.175 -30.413 340 HB3 TYR 638 2HB TYR 638 -0.592 12.508 -28.803 341 HD1 TYR 638 HD1 TYR 638 -1.049 15.387 -30.879 342 HD2 TYR 638 HD2 TYR 638 -0.459 14.190 -26.782 343 HE1 TYR 638 HE1 TYR 638 -2.070 17.533 -30.090 344 HE2 TYR 638 HE2 TYR 638 -1.445 16.329 -26.024 345 HH TYR 638 HH TYR 638 -2.366 18.301 -26.602 346 H ARG 639 H ARG 639 2.078 12.639 -31.584 347 HA ARG 639 HA ARG 639 3.343 15.317 -32.041 348 HB2 ARG 639 1HB ARG 639 5.196 13.996 -31.378 349 HB3 ARG 639 2HB ARG 639 4.602 12.563 -32.182 350 HG2 ARG 639 1HG ARG 639 5.201 14.812 -33.978 351 HG3 ARG 639 2HG ARG 639 6.593 14.166 -33.102 352 HD2 ARG 639 1HD ARG 639 6.385 12.058 -34.046 353 HD3 ARG 639 2HD ARG 639 4.660 12.269 -34.394 354 HE ARG 639 HE ARG 639 6.014 14.181 -35.934 355 HH11 ARG 639 1HH1 ARG 639 5.803 10.637 -35.775 356 HH12 ARG 639 2HH1 ARG 639 6.151 10.472 -37.484 357 HH21 ARG 639 1HH2 ARG 639 6.458 13.873 -38.070 358 HH22 ARG 639 2HH2 ARG 639 6.520 12.268 -38.755 359 H ALA 640 H ALA 640 3.178 15.949 -34.193 360 HA ALA 640 HA ALA 640 1.569 14.127 -35.919 361 HB1 ALA 640 1HB ALA 640 0.367 15.967 -36.721 362 HB2 ALA 640 2HB ALA 640 0.467 16.268 -34.976 363 HB3 ALA 640 3HB ALA 640 1.540 17.143 -36.099 364 H LEU 641 H LEU 641 1.833 14.761 -38.336 365 HA LEU 641 HA LEU 641 4.554 14.391 -39.036 366 HB2 LEU 641 1HB LEU 641 2.566 13.878 -40.462 367 HB3 LEU 641 2HB LEU 641 2.322 15.607 -40.697 368 HG LEU 641 HG LEU 641 4.520 15.749 -41.851 369 HD11 LEU 641 1HD1 LEU 641 5.583 13.605 -42.615 370 HD12 LEU 641 2HD1 LEU 641 4.525 12.720 -41.488 371 HD13 LEU 641 3HD1 LEU 641 5.729 13.883 -40.872 372 HD21 LEU 641 1HD2 LEU 641 3.792 14.610 -43.907 373 HD22 LEU 641 2HD2 LEU 641 2.436 15.435 -43.114 374 HD23 LEU 641 3HD2 LEU 641 2.606 13.667 -42.975 375 H SER 642 H SER 642 2.566 17.325 -38.797 376 HA SER 642 HA SER 642 4.917 19.009 -39.482 377 HB2 SER 642 1HB SER 642 2.648 19.323 -40.549 378 HB3 SER 642 2HB SER 642 2.045 19.853 -38.966 379 HG SER 642 HG SER 642 3.804 21.432 -39.038 380 H SER 643 H SER 643 4.051 17.630 -36.637 381 HA SER 643 HA SER 643 4.706 20.113 -35.091 382 HB2 SER 643 1HB SER 643 2.577 18.076 -34.372 383 HB3 SER 643 2HB SER 643 3.105 19.420 -33.348 384 HG SER 643 HG SER 643 2.153 19.849 -35.980 385 H GLU 644 H GLU 644 5.404 19.787 -32.896 386 HA GLU 644 HA GLU 644 7.311 17.562 -32.710 387 HB2 GLU 644 1HB GLU 644 8.259 18.769 -30.930 388 HB3 GLU 644 2HB GLU 644 7.774 20.005 -32.084 389 HG2 GLU 644 1HG GLU 644 6.024 19.284 -29.683 390 HG3 GLU 644 2HG GLU 644 7.365 20.411 -29.544 391 H TRP 645 H TRP 645 7.500 16.498 -30.460 392 HA TRP 645 HA TRP 645 5.011 15.238 -29.712 393 HB2 TRP 645 1HB TRP 645 7.787 15.319 -28.480 394 HB3 TRP 645 2HB TRP 645 6.436 14.484 -27.710 395 HD1 TRP 645 HD1 TRP 645 9.000 14.039 -30.447 396 HE1 TRP 645 HE1 TRP 645 8.805 11.739 -31.519 397 HE3 TRP 645 HE3 TRP 645 4.535 12.666 -28.370 398 HZ2 TRP 645 HZ2 TRP 645 6.964 9.561 -31.467 399 HZ3 TRP 645 HZ3 TRP 645 3.596 10.413 -28.917 400 HH2 TRP 645 HH2 TRP 645 4.824 8.881 -30.457 401 H LYS 646 H LYS 646 3.431 16.426 -28.782 402 HA LYS 646 HA LYS 646 3.964 18.701 -27.068 403 HB2 LYS 646 1HB LYS 646 1.492 16.936 -26.994 404 HB3 LYS 646 2HB LYS 646 1.614 18.625 -26.500 405 HG2 LYS 646 1HG LYS 646 1.709 17.485 -29.337 406 HG3 LYS 646 2HG LYS 646 0.421 18.451 -28.631 407 HD2 LYS 646 1HD LYS 646 1.921 20.416 -28.552 408 HD3 LYS 646 2HD LYS 646 3.223 19.444 -29.282 409 HE2 LYS 646 1HE LYS 646 1.821 19.006 -31.258 410 HE3 LYS 646 2HE LYS 646 0.490 19.936 -30.546 411 HZ1 LYS 646 1HZ LYS 646 1.739 21.236 -32.148 412 HZ2 LYS 646 2HZ LYS 646 3.144 21.028 -31.308 413 HZ3 LYS 646 3HZ LYS 646 1.910 21.901 -30.648 414 HA PRO 647 HA PRO 647 5.518 16.248 -23.887 415 HB2 PRO 647 1HB PRO 647 5.322 17.829 -21.651 416 HB3 PRO 647 2HB PRO 647 6.438 18.148 -23.012 417 HG2 PRO 647 1HG PRO 647 3.713 19.318 -22.502 418 HG3 PRO 647 2HG PRO 647 5.249 20.156 -22.889 419 HD2 PRO 647 1HD PRO 647 3.407 19.620 -24.787 420 HD3 PRO 647 2HD PRO 647 5.170 19.515 -25.133 421 H GLU 648 H GLU 648 2.776 17.750 -22.037 422 HA GLU 648 HA GLU 648 1.769 15.038 -21.408 423 HB2 GLU 648 1HB GLU 648 3.222 16.847 -19.476 424 HB3 GLU 648 2HB GLU 648 1.794 15.995 -18.910 425 HG2 GLU 648 1HG GLU 648 3.357 14.469 -18.298 426 HG3 GLU 648 2HG GLU 648 2.974 13.863 -19.910 427 H ILE 649 H ILE 649 -0.339 15.104 -20.434 428 HA ILE 649 HA ILE 649 -1.641 17.781 -20.579 429 HB ILE 649 HB ILE 649 -2.991 15.246 -21.617 430 HG12 ILE 649 1HG1 ILE 649 -0.951 15.729 -23.012 431 HG13 ILE 649 2HG1 ILE 649 -2.461 15.819 -23.889 432 HG21 ILE 649 1HG2 ILE 649 -4.463 17.186 -20.979 433 HG22 ILE 649 2HG2 ILE 649 -3.594 18.224 -22.107 434 HG23 ILE 649 3HG2 ILE 649 -4.540 16.843 -22.715 435 HD11 ILE 649 1HD1 ILE 649 -1.141 18.361 -22.836 436 HD12 ILE 649 2HD1 ILE 649 -0.677 17.635 -24.385 437 HD13 ILE 649 3HD1 ILE 649 -2.346 18.189 -24.131 438 H ARG 650 H ARG 650 -2.944 18.230 -18.955 439 HA ARG 650 HA ARG 650 -2.772 16.770 -16.479 440 HB2 ARG 650 1HB ARG 650 -4.125 18.774 -15.754 441 HB3 ARG 650 2HB ARG 650 -2.692 19.183 -16.715 442 HG2 ARG 650 1HG ARG 650 -4.800 18.828 -18.671 443 HG3 ARG 650 2HG ARG 650 -5.548 19.695 -17.316 444 HD2 ARG 650 1HD ARG 650 -2.965 20.640 -18.615 445 HD3 ARG 650 2HD ARG 650 -4.586 21.289 -18.965 446 HE ARG 650 HE ARG 650 -4.233 21.380 -16.169 447 HH11 ARG 650 1HH1 ARG 650 -2.803 22.955 -18.987 448 HH12 ARG 650 2HH1 ARG 650 -2.375 24.382 -18.084 449 HH21 ARG 650 1HH2 ARG 650 -3.652 23.225 -15.085 450 HH22 ARG 650 2HH2 ARG 650 -2.851 24.531 -15.915 451 H LEU 651 H LEU 651 -4.144 14.835 -16.178 452 HA LEU 651 HA LEU 651 -7.039 15.523 -16.341 453 HB2 LEU 651 1HB LEU 651 -5.618 13.259 -17.717 454 HB3 LEU 651 2HB LEU 651 -7.323 13.154 -17.309 455 HG LEU 651 HG LEU 651 -7.176 13.710 -19.595 456 HD11 LEU 651 1HD1 LEU 651 -8.951 14.861 -18.257 457 HD12 LEU 651 2HD1 LEU 651 -8.527 15.674 -19.775 458 HD13 LEU 651 3HD1 LEU 651 -7.919 16.320 -18.235 459 HD21 LEU 651 1HD2 LEU 651 -6.017 15.404 -20.690 460 HD22 LEU 651 2HD2 LEU 651 -4.841 14.875 -19.485 461 HD23 LEU 651 3HD2 LEU 651 -5.745 16.421 -19.245 462 HA PRO 652 HA PRO 652 -7.255 13.346 -12.544 463 HB2 PRO 652 1HB PRO 652 -9.911 13.267 -12.119 464 HB3 PRO 652 2HB PRO 652 -9.065 14.845 -12.249 465 HG2 PRO 652 1HG PRO 652 -10.585 13.324 -14.369 466 HG3 PRO 652 2HG PRO 652 -10.770 15.036 -13.879 467 HD2 PRO 652 1HD PRO 652 -9.242 14.232 -16.018 468 HD3 PRO 652 2HD PRO 652 -8.857 15.686 -15.039 469 H SER 653 H SER 653 -7.946 11.357 -11.523 470 HA SER 653 HA SER 653 -8.068 9.053 -13.271 471 HB2 SER 653 1HB SER 653 -6.923 9.143 -11.051 472 HB3 SER 653 2HB SER 653 -8.507 9.256 -10.266 473 HG SER 653 HG SER 653 -8.989 7.220 -11.384 474 H GLY 654 H GLY 654 -10.428 11.005 -13.305 475 HA2 GLY 654 1HA GLY 654 -12.549 8.950 -12.929 476 HA3 GLY 654 2HA GLY 654 -12.746 10.562 -12.219 477 H SER 655 H SER 655 -11.149 9.920 -15.327 478 HA SER 655 HA SER 655 -13.505 11.149 -16.710 479 HB2 SER 655 1HB SER 655 -11.533 12.709 -16.508 480 HB3 SER 655 2HB SER 655 -10.570 11.531 -17.424 481 HG SER 655 HG SER 655 -11.455 12.320 -19.178 482 H ASP 656 H ASP 656 -14.233 9.874 -18.405 483 HA ASP 656 HA ASP 656 -12.827 7.322 -18.787 484 HB2 ASP 656 1HB ASP 656 -15.483 8.041 -18.755 485 HB3 ASP 656 2HB ASP 656 -15.175 7.867 -20.488 486 H HIS 657 H HIS 657 -12.550 10.353 -20.176 487 HA HIS 657 HA HIS 657 -11.085 9.220 -22.431 488 HB2 HIS 657 1HB HIS 657 -12.260 10.257 -24.192 489 HB3 HIS 657 2HB HIS 657 -13.492 9.434 -23.233 490 HD1 HIS 657 HD1 HIS 657 -15.005 11.077 -21.673 491 HD2 HIS 657 HD2 HIS 657 -12.563 12.937 -24.478 492 HE1 HIS 657 HE1 HIS 657 -15.826 13.457 -21.889 493 H VAL 658 H VAL 658 -10.016 10.935 -23.724 494 HA VAL 658 HA VAL 658 -9.713 13.528 -22.293 495 HB VAL 658 HB VAL 658 -7.763 12.303 -21.521 496 HG11 VAL 658 1HG1 VAL 658 -6.165 11.186 -23.042 497 HG12 VAL 658 2HG1 VAL 658 -7.764 10.424 -23.089 498 HG13 VAL 658 3HG1 VAL 658 -7.251 11.500 -24.407 499 HG21 VAL 658 1HG2 VAL 658 -6.854 13.963 -23.908 500 HG22 VAL 658 2HG2 VAL 658 -7.380 14.635 -22.348 501 HG23 VAL 658 3HG2 VAL 658 -5.933 13.609 -22.430 502 H MET 659 H MET 659 -9.697 15.205 -23.722 503 HA MET 659 HA MET 659 -10.018 14.511 -26.603 504 HB2 MET 659 1HB MET 659 -11.511 16.117 -24.920 505 HB3 MET 659 2HB MET 659 -10.451 17.301 -25.691 506 HG2 MET 659 1HG MET 659 -12.166 15.297 -27.179 507 HG3 MET 659 2HG MET 659 -12.658 16.955 -26.824 508 HE1 MET 659 1HE MET 659 -12.020 17.030 -30.696 509 HE2 MET 659 2HE MET 659 -12.092 15.380 -30.054 510 HE3 MET 659 3HE MET 659 -13.207 16.633 -29.441 511 H LEU 660 H LEU 660 -8.425 15.044 -28.014 512 HA LEU 660 HA LEU 660 -6.228 16.831 -27.007 513 HB2 LEU 660 1HB LEU 660 -6.116 14.600 -29.070 514 HB3 LEU 660 2HB LEU 660 -4.773 15.632 -28.589 515 HG LEU 660 HG LEU 660 -6.147 13.531 -26.878 516 HD11 LEU 660 1HD1 LEU 660 -3.360 13.740 -28.066 517 HD12 LEU 660 2HD1 LEU 660 -4.674 12.694 -28.652 518 HD13 LEU 660 3HD1 LEU 660 -3.975 12.422 -27.045 519 HD21 LEU 660 1HD2 LEU 660 -4.352 14.039 -25.213 520 HD22 LEU 660 2HD2 LEU 660 -5.458 15.400 -25.435 521 HD23 LEU 660 3HD2 LEU 660 -3.854 15.431 -26.198 522 H LYS 661 H LYS 661 -5.666 18.522 -28.294 523 HA LYS 661 HA LYS 661 -7.016 18.793 -30.951 524 HB2 LYS 661 1HB LYS 661 -6.896 20.882 -28.729 525 HB3 LYS 661 2HB LYS 661 -7.373 21.217 -30.395 526 HG2 LYS 661 1HG LYS 661 -9.026 19.100 -29.668 527 HG3 LYS 661 2HG LYS 661 -8.950 20.088 -28.205 528 HD2 LYS 661 1HD LYS 661 -9.711 22.039 -29.418 529 HD3 LYS 661 2HD LYS 661 -9.560 21.186 -30.974 530 HE2 LYS 661 1HE LYS 661 -11.258 19.571 -30.281 531 HE3 LYS 661 2HE LYS 661 -11.421 20.384 -28.717 532 HZ1 LYS 661 1HZ LYS 661 -13.164 21.050 -30.288 533 HZ2 LYS 661 2HZ LYS 661 -12.036 21.618 -31.347 534 HZ3 LYS 661 3HZ LYS 661 -12.227 22.349 -29.881 535 H SER 662 H SER 662 -5.978 20.881 -31.972 536 HA SER 662 HA SER 662 -4.104 21.842 -32.889 537 HB2 SER 662 1HB SER 662 -3.819 22.664 -30.516 538 HB3 SER 662 2HB SER 662 -2.697 21.314 -30.250 539 HG SER 662 HG SER 662 -1.476 22.135 -32.035 540 H LEU 663 H LEU 663 -4.505 19.393 -33.739 541 HA LEU 663 HA LEU 663 -1.776 18.278 -34.070 542 HB2 LEU 663 1HB LEU 663 -2.795 15.992 -33.991 543 HB3 LEU 663 2HB LEU 663 -2.774 16.839 -32.454 544 HG LEU 663 HG LEU 663 -5.265 17.439 -32.966 545 HD11 LEU 663 1HD1 LEU 663 -5.575 16.708 -35.200 546 HD12 LEU 663 2HD1 LEU 663 -6.365 15.481 -34.196 547 HD13 LEU 663 3HD1 LEU 663 -4.766 15.168 -34.897 548 HD21 LEU 663 1HD2 LEU 663 -4.387 14.605 -32.298 549 HD22 LEU 663 2HD2 LEU 663 -5.933 15.368 -31.856 550 HD23 LEU 663 3HD2 LEU 663 -4.419 15.980 -31.167 551 H ASP 664 H ASP 664 -1.640 17.047 -36.127 552 HA ASP 664 HA ASP 664 -2.888 18.525 -38.246 553 HB2 ASP 664 1HB ASP 664 -1.399 15.868 -38.294 554 HB3 ASP 664 2HB ASP 664 -1.886 16.786 -39.726 555 H TRP 665 H TRP 665 -4.578 17.980 -39.608 556 HA TRP 665 HA TRP 665 -6.130 15.556 -38.798 557 HB2 TRP 665 1HB TRP 665 -8.078 16.863 -39.848 558 HB3 TRP 665 2HB TRP 665 -7.483 17.361 -38.263 559 HD1 TRP 665 HD1 TRP 665 -5.975 19.644 -38.180 560 HE1 TRP 665 HE1 TRP 665 -5.957 21.728 -39.614 561 HE3 TRP 665 HE3 TRP 665 -8.441 17.717 -42.229 562 HZ2 TRP 665 HZ2 TRP 665 -6.853 22.480 -42.222 563 HZ3 TRP 665 HZ3 TRP 665 -8.841 19.214 -44.205 564 HH2 TRP 665 HH2 TRP 665 -8.034 21.566 -44.190 565 H ASN 666 H ASN 666 -4.811 17.413 -41.485 566 HA ASN 666 HA ASN 666 -5.876 15.445 -43.449 567 HB2 ASN 666 1HB ASN 666 -5.145 17.091 -45.114 568 HB3 ASN 666 2HB ASN 666 -6.153 17.876 -43.896 569 HD21 ASN 666 1HD2 ASN 666 -2.623 19.406 -44.694 570 HD22 ASN 666 2HD2 ASN 666 -3.547 18.337 -45.724 571 H ALA 667 H ALA 667 -3.679 14.929 -41.465 572 HA ALA 667 HA ALA 667 -1.765 13.662 -43.255 573 HB1 ALA 667 1HB ALA 667 -0.833 15.864 -41.328 574 HB2 ALA 667 2HB ALA 667 0.220 14.780 -42.252 575 HB3 ALA 667 3HB ALA 667 -0.777 15.981 -43.099 576 H GLU 668 H GLU 668 -0.191 12.477 -41.528 577 HA GLU 668 HA GLU 668 -2.093 11.551 -39.474 578 HB2 GLU 668 1HB GLU 668 -0.948 9.520 -39.393 579 HB3 GLU 668 2HB GLU 668 -1.147 9.958 -41.084 580 HG2 GLU 668 1HG GLU 668 1.205 10.669 -41.173 581 HG3 GLU 668 2HG GLU 668 1.401 10.090 -39.502 582 H TYR 669 H TYR 669 -1.531 10.989 -37.412 583 HA TYR 669 HA TYR 669 0.911 12.188 -36.277 584 HB2 TYR 669 1HB TYR 669 -0.405 13.324 -34.525 585 HB3 TYR 669 2HB TYR 669 -0.789 13.970 -36.124 586 HD1 TYR 669 HD1 TYR 669 -2.952 13.461 -37.214 587 HD2 TYR 669 HD2 TYR 669 -2.073 12.139 -33.216 588 HE1 TYR 669 HE1 TYR 669 -5.357 13.061 -36.816 589 HE2 TYR 669 HE2 TYR 669 -4.503 11.735 -32.831 590 HH TYR 669 HH TYR 669 -6.937 12.492 -35.324 591 H GLU 670 H GLU 670 1.261 11.366 -34.113 592 HA GLU 670 HA GLU 670 -0.118 8.745 -33.664 593 HB2 GLU 670 1HB GLU 670 2.050 7.916 -32.821 594 HB3 GLU 670 2HB GLU 670 2.140 8.393 -34.520 595 HG2 GLU 670 1HG GLU 670 3.141 10.588 -33.790 596 HG3 GLU 670 2HG GLU 670 3.201 9.951 -32.141 597 H VAL 671 H VAL 671 -0.628 8.244 -31.554 598 HA VAL 671 HA VAL 671 -0.104 10.384 -29.512 599 HB VAL 671 HB VAL 671 -2.651 8.742 -29.893 600 HG11 VAL 671 1HG1 VAL 671 -3.593 10.238 -28.123 601 HG12 VAL 671 2HG1 VAL 671 -2.279 9.212 -27.531 602 HG13 VAL 671 3HG1 VAL 671 -1.975 10.929 -27.882 603 HG21 VAL 671 1HG2 VAL 671 -2.153 11.689 -30.452 604 HG22 VAL 671 2HG2 VAL 671 -2.550 10.425 -31.635 605 HG23 VAL 671 3HG2 VAL 671 -3.752 10.917 -30.431 606 H TYR 672 H TYR 672 0.782 9.602 -27.673 607 HA TYR 672 HA TYR 672 0.424 6.683 -27.044 608 HB2 TYR 672 1HB TYR 672 2.801 8.539 -26.703 609 HB3 TYR 672 2HB TYR 672 2.586 7.113 -25.676 610 HD1 TYR 672 HD1 TYR 672 3.249 4.966 -26.408 611 HD2 TYR 672 HD2 TYR 672 2.848 8.161 -29.247 612 HE1 TYR 672 HE1 TYR 672 4.213 3.500 -28.173 613 HE2 TYR 672 HE2 TYR 672 3.866 6.698 -31.026 614 HH TYR 672 HH TYR 672 4.826 3.317 -30.365 615 H VAL 673 H VAL 673 -0.296 6.259 -24.981 616 HA VAL 673 HA VAL 673 -0.437 8.545 -23.092 617 HB VAL 673 HB VAL 673 -2.575 8.713 -24.151 618 HG11 VAL 673 1HG1 VAL 673 -4.153 6.718 -24.311 619 HG12 VAL 673 2HG1 VAL 673 -2.773 6.725 -25.427 620 HG13 VAL 673 3HG1 VAL 673 -2.739 5.692 -23.986 621 HG21 VAL 673 1HG2 VAL 673 -2.591 8.755 -21.640 622 HG22 VAL 673 2HG2 VAL 673 -4.145 8.286 -22.364 623 HG23 VAL 673 3HG2 VAL 673 -3.084 7.056 -21.651 624 H VAL 674 H VAL 674 -0.042 7.991 -21.056 625 HA VAL 674 HA VAL 674 -0.305 5.130 -20.260 626 HB VAL 674 HB VAL 674 1.801 5.326 -18.896 627 HG11 VAL 674 1HG1 VAL 674 1.967 4.136 -20.935 628 HG12 VAL 674 2HG1 VAL 674 2.099 5.627 -21.901 629 HG13 VAL 674 3HG1 VAL 674 3.417 5.137 -20.801 630 HG21 VAL 674 1HG2 VAL 674 2.321 7.840 -20.529 631 HG22 VAL 674 2HG2 VAL 674 1.922 7.790 -18.796 632 HG23 VAL 674 3HG2 VAL 674 3.435 7.072 -19.376 633 H ALA 675 H ALA 675 -0.489 4.901 -17.952 634 HA ALA 675 HA ALA 675 -1.586 7.352 -16.620 635 HB1 ALA 675 1HB ALA 675 -2.162 4.411 -16.091 636 HB2 ALA 675 2HB ALA 675 -2.917 5.810 -15.300 637 HB3 ALA 675 3HB ALA 675 -3.210 5.503 -17.021 638 H GLU 676 H GLU 676 -0.966 7.631 -14.406 639 HA GLU 676 HA GLU 676 1.325 5.941 -13.484 640 HB2 GLU 676 1HB GLU 676 2.214 8.013 -14.451 641 HB3 GLU 676 2HB GLU 676 1.073 8.976 -13.520 642 HG2 GLU 676 1HG GLU 676 2.761 7.266 -11.837 643 HG3 GLU 676 2HG GLU 676 3.677 8.406 -12.833 644 H ASN 677 H ASN 677 1.202 5.454 -11.298 645 HA ASN 677 HA ASN 677 -0.735 7.063 -9.743 646 HB2 ASN 677 1HB ASN 677 -1.692 5.215 -8.597 647 HB3 ASN 677 2HB ASN 677 -1.850 4.878 -10.321 648 HD21 ASN 677 1HD2 ASN 677 -0.846 1.686 -9.005 649 HD22 ASN 677 2HD2 ASN 677 -2.242 2.730 -9.179 650 H GLN 678 H GLN 678 -0.208 6.482 -7.312 651 HA GLN 678 HA GLN 678 2.423 7.503 -6.989 652 HB2 GLN 678 1HB GLN 678 1.896 7.364 -4.574 653 HB3 GLN 678 2HB GLN 678 0.642 8.168 -5.550 654 HG2 GLN 678 1HG GLN 678 -0.739 6.156 -5.497 655 HG3 GLN 678 2HG GLN 678 0.525 5.292 -4.592 656 HE21 GLN 678 1HE2 GLN 678 -0.382 6.558 -1.482 657 HE22 GLN 678 2HE2 GLN 678 0.725 5.578 -2.418 658 H GLN 679 H GLN 679 1.767 4.371 -7.768 659 HA GLN 679 HA GLN 679 4.045 3.299 -6.144 660 HB2 GLN 679 1HB GLN 679 1.594 2.076 -7.366 661 HB3 GLN 679 2HB GLN 679 3.069 1.119 -7.322 662 HG2 GLN 679 1HG GLN 679 1.822 0.562 -5.409 663 HG3 GLN 679 2HG GLN 679 3.221 1.497 -4.896 664 HE21 GLN 679 1HE2 GLN 679 -0.420 3.404 -4.762 665 HE22 GLN 679 2HE2 GLN 679 -0.005 2.401 -6.132 666 H GLY 680 H GLY 680 2.742 3.701 -9.466 667 HA2 GLY 680 1HA GLY 680 5.325 3.738 -10.651 668 HA3 GLY 680 2HA GLY 680 4.671 2.096 -10.776 669 H LYS 681 H LYS 681 4.821 2.639 -13.165 670 HA LYS 681 HA LYS 681 2.427 4.230 -13.995 671 HB2 LYS 681 1HB LYS 681 5.024 3.906 -15.522 672 HB3 LYS 681 2HB LYS 681 3.600 4.831 -16.028 673 HG2 LYS 681 1HG LYS 681 4.000 5.997 -13.658 674 HG3 LYS 681 2HG LYS 681 5.661 5.474 -13.960 675 HD2 LYS 681 1HD LYS 681 3.957 7.152 -15.843 676 HD3 LYS 681 2HD LYS 681 5.197 7.780 -14.743 677 HE2 LYS 681 1HE LYS 681 6.856 6.273 -15.922 678 HE3 LYS 681 2HE LYS 681 5.596 5.952 -17.133 679 HZ1 LYS 681 1HZ LYS 681 6.664 8.632 -16.427 680 HZ2 LYS 681 2HZ LYS 681 5.486 8.344 -17.544 681 HZ3 LYS 681 3HZ LYS 681 7.022 7.793 -17.802 682 H SER 682 H SER 682 1.438 3.689 -15.968 683 HA SER 682 HA SER 682 1.026 0.796 -16.102 684 HB2 SER 682 1HB SER 682 -0.962 1.342 -17.205 685 HB3 SER 682 2HB SER 682 -0.720 2.741 -16.176 686 HG SER 682 HG SER 682 -0.240 2.512 -18.961 687 H LYS 683 H LYS 683 0.614 -0.162 -18.319 688 HA LYS 683 HA LYS 683 2.959 0.182 -20.021 689 HB2 LYS 683 1HB LYS 683 1.081 -1.829 -19.557 690 HB3 LYS 683 2HB LYS 683 0.612 -1.195 -21.138 691 HG2 LYS 683 1HG LYS 683 2.917 -1.585 -21.965 692 HG3 LYS 683 2HG LYS 683 3.370 -2.222 -20.374 693 HD2 LYS 683 1HD LYS 683 2.925 -4.084 -21.854 694 HD3 LYS 683 2HD LYS 683 1.637 -4.011 -20.637 695 HE2 LYS 683 1HE LYS 683 0.139 -2.906 -22.248 696 HE3 LYS 683 2HE LYS 683 1.436 -2.866 -23.458 697 HZ1 LYS 683 1HZ LYS 683 1.428 -5.296 -23.443 698 HZ2 LYS 683 2HZ LYS 683 -0.060 -4.711 -23.849 699 HZ3 LYS 683 3HZ LYS 683 0.202 -5.320 -22.339 700 H ALA 684 H ALA 684 2.808 0.942 -22.254 701 HA ALA 684 HA ALA 684 0.975 3.208 -22.497 702 HB1 ALA 684 1HB ALA 684 2.312 3.771 -24.471 703 HB2 ALA 684 2HB ALA 684 3.403 3.355 -23.131 704 HB3 ALA 684 3HB ALA 684 3.104 2.178 -24.434 705 H ALA 685 H ALA 685 -0.341 3.642 -24.279 706 HA ALA 685 HA ALA 685 -0.968 1.370 -26.105 707 HB1 ALA 685 1HB ALA 685 -2.807 1.577 -24.351 708 HB2 ALA 685 2HB ALA 685 -3.032 3.266 -24.871 709 HB3 ALA 685 3HB ALA 685 -3.356 1.938 -26.004 710 H HIS 686 H HIS 686 -1.150 2.179 -28.238 711 HA HIS 686 HA HIS 686 -1.061 5.093 -28.594 712 HB2 HIS 686 1HB HIS 686 0.873 4.907 -30.108 713 HB3 HIS 686 2HB HIS 686 1.232 4.488 -28.433 714 HD1 HIS 686 HD1 HIS 686 1.140 2.991 -31.868 715 HD2 HIS 686 HD2 HIS 686 1.820 1.795 -27.946 716 HE1 HIS 686 HE1 HIS 686 2.178 0.692 -31.979 717 H PHE 687 H PHE 687 -1.639 5.888 -30.616 718 HA PHE 687 HA PHE 687 -2.419 3.932 -32.669 719 HB2 PHE 687 1HB PHE 687 -4.690 4.418 -32.765 720 HB3 PHE 687 2HB PHE 687 -4.367 4.255 -31.035 721 HD1 PHE 687 HD1 PHE 687 -4.076 6.414 -29.642 722 HD2 PHE 687 HD2 PHE 687 -5.629 6.382 -33.656 723 HE1 PHE 687 HE1 PHE 687 -5.134 8.650 -29.255 724 HE2 PHE 687 HE2 PHE 687 -6.673 8.595 -33.273 725 HZ PHE 687 HZ PHE 687 -6.443 9.726 -31.070 726 H VAL 688 H VAL 688 -2.964 4.914 -34.715 727 HA VAL 688 HA VAL 688 -1.833 7.658 -35.072 728 HB VAL 688 HB VAL 688 -1.498 5.208 -36.892 729 HG11 VAL 688 1HG1 VAL 688 -0.003 6.657 -38.250 730 HG12 VAL 688 2HG1 VAL 688 -1.659 7.284 -38.219 731 HG13 VAL 688 3HG1 VAL 688 -0.403 8.042 -37.212 732 HG21 VAL 688 1HG2 VAL 688 -0.036 5.035 -34.937 733 HG22 VAL 688 2HG2 VAL 688 0.936 5.439 -36.363 734 HG23 VAL 688 3HG2 VAL 688 0.535 6.702 -35.178 735 H PHE 689 H PHE 689 -3.091 8.992 -36.428 736 HA PHE 689 HA PHE 689 -5.376 7.742 -37.869 737 HB2 PHE 689 1HB PHE 689 -6.170 8.153 -35.576 738 HB3 PHE 689 2HB PHE 689 -5.653 9.835 -35.685 739 HD1 PHE 689 HD1 PHE 689 -6.978 11.489 -36.864 740 HD2 PHE 689 HD2 PHE 689 -8.117 7.343 -36.910 741 HE1 PHE 689 HE1 PHE 689 -9.201 12.126 -37.765 742 HE2 PHE 689 HE2 PHE 689 -10.334 7.968 -37.851 743 HZ PHE 689 HZ PHE 689 -10.890 10.366 -38.261 744 H ARG 690 H ARG 690 -6.373 9.078 -39.439 745 HA ARG 690 HA ARG 690 -5.536 11.885 -39.765 746 HB2 ARG 690 1HB ARG 690 -5.548 10.543 -42.374 747 HB3 ARG 690 2HB ARG 690 -4.495 11.789 -41.758 748 HG2 ARG 690 1HG ARG 690 -3.004 10.163 -42.189 749 HG3 ARG 690 2HG ARG 690 -3.331 9.850 -40.489 750 HD2 ARG 690 1HD ARG 690 -4.866 8.024 -41.125 751 HD3 ARG 690 2HD ARG 690 -4.510 8.346 -42.839 752 HE ARG 690 HE ARG 690 -2.026 8.021 -41.502 753 HH11 ARG 690 1HH1 ARG 690 -4.807 5.974 -42.292 754 HH12 ARG 690 2HH1 ARG 690 -3.829 4.531 -42.329 755 HH21 ARG 690 1HH2 ARG 690 -0.869 6.207 -41.588 756 HH22 ARG 690 2HH2 ARG 690 -1.621 4.655 -41.930 757 H THR 691 H THR 691 -7.071 12.977 -41.171 758 HA THR 691 HA THR 691 -9.401 11.343 -42.066 759 HB THR 691 HB THR 691 -10.030 12.342 -39.855 760 HG1 THR 691 HG1 THR 691 -11.957 13.131 -40.607 761 HG21 THR 691 1HG2 THR 691 -10.387 14.790 -39.709 762 HG22 THR 691 2HG2 THR 691 -9.527 14.996 -41.249 763 HG23 THR 691 3HG2 THR 691 -8.671 14.355 -39.828 764 H HIS 692 H HIS 692 -10.783 13.380 -43.304 765 HA HIS 692 HA HIS 692 -10.811 14.606 -45.233 766 HB2 HIS 692 1HB HIS 692 -9.539 16.081 -43.483 767 HB3 HIS 692 2HB HIS 692 -8.143 15.804 -44.526 768 HD1 HIS 692 HD1 HIS 692 -11.544 17.487 -44.506 769 HD2 HIS 692 HD2 HIS 692 -8.181 17.176 -46.932 770 HE1 HIS 692 HE1 HIS 692 -11.787 19.237 -46.314 771 H HIS 693 H HIS 693 -9.549 11.980 -45.415 772 HA HIS 693 HA HIS 693 -7.588 12.408 -47.615 773 HB2 HIS 693 1HB HIS 693 -7.441 9.847 -47.443 774 HB3 HIS 693 2HB HIS 693 -6.754 10.788 -46.116 775 HD1 HIS 693 HD1 HIS 693 -7.734 10.434 -43.780 776 HD2 HIS 693 HD2 HIS 693 -9.918 8.554 -46.779 777 HE1 HIS 693 HE1 HIS 693 -9.396 8.923 -42.626 778 H HIS 694 H HIS 694 -8.032 10.731 -49.486 779 HA HIS 694 HA HIS 694 -10.950 10.586 -50.036 780 HB2 HIS 694 1HB HIS 694 -10.662 11.592 -52.218 781 HB3 HIS 694 2HB HIS 694 -10.064 12.719 -50.998 782 HD1 HIS 694 HD1 HIS 694 -7.451 13.145 -50.954 783 HD2 HIS 694 HD2 HIS 694 -8.759 10.607 -53.979 784 HE1 HIS 694 HE1 HIS 694 -5.526 12.887 -52.571 785 H HIS 695 H HIS 695 -11.177 9.417 -52.271 786 HA HIS 695 HA HIS 695 -9.230 7.150 -52.324 787 HB2 HIS 695 1HB HIS 695 -12.191 6.997 -52.960 788 HB3 HIS 695 2HB HIS 695 -11.053 5.655 -52.760 789 HD1 HIS 695 HD1 HIS 695 -9.901 5.815 -50.091 790 HD2 HIS 695 HD2 HIS 695 -13.730 7.279 -50.796 791 HE1 HIS 695 HE1 HIS 695 -11.062 5.931 -47.849 792 H HIS 696 H HIS 696 -9.441 5.980 -54.554 793 HA HIS 696 HA HIS 696 -9.981 7.933 -56.733 794 HB2 HIS 696 1HB HIS 696 -7.559 8.083 -56.017 795 HB3 HIS 696 2HB HIS 696 -7.385 6.372 -56.429 796 HD1 HIS 696 HD1 HIS 696 -7.960 9.776 -58.042 797 HD2 HIS 696 HD2 HIS 696 -7.118 5.840 -59.161 798 HE1 HIS 696 HE1 HIS 696 -7.430 9.820 -60.527 799 H HIS 697 H HIS 697 -10.428 6.932 -58.728 800 HA HIS 697 HA HIS 697 -10.488 3.967 -58.822 801 HB2 HIS 697 1HB HIS 697 -12.755 4.026 -59.736 802 HB3 HIS 697 2HB HIS 697 -12.754 4.732 -58.116 803 HD1 HIS 697 HD1 HIS 697 -12.582 5.986 -61.744 804 HD2 HIS 697 HD2 HIS 697 -14.005 7.121 -58.007 805 HE1 HIS 697 HE1 HIS 697 -13.822 8.158 -62.073 Start of MODEL 8 1 H1 MET 595 1H MET 595 3.675 -0.723 0.546 2 H2 MET 595 2H MET 595 5.129 -0.620 -0.227 3 H3 MET 595 3H MET 595 4.290 0.752 0.141 4 HA MET 595 HA MET 595 2.512 0.143 -1.361 5 HB2 MET 595 1HB MET 595 3.978 0.213 -3.510 6 HB3 MET 595 2HB MET 595 3.974 1.588 -2.412 7 HG2 MET 595 1HG MET 595 6.235 1.074 -3.225 8 HG3 MET 595 2HG MET 595 6.117 0.934 -1.471 9 HE1 MET 595 1HE MET 595 6.696 -0.870 -4.892 10 HE2 MET 595 2HE MET 595 6.658 -2.596 -4.462 11 HE3 MET 595 3HE MET 595 5.151 -1.652 -4.472 12 H GLN 596 H GLN 596 4.191 -2.497 -0.242 13 HA GLN 596 HA GLN 596 4.425 -4.220 -2.413 14 HB2 GLN 596 1HB GLN 596 3.655 -4.902 0.444 15 HB3 GLN 596 2HB GLN 596 4.310 -6.023 -0.752 16 HG2 GLN 596 1HG GLN 596 6.275 -5.540 0.263 17 HG3 GLN 596 2HG GLN 596 6.260 -4.136 -0.811 18 HE21 GLN 596 1HE2 GLN 596 6.446 -3.577 3.115 19 HE22 GLN 596 2HE2 GLN 596 6.833 -5.058 2.272 20 HA PRO 597 HA PRO 597 0.213 -6.036 -1.991 21 HB2 PRO 597 1HB PRO 597 -1.956 -4.793 -0.980 22 HB3 PRO 597 2HB PRO 597 -0.761 -5.598 0.088 23 HG2 PRO 597 1HG PRO 597 -0.966 -2.697 -0.666 24 HG3 PRO 597 2HG PRO 597 -0.873 -3.432 0.966 25 HD2 PRO 597 1HD PRO 597 1.318 -2.460 -0.311 26 HD3 PRO 597 2HD PRO 597 1.406 -3.905 0.753 27 H VAL 598 H VAL 598 0.800 -2.856 -3.164 28 HA VAL 598 HA VAL 598 -1.554 -3.054 -4.975 29 HB VAL 598 HB VAL 598 -1.950 -0.961 -4.219 30 HG11 VAL 598 1HG1 VAL 598 -0.305 -1.029 -2.411 31 HG12 VAL 598 2HG1 VAL 598 0.981 -0.566 -3.560 32 HG13 VAL 598 3HG1 VAL 598 -0.333 0.564 -3.182 33 HG21 VAL 598 1HG2 VAL 598 0.397 -0.144 -5.985 34 HG22 VAL 598 2HG2 VAL 598 -1.194 -0.625 -6.603 35 HG23 VAL 598 3HG2 VAL 598 -1.047 0.808 -5.586 36 H ARG 599 H ARG 599 -1.309 -3.430 -7.009 37 HA ARG 599 HA ARG 599 1.419 -3.703 -8.120 38 HB2 ARG 599 1HB ARG 599 0.339 -4.935 -9.907 39 HB3 ARG 599 2HB ARG 599 -0.305 -5.525 -8.367 40 HG2 ARG 599 1HG ARG 599 -2.262 -3.926 -8.722 41 HG3 ARG 599 2HG ARG 599 -1.642 -3.664 -10.351 42 HD2 ARG 599 1HD ARG 599 -3.217 -5.304 -10.696 43 HD3 ARG 599 2HD ARG 599 -1.744 -6.278 -10.521 44 HE ARG 599 HE ARG 599 -2.626 -6.199 -7.965 45 HH11 ARG 599 1HH1 ARG 599 -4.431 -6.896 -10.919 46 HH12 ARG 599 2HH1 ARG 599 -5.579 -7.905 -10.084 47 HH21 ARG 599 1HH2 ARG 599 -4.132 -7.491 -6.973 48 HH22 ARG 599 2HH2 ARG 599 -5.410 -8.234 -7.893 49 H GLU 600 H GLU 600 1.839 -2.825 -10.297 50 HA GLU 600 HA GLU 600 1.177 -0.053 -10.489 51 HB2 GLU 600 1HB GLU 600 2.355 -1.988 -12.523 52 HB3 GLU 600 2HB GLU 600 2.281 -0.238 -12.739 53 HG2 GLU 600 1HG GLU 600 3.733 -1.522 -10.419 54 HG3 GLU 600 2HG GLU 600 4.493 -1.199 -11.985 55 HA PRO 601 HA PRO 601 -2.631 -0.306 -12.676 56 HB2 PRO 601 1HB PRO 601 -2.593 1.926 -14.277 57 HB3 PRO 601 2HB PRO 601 -2.804 1.991 -12.505 58 HG2 PRO 601 1HG PRO 601 -0.318 2.374 -14.106 59 HG3 PRO 601 2HG PRO 601 -0.973 3.393 -12.801 60 HD2 PRO 601 1HD PRO 601 0.993 1.603 -12.384 61 HD3 PRO 601 2HD PRO 601 -0.285 1.894 -11.155 62 H SER 602 H SER 602 -3.619 -0.843 -14.578 63 HA SER 602 HA SER 602 -2.001 -2.150 -16.582 64 HB2 SER 602 1HB SER 602 -4.217 -2.995 -15.751 65 HB3 SER 602 2HB SER 602 -4.996 -1.624 -16.565 66 HG SER 602 HG SER 602 -4.946 -3.564 -17.829 67 H ALA 603 H ALA 603 -2.122 -1.683 -18.864 68 HA ALA 603 HA ALA 603 -1.522 0.992 -19.490 69 HB1 ALA 603 1HB ALA 603 -2.564 -1.115 -21.437 70 HB2 ALA 603 2HB ALA 603 -1.496 0.261 -21.804 71 HB3 ALA 603 3HB ALA 603 -0.898 -1.090 -20.816 72 HA PRO 604 HA PRO 604 -5.525 2.796 -19.873 73 HB2 PRO 604 1HB PRO 604 -5.090 4.803 -21.696 74 HB3 PRO 604 2HB PRO 604 -4.493 4.874 -20.008 75 HG2 PRO 604 1HG PRO 604 -3.065 4.021 -22.475 76 HG3 PRO 604 2HG PRO 604 -2.555 5.179 -21.216 77 HD2 PRO 604 1HD PRO 604 -1.671 2.660 -21.242 78 HD3 PRO 604 2HD PRO 604 -2.068 3.490 -19.696 79 H LYS 605 H LYS 605 -7.307 3.048 -21.289 80 HA LYS 605 HA LYS 605 -7.302 0.997 -23.417 81 HB2 LYS 605 1HB LYS 605 -9.286 2.453 -21.721 82 HB3 LYS 605 2HB LYS 605 -9.831 2.029 -23.340 83 HG2 LYS 605 1HG LYS 605 -10.451 0.320 -21.636 84 HG3 LYS 605 2HG LYS 605 -9.471 -0.325 -22.954 85 HD2 LYS 605 1HD LYS 605 -8.711 -1.324 -20.888 86 HD3 LYS 605 2HD LYS 605 -7.446 -0.248 -21.477 87 HE2 LYS 605 1HE LYS 605 -8.256 1.506 -19.853 88 HE3 LYS 605 2HE LYS 605 -9.404 0.312 -19.207 89 HZ1 LYS 605 1HZ LYS 605 -7.506 -1.106 -18.676 90 HZ2 LYS 605 2HZ LYS 605 -7.323 0.352 -17.929 91 HZ3 LYS 605 3HZ LYS 605 -6.444 0.000 -19.283 92 H LEU 606 H LEU 606 -8.461 1.559 -25.507 93 HA LEU 606 HA LEU 606 -8.417 4.378 -26.262 94 HB2 LEU 606 1HB LEU 606 -6.030 3.721 -26.525 95 HB3 LEU 606 2HB LEU 606 -6.504 2.388 -27.560 96 HG LEU 606 HG LEU 606 -5.521 4.511 -28.611 97 HD11 LEU 606 1HD1 LEU 606 -6.856 4.330 -30.647 98 HD12 LEU 606 2HD1 LEU 606 -8.136 3.477 -29.768 99 HD13 LEU 606 3HD1 LEU 606 -6.543 2.724 -29.959 100 HD21 LEU 606 1HD2 LEU 606 -7.064 6.309 -29.155 101 HD22 LEU 606 2HD2 LEU 606 -6.907 6.124 -27.399 102 HD23 LEU 606 3HD2 LEU 606 -8.357 5.528 -28.228 103 H GLU 607 H GLU 607 -10.316 4.487 -27.299 104 HA GLU 607 HA GLU 607 -11.052 2.178 -29.027 105 HB2 GLU 607 1HB GLU 607 -13.039 4.076 -27.819 106 HB3 GLU 607 2HB GLU 607 -13.314 2.472 -28.489 107 HG2 GLU 607 1HG GLU 607 -12.000 3.210 -25.842 108 HG3 GLU 607 2HG GLU 607 -13.539 2.384 -26.073 109 H GLY 608 H GLY 608 -9.858 5.248 -29.199 110 HA2 GLY 608 1HA GLY 608 -9.567 6.671 -30.952 111 HA3 GLY 608 2HA GLY 608 -10.073 5.333 -31.970 112 H GLN 609 H GLN 609 -11.868 7.654 -29.792 113 HA GLN 609 HA GLN 609 -14.009 7.740 -31.809 114 HB2 GLN 609 1HB GLN 609 -13.489 9.124 -29.166 115 HB3 GLN 609 2HB GLN 609 -14.830 9.611 -30.208 116 HG2 GLN 609 1HG GLN 609 -15.588 8.096 -28.451 117 HG3 GLN 609 2HG GLN 609 -15.811 7.388 -30.058 118 HE21 GLN 609 1HE2 GLN 609 -14.183 4.488 -29.168 119 HE22 GLN 609 2HE2 GLN 609 -15.468 5.299 -30.023 120 H MET 610 H MET 610 -13.647 8.850 -33.632 121 HA MET 610 HA MET 610 -11.669 10.873 -33.914 122 HB2 MET 610 1HB MET 610 -12.559 11.225 -36.100 123 HB3 MET 610 2HB MET 610 -12.652 9.494 -35.759 124 HG2 MET 610 1HG MET 610 -15.061 9.725 -35.254 125 HG3 MET 610 2HG MET 610 -14.959 11.465 -35.591 126 HE1 MET 610 1HE MET 610 -17.141 9.855 -37.083 127 HE2 MET 610 2HE MET 610 -16.769 11.561 -37.432 128 HE3 MET 610 3HE MET 610 -16.898 10.387 -38.764 129 H GLY 611 H GLY 611 -11.889 13.140 -34.328 130 HA2 GLY 611 1HA GLY 611 -14.145 14.345 -32.804 131 HA3 GLY 611 2HA GLY 611 -12.594 15.118 -33.173 132 H GLU 612 H GLU 612 -15.848 14.859 -34.055 133 HA GLU 612 HA GLU 612 -15.524 15.445 -36.906 134 HB2 GLU 612 1HB GLU 612 -17.932 15.879 -36.871 135 HB3 GLU 612 2HB GLU 612 -17.550 14.331 -36.122 136 HG2 GLU 612 1HG GLU 612 -17.921 16.760 -34.369 137 HG3 GLU 612 2HG GLU 612 -19.332 15.940 -35.054 138 H ASP 613 H ASP 613 -15.085 17.082 -34.014 139 HA ASP 613 HA ASP 613 -15.784 19.777 -34.640 140 HB2 ASP 613 1HB ASP 613 -13.237 19.152 -33.163 141 HB3 ASP 613 2HB ASP 613 -14.495 20.314 -32.754 142 H GLY 614 H GLY 614 -13.280 17.616 -35.685 143 HA2 GLY 614 1HA GLY 614 -11.672 17.886 -37.338 144 HA3 GLY 614 2HA GLY 614 -12.143 19.591 -37.524 145 H ASN 615 H ASN 615 -9.440 18.478 -37.325 146 HA ASN 615 HA ASN 615 -7.440 18.907 -36.311 147 HB2 ASN 615 1HB ASN 615 -8.782 21.255 -36.548 148 HB3 ASN 615 2HB ASN 615 -8.540 21.245 -34.798 149 HD21 ASN 615 1HD2 ASN 615 -4.939 21.344 -35.162 150 HD22 ASN 615 2HD2 ASN 615 -6.183 20.488 -34.262 151 H SER 616 H SER 616 -9.651 17.371 -34.725 152 HA SER 616 HA SER 616 -8.258 17.321 -32.119 153 HB2 SER 616 1HB SER 616 -11.267 17.654 -32.323 154 HB3 SER 616 2HB SER 616 -10.255 17.735 -30.867 155 HG SER 616 HG SER 616 -10.485 19.592 -33.002 156 H ILE 617 H ILE 617 -8.981 15.518 -30.710 157 HA ILE 617 HA ILE 617 -10.760 13.474 -31.852 158 HB ILE 617 HB ILE 617 -8.505 12.991 -32.894 159 HG12 ILE 617 1HG1 ILE 617 -9.186 10.711 -31.065 160 HG13 ILE 617 2HG1 ILE 617 -10.409 11.327 -32.166 161 HG21 ILE 617 1HG2 ILE 617 -7.648 12.206 -30.065 162 HG22 ILE 617 2HG2 ILE 617 -6.689 12.053 -31.555 163 HG23 ILE 617 3HG2 ILE 617 -7.088 13.658 -30.924 164 HD11 ILE 617 1HD1 ILE 617 -7.706 10.308 -33.019 165 HD12 ILE 617 2HD1 ILE 617 -9.232 9.395 -33.077 166 HD13 ILE 617 3HD1 ILE 617 -9.028 10.848 -34.077 167 H LYS 618 H LYS 618 -11.285 11.776 -30.261 168 HA LYS 618 HA LYS 618 -10.546 12.578 -27.461 169 HB2 LYS 618 1HB LYS 618 -12.975 10.957 -28.246 170 HB3 LYS 618 2HB LYS 618 -12.640 11.734 -26.708 171 HG2 LYS 618 1HG LYS 618 -14.160 13.218 -27.484 172 HG3 LYS 618 2HG LYS 618 -12.741 13.932 -28.264 173 HD2 LYS 618 1HD LYS 618 -13.320 13.052 -30.387 174 HD3 LYS 618 2HD LYS 618 -14.330 11.786 -29.687 175 HE2 LYS 618 1HE LYS 618 -15.890 13.654 -28.886 176 HE3 LYS 618 2HE LYS 618 -14.956 14.745 -29.933 177 HZ1 LYS 618 1HZ LYS 618 -16.664 12.484 -30.701 178 HZ2 LYS 618 2HZ LYS 618 -15.458 12.973 -31.710 179 HZ3 LYS 618 3HZ LYS 618 -16.658 14.023 -31.300 180 H VAL 619 H VAL 619 -9.585 11.022 -26.235 181 HA VAL 619 HA VAL 619 -9.562 8.244 -27.344 182 HB VAL 619 HB VAL 619 -7.338 8.324 -27.609 183 HG11 VAL 619 1HG1 VAL 619 -7.312 11.049 -26.234 184 HG12 VAL 619 2HG1 VAL 619 -5.946 10.321 -27.102 185 HG13 VAL 619 3HG1 VAL 619 -7.427 10.732 -27.984 186 HG21 VAL 619 1HG2 VAL 619 -7.236 7.322 -25.354 187 HG22 VAL 619 2HG2 VAL 619 -5.815 8.334 -25.667 188 HG23 VAL 619 3HG2 VAL 619 -7.122 8.937 -24.627 189 H ASN 620 H ASN 620 -9.954 6.652 -25.871 190 HA ASN 620 HA ASN 620 -11.473 7.420 -23.555 191 HB2 ASN 620 1HB ASN 620 -10.783 4.948 -25.000 192 HB3 ASN 620 2HB ASN 620 -10.869 4.725 -23.248 193 HD21 ASN 620 1HD2 ASN 620 -14.236 5.689 -25.339 194 HD22 ASN 620 2HD2 ASN 620 -12.679 6.026 -26.025 195 H LEU 621 H LEU 621 -11.057 7.218 -21.389 196 HA LEU 621 HA LEU 621 -8.239 6.660 -20.701 197 HB2 LEU 621 1HB LEU 621 -9.183 9.132 -20.788 198 HB3 LEU 621 2HB LEU 621 -9.714 8.718 -19.170 199 HG LEU 621 HG LEU 621 -7.402 8.346 -18.470 200 HD11 LEU 621 1HD1 LEU 621 -5.530 8.974 -20.071 201 HD12 LEU 621 2HD1 LEU 621 -6.712 8.848 -21.393 202 HD13 LEU 621 3HD1 LEU 621 -6.321 7.426 -20.411 203 HD21 LEU 621 1HD2 LEU 621 -7.922 10.889 -20.089 204 HD22 LEU 621 2HD2 LEU 621 -6.594 10.717 -18.930 205 HD23 LEU 621 3HD2 LEU 621 -8.269 10.611 -18.376 206 H ILE 622 H ILE 622 -7.815 5.946 -18.607 207 HA ILE 622 HA ILE 622 -9.561 3.893 -17.696 208 HB ILE 622 HB ILE 622 -7.323 5.437 -16.320 209 HG12 ILE 622 1HG1 ILE 622 -6.909 2.643 -17.140 210 HG13 ILE 622 2HG1 ILE 622 -7.140 3.758 -18.485 211 HG21 ILE 622 1HG2 ILE 622 -8.732 2.906 -15.487 212 HG22 ILE 622 2HG2 ILE 622 -7.150 3.387 -14.867 213 HG23 ILE 622 3HG2 ILE 622 -8.552 4.423 -14.569 214 HD11 ILE 622 1HD1 ILE 622 -5.315 5.131 -17.722 215 HD12 ILE 622 2HD1 ILE 622 -5.140 4.130 -16.254 216 HD13 ILE 622 3HD1 ILE 622 -4.773 3.434 -17.844 217 H LYS 623 H LYS 623 -11.308 3.955 -16.368 218 HA LYS 623 HA LYS 623 -11.689 6.398 -14.715 219 HB2 LYS 623 1HB LYS 623 -14.158 6.112 -15.033 220 HB3 LYS 623 2HB LYS 623 -13.232 6.654 -16.420 221 HG2 LYS 623 1HG LYS 623 -14.788 5.162 -17.302 222 HG3 LYS 623 2HG LYS 623 -13.279 4.246 -17.270 223 HD2 LYS 623 1HD LYS 623 -13.998 3.138 -15.204 224 HD3 LYS 623 2HD LYS 623 -15.504 4.080 -15.213 225 HE2 LYS 623 1HE LYS 623 -16.198 3.072 -17.284 226 HE3 LYS 623 2HE LYS 623 -14.607 2.306 -17.500 227 HZ1 LYS 623 1HZ LYS 623 -16.270 0.768 -16.617 228 HZ2 LYS 623 2HZ LYS 623 -16.446 1.701 -15.266 229 HZ3 LYS 623 3HZ LYS 623 -14.999 0.963 -15.580 230 H GLN 624 H GLN 624 -10.650 3.510 -14.193 231 HA GLN 624 HA GLN 624 -12.016 3.327 -11.584 232 HB2 GLN 624 1HB GLN 624 -12.416 0.970 -11.710 233 HB3 GLN 624 2HB GLN 624 -13.255 1.752 -13.046 234 HG2 GLN 624 1HG GLN 624 -10.528 0.493 -13.441 235 HG3 GLN 624 2HG GLN 624 -11.999 -0.480 -13.464 236 HE21 GLN 624 1HE2 GLN 624 -10.890 1.544 -16.716 237 HE22 GLN 624 2HE2 GLN 624 -9.889 1.345 -15.281 238 H ASP 625 H ASP 625 -10.763 1.525 -10.204 239 HA ASP 625 HA ASP 625 -7.929 2.211 -10.459 240 HB2 ASP 625 1HB ASP 625 -7.659 0.787 -8.445 241 HB3 ASP 625 2HB ASP 625 -8.851 2.074 -8.226 242 H ASP 626 H ASP 626 -6.802 1.298 -11.992 243 HA ASP 626 HA ASP 626 -7.592 -1.196 -13.237 244 HB2 ASP 626 1HB ASP 626 -5.506 0.895 -13.637 245 HB3 ASP 626 2HB ASP 626 -5.241 -0.677 -14.367 246 H GLY 627 H GLY 627 -6.259 -1.059 -10.317 247 HA2 GLY 627 1HA GLY 627 -5.155 -3.666 -10.560 248 HA3 GLY 627 2HA GLY 627 -3.834 -2.499 -10.579 249 H GLY 628 H GLY 628 -3.299 -1.344 -8.743 250 HA2 GLY 628 1HA GLY 628 -4.328 -2.690 -6.280 251 HA3 GLY 628 2HA GLY 628 -2.750 -1.964 -6.472 252 H SER 629 H SER 629 -4.122 0.483 -7.735 253 HA SER 629 HA SER 629 -5.543 1.659 -5.460 254 HB2 SER 629 1HB SER 629 -3.097 1.793 -4.808 255 HB3 SER 629 2HB SER 629 -2.784 2.688 -6.304 256 HG SER 629 HG SER 629 -4.399 3.466 -4.106 257 HA PRO 630 HA PRO 630 -7.009 3.685 -9.079 258 HB2 PRO 630 1HB PRO 630 -7.846 6.151 -8.220 259 HB3 PRO 630 2HB PRO 630 -8.731 4.638 -7.840 260 HG2 PRO 630 1HG PRO 630 -6.698 6.096 -6.167 261 HG3 PRO 630 2HG PRO 630 -8.352 5.559 -5.718 262 HD2 PRO 630 1HD PRO 630 -6.234 4.069 -5.074 263 HD3 PRO 630 2HD PRO 630 -7.723 3.283 -5.700 264 H ILE 631 H ILE 631 -6.522 5.235 -10.637 265 HA ILE 631 HA ILE 631 -3.757 6.021 -10.700 266 HB ILE 631 HB ILE 631 -6.131 6.549 -12.553 267 HG12 ILE 631 1HG1 ILE 631 -4.767 5.159 -14.139 268 HG13 ILE 631 2HG1 ILE 631 -3.583 4.882 -12.859 269 HG21 ILE 631 1HG2 ILE 631 -3.249 7.469 -12.762 270 HG22 ILE 631 2HG2 ILE 631 -4.290 7.323 -14.164 271 HG23 ILE 631 3HG2 ILE 631 -4.727 8.449 -12.881 272 HD11 ILE 631 1HD1 ILE 631 -5.080 3.477 -11.678 273 HD12 ILE 631 2HD1 ILE 631 -6.468 4.010 -12.665 274 HD13 ILE 631 3HD1 ILE 631 -5.180 3.025 -13.392 275 H ARG 632 H ARG 632 -2.861 8.079 -10.431 276 HA ARG 632 HA ARG 632 -4.554 10.029 -8.962 277 HB2 ARG 632 1HB ARG 632 -1.586 9.693 -9.495 278 HB3 ARG 632 2HB ARG 632 -2.245 11.244 -9.004 279 HG2 ARG 632 1HG ARG 632 -3.093 10.232 -6.901 280 HG3 ARG 632 2HG ARG 632 -2.347 8.670 -7.345 281 HD2 ARG 632 1HD ARG 632 -0.819 9.929 -5.888 282 HD3 ARG 632 2HD ARG 632 -0.141 9.803 -7.517 283 HE ARG 632 HE ARG 632 -0.448 12.097 -7.867 284 HH11 ARG 632 1HH1 ARG 632 -1.747 11.218 -4.676 285 HH12 ARG 632 2HH1 ARG 632 -1.832 12.891 -4.181 286 HH21 ARG 632 1HH2 ARG 632 -0.618 14.155 -7.167 287 HH22 ARG 632 2HH2 ARG 632 -1.196 14.523 -5.559 288 H HIS 633 H HIS 633 -2.386 9.832 -11.822 289 HA HIS 633 HA HIS 633 -3.862 12.108 -13.050 290 HB2 HIS 633 1HB HIS 633 -0.828 11.929 -13.024 291 HB3 HIS 633 2HB HIS 633 -1.830 13.271 -13.596 292 HD1 HIS 633 HD1 HIS 633 -3.442 14.235 -11.384 293 HD2 HIS 633 HD2 HIS 633 0.256 12.476 -10.654 294 HE1 HIS 633 HE1 HIS 633 -2.725 14.999 -9.091 295 H TYR 634 H TYR 634 -3.369 12.368 -15.349 296 HA TYR 634 HA TYR 634 -2.317 9.873 -16.639 297 HB2 TYR 634 1HB TYR 634 -4.480 11.764 -17.631 298 HB3 TYR 634 2HB TYR 634 -3.846 10.356 -18.503 299 HD1 TYR 634 HD1 TYR 634 -6.327 11.515 -16.177 300 HD2 TYR 634 HD2 TYR 634 -4.013 8.061 -17.307 301 HE1 TYR 634 HE1 TYR 634 -7.910 10.020 -14.945 302 HE2 TYR 634 HE2 TYR 634 -5.588 6.610 -16.061 303 HH TYR 634 HH TYR 634 -8.517 7.796 -14.541 304 H LEU 635 H LEU 635 -0.951 10.162 -18.357 305 HA LEU 635 HA LEU 635 -0.130 12.984 -18.913 306 HB2 LEU 635 1HB LEU 635 1.699 10.595 -18.596 307 HB3 LEU 635 2HB LEU 635 2.207 12.235 -18.937 308 HG LEU 635 HG LEU 635 0.788 11.438 -16.366 309 HD11 LEU 635 1HD1 LEU 635 2.964 11.281 -15.287 310 HD12 LEU 635 2HD1 LEU 635 3.783 11.586 -16.843 311 HD13 LEU 635 3HD1 LEU 635 2.834 10.096 -16.600 312 HD21 LEU 635 1HD2 LEU 635 0.779 13.842 -16.862 313 HD22 LEU 635 2HD2 LEU 635 2.546 13.819 -17.073 314 HD23 LEU 635 3HD2 LEU 635 1.831 13.484 -15.478 315 H VAL 636 H VAL 636 -0.261 13.400 -21.041 316 HA VAL 636 HA VAL 636 -0.166 11.076 -22.943 317 HB VAL 636 HB VAL 636 -1.637 13.666 -23.528 318 HG11 VAL 636 1HG1 VAL 636 -1.240 12.251 -25.445 319 HG12 VAL 636 2HG1 VAL 636 -1.880 10.834 -24.586 320 HG13 VAL 636 3HG1 VAL 636 -2.961 12.170 -25.025 321 HG21 VAL 636 1HG2 VAL 636 -3.765 12.454 -22.842 322 HG22 VAL 636 2HG2 VAL 636 -2.741 11.242 -22.047 323 HG23 VAL 636 3HG2 VAL 636 -2.723 12.933 -21.492 324 H ARG 637 H ARG 637 1.027 11.334 -24.833 325 HA ARG 637 HA ARG 637 2.439 13.944 -25.262 326 HB2 ARG 637 1HB ARG 637 3.997 12.559 -23.978 327 HB3 ARG 637 2HB ARG 637 3.687 11.165 -25.027 328 HG2 ARG 637 1HG ARG 637 4.849 12.073 -26.817 329 HG3 ARG 637 2HG ARG 637 4.813 13.710 -26.164 330 HD2 ARG 637 1HD ARG 637 6.351 11.407 -24.940 331 HD3 ARG 637 2HD ARG 637 7.042 12.622 -26.035 332 HE ARG 637 HE ARG 637 5.729 13.941 -23.859 333 HH11 ARG 637 1HH1 ARG 637 8.676 12.104 -24.523 334 HH12 ARG 637 2HH1 ARG 637 9.544 12.858 -23.213 335 HH21 ARG 637 1HH2 ARG 637 6.873 14.838 -22.225 336 HH22 ARG 637 2HH2 ARG 637 8.546 14.399 -21.939 337 H TYR 638 H TYR 638 2.326 14.423 -27.470 338 HA TYR 638 HA TYR 638 1.860 12.177 -29.329 339 HB2 TYR 638 1HB TYR 638 -0.154 13.105 -30.266 340 HB3 TYR 638 2HB TYR 638 -0.395 12.840 -28.541 341 HD1 TYR 638 HD1 TYR 638 -0.671 15.183 -31.243 342 HD2 TYR 638 HD2 TYR 638 -0.121 14.954 -26.975 343 HE1 TYR 638 HE1 TYR 638 -1.476 17.535 -31.002 344 HE2 TYR 638 HE2 TYR 638 -0.902 17.309 -26.762 345 HH TYR 638 HH TYR 638 -2.106 19.182 -29.532 346 H ARG 639 H ARG 639 2.041 12.777 -31.571 347 HA ARG 639 HA ARG 639 3.356 15.399 -32.115 348 HB2 ARG 639 1HB ARG 639 5.253 14.096 -31.544 349 HB3 ARG 639 2HB ARG 639 4.641 12.661 -32.298 350 HG2 ARG 639 1HG ARG 639 5.089 14.882 -34.147 351 HG3 ARG 639 2HG ARG 639 6.542 14.300 -33.331 352 HD2 ARG 639 1HD ARG 639 6.301 12.128 -34.176 353 HD3 ARG 639 2HD ARG 639 4.585 12.369 -34.564 354 HE ARG 639 HE ARG 639 5.975 14.240 -36.099 355 HH11 ARG 639 1HH1 ARG 639 5.828 10.698 -35.879 356 HH12 ARG 639 2HH1 ARG 639 6.258 10.505 -37.566 357 HH21 ARG 639 1HH2 ARG 639 6.502 13.904 -38.214 358 HH22 ARG 639 2HH2 ARG 639 6.636 12.289 -38.861 359 H ALA 640 H ALA 640 3.059 16.003 -34.259 360 HA ALA 640 HA ALA 640 1.340 14.169 -35.861 361 HB1 ALA 640 1HB ALA 640 0.347 16.378 -35.014 362 HB2 ALA 640 2HB ALA 640 1.484 17.188 -36.122 363 HB3 ALA 640 3HB ALA 640 0.259 16.076 -36.758 364 H LEU 641 H LEU 641 1.601 14.516 -38.297 365 HA LEU 641 HA LEU 641 4.296 14.042 -39.017 366 HB2 LEU 641 1HB LEU 641 2.280 13.438 -40.357 367 HB3 LEU 641 2HB LEU 641 2.036 15.142 -40.724 368 HG LEU 641 HG LEU 641 4.199 15.171 -41.950 369 HD11 LEU 641 1HD1 LEU 641 5.220 12.965 -42.572 370 HD12 LEU 641 2HD1 LEU 641 4.185 12.180 -41.356 371 HD13 LEU 641 3HD1 LEU 641 5.415 13.371 -40.860 372 HD21 LEU 641 1HD2 LEU 641 2.202 13.046 -42.830 373 HD22 LEU 641 2HD2 LEU 641 3.391 13.853 -43.881 374 HD23 LEU 641 3HD2 LEU 641 2.090 14.798 -43.133 375 H SER 642 H SER 642 2.359 17.000 -38.993 376 HA SER 642 HA SER 642 4.611 18.622 -39.985 377 HB2 SER 642 1HB SER 642 1.908 19.606 -39.071 378 HB3 SER 642 2HB SER 642 3.015 20.333 -40.257 379 HG SER 642 HG SER 642 1.340 18.066 -40.483 380 H SER 643 H SER 643 4.147 17.433 -36.953 381 HA SER 643 HA SER 643 5.021 20.000 -35.702 382 HB2 SER 643 1HB SER 643 2.827 18.214 -34.613 383 HB3 SER 643 2HB SER 643 3.475 19.672 -33.835 384 HG SER 643 HG SER 643 2.788 20.241 -36.365 385 H GLU 644 H GLU 644 5.752 19.839 -33.500 386 HA GLU 644 HA GLU 644 7.677 17.700 -33.131 387 HB2 GLU 644 1HB GLU 644 8.320 18.985 -31.174 388 HB3 GLU 644 2HB GLU 644 8.009 20.118 -32.502 389 HG2 GLU 644 1HG GLU 644 5.727 20.549 -31.572 390 HG3 GLU 644 2HG GLU 644 6.084 19.455 -30.232 391 H TRP 645 H TRP 645 7.861 16.524 -31.032 392 HA TRP 645 HA TRP 645 5.425 15.330 -30.051 393 HB2 TRP 645 1HB TRP 645 8.290 15.433 -29.037 394 HB3 TRP 645 2HB TRP 645 6.995 14.634 -28.140 395 HD1 TRP 645 HD1 TRP 645 9.414 14.021 -30.938 396 HE1 TRP 645 HE1 TRP 645 9.096 11.701 -31.937 397 HE3 TRP 645 HE3 TRP 645 4.944 12.920 -28.733 398 HZ2 TRP 645 HZ2 TRP 645 7.164 9.605 -31.770 399 HZ3 TRP 645 HZ3 TRP 645 3.894 10.695 -29.181 400 HH2 TRP 645 HH2 TRP 645 5.019 9.058 -30.687 401 H LYS 646 H LYS 646 3.936 16.515 -29.003 402 HA LYS 646 HA LYS 646 4.665 18.893 -27.511 403 HB2 LYS 646 1HB LYS 646 2.119 17.242 -27.274 404 HB3 LYS 646 2HB LYS 646 2.339 18.919 -26.774 405 HG2 LYS 646 1HG LYS 646 2.222 17.800 -29.607 406 HG3 LYS 646 2HG LYS 646 1.098 18.922 -28.845 407 HD2 LYS 646 1HD LYS 646 3.983 19.571 -29.583 408 HD3 LYS 646 2HD LYS 646 2.566 20.001 -30.538 409 HE2 LYS 646 1HE LYS 646 1.719 21.394 -28.682 410 HE3 LYS 646 2HE LYS 646 3.144 20.962 -27.708 411 HZ1 LYS 646 1HZ LYS 646 3.407 23.098 -28.860 412 HZ2 LYS 646 2HZ LYS 646 3.273 22.351 -30.324 413 HZ3 LYS 646 3HZ LYS 646 4.557 22.016 -29.338 414 HA PRO 647 HA PRO 647 6.418 16.682 -24.339 415 HB2 PRO 647 1HB PRO 647 6.398 18.364 -22.173 416 HB3 PRO 647 2HB PRO 647 7.395 18.641 -23.639 417 HG2 PRO 647 1HG PRO 647 4.694 19.797 -22.958 418 HG3 PRO 647 2HG PRO 647 6.182 20.644 -23.490 419 HD2 PRO 647 1HD PRO 647 4.226 20.009 -25.242 420 HD3 PRO 647 2HD PRO 647 5.965 19.882 -25.701 421 H GLU 648 H GLU 648 3.358 18.112 -23.009 422 HA GLU 648 HA GLU 648 2.697 15.524 -21.801 423 HB2 GLU 648 1HB GLU 648 4.041 16.157 -19.999 424 HB3 GLU 648 2HB GLU 648 3.791 17.876 -20.271 425 HG2 GLU 648 1HG GLU 648 1.397 16.340 -19.321 426 HG3 GLU 648 2HG GLU 648 2.725 16.494 -18.187 427 H ILE 649 H ILE 649 0.477 15.336 -21.617 428 HA ILE 649 HA ILE 649 -1.030 17.871 -21.260 429 HB ILE 649 HB ILE 649 -2.066 15.340 -22.605 430 HG12 ILE 649 1HG1 ILE 649 -0.453 16.507 -24.086 431 HG13 ILE 649 2HG1 ILE 649 -2.090 16.466 -24.722 432 HG21 ILE 649 1HG2 ILE 649 -3.360 18.054 -22.156 433 HG22 ILE 649 2HG2 ILE 649 -4.066 16.736 -23.126 434 HG23 ILE 649 3HG2 ILE 649 -3.792 16.514 -21.389 435 HD11 ILE 649 1HD1 ILE 649 -2.449 18.804 -24.233 436 HD12 ILE 649 2HD1 ILE 649 -0.931 18.905 -23.310 437 HD13 ILE 649 3HD1 ILE 649 -0.889 18.655 -25.063 438 H ARG 650 H ARG 650 -1.409 17.849 -19.250 439 HA ARG 650 HA ARG 650 -1.404 15.612 -17.413 440 HB2 ARG 650 1HB ARG 650 -2.149 17.332 -15.808 441 HB3 ARG 650 2HB ARG 650 -0.833 17.962 -16.796 442 HG2 ARG 650 1HG ARG 650 -2.758 18.979 -18.322 443 HG3 ARG 650 2HG ARG 650 -3.893 18.649 -16.991 444 HD2 ARG 650 1HD ARG 650 -2.922 20.992 -16.925 445 HD3 ARG 650 2HD ARG 650 -2.328 20.070 -15.520 446 HE ARG 650 HE ARG 650 -0.496 19.714 -17.695 447 HH11 ARG 650 1HH1 ARG 650 -1.450 22.297 -15.471 448 HH12 ARG 650 2HH1 ARG 650 0.121 23.048 -15.549 449 HH21 ARG 650 1HH2 ARG 650 1.454 20.677 -17.717 450 HH22 ARG 650 2HH2 ARG 650 1.735 22.157 -16.824 451 H LEU 651 H LEU 651 -3.246 14.452 -16.613 452 HA LEU 651 HA LEU 651 -5.630 16.093 -16.549 453 HB2 LEU 651 1HB LEU 651 -5.518 13.768 -18.368 454 HB3 LEU 651 2HB LEU 651 -6.921 13.823 -17.320 455 HG LEU 651 HG LEU 651 -7.862 14.979 -18.972 456 HD11 LEU 651 1HD1 LEU 651 -7.568 17.509 -19.043 457 HD12 LEU 651 2HD1 LEU 651 -6.161 17.421 -17.913 458 HD13 LEU 651 3HD1 LEU 651 -7.816 16.880 -17.413 459 HD21 LEU 651 1HD2 LEU 651 -6.898 15.552 -20.941 460 HD22 LEU 651 2HD2 LEU 651 -5.535 14.599 -20.308 461 HD23 LEU 651 3HD2 LEU 651 -5.518 16.366 -20.185 462 HA PRO 652 HA PRO 652 -5.880 14.253 -12.655 463 HB2 PRO 652 1HB PRO 652 -8.439 14.669 -11.888 464 HB3 PRO 652 2HB PRO 652 -7.376 16.075 -12.267 465 HG2 PRO 652 1HG PRO 652 -9.364 14.656 -14.053 466 HG3 PRO 652 2HG PRO 652 -9.271 16.384 -13.659 467 HD2 PRO 652 1HD PRO 652 -8.147 15.400 -15.891 468 HD3 PRO 652 2HD PRO 652 -7.345 16.720 -14.961 469 H SER 653 H SER 653 -7.111 12.620 -11.258 470 HA SER 653 HA SER 653 -7.536 10.155 -12.585 471 HB2 SER 653 1HB SER 653 -8.602 9.516 -10.402 472 HB3 SER 653 2HB SER 653 -7.023 10.312 -10.218 473 HG SER 653 HG SER 653 -8.775 11.083 -8.820 474 H GLY 654 H GLY 654 -9.680 12.839 -11.869 475 HA2 GLY 654 1HA GLY 654 -12.106 11.327 -12.499 476 HA3 GLY 654 2HA GLY 654 -11.996 13.017 -12.005 477 H SER 655 H SER 655 -10.618 11.198 -14.784 478 HA SER 655 HA SER 655 -12.325 12.838 -16.587 479 HB2 SER 655 1HB SER 655 -10.402 13.198 -18.128 480 HB3 SER 655 2HB SER 655 -10.198 14.029 -16.575 481 HG SER 655 HG SER 655 -9.172 11.431 -16.955 482 H ASP 656 H ASP 656 -13.572 11.253 -17.445 483 HA ASP 656 HA ASP 656 -12.701 8.510 -17.695 484 HB2 ASP 656 1HB ASP 656 -15.085 9.992 -18.876 485 HB3 ASP 656 2HB ASP 656 -14.854 8.237 -18.942 486 H HIS 657 H HIS 657 -12.313 11.261 -19.739 487 HA HIS 657 HA HIS 657 -10.994 9.598 -21.747 488 HB2 HIS 657 1HB HIS 657 -12.254 10.439 -23.644 489 HB3 HIS 657 2HB HIS 657 -13.346 9.596 -22.540 490 HD1 HIS 657 HD1 HIS 657 -12.615 13.026 -23.919 491 HD2 HIS 657 HD2 HIS 657 -15.238 11.198 -21.258 492 HE1 HIS 657 HE1 HIS 657 -14.445 14.700 -23.434 493 H VAL 658 H VAL 658 -9.847 11.027 -23.315 494 HA VAL 658 HA VAL 658 -9.423 13.780 -22.217 495 HB VAL 658 HB VAL 658 -7.418 12.765 -21.486 496 HG11 VAL 658 1HG1 VAL 658 -6.101 11.123 -22.797 497 HG12 VAL 658 2HG1 VAL 658 -7.733 10.538 -22.434 498 HG13 VAL 658 3HG1 VAL 658 -7.353 11.147 -24.056 499 HG21 VAL 658 1HG2 VAL 658 -7.012 14.726 -23.063 500 HG22 VAL 658 2HG2 VAL 658 -5.639 13.626 -22.857 501 HG23 VAL 658 3HG2 VAL 658 -6.627 13.539 -24.331 502 H MET 659 H MET 659 -9.553 15.327 -23.717 503 HA MET 659 HA MET 659 -9.807 14.433 -26.548 504 HB2 MET 659 1HB MET 659 -11.744 15.658 -25.604 505 HB3 MET 659 2HB MET 659 -10.688 17.034 -25.246 506 HG2 MET 659 1HG MET 659 -10.699 17.742 -27.396 507 HG3 MET 659 2HG MET 659 -10.514 16.098 -28.025 508 HE1 MET 659 1HE MET 659 -13.627 16.470 -30.017 509 HE2 MET 659 2HE MET 659 -12.256 17.588 -29.931 510 HE3 MET 659 3HE MET 659 -11.969 15.828 -29.878 511 H LEU 660 H LEU 660 -8.272 14.955 -27.931 512 HA LEU 660 HA LEU 660 -6.183 16.927 -27.060 513 HB2 LEU 660 1HB LEU 660 -6.036 14.612 -29.023 514 HB3 LEU 660 2HB LEU 660 -4.731 15.747 -28.691 515 HG LEU 660 HG LEU 660 -5.896 13.780 -26.689 516 HD11 LEU 660 1HD1 LEU 660 -3.281 13.779 -28.241 517 HD12 LEU 660 2HD1 LEU 660 -4.687 12.732 -28.564 518 HD13 LEU 660 3HD1 LEU 660 -3.799 12.578 -27.038 519 HD21 LEU 660 1HD2 LEU 660 -3.487 15.647 -26.523 520 HD22 LEU 660 2HD2 LEU 660 -3.880 14.376 -25.344 521 HD23 LEU 660 3HD2 LEU 660 -4.977 15.750 -25.553 522 H LYS 661 H LYS 661 -5.453 18.370 -28.680 523 HA LYS 661 HA LYS 661 -6.774 18.433 -31.275 524 HB2 LYS 661 1HB LYS 661 -7.728 20.678 -31.012 525 HB3 LYS 661 2HB LYS 661 -8.510 19.495 -29.972 526 HG2 LYS 661 1HG LYS 661 -7.201 20.351 -28.036 527 HG3 LYS 661 2HG LYS 661 -6.532 21.616 -29.094 528 HD2 LYS 661 1HD LYS 661 -8.811 22.388 -29.597 529 HD3 LYS 661 2HD LYS 661 -9.475 21.103 -28.561 530 HE2 LYS 661 1HE LYS 661 -8.225 22.028 -26.648 531 HE3 LYS 661 2HE LYS 661 -7.645 23.350 -27.685 532 HZ1 LYS 661 1HZ LYS 661 -9.617 24.006 -26.424 533 HZ2 LYS 661 2HZ LYS 661 -10.496 22.770 -27.075 534 HZ3 LYS 661 3HZ LYS 661 -9.963 23.997 -28.038 535 H SER 662 H SER 662 -5.956 20.774 -32.213 536 HA SER 662 HA SER 662 -4.069 21.819 -33.034 537 HB2 SER 662 1HB SER 662 -3.855 22.670 -30.662 538 HB3 SER 662 2HB SER 662 -2.769 21.306 -30.330 539 HG SER 662 HG SER 662 -1.429 22.078 -32.024 540 H LEU 663 H LEU 663 -4.498 19.439 -33.896 541 HA LEU 663 HA LEU 663 -1.856 18.117 -34.117 542 HB2 LEU 663 1HB LEU 663 -3.090 15.913 -34.042 543 HB3 LEU 663 2HB LEU 663 -2.976 16.757 -32.510 544 HG LEU 663 HG LEU 663 -5.396 17.584 -32.981 545 HD11 LEU 663 1HD1 LEU 663 -5.789 16.917 -35.227 546 HD12 LEU 663 2HD1 LEU 663 -6.736 15.823 -34.205 547 HD13 LEU 663 3HD1 LEU 663 -5.204 15.279 -34.918 548 HD21 LEU 663 1HD2 LEU 663 -4.799 14.671 -32.369 549 HD22 LEU 663 2HD2 LEU 663 -6.253 15.577 -31.890 550 HD23 LEU 663 3HD2 LEU 663 -4.673 16.023 -31.219 551 H ASP 664 H ASP 664 -1.843 16.805 -36.169 552 HA ASP 664 HA ASP 664 -3.042 18.339 -38.299 553 HB2 ASP 664 1HB ASP 664 -1.593 15.663 -38.256 554 HB3 ASP 664 2HB ASP 664 -2.189 16.434 -39.733 555 H TRP 665 H TRP 665 -4.828 17.896 -39.537 556 HA TRP 665 HA TRP 665 -6.423 15.493 -38.728 557 HB2 TRP 665 1HB TRP 665 -8.372 16.875 -39.656 558 HB3 TRP 665 2HB TRP 665 -7.680 17.369 -38.106 559 HD1 TRP 665 HD1 TRP 665 -6.207 19.639 -38.073 560 HE1 TRP 665 HE1 TRP 665 -6.144 21.690 -39.553 561 HE3 TRP 665 HE3 TRP 665 -8.663 17.659 -42.101 562 HZ2 TRP 665 HZ2 TRP 665 -6.997 22.393 -42.189 563 HZ3 TRP 665 HZ3 TRP 665 -9.008 19.108 -44.119 564 HH2 TRP 665 HH2 TRP 665 -8.167 21.450 -44.150 565 H ASN 666 H ASN 666 -5.067 17.387 -41.347 566 HA ASN 666 HA ASN 666 -6.234 15.602 -43.406 567 HB2 ASN 666 1HB ASN 666 -5.221 17.190 -44.974 568 HB3 ASN 666 2HB ASN 666 -6.169 18.067 -43.768 569 HD21 ASN 666 1HD2 ASN 666 -2.390 19.049 -44.340 570 HD22 ASN 666 2HD2 ASN 666 -3.380 18.120 -45.442 571 H ALA 667 H ALA 667 -3.870 15.240 -41.265 572 HA ALA 667 HA ALA 667 -2.264 13.529 -43.033 573 HB1 ALA 667 1HB ALA 667 -1.058 15.707 -43.171 574 HB2 ALA 667 2HB ALA 667 -1.000 15.788 -41.397 575 HB3 ALA 667 3HB ALA 667 -0.124 14.506 -42.254 576 H GLU 668 H GLU 668 -0.841 12.178 -41.624 577 HA GLU 668 HA GLU 668 -2.431 11.374 -39.306 578 HB2 GLU 668 1HB GLU 668 -0.433 9.594 -39.294 579 HB3 GLU 668 2HB GLU 668 -1.883 9.439 -40.276 580 HG2 GLU 668 1HG GLU 668 0.690 10.672 -41.324 581 HG3 GLU 668 2HG GLU 668 0.320 8.945 -41.429 582 H TYR 669 H TYR 669 -1.835 10.972 -37.271 583 HA TYR 669 HA TYR 669 0.715 12.144 -36.312 584 HB2 TYR 669 1HB TYR 669 -0.489 13.337 -34.517 585 HB3 TYR 669 2HB TYR 669 -0.952 13.944 -36.111 586 HD1 TYR 669 HD1 TYR 669 -3.181 13.454 -37.054 587 HD2 TYR 669 HD2 TYR 669 -2.096 12.174 -33.096 588 HE1 TYR 669 HE1 TYR 669 -5.566 13.094 -36.516 589 HE2 TYR 669 HE2 TYR 669 -4.508 11.813 -32.564 590 HH TYR 669 HH TYR 669 -7.065 12.550 -34.948 591 H GLU 670 H GLU 670 1.195 11.411 -34.125 592 HA GLU 670 HA GLU 670 -0.147 8.805 -33.506 593 HB2 GLU 670 1HB GLU 670 2.045 7.976 -32.784 594 HB3 GLU 670 2HB GLU 670 2.064 8.447 -34.487 595 HG2 GLU 670 1HG GLU 670 3.114 10.634 -33.806 596 HG3 GLU 670 2HG GLU 670 3.245 9.993 -32.162 597 H VAL 671 H VAL 671 -0.518 8.340 -31.369 598 HA VAL 671 HA VAL 671 0.033 10.544 -29.404 599 HB VAL 671 HB VAL 671 -2.503 8.866 -29.698 600 HG11 VAL 671 1HG1 VAL 671 -2.086 9.370 -27.349 601 HG12 VAL 671 2HG1 VAL 671 -1.819 11.087 -27.733 602 HG13 VAL 671 3HG1 VAL 671 -3.431 10.361 -27.931 603 HG21 VAL 671 1HG2 VAL 671 -3.632 11.020 -30.246 604 HG22 VAL 671 2HG2 VAL 671 -2.043 11.814 -30.289 605 HG23 VAL 671 3HG2 VAL 671 -2.437 10.536 -31.460 606 H TYR 672 H TYR 672 0.913 9.847 -27.522 607 HA TYR 672 HA TYR 672 0.671 6.938 -26.811 608 HB2 TYR 672 1HB TYR 672 2.950 8.913 -26.482 609 HB3 TYR 672 2HB TYR 672 2.791 7.494 -25.437 610 HD1 TYR 672 HD1 TYR 672 3.525 5.361 -26.137 611 HD2 TYR 672 HD2 TYR 672 3.083 8.519 -29.011 612 HE1 TYR 672 HE1 TYR 672 4.571 3.913 -27.866 613 HE2 TYR 672 HE2 TYR 672 4.169 7.075 -30.757 614 HH TYR 672 HH TYR 672 5.118 5.078 -31.224 615 H VAL 673 H VAL 673 -0.020 6.531 -24.726 616 HA VAL 673 HA VAL 673 -0.382 8.858 -22.913 617 HB VAL 673 HB VAL 673 -2.493 8.804 -24.093 618 HG11 VAL 673 1HG1 VAL 673 -3.916 6.692 -24.129 619 HG12 VAL 673 2HG1 VAL 673 -2.502 6.707 -25.200 620 HG13 VAL 673 3HG1 VAL 673 -2.444 5.804 -23.676 621 HG21 VAL 673 1HG2 VAL 673 -4.080 8.410 -22.324 622 HG22 VAL 673 2HG2 VAL 673 -2.963 7.317 -21.483 623 HG23 VAL 673 3HG2 VAL 673 -2.590 9.049 -21.599 624 H VAL 674 H VAL 674 -0.190 8.349 -20.784 625 HA VAL 674 HA VAL 674 -0.054 5.464 -20.033 626 HB VAL 674 HB VAL 674 1.913 5.932 -18.555 627 HG11 VAL 674 1HG1 VAL 674 3.649 6.128 -20.372 628 HG12 VAL 674 2HG1 VAL 674 2.412 4.892 -20.628 629 HG13 VAL 674 3HG1 VAL 674 2.321 6.425 -21.528 630 HG21 VAL 674 1HG2 VAL 674 3.268 7.959 -18.878 631 HG22 VAL 674 2HG2 VAL 674 2.065 8.601 -20.018 632 HG23 VAL 674 3HG2 VAL 674 1.641 8.367 -18.306 633 H ALA 675 H ALA 675 -0.314 5.152 -17.725 634 HA ALA 675 HA ALA 675 -1.965 7.304 -16.458 635 HB1 ALA 675 1HB ALA 675 -3.180 5.652 -15.450 636 HB2 ALA 675 2HB ALA 675 -2.716 4.776 -16.919 637 HB3 ALA 675 3HB ALA 675 -1.827 4.505 -15.406 638 H GLU 676 H GLU 676 -1.438 7.913 -14.325 639 HA GLU 676 HA GLU 676 1.144 6.839 -13.236 640 HB2 GLU 676 1HB GLU 676 1.313 9.134 -14.331 641 HB3 GLU 676 2HB GLU 676 0.154 9.721 -13.139 642 HG2 GLU 676 1HG GLU 676 1.737 9.092 -11.339 643 HG3 GLU 676 2HG GLU 676 2.886 8.567 -12.585 644 H ASN 677 H ASN 677 0.492 5.694 -11.440 645 HA ASN 677 HA ASN 677 -1.861 6.795 -9.990 646 HB2 ASN 677 1HB ASN 677 -2.511 4.716 -9.321 647 HB3 ASN 677 2HB ASN 677 -1.829 4.350 -10.901 648 HD21 ASN 677 1HD2 ASN 677 -0.670 1.996 -8.196 649 HD22 ASN 677 2HD2 ASN 677 -2.250 2.607 -8.648 650 H GLN 678 H GLN 678 -1.512 5.836 -7.462 651 HA GLN 678 HA GLN 678 0.409 7.807 -6.605 652 HB2 GLN 678 1HB GLN 678 -1.876 7.347 -5.720 653 HB3 GLN 678 2HB GLN 678 -1.209 5.913 -4.893 654 HG2 GLN 678 1HG GLN 678 0.026 7.220 -3.392 655 HG3 GLN 678 2HG GLN 678 0.083 8.602 -4.503 656 HE21 GLN 678 1HE2 GLN 678 -3.110 8.120 -2.003 657 HE22 GLN 678 2HE2 GLN 678 -1.977 6.815 -2.256 658 H GLN 679 H GLN 679 1.054 4.754 -7.623 659 HA GLN 679 HA GLN 679 3.348 4.474 -5.718 660 HB2 GLN 679 1HB GLN 679 1.529 2.447 -6.976 661 HB3 GLN 679 2HB GLN 679 3.196 2.005 -6.603 662 HG2 GLN 679 1HG GLN 679 1.833 1.322 -4.796 663 HG3 GLN 679 2HG GLN 679 2.782 2.711 -4.260 664 HE21 GLN 679 1HE2 GLN 679 -0.058 4.198 -3.031 665 HE22 GLN 679 2HE2 GLN 679 1.615 3.741 -2.869 666 H GLY 680 H GLY 680 2.272 4.224 -9.114 667 HA2 GLY 680 1HA GLY 680 4.899 4.881 -10.084 668 HA3 GLY 680 2HA GLY 680 4.558 3.154 -10.260 669 H LYS 681 H LYS 681 4.446 3.131 -12.527 670 HA LYS 681 HA LYS 681 2.146 4.696 -13.657 671 HB2 LYS 681 1HB LYS 681 4.936 4.431 -14.795 672 HB3 LYS 681 2HB LYS 681 3.541 5.004 -15.714 673 HG2 LYS 681 1HG LYS 681 3.418 6.537 -13.423 674 HG3 LYS 681 2HG LYS 681 5.160 6.387 -13.702 675 HD2 LYS 681 1HD LYS 681 3.878 6.902 -16.223 676 HD3 LYS 681 2HD LYS 681 3.254 8.057 -15.037 677 HE2 LYS 681 1HE LYS 681 6.182 7.452 -15.422 678 HE3 LYS 681 2HE LYS 681 5.310 8.741 -16.278 679 HZ1 LYS 681 1HZ LYS 681 4.761 9.715 -14.092 680 HZ2 LYS 681 2HZ LYS 681 6.396 9.612 -14.299 681 HZ3 LYS 681 3HZ LYS 681 5.614 8.530 -13.331 682 H SER 682 H SER 682 1.528 4.093 -15.843 683 HA SER 682 HA SER 682 1.231 1.132 -15.900 684 HB2 SER 682 1HB SER 682 -0.686 1.480 -17.207 685 HB3 SER 682 2HB SER 682 -0.707 2.844 -16.092 686 HG SER 682 HG SER 682 0.077 2.807 -18.823 687 H LYS 683 H LYS 683 1.151 0.099 -18.100 688 HA LYS 683 HA LYS 683 3.554 0.730 -19.635 689 HB2 LYS 683 1HB LYS 683 2.280 -1.569 -19.423 690 HB3 LYS 683 2HB LYS 683 1.212 -0.887 -20.642 691 HG2 LYS 683 1HG LYS 683 3.386 -0.475 -22.020 692 HG3 LYS 683 2HG LYS 683 4.142 -1.598 -20.880 693 HD2 LYS 683 1HD LYS 683 3.484 -2.927 -22.727 694 HD3 LYS 683 2HD LYS 683 2.240 -3.233 -21.495 695 HE2 LYS 683 1HE LYS 683 0.751 -1.589 -22.582 696 HE3 LYS 683 2HE LYS 683 2.011 -1.209 -23.766 697 HZ1 LYS 683 1HZ LYS 683 0.667 -3.832 -23.497 698 HZ2 LYS 683 2HZ LYS 683 1.846 -3.470 -24.593 699 HZ3 LYS 683 3HZ LYS 683 0.383 -2.715 -24.678 700 H ALA 684 H ALA 684 3.569 1.764 -21.718 701 HA ALA 684 HA ALA 684 1.517 3.761 -22.117 702 HB1 ALA 684 1HB ALA 684 3.773 2.859 -23.975 703 HB2 ALA 684 2HB ALA 684 2.850 4.377 -24.090 704 HB3 ALA 684 3HB ALA 684 3.932 4.101 -22.705 705 H ALA 685 H ALA 685 0.130 4.017 -23.860 706 HA ALA 685 HA ALA 685 -0.277 1.650 -25.644 707 HB1 ALA 685 1HB ALA 685 -2.486 3.420 -24.485 708 HB2 ALA 685 2HB ALA 685 -2.697 2.024 -25.561 709 HB3 ALA 685 3HB ALA 685 -2.126 1.781 -23.895 710 H HIS 686 H HIS 686 -0.733 2.372 -27.804 711 HA HIS 686 HA HIS 686 -0.666 5.280 -28.255 712 HB2 HIS 686 1HB HIS 686 1.120 4.933 -29.984 713 HB3 HIS 686 2HB HIS 686 1.625 4.734 -28.309 714 HD1 HIS 686 HD1 HIS 686 0.980 2.663 -31.420 715 HD2 HIS 686 HD2 HIS 686 2.562 2.259 -27.598 716 HE1 HIS 686 HE1 HIS 686 2.087 0.396 -31.330 717 H PHE 687 H PHE 687 -1.454 5.998 -30.236 718 HA PHE 687 HA PHE 687 -2.294 3.970 -32.186 719 HB2 PHE 687 1HB PHE 687 -4.561 4.290 -32.140 720 HB3 PHE 687 2HB PHE 687 -4.167 4.348 -30.422 721 HD1 PHE 687 HD1 PHE 687 -3.824 6.757 -29.382 722 HD2 PHE 687 HD2 PHE 687 -5.805 5.995 -33.128 723 HE1 PHE 687 HE1 PHE 687 -5.014 8.950 -29.205 724 HE2 PHE 687 HE2 PHE 687 -6.979 8.168 -32.960 725 HZ PHE 687 HZ PHE 687 -6.606 9.661 -31.004 726 H VAL 688 H VAL 688 -2.983 4.888 -34.221 727 HA VAL 688 HA VAL 688 -1.888 7.628 -34.702 728 HB VAL 688 HB VAL 688 -1.637 5.128 -36.465 729 HG11 VAL 688 1HG1 VAL 688 -1.869 7.168 -37.838 730 HG12 VAL 688 2HG1 VAL 688 -0.561 7.950 -36.920 731 HG13 VAL 688 3HG1 VAL 688 -0.217 6.535 -37.937 732 HG21 VAL 688 1HG2 VAL 688 -0.079 5.008 -34.580 733 HG22 VAL 688 2HG2 VAL 688 0.820 5.370 -36.065 734 HG23 VAL 688 3HG2 VAL 688 0.478 6.667 -34.897 735 H PHE 689 H PHE 689 -3.213 8.906 -36.028 736 HA PHE 689 HA PHE 689 -5.504 7.624 -37.403 737 HB2 PHE 689 1HB PHE 689 -6.275 7.978 -35.077 738 HB3 PHE 689 2HB PHE 689 -5.824 9.682 -35.181 739 HD1 PHE 689 HD1 PHE 689 -7.222 11.285 -36.370 740 HD2 PHE 689 HD2 PHE 689 -8.228 7.104 -36.338 741 HE1 PHE 689 HE1 PHE 689 -9.472 11.835 -37.268 742 HE2 PHE 689 HE2 PHE 689 -10.486 7.643 -37.248 743 HZ PHE 689 HZ PHE 689 -11.104 10.012 -37.733 744 H ARG 690 H ARG 690 -6.570 9.012 -38.894 745 HA ARG 690 HA ARG 690 -5.983 11.842 -39.014 746 HB2 ARG 690 1HB ARG 690 -5.197 11.871 -41.351 747 HB3 ARG 690 2HB ARG 690 -4.061 11.243 -40.211 748 HG2 ARG 690 1HG ARG 690 -3.709 9.832 -41.920 749 HG3 ARG 690 2HG ARG 690 -4.807 8.878 -40.955 750 HD2 ARG 690 1HD ARG 690 -5.198 8.912 -43.482 751 HD3 ARG 690 2HD ARG 690 -6.612 9.265 -42.479 752 HE ARG 690 HE ARG 690 -6.755 11.342 -43.444 753 HH11 ARG 690 1HH1 ARG 690 -3.378 10.288 -43.942 754 HH12 ARG 690 2HH1 ARG 690 -3.045 11.674 -44.944 755 HH21 ARG 690 1HH2 ARG 690 -6.240 13.002 -44.727 756 HH22 ARG 690 2HH2 ARG 690 -4.618 13.198 -45.356 757 H THR 691 H THR 691 -7.327 12.838 -40.749 758 HA THR 691 HA THR 691 -9.621 11.111 -41.560 759 HB THR 691 HB THR 691 -10.262 12.226 -39.422 760 HG1 THR 691 HG1 THR 691 -12.167 13.044 -40.193 761 HG21 THR 691 1HG2 THR 691 -10.523 14.687 -39.334 762 HG22 THR 691 2HG2 THR 691 -9.689 14.827 -40.898 763 HG23 THR 691 3HG2 THR 691 -8.821 14.199 -39.480 764 H HIS 692 H HIS 692 -11.005 13.319 -42.772 765 HA HIS 692 HA HIS 692 -11.036 14.402 -44.806 766 HB2 HIS 692 1HB HIS 692 -9.720 15.940 -43.242 767 HB3 HIS 692 2HB HIS 692 -8.273 15.403 -44.095 768 HD1 HIS 692 HD1 HIS 692 -11.474 17.373 -44.655 769 HD2 HIS 692 HD2 HIS 692 -7.907 16.497 -46.603 770 HE1 HIS 692 HE1 HIS 692 -11.341 18.912 -46.654 771 H HIS 693 H HIS 693 -10.668 11.945 -45.451 772 HA HIS 693 HA HIS 693 -8.189 11.343 -46.792 773 HB2 HIS 693 1HB HIS 693 -9.247 9.384 -47.560 774 HB3 HIS 693 2HB HIS 693 -9.976 9.667 -45.975 775 HD1 HIS 693 HD1 HIS 693 -12.543 10.408 -45.995 776 HD2 HIS 693 HD2 HIS 693 -10.922 9.593 -49.740 777 HE1 HIS 693 HE1 HIS 693 -14.480 10.259 -47.612 778 H HIS 694 H HIS 694 -7.988 11.085 -49.154 779 HA HIS 694 HA HIS 694 -9.649 13.069 -50.656 780 HB2 HIS 694 1HB HIS 694 -7.255 13.696 -50.466 781 HB3 HIS 694 2HB HIS 694 -6.794 12.126 -51.140 782 HD1 HIS 694 HD1 HIS 694 -8.927 15.132 -52.248 783 HD2 HIS 694 HD2 HIS 694 -6.431 12.190 -53.799 784 HE1 HIS 694 HE1 HIS 694 -8.727 15.579 -54.726 785 H HIS 695 H HIS 695 -10.458 12.384 -52.653 786 HA HIS 695 HA HIS 695 -9.934 9.584 -53.491 787 HB2 HIS 695 1HB HIS 695 -12.394 9.316 -53.895 788 HB3 HIS 695 2HB HIS 695 -11.972 9.399 -52.180 789 HD1 HIS 695 HD1 HIS 695 -13.176 11.143 -50.801 790 HD2 HIS 695 HD2 HIS 695 -13.517 11.823 -54.892 791 HE1 HIS 695 HE1 HIS 695 -14.782 13.070 -51.084 792 H HIS 696 H HIS 696 -10.586 9.337 -55.794 793 HA HIS 696 HA HIS 696 -9.859 11.738 -57.255 794 HB2 HIS 696 1HB HIS 696 -9.334 9.248 -57.804 795 HB3 HIS 696 2HB HIS 696 -10.963 9.211 -58.493 796 HD1 HIS 696 HD1 HIS 696 -7.589 10.919 -58.958 797 HD2 HIS 696 HD2 HIS 696 -11.193 10.401 -60.971 798 HE1 HIS 696 HE1 HIS 696 -7.246 11.810 -61.294 799 H HIS 697 H HIS 697 -11.161 12.972 -58.583 800 HA HIS 697 HA HIS 697 -13.985 13.104 -57.912 801 HB2 HIS 697 1HB HIS 697 -13.993 14.961 -59.576 802 HB3 HIS 697 2HB HIS 697 -12.751 15.153 -58.332 803 HD1 HIS 697 HD1 HIS 697 -12.201 12.862 -61.320 804 HD2 HIS 697 HD2 HIS 697 -11.030 16.638 -59.978 805 HE1 HIS 697 HE1 HIS 697 -10.318 13.605 -62.836 Start of MODEL 9 1 H1 MET 595 1H MET 595 1.648 1.449 0.629 2 H2 MET 595 2H MET 595 1.084 -0.061 0.287 3 H3 MET 595 3H MET 595 2.621 0.139 0.855 4 HA MET 595 HA MET 595 1.606 1.133 -1.716 5 HB2 MET 595 1HB MET 595 3.913 1.730 -2.219 6 HB3 MET 595 2HB MET 595 3.325 2.574 -0.789 7 HG2 MET 595 1HG MET 595 4.567 0.943 0.644 8 HG3 MET 595 2HG MET 595 5.239 0.220 -0.835 9 HE1 MET 595 1HE MET 595 7.773 0.643 -0.261 10 HE2 MET 595 2HE MET 595 8.386 2.186 0.374 11 HE3 MET 595 3HE MET 595 7.257 1.213 1.346 12 H GLN 596 H GLN 596 3.619 -1.416 -0.086 13 HA GLN 596 HA GLN 596 4.488 -2.715 -2.358 14 HB2 GLN 596 1HB GLN 596 5.105 -3.098 0.033 15 HB3 GLN 596 2HB GLN 596 3.629 -4.052 0.217 16 HG2 GLN 596 1HG GLN 596 4.436 -5.649 -1.474 17 HG3 GLN 596 2HG GLN 596 5.893 -4.671 -1.715 18 HE21 GLN 596 1HE2 GLN 596 7.083 -7.218 0.533 19 HE22 GLN 596 2HE2 GLN 596 6.738 -6.946 -1.158 20 HA PRO 597 HA PRO 597 0.931 -5.645 -2.743 21 HB2 PRO 597 1HB PRO 597 -1.587 -5.181 -1.886 22 HB3 PRO 597 2HB PRO 597 -0.326 -5.801 -0.771 23 HG2 PRO 597 1HG PRO 597 -1.240 -2.969 -1.195 24 HG3 PRO 597 2HG PRO 597 -1.124 -3.896 0.336 25 HD2 PRO 597 1HD PRO 597 0.843 -2.219 -0.480 26 HD3 PRO 597 2HD PRO 597 1.212 -3.752 0.383 27 H VAL 598 H VAL 598 0.943 -2.379 -3.527 28 HA VAL 598 HA VAL 598 -1.400 -2.473 -5.301 29 HB VAL 598 HB VAL 598 0.703 -0.315 -4.877 30 HG11 VAL 598 1HG1 VAL 598 -0.236 -0.003 -7.051 31 HG12 VAL 598 2HG1 VAL 598 -1.878 -0.330 -6.464 32 HG13 VAL 598 3HG1 VAL 598 -1.042 1.150 -5.982 33 HG21 VAL 598 1HG2 VAL 598 -2.118 -0.591 -3.761 34 HG22 VAL 598 2HG2 VAL 598 -0.601 -0.668 -2.840 35 HG23 VAL 598 3HG2 VAL 598 -1.096 0.854 -3.602 36 H ARG 599 H ARG 599 -1.217 -3.511 -7.178 37 HA ARG 599 HA ARG 599 1.338 -3.724 -8.583 38 HB2 ARG 599 1HB ARG 599 0.066 -4.812 -10.351 39 HB3 ARG 599 2HB ARG 599 -0.382 -5.506 -8.791 40 HG2 ARG 599 1HG ARG 599 -2.501 -4.365 -8.792 41 HG3 ARG 599 2HG ARG 599 -2.033 -3.359 -10.177 42 HD2 ARG 599 1HD ARG 599 -1.922 -5.328 -11.620 43 HD3 ARG 599 2HD ARG 599 -2.350 -6.378 -10.260 44 HE ARG 599 HE ARG 599 -4.135 -4.434 -11.654 45 HH11 ARG 599 1HH1 ARG 599 -3.837 -7.018 -9.247 46 HH12 ARG 599 2HH1 ARG 599 -5.564 -7.210 -9.122 47 HH21 ARG 599 1HH2 ARG 599 -6.292 -4.726 -11.423 48 HH22 ARG 599 2HH2 ARG 599 -6.931 -5.953 -10.348 49 H GLU 600 H GLU 600 1.678 -2.827 -10.748 50 HA GLU 600 HA GLU 600 1.035 -0.034 -10.869 51 HB2 GLU 600 1HB GLU 600 2.212 -1.985 -12.885 52 HB3 GLU 600 2HB GLU 600 1.999 -0.262 -13.206 53 HG2 GLU 600 1HG GLU 600 3.383 0.213 -11.163 54 HG3 GLU 600 2HG GLU 600 3.759 -1.515 -11.093 55 HA PRO 601 HA PRO 601 -2.858 -0.268 -12.872 56 HB2 PRO 601 1HB PRO 601 -2.864 1.941 -14.517 57 HB3 PRO 601 2HB PRO 601 -3.038 2.016 -12.744 58 HG2 PRO 601 1HG PRO 601 -0.604 2.429 -14.411 59 HG3 PRO 601 2HG PRO 601 -1.216 3.410 -13.057 60 HD2 PRO 601 1HD PRO 601 0.779 1.620 -12.784 61 HD3 PRO 601 2HD PRO 601 -0.421 1.914 -11.483 62 H SER 602 H SER 602 -3.985 -0.688 -14.765 63 HA SER 602 HA SER 602 -2.490 -2.147 -16.780 64 HB2 SER 602 1HB SER 602 -4.756 -2.825 -15.894 65 HB3 SER 602 2HB SER 602 -5.446 -1.412 -16.723 66 HG SER 602 HG SER 602 -5.606 -3.243 -18.034 67 H ALA 603 H ALA 603 -2.604 -1.666 -19.069 68 HA ALA 603 HA ALA 603 -1.948 0.984 -19.735 69 HB1 ALA 603 1HB ALA 603 -3.144 -1.130 -21.592 70 HB2 ALA 603 2HB ALA 603 -2.132 0.255 -22.065 71 HB3 ALA 603 3HB ALA 603 -1.432 -1.069 -21.113 72 HA PRO 604 HA PRO 604 -5.883 2.925 -19.827 73 HB2 PRO 604 1HB PRO 604 -5.555 4.883 -21.730 74 HB3 PRO 604 2HB PRO 604 -4.815 4.968 -20.099 75 HG2 PRO 604 1HG PRO 604 -3.621 4.016 -22.662 76 HG3 PRO 604 2HG PRO 604 -2.968 5.177 -21.474 77 HD2 PRO 604 1HD PRO 604 -2.166 2.639 -21.506 78 HD3 PRO 604 2HD PRO 604 -2.429 3.505 -19.951 79 H LYS 605 H LYS 605 -7.820 3.045 -20.980 80 HA LYS 605 HA LYS 605 -7.989 1.002 -23.083 81 HB2 LYS 605 1HB LYS 605 -10.143 2.755 -21.809 82 HB3 LYS 605 2HB LYS 605 -10.423 1.372 -22.875 83 HG2 LYS 605 1HG LYS 605 -10.657 0.232 -20.915 84 HG3 LYS 605 2HG LYS 605 -8.890 0.160 -20.983 85 HD2 LYS 605 1HD LYS 605 -9.519 2.649 -19.743 86 HD3 LYS 605 2HD LYS 605 -10.627 1.474 -19.026 87 HE2 LYS 605 1HE LYS 605 -7.603 1.061 -19.207 88 HE3 LYS 605 2HE LYS 605 -8.410 1.795 -17.817 89 HZ1 LYS 605 1HZ LYS 605 -8.616 -0.983 -18.734 90 HZ2 LYS 605 2HZ LYS 605 -9.714 -0.331 -17.689 91 HZ3 LYS 605 3HZ LYS 605 -8.125 -0.410 -17.257 92 H LEU 606 H LEU 606 -8.451 1.409 -25.251 93 HA LEU 606 HA LEU 606 -8.649 4.268 -26.046 94 HB2 LEU 606 1HB LEU 606 -6.268 3.579 -26.068 95 HB3 LEU 606 2HB LEU 606 -6.655 2.242 -27.131 96 HG LEU 606 HG LEU 606 -5.510 4.287 -28.123 97 HD11 LEU 606 1HD1 LEU 606 -6.684 4.162 -30.260 98 HD12 LEU 606 2HD1 LEU 606 -8.069 3.379 -29.488 99 HD13 LEU 606 3HD1 LEU 606 -6.505 2.548 -29.545 100 HD21 LEU 606 1HD2 LEU 606 -8.307 5.451 -27.993 101 HD22 LEU 606 2HD2 LEU 606 -6.905 6.153 -28.810 102 HD23 LEU 606 3HD2 LEU 606 -6.906 5.984 -27.046 103 H GLU 607 H GLU 607 -10.357 4.478 -27.303 104 HA GLU 607 HA GLU 607 -11.093 2.159 -29.042 105 HB2 GLU 607 1HB GLU 607 -12.982 4.344 -28.171 106 HB3 GLU 607 2HB GLU 607 -13.366 2.765 -28.861 107 HG2 GLU 607 1HG GLU 607 -12.296 3.366 -26.076 108 HG3 GLU 607 2HG GLU 607 -13.903 2.765 -26.487 109 H GLY 608 H GLY 608 -9.980 5.412 -29.015 110 HA2 GLY 608 1HA GLY 608 -9.337 6.749 -30.792 111 HA3 GLY 608 2HA GLY 608 -9.714 5.395 -31.861 112 H GLN 609 H GLN 609 -11.630 7.673 -29.795 113 HA GLN 609 HA GLN 609 -13.838 7.503 -31.659 114 HB2 GLN 609 1HB GLN 609 -13.415 9.520 -29.451 115 HB3 GLN 609 2HB GLN 609 -14.944 9.038 -30.170 116 HG2 GLN 609 1HG GLN 609 -15.077 7.787 -28.280 117 HG3 GLN 609 2HG GLN 609 -14.102 6.631 -29.211 118 HE21 GLN 609 1HE2 GLN 609 -12.709 8.589 -25.929 119 HE22 GLN 609 2HE2 GLN 609 -14.259 8.926 -26.665 120 H MET 610 H MET 610 -13.758 8.453 -33.584 121 HA MET 610 HA MET 610 -11.789 10.202 -34.444 122 HB2 MET 610 1HB MET 610 -14.609 9.986 -35.541 123 HB3 MET 610 2HB MET 610 -13.192 10.603 -36.399 124 HG2 MET 610 1HG MET 610 -12.130 8.326 -36.061 125 HG3 MET 610 2HG MET 610 -13.708 7.757 -35.494 126 HE1 MET 610 1HE MET 610 -15.968 7.985 -38.678 127 HE2 MET 610 2HE MET 610 -15.830 7.422 -36.996 128 HE3 MET 610 3HE MET 610 -15.888 9.167 -37.352 129 H GLY 611 H GLY 611 -11.437 12.308 -34.663 130 HA2 GLY 611 1HA GLY 611 -13.170 14.113 -33.120 131 HA3 GLY 611 2HA GLY 611 -11.571 14.469 -33.768 132 H GLU 612 H GLU 612 -14.963 13.983 -34.644 133 HA GLU 612 HA GLU 612 -14.787 15.042 -37.318 134 HB2 GLU 612 1HB GLU 612 -16.630 13.652 -36.222 135 HB3 GLU 612 2HB GLU 612 -17.173 15.135 -35.435 136 HG2 GLU 612 1HG GLU 612 -17.664 16.150 -37.583 137 HG3 GLU 612 2HG GLU 612 -16.926 14.783 -38.440 138 H ASP 613 H ASP 613 -14.602 16.343 -34.198 139 HA ASP 613 HA ASP 613 -15.484 19.014 -34.410 140 HB2 ASP 613 1HB ASP 613 -12.984 18.076 -32.989 141 HB3 ASP 613 2HB ASP 613 -14.054 19.366 -32.484 142 H GLY 614 H GLY 614 -12.773 17.409 -35.865 143 HA2 GLY 614 1HA GLY 614 -11.297 18.236 -37.440 144 HA3 GLY 614 2HA GLY 614 -11.939 19.865 -37.199 145 H ASN 615 H ASN 615 -9.156 18.671 -37.380 146 HA ASN 615 HA ASN 615 -7.086 19.030 -36.495 147 HB2 ASN 615 1HB ASN 615 -8.371 21.392 -36.565 148 HB3 ASN 615 2HB ASN 615 -8.084 21.315 -34.824 149 HD21 ASN 615 1HD2 ASN 615 -4.518 21.502 -35.216 150 HD22 ASN 615 2HD2 ASN 615 -5.761 20.704 -34.268 151 H SER 616 H SER 616 -9.016 17.282 -34.999 152 HA SER 616 HA SER 616 -7.502 17.027 -32.511 153 HB2 SER 616 1HB SER 616 -9.567 17.288 -31.136 154 HB3 SER 616 2HB SER 616 -9.027 18.773 -31.931 155 HG SER 616 HG SER 616 -10.600 18.495 -33.497 156 H ILE 617 H ILE 617 -8.644 15.381 -31.020 157 HA ILE 617 HA ILE 617 -10.440 13.440 -32.236 158 HB ILE 617 HB ILE 617 -8.208 12.780 -33.188 159 HG12 ILE 617 1HG1 ILE 617 -8.967 10.552 -31.357 160 HG13 ILE 617 2HG1 ILE 617 -10.241 11.254 -32.348 161 HG21 ILE 617 1HG2 ILE 617 -6.494 11.781 -31.764 162 HG22 ILE 617 2HG2 ILE 617 -6.804 13.434 -31.213 163 HG23 ILE 617 3HG2 ILE 617 -7.476 12.060 -30.308 164 HD11 ILE 617 1HD1 ILE 617 -9.162 9.269 -33.347 165 HD12 ILE 617 2HD1 ILE 617 -9.127 10.725 -34.364 166 HD13 ILE 617 3HD1 ILE 617 -7.666 10.222 -33.490 167 H LYS 618 H LYS 618 -11.169 11.840 -30.562 168 HA LYS 618 HA LYS 618 -10.458 12.774 -27.790 169 HB2 LYS 618 1HB LYS 618 -12.936 11.195 -28.493 170 HB3 LYS 618 2HB LYS 618 -12.594 12.086 -27.029 171 HG2 LYS 618 1HG LYS 618 -14.101 13.497 -27.967 172 HG3 LYS 618 2HG LYS 618 -12.633 14.159 -28.696 173 HD2 LYS 618 1HD LYS 618 -13.284 13.561 -30.799 174 HD3 LYS 618 2HD LYS 618 -13.793 11.948 -30.271 175 HE2 LYS 618 1HE LYS 618 -15.715 13.149 -31.146 176 HE3 LYS 618 2HE LYS 618 -15.912 12.901 -29.402 177 HZ1 LYS 618 1HZ LYS 618 -16.537 15.130 -29.966 178 HZ2 LYS 618 2HZ LYS 618 -15.123 15.425 -30.752 179 HZ3 LYS 618 3HZ LYS 618 -15.131 15.227 -29.111 180 H VAL 619 H VAL 619 -9.605 11.213 -26.458 181 HA VAL 619 HA VAL 619 -9.690 8.390 -27.450 182 HB VAL 619 HB VAL 619 -7.441 8.385 -27.798 183 HG11 VAL 619 1HG1 VAL 619 -5.984 10.371 -27.389 184 HG12 VAL 619 2HG1 VAL 619 -7.462 10.781 -28.275 185 HG13 VAL 619 3HG1 VAL 619 -7.322 11.171 -26.544 186 HG21 VAL 619 1HG2 VAL 619 -5.899 8.393 -25.909 187 HG22 VAL 619 2HG2 VAL 619 -7.119 9.158 -24.869 188 HG23 VAL 619 3HG2 VAL 619 -7.380 7.509 -25.484 189 H ASN 620 H ASN 620 -10.224 6.958 -25.823 190 HA ASN 620 HA ASN 620 -11.362 8.128 -23.436 191 HB2 ASN 620 1HB ASN 620 -11.055 5.315 -24.468 192 HB3 ASN 620 2HB ASN 620 -11.591 5.620 -22.811 193 HD21 ASN 620 1HD2 ASN 620 -14.351 5.589 -25.509 194 HD22 ASN 620 2HD2 ASN 620 -12.850 4.700 -25.502 195 H LEU 621 H LEU 621 -10.885 7.538 -21.249 196 HA LEU 621 HA LEU 621 -7.975 6.992 -20.851 197 HB2 LEU 621 1HB LEU 621 -9.070 9.418 -20.579 198 HB3 LEU 621 2HB LEU 621 -9.504 8.776 -19.005 199 HG LEU 621 HG LEU 621 -7.098 8.407 -18.504 200 HD11 LEU 621 1HD1 LEU 621 -5.389 9.472 -19.956 201 HD12 LEU 621 2HD1 LEU 621 -6.637 9.771 -21.187 202 HD13 LEU 621 3HD1 LEU 621 -6.185 8.108 -20.761 203 HD21 LEU 621 1HD2 LEU 621 -6.540 10.863 -18.407 204 HD22 LEU 621 2HD2 LEU 621 -8.141 10.431 -17.785 205 HD23 LEU 621 3HD2 LEU 621 -7.982 11.175 -19.398 206 H ILE 622 H ILE 622 -7.676 6.652 -18.355 207 HA ILE 622 HA ILE 622 -9.368 4.395 -17.542 208 HB ILE 622 HB ILE 622 -6.968 5.819 -16.351 209 HG12 ILE 622 1HG1 ILE 622 -6.884 2.950 -16.988 210 HG13 ILE 622 2HG1 ILE 622 -7.017 4.024 -18.384 211 HG21 ILE 622 1HG2 ILE 622 -8.310 4.980 -14.495 212 HG22 ILE 622 2HG2 ILE 622 -8.374 3.375 -15.263 213 HG23 ILE 622 3HG2 ILE 622 -6.842 4.017 -14.693 214 HD11 ILE 622 1HD1 ILE 622 -4.952 4.176 -16.215 215 HD12 ILE 622 2HD1 ILE 622 -4.725 3.444 -17.815 216 HD13 ILE 622 3HD1 ILE 622 -5.041 5.192 -17.679 217 H LYS 623 H LYS 623 -11.153 4.705 -16.354 218 HA LYS 623 HA LYS 623 -11.315 7.138 -14.653 219 HB2 LYS 623 1HB LYS 623 -13.754 7.201 -15.053 220 HB3 LYS 623 2HB LYS 623 -12.783 7.515 -16.485 221 HG2 LYS 623 1HG LYS 623 -13.678 4.685 -16.111 222 HG3 LYS 623 2HG LYS 623 -14.922 5.883 -16.482 223 HD2 LYS 623 1HD LYS 623 -13.647 6.588 -18.474 224 HD3 LYS 623 2HD LYS 623 -12.405 5.386 -18.084 225 HE2 LYS 623 1HE LYS 623 -13.715 4.244 -19.592 226 HE3 LYS 623 2HE LYS 623 -14.356 3.722 -18.007 227 HZ1 LYS 623 1HZ LYS 623 -15.510 5.987 -19.541 228 HZ2 LYS 623 2HZ LYS 623 -16.171 5.202 -18.257 229 HZ3 LYS 623 3HZ LYS 623 -16.057 4.433 -19.713 230 H GLN 624 H GLN 624 -10.619 4.178 -14.211 231 HA GLN 624 HA GLN 624 -12.102 3.936 -11.678 232 HB2 GLN 624 1HB GLN 624 -12.893 1.707 -12.101 233 HB3 GLN 624 2HB GLN 624 -13.504 2.737 -13.394 234 HG2 GLN 624 1HG GLN 624 -11.082 0.898 -13.649 235 HG3 GLN 624 2HG GLN 624 -12.719 0.477 -14.153 236 HE21 GLN 624 1HE2 GLN 624 -10.313 2.561 -16.592 237 HE22 GLN 624 2HE2 GLN 624 -9.796 1.977 -15.026 238 H ASP 625 H ASP 625 -11.005 2.174 -10.326 239 HA ASP 625 HA ASP 625 -8.141 2.422 -10.669 240 HB2 ASP 625 1HB ASP 625 -9.509 2.196 -8.481 241 HB3 ASP 625 2HB ASP 625 -9.531 0.460 -8.824 242 H ASP 626 H ASP 626 -6.719 1.014 -11.542 243 HA ASP 626 HA ASP 626 -7.803 -1.391 -12.944 244 HB2 ASP 626 1HB ASP 626 -5.235 0.201 -13.149 245 HB3 ASP 626 2HB ASP 626 -5.498 -1.328 -14.005 246 H GLY 627 H GLY 627 -6.294 -0.526 -10.058 247 HA2 GLY 627 1HA GLY 627 -5.174 -3.236 -9.769 248 HA3 GLY 627 2HA GLY 627 -4.035 -1.900 -9.702 249 H GLY 628 H GLY 628 -3.471 -1.337 -7.824 250 HA2 GLY 628 1HA GLY 628 -5.235 -2.083 -5.531 251 HA3 GLY 628 2HA GLY 628 -3.485 -1.941 -5.464 252 H SER 629 H SER 629 -4.396 0.722 -7.175 253 HA SER 629 HA SER 629 -5.370 2.403 -5.027 254 HB2 SER 629 1HB SER 629 -2.972 2.149 -4.345 255 HB3 SER 629 2HB SER 629 -2.480 2.727 -5.948 256 HG SER 629 HG SER 629 -4.032 4.180 -4.062 257 HA PRO 630 HA PRO 630 -6.520 4.065 -8.916 258 HB2 PRO 630 1HB PRO 630 -7.344 6.606 -8.281 259 HB3 PRO 630 2HB PRO 630 -8.287 5.138 -7.866 260 HG2 PRO 630 1HG PRO 630 -6.340 6.665 -6.154 261 HG3 PRO 630 2HG PRO 630 -8.030 6.182 -5.787 262 HD2 PRO 630 1HD PRO 630 -5.979 4.705 -4.911 263 HD3 PRO 630 2HD PRO 630 -7.448 3.903 -5.576 264 H ILE 631 H ILE 631 -5.960 5.527 -10.522 265 HA ILE 631 HA ILE 631 -3.181 6.118 -10.646 266 HB ILE 631 HB ILE 631 -5.532 6.937 -12.416 267 HG12 ILE 631 1HG1 ILE 631 -4.520 5.332 -14.042 268 HG13 ILE 631 2HG1 ILE 631 -3.280 4.911 -12.855 269 HG21 ILE 631 1HG2 ILE 631 -3.850 8.606 -12.768 270 HG22 ILE 631 2HG2 ILE 631 -2.550 7.393 -12.752 271 HG23 ILE 631 3HG2 ILE 631 -3.680 7.461 -14.095 272 HD11 ILE 631 1HD1 ILE 631 -4.855 3.716 -11.528 273 HD12 ILE 631 2HD1 ILE 631 -6.235 4.422 -12.413 274 HD13 ILE 631 3HD1 ILE 631 -5.156 3.266 -13.219 275 H ARG 632 H ARG 632 -2.058 7.988 -10.256 276 HA ARG 632 HA ARG 632 -3.480 10.070 -8.735 277 HB2 ARG 632 1HB ARG 632 -0.595 9.388 -9.331 278 HB3 ARG 632 2HB ARG 632 -1.018 11.033 -8.884 279 HG2 ARG 632 1HG ARG 632 -2.215 9.926 -6.843 280 HG3 ARG 632 2HG ARG 632 -1.138 8.544 -7.180 281 HD2 ARG 632 1HD ARG 632 0.697 9.663 -6.464 282 HD3 ARG 632 2HD ARG 632 0.228 11.168 -7.271 283 HE ARG 632 HE ARG 632 -0.478 10.301 -4.528 284 HH11 ARG 632 1HH1 ARG 632 -0.871 12.783 -7.049 285 HH12 ARG 632 2HH1 ARG 632 -1.509 13.940 -5.912 286 HH21 ARG 632 1HH2 ARG 632 -1.294 11.821 -3.179 287 HH22 ARG 632 2HH2 ARG 632 -1.728 13.411 -3.754 288 H HIS 633 H HIS 633 -1.499 9.827 -11.733 289 HA HIS 633 HA HIS 633 -2.850 12.305 -12.716 290 HB2 HIS 633 1HB HIS 633 0.099 11.848 -13.192 291 HB3 HIS 633 2HB HIS 633 -0.818 13.353 -13.308 292 HD1 HIS 633 HD1 HIS 633 1.722 11.985 -11.323 293 HD2 HIS 633 HD2 HIS 633 -1.862 13.880 -10.393 294 HE1 HIS 633 HE1 HIS 633 1.947 12.824 -8.959 295 H TYR 634 H TYR 634 -2.773 12.528 -15.050 296 HA TYR 634 HA TYR 634 -2.032 10.009 -16.489 297 HB2 TYR 634 1HB TYR 634 -4.188 12.056 -17.111 298 HB3 TYR 634 2HB TYR 634 -3.669 10.775 -18.225 299 HD1 TYR 634 HD1 TYR 634 -5.946 11.576 -15.592 300 HD2 TYR 634 HD2 TYR 634 -3.662 8.333 -17.262 301 HE1 TYR 634 HE1 TYR 634 -7.370 9.919 -14.402 302 HE2 TYR 634 HE2 TYR 634 -5.101 6.722 -16.046 303 HH TYR 634 HH TYR 634 -7.864 7.776 -14.040 304 H LEU 635 H LEU 635 -0.788 10.168 -18.281 305 HA LEU 635 HA LEU 635 0.286 12.888 -18.896 306 HB2 LEU 635 1HB LEU 635 1.850 10.314 -18.695 307 HB3 LEU 635 2HB LEU 635 2.520 11.891 -19.050 308 HG LEU 635 HG LEU 635 1.182 11.208 -16.404 309 HD11 LEU 635 1HD1 LEU 635 3.051 9.652 -16.776 310 HD12 LEU 635 2HD1 LEU 635 3.403 10.799 -15.472 311 HD13 LEU 635 3HD1 LEU 635 4.141 11.030 -17.079 312 HD21 LEU 635 1HD2 LEU 635 3.135 13.399 -17.205 313 HD22 LEU 635 2HD2 LEU 635 2.512 13.107 -15.563 314 HD23 LEU 635 3HD2 LEU 635 1.401 13.605 -16.856 315 H VAL 636 H VAL 636 -0.633 13.221 -20.878 316 HA VAL 636 HA VAL 636 -0.439 11.019 -22.896 317 HB VAL 636 HB VAL 636 -1.896 13.649 -23.276 318 HG11 VAL 636 1HG1 VAL 636 -2.112 10.913 -24.573 319 HG12 VAL 636 2HG1 VAL 636 -3.270 12.229 -24.847 320 HG13 VAL 636 3HG1 VAL 636 -1.574 12.432 -25.324 321 HG21 VAL 636 1HG2 VAL 636 -3.010 11.112 -22.016 322 HG22 VAL 636 2HG2 VAL 636 -2.892 12.716 -21.257 323 HG23 VAL 636 3HG2 VAL 636 -4.003 12.457 -22.610 324 H ARG 637 H ARG 637 0.763 11.303 -24.782 325 HA ARG 637 HA ARG 637 2.201 13.908 -25.148 326 HB2 ARG 637 1HB ARG 637 3.564 12.298 -23.762 327 HB3 ARG 637 2HB ARG 637 3.471 11.131 -25.082 328 HG2 ARG 637 1HG ARG 637 4.679 12.706 -26.532 329 HG3 ARG 637 2HG ARG 637 4.808 13.842 -25.186 330 HD2 ARG 637 1HD ARG 637 5.915 11.019 -25.210 331 HD3 ARG 637 2HD ARG 637 6.866 12.486 -25.499 332 HE ARG 637 HE ARG 637 5.800 11.519 -22.936 333 HH11 ARG 637 1HH1 ARG 637 7.299 14.245 -24.606 334 HH12 ARG 637 2HH1 ARG 637 7.804 14.993 -23.115 335 HH21 ARG 637 1HH2 ARG 637 6.470 12.539 -21.086 336 HH22 ARG 637 2HH2 ARG 637 7.342 14.042 -21.164 337 H TYR 638 H TYR 638 2.099 14.430 -27.367 338 HA TYR 638 HA TYR 638 1.767 12.223 -29.293 339 HB2 TYR 638 1HB TYR 638 -0.306 13.093 -30.252 340 HB3 TYR 638 2HB TYR 638 -0.520 12.586 -28.577 341 HD1 TYR 638 HD1 TYR 638 -1.249 15.120 -30.930 342 HD2 TYR 638 HD2 TYR 638 -0.318 14.577 -26.757 343 HE1 TYR 638 HE1 TYR 638 -2.355 17.294 -30.382 344 HE2 TYR 638 HE2 TYR 638 -1.382 16.759 -26.246 345 HH TYR 638 HH TYR 638 -2.999 18.734 -28.735 346 H ARG 639 H ARG 639 1.987 12.773 -31.481 347 HA ARG 639 HA ARG 639 3.080 15.487 -32.106 348 HB2 ARG 639 1HB ARG 639 5.030 14.382 -31.378 349 HB3 ARG 639 2HB ARG 639 4.565 12.848 -32.075 350 HG2 ARG 639 1HG ARG 639 5.041 15.027 -34.022 351 HG3 ARG 639 2HG ARG 639 6.449 14.511 -33.091 352 HD2 ARG 639 1HD ARG 639 6.364 12.322 -33.887 353 HD3 ARG 639 2HD ARG 639 4.646 12.433 -34.312 354 HE ARG 639 HE ARG 639 5.944 14.302 -35.928 355 HH11 ARG 639 1HH1 ARG 639 6.005 10.772 -35.530 356 HH12 ARG 639 2HH1 ARG 639 6.476 10.526 -37.198 357 HH21 ARG 639 1HH2 ARG 639 6.517 13.899 -38.009 358 HH22 ARG 639 2HH2 ARG 639 6.758 12.265 -38.577 359 H ALA 640 H ALA 640 3.057 15.902 -34.353 360 HA ALA 640 HA ALA 640 1.652 13.836 -35.998 361 HB1 ALA 640 1HB ALA 640 0.246 15.823 -35.217 362 HB2 ALA 640 2HB ALA 640 1.285 16.811 -36.273 363 HB3 ALA 640 3HB ALA 640 0.311 15.501 -36.962 364 H LEU 641 H LEU 641 1.841 14.628 -38.439 365 HA LEU 641 HA LEU 641 4.546 14.316 -39.139 366 HB2 LEU 641 1HB LEU 641 2.030 14.625 -40.447 367 HB3 LEU 641 2HB LEU 641 3.120 15.794 -41.175 368 HG LEU 641 HG LEU 641 3.021 13.699 -42.435 369 HD11 LEU 641 1HD1 LEU 641 5.421 13.318 -42.692 370 HD12 LEU 641 2HD1 LEU 641 5.742 14.099 -41.127 371 HD13 LEU 641 3HD1 LEU 641 5.092 15.049 -42.479 372 HD21 LEU 641 1HD2 LEU 641 4.333 12.339 -40.052 373 HD22 LEU 641 2HD2 LEU 641 3.851 11.603 -41.596 374 HD23 LEU 641 3HD2 LEU 641 2.613 12.191 -40.468 375 H SER 642 H SER 642 2.597 17.317 -38.940 376 HA SER 642 HA SER 642 5.135 18.878 -39.233 377 HB2 SER 642 1HB SER 642 3.221 19.406 -40.743 378 HB3 SER 642 2HB SER 642 2.257 19.841 -39.315 379 HG SER 642 HG SER 642 4.265 21.248 -38.888 380 H SER 643 H SER 643 2.451 18.245 -36.974 381 HA SER 643 HA SER 643 3.283 20.427 -35.213 382 HB2 SER 643 1HB SER 643 1.309 18.174 -34.722 383 HB3 SER 643 2HB SER 643 1.542 19.598 -33.704 384 HG SER 643 HG SER 643 0.545 19.500 -36.374 385 H GLU 644 H GLU 644 4.615 20.380 -33.528 386 HA GLU 644 HA GLU 644 6.424 18.238 -33.102 387 HB2 GLU 644 1HB GLU 644 5.710 20.615 -31.357 388 HB3 GLU 644 2HB GLU 644 7.137 19.598 -31.138 389 HG2 GLU 644 1HG GLU 644 7.972 20.272 -33.343 390 HG3 GLU 644 2HG GLU 644 6.544 21.306 -33.568 391 H TRP 645 H TRP 645 6.996 17.293 -30.992 392 HA TRP 645 HA TRP 645 4.884 15.745 -29.830 393 HB2 TRP 645 1HB TRP 645 7.763 16.319 -29.064 394 HB3 TRP 645 2HB TRP 645 6.700 15.416 -27.986 395 HD1 TRP 645 HD1 TRP 645 9.001 14.878 -30.853 396 HE1 TRP 645 HE1 TRP 645 8.917 12.480 -31.701 397 HE3 TRP 645 HE3 TRP 645 4.748 13.427 -28.425 398 HZ2 TRP 645 HZ2 TRP 645 7.216 10.206 -31.377 399 HZ3 TRP 645 HZ3 TRP 645 3.921 11.076 -28.735 400 HH2 TRP 645 HH2 TRP 645 5.166 9.490 -30.207 401 H LYS 646 H LYS 646 3.278 16.617 -28.631 402 HA LYS 646 HA LYS 646 3.779 18.968 -26.957 403 HB2 LYS 646 1HB LYS 646 1.437 17.047 -26.748 404 HB3 LYS 646 2HB LYS 646 1.509 18.725 -26.201 405 HG2 LYS 646 1HG LYS 646 1.455 17.708 -29.060 406 HG3 LYS 646 2HG LYS 646 0.185 18.591 -28.216 407 HD2 LYS 646 1HD LYS 646 1.671 20.588 -28.085 408 HD3 LYS 646 2HD LYS 646 2.890 19.707 -29.033 409 HE2 LYS 646 1HE LYS 646 0.064 20.388 -29.926 410 HE3 LYS 646 2HE LYS 646 1.567 21.144 -30.502 411 HZ1 LYS 646 1HZ LYS 646 0.790 19.438 -32.022 412 HZ2 LYS 646 2HZ LYS 646 0.829 18.294 -30.839 413 HZ3 LYS 646 3HZ LYS 646 2.240 18.968 -31.361 414 HA PRO 647 HA PRO 647 5.735 16.404 -24.078 415 HB2 PRO 647 1HB PRO 647 6.038 17.994 -21.895 416 HB3 PRO 647 2HB PRO 647 6.855 18.335 -23.456 417 HG2 PRO 647 1HG PRO 647 4.291 19.503 -22.375 418 HG3 PRO 647 2HG PRO 647 5.718 20.351 -23.051 419 HD2 PRO 647 1HD PRO 647 3.496 19.797 -24.544 420 HD3 PRO 647 2HD PRO 647 5.156 19.795 -25.249 421 H GLU 648 H GLU 648 2.729 17.851 -22.777 422 HA GLU 648 HA GLU 648 2.124 15.383 -21.312 423 HB2 GLU 648 1HB GLU 648 3.595 16.511 -19.699 424 HB3 GLU 648 2HB GLU 648 2.769 18.044 -19.951 425 HG2 GLU 648 1HG GLU 648 0.950 15.931 -18.978 426 HG3 GLU 648 2HG GLU 648 2.296 16.241 -17.888 427 H ILE 649 H ILE 649 -0.118 15.213 -21.106 428 HA ILE 649 HA ILE 649 -1.614 17.762 -20.953 429 HB ILE 649 HB ILE 649 -2.649 15.199 -22.248 430 HG12 ILE 649 1HG1 ILE 649 -1.064 16.425 -23.734 431 HG13 ILE 649 2HG1 ILE 649 -2.698 16.304 -24.363 432 HG21 ILE 649 1HG2 ILE 649 -4.401 16.334 -21.037 433 HG22 ILE 649 2HG2 ILE 649 -3.989 17.891 -21.779 434 HG23 ILE 649 3HG2 ILE 649 -4.672 16.580 -22.772 435 HD11 ILE 649 1HD1 ILE 649 -3.161 18.646 -23.894 436 HD12 ILE 649 2HD1 ILE 649 -1.630 18.822 -23.002 437 HD13 ILE 649 3HD1 ILE 649 -1.612 18.546 -24.754 438 H ARG 650 H ARG 650 -2.022 17.813 -18.938 439 HA ARG 650 HA ARG 650 -1.970 15.669 -17.025 440 HB2 ARG 650 1HB ARG 650 -2.791 17.404 -15.494 441 HB3 ARG 650 2HB ARG 650 -1.569 18.113 -16.556 442 HG2 ARG 650 1HG ARG 650 -3.604 18.884 -18.057 443 HG3 ARG 650 2HG ARG 650 -4.687 18.481 -16.709 444 HD2 ARG 650 1HD ARG 650 -4.002 20.909 -16.714 445 HD3 ARG 650 2HD ARG 650 -3.308 20.103 -15.289 446 HE ARG 650 HE ARG 650 -1.160 20.322 -16.179 447 HH11 ARG 650 1HH1 ARG 650 -3.473 21.326 -18.659 448 HH12 ARG 650 2HH1 ARG 650 -2.213 21.943 -19.695 449 HH21 ARG 650 1HH2 ARG 650 0.363 21.093 -17.556 450 HH22 ARG 650 2HH2 ARG 650 -0.085 21.846 -19.061 451 H LEU 651 H LEU 651 -3.737 14.431 -16.187 452 HA LEU 651 HA LEU 651 -6.217 15.885 -16.204 453 HB2 LEU 651 1HB LEU 651 -5.956 13.545 -17.966 454 HB3 LEU 651 2HB LEU 651 -7.348 13.506 -16.901 455 HG LEU 651 HG LEU 651 -8.412 14.592 -18.526 456 HD11 LEU 651 1HD1 LEU 651 -8.189 17.141 -18.756 457 HD12 LEU 651 2HD1 LEU 651 -6.805 17.144 -17.602 458 HD13 LEU 651 3HD1 LEU 651 -8.448 16.588 -17.104 459 HD21 LEU 651 1HD2 LEU 651 -7.522 15.289 -20.528 460 HD22 LEU 651 2HD2 LEU 651 -6.272 14.155 -19.972 461 HD23 LEU 651 3HD2 LEU 651 -6.029 15.901 -19.802 462 HA PRO 652 HA PRO 652 -6.414 14.100 -12.273 463 HB2 PRO 652 1HB PRO 652 -9.027 14.260 -11.564 464 HB3 PRO 652 2HB PRO 652 -8.051 15.738 -11.851 465 HG2 PRO 652 1HG PRO 652 -9.908 14.305 -13.727 466 HG3 PRO 652 2HG PRO 652 -9.881 16.041 -13.278 467 HD2 PRO 652 1HD PRO 652 -8.693 15.122 -15.531 468 HD3 PRO 652 2HD PRO 652 -7.985 16.468 -14.574 469 H SER 653 H SER 653 -7.269 12.329 -10.975 470 HA SER 653 HA SER 653 -6.957 9.878 -12.115 471 HB2 SER 653 1HB SER 653 -8.045 9.015 -10.030 472 HB3 SER 653 2HB SER 653 -6.832 10.285 -9.753 473 HG SER 653 HG SER 653 -8.863 10.543 -8.596 474 H GLY 654 H GLY 654 -10.138 11.477 -11.882 475 HA2 GLY 654 1HA GLY 654 -11.373 8.958 -12.879 476 HA3 GLY 654 2HA GLY 654 -12.212 10.246 -12.023 477 H SER 655 H SER 655 -10.001 11.099 -14.656 478 HA SER 655 HA SER 655 -12.231 12.344 -16.051 479 HB2 SER 655 1HB SER 655 -9.885 13.223 -16.088 480 HB3 SER 655 2HB SER 655 -9.415 11.829 -17.069 481 HG SER 655 HG SER 655 -10.492 12.644 -18.756 482 H ASP 656 H ASP 656 -13.472 11.540 -17.648 483 HA ASP 656 HA ASP 656 -13.471 8.694 -18.097 484 HB2 ASP 656 1HB ASP 656 -15.514 10.071 -18.020 485 HB3 ASP 656 2HB ASP 656 -14.975 10.956 -19.455 486 H HIS 657 H HIS 657 -12.554 11.500 -20.072 487 HA HIS 657 HA HIS 657 -10.959 9.790 -21.839 488 HB2 HIS 657 1HB HIS 657 -12.091 10.561 -23.887 489 HB3 HIS 657 2HB HIS 657 -13.180 9.609 -22.877 490 HD1 HIS 657 HD1 HIS 657 -15.300 10.761 -22.004 491 HD2 HIS 657 HD2 HIS 657 -12.691 13.342 -23.958 492 HE1 HIS 657 HE1 HIS 657 -16.544 12.928 -22.339 493 H VAL 658 H VAL 658 -9.952 11.290 -23.569 494 HA VAL 658 HA VAL 658 -9.613 14.044 -22.477 495 HB VAL 658 HB VAL 658 -7.644 12.932 -21.675 496 HG11 VAL 658 1HG1 VAL 658 -6.144 11.568 -23.093 497 HG12 VAL 658 2HG1 VAL 658 -7.755 10.848 -22.955 498 HG13 VAL 658 3HG1 VAL 658 -7.292 11.710 -24.438 499 HG21 VAL 658 1HG2 VAL 658 -5.837 14.052 -22.843 500 HG22 VAL 658 2HG2 VAL 658 -6.820 14.208 -24.315 501 HG23 VAL 658 3HG2 VAL 658 -7.257 15.116 -22.849 502 H MET 659 H MET 659 -9.847 15.566 -23.941 503 HA MET 659 HA MET 659 -10.086 14.809 -26.808 504 HB2 MET 659 1HB MET 659 -11.881 16.194 -25.787 505 HB3 MET 659 2HB MET 659 -10.677 17.389 -25.296 506 HG2 MET 659 1HG MET 659 -11.118 18.458 -27.204 507 HG3 MET 659 2HG MET 659 -10.258 17.152 -28.039 508 HE1 MET 659 1HE MET 659 -11.192 15.966 -29.863 509 HE2 MET 659 2HE MET 659 -12.840 16.213 -30.479 510 HE3 MET 659 3HE MET 659 -11.743 17.597 -30.318 511 H LEU 660 H LEU 660 -8.316 15.073 -28.075 512 HA LEU 660 HA LEU 660 -6.177 16.947 -27.104 513 HB2 LEU 660 1HB LEU 660 -6.074 14.661 -29.109 514 HB3 LEU 660 2HB LEU 660 -4.720 15.701 -28.673 515 HG LEU 660 HG LEU 660 -6.119 13.732 -26.832 516 HD11 LEU 660 1HD1 LEU 660 -3.364 13.733 -28.110 517 HD12 LEU 660 2HD1 LEU 660 -4.745 12.726 -28.608 518 HD13 LEU 660 3HD1 LEU 660 -4.020 12.504 -27.006 519 HD21 LEU 660 1HD2 LEU 660 -4.228 14.260 -25.283 520 HD22 LEU 660 2HD2 LEU 660 -5.303 15.644 -25.542 521 HD23 LEU 660 3HD2 LEU 660 -3.737 15.573 -26.375 522 H LYS 661 H LYS 661 -5.799 18.736 -28.281 523 HA LYS 661 HA LYS 661 -6.892 18.844 -31.076 524 HB2 LYS 661 1HB LYS 661 -6.777 21.168 -29.101 525 HB3 LYS 661 2HB LYS 661 -7.346 21.235 -30.770 526 HG2 LYS 661 1HG LYS 661 -9.042 19.335 -29.807 527 HG3 LYS 661 2HG LYS 661 -8.730 20.235 -28.319 528 HD2 LYS 661 1HD LYS 661 -10.543 21.426 -29.108 529 HD3 LYS 661 2HD LYS 661 -9.267 22.328 -29.957 530 HE2 LYS 661 1HE LYS 661 -9.589 20.923 -31.955 531 HE3 LYS 661 2HE LYS 661 -10.746 19.921 -31.082 532 HZ1 LYS 661 1HZ LYS 661 -11.201 22.751 -31.825 533 HZ2 LYS 661 2HZ LYS 661 -12.282 21.772 -31.052 534 HZ3 LYS 661 3HZ LYS 661 -11.830 21.441 -32.604 535 H SER 662 H SER 662 -5.682 20.974 -32.071 536 HA SER 662 HA SER 662 -3.706 21.793 -32.889 537 HB2 SER 662 1HB SER 662 -3.469 22.543 -30.477 538 HB3 SER 662 2HB SER 662 -2.428 21.129 -30.219 539 HG SER 662 HG SER 662 -1.147 21.950 -32.002 540 H LEU 663 H LEU 663 -4.255 19.393 -33.797 541 HA LEU 663 HA LEU 663 -1.597 18.129 -34.104 542 HB2 LEU 663 1HB LEU 663 -2.705 15.894 -34.039 543 HB3 LEU 663 2HB LEU 663 -2.673 16.722 -32.496 544 HG LEU 663 HG LEU 663 -5.146 17.426 -33.089 545 HD11 LEU 663 1HD1 LEU 663 -6.270 15.469 -34.265 546 HD12 LEU 663 2HD1 LEU 663 -4.662 15.058 -34.893 547 HD13 LEU 663 3HD1 LEU 663 -5.396 16.615 -35.297 548 HD21 LEU 663 1HD2 LEU 663 -4.397 16.017 -31.207 549 HD22 LEU 663 2HD2 LEU 663 -4.340 14.600 -32.285 550 HD23 LEU 663 3HD2 LEU 663 -5.891 15.393 -31.927 551 H ASP 664 H ASP 664 -1.532 16.936 -36.183 552 HA ASP 664 HA ASP 664 -2.825 18.496 -38.244 553 HB2 ASP 664 1HB ASP 664 -1.355 15.837 -38.472 554 HB3 ASP 664 2HB ASP 664 -1.765 16.922 -39.811 555 H TRP 665 H TRP 665 -4.558 17.851 -39.589 556 HA TRP 665 HA TRP 665 -6.020 15.421 -38.619 557 HB2 TRP 665 1HB TRP 665 -8.033 16.675 -39.622 558 HB3 TRP 665 2HB TRP 665 -7.365 17.238 -38.086 559 HD1 TRP 665 HD1 TRP 665 -5.965 19.568 -38.123 560 HE1 TRP 665 HE1 TRP 665 -6.003 21.585 -39.652 561 HE3 TRP 665 HE3 TRP 665 -8.358 17.382 -42.084 562 HZ2 TRP 665 HZ2 TRP 665 -6.902 22.183 -42.298 563 HZ3 TRP 665 HZ3 TRP 665 -8.778 18.766 -44.133 564 HH2 TRP 665 HH2 TRP 665 -8.042 21.141 -44.227 565 H ASN 666 H ASN 666 -4.786 17.143 -41.421 566 HA ASN 666 HA ASN 666 -6.041 15.226 -43.296 567 HB2 ASN 666 1HB ASN 666 -5.105 16.697 -45.009 568 HB3 ASN 666 2HB ASN 666 -5.970 17.663 -43.811 569 HD21 ASN 666 1HD2 ASN 666 -2.220 18.550 -44.664 570 HD22 ASN 666 2HD2 ASN 666 -3.280 17.559 -45.639 571 H ALA 667 H ALA 667 -3.611 14.887 -41.256 572 HA ALA 667 HA ALA 667 -2.018 13.193 -43.080 573 HB1 ALA 667 1HB ALA 667 0.109 14.149 -42.271 574 HB2 ALA 667 2HB ALA 667 -0.846 15.419 -43.068 575 HB3 ALA 667 3HB ALA 667 -0.770 15.344 -41.291 576 H GLU 668 H GLU 668 -0.528 11.820 -41.641 577 HA GLU 668 HA GLU 668 -2.178 10.914 -39.396 578 HB2 GLU 668 1HB GLU 668 -0.181 9.230 -39.203 579 HB3 GLU 668 2HB GLU 668 -1.351 9.068 -40.499 580 HG2 GLU 668 1HG GLU 668 1.051 10.695 -41.150 581 HG3 GLU 668 2HG GLU 668 1.321 8.974 -40.850 582 H TYR 669 H TYR 669 -1.563 10.613 -37.318 583 HA TYR 669 HA TYR 669 0.909 11.898 -36.349 584 HB2 TYR 669 1HB TYR 669 -0.372 13.152 -34.646 585 HB3 TYR 669 2HB TYR 669 -0.764 13.677 -36.284 586 HD1 TYR 669 HD1 TYR 669 -2.933 13.262 -37.281 587 HD2 TYR 669 HD2 TYR 669 -2.036 11.988 -33.272 588 HE1 TYR 669 HE1 TYR 669 -5.334 12.961 -36.845 589 HE2 TYR 669 HE2 TYR 669 -4.462 11.681 -32.834 590 HH TYR 669 HH TYR 669 -6.912 12.484 -35.315 591 H GLU 670 H GLU 670 1.288 11.299 -34.080 592 HA GLU 670 HA GLU 670 0.003 8.667 -33.449 593 HB2 GLU 670 1HB GLU 670 2.171 7.946 -32.572 594 HB3 GLU 670 2HB GLU 670 2.298 8.392 -34.276 595 HG2 GLU 670 1HG GLU 670 3.175 10.660 -33.508 596 HG3 GLU 670 2HG GLU 670 3.277 9.977 -31.879 597 H VAL 671 H VAL 671 -0.569 8.289 -31.362 598 HA VAL 671 HA VAL 671 -0.116 10.515 -29.399 599 HB VAL 671 HB VAL 671 -2.624 8.819 -29.788 600 HG11 VAL 671 1HG1 VAL 671 -3.625 10.314 -28.046 601 HG12 VAL 671 2HG1 VAL 671 -2.309 9.308 -27.422 602 HG13 VAL 671 3HG1 VAL 671 -2.018 11.028 -27.778 603 HG21 VAL 671 1HG2 VAL 671 -2.502 10.502 -31.539 604 HG22 VAL 671 2HG2 VAL 671 -3.755 10.957 -30.372 605 HG23 VAL 671 3HG2 VAL 671 -2.179 11.776 -30.342 606 H TYR 672 H TYR 672 0.730 9.823 -27.505 607 HA TYR 672 HA TYR 672 0.486 6.908 -26.817 608 HB2 TYR 672 1HB TYR 672 2.770 8.876 -26.439 609 HB3 TYR 672 2HB TYR 672 2.614 7.408 -25.463 610 HD1 TYR 672 HD1 TYR 672 3.395 5.328 -26.253 611 HD2 TYR 672 HD2 TYR 672 2.869 8.585 -29.001 612 HE1 TYR 672 HE1 TYR 672 4.454 3.971 -28.047 613 HE2 TYR 672 HE2 TYR 672 3.982 7.247 -30.792 614 HH TYR 672 HH TYR 672 4.998 5.314 -31.343 615 H VAL 673 H VAL 673 -0.189 6.498 -24.730 616 HA VAL 673 HA VAL 673 -0.425 8.813 -22.889 617 HB VAL 673 HB VAL 673 -2.571 8.878 -23.959 618 HG11 VAL 673 1HG1 VAL 673 -4.064 6.807 -24.053 619 HG12 VAL 673 2HG1 VAL 673 -2.699 6.860 -25.186 620 HG13 VAL 673 3HG1 VAL 673 -2.595 5.858 -23.727 621 HG21 VAL 673 1HG2 VAL 673 -4.119 8.413 -22.169 622 HG22 VAL 673 2HG2 VAL 673 -2.983 7.280 -21.410 623 HG23 VAL 673 3HG2 VAL 673 -2.598 9.009 -21.473 624 H VAL 674 H VAL 674 -0.037 8.292 -20.819 625 HA VAL 674 HA VAL 674 -0.137 5.412 -20.051 626 HB VAL 674 HB VAL 674 1.927 5.705 -18.661 627 HG11 VAL 674 1HG1 VAL 674 2.280 6.152 -21.645 628 HG12 VAL 674 2HG1 VAL 674 3.583 5.663 -20.528 629 HG13 VAL 674 3HG1 VAL 674 2.182 4.609 -20.764 630 HG21 VAL 674 1HG2 VAL 674 2.254 8.334 -20.162 631 HG22 VAL 674 2HG2 VAL 674 1.914 8.145 -18.426 632 HG23 VAL 674 3HG2 VAL 674 3.458 7.584 -19.091 633 H ALA 675 H ALA 675 -0.324 5.099 -17.782 634 HA ALA 675 HA ALA 675 -1.709 7.352 -16.383 635 HB1 ALA 675 1HB ALA 675 -3.080 5.802 -15.495 636 HB2 ALA 675 2HB ALA 675 -2.572 4.802 -16.864 637 HB3 ALA 675 3HB ALA 675 -1.784 4.611 -15.286 638 H GLU 676 H GLU 676 -0.982 7.846 -14.258 639 HA GLU 676 HA GLU 676 1.550 6.482 -13.398 640 HB2 GLU 676 1HB GLU 676 1.903 8.757 -14.475 641 HB3 GLU 676 2HB GLU 676 0.923 9.455 -13.188 642 HG2 GLU 676 1HG GLU 676 2.542 8.617 -11.525 643 HG3 GLU 676 2HG GLU 676 3.513 7.946 -12.846 644 H ASN 677 H ASN 677 0.919 5.373 -11.567 645 HA ASN 677 HA ASN 677 -0.970 6.837 -9.782 646 HB2 ASN 677 1HB ASN 677 -1.933 4.913 -9.019 647 HB3 ASN 677 2HB ASN 677 -1.632 4.495 -10.704 648 HD21 ASN 677 1HD2 ASN 677 -0.669 1.635 -8.617 649 HD22 ASN 677 2HD2 ASN 677 -2.129 2.555 -8.932 650 H GLN 678 H GLN 678 -0.457 6.070 -7.335 651 HA GLN 678 HA GLN 678 2.013 7.463 -6.938 652 HB2 GLN 678 1HB GLN 678 -0.184 7.454 -5.605 653 HB3 GLN 678 2HB GLN 678 0.474 6.018 -4.782 654 HG2 GLN 678 1HG GLN 678 2.440 7.346 -4.058 655 HG3 GLN 678 2HG GLN 678 1.802 8.757 -4.916 656 HE21 GLN 678 1HE2 GLN 678 0.609 7.919 -1.175 657 HE22 GLN 678 2HE2 GLN 678 1.863 7.024 -2.003 658 H GLN 679 H GLN 679 1.740 4.269 -7.781 659 HA GLN 679 HA GLN 679 4.210 3.570 -6.245 660 HB2 GLN 679 1HB GLN 679 1.794 1.905 -6.952 661 HB3 GLN 679 2HB GLN 679 3.373 1.159 -6.748 662 HG2 GLN 679 1HG GLN 679 2.444 0.930 -4.641 663 HG3 GLN 679 2HG GLN 679 3.514 2.314 -4.470 664 HE21 GLN 679 1HE2 GLN 679 -0.328 3.638 -4.826 665 HE22 GLN 679 2HE2 GLN 679 0.489 2.819 -6.138 666 H GLY 680 H GLY 680 2.844 3.971 -9.421 667 HA2 GLY 680 1HA GLY 680 5.294 3.532 -10.737 668 HA3 GLY 680 2HA GLY 680 4.403 2.007 -10.779 669 H LYS 681 H LYS 681 4.487 2.377 -13.168 670 HA LYS 681 HA LYS 681 2.299 4.273 -13.998 671 HB2 LYS 681 1HB LYS 681 4.982 3.748 -15.294 672 HB3 LYS 681 2HB LYS 681 3.625 4.502 -16.137 673 HG2 LYS 681 1HG LYS 681 3.791 5.924 -13.753 674 HG3 LYS 681 2HG LYS 681 5.481 5.642 -14.195 675 HD2 LYS 681 1HD LYS 681 3.941 6.419 -16.540 676 HD3 LYS 681 2HD LYS 681 3.701 7.589 -15.239 677 HE2 LYS 681 1HE LYS 681 6.412 6.588 -16.104 678 HE3 LYS 681 2HE LYS 681 5.622 8.030 -16.779 679 HZ1 LYS 681 1HZ LYS 681 7.093 8.650 -14.968 680 HZ2 LYS 681 2HZ LYS 681 6.334 7.625 -13.925 681 HZ3 LYS 681 3HZ LYS 681 5.537 8.949 -14.499 682 H SER 682 H SER 682 1.367 3.848 -16.099 683 HA SER 682 HA SER 682 0.804 0.947 -16.277 684 HB2 SER 682 1HB SER 682 -1.094 1.523 -17.524 685 HB3 SER 682 2HB SER 682 -0.953 2.859 -16.386 686 HG SER 682 HG SER 682 -0.214 2.795 -19.130 687 H LYS 683 H LYS 683 0.751 -0.113 -18.405 688 HA LYS 683 HA LYS 683 3.143 0.418 -19.959 689 HB2 LYS 683 1HB LYS 683 1.782 -1.814 -19.750 690 HB3 LYS 683 2HB LYS 683 0.727 -1.090 -20.973 691 HG2 LYS 683 1HG LYS 683 2.713 -0.803 -22.469 692 HG3 LYS 683 2HG LYS 683 3.693 -1.678 -21.284 693 HD2 LYS 683 1HD LYS 683 1.210 -2.818 -22.627 694 HD3 LYS 683 2HD LYS 683 2.863 -3.054 -23.223 695 HE2 LYS 683 1HE LYS 683 3.472 -4.075 -21.010 696 HE3 LYS 683 2HE LYS 683 1.763 -3.970 -20.534 697 HZ1 LYS 683 1HZ LYS 683 1.220 -5.382 -22.430 698 HZ2 LYS 683 2HZ LYS 683 2.301 -6.144 -21.443 699 HZ3 LYS 683 3HZ LYS 683 2.808 -5.478 -22.866 700 H ALA 684 H ALA 684 3.243 1.492 -21.970 701 HA ALA 684 HA ALA 684 1.324 3.607 -22.367 702 HB1 ALA 684 1HB ALA 684 3.744 3.808 -22.947 703 HB2 ALA 684 2HB ALA 684 3.535 2.552 -24.193 704 HB3 ALA 684 3HB ALA 684 2.702 4.114 -24.356 705 H ALA 685 H ALA 685 -0.185 3.878 -23.935 706 HA ALA 685 HA ALA 685 -0.679 1.583 -25.794 707 HB1 ALA 685 1HB ALA 685 -2.771 3.454 -24.574 708 HB2 ALA 685 2HB ALA 685 -3.077 2.096 -25.677 709 HB3 ALA 685 3HB ALA 685 -2.499 1.783 -24.025 710 H HIS 686 H HIS 686 -0.815 2.317 -27.923 711 HA HIS 686 HA HIS 686 -0.800 5.237 -28.341 712 HB2 HIS 686 1HB HIS 686 1.032 4.939 -30.004 713 HB3 HIS 686 2HB HIS 686 1.492 4.657 -28.327 714 HD1 HIS 686 HD1 HIS 686 0.894 2.734 -31.542 715 HD2 HIS 686 HD2 HIS 686 2.410 2.156 -27.715 716 HE1 HIS 686 HE1 HIS 686 1.999 0.463 -31.534 717 H PHE 687 H PHE 687 -1.537 5.961 -30.343 718 HA PHE 687 HA PHE 687 -2.427 3.913 -32.257 719 HB2 PHE 687 1HB PHE 687 -4.701 4.366 -32.229 720 HB3 PHE 687 2HB PHE 687 -4.280 4.331 -30.512 721 HD1 PHE 687 HD1 PHE 687 -4.071 6.478 -29.224 722 HD2 PHE 687 HD2 PHE 687 -5.571 6.331 -33.255 723 HE1 PHE 687 HE1 PHE 687 -5.136 8.713 -28.913 724 HE2 PHE 687 HE2 PHE 687 -6.605 8.554 -32.954 725 HZ PHE 687 HZ PHE 687 -6.411 9.749 -30.777 726 H VAL 688 H VAL 688 -3.081 4.815 -34.312 727 HA VAL 688 HA VAL 688 -1.944 7.530 -34.826 728 HB VAL 688 HB VAL 688 -1.614 4.977 -36.495 729 HG11 VAL 688 1HG1 VAL 688 -1.866 6.942 -37.969 730 HG12 VAL 688 2HG1 VAL 688 -0.595 7.798 -37.066 731 HG13 VAL 688 3HG1 VAL 688 -0.197 6.345 -38.005 732 HG21 VAL 688 1HG2 VAL 688 0.825 5.289 -36.054 733 HG22 VAL 688 2HG2 VAL 688 0.438 6.646 -34.972 734 HG23 VAL 688 3HG2 VAL 688 -0.095 4.999 -34.566 735 H PHE 689 H PHE 689 -3.231 8.801 -36.167 736 HA PHE 689 HA PHE 689 -5.496 7.508 -37.592 737 HB2 PHE 689 1HB PHE 689 -6.297 7.973 -35.295 738 HB3 PHE 689 2HB PHE 689 -5.811 9.661 -35.465 739 HD1 PHE 689 HD1 PHE 689 -7.186 11.246 -36.666 740 HD2 PHE 689 HD2 PHE 689 -8.205 7.069 -36.639 741 HE1 PHE 689 HE1 PHE 689 -9.423 11.802 -37.582 742 HE2 PHE 689 HE2 PHE 689 -10.440 7.609 -37.599 743 HZ PHE 689 HZ PHE 689 -11.058 9.981 -38.064 744 H ARG 690 H ARG 690 -6.532 8.924 -39.132 745 HA ARG 690 HA ARG 690 -5.607 11.680 -39.490 746 HB2 ARG 690 1HB ARG 690 -5.555 10.586 -42.124 747 HB3 ARG 690 2HB ARG 690 -4.299 11.465 -41.282 748 HG2 ARG 690 1HG ARG 690 -3.147 9.638 -41.864 749 HG3 ARG 690 2HG ARG 690 -3.706 9.085 -40.294 750 HD2 ARG 690 1HD ARG 690 -5.566 7.864 -41.401 751 HD3 ARG 690 2HD ARG 690 -4.996 8.450 -42.978 752 HE ARG 690 HE ARG 690 -3.855 6.304 -41.380 753 HH11 ARG 690 1HH1 ARG 690 -3.092 8.670 -43.895 754 HH12 ARG 690 2HH1 ARG 690 -1.674 7.796 -44.405 755 HH21 ARG 690 1HH2 ARG 690 -2.055 5.228 -42.146 756 HH22 ARG 690 2HH2 ARG 690 -1.114 5.904 -43.450 757 H THR 691 H THR 691 -7.096 12.739 -41.026 758 HA THR 691 HA THR 691 -9.474 11.121 -41.791 759 HB THR 691 HB THR 691 -10.020 12.164 -39.579 760 HG1 THR 691 HG1 THR 691 -11.957 13.003 -40.273 761 HG21 THR 691 1HG2 THR 691 -10.330 14.627 -39.458 762 HG22 THR 691 2HG2 THR 691 -9.504 14.791 -41.023 763 HG23 THR 691 3HG2 THR 691 -8.627 14.151 -39.615 764 H HIS 692 H HIS 692 -10.902 13.166 -42.968 765 HA HIS 692 HA HIS 692 -11.025 14.322 -44.947 766 HB2 HIS 692 1HB HIS 692 -9.594 15.857 -43.395 767 HB3 HIS 692 2HB HIS 692 -8.256 15.418 -44.460 768 HD1 HIS 692 HD1 HIS 692 -11.543 17.309 -44.457 769 HD2 HIS 692 HD2 HIS 692 -8.306 16.592 -46.967 770 HE1 HIS 692 HE1 HIS 692 -11.751 18.923 -46.391 771 H HIS 693 H HIS 693 -10.157 11.672 -45.117 772 HA HIS 693 HA HIS 693 -8.253 11.758 -47.418 773 HB2 HIS 693 1HB HIS 693 -7.556 10.553 -45.252 774 HB3 HIS 693 2HB HIS 693 -8.815 9.372 -45.636 775 HD1 HIS 693 HD1 HIS 693 -5.469 10.652 -46.883 776 HD2 HIS 693 HD2 HIS 693 -8.192 7.612 -47.692 777 HE1 HIS 693 HE1 HIS 693 -4.318 9.046 -48.457 778 H HIS 694 H HIS 694 -8.787 10.381 -49.198 779 HA HIS 694 HA HIS 694 -11.575 10.328 -49.803 780 HB2 HIS 694 1HB HIS 694 -9.254 8.873 -51.124 781 HB3 HIS 694 2HB HIS 694 -10.868 9.074 -51.818 782 HD1 HIS 694 HD1 HIS 694 -7.591 10.758 -51.565 783 HD2 HIS 694 HD2 HIS 694 -11.519 11.834 -52.413 784 HE1 HIS 694 HE1 HIS 694 -7.505 13.041 -52.649 785 H HIS 695 H HIS 695 -13.086 8.746 -49.753 786 HA HIS 695 HA HIS 695 -12.569 6.389 -48.123 787 HB2 HIS 695 1HB HIS 695 -14.932 5.858 -48.600 788 HB3 HIS 695 2HB HIS 695 -14.747 7.518 -48.026 789 HD1 HIS 695 HD1 HIS 695 -15.688 9.355 -49.522 790 HD2 HIS 695 HD2 HIS 695 -15.386 5.686 -51.459 791 HE1 HIS 695 HE1 HIS 695 -16.822 9.618 -51.765 792 H HIS 696 H HIS 696 -13.114 4.180 -48.988 793 HA HIS 696 HA HIS 696 -12.866 3.759 -51.880 794 HB2 HIS 696 1HB HIS 696 -10.825 2.388 -51.687 795 HB3 HIS 696 2HB HIS 696 -10.483 4.050 -51.189 796 HD1 HIS 696 HD1 HIS 696 -10.890 0.543 -49.762 797 HD2 HIS 696 HD2 HIS 696 -9.705 4.353 -48.514 798 HE1 HIS 696 HE1 HIS 696 -9.917 0.265 -47.444 799 H HIS 697 H HIS 697 -13.055 1.345 -52.254 800 HA HIS 697 HA HIS 697 -14.812 0.076 -50.277 801 HB2 HIS 697 1HB HIS 697 -15.075 -0.216 -52.774 802 HB3 HIS 697 2HB HIS 697 -13.509 -1.039 -52.803 803 HD1 HIS 697 HD1 HIS 697 -15.004 -3.104 -53.780 804 HD2 HIS 697 HD2 HIS 697 -15.615 -2.090 -49.793 805 HE1 HIS 697 HE1 HIS 697 -16.209 -5.051 -52.712 Start of MODEL 10 1 H1 MET 595 1H MET 595 2.608 -0.358 0.045 2 H2 MET 595 2H MET 595 4.247 -0.485 0.204 3 H3 MET 595 3H MET 595 3.563 0.970 -0.161 4 HA MET 595 HA MET 595 2.839 0.223 -2.270 5 HB2 MET 595 1HB MET 595 4.951 0.052 -3.385 6 HB3 MET 595 2HB MET 595 5.104 1.183 -2.039 7 HG2 MET 595 1HG MET 595 6.166 -0.637 -0.688 8 HG3 MET 595 2HG MET 595 6.121 -1.677 -2.124 9 HE1 MET 595 1HE MET 595 6.914 0.199 -4.611 10 HE2 MET 595 2HE MET 595 8.679 0.003 -4.559 11 HE3 MET 595 3HE MET 595 7.624 -1.397 -4.257 12 H GLN 596 H GLN 596 4.102 -2.460 -0.251 13 HA GLN 596 HA GLN 596 4.293 -4.401 -2.222 14 HB2 GLN 596 1HB GLN 596 4.956 -4.537 0.181 15 HB3 GLN 596 2HB GLN 596 3.264 -4.826 0.594 16 HG2 GLN 596 1HG GLN 596 3.277 -6.891 -0.753 17 HG3 GLN 596 2HG GLN 596 4.963 -6.589 -1.207 18 HE21 GLN 596 1HE2 GLN 596 5.373 -8.923 1.493 19 HE22 GLN 596 2HE2 GLN 596 5.028 -8.853 -0.218 20 HA PRO 597 HA PRO 597 -0.050 -5.885 -1.960 21 HB2 PRO 597 1HB PRO 597 -2.167 -4.548 -0.971 22 HB3 PRO 597 2HB PRO 597 -1.011 -5.388 0.114 23 HG2 PRO 597 1HG PRO 597 -1.106 -2.488 -0.665 24 HG3 PRO 597 2HG PRO 597 -1.036 -3.211 0.972 25 HD2 PRO 597 1HD PRO 597 1.186 -2.325 -0.346 26 HD3 PRO 597 2HD PRO 597 1.228 -3.729 0.776 27 H VAL 598 H VAL 598 0.757 -2.807 -3.176 28 HA VAL 598 HA VAL 598 -1.582 -2.850 -5.030 29 HB VAL 598 HB VAL 598 -1.992 -0.805 -4.122 30 HG11 VAL 598 1HG1 VAL 598 -0.425 -0.969 -2.286 31 HG12 VAL 598 2HG1 VAL 598 0.936 -0.561 -3.364 32 HG13 VAL 598 3HG1 VAL 598 -0.314 0.646 -2.995 33 HG21 VAL 598 1HG2 VAL 598 -0.959 1.073 -5.315 34 HG22 VAL 598 2HG2 VAL 598 0.373 0.032 -5.854 35 HG23 VAL 598 3HG2 VAL 598 -1.272 -0.253 -6.442 36 H ARG 599 H ARG 599 -1.248 -2.983 -7.116 37 HA ARG 599 HA ARG 599 1.567 -3.205 -8.064 38 HB2 ARG 599 1HB ARG 599 0.542 -4.425 -9.961 39 HB3 ARG 599 2HB ARG 599 0.116 -5.148 -8.404 40 HG2 ARG 599 1HG ARG 599 -2.068 -3.850 -8.506 41 HG3 ARG 599 2HG ARG 599 -1.646 -3.397 -10.158 42 HD2 ARG 599 1HD ARG 599 -3.136 -5.298 -10.228 43 HD3 ARG 599 2HD ARG 599 -1.521 -5.849 -10.711 44 HE ARG 599 HE ARG 599 -1.372 -7.137 -8.782 45 HH11 ARG 599 1HH1 ARG 599 -4.260 -5.076 -8.466 46 HH12 ARG 599 2HH1 ARG 599 -4.801 -5.941 -7.057 47 HH21 ARG 599 1HH2 ARG 599 -2.161 -8.156 -6.984 48 HH22 ARG 599 2HH2 ARG 599 -3.646 -7.631 -6.239 49 H GLU 600 H GLU 600 1.949 -2.397 -10.300 50 HA GLU 600 HA GLU 600 1.208 0.364 -10.525 51 HB2 GLU 600 1HB GLU 600 2.519 -1.579 -12.473 52 HB3 GLU 600 2HB GLU 600 2.335 0.152 -12.767 53 HG2 GLU 600 1HG GLU 600 3.577 0.528 -10.585 54 HG3 GLU 600 2HG GLU 600 3.994 -1.189 -10.632 55 HA PRO 601 HA PRO 601 -2.547 -0.074 -12.698 56 HB2 PRO 601 1HB PRO 601 -2.620 2.081 -14.400 57 HB3 PRO 601 2HB PRO 601 -2.788 2.211 -12.631 58 HG2 PRO 601 1HG PRO 601 -0.418 2.692 -14.320 59 HG3 PRO 601 2HG PRO 601 -1.034 3.635 -12.951 60 HD2 PRO 601 1HD PRO 601 1.043 1.874 -12.805 61 HD3 PRO 601 2HD PRO 601 -0.033 2.244 -11.428 62 H SER 602 H SER 602 -3.630 -0.572 -14.602 63 HA SER 602 HA SER 602 -2.049 -2.007 -16.571 64 HB2 SER 602 1HB SER 602 -4.258 -2.813 -15.686 65 HB3 SER 602 2HB SER 602 -5.036 -1.453 -16.517 66 HG SER 602 HG SER 602 -5.104 -3.263 -17.834 67 H ALA 603 H ALA 603 -2.196 -1.573 -18.873 68 HA ALA 603 HA ALA 603 -1.632 1.101 -19.550 69 HB1 ALA 603 1HB ALA 603 -2.661 -1.117 -21.389 70 HB2 ALA 603 2HB ALA 603 -1.773 0.341 -21.891 71 HB3 ALA 603 3HB ALA 603 -0.958 -0.897 -20.910 72 HA PRO 604 HA PRO 604 -5.634 2.890 -19.635 73 HB2 PRO 604 1HB PRO 604 -5.347 4.911 -21.472 74 HB3 PRO 604 2HB PRO 604 -4.609 4.954 -19.837 75 HG2 PRO 604 1HG PRO 604 -3.391 4.103 -22.425 76 HG3 PRO 604 2HG PRO 604 -2.772 5.260 -21.212 77 HD2 PRO 604 1HD PRO 604 -1.893 2.756 -21.282 78 HD3 PRO 604 2HD PRO 604 -2.215 3.572 -19.711 79 H LYS 605 H LYS 605 -7.546 3.166 -20.847 80 HA LYS 605 HA LYS 605 -7.883 1.082 -22.857 81 HB2 LYS 605 1HB LYS 605 -9.746 3.195 -21.671 82 HB3 LYS 605 2HB LYS 605 -10.251 2.046 -22.908 83 HG2 LYS 605 1HG LYS 605 -11.006 1.012 -20.987 84 HG3 LYS 605 2HG LYS 605 -9.464 0.194 -21.251 85 HD2 LYS 605 1HD LYS 605 -9.301 2.621 -19.526 86 HD3 LYS 605 2HD LYS 605 -10.305 1.319 -18.869 87 HE2 LYS 605 1HE LYS 605 -7.880 0.146 -19.907 88 HE3 LYS 605 2HE LYS 605 -7.441 1.519 -18.883 89 HZ1 LYS 605 1HZ LYS 605 -9.133 -0.760 -18.068 90 HZ2 LYS 605 2HZ LYS 605 -8.799 0.556 -17.120 91 HZ3 LYS 605 3HZ LYS 605 -7.583 -0.440 -17.577 92 H LEU 606 H LEU 606 -8.718 1.490 -25.063 93 HA LEU 606 HA LEU 606 -8.514 4.253 -26.020 94 HB2 LEU 606 1HB LEU 606 -6.191 3.306 -26.094 95 HB3 LEU 606 2HB LEU 606 -6.761 2.052 -27.177 96 HG LEU 606 HG LEU 606 -5.452 4.072 -28.104 97 HD11 LEU 606 1HD1 LEU 606 -6.442 2.423 -29.569 98 HD12 LEU 606 2HD1 LEU 606 -6.706 4.045 -30.238 99 HD13 LEU 606 3HD1 LEU 606 -8.034 3.188 -29.437 100 HD21 LEU 606 1HD2 LEU 606 -6.760 6.022 -28.763 101 HD22 LEU 606 2HD2 LEU 606 -6.776 5.828 -27.001 102 HD23 LEU 606 3HD2 LEU 606 -8.196 5.378 -27.960 103 H GLU 607 H GLU 607 -9.965 4.610 -27.602 104 HA GLU 607 HA GLU 607 -11.078 2.259 -29.085 105 HB2 GLU 607 1HB GLU 607 -12.474 4.691 -27.968 106 HB3 GLU 607 2HB GLU 607 -13.203 3.653 -29.191 107 HG2 GLU 607 1HG GLU 607 -13.172 1.762 -27.677 108 HG3 GLU 607 2HG GLU 607 -12.297 2.709 -26.460 109 H GLY 608 H GLY 608 -9.677 5.461 -29.222 110 HA2 GLY 608 1HA GLY 608 -8.967 6.681 -31.050 111 HA3 GLY 608 2HA GLY 608 -9.382 5.289 -32.073 112 H GLN 609 H GLN 609 -11.279 7.490 -29.956 113 HA GLN 609 HA GLN 609 -13.515 7.352 -31.786 114 HB2 GLN 609 1HB GLN 609 -13.075 9.235 -29.457 115 HB3 GLN 609 2HB GLN 609 -14.616 8.802 -30.187 116 HG2 GLN 609 1HG GLN 609 -14.762 7.334 -28.481 117 HG3 GLN 609 2HG GLN 609 -13.644 6.333 -29.421 118 HE21 GLN 609 1HE2 GLN 609 -12.609 8.013 -25.880 119 HE22 GLN 609 2HE2 GLN 609 -14.184 8.184 -26.618 120 H MET 610 H MET 610 -13.627 8.455 -33.621 121 HA MET 610 HA MET 610 -11.833 10.370 -34.536 122 HB2 MET 610 1HB MET 610 -13.753 8.955 -35.658 123 HB3 MET 610 2HB MET 610 -14.721 10.406 -35.421 124 HG2 MET 610 1HG MET 610 -12.084 10.314 -36.933 125 HG3 MET 610 2HG MET 610 -13.662 10.139 -37.695 126 HE1 MET 610 1HE MET 610 -15.204 13.692 -37.508 127 HE2 MET 610 2HE MET 610 -15.382 12.017 -38.081 128 HE3 MET 610 3HE MET 610 -15.531 12.388 -36.344 129 H GLY 611 H GLY 611 -11.575 12.535 -34.431 130 HA2 GLY 611 1HA GLY 611 -13.220 14.001 -32.491 131 HA3 GLY 611 2HA GLY 611 -11.744 14.565 -33.279 132 H GLU 612 H GLU 612 -15.150 14.557 -33.266 133 HA GLU 612 HA GLU 612 -15.687 15.289 -35.978 134 HB2 GLU 612 1HB GLU 612 -17.874 15.969 -35.139 135 HB3 GLU 612 2HB GLU 612 -17.399 14.403 -34.485 136 HG2 GLU 612 1HG GLU 612 -17.001 16.951 -32.879 137 HG3 GLU 612 2HG GLU 612 -18.553 16.114 -32.916 138 H ASP 613 H ASP 613 -14.450 17.137 -33.313 139 HA ASP 613 HA ASP 613 -15.239 19.761 -34.168 140 HB2 ASP 613 1HB ASP 613 -12.807 18.768 -32.620 141 HB3 ASP 613 2HB ASP 613 -13.190 20.478 -32.849 142 H GLY 614 H GLY 614 -12.858 17.504 -35.339 143 HA2 GLY 614 1HA GLY 614 -11.382 17.686 -37.129 144 HA3 GLY 614 2HA GLY 614 -11.905 19.370 -37.388 145 H ASN 615 H ASN 615 -9.128 18.331 -37.302 146 HA ASN 615 HA ASN 615 -7.076 18.785 -36.342 147 HB2 ASN 615 1HB ASN 615 -8.285 21.128 -36.750 148 HB3 ASN 615 2HB ASN 615 -8.232 21.222 -34.986 149 HD21 ASN 615 1HD2 ASN 615 -4.653 21.437 -34.904 150 HD22 ASN 615 2HD2 ASN 615 -6.019 20.725 -34.053 151 H SER 616 H SER 616 -9.074 17.173 -34.839 152 HA SER 616 HA SER 616 -7.941 17.307 -32.120 153 HB2 SER 616 1HB SER 616 -10.935 17.383 -32.603 154 HB3 SER 616 2HB SER 616 -10.079 17.548 -31.063 155 HG SER 616 HG SER 616 -10.207 19.392 -33.225 156 H ILE 617 H ILE 617 -8.734 15.476 -30.751 157 HA ILE 617 HA ILE 617 -10.385 13.412 -31.983 158 HB ILE 617 HB ILE 617 -8.098 12.926 -32.925 159 HG12 ILE 617 1HG1 ILE 617 -8.864 10.641 -31.147 160 HG13 ILE 617 2HG1 ILE 617 -10.061 11.295 -32.261 161 HG21 ILE 617 1HG2 ILE 617 -7.377 12.164 -30.060 162 HG22 ILE 617 2HG2 ILE 617 -6.369 11.933 -31.504 163 HG23 ILE 617 3HG2 ILE 617 -6.739 13.569 -30.940 164 HD11 ILE 617 1HD1 ILE 617 -8.850 9.353 -33.137 165 HD12 ILE 617 2HD1 ILE 617 -8.719 10.810 -34.144 166 HD13 ILE 617 3HD1 ILE 617 -7.357 10.323 -33.112 167 H LYS 618 H LYS 618 -10.994 11.719 -30.396 168 HA LYS 618 HA LYS 618 -10.369 12.575 -27.582 169 HB2 LYS 618 1HB LYS 618 -12.749 10.890 -28.377 170 HB3 LYS 618 2HB LYS 618 -12.477 11.752 -26.876 171 HG2 LYS 618 1HG LYS 618 -13.964 13.204 -27.767 172 HG3 LYS 618 2HG LYS 618 -12.533 13.834 -28.592 173 HD2 LYS 618 1HD LYS 618 -13.789 13.534 -30.471 174 HD3 LYS 618 2HD LYS 618 -13.225 11.874 -30.329 175 HE2 LYS 618 1HE LYS 618 -15.561 11.746 -30.692 176 HE3 LYS 618 2HE LYS 618 -15.305 11.365 -28.975 177 HZ1 LYS 618 1HZ LYS 618 -15.918 13.666 -28.471 178 HZ2 LYS 618 2HZ LYS 618 -17.132 12.918 -29.307 179 HZ3 LYS 618 3HZ LYS 618 -16.151 13.986 -30.079 180 H VAL 619 H VAL 619 -9.328 11.063 -26.369 181 HA VAL 619 HA VAL 619 -9.258 8.278 -27.465 182 HB VAL 619 HB VAL 619 -7.037 8.412 -27.740 183 HG11 VAL 619 1HG1 VAL 619 -7.086 11.137 -26.369 184 HG12 VAL 619 2HG1 VAL 619 -5.689 10.443 -27.210 185 HG13 VAL 619 3HG1 VAL 619 -7.165 10.811 -28.117 186 HG21 VAL 619 1HG2 VAL 619 -6.806 9.020 -24.769 187 HG22 VAL 619 2HG2 VAL 619 -6.947 7.406 -25.489 188 HG23 VAL 619 3HG2 VAL 619 -5.520 8.405 -25.824 189 H ASN 620 H ASN 620 -9.680 6.715 -26.006 190 HA ASN 620 HA ASN 620 -11.212 7.400 -23.732 191 HB2 ASN 620 1HB ASN 620 -10.510 5.087 -25.214 192 HB3 ASN 620 2HB ASN 620 -10.105 4.747 -23.529 193 HD21 ASN 620 1HD2 ASN 620 -13.923 5.025 -24.773 194 HD22 ASN 620 2HD2 ASN 620 -12.596 5.439 -25.810 195 H LEU 621 H LEU 621 -10.879 7.223 -21.512 196 HA LEU 621 HA LEU 621 -8.062 6.800 -20.669 197 HB2 LEU 621 1HB LEU 621 -9.167 9.215 -20.669 198 HB3 LEU 621 2HB LEU 621 -9.765 8.662 -19.115 199 HG LEU 621 HG LEU 621 -7.444 8.316 -18.340 200 HD11 LEU 621 1HD1 LEU 621 -6.665 9.367 -21.088 201 HD12 LEU 621 2HD1 LEU 621 -6.256 7.789 -20.393 202 HD13 LEU 621 3HD1 LEU 621 -5.561 9.264 -19.702 203 HD21 LEU 621 1HD2 LEU 621 -8.507 10.425 -17.930 204 HD22 LEU 621 2HD2 LEU 621 -8.125 11.017 -19.568 205 HD23 LEU 621 3HD2 LEU 621 -6.828 10.758 -18.385 206 H ILE 622 H ILE 622 -8.100 6.667 -18.139 207 HA ILE 622 HA ILE 622 -9.692 4.287 -17.454 208 HB ILE 622 HB ILE 622 -7.369 5.813 -16.253 209 HG12 ILE 622 1HG1 ILE 622 -7.284 2.910 -16.832 210 HG13 ILE 622 2HG1 ILE 622 -7.345 3.987 -18.227 211 HG21 ILE 622 1HG2 ILE 622 -7.204 4.036 -14.527 212 HG22 ILE 622 2HG2 ILE 622 -8.618 5.078 -14.332 213 HG23 ILE 622 3HG2 ILE 622 -8.788 3.448 -15.023 214 HD11 ILE 622 1HD1 ILE 622 -5.318 4.171 -15.994 215 HD12 ILE 622 2HD1 ILE 622 -5.052 3.351 -17.545 216 HD13 ILE 622 3HD1 ILE 622 -5.349 5.111 -17.511 217 H LYS 623 H LYS 623 -11.497 4.370 -16.213 218 HA LYS 623 HA LYS 623 -11.907 6.765 -14.476 219 HB2 LYS 623 1HB LYS 623 -14.434 6.185 -14.833 220 HB3 LYS 623 2HB LYS 623 -13.559 7.163 -15.997 221 HG2 LYS 623 1HG LYS 623 -13.584 4.232 -16.556 222 HG3 LYS 623 2HG LYS 623 -15.132 5.084 -16.691 223 HD2 LYS 623 1HD LYS 623 -14.068 6.767 -18.132 224 HD3 LYS 623 2HD LYS 623 -12.560 5.833 -18.090 225 HE2 LYS 623 1HE LYS 623 -13.624 3.966 -19.153 226 HE3 LYS 623 2HE LYS 623 -15.224 4.738 -18.995 227 HZ1 LYS 623 1HZ LYS 623 -14.146 5.024 -21.219 228 HZ2 LYS 623 2HZ LYS 623 -12.986 5.948 -20.502 229 HZ3 LYS 623 3HZ LYS 623 -14.560 6.448 -20.479 230 H GLN 624 H GLN 624 -10.849 3.869 -14.102 231 HA GLN 624 HA GLN 624 -12.337 3.367 -11.607 232 HB2 GLN 624 1HB GLN 624 -12.731 1.031 -12.120 233 HB3 GLN 624 2HB GLN 624 -13.523 2.028 -13.337 234 HG2 GLN 624 1HG GLN 624 -10.811 0.721 -13.771 235 HG3 GLN 624 2HG GLN 624 -12.339 -0.061 -14.177 236 HE21 GLN 624 1HE2 GLN 624 -10.647 2.441 -16.763 237 HE22 GLN 624 2HE2 GLN 624 -9.863 1.846 -15.308 238 H ASP 625 H ASP 625 -11.116 1.472 -10.380 239 HA ASP 625 HA ASP 625 -8.295 2.141 -10.405 240 HB2 ASP 625 1HB ASP 625 -9.712 1.233 -8.428 241 HB3 ASP 625 2HB ASP 625 -9.474 -0.360 -9.164 242 H ASP 626 H ASP 626 -6.664 1.112 -11.446 243 HA ASP 626 HA ASP 626 -7.482 -0.944 -13.453 244 HB2 ASP 626 1HB ASP 626 -5.803 1.460 -13.485 245 HB3 ASP 626 2HB ASP 626 -5.053 0.077 -14.237 246 H GLY 627 H GLY 627 -6.006 -0.820 -10.498 247 HA2 GLY 627 1HA GLY 627 -4.718 -3.358 -10.992 248 HA3 GLY 627 2HA GLY 627 -3.525 -2.060 -10.856 249 H GLY 628 H GLY 628 -3.141 -1.046 -8.988 250 HA2 GLY 628 1HA GLY 628 -4.081 -2.577 -6.613 251 HA3 GLY 628 2HA GLY 628 -2.553 -1.745 -6.742 252 H SER 629 H SER 629 -3.989 0.683 -7.853 253 HA SER 629 HA SER 629 -5.569 1.633 -5.599 254 HB2 SER 629 1HB SER 629 -4.002 3.422 -4.960 255 HB3 SER 629 2HB SER 629 -3.204 1.854 -4.733 256 HG SER 629 HG SER 629 -2.964 3.335 -7.137 257 HA PRO 630 HA PRO 630 -6.982 3.947 -9.003 258 HB2 PRO 630 1HB PRO 630 -7.702 6.398 -7.996 259 HB3 PRO 630 2HB PRO 630 -8.631 4.896 -7.682 260 HG2 PRO 630 1HG PRO 630 -6.518 6.188 -5.971 261 HG3 PRO 630 2HG PRO 630 -8.179 5.673 -5.517 262 HD2 PRO 630 1HD PRO 630 -6.092 4.083 -5.010 263 HD3 PRO 630 2HD PRO 630 -7.619 3.380 -5.654 264 H ILE 631 H ILE 631 -6.483 5.522 -10.512 265 HA ILE 631 HA ILE 631 -3.695 6.206 -10.669 266 HB ILE 631 HB ILE 631 -6.158 6.778 -12.373 267 HG12 ILE 631 1HG1 ILE 631 -4.915 5.518 -14.091 268 HG13 ILE 631 2HG1 ILE 631 -3.517 5.385 -13.014 269 HG21 ILE 631 1HG2 ILE 631 -4.460 7.774 -14.036 270 HG22 ILE 631 2HG2 ILE 631 -4.940 8.801 -12.684 271 HG23 ILE 631 3HG2 ILE 631 -3.379 7.955 -12.674 272 HD11 ILE 631 1HD1 ILE 631 -6.210 4.133 -12.441 273 HD12 ILE 631 2HD1 ILE 631 -4.872 3.328 -13.288 274 HD13 ILE 631 3HD1 ILE 631 -4.663 3.836 -11.602 275 H ARG 632 H ARG 632 -2.669 8.129 -10.238 276 HA ARG 632 HA ARG 632 -4.281 10.202 -8.844 277 HB2 ARG 632 1HB ARG 632 -1.304 9.856 -9.331 278 HB3 ARG 632 2HB ARG 632 -2.012 11.262 -8.546 279 HG2 ARG 632 1HG ARG 632 -2.940 9.656 -6.774 280 HG3 ARG 632 2HG ARG 632 -1.854 8.422 -7.444 281 HD2 ARG 632 1HD ARG 632 -1.129 11.128 -6.255 282 HD3 ARG 632 2HD ARG 632 -0.656 9.522 -5.662 283 HE ARG 632 HE ARG 632 0.354 9.822 -8.322 284 HH11 ARG 632 1HH1 ARG 632 0.922 11.220 -5.119 285 HH12 ARG 632 2HH1 ARG 632 2.570 11.635 -5.503 286 HH21 ARG 632 1HH2 ARG 632 2.429 10.415 -8.741 287 HH22 ARG 632 2HH2 ARG 632 3.410 11.168 -7.505 288 H HIS 633 H HIS 633 -2.045 9.809 -11.646 289 HA HIS 633 HA HIS 633 -3.221 12.293 -12.826 290 HB2 HIS 633 1HB HIS 633 -0.255 11.650 -12.836 291 HB3 HIS 633 2HB HIS 633 -1.039 13.154 -13.338 292 HD1 HIS 633 HD1 HIS 633 -2.481 14.258 -11.078 293 HD2 HIS 633 HD2 HIS 633 0.873 11.885 -10.427 294 HE1 HIS 633 HE1 HIS 633 -1.663 14.783 -8.749 295 H TYR 634 H TYR 634 -2.796 12.575 -15.128 296 HA TYR 634 HA TYR 634 -2.100 10.039 -16.565 297 HB2 TYR 634 1HB TYR 634 -4.199 12.115 -17.285 298 HB3 TYR 634 2HB TYR 634 -3.692 10.774 -18.324 299 HD1 TYR 634 HD1 TYR 634 -5.906 11.798 -15.662 300 HD2 TYR 634 HD2 TYR 634 -3.990 8.381 -17.448 301 HE1 TYR 634 HE1 TYR 634 -7.525 10.277 -14.544 302 HE2 TYR 634 HE2 TYR 634 -5.616 6.895 -16.309 303 HH TYR 634 HH TYR 634 -8.234 8.176 -14.227 304 H LEU 635 H LEU 635 -0.830 10.264 -18.365 305 HA LEU 635 HA LEU 635 0.061 13.042 -19.019 306 HB2 LEU 635 1HB LEU 635 1.841 10.594 -18.896 307 HB3 LEU 635 2HB LEU 635 2.329 12.222 -19.297 308 HG LEU 635 HG LEU 635 1.456 12.688 -16.796 309 HD11 LEU 635 1HD1 LEU 635 2.133 10.835 -15.284 310 HD12 LEU 635 2HD1 LEU 635 2.413 9.782 -16.689 311 HD13 LEU 635 3HD1 LEU 635 0.773 10.348 -16.310 312 HD21 LEU 635 1HD2 LEU 635 4.142 11.443 -17.511 313 HD22 LEU 635 2HD2 LEU 635 3.798 12.456 -16.087 314 HD23 LEU 635 3HD2 LEU 635 3.699 13.154 -17.710 315 H VAL 636 H VAL 636 -0.152 13.449 -21.171 316 HA VAL 636 HA VAL 636 -0.279 11.115 -23.041 317 HB VAL 636 HB VAL 636 -1.830 13.704 -23.430 318 HG11 VAL 636 1HG1 VAL 636 -3.169 12.250 -24.991 319 HG12 VAL 636 2HG1 VAL 636 -1.478 12.459 -25.483 320 HG13 VAL 636 3HG1 VAL 636 -2.000 10.945 -24.706 321 HG21 VAL 636 1HG2 VAL 636 -2.753 11.142 -22.085 322 HG22 VAL 636 2HG2 VAL 636 -2.775 12.790 -21.417 323 HG23 VAL 636 3HG2 VAL 636 -3.868 12.354 -22.741 324 H ARG 637 H ARG 637 0.886 11.315 -24.943 325 HA ARG 637 HA ARG 637 2.269 13.923 -25.482 326 HB2 ARG 637 1HB ARG 637 3.800 12.568 -24.132 327 HB3 ARG 637 2HB ARG 637 3.528 11.161 -25.165 328 HG2 ARG 637 1HG ARG 637 4.718 12.067 -26.948 329 HG3 ARG 637 2HG ARG 637 4.690 13.696 -26.282 330 HD2 ARG 637 1HD ARG 637 6.178 11.352 -25.072 331 HD3 ARG 637 2HD ARG 637 6.903 12.614 -26.092 332 HE ARG 637 HE ARG 637 5.499 13.832 -23.908 333 HH11 ARG 637 1HH1 ARG 637 8.493 12.056 -24.541 334 HH12 ARG 637 2HH1 ARG 637 9.300 12.758 -23.166 335 HH21 ARG 637 1HH2 ARG 637 6.564 14.660 -22.195 336 HH22 ARG 637 2HH2 ARG 637 8.229 14.230 -21.860 337 H TYR 638 H TYR 638 2.176 14.353 -27.689 338 HA TYR 638 HA TYR 638 1.738 12.102 -29.551 339 HB2 TYR 638 1HB TYR 638 -0.293 13.126 -30.520 340 HB3 TYR 638 2HB TYR 638 -0.528 12.619 -28.846 341 HD1 TYR 638 HD1 TYR 638 -0.929 15.303 -31.175 342 HD2 TYR 638 HD2 TYR 638 -0.283 14.495 -26.992 343 HE1 TYR 638 HE1 TYR 638 -1.821 17.561 -30.582 344 HE2 TYR 638 HE2 TYR 638 -1.134 16.755 -26.438 345 HH TYR 638 HH TYR 638 -2.492 18.943 -28.868 346 H ARG 639 H ARG 639 1.934 12.694 -31.782 347 HA ARG 639 HA ARG 639 3.103 15.357 -32.402 348 HB2 ARG 639 1HB ARG 639 5.084 14.332 -31.710 349 HB3 ARG 639 2HB ARG 639 4.618 12.753 -32.260 350 HG2 ARG 639 1HG ARG 639 5.091 14.810 -34.353 351 HG3 ARG 639 2HG ARG 639 6.488 14.241 -33.444 352 HD2 ARG 639 1HD ARG 639 6.307 12.068 -34.211 353 HD3 ARG 639 2HD ARG 639 4.561 12.201 -34.499 354 HE ARG 639 HE ARG 639 5.768 14.007 -36.259 355 HH11 ARG 639 1HH1 ARG 639 5.759 10.483 -35.800 356 HH12 ARG 639 2HH1 ARG 639 6.081 10.198 -37.498 357 HH21 ARG 639 1HH2 ARG 639 6.154 13.554 -38.364 358 HH22 ARG 639 2HH2 ARG 639 6.293 11.905 -38.925 359 H ALA 640 H ALA 640 3.169 15.686 -34.700 360 HA ALA 640 HA ALA 640 1.654 13.646 -36.271 361 HB1 ALA 640 1HB ALA 640 0.286 15.317 -37.206 362 HB2 ALA 640 2HB ALA 640 0.261 15.622 -35.456 363 HB3 ALA 640 3HB ALA 640 1.268 16.622 -36.526 364 H LEU 641 H LEU 641 1.736 14.471 -38.715 365 HA LEU 641 HA LEU 641 4.414 14.183 -39.536 366 HB2 LEU 641 1HB LEU 641 2.356 13.759 -40.894 367 HB3 LEU 641 2HB LEU 641 2.134 15.499 -41.040 368 HG LEU 641 HG LEU 641 4.264 15.667 -42.296 369 HD11 LEU 641 1HD1 LEU 641 4.279 12.627 -42.037 370 HD12 LEU 641 2HD1 LEU 641 5.510 13.765 -41.429 371 HD13 LEU 641 3HD1 LEU 641 5.291 13.551 -43.173 372 HD21 LEU 641 1HD2 LEU 641 3.430 14.584 -44.349 373 HD22 LEU 641 2HD2 LEU 641 2.117 15.386 -43.466 374 HD23 LEU 641 3HD2 LEU 641 2.290 13.614 -43.384 375 H SER 642 H SER 642 2.443 17.149 -39.154 376 HA SER 642 HA SER 642 4.927 18.778 -39.524 377 HB2 SER 642 1HB SER 642 2.905 19.268 -40.914 378 HB3 SER 642 2HB SER 642 2.017 19.650 -39.426 379 HG SER 642 HG SER 642 2.863 21.531 -40.344 380 H SER 643 H SER 643 2.372 18.020 -37.147 381 HA SER 643 HA SER 643 3.223 20.167 -35.374 382 HB2 SER 643 1HB SER 643 1.384 17.816 -34.819 383 HB3 SER 643 2HB SER 643 1.641 19.201 -33.753 384 HG SER 643 HG SER 643 0.518 19.238 -36.385 385 H GLU 644 H GLU 644 4.362 20.136 -33.557 386 HA GLU 644 HA GLU 644 6.517 18.313 -33.260 387 HB2 GLU 644 1HB GLU 644 7.068 19.687 -31.352 388 HB3 GLU 644 2HB GLU 644 6.357 20.751 -32.579 389 HG2 GLU 644 1HG GLU 644 4.119 20.425 -31.368 390 HG3 GLU 644 2HG GLU 644 5.036 19.672 -30.059 391 H TRP 645 H TRP 645 7.132 17.170 -31.244 392 HA TRP 645 HA TRP 645 5.081 15.481 -30.091 393 HB2 TRP 645 1HB TRP 645 7.999 16.030 -29.480 394 HB3 TRP 645 2HB TRP 645 6.996 15.122 -28.347 395 HD1 TRP 645 HD1 TRP 645 9.149 14.567 -31.302 396 HE1 TRP 645 HE1 TRP 645 8.959 12.189 -32.192 397 HE3 TRP 645 HE3 TRP 645 4.926 13.204 -28.767 398 HZ2 TRP 645 HZ2 TRP 645 7.200 9.963 -31.850 399 HZ3 TRP 645 HZ3 TRP 645 4.016 10.889 -29.097 400 HH2 TRP 645 HH2 TRP 645 5.166 9.292 -30.628 401 H LYS 646 H LYS 646 3.479 16.639 -29.072 402 HA LYS 646 HA LYS 646 4.020 18.910 -27.363 403 HB2 LYS 646 1HB LYS 646 1.689 17.048 -27.771 404 HB3 LYS 646 2HB LYS 646 1.729 18.039 -26.308 405 HG2 LYS 646 1HG LYS 646 0.454 19.257 -27.904 406 HG3 LYS 646 2HG LYS 646 2.014 20.076 -27.773 407 HD2 LYS 646 1HD LYS 646 2.772 19.009 -29.851 408 HD3 LYS 646 2HD LYS 646 1.265 18.090 -29.957 409 HE2 LYS 646 1HE LYS 646 1.186 19.983 -31.467 410 HE3 LYS 646 2HE LYS 646 0.001 20.194 -30.173 411 HZ1 LYS 646 1HZ LYS 646 2.662 21.517 -30.246 412 HZ2 LYS 646 2HZ LYS 646 1.496 21.746 -29.109 413 HZ3 LYS 646 3HZ LYS 646 1.230 22.227 -30.661 414 HA PRO 647 HA PRO 647 6.089 16.528 -24.438 415 HB2 PRO 647 1HB PRO 647 6.168 18.143 -22.221 416 HB3 PRO 647 2HB PRO 647 7.093 18.471 -23.722 417 HG2 PRO 647 1HG PRO 647 4.437 19.607 -22.865 418 HG3 PRO 647 2HG PRO 647 5.891 20.464 -23.466 419 HD2 PRO 647 1HD PRO 647 3.812 19.860 -25.097 420 HD3 PRO 647 2HD PRO 647 5.518 19.788 -25.678 421 H GLU 648 H GLU 648 3.199 18.008 -22.815 422 HA GLU 648 HA GLU 648 2.396 15.373 -21.831 423 HB2 GLU 648 1HB GLU 648 4.176 16.150 -20.220 424 HB3 GLU 648 2HB GLU 648 3.201 17.586 -19.898 425 HG2 GLU 648 1HG GLU 648 1.375 16.116 -19.056 426 HG3 GLU 648 2HG GLU 648 2.421 14.711 -19.320 427 H ILE 649 H ILE 649 0.218 15.411 -21.249 428 HA ILE 649 HA ILE 649 -1.153 18.056 -21.235 429 HB ILE 649 HB ILE 649 -2.266 15.418 -22.303 430 HG12 ILE 649 1HG1 ILE 649 -0.623 16.390 -23.864 431 HG13 ILE 649 2HG1 ILE 649 -2.256 16.395 -24.513 432 HG21 ILE 649 1HG2 ILE 649 -3.528 18.195 -22.143 433 HG22 ILE 649 2HG2 ILE 649 -4.226 16.813 -23.025 434 HG23 ILE 649 3HG2 ILE 649 -4.028 16.735 -21.264 435 HD11 ILE 649 1HD1 ILE 649 -2.473 18.820 -24.137 436 HD12 ILE 649 2HD1 ILE 649 -0.893 18.867 -23.319 437 HD13 ILE 649 3HD1 ILE 649 -0.988 18.494 -25.049 438 H ARG 650 H ARG 650 -2.015 18.393 -19.319 439 HA ARG 650 HA ARG 650 -1.937 16.507 -17.160 440 HB2 ARG 650 1HB ARG 650 -2.990 18.256 -15.869 441 HB3 ARG 650 2HB ARG 650 -2.002 19.134 -17.048 442 HG2 ARG 650 1HG ARG 650 -4.149 19.325 -18.518 443 HG3 ARG 650 2HG ARG 650 -5.105 18.668 -17.185 444 HD2 ARG 650 1HD ARG 650 -4.349 20.592 -15.756 445 HD3 ARG 650 2HD ARG 650 -3.430 21.244 -17.133 446 HE ARG 650 HE ARG 650 -6.108 20.771 -17.964 447 HH11 ARG 650 1HH1 ARG 650 -4.340 23.006 -15.887 448 HH12 ARG 650 2HH1 ARG 650 -5.507 24.283 -16.108 449 HH21 ARG 650 1HH2 ARG 650 -7.556 22.441 -18.203 450 HH22 ARG 650 2HH2 ARG 650 -7.296 23.965 -17.401 451 H LEU 651 H LEU 651 -3.573 15.108 -16.357 452 HA LEU 651 HA LEU 651 -6.219 16.152 -16.750 453 HB2 LEU 651 1HB LEU 651 -5.486 13.757 -18.253 454 HB3 LEU 651 2HB LEU 651 -6.930 13.568 -17.271 455 HG LEU 651 HG LEU 651 -8.047 14.359 -19.018 456 HD11 LEU 651 1HD1 LEU 651 -8.101 16.882 -19.541 457 HD12 LEU 651 2HD1 LEU 651 -6.855 17.163 -18.276 458 HD13 LEU 651 3HD1 LEU 651 -8.465 16.457 -17.871 459 HD21 LEU 651 1HD2 LEU 651 -7.111 15.150 -21.017 460 HD22 LEU 651 2HD2 LEU 651 -5.928 14.002 -20.360 461 HD23 LEU 651 3HD2 LEU 651 -5.651 15.746 -20.228 462 HA PRO 652 HA PRO 652 -6.436 14.749 -12.676 463 HB2 PRO 652 1HB PRO 652 -9.064 14.946 -12.056 464 HB3 PRO 652 2HB PRO 652 -8.095 16.404 -12.447 465 HG2 PRO 652 1HG PRO 652 -9.896 14.795 -14.233 466 HG3 PRO 652 2HG PRO 652 -9.882 16.565 -13.946 467 HD2 PRO 652 1HD PRO 652 -8.636 15.409 -16.068 468 HD3 PRO 652 2HD PRO 652 -7.983 16.879 -15.265 469 H SER 653 H SER 653 -7.273 13.059 -11.275 470 HA SER 653 HA SER 653 -6.993 10.534 -12.226 471 HB2 SER 653 1HB SER 653 -8.852 11.190 -9.942 472 HB3 SER 653 2HB SER 653 -7.676 9.869 -10.069 473 HG SER 653 HG SER 653 -6.013 11.450 -9.992 474 H GLY 654 H GLY 654 -10.143 12.213 -12.147 475 HA2 GLY 654 1HA GLY 654 -11.439 9.651 -12.925 476 HA3 GLY 654 2HA GLY 654 -12.242 11.022 -12.174 477 H SER 655 H SER 655 -10.045 11.520 -14.925 478 HA SER 655 HA SER 655 -12.302 12.668 -16.398 479 HB2 SER 655 1HB SER 655 -9.942 13.558 -16.466 480 HB3 SER 655 2HB SER 655 -9.488 12.130 -17.403 481 HG SER 655 HG SER 655 -10.618 12.869 -19.102 482 H ASP 656 H ASP 656 -13.529 11.656 -17.926 483 HA ASP 656 HA ASP 656 -13.416 8.779 -18.101 484 HB2 ASP 656 1HB ASP 656 -15.558 9.784 -18.188 485 HB3 ASP 656 2HB ASP 656 -15.048 10.961 -19.409 486 H HIS 657 H HIS 657 -12.535 11.408 -20.311 487 HA HIS 657 HA HIS 657 -10.855 9.577 -21.861 488 HB2 HIS 657 1HB HIS 657 -11.817 10.124 -24.005 489 HB3 HIS 657 2HB HIS 657 -13.082 9.419 -22.997 490 HD1 HIS 657 HD1 HIS 657 -15.073 10.967 -22.351 491 HD2 HIS 657 HD2 HIS 657 -12.134 12.844 -24.613 492 HE1 HIS 657 HE1 HIS 657 -16.039 13.173 -23.104 493 H VAL 658 H VAL 658 -9.673 11.022 -23.542 494 HA VAL 658 HA VAL 658 -9.353 13.772 -22.400 495 HB VAL 658 HB VAL 658 -7.325 12.814 -21.741 496 HG11 VAL 658 1HG1 VAL 658 -6.017 11.183 -23.079 497 HG12 VAL 658 2HG1 VAL 658 -7.617 10.587 -22.606 498 HG13 VAL 658 3HG1 VAL 658 -7.338 11.153 -24.264 499 HG21 VAL 658 1HG2 VAL 658 -6.950 14.764 -23.327 500 HG22 VAL 658 2HG2 VAL 658 -5.573 13.663 -23.168 501 HG23 VAL 658 3HG2 VAL 658 -6.610 13.574 -24.607 502 H MET 659 H MET 659 -9.651 15.350 -23.803 503 HA MET 659 HA MET 659 -9.965 14.654 -26.677 504 HB2 MET 659 1HB MET 659 -11.481 16.212 -24.949 505 HB3 MET 659 2HB MET 659 -10.508 17.423 -25.792 506 HG2 MET 659 1HG MET 659 -12.175 15.299 -27.159 507 HG3 MET 659 2HG MET 659 -12.734 16.944 -26.836 508 HE1 MET 659 1HE MET 659 -13.330 16.334 -29.369 509 HE2 MET 659 2HE MET 659 -12.354 17.081 -30.646 510 HE3 MET 659 3HE MET 659 -12.071 15.382 -30.205 511 H LEU 660 H LEU 660 -8.304 15.089 -28.010 512 HA LEU 660 HA LEU 660 -6.157 16.947 -27.038 513 HB2 LEU 660 1HB LEU 660 -6.109 14.774 -29.157 514 HB3 LEU 660 2HB LEU 660 -4.769 15.844 -28.776 515 HG LEU 660 HG LEU 660 -5.920 13.706 -26.954 516 HD11 LEU 660 1HD1 LEU 660 -3.726 12.668 -27.327 517 HD12 LEU 660 2HD1 LEU 660 -3.287 13.977 -28.446 518 HD13 LEU 660 3HD1 LEU 660 -4.620 12.867 -28.846 519 HD21 LEU 660 1HD2 LEU 660 -3.958 14.276 -25.499 520 HD22 LEU 660 2HD2 LEU 660 -5.127 15.599 -25.598 521 HD23 LEU 660 3HD2 LEU 660 -3.617 15.674 -26.538 522 H LYS 661 H LYS 661 -5.309 18.458 -28.478 523 HA LYS 661 HA LYS 661 -6.745 18.993 -31.020 524 HB2 LYS 661 1HB LYS 661 -6.907 20.620 -28.508 525 HB3 LYS 661 2HB LYS 661 -6.615 21.521 -30.005 526 HG2 LYS 661 1HG LYS 661 -8.599 20.671 -31.016 527 HG3 LYS 661 2HG LYS 661 -8.848 19.515 -29.702 528 HD2 LYS 661 1HD LYS 661 -9.405 21.294 -28.182 529 HD3 LYS 661 2HD LYS 661 -8.944 22.515 -29.401 530 HE2 LYS 661 1HE LYS 661 -11.349 22.258 -29.513 531 HE3 LYS 661 2HE LYS 661 -10.609 21.521 -30.959 532 HZ1 LYS 661 1HZ LYS 661 -11.489 19.989 -28.582 533 HZ2 LYS 661 2HZ LYS 661 -10.895 19.365 -29.987 534 HZ3 LYS 661 3HZ LYS 661 -12.359 20.125 -29.977 535 H SER 662 H SER 662 -5.492 21.009 -31.992 536 HA SER 662 HA SER 662 -3.500 21.787 -32.841 537 HB2 SER 662 1HB SER 662 -3.223 22.546 -30.427 538 HB3 SER 662 2HB SER 662 -2.221 21.108 -30.169 539 HG SER 662 HG SER 662 -1.726 23.085 -32.157 540 H LEU 663 H LEU 663 -4.133 19.454 -33.776 541 HA LEU 663 HA LEU 663 -1.550 18.044 -34.075 542 HB2 LEU 663 1HB LEU 663 -2.781 15.861 -34.008 543 HB3 LEU 663 2HB LEU 663 -2.653 16.673 -32.462 544 HG LEU 663 HG LEU 663 -5.090 17.512 -32.937 545 HD11 LEU 663 1HD1 LEU 663 -5.441 16.762 -35.183 546 HD12 LEU 663 2HD1 LEU 663 -6.400 15.702 -34.134 547 HD13 LEU 663 3HD1 LEU 663 -4.855 15.135 -34.803 548 HD21 LEU 663 1HD2 LEU 663 -4.341 15.999 -31.141 549 HD22 LEU 663 2HD2 LEU 663 -4.461 14.618 -32.259 550 HD23 LEU 663 3HD2 LEU 663 -5.920 15.526 -31.796 551 H ASP 664 H ASP 664 -1.597 16.850 -36.178 552 HA ASP 664 HA ASP 664 -2.890 18.514 -38.169 553 HB2 ASP 664 1HB ASP 664 -1.485 15.830 -38.494 554 HB3 ASP 664 2HB ASP 664 -1.959 16.916 -39.806 555 H TRP 665 H TRP 665 -4.662 17.942 -39.495 556 HA TRP 665 HA TRP 665 -6.123 15.480 -38.612 557 HB2 TRP 665 1HB TRP 665 -8.152 16.700 -39.517 558 HB3 TRP 665 2HB TRP 665 -7.439 17.339 -38.033 559 HD1 TRP 665 HD1 TRP 665 -6.127 19.703 -38.207 560 HE1 TRP 665 HE1 TRP 665 -6.273 21.652 -39.816 561 HE3 TRP 665 HE3 TRP 665 -8.567 17.285 -42.001 562 HZ2 TRP 665 HZ2 TRP 665 -7.292 22.120 -42.446 563 HZ3 TRP 665 HZ3 TRP 665 -9.099 18.568 -44.086 564 HH2 TRP 665 HH2 TRP 665 -8.461 20.964 -44.292 565 H ASN 666 H ASN 666 -4.896 17.324 -41.344 566 HA ASN 666 HA ASN 666 -6.118 15.429 -43.263 567 HB2 ASN 666 1HB ASN 666 -5.919 18.060 -43.468 568 HB3 ASN 666 2HB ASN 666 -4.275 17.698 -44.010 569 HD21 ASN 666 1HD2 ASN 666 -5.326 17.069 -47.230 570 HD22 ASN 666 2HD2 ASN 666 -4.086 17.597 -46.115 571 H ALA 667 H ALA 667 -3.760 14.953 -41.290 572 HA ALA 667 HA ALA 667 -2.087 13.463 -43.188 573 HB1 ALA 667 1HB ALA 667 0.010 14.413 -42.305 574 HB2 ALA 667 2HB ALA 667 -0.959 15.701 -43.051 575 HB3 ALA 667 3HB ALA 667 -0.896 15.542 -41.280 576 H GLU 668 H GLU 668 -0.590 12.064 -41.811 577 HA GLU 668 HA GLU 668 -2.247 10.944 -39.697 578 HB2 GLU 668 1HB GLU 668 0.260 9.608 -39.846 579 HB3 GLU 668 2HB GLU 668 -1.324 9.021 -40.320 580 HG2 GLU 668 1HG GLU 668 0.424 10.666 -42.205 581 HG3 GLU 668 2HG GLU 668 0.579 8.919 -42.031 582 H TYR 669 H TYR 669 -1.747 10.615 -37.589 583 HA TYR 669 HA TYR 669 0.746 11.798 -36.526 584 HB2 TYR 669 1HB TYR 669 -0.483 13.073 -34.838 585 HB3 TYR 669 2HB TYR 669 -0.884 13.608 -36.467 586 HD1 TYR 669 HD1 TYR 669 -3.082 13.188 -37.456 587 HD2 TYR 669 HD2 TYR 669 -2.172 12.052 -33.408 588 HE1 TYR 669 HE1 TYR 669 -5.494 12.992 -36.973 589 HE2 TYR 669 HE2 TYR 669 -4.600 11.857 -32.923 590 HH TYR 669 HH TYR 669 -7.060 12.631 -35.444 591 H GLU 670 H GLU 670 1.121 11.206 -34.282 592 HA GLU 670 HA GLU 670 -0.181 8.591 -33.609 593 HB2 GLU 670 1HB GLU 670 1.998 7.838 -32.791 594 HB3 GLU 670 2HB GLU 670 2.086 8.277 -34.502 595 HG2 GLU 670 1HG GLU 670 3.046 10.509 -33.814 596 HG3 GLU 670 2HG GLU 670 3.115 9.906 -32.150 597 H VAL 671 H VAL 671 -0.578 8.177 -31.446 598 HA VAL 671 HA VAL 671 -0.072 10.442 -29.541 599 HB VAL 671 HB VAL 671 -2.623 8.792 -29.822 600 HG11 VAL 671 1HG1 VAL 671 -3.549 10.387 -28.123 601 HG12 VAL 671 2HG1 VAL 671 -2.255 9.360 -27.489 602 HG13 VAL 671 3HG1 VAL 671 -1.916 11.055 -27.912 603 HG21 VAL 671 1HG2 VAL 671 -2.525 10.398 -31.644 604 HG22 VAL 671 2HG2 VAL 671 -3.725 10.940 -30.459 605 HG23 VAL 671 3HG2 VAL 671 -2.125 11.712 -30.517 606 H TYR 672 H TYR 672 0.778 9.779 -27.638 607 HA TYR 672 HA TYR 672 0.519 6.886 -26.865 608 HB2 TYR 672 1HB TYR 672 2.790 8.876 -26.546 609 HB3 TYR 672 2HB TYR 672 2.629 7.472 -25.484 610 HD1 TYR 672 HD1 TYR 672 3.445 5.355 -26.132 611 HD2 TYR 672 HD2 TYR 672 2.913 8.425 -29.087 612 HE1 TYR 672 HE1 TYR 672 4.509 3.885 -27.835 613 HE2 TYR 672 HE2 TYR 672 4.030 6.961 -30.795 614 HH TYR 672 HH TYR 672 5.160 3.660 -30.011 615 H VAL 673 H VAL 673 -0.201 6.510 -24.789 616 HA VAL 673 HA VAL 673 -0.532 8.855 -22.990 617 HB VAL 673 HB VAL 673 -2.659 8.800 -24.137 618 HG11 VAL 673 1HG1 VAL 673 -2.605 5.799 -23.703 619 HG12 VAL 673 2HG1 VAL 673 -4.083 6.685 -24.141 620 HG13 VAL 673 3HG1 VAL 673 -2.685 6.693 -25.233 621 HG21 VAL 673 1HG2 VAL 673 -4.220 8.424 -22.344 622 HG22 VAL 673 2HG2 VAL 673 -3.108 7.315 -21.522 623 HG23 VAL 673 3HG2 VAL 673 -2.713 9.039 -21.633 624 H VAL 674 H VAL 674 -0.268 8.377 -20.874 625 HA VAL 674 HA VAL 674 -0.159 5.509 -20.060 626 HB VAL 674 HB VAL 674 1.866 5.990 -18.647 627 HG11 VAL 674 1HG1 VAL 674 2.255 4.825 -20.673 628 HG12 VAL 674 2HG1 VAL 674 2.194 6.315 -21.648 629 HG13 VAL 674 3HG1 VAL 674 3.543 6.025 -20.517 630 HG21 VAL 674 1HG2 VAL 674 3.262 7.944 -19.107 631 HG22 VAL 674 2HG2 VAL 674 2.057 8.559 -20.262 632 HG23 VAL 674 3HG2 VAL 674 1.659 8.435 -18.533 633 H ALA 675 H ALA 675 -0.318 5.271 -17.728 634 HA ALA 675 HA ALA 675 -1.751 7.564 -16.433 635 HB1 ALA 675 1HB ALA 675 -3.101 5.953 -15.302 636 HB2 ALA 675 2HB ALA 675 -3.136 5.533 -17.022 637 HB3 ALA 675 3HB ALA 675 -2.127 4.593 -15.901 638 H GLU 676 H GLU 676 -1.230 7.961 -14.254 639 HA GLU 676 HA GLU 676 1.089 6.394 -13.170 640 HB2 GLU 676 1HB GLU 676 1.709 8.696 -13.971 641 HB3 GLU 676 2HB GLU 676 0.534 9.371 -12.840 642 HG2 GLU 676 1HG GLU 676 2.364 7.530 -11.516 643 HG3 GLU 676 2HG GLU 676 3.232 8.806 -12.385 644 H ASN 677 H ASN 677 0.438 5.312 -11.382 645 HA ASN 677 HA ASN 677 -1.813 6.546 -9.875 646 HB2 ASN 677 1HB ASN 677 -2.594 4.497 -9.163 647 HB3 ASN 677 2HB ASN 677 -2.139 4.175 -10.831 648 HD21 ASN 677 1HD2 ASN 677 -0.973 1.338 -8.848 649 HD22 ASN 677 2HD2 ASN 677 -2.491 2.080 -9.319 650 H GLN 678 H GLN 678 -1.553 5.762 -7.417 651 HA GLN 678 HA GLN 678 0.563 7.468 -6.595 652 HB2 GLN 678 1HB GLN 678 -1.700 7.157 -5.668 653 HB3 GLN 678 2HB GLN 678 -1.183 5.614 -4.948 654 HG2 GLN 678 1HG GLN 678 0.363 8.126 -4.309 655 HG3 GLN 678 2HG GLN 678 -1.227 7.902 -3.578 656 HE21 GLN 678 1HE2 GLN 678 1.739 6.336 -1.628 657 HE22 GLN 678 2HE2 GLN 678 1.750 7.755 -2.642 658 H GLN 679 H GLN 679 0.942 4.293 -7.565 659 HA GLN 679 HA GLN 679 3.323 3.970 -5.780 660 HB2 GLN 679 1HB GLN 679 1.115 2.221 -6.306 661 HB3 GLN 679 2HB GLN 679 2.576 1.501 -6.972 662 HG2 GLN 679 1HG GLN 679 2.382 0.680 -4.755 663 HG3 GLN 679 2HG GLN 679 3.707 1.844 -4.756 664 HE21 GLN 679 1HE2 GLN 679 0.361 3.590 -3.176 665 HE22 GLN 679 2HE2 GLN 679 0.397 3.008 -4.827 666 H GLY 680 H GLY 680 2.180 3.971 -9.136 667 HA2 GLY 680 1HA GLY 680 4.850 4.097 -10.153 668 HA3 GLY 680 2HA GLY 680 4.234 2.451 -10.308 669 H LYS 681 H LYS 681 4.473 2.834 -12.680 670 HA LYS 681 HA LYS 681 2.180 4.491 -13.712 671 HB2 LYS 681 1HB LYS 681 4.958 4.255 -14.885 672 HB3 LYS 681 2HB LYS 681 3.584 5.071 -15.651 673 HG2 LYS 681 1HG LYS 681 3.438 6.497 -13.544 674 HG3 LYS 681 2HG LYS 681 5.030 5.858 -13.116 675 HD2 LYS 681 1HD LYS 681 4.351 7.362 -15.672 676 HD3 LYS 681 2HD LYS 681 5.156 8.046 -14.244 677 HE2 LYS 681 1HE LYS 681 6.898 6.192 -14.530 678 HE3 LYS 681 2HE LYS 681 6.190 5.905 -16.130 679 HZ1 LYS 681 1HZ LYS 681 6.655 8.220 -16.677 680 HZ2 LYS 681 2HZ LYS 681 8.048 7.446 -16.245 681 HZ3 LYS 681 3HZ LYS 681 7.317 8.483 -15.189 682 H SER 682 H SER 682 1.449 4.030 -15.831 683 HA SER 682 HA SER 682 1.121 1.122 -16.094 684 HB2 SER 682 1HB SER 682 -0.779 1.620 -17.373 685 HB3 SER 682 2HB SER 682 -0.720 2.966 -16.243 686 HG SER 682 HG SER 682 0.059 2.928 -18.970 687 H LYS 683 H LYS 683 1.101 0.095 -18.231 688 HA LYS 683 HA LYS 683 3.439 0.696 -19.834 689 HB2 LYS 683 1HB LYS 683 1.155 -1.204 -19.824 690 HB3 LYS 683 2HB LYS 683 1.705 -0.727 -21.434 691 HG2 LYS 683 1HG LYS 683 3.966 -1.494 -20.932 692 HG3 LYS 683 2HG LYS 683 3.494 -1.884 -19.267 693 HD2 LYS 683 1HD LYS 683 3.543 -3.913 -20.646 694 HD3 LYS 683 2HD LYS 683 1.888 -3.570 -20.107 695 HE2 LYS 683 1HE LYS 683 1.341 -2.582 -22.275 696 HE3 LYS 683 2HE LYS 683 3.015 -2.794 -22.827 697 HZ1 LYS 683 1HZ LYS 683 1.576 -4.540 -23.664 698 HZ2 LYS 683 2HZ LYS 683 1.151 -4.993 -22.136 699 HZ3 LYS 683 3HZ LYS 683 2.706 -5.189 -22.653 700 H ALA 684 H ALA 684 3.418 1.704 -21.903 701 HA ALA 684 HA ALA 684 1.395 3.764 -22.223 702 HB1 ALA 684 1HB ALA 684 2.706 4.390 -24.204 703 HB2 ALA 684 2HB ALA 684 3.807 4.097 -22.839 704 HB3 ALA 684 3HB ALA 684 3.623 2.867 -24.117 705 H ALA 685 H ALA 685 -0.128 3.961 -23.792 706 HA ALA 685 HA ALA 685 -0.562 1.605 -25.595 707 HB1 ALA 685 1HB ALA 685 -2.684 3.469 -24.409 708 HB2 ALA 685 2HB ALA 685 -2.976 2.088 -25.487 709 HB3 ALA 685 3HB ALA 685 -2.385 1.813 -23.832 710 H HIS 686 H HIS 686 -0.780 2.289 -27.759 711 HA HIS 686 HA HIS 686 -0.821 5.192 -28.240 712 HB2 HIS 686 1HB HIS 686 1.081 5.040 -29.774 713 HB3 HIS 686 2HB HIS 686 1.507 4.624 -28.114 714 HD1 HIS 686 HD1 HIS 686 1.359 3.148 -31.548 715 HD2 HIS 686 HD2 HIS 686 2.149 1.933 -27.651 716 HE1 HIS 686 HE1 HIS 686 2.435 0.869 -31.702 717 H PHE 687 H PHE 687 -1.508 5.853 -30.261 718 HA PHE 687 HA PHE 687 -2.293 3.749 -32.165 719 HB2 PHE 687 1HB PHE 687 -4.571 4.212 -32.240 720 HB3 PHE 687 2HB PHE 687 -4.207 4.161 -30.513 721 HD1 PHE 687 HD1 PHE 687 -3.966 6.390 -29.238 722 HD2 PHE 687 HD2 PHE 687 -5.499 6.134 -33.253 723 HE1 PHE 687 HE1 PHE 687 -5.049 8.641 -28.976 724 HE2 PHE 687 HE2 PHE 687 -6.574 8.342 -32.988 725 HZ PHE 687 HZ PHE 687 -6.361 9.611 -30.862 726 H VAL 688 H VAL 688 -2.881 4.626 -34.261 727 HA VAL 688 HA VAL 688 -1.647 7.305 -34.757 728 HB VAL 688 HB VAL 688 -1.533 4.786 -36.506 729 HG11 VAL 688 1HG1 VAL 688 -0.299 7.546 -36.956 730 HG12 VAL 688 2HG1 VAL 688 -0.019 6.111 -37.967 731 HG13 VAL 688 3HG1 VAL 688 -1.637 6.830 -37.887 732 HG21 VAL 688 1HG2 VAL 688 0.003 4.590 -34.604 733 HG22 VAL 688 2HG2 VAL 688 0.931 4.886 -36.085 734 HG23 VAL 688 3HG2 VAL 688 0.660 6.211 -34.929 735 H PHE 689 H PHE 689 -2.862 8.634 -36.148 736 HA PHE 689 HA PHE 689 -5.326 7.478 -37.335 737 HB2 PHE 689 1HB PHE 689 -5.568 8.248 -34.849 738 HB3 PHE 689 2HB PHE 689 -5.522 9.873 -35.516 739 HD1 PHE 689 HD1 PHE 689 -7.400 10.736 -36.852 740 HD2 PHE 689 HD2 PHE 689 -7.425 6.725 -35.291 741 HE1 PHE 689 HE1 PHE 689 -9.837 10.574 -37.322 742 HE2 PHE 689 HE2 PHE 689 -9.867 6.559 -35.743 743 HZ PHE 689 HZ PHE 689 -11.079 8.487 -36.750 744 H ARG 690 H ARG 690 -6.461 8.988 -38.722 745 HA ARG 690 HA ARG 690 -5.431 11.635 -39.322 746 HB2 ARG 690 1HB ARG 690 -5.353 10.759 -41.892 747 HB3 ARG 690 2HB ARG 690 -3.944 11.041 -40.907 748 HG2 ARG 690 1HG ARG 690 -3.300 9.021 -41.558 749 HG3 ARG 690 2HG ARG 690 -4.365 8.382 -40.349 750 HD2 ARG 690 1HD ARG 690 -5.423 7.294 -42.008 751 HD3 ARG 690 2HD ARG 690 -5.993 8.872 -42.608 752 HE ARG 690 HE ARG 690 -3.282 8.490 -43.425 753 HH11 ARG 690 1HH1 ARG 690 -6.471 7.167 -44.218 754 HH12 ARG 690 2HH1 ARG 690 -5.980 6.755 -45.841 755 HH21 ARG 690 1HH2 ARG 690 -2.736 7.912 -45.421 756 HH22 ARG 690 2HH2 ARG 690 -3.883 7.166 -46.516 757 H THR 691 H THR 691 -7.023 12.638 -40.874 758 HA THR 691 HA THR 691 -9.440 10.993 -41.364 759 HB THR 691 HB THR 691 -9.744 12.001 -39.066 760 HG1 THR 691 HG1 THR 691 -11.814 12.737 -39.528 761 HG21 THR 691 1HG2 THR 691 -10.208 14.416 -38.887 762 HG22 THR 691 2HG2 THR 691 -9.682 14.646 -40.569 763 HG23 THR 691 3HG2 THR 691 -8.520 14.099 -39.338 764 H HIS 692 H HIS 692 -11.087 12.829 -42.413 765 HA HIS 692 HA HIS 692 -11.503 13.991 -44.343 766 HB2 HIS 692 1HB HIS 692 -10.167 15.657 -42.838 767 HB3 HIS 692 2HB HIS 692 -8.877 15.435 -44.023 768 HD1 HIS 692 HD1 HIS 692 -12.349 16.902 -43.655 769 HD2 HIS 692 HD2 HIS 692 -9.312 16.643 -46.486 770 HE1 HIS 692 HE1 HIS 692 -12.934 18.528 -45.498 771 H HIS 693 H HIS 693 -9.861 11.491 -44.518 772 HA HIS 693 HA HIS 693 -7.941 11.888 -46.627 773 HB2 HIS 693 1HB HIS 693 -7.957 9.996 -44.968 774 HB3 HIS 693 2HB HIS 693 -9.365 9.331 -45.810 775 HD1 HIS 693 HD1 HIS 693 -5.897 10.559 -46.969 776 HD2 HIS 693 HD2 HIS 693 -8.553 7.399 -47.485 777 HE1 HIS 693 HE1 HIS 693 -4.811 8.955 -48.588 778 H HIS 694 H HIS 694 -8.402 12.388 -48.653 779 HA HIS 694 HA HIS 694 -10.690 11.144 -50.045 780 HB2 HIS 694 1HB HIS 694 -11.644 13.193 -49.042 781 HB3 HIS 694 2HB HIS 694 -10.299 14.148 -49.680 782 HD1 HIS 694 HD1 HIS 694 -13.062 11.909 -51.161 783 HD2 HIS 694 HD2 HIS 694 -10.881 15.350 -51.994 784 HE1 HIS 694 HE1 HIS 694 -13.941 12.817 -53.350 785 H HIS 695 H HIS 695 -10.394 11.269 -52.349 786 HA HIS 695 HA HIS 695 -7.971 12.566 -53.373 787 HB2 HIS 695 1HB HIS 695 -7.313 10.233 -52.545 788 HB3 HIS 695 2HB HIS 695 -8.399 9.581 -53.778 789 HD1 HIS 695 HD1 HIS 695 -5.542 12.171 -53.789 790 HD2 HIS 695 HD2 HIS 695 -7.003 8.954 -55.984 791 HE1 HIS 695 HE1 HIS 695 -4.008 11.893 -55.778 792 H HIS 696 H HIS 696 -7.986 12.303 -55.817 793 HA HIS 696 HA HIS 696 -10.800 12.622 -56.723 794 HB2 HIS 696 1HB HIS 696 -9.704 13.825 -58.627 795 HB3 HIS 696 2HB HIS 696 -9.377 14.543 -57.045 796 HD1 HIS 696 HD1 HIS 696 -7.605 12.026 -59.356 797 HD2 HIS 696 HD2 HIS 696 -6.782 15.098 -56.678 798 HE1 HIS 696 HE1 HIS 696 -5.097 12.306 -59.325 799 H HIS 697 H HIS 697 -9.176 10.013 -56.400 800 HA HIS 697 HA HIS 697 -10.062 8.781 -58.895 801 HB2 HIS 697 1HB HIS 697 -7.642 9.681 -59.279 802 HB3 HIS 697 2HB HIS 697 -7.147 8.489 -58.073 803 HD1 HIS 697 HD1 HIS 697 -8.977 6.117 -59.029 804 HD2 HIS 697 HD2 HIS 697 -6.672 8.501 -61.528 805 HE1 HIS 697 HE1 HIS 697 -8.551 4.769 -61.114 Start of MODEL 11 1 H1 MET 595 1H MET 595 3.605 0.277 -0.025 2 H2 MET 595 2H MET 595 3.077 1.645 -0.780 3 H3 MET 595 3H MET 595 2.182 0.265 -0.861 4 HA MET 595 HA MET 595 3.326 0.700 -2.902 5 HB2 MET 595 1HB MET 595 5.676 0.702 -3.111 6 HB3 MET 595 2HB MET 595 5.237 1.866 -1.867 7 HG2 MET 595 1HG MET 595 6.446 -0.885 -1.408 8 HG3 MET 595 2HG MET 595 7.271 0.668 -1.265 9 HE1 MET 595 1HE MET 595 7.631 -1.258 1.097 10 HE2 MET 595 2HE MET 595 8.160 0.440 1.185 11 HE3 MET 595 3HE MET 595 7.198 -0.265 2.506 12 H GLN 596 H GLN 596 4.456 -1.756 -0.450 13 HA GLN 596 HA GLN 596 4.849 -3.762 -2.387 14 HB2 GLN 596 1HB GLN 596 4.146 -3.921 0.547 15 HB3 GLN 596 2HB GLN 596 4.588 -5.330 -0.422 16 HG2 GLN 596 1HG GLN 596 6.800 -4.655 -0.660 17 HG3 GLN 596 2HG GLN 596 6.429 -2.951 -0.367 18 HE21 GLN 596 1HE2 GLN 596 7.681 -5.186 2.662 19 HE22 GLN 596 2HE2 GLN 596 7.802 -5.648 0.981 20 HA PRO 597 HA PRO 597 0.713 -5.692 -1.801 21 HB2 PRO 597 1HB PRO 597 -1.465 -4.552 -0.711 22 HB3 PRO 597 2HB PRO 597 -0.143 -5.189 0.319 23 HG2 PRO 597 1HG PRO 597 -0.646 -2.372 -0.591 24 HG3 PRO 597 2HG PRO 597 -0.367 -2.987 1.069 25 HD2 PRO 597 1HD PRO 597 1.625 -1.923 -0.475 26 HD3 PRO 597 2HD PRO 597 1.922 -3.230 0.723 27 H VAL 598 H VAL 598 1.270 -2.887 -3.448 28 HA VAL 598 HA VAL 598 -1.227 -3.181 -5.040 29 HB VAL 598 HB VAL 598 -1.851 -1.209 -4.087 30 HG11 VAL 598 1HG1 VAL 598 -0.168 -1.077 -2.392 31 HG12 VAL 598 2HG1 VAL 598 1.065 -0.568 -3.574 32 HG13 VAL 598 3HG1 VAL 598 -0.289 0.509 -3.157 33 HG21 VAL 598 1HG2 VAL 598 -1.445 -0.630 -6.462 34 HG22 VAL 598 2HG2 VAL 598 -1.234 0.763 -5.394 35 HG23 VAL 598 3HG2 VAL 598 0.185 -0.072 -6.046 36 H ARG 599 H ARG 599 -0.989 -3.369 -7.132 37 HA ARG 599 HA ARG 599 1.729 -3.236 -8.283 38 HB2 ARG 599 1HB ARG 599 0.707 -4.321 -10.231 39 HB3 ARG 599 2HB ARG 599 0.316 -5.206 -8.754 40 HG2 ARG 599 1HG ARG 599 -1.945 -4.467 -8.768 41 HG3 ARG 599 2HG ARG 599 -1.608 -3.176 -9.933 42 HD2 ARG 599 1HD ARG 599 -1.142 -4.835 -11.680 43 HD3 ARG 599 2HD ARG 599 -1.473 -6.149 -10.536 44 HE ARG 599 HE ARG 599 -3.442 -4.277 -11.749 45 HH11 ARG 599 1HH1 ARG 599 -2.923 -7.028 -9.576 46 HH12 ARG 599 2HH1 ARG 599 -4.621 -7.418 -9.535 47 HH21 ARG 599 1HH2 ARG 599 -5.560 -4.823 -11.627 48 HH22 ARG 599 2HH2 ARG 599 -6.087 -6.208 -10.693 49 H GLU 600 H GLU 600 1.976 -2.315 -10.487 50 HA GLU 600 HA GLU 600 1.091 0.428 -10.605 51 HB2 GLU 600 1HB GLU 600 2.491 -1.418 -12.584 52 HB3 GLU 600 2HB GLU 600 2.142 0.280 -12.919 53 HG2 GLU 600 1HG GLU 600 3.443 0.882 -10.866 54 HG3 GLU 600 2HG GLU 600 3.951 -0.812 -10.760 55 HA PRO 601 HA PRO 601 -2.661 -0.175 -12.797 56 HB2 PRO 601 1HB PRO 601 -2.823 1.978 -14.485 57 HB3 PRO 601 2HB PRO 601 -2.997 2.104 -12.716 58 HG2 PRO 601 1HG PRO 601 -0.598 2.602 -14.395 59 HG3 PRO 601 2HG PRO 601 -1.292 3.617 -13.112 60 HD2 PRO 601 1HD PRO 601 0.819 1.988 -12.709 61 HD3 PRO 601 2HD PRO 601 -0.420 2.263 -11.442 62 H SER 602 H SER 602 -3.690 -0.725 -14.718 63 HA SER 602 HA SER 602 -2.022 -2.052 -16.691 64 HB2 SER 602 1HB SER 602 -4.225 -2.943 -15.839 65 HB3 SER 602 2HB SER 602 -5.031 -1.618 -16.704 66 HG SER 602 HG SER 602 -5.001 -3.405 -18.032 67 H ALA 603 H ALA 603 -2.151 -1.619 -18.984 68 HA ALA 603 HA ALA 603 -1.668 1.040 -19.698 69 HB1 ALA 603 1HB ALA 603 -1.788 0.250 -22.017 70 HB2 ALA 603 2HB ALA 603 -1.016 -1.000 -21.022 71 HB3 ALA 603 3HB ALA 603 -2.716 -1.183 -21.517 72 HA PRO 604 HA PRO 604 -5.633 2.838 -19.899 73 HB2 PRO 604 1HB PRO 604 -5.351 4.808 -21.782 74 HB3 PRO 604 2HB PRO 604 -4.558 4.881 -20.174 75 HG2 PRO 604 1HG PRO 604 -3.463 3.940 -22.768 76 HG3 PRO 604 2HG PRO 604 -2.791 5.122 -21.611 77 HD2 PRO 604 1HD PRO 604 -1.952 2.586 -21.649 78 HD3 PRO 604 2HD PRO 604 -2.167 3.470 -20.097 79 H LYS 605 H LYS 605 -7.499 3.330 -21.210 80 HA LYS 605 HA LYS 605 -7.853 1.138 -23.182 81 HB2 LYS 605 1HB LYS 605 -9.849 3.000 -21.815 82 HB3 LYS 605 2HB LYS 605 -10.266 1.691 -22.922 83 HG2 LYS 605 1HG LYS 605 -10.599 0.598 -20.919 84 HG3 LYS 605 2HG LYS 605 -8.899 0.193 -21.195 85 HD2 LYS 605 1HD LYS 605 -8.904 2.679 -19.799 86 HD3 LYS 605 2HD LYS 605 -10.118 1.675 -18.997 87 HE2 LYS 605 1HE LYS 605 -7.342 0.595 -19.631 88 HE3 LYS 605 2HE LYS 605 -7.641 1.556 -18.181 89 HZ1 LYS 605 1HZ LYS 605 -7.905 -0.593 -17.464 90 HZ2 LYS 605 2HZ LYS 605 -8.714 -1.093 -18.824 91 HZ3 LYS 605 3HZ LYS 605 -9.470 -0.129 -17.718 92 H LEU 606 H LEU 606 -8.653 1.557 -25.330 93 HA LEU 606 HA LEU 606 -8.675 4.408 -26.133 94 HB2 LEU 606 1HB LEU 606 -6.358 3.539 -26.396 95 HB3 LEU 606 2HB LEU 606 -6.954 2.271 -27.449 96 HG LEU 606 HG LEU 606 -5.773 4.315 -28.462 97 HD11 LEU 606 1HD1 LEU 606 -8.438 3.423 -29.619 98 HD12 LEU 606 2HD1 LEU 606 -6.866 2.639 -29.845 99 HD13 LEU 606 3HD1 LEU 606 -7.149 4.262 -30.504 100 HD21 LEU 606 1HD2 LEU 606 -7.179 6.229 -29.030 101 HD22 LEU 606 2HD2 LEU 606 -7.029 6.048 -27.272 102 HD23 LEU 606 3HD2 LEU 606 -8.522 5.558 -28.095 103 H GLU 607 H GLU 607 -10.549 4.683 -27.101 104 HA GLU 607 HA GLU 607 -11.697 2.401 -28.634 105 HB2 GLU 607 1HB GLU 607 -13.212 4.852 -27.751 106 HB3 GLU 607 2HB GLU 607 -13.841 3.267 -28.213 107 HG2 GLU 607 1HG GLU 607 -12.406 4.057 -25.668 108 HG3 GLU 607 2HG GLU 607 -14.068 3.493 -25.827 109 H GLY 608 H GLY 608 -10.011 5.233 -29.089 110 HA2 GLY 608 1HA GLY 608 -9.559 6.533 -30.930 111 HA3 GLY 608 2HA GLY 608 -9.994 5.090 -31.847 112 H GLN 609 H GLN 609 -11.885 7.576 -30.011 113 HA GLN 609 HA GLN 609 -13.963 7.363 -32.068 114 HB2 GLN 609 1HB GLN 609 -13.702 9.025 -29.557 115 HB3 GLN 609 2HB GLN 609 -15.141 8.998 -30.585 116 HG2 GLN 609 1HG GLN 609 -13.963 6.563 -29.183 117 HG3 GLN 609 2HG GLN 609 -15.320 7.521 -28.567 118 HE21 GLN 609 1HE2 GLN 609 -15.931 4.593 -31.211 119 HE22 GLN 609 2HE2 GLN 609 -14.397 4.880 -30.416 120 H MET 610 H MET 610 -13.739 8.369 -33.877 121 HA MET 610 HA MET 610 -11.740 10.186 -34.504 122 HB2 MET 610 1HB MET 610 -12.925 10.544 -36.591 123 HB3 MET 610 2HB MET 610 -12.942 8.837 -36.149 124 HG2 MET 610 1HG MET 610 -15.282 10.694 -35.614 125 HG3 MET 610 2HG MET 610 -15.089 9.805 -37.124 126 HE1 MET 610 1HE MET 610 -17.607 8.922 -36.620 127 HE2 MET 610 2HE MET 610 -18.033 7.982 -35.169 128 HE3 MET 610 3HE MET 610 -17.627 9.709 -35.025 129 H GLY 611 H GLY 611 -11.501 12.308 -34.830 130 HA2 GLY 611 1HA GLY 611 -13.402 14.055 -33.405 131 HA3 GLY 611 2HA GLY 611 -11.780 14.474 -33.952 132 H GLU 612 H GLU 612 -15.092 13.832 -35.029 133 HA GLU 612 HA GLU 612 -14.744 14.774 -37.744 134 HB2 GLU 612 1HB GLU 612 -17.165 14.614 -35.913 135 HB3 GLU 612 2HB GLU 612 -17.251 14.989 -37.639 136 HG2 GLU 612 1HG GLU 612 -16.778 12.829 -38.284 137 HG3 GLU 612 2HG GLU 612 -15.831 12.484 -36.832 138 H ASP 613 H ASP 613 -14.869 16.178 -34.667 139 HA ASP 613 HA ASP 613 -15.850 18.798 -35.097 140 HB2 ASP 613 1HB ASP 613 -13.488 18.125 -33.334 141 HB3 ASP 613 2HB ASP 613 -14.791 19.257 -33.007 142 H GLY 614 H GLY 614 -12.907 17.197 -36.037 143 HA2 GLY 614 1HA GLY 614 -11.276 17.946 -37.505 144 HA3 GLY 614 2HA GLY 614 -11.969 19.574 -37.464 145 H ASN 615 H ASN 615 -9.176 18.603 -37.252 146 HA ASN 615 HA ASN 615 -7.254 19.072 -36.132 147 HB2 ASN 615 1HB ASN 615 -8.691 21.354 -36.370 148 HB3 ASN 615 2HB ASN 615 -8.493 21.325 -34.614 149 HD21 ASN 615 1HD2 ASN 615 -4.874 21.541 -34.898 150 HD22 ASN 615 2HD2 ASN 615 -6.105 20.620 -34.044 151 H SER 616 H SER 616 -9.346 17.339 -34.650 152 HA SER 616 HA SER 616 -7.947 17.234 -32.073 153 HB2 SER 616 1HB SER 616 -10.097 17.493 -30.822 154 HB3 SER 616 2HB SER 616 -9.622 18.974 -31.677 155 HG SER 616 HG SER 616 -11.125 18.583 -33.236 156 H ILE 617 H ILE 617 -8.989 15.427 -30.674 157 HA ILE 617 HA ILE 617 -10.727 13.504 -32.007 158 HB ILE 617 HB ILE 617 -8.523 12.969 -33.049 159 HG12 ILE 617 1HG1 ILE 617 -9.199 10.622 -31.303 160 HG13 ILE 617 2HG1 ILE 617 -10.461 11.303 -32.324 161 HG21 ILE 617 1HG2 ILE 617 -7.049 13.545 -31.109 162 HG22 ILE 617 2HG2 ILE 617 -7.650 12.113 -30.243 163 HG23 ILE 617 3HG2 ILE 617 -6.720 11.926 -31.745 164 HD11 ILE 617 1HD1 ILE 617 -9.299 9.405 -33.362 165 HD12 ILE 617 2HD1 ILE 617 -9.188 10.903 -34.311 166 HD13 ILE 617 3HD1 ILE 617 -7.794 10.353 -33.355 167 H LYS 618 H LYS 618 -11.422 11.778 -30.549 168 HA LYS 618 HA LYS 618 -10.924 12.489 -27.683 169 HB2 LYS 618 1HB LYS 618 -13.147 10.790 -28.838 170 HB3 LYS 618 2HB LYS 618 -13.034 11.420 -27.208 171 HG2 LYS 618 1HG LYS 618 -14.543 12.904 -28.028 172 HG3 LYS 618 2HG LYS 618 -13.085 13.763 -28.542 173 HD2 LYS 618 1HD LYS 618 -13.389 13.183 -30.803 174 HD3 LYS 618 2HD LYS 618 -14.307 11.714 -30.413 175 HE2 LYS 618 1HE LYS 618 -16.251 13.047 -29.760 176 HE3 LYS 618 2HE LYS 618 -15.348 14.555 -29.999 177 HZ1 LYS 618 1HZ LYS 618 -16.904 13.708 -31.858 178 HZ2 LYS 618 2HZ LYS 618 -15.661 12.695 -32.261 179 HZ3 LYS 618 3HZ LYS 618 -15.439 14.336 -32.271 180 H VAL 619 H VAL 619 -9.952 11.018 -26.355 181 HA VAL 619 HA VAL 619 -9.746 8.189 -27.299 182 HB VAL 619 HB VAL 619 -7.513 8.376 -27.664 183 HG11 VAL 619 1HG1 VAL 619 -6.217 10.479 -27.271 184 HG12 VAL 619 2HG1 VAL 619 -7.715 10.739 -28.181 185 HG13 VAL 619 3HG1 VAL 619 -7.630 11.177 -26.459 186 HG21 VAL 619 1HG2 VAL 619 -7.286 7.492 -25.394 187 HG22 VAL 619 2HG2 VAL 619 -5.948 8.594 -25.766 188 HG23 VAL 619 3HG2 VAL 619 -7.280 9.137 -24.724 189 H ASN 620 H ASN 620 -9.611 6.682 -25.446 190 HA ASN 620 HA ASN 620 -11.218 7.802 -23.260 191 HB2 ASN 620 1HB ASN 620 -10.829 5.165 -24.480 192 HB3 ASN 620 2HB ASN 620 -10.916 5.126 -22.716 193 HD21 ASN 620 1HD2 ASN 620 -14.152 6.481 -24.831 194 HD22 ASN 620 2HD2 ASN 620 -12.551 6.604 -25.515 195 H LEU 621 H LEU 621 -10.939 7.434 -21.099 196 HA LEU 621 HA LEU 621 -8.145 6.938 -20.257 197 HB2 LEU 621 1HB LEU 621 -9.522 9.375 -20.208 198 HB3 LEU 621 2HB LEU 621 -9.508 8.805 -18.540 199 HG LEU 621 HG LEU 621 -7.108 8.697 -18.544 200 HD11 LEU 621 1HD1 LEU 621 -6.433 8.020 -20.718 201 HD12 LEU 621 2HD1 LEU 621 -5.801 9.662 -20.509 202 HD13 LEU 621 3HD1 LEU 621 -7.260 9.385 -21.486 203 HD21 LEU 621 1HD2 LEU 621 -8.217 11.255 -19.808 204 HD22 LEU 621 2HD2 LEU 621 -6.682 11.150 -18.920 205 HD23 LEU 621 3HD2 LEU 621 -8.213 10.848 -18.079 206 H ILE 622 H ILE 622 -7.832 6.187 -18.164 207 HA ILE 622 HA ILE 622 -9.298 3.956 -17.429 208 HB ILE 622 HB ILE 622 -7.426 5.823 -15.990 209 HG12 ILE 622 1HG1 ILE 622 -6.117 3.672 -15.711 210 HG13 ILE 622 2HG1 ILE 622 -7.315 2.916 -16.754 211 HG21 ILE 622 1HG2 ILE 622 -8.906 3.605 -14.613 212 HG22 ILE 622 2HG2 ILE 622 -7.403 4.277 -14.006 213 HG23 ILE 622 3HG2 ILE 622 -8.831 5.311 -14.139 214 HD11 ILE 622 1HD1 ILE 622 -5.644 5.299 -17.565 215 HD12 ILE 622 2HD1 ILE 622 -5.198 3.608 -17.869 216 HD13 ILE 622 3HD1 ILE 622 -6.668 4.284 -18.605 217 H LYS 623 H LYS 623 -11.206 3.575 -16.526 218 HA LYS 623 HA LYS 623 -12.444 5.693 -14.826 219 HB2 LYS 623 1HB LYS 623 -14.646 4.906 -15.625 220 HB3 LYS 623 2HB LYS 623 -13.644 5.602 -16.886 221 HG2 LYS 623 1HG LYS 623 -13.415 2.654 -16.663 222 HG3 LYS 623 2HG LYS 623 -15.028 3.253 -17.104 223 HD2 LYS 623 1HD LYS 623 -12.549 4.188 -18.557 224 HD3 LYS 623 2HD LYS 623 -13.442 2.732 -19.035 225 HE2 LYS 623 1HE LYS 623 -14.997 3.972 -20.076 226 HE3 LYS 623 2HE LYS 623 -15.338 4.818 -18.559 227 HZ1 LYS 623 1HZ LYS 623 -13.160 6.114 -19.316 228 HZ2 LYS 623 2HZ LYS 623 -14.665 6.568 -19.814 229 HZ3 LYS 623 3HZ LYS 623 -13.697 5.671 -20.814 230 H GLN 624 H GLN 624 -10.816 3.087 -14.315 231 HA GLN 624 HA GLN 624 -12.526 2.142 -12.098 232 HB2 GLN 624 1HB GLN 624 -12.414 -0.162 -12.718 233 HB3 GLN 624 2HB GLN 624 -13.022 0.698 -14.130 234 HG2 GLN 624 1HG GLN 624 -10.128 -0.233 -13.772 235 HG3 GLN 624 2HG GLN 624 -11.364 -1.116 -14.665 236 HE21 GLN 624 1HE2 GLN 624 -9.331 1.918 -16.396 237 HE22 GLN 624 2HE2 GLN 624 -9.083 1.476 -14.727 238 H ASP 625 H ASP 625 -11.140 0.780 -10.537 239 HA ASP 625 HA ASP 625 -8.378 1.792 -10.576 240 HB2 ASP 625 1HB ASP 625 -9.735 1.465 -8.447 241 HB3 ASP 625 2HB ASP 625 -9.531 -0.279 -8.679 242 H ASP 626 H ASP 626 -6.955 0.876 -11.877 243 HA ASP 626 HA ASP 626 -7.413 -1.732 -13.075 244 HB2 ASP 626 1HB ASP 626 -5.086 0.196 -13.127 245 HB3 ASP 626 2HB ASP 626 -5.200 -1.271 -14.121 246 H GLY 627 H GLY 627 -6.106 -0.768 -10.115 247 HA2 GLY 627 1HA GLY 627 -4.620 -3.303 -9.922 248 HA3 GLY 627 2HA GLY 627 -3.683 -1.823 -9.758 249 H GLY 628 H GLY 628 -3.207 -1.391 -7.851 250 HA2 GLY 628 1HA GLY 628 -4.964 -2.396 -5.652 251 HA3 GLY 628 2HA GLY 628 -3.235 -2.132 -5.525 252 H SER 629 H SER 629 -4.325 0.544 -7.124 253 HA SER 629 HA SER 629 -5.427 2.023 -4.875 254 HB2 SER 629 1HB SER 629 -2.590 2.610 -5.838 255 HB3 SER 629 2HB SER 629 -3.555 3.681 -4.806 256 HG SER 629 HG SER 629 -3.522 1.187 -3.779 257 HA PRO 630 HA PRO 630 -6.874 3.949 -8.502 258 HB2 PRO 630 1HB PRO 630 -7.603 6.457 -7.660 259 HB3 PRO 630 2HB PRO 630 -8.512 4.975 -7.218 260 HG2 PRO 630 1HG PRO 630 -6.377 6.405 -5.653 261 HG3 PRO 630 2HG PRO 630 -8.026 5.922 -5.132 262 HD2 PRO 630 1HD PRO 630 -5.919 4.383 -4.548 263 HD3 PRO 630 2HD PRO 630 -7.460 3.630 -5.094 264 H ILE 631 H ILE 631 -6.541 5.586 -10.027 265 HA ILE 631 HA ILE 631 -3.785 6.218 -10.457 266 HB ILE 631 HB ILE 631 -6.409 6.651 -11.876 267 HG12 ILE 631 1HG1 ILE 631 -5.088 5.659 -13.768 268 HG13 ILE 631 2HG1 ILE 631 -3.684 5.557 -12.707 269 HG21 ILE 631 1HG2 ILE 631 -5.278 7.963 -13.659 270 HG22 ILE 631 2HG2 ILE 631 -5.394 8.862 -12.152 271 HG23 ILE 631 3HG2 ILE 631 -3.852 8.123 -12.643 272 HD11 ILE 631 1HD1 ILE 631 -4.689 3.823 -11.375 273 HD12 ILE 631 2HD1 ILE 631 -6.297 4.108 -12.082 274 HD13 ILE 631 3HD1 ILE 631 -5.010 3.391 -13.071 275 H ARG 632 H ARG 632 -2.760 8.228 -10.480 276 HA ARG 632 HA ARG 632 -3.935 10.285 -8.659 277 HB2 ARG 632 1HB ARG 632 -1.172 9.583 -9.685 278 HB3 ARG 632 2HB ARG 632 -1.521 11.240 -9.208 279 HG2 ARG 632 1HG ARG 632 -1.964 10.585 -6.918 280 HG3 ARG 632 2HG ARG 632 -1.814 8.841 -7.296 281 HD2 ARG 632 1HD ARG 632 0.272 9.799 -6.296 282 HD3 ARG 632 2HD ARG 632 0.502 9.120 -7.910 283 HE ARG 632 HE ARG 632 0.916 11.208 -8.824 284 HH11 ARG 632 1HH1 ARG 632 0.164 11.565 -5.373 285 HH12 ARG 632 2HH1 ARG 632 0.782 13.192 -5.322 286 HH21 ARG 632 1HH2 ARG 632 1.660 13.257 -8.668 287 HH22 ARG 632 2HH2 ARG 632 1.634 14.130 -7.158 288 H HIS 633 H HIS 633 -2.164 9.994 -11.788 289 HA HIS 633 HA HIS 633 -3.813 12.199 -12.928 290 HB2 HIS 633 1HB HIS 633 -0.781 12.126 -13.123 291 HB3 HIS 633 2HB HIS 633 -1.867 13.395 -13.705 292 HD1 HIS 633 HD1 HIS 633 -3.386 14.436 -11.472 293 HD2 HIS 633 HD2 HIS 633 0.413 12.865 -10.859 294 HE1 HIS 633 HE1 HIS 633 -2.563 15.374 -9.279 295 H TYR 634 H TYR 634 -3.197 12.541 -15.288 296 HA TYR 634 HA TYR 634 -2.342 9.993 -16.614 297 HB2 TYR 634 1HB TYR 634 -4.421 12.001 -17.548 298 HB3 TYR 634 2HB TYR 634 -3.864 10.582 -18.453 299 HD1 TYR 634 HD1 TYR 634 -6.237 11.810 -16.054 300 HD2 TYR 634 HD2 TYR 634 -4.160 8.272 -17.339 301 HE1 TYR 634 HE1 TYR 634 -7.937 10.388 -14.927 302 HE2 TYR 634 HE2 TYR 634 -5.830 6.887 -16.158 303 HH TYR 634 HH TYR 634 -7.962 6.935 -14.992 304 H LEU 635 H LEU 635 -1.009 10.222 -18.377 305 HA LEU 635 HA LEU 635 -0.128 13.011 -19.017 306 HB2 LEU 635 1HB LEU 635 1.627 10.562 -18.690 307 HB3 LEU 635 2HB LEU 635 2.184 12.158 -19.168 308 HG LEU 635 HG LEU 635 0.890 11.577 -16.477 309 HD11 LEU 635 1HD1 LEU 635 3.859 11.672 -17.118 310 HD12 LEU 635 2HD1 LEU 635 2.920 10.198 -16.757 311 HD13 LEU 635 3HD1 LEU 635 3.114 11.449 -15.511 312 HD21 LEU 635 1HD2 LEU 635 2.628 13.879 -17.453 313 HD22 LEU 635 2HD2 LEU 635 2.010 13.667 -15.796 314 HD23 LEU 635 3HD2 LEU 635 0.878 13.942 -17.134 315 H VAL 636 H VAL 636 -0.303 13.410 -21.159 316 HA VAL 636 HA VAL 636 -0.311 11.054 -23.025 317 HB VAL 636 HB VAL 636 -1.750 13.670 -23.593 318 HG11 VAL 636 1HG1 VAL 636 -3.085 12.158 -25.105 319 HG12 VAL 636 2HG1 VAL 636 -1.377 12.325 -25.551 320 HG13 VAL 636 3HG1 VAL 636 -1.944 10.859 -24.721 321 HG21 VAL 636 1HG2 VAL 636 -3.881 12.489 -22.917 322 HG22 VAL 636 2HG2 VAL 636 -2.885 11.207 -22.195 323 HG23 VAL 636 3HG2 VAL 636 -2.813 12.865 -21.555 324 H ARG 637 H ARG 637 0.916 11.183 -24.885 325 HA ARG 637 HA ARG 637 2.466 13.718 -25.351 326 HB2 ARG 637 1HB ARG 637 3.681 11.748 -24.116 327 HB3 ARG 637 2HB ARG 637 3.603 10.918 -25.671 328 HG2 ARG 637 1HG ARG 637 4.798 12.974 -26.634 329 HG3 ARG 637 2HG ARG 637 5.063 13.465 -24.960 330 HD2 ARG 637 1HD ARG 637 7.031 12.323 -25.585 331 HD3 ARG 637 2HD ARG 637 6.120 11.170 -24.591 332 HE ARG 637 HE ARG 637 5.431 10.793 -27.336 333 HH11 ARG 637 1HH1 ARG 637 8.194 10.258 -25.207 334 HH12 ARG 637 2HH1 ARG 637 8.800 8.943 -26.176 335 HH21 ARG 637 1HH2 ARG 637 6.268 9.119 -28.525 336 HH22 ARG 637 2HH2 ARG 637 7.720 8.303 -28.013 337 H TYR 638 H TYR 638 2.334 14.295 -27.580 338 HA TYR 638 HA TYR 638 1.721 12.139 -29.512 339 HB2 TYR 638 1HB TYR 638 -0.229 13.275 -30.457 340 HB3 TYR 638 2HB TYR 638 -0.503 12.790 -28.778 341 HD1 TYR 638 HD1 TYR 638 -0.856 15.440 -31.119 342 HD2 TYR 638 HD2 TYR 638 -0.024 14.717 -26.951 343 HE1 TYR 638 HE1 TYR 638 -1.602 17.763 -30.546 344 HE2 TYR 638 HE2 TYR 638 -0.707 17.037 -26.422 345 HH TYR 638 HH TYR 638 -1.554 18.984 -27.185 346 H ARG 639 H ARG 639 1.992 12.680 -31.710 347 HA ARG 639 HA ARG 639 3.337 15.262 -32.358 348 HB2 ARG 639 1HB ARG 639 5.215 14.046 -31.628 349 HB3 ARG 639 2HB ARG 639 4.635 12.531 -32.259 350 HG2 ARG 639 1HG ARG 639 5.290 14.621 -34.267 351 HG3 ARG 639 2HG ARG 639 6.638 13.949 -33.350 352 HD2 ARG 639 1HD ARG 639 6.337 11.805 -34.169 353 HD3 ARG 639 2HD ARG 639 4.612 12.056 -34.496 354 HE ARG 639 HE ARG 639 6.003 13.804 -36.191 355 HH11 ARG 639 1HH1 ARG 639 5.666 10.287 -35.799 356 HH12 ARG 639 2HH1 ARG 639 5.968 10.004 -37.500 357 HH21 ARG 639 1HH2 ARG 639 6.379 13.345 -38.306 358 HH22 ARG 639 2HH2 ARG 639 6.363 11.700 -38.891 359 H ALA 640 H ALA 640 3.405 15.591 -34.634 360 HA ALA 640 HA ALA 640 1.913 13.590 -36.275 361 HB1 ALA 640 1HB ALA 640 1.522 16.557 -36.510 362 HB2 ALA 640 2HB ALA 640 0.543 15.243 -37.186 363 HB3 ALA 640 3HB ALA 640 0.512 15.566 -35.439 364 H LEU 641 H LEU 641 2.051 14.542 -38.716 365 HA LEU 641 HA LEU 641 4.802 14.329 -39.397 366 HB2 LEU 641 1HB LEU 641 2.560 15.545 -41.037 367 HB3 LEU 641 2HB LEU 641 4.146 15.090 -41.644 368 HG LEU 641 HG LEU 641 1.909 13.267 -40.745 369 HD11 LEU 641 1HD1 LEU 641 1.899 14.183 -43.070 370 HD12 LEU 641 2HD1 LEU 641 2.097 12.418 -43.029 371 HD13 LEU 641 3HD1 LEU 641 3.501 13.463 -43.336 372 HD21 LEU 641 1HD2 LEU 641 4.799 12.505 -41.332 373 HD22 LEU 641 2HD2 LEU 641 3.440 11.353 -41.296 374 HD23 LEU 641 3HD2 LEU 641 3.890 12.227 -39.823 375 H SER 642 H SER 642 2.743 17.254 -39.007 376 HA SER 642 HA SER 642 5.257 18.854 -39.274 377 HB2 SER 642 1HB SER 642 3.861 20.788 -39.640 378 HB3 SER 642 2HB SER 642 3.395 19.492 -40.759 379 HG SER 642 HG SER 642 1.665 18.999 -39.274 380 H SER 643 H SER 643 2.774 17.951 -36.951 381 HA SER 643 HA SER 643 3.578 20.059 -35.080 382 HB2 SER 643 1HB SER 643 1.721 17.683 -34.751 383 HB3 SER 643 2HB SER 643 2.029 18.897 -33.510 384 HG SER 643 HG SER 643 0.799 19.257 -36.052 385 H GLU 644 H GLU 644 5.080 19.984 -33.609 386 HA GLU 644 HA GLU 644 6.951 17.896 -33.254 387 HB2 GLU 644 1HB GLU 644 7.751 19.254 -31.402 388 HB3 GLU 644 2HB GLU 644 7.226 20.337 -32.706 389 HG2 GLU 644 1HG GLU 644 5.024 20.602 -31.532 390 HG3 GLU 644 2HG GLU 644 5.651 19.633 -30.196 391 H TRP 645 H TRP 645 7.475 16.742 -31.233 392 HA TRP 645 HA TRP 645 5.284 15.286 -30.066 393 HB2 TRP 645 1HB TRP 645 8.236 15.561 -29.462 394 HB3 TRP 645 2HB TRP 645 7.166 14.810 -28.277 395 HD1 TRP 645 HD1 TRP 645 9.251 13.881 -31.157 396 HE1 TRP 645 HE1 TRP 645 8.796 11.510 -31.963 397 HE3 TRP 645 HE3 TRP 645 4.847 13.129 -28.672 398 HZ2 TRP 645 HZ2 TRP 645 6.774 9.529 -31.590 399 HZ3 TRP 645 HZ3 TRP 645 3.665 10.930 -28.953 400 HH2 TRP 645 HH2 TRP 645 4.642 9.158 -30.411 401 H LYS 646 H LYS 646 3.765 16.519 -29.024 402 HA LYS 646 HA LYS 646 4.554 18.606 -27.146 403 HB2 LYS 646 1HB LYS 646 1.951 17.041 -27.278 404 HB3 LYS 646 2HB LYS 646 2.212 18.567 -26.425 405 HG2 LYS 646 1HG LYS 646 2.296 18.130 -29.433 406 HG3 LYS 646 2HG LYS 646 1.012 18.931 -28.524 407 HD2 LYS 646 1HD LYS 646 2.632 20.693 -27.816 408 HD3 LYS 646 2HD LYS 646 3.867 19.923 -28.828 409 HE2 LYS 646 1HE LYS 646 1.230 21.099 -29.777 410 HE3 LYS 646 2HE LYS 646 2.854 21.782 -30.030 411 HZ1 LYS 646 1HZ LYS 646 3.391 19.732 -31.275 412 HZ2 LYS 646 2HZ LYS 646 2.169 20.595 -31.981 413 HZ3 LYS 646 3HZ LYS 646 1.830 19.226 -31.126 414 HA PRO 647 HA PRO 647 5.993 15.467 -24.495 415 HB2 PRO 647 1HB PRO 647 6.758 16.860 -22.297 416 HB3 PRO 647 2HB PRO 647 7.563 17.065 -23.888 417 HG2 PRO 647 1HG PRO 647 5.396 18.750 -22.639 418 HG3 PRO 647 2HG PRO 647 6.951 19.271 -23.366 419 HD2 PRO 647 1HD PRO 647 4.585 19.300 -24.753 420 HD3 PRO 647 2HD PRO 647 6.172 18.962 -25.544 421 H GLU 648 H GLU 648 3.407 17.518 -23.149 422 HA GLU 648 HA GLU 648 2.452 15.233 -21.561 423 HB2 GLU 648 1HB GLU 648 3.986 16.156 -19.978 424 HB3 GLU 648 2HB GLU 648 3.582 17.809 -20.424 425 HG2 GLU 648 1HG GLU 648 1.284 16.311 -19.308 426 HG3 GLU 648 2HG GLU 648 2.636 16.454 -18.201 427 H ILE 649 H ILE 649 0.271 15.209 -21.557 428 HA ILE 649 HA ILE 649 -1.075 17.836 -21.286 429 HB ILE 649 HB ILE 649 -2.224 15.324 -22.589 430 HG12 ILE 649 1HG1 ILE 649 -0.656 16.506 -24.097 431 HG13 ILE 649 2HG1 ILE 649 -2.313 16.502 -24.681 432 HG21 ILE 649 1HG2 ILE 649 -3.480 18.034 -22.029 433 HG22 ILE 649 2HG2 ILE 649 -4.221 16.764 -23.038 434 HG23 ILE 649 3HG2 ILE 649 -3.910 16.467 -21.319 435 HD11 ILE 649 1HD1 ILE 649 -1.125 18.689 -25.027 436 HD12 ILE 649 2HD1 ILE 649 -2.619 18.847 -24.084 437 HD13 ILE 649 3HD1 ILE 649 -1.038 18.891 -23.270 438 H ARG 650 H ARG 650 -1.418 17.878 -19.248 439 HA ARG 650 HA ARG 650 -1.454 15.647 -17.411 440 HB2 ARG 650 1HB ARG 650 -2.080 17.400 -15.776 441 HB3 ARG 650 2HB ARG 650 -0.779 17.995 -16.807 442 HG2 ARG 650 1HG ARG 650 -2.720 19.055 -18.277 443 HG3 ARG 650 2HG ARG 650 -3.824 18.757 -16.913 444 HD2 ARG 650 1HD ARG 650 -2.806 21.073 -16.880 445 HD3 ARG 650 2HD ARG 650 -2.179 20.144 -15.495 446 HE ARG 650 HE ARG 650 -0.415 19.734 -17.700 447 HH11 ARG 650 1HH1 ARG 650 -1.308 22.421 -15.573 448 HH12 ARG 650 2HH1 ARG 650 0.260 23.165 -15.731 449 HH21 ARG 650 1HH2 ARG 650 1.535 20.695 -17.819 450 HH22 ARG 650 2HH2 ARG 650 1.836 22.219 -17.006 451 H LEU 651 H LEU 651 -3.294 14.550 -16.575 452 HA LEU 651 HA LEU 651 -5.616 16.270 -16.455 453 HB2 LEU 651 1HB LEU 651 -5.609 13.991 -18.308 454 HB3 LEU 651 2HB LEU 651 -6.970 14.028 -17.215 455 HG LEU 651 HG LEU 651 -7.974 15.263 -18.760 456 HD11 LEU 651 1HD1 LEU 651 -6.139 17.637 -17.766 457 HD12 LEU 651 2HD1 LEU 651 -7.817 17.178 -17.240 458 HD13 LEU 651 3HD1 LEU 651 -7.557 17.792 -18.872 459 HD21 LEU 651 1HD2 LEU 651 -7.084 15.911 -20.756 460 HD22 LEU 651 2HD2 LEU 651 -5.832 14.753 -20.247 461 HD23 LEU 651 3HD2 LEU 651 -5.569 16.493 -20.050 462 HA PRO 652 HA PRO 652 -5.822 14.378 -12.580 463 HB2 PRO 652 1HB PRO 652 -8.349 14.823 -11.722 464 HB3 PRO 652 2HB PRO 652 -7.275 16.212 -12.094 465 HG2 PRO 652 1HG PRO 652 -9.327 14.888 -13.866 466 HG3 PRO 652 2HG PRO 652 -9.209 16.595 -13.427 467 HD2 PRO 652 1HD PRO 652 -8.152 15.667 -15.721 468 HD3 PRO 652 2HD PRO 652 -7.298 16.931 -14.766 469 H SER 653 H SER 653 -6.799 12.605 -11.276 470 HA SER 653 HA SER 653 -7.447 10.268 -12.753 471 HB2 SER 653 1HB SER 653 -8.127 9.414 -10.492 472 HB3 SER 653 2HB SER 653 -6.518 10.168 -10.549 473 HG SER 653 HG SER 653 -7.757 10.885 -8.760 474 H GLY 654 H GLY 654 -9.430 12.935 -11.769 475 HA2 GLY 654 1HA GLY 654 -11.930 11.426 -11.866 476 HA3 GLY 654 2HA GLY 654 -11.743 13.165 -11.616 477 H SER 655 H SER 655 -10.051 11.900 -14.397 478 HA SER 655 HA SER 655 -12.276 12.869 -16.146 479 HB2 SER 655 1HB SER 655 -10.563 13.468 -17.808 480 HB3 SER 655 2HB SER 655 -10.312 14.360 -16.302 481 HG SER 655 HG SER 655 -8.764 12.660 -15.754 482 H ASP 656 H ASP 656 -13.182 11.234 -17.358 483 HA ASP 656 HA ASP 656 -11.691 8.645 -17.428 484 HB2 ASP 656 1HB ASP 656 -13.696 7.551 -17.563 485 HB3 ASP 656 2HB ASP 656 -14.106 8.901 -16.497 486 H HIS 657 H HIS 657 -12.036 11.289 -19.357 487 HA HIS 657 HA HIS 657 -11.271 9.732 -21.716 488 HB2 HIS 657 1HB HIS 657 -12.884 10.655 -23.212 489 HB3 HIS 657 2HB HIS 657 -13.794 9.964 -21.867 490 HD1 HIS 657 HD1 HIS 657 -13.103 13.184 -23.620 491 HD2 HIS 657 HD2 HIS 657 -14.973 11.898 -20.135 492 HE1 HIS 657 HE1 HIS 657 -14.471 15.128 -22.770 493 H VAL 658 H VAL 658 -10.400 11.238 -23.385 494 HA VAL 658 HA VAL 658 -9.812 13.966 -22.375 495 HB VAL 658 HB VAL 658 -7.864 12.711 -21.583 496 HG11 VAL 658 1HG1 VAL 658 -6.435 11.377 -23.027 497 HG12 VAL 658 2HG1 VAL 658 -8.084 10.727 -23.044 498 HG13 VAL 658 3HG1 VAL 658 -7.498 11.690 -24.414 499 HG21 VAL 658 1HG2 VAL 658 -7.023 14.079 -24.166 500 HG22 VAL 658 2HG2 VAL 658 -7.496 14.948 -22.687 501 HG23 VAL 658 3HG2 VAL 658 -6.077 13.882 -22.672 502 H MET 659 H MET 659 -9.695 15.439 -24.029 503 HA MET 659 HA MET 659 -9.896 14.317 -26.786 504 HB2 MET 659 1HB MET 659 -12.017 15.363 -26.049 505 HB3 MET 659 2HB MET 659 -11.153 16.884 -25.761 506 HG2 MET 659 1HG MET 659 -10.763 17.230 -28.048 507 HG3 MET 659 2HG MET 659 -10.984 15.518 -28.431 508 HE1 MET 659 1HE MET 659 -12.378 15.621 -30.329 509 HE2 MET 659 2HE MET 659 -13.945 16.461 -30.469 510 HE3 MET 659 3HE MET 659 -12.439 17.397 -30.435 511 H LEU 660 H LEU 660 -8.136 14.678 -27.867 512 HA LEU 660 HA LEU 660 -6.263 16.804 -26.962 513 HB2 LEU 660 1HB LEU 660 -6.035 14.639 -29.084 514 HB3 LEU 660 2HB LEU 660 -4.753 15.764 -28.641 515 HG LEU 660 HG LEU 660 -5.950 13.672 -26.793 516 HD11 LEU 660 1HD1 LEU 660 -3.840 12.510 -27.162 517 HD12 LEU 660 2HD1 LEU 660 -3.305 13.781 -28.283 518 HD13 LEU 660 3HD1 LEU 660 -4.695 12.746 -28.695 519 HD21 LEU 660 1HD2 LEU 660 -3.997 14.206 -25.352 520 HD22 LEU 660 2HD2 LEU 660 -5.070 15.599 -25.535 521 HD23 LEU 660 3HD2 LEU 660 -3.546 15.523 -26.455 522 H LYS 661 H LYS 661 -5.411 18.295 -28.541 523 HA LYS 661 HA LYS 661 -6.778 18.591 -31.098 524 HB2 LYS 661 1HB LYS 661 -7.636 20.832 -30.674 525 HB3 LYS 661 2HB LYS 661 -8.407 19.669 -29.597 526 HG2 LYS 661 1HG LYS 661 -6.907 20.397 -27.755 527 HG3 LYS 661 2HG LYS 661 -6.209 21.621 -28.838 528 HD2 LYS 661 1HD LYS 661 -8.460 22.585 -29.162 529 HD3 LYS 661 2HD LYS 661 -9.121 21.382 -28.029 530 HE2 LYS 661 1HE LYS 661 -7.604 22.217 -26.276 531 HE3 LYS 661 2HE LYS 661 -6.981 23.439 -27.407 532 HZ1 LYS 661 1HZ LYS 661 -9.802 23.224 -26.498 533 HZ2 LYS 661 2HZ LYS 661 -9.225 24.358 -27.548 534 HZ3 LYS 661 3HZ LYS 661 -8.717 24.352 -25.978 535 H SER 662 H SER 662 -5.846 20.939 -31.896 536 HA SER 662 HA SER 662 -3.932 21.941 -32.679 537 HB2 SER 662 1HB SER 662 -2.804 21.371 -29.911 538 HB3 SER 662 2HB SER 662 -2.185 22.549 -31.085 539 HG SER 662 HG SER 662 -3.900 23.822 -30.741 540 H LEU 663 H LEU 663 -4.309 19.563 -33.586 541 HA LEU 663 HA LEU 663 -1.628 18.311 -33.787 542 HB2 LEU 663 1HB LEU 663 -2.815 16.088 -33.841 543 HB3 LEU 663 2HB LEU 663 -2.796 16.879 -32.277 544 HG LEU 663 HG LEU 663 -5.216 17.665 -32.839 545 HD11 LEU 663 1HD1 LEU 663 -4.868 15.408 -34.821 546 HD12 LEU 663 2HD1 LEU 663 -5.455 17.048 -35.132 547 HD13 LEU 663 3HD1 LEU 663 -6.446 15.923 -34.188 548 HD21 LEU 663 1HD2 LEU 663 -4.545 16.068 -31.091 549 HD22 LEU 663 2HD2 LEU 663 -4.556 14.749 -32.287 550 HD23 LEU 663 3HD2 LEU 663 -6.068 15.586 -31.864 551 H ASP 664 H ASP 664 -1.518 17.078 -35.890 552 HA ASP 664 HA ASP 664 -2.672 18.680 -38.003 553 HB2 ASP 664 1HB ASP 664 -1.308 15.951 -38.132 554 HB3 ASP 664 2HB ASP 664 -1.716 16.962 -39.521 555 H TRP 665 H TRP 665 -4.489 18.217 -39.253 556 HA TRP 665 HA TRP 665 -5.950 15.712 -38.520 557 HB2 TRP 665 1HB TRP 665 -7.987 16.978 -39.310 558 HB3 TRP 665 2HB TRP 665 -7.245 17.541 -37.811 559 HD1 TRP 665 HD1 TRP 665 -6.063 19.941 -37.840 560 HE1 TRP 665 HE1 TRP 665 -6.203 21.953 -39.371 561 HE3 TRP 665 HE3 TRP 665 -8.263 17.613 -41.829 562 HZ2 TRP 665 HZ2 TRP 665 -7.114 22.495 -42.030 563 HZ3 TRP 665 HZ3 TRP 665 -8.726 18.953 -43.886 564 HH2 TRP 665 HH2 TRP 665 -8.147 21.378 -43.977 565 H ASN 666 H ASN 666 -4.758 17.715 -41.164 566 HA ASN 666 HA ASN 666 -5.977 15.929 -43.181 567 HB2 ASN 666 1HB ASN 666 -5.697 18.520 -43.344 568 HB3 ASN 666 2HB ASN 666 -4.006 18.168 -43.716 569 HD21 ASN 666 1HD2 ASN 666 -4.781 17.828 -47.055 570 HD22 ASN 666 2HD2 ASN 666 -3.728 18.440 -45.804 571 H ALA 667 H ALA 667 -3.558 15.546 -41.135 572 HA ALA 667 HA ALA 667 -1.950 13.885 -42.965 573 HB1 ALA 667 1HB ALA 667 0.151 14.825 -41.912 574 HB2 ALA 667 2HB ALA 667 -0.678 15.976 -42.980 575 HB3 ALA 667 3HB ALA 667 -0.821 16.126 -41.217 576 H GLU 668 H GLU 668 -0.573 12.444 -41.555 577 HA GLU 668 HA GLU 668 -2.285 11.496 -39.400 578 HB2 GLU 668 1HB GLU 668 -0.222 9.757 -39.405 579 HB3 GLU 668 2HB GLU 668 -1.630 9.641 -40.464 580 HG2 GLU 668 1HG GLU 668 -0.396 10.774 -42.268 581 HG3 GLU 668 2HG GLU 668 1.017 10.923 -41.205 582 H TYR 669 H TYR 669 -1.760 10.942 -37.366 583 HA TYR 669 HA TYR 669 0.741 12.013 -36.241 584 HB2 TYR 669 1HB TYR 669 -0.466 13.190 -34.456 585 HB3 TYR 669 2HB TYR 669 -0.865 13.852 -36.041 586 HD1 TYR 669 HD1 TYR 669 -3.054 13.496 -37.071 587 HD2 TYR 669 HD2 TYR 669 -2.166 12.096 -33.108 588 HE1 TYR 669 HE1 TYR 669 -5.462 13.267 -36.622 589 HE2 TYR 669 HE2 TYR 669 -4.599 11.858 -32.654 590 HH TYR 669 HH TYR 669 -7.050 12.790 -35.096 591 H GLU 670 H GLU 670 1.155 11.226 -34.118 592 HA GLU 670 HA GLU 670 -0.256 8.645 -33.544 593 HB2 GLU 670 1HB GLU 670 1.919 7.813 -32.722 594 HB3 GLU 670 2HB GLU 670 1.989 8.240 -34.437 595 HG2 GLU 670 1HG GLU 670 3.040 10.432 -33.806 596 HG3 GLU 670 2HG GLU 670 3.084 9.884 -32.127 597 H VAL 671 H VAL 671 -0.715 8.217 -31.413 598 HA VAL 671 HA VAL 671 -0.151 10.423 -29.452 599 HB VAL 671 HB VAL 671 -2.713 8.794 -29.791 600 HG11 VAL 671 1HG1 VAL 671 -2.323 9.254 -27.431 601 HG12 VAL 671 2HG1 VAL 671 -1.999 10.968 -27.783 602 HG13 VAL 671 3HG1 VAL 671 -3.630 10.293 -28.015 603 HG21 VAL 671 1HG2 VAL 671 -2.586 10.482 -31.527 604 HG22 VAL 671 2HG2 VAL 671 -3.781 10.986 -30.322 605 HG23 VAL 671 3HG2 VAL 671 -2.169 11.736 -30.337 606 H TYR 672 H TYR 672 0.744 9.712 -27.599 607 HA TYR 672 HA TYR 672 0.434 6.811 -26.869 608 HB2 TYR 672 1HB TYR 672 2.766 8.732 -26.560 609 HB3 TYR 672 2HB TYR 672 2.591 7.300 -25.536 610 HD1 TYR 672 HD1 TYR 672 3.341 5.185 -26.270 611 HD2 TYR 672 HD2 TYR 672 2.802 8.347 -29.129 612 HE1 TYR 672 HE1 TYR 672 4.351 3.751 -28.043 613 HE2 TYR 672 HE2 TYR 672 3.835 6.916 -30.889 614 HH TYR 672 HH TYR 672 4.763 4.920 -31.405 615 H VAL 673 H VAL 673 -0.285 6.456 -24.777 616 HA VAL 673 HA VAL 673 -0.556 8.825 -23.000 617 HB VAL 673 HB VAL 673 -2.675 8.860 -24.121 618 HG11 VAL 673 1HG1 VAL 673 -4.153 6.777 -24.232 619 HG12 VAL 673 2HG1 VAL 673 -2.763 6.839 -25.332 620 HG13 VAL 673 3HG1 VAL 673 -2.683 5.847 -23.865 621 HG21 VAL 673 1HG2 VAL 673 -2.796 9.017 -21.621 622 HG22 VAL 673 2HG2 VAL 673 -4.290 8.414 -22.367 623 HG23 VAL 673 3HG2 VAL 673 -3.182 7.287 -21.561 624 H VAL 674 H VAL 674 -0.413 8.335 -20.859 625 HA VAL 674 HA VAL 674 -0.399 5.462 -20.073 626 HB VAL 674 HB VAL 674 1.588 5.870 -18.589 627 HG11 VAL 674 1HG1 VAL 674 3.331 5.885 -20.391 628 HG12 VAL 674 2HG1 VAL 674 2.001 4.748 -20.651 629 HG13 VAL 674 3HG1 VAL 674 2.046 6.273 -21.569 630 HG21 VAL 674 1HG2 VAL 674 1.453 8.322 -18.410 631 HG22 VAL 674 2HG2 VAL 674 3.053 7.814 -18.979 632 HG23 VAL 674 3HG2 VAL 674 1.877 8.486 -20.130 633 H ALA 675 H ALA 675 -0.750 5.183 -17.797 634 HA ALA 675 HA ALA 675 -2.174 7.496 -16.537 635 HB1 ALA 675 1HB ALA 675 -3.346 5.848 -15.223 636 HB2 ALA 675 2HB ALA 675 -3.448 5.336 -16.919 637 HB3 ALA 675 3HB ALA 675 -2.307 4.538 -15.818 638 H GLU 676 H GLU 676 -1.592 8.009 -14.378 639 HA GLU 676 HA GLU 676 0.980 6.794 -13.411 640 HB2 GLU 676 1HB GLU 676 1.260 9.121 -14.322 641 HB3 GLU 676 2HB GLU 676 -0.019 9.673 -13.241 642 HG2 GLU 676 1HG GLU 676 1.691 8.523 -11.455 643 HG3 GLU 676 2HG GLU 676 2.820 9.113 -12.691 644 H ASN 677 H ASN 677 0.581 5.749 -11.488 645 HA ASN 677 HA ASN 677 -1.710 6.808 -9.888 646 HB2 ASN 677 1HB ASN 677 -2.585 4.769 -9.498 647 HB3 ASN 677 2HB ASN 677 -1.821 4.378 -11.033 648 HD21 ASN 677 1HD2 ASN 677 -1.073 1.952 -8.188 649 HD22 ASN 677 2HD2 ASN 677 -2.557 2.791 -8.606 650 H GLN 678 H GLN 678 -1.363 5.999 -7.483 651 HA GLN 678 HA GLN 678 0.956 7.508 -6.743 652 HB2 GLN 678 1HB GLN 678 -1.364 7.390 -5.764 653 HB3 GLN 678 2HB GLN 678 -0.850 5.907 -4.913 654 HG2 GLN 678 1HG GLN 678 0.709 8.517 -4.647 655 HG3 GLN 678 2HG GLN 678 -0.770 8.263 -3.719 656 HE21 GLN 678 1HE2 GLN 678 0.832 5.417 -1.932 657 HE22 GLN 678 2HE2 GLN 678 -0.560 5.602 -2.968 658 H GLN 679 H GLN 679 1.053 4.402 -7.803 659 HA GLN 679 HA GLN 679 3.389 3.810 -6.050 660 HB2 GLN 679 1HB GLN 679 1.109 2.165 -6.829 661 HB3 GLN 679 2HB GLN 679 2.653 1.426 -7.236 662 HG2 GLN 679 1HG GLN 679 2.163 0.647 -5.087 663 HG3 GLN 679 2HG GLN 679 3.421 1.863 -4.883 664 HE21 GLN 679 1HE2 GLN 679 -0.246 3.386 -3.875 665 HE22 GLN 679 2HE2 GLN 679 0.080 2.808 -5.489 666 H GLY 680 H GLY 680 2.363 4.405 -9.309 667 HA2 GLY 680 1HA GLY 680 4.914 4.409 -10.418 668 HA3 GLY 680 2HA GLY 680 4.327 2.749 -10.599 669 H LYS 681 H LYS 681 4.348 3.087 -12.958 670 HA LYS 681 HA LYS 681 1.952 4.683 -13.821 671 HB2 LYS 681 1HB LYS 681 4.657 4.655 -15.187 672 HB3 LYS 681 2HB LYS 681 3.183 5.399 -15.828 673 HG2 LYS 681 1HG LYS 681 3.134 6.740 -13.616 674 HG3 LYS 681 2HG LYS 681 4.824 6.246 -13.441 675 HD2 LYS 681 1HD LYS 681 3.650 7.743 -15.817 676 HD3 LYS 681 2HD LYS 681 4.568 8.472 -14.485 677 HE2 LYS 681 1HE LYS 681 6.457 6.876 -15.073 678 HE3 LYS 681 2HE LYS 681 5.562 6.486 -16.555 679 HZ1 LYS 681 1HZ LYS 681 5.633 8.837 -17.136 680 HZ2 LYS 681 2HZ LYS 681 7.163 8.256 -16.928 681 HZ3 LYS 681 3HZ LYS 681 6.469 9.195 -15.761 682 H SER 682 H SER 682 1.168 4.182 -15.965 683 HA SER 682 HA SER 682 0.998 1.256 -16.168 684 HB2 SER 682 1HB SER 682 -0.928 1.608 -17.442 685 HB3 SER 682 2HB SER 682 -0.943 2.987 -16.350 686 HG SER 682 HG SER 682 -0.138 2.920 -19.074 687 H LYS 683 H LYS 683 1.075 0.163 -18.252 688 HA LYS 683 HA LYS 683 3.407 0.877 -19.824 689 HB2 LYS 683 1HB LYS 683 2.248 -1.462 -19.509 690 HB3 LYS 683 2HB LYS 683 1.158 -0.901 -20.783 691 HG2 LYS 683 1HG LYS 683 3.076 -0.562 -22.300 692 HG3 LYS 683 2HG LYS 683 4.180 -1.139 -21.042 693 HD2 LYS 683 1HD LYS 683 1.906 -2.801 -22.198 694 HD3 LYS 683 2HD LYS 683 3.570 -2.834 -22.810 695 HE2 LYS 683 1HE LYS 683 4.361 -3.493 -20.519 696 HE3 LYS 683 2HE LYS 683 2.664 -3.602 -20.003 697 HZ1 LYS 683 1HZ LYS 683 3.902 -5.195 -22.177 698 HZ2 LYS 683 2HZ LYS 683 2.326 -5.298 -21.702 699 HZ3 LYS 683 3HZ LYS 683 3.530 -5.756 -20.671 700 H ALA 684 H ALA 684 3.376 1.826 -21.931 701 HA ALA 684 HA ALA 684 1.251 3.746 -22.332 702 HB1 ALA 684 1HB ALA 684 2.571 4.418 -24.278 703 HB2 ALA 684 2HB ALA 684 3.643 4.185 -22.878 704 HB3 ALA 684 3HB ALA 684 3.558 2.940 -24.150 705 H ALA 685 H ALA 685 -0.217 3.896 -23.988 706 HA ALA 685 HA ALA 685 -0.486 1.526 -25.806 707 HB1 ALA 685 1HB ALA 685 -2.916 1.816 -25.738 708 HB2 ALA 685 2HB ALA 685 -2.351 1.612 -24.065 709 HB3 ALA 685 3HB ALA 685 -2.762 3.231 -24.678 710 H HIS 686 H HIS 686 -0.962 2.243 -27.979 711 HA HIS 686 HA HIS 686 -0.977 5.143 -28.393 712 HB2 HIS 686 1HB HIS 686 0.834 5.082 -29.985 713 HB3 HIS 686 2HB HIS 686 1.374 4.477 -28.416 714 HD1 HIS 686 HD1 HIS 686 1.876 1.862 -28.255 715 HD2 HIS 686 HD2 HIS 686 0.981 3.278 -32.062 716 HE1 HIS 686 HE1 HIS 686 2.564 0.057 -29.885 717 H PHE 687 H PHE 687 -1.744 5.894 -30.359 718 HA PHE 687 HA PHE 687 -2.636 3.884 -32.315 719 HB2 PHE 687 1HB PHE 687 -4.900 4.311 -32.249 720 HB3 PHE 687 2HB PHE 687 -4.486 4.325 -30.531 721 HD1 PHE 687 HD1 PHE 687 -4.170 6.588 -29.367 722 HD2 PHE 687 HD2 PHE 687 -5.901 6.173 -33.285 723 HE1 PHE 687 HE1 PHE 687 -5.241 8.830 -29.134 724 HE2 PHE 687 HE2 PHE 687 -6.942 8.405 -33.068 725 HZ PHE 687 HZ PHE 687 -6.637 9.740 -30.988 726 H VAL 688 H VAL 688 -3.270 4.879 -34.360 727 HA VAL 688 HA VAL 688 -2.021 7.565 -34.774 728 HB VAL 688 HB VAL 688 -1.870 5.088 -36.583 729 HG11 VAL 688 1HG1 VAL 688 -0.624 7.853 -36.955 730 HG12 VAL 688 2HG1 VAL 688 -0.324 6.439 -37.987 731 HG13 VAL 688 3HG1 VAL 688 -1.941 7.156 -37.928 732 HG21 VAL 688 1HG2 VAL 688 0.590 5.187 -36.118 733 HG22 VAL 688 2HG2 VAL 688 0.290 6.472 -34.927 734 HG23 VAL 688 3HG2 VAL 688 -0.367 4.839 -34.667 735 H PHE 689 H PHE 689 -3.182 8.923 -36.227 736 HA PHE 689 HA PHE 689 -5.548 7.826 -37.609 737 HB2 PHE 689 1HB PHE 689 -6.300 8.220 -35.262 738 HB3 PHE 689 2HB PHE 689 -5.786 9.903 -35.391 739 HD1 PHE 689 HD1 PHE 689 -7.143 11.541 -36.569 740 HD2 PHE 689 HD2 PHE 689 -8.259 7.388 -36.558 741 HE1 PHE 689 HE1 PHE 689 -9.377 12.155 -37.467 742 HE2 PHE 689 HE2 PHE 689 -10.497 7.989 -37.480 743 HZ PHE 689 HZ PHE 689 -11.055 10.376 -37.944 744 H ARG 690 H ARG 690 -6.532 9.350 -39.049 745 HA ARG 690 HA ARG 690 -5.664 12.117 -39.184 746 HB2 ARG 690 1HB ARG 690 -4.918 12.072 -41.525 747 HB3 ARG 690 2HB ARG 690 -3.839 11.220 -40.465 748 HG2 ARG 690 1HG ARG 690 -3.818 9.861 -42.291 749 HG3 ARG 690 2HG ARG 690 -4.970 9.042 -41.239 750 HD2 ARG 690 1HD ARG 690 -5.665 9.167 -43.670 751 HD3 ARG 690 2HD ARG 690 -6.845 9.867 -42.559 752 HE ARG 690 HE ARG 690 -6.519 11.962 -43.491 753 HH11 ARG 690 1HH1 ARG 690 -3.880 9.887 -44.629 754 HH12 ARG 690 2HH1 ARG 690 -3.350 11.073 -45.791 755 HH21 ARG 690 1HH2 ARG 690 -5.814 13.379 -45.001 756 HH22 ARG 690 2HH2 ARG 690 -4.409 13.029 -45.974 757 H THR 691 H THR 691 -7.092 13.220 -40.829 758 HA THR 691 HA THR 691 -9.453 11.542 -41.581 759 HB THR 691 HB THR 691 -10.031 12.848 -39.508 760 HG1 THR 691 HG1 THR 691 -11.929 13.707 -40.410 761 HG21 THR 691 1HG2 THR 691 -8.642 14.810 -39.764 762 HG22 THR 691 2HG2 THR 691 -10.346 15.303 -39.729 763 HG23 THR 691 3HG2 THR 691 -9.468 15.257 -41.274 764 H HIS 692 H HIS 692 -10.798 13.288 -43.114 765 HA HIS 692 HA HIS 692 -10.779 14.008 -45.301 766 HB2 HIS 692 1HB HIS 692 -8.597 15.681 -44.063 767 HB3 HIS 692 2HB HIS 692 -9.027 15.841 -45.769 768 HD1 HIS 692 HD1 HIS 692 -11.671 16.416 -46.236 769 HD2 HIS 692 HD2 HIS 692 -10.210 17.117 -42.406 770 HE1 HIS 692 HE1 HIS 692 -13.298 17.990 -45.111 771 H HIS 693 H HIS 693 -10.112 11.708 -45.765 772 HA HIS 693 HA HIS 693 -7.415 11.155 -46.577 773 HB2 HIS 693 1HB HIS 693 -9.533 9.601 -46.151 774 HB3 HIS 693 2HB HIS 693 -9.762 9.822 -47.892 775 HD1 HIS 693 HD1 HIS 693 -7.149 9.405 -49.169 776 HD2 HIS 693 HD2 HIS 693 -8.147 7.368 -45.685 777 HE1 HIS 693 HE1 HIS 693 -5.651 7.374 -49.060 778 H HIS 694 H HIS 694 -9.891 13.087 -47.898 779 HA HIS 694 HA HIS 694 -8.232 13.631 -50.284 780 HB2 HIS 694 1HB HIS 694 -10.173 12.132 -50.941 781 HB3 HIS 694 2HB HIS 694 -11.268 13.384 -50.338 782 HD1 HIS 694 HD1 HIS 694 -8.735 12.763 -53.111 783 HD2 HIS 694 HD2 HIS 694 -11.662 15.518 -52.038 784 HE1 HIS 694 HE1 HIS 694 -9.051 14.297 -55.093 785 H HIS 695 H HIS 695 -8.165 15.852 -50.650 786 HA HIS 695 HA HIS 695 -10.005 17.676 -49.284 787 HB2 HIS 695 1HB HIS 695 -8.049 16.950 -47.663 788 HB3 HIS 695 2HB HIS 695 -7.046 17.969 -48.701 789 HD1 HIS 695 HD1 HIS 695 -9.985 18.173 -46.297 790 HD2 HIS 695 HD2 HIS 695 -7.343 20.687 -48.293 791 HE1 HIS 695 HE1 HIS 695 -10.346 20.490 -45.364 792 H HIS 696 H HIS 696 -9.178 20.003 -49.970 793 HA HIS 696 HA HIS 696 -7.945 19.772 -52.687 794 HB2 HIS 696 1HB HIS 696 -10.065 21.769 -51.850 795 HB3 HIS 696 2HB HIS 696 -9.465 21.442 -53.483 796 HD1 HIS 696 HD1 HIS 696 -9.940 18.639 -54.099 797 HD2 HIS 696 HD2 HIS 696 -12.447 20.635 -51.450 798 HE1 HIS 696 HE1 HIS 696 -12.090 17.319 -54.001 799 H HIS 697 H HIS 697 -6.773 21.679 -53.409 800 HA HIS 697 HA HIS 697 -6.217 23.850 -51.558 801 HB2 HIS 697 1HB HIS 697 -4.708 21.812 -50.847 802 HB3 HIS 697 2HB HIS 697 -3.881 22.090 -52.385 803 HD1 HIS 697 HD1 HIS 697 -3.622 25.123 -52.472 804 HD2 HIS 697 HD2 HIS 697 -3.060 22.927 -48.968 805 HE1 HIS 697 HE1 HIS 697 -2.190 26.556 -50.951 Start of MODEL 12 1 H1 MET 595 1H MET 595 3.965 1.175 0.293 2 H2 MET 595 2H MET 595 3.130 -0.244 0.198 3 H3 MET 595 3H MET 595 4.780 -0.259 0.250 4 HA MET 595 HA MET 595 3.139 0.865 -1.918 5 HB2 MET 595 1HB MET 595 5.248 1.173 -3.117 6 HB3 MET 595 2HB MET 595 5.224 2.085 -1.606 7 HG2 MET 595 1HG MET 595 6.590 0.274 -0.540 8 HG3 MET 595 2HG MET 595 6.711 -0.510 -2.128 9 HE1 MET 595 1HE MET 595 9.373 -0.450 -2.117 10 HE2 MET 595 2HE MET 595 10.308 1.012 -1.726 11 HE3 MET 595 3HE MET 595 9.307 0.239 -0.474 12 H GLN 596 H GLN 596 4.928 -1.918 -0.629 13 HA GLN 596 HA GLN 596 5.164 -3.399 -2.990 14 HB2 GLN 596 1HB GLN 596 4.735 -4.421 -0.162 15 HB3 GLN 596 2HB GLN 596 5.447 -5.317 -1.507 16 HG2 GLN 596 1HG GLN 596 7.399 -4.649 -0.561 17 HG3 GLN 596 2HG GLN 596 7.112 -3.170 -1.484 18 HE21 GLN 596 1HE2 GLN 596 7.573 -2.908 2.432 19 HE22 GLN 596 2HE2 GLN 596 8.119 -4.213 1.408 20 HA PRO 597 HA PRO 597 1.244 -5.738 -2.308 21 HB2 PRO 597 1HB PRO 597 -0.923 -4.857 -0.967 22 HB3 PRO 597 2HB PRO 597 0.482 -5.566 -0.104 23 HG2 PRO 597 1HG PRO 597 -0.164 -2.674 -0.602 24 HG3 PRO 597 2HG PRO 597 0.209 -3.493 0.948 25 HD2 PRO 597 1HD PRO 597 2.098 -2.165 -0.487 26 HD3 PRO 597 2HD PRO 597 2.488 -3.646 0.453 27 H VAL 598 H VAL 598 1.365 -2.491 -3.333 28 HA VAL 598 HA VAL 598 -1.151 -2.835 -4.894 29 HB VAL 598 HB VAL 598 -1.712 -0.909 -3.842 30 HG11 VAL 598 1HG1 VAL 598 0.097 -0.868 -2.250 31 HG12 VAL 598 2HG1 VAL 598 1.220 -0.240 -3.483 32 HG13 VAL 598 3HG1 VAL 598 -0.127 0.759 -2.903 33 HG21 VAL 598 1HG2 VAL 598 -1.416 -0.250 -6.221 34 HG22 VAL 598 2HG2 VAL 598 -1.193 1.105 -5.105 35 HG23 VAL 598 3HG2 VAL 598 0.220 0.326 -5.845 36 H ARG 599 H ARG 599 -1.015 -3.091 -6.949 37 HA ARG 599 HA ARG 599 1.614 -3.060 -8.256 38 HB2 ARG 599 1HB ARG 599 0.447 -4.170 -10.088 39 HB3 ARG 599 2HB ARG 599 0.001 -4.935 -8.556 40 HG2 ARG 599 1HG ARG 599 -2.142 -3.725 -8.543 41 HG3 ARG 599 2HG ARG 599 -1.686 -2.861 -10.016 42 HD2 ARG 599 1HD ARG 599 -3.164 -4.584 -10.664 43 HD3 ARG 599 2HD ARG 599 -1.542 -5.071 -11.194 44 HE ARG 599 HE ARG 599 -1.881 -6.203 -8.664 45 HH11 ARG 599 1HH1 ARG 599 -3.582 -6.450 -11.743 46 HH12 ARG 599 2HH1 ARG 599 -4.102 -8.086 -11.433 47 HH21 ARG 599 1HH2 ARG 599 -2.579 -8.289 -8.332 48 HH22 ARG 599 2HH2 ARG 599 -3.547 -9.103 -9.530 49 H GLU 600 H GLU 600 1.796 -2.234 -10.494 50 HA GLU 600 HA GLU 600 1.001 0.543 -10.703 51 HB2 GLU 600 1HB GLU 600 2.312 -1.411 -12.636 52 HB3 GLU 600 2HB GLU 600 2.057 0.302 -12.979 53 HG2 GLU 600 1HG GLU 600 3.402 0.855 -10.953 54 HG3 GLU 600 2HG GLU 600 3.779 -0.865 -10.781 55 HA PRO 601 HA PRO 601 -2.798 -0.202 -12.727 56 HB2 PRO 601 1HB PRO 601 -3.152 1.961 -14.363 57 HB3 PRO 601 2HB PRO 601 -3.214 2.032 -12.582 58 HG2 PRO 601 1HG PRO 601 -1.005 2.771 -14.419 59 HG3 PRO 601 2HG PRO 601 -1.591 3.611 -12.973 60 HD2 PRO 601 1HD PRO 601 0.629 1.991 -13.070 61 HD3 PRO 601 2HD PRO 601 -0.328 2.298 -11.591 62 H SER 602 H SER 602 -4.030 -0.501 -14.686 63 HA SER 602 HA SER 602 -2.555 -2.054 -16.637 64 HB2 SER 602 1HB SER 602 -4.772 -2.529 -17.561 65 HB3 SER 602 2HB SER 602 -4.814 -2.691 -15.791 66 HG SER 602 HG SER 602 -6.550 -1.457 -16.254 67 H ALA 603 H ALA 603 -2.623 -1.695 -18.937 68 HA ALA 603 HA ALA 603 -1.956 0.930 -19.728 69 HB1 ALA 603 1HB ALA 603 -1.385 -1.224 -20.955 70 HB2 ALA 603 2HB ALA 603 -3.071 -1.279 -21.521 71 HB3 ALA 603 3HB ALA 603 -2.011 0.068 -22.003 72 HA PRO 604 HA PRO 604 -5.986 2.714 -19.961 73 HB2 PRO 604 1HB PRO 604 -5.619 4.717 -21.808 74 HB3 PRO 604 2HB PRO 604 -4.976 4.796 -20.138 75 HG2 PRO 604 1HG PRO 604 -3.606 3.939 -22.640 76 HG3 PRO 604 2HG PRO 604 -3.069 5.104 -21.398 77 HD2 PRO 604 1HD PRO 604 -2.164 2.601 -21.422 78 HD3 PRO 604 2HD PRO 604 -2.557 3.427 -19.872 79 H LYS 605 H LYS 605 -7.839 2.903 -21.284 80 HA LYS 605 HA LYS 605 -7.962 0.835 -23.356 81 HB2 LYS 605 1HB LYS 605 -9.974 2.934 -22.454 82 HB3 LYS 605 2HB LYS 605 -10.303 1.745 -23.690 83 HG2 LYS 605 1HG LYS 605 -11.338 0.811 -21.876 84 HG3 LYS 605 2HG LYS 605 -9.794 -0.038 -21.889 85 HD2 LYS 605 1HD LYS 605 -10.559 0.627 -19.611 86 HD3 LYS 605 2HD LYS 605 -8.976 1.284 -20.027 87 HE2 LYS 605 1HE LYS 605 -10.487 2.880 -18.825 88 HE3 LYS 605 2HE LYS 605 -9.844 3.485 -20.343 89 HZ1 LYS 605 1HZ LYS 605 -12.605 2.458 -19.998 90 HZ2 LYS 605 2HZ LYS 605 -11.988 3.136 -21.373 91 HZ3 LYS 605 3HZ LYS 605 -12.174 4.054 -20.018 92 H LEU 606 H LEU 606 -8.680 1.307 -25.604 93 HA LEU 606 HA LEU 606 -8.503 4.119 -26.391 94 HB2 LEU 606 1HB LEU 606 -6.182 3.171 -26.594 95 HB3 LEU 606 2HB LEU 606 -6.794 2.007 -27.759 96 HG LEU 606 HG LEU 606 -5.542 4.116 -28.572 97 HD11 LEU 606 1HD1 LEU 606 -6.918 4.267 -30.632 98 HD12 LEU 606 2HD1 LEU 606 -8.189 3.325 -29.838 99 HD13 LEU 606 3HD1 LEU 606 -6.601 2.596 -30.126 100 HD21 LEU 606 1HD2 LEU 606 -8.284 5.392 -28.195 101 HD22 LEU 606 2HD2 LEU 606 -6.878 6.115 -28.979 102 HD23 LEU 606 3HD2 LEU 606 -6.833 5.762 -27.241 103 H GLU 607 H GLU 607 -10.036 4.563 -27.799 104 HA GLU 607 HA GLU 607 -11.302 2.325 -29.329 105 HB2 GLU 607 1HB GLU 607 -12.499 4.821 -28.092 106 HB3 GLU 607 2HB GLU 607 -13.353 3.798 -29.254 107 HG2 GLU 607 1HG GLU 607 -13.220 1.892 -27.737 108 HG3 GLU 607 2HG GLU 607 -12.297 2.864 -26.573 109 H GLY 608 H GLY 608 -9.937 5.576 -29.371 110 HA2 GLY 608 1HA GLY 608 -9.303 6.898 -31.146 111 HA3 GLY 608 2HA GLY 608 -9.539 5.485 -32.191 112 H GLN 609 H GLN 609 -11.772 7.474 -30.190 113 HA GLN 609 HA GLN 609 -13.840 7.250 -32.225 114 HB2 GLN 609 1HB GLN 609 -13.605 8.926 -29.709 115 HB3 GLN 609 2HB GLN 609 -15.035 8.911 -30.736 116 HG2 GLN 609 1HG GLN 609 -13.926 6.469 -29.280 117 HG3 GLN 609 2HG GLN 609 -15.239 7.485 -28.696 118 HE21 GLN 609 1HE2 GLN 609 -16.589 4.500 -30.334 119 HE22 GLN 609 2HE2 GLN 609 -15.474 4.847 -29.013 120 H MET 610 H MET 610 -13.903 8.401 -33.996 121 HA MET 610 HA MET 610 -11.922 10.208 -34.735 122 HB2 MET 610 1HB MET 610 -14.751 10.099 -35.836 123 HB3 MET 610 2HB MET 610 -13.324 10.736 -36.655 124 HG2 MET 610 1HG MET 610 -13.513 8.658 -37.635 125 HG3 MET 610 2HG MET 610 -12.366 8.321 -36.332 126 HE1 MET 610 1HE MET 610 -16.410 8.675 -36.461 127 HE2 MET 610 2HE MET 610 -15.909 7.679 -37.849 128 HE3 MET 610 3HE MET 610 -16.813 6.944 -36.504 129 H GLY 611 H GLY 611 -11.557 12.320 -34.652 130 HA2 GLY 611 1HA GLY 611 -13.415 13.972 -33.093 131 HA3 GLY 611 2HA GLY 611 -11.801 14.420 -33.650 132 H GLU 612 H GLU 612 -15.134 13.876 -34.661 133 HA GLU 612 HA GLU 612 -14.889 14.954 -37.311 134 HB2 GLU 612 1HB GLU 612 -16.715 13.494 -36.275 135 HB3 GLU 612 2HB GLU 612 -17.364 14.968 -35.552 136 HG2 GLU 612 1HG GLU 612 -17.808 15.910 -37.735 137 HG3 GLU 612 2HG GLU 612 -16.919 14.599 -38.534 138 H ASP 613 H ASP 613 -14.723 16.336 -34.233 139 HA ASP 613 HA ASP 613 -15.769 18.956 -34.578 140 HB2 ASP 613 1HB ASP 613 -13.198 18.509 -33.084 141 HB3 ASP 613 2HB ASP 613 -14.609 19.449 -32.602 142 H GLY 614 H GLY 614 -12.949 17.350 -35.840 143 HA2 GLY 614 1HA GLY 614 -11.499 18.109 -37.500 144 HA3 GLY 614 2HA GLY 614 -12.167 19.745 -37.350 145 H ASN 615 H ASN 615 -9.345 18.550 -37.334 146 HA ASN 615 HA ASN 615 -7.327 18.958 -36.332 147 HB2 ASN 615 1HB ASN 615 -8.601 21.311 -36.588 148 HB3 ASN 615 2HB ASN 615 -8.461 21.304 -34.827 149 HD21 ASN 615 1HD2 ASN 615 -4.867 21.493 -34.934 150 HD22 ASN 615 2HD2 ASN 615 -6.176 20.693 -34.074 151 H SER 616 H SER 616 -9.443 17.348 -34.822 152 HA SER 616 HA SER 616 -8.146 17.312 -32.167 153 HB2 SER 616 1HB SER 616 -11.151 17.579 -32.529 154 HB3 SER 616 2HB SER 616 -10.246 17.576 -31.005 155 HG SER 616 HG SER 616 -10.363 19.569 -33.012 156 H ILE 617 H ILE 617 -9.035 15.453 -30.801 157 HA ILE 617 HA ILE 617 -10.669 13.433 -32.125 158 HB ILE 617 HB ILE 617 -8.390 12.933 -33.079 159 HG12 ILE 617 1HG1 ILE 617 -9.115 10.606 -31.328 160 HG13 ILE 617 2HG1 ILE 617 -10.346 11.261 -32.403 161 HG21 ILE 617 1HG2 ILE 617 -7.021 13.560 -31.105 162 HG22 ILE 617 2HG2 ILE 617 -7.659 12.158 -30.218 163 HG23 ILE 617 3HG2 ILE 617 -6.659 11.922 -31.669 164 HD11 ILE 617 1HD1 ILE 617 -9.014 10.847 -34.333 165 HD12 ILE 617 2HD1 ILE 617 -7.642 10.335 -33.327 166 HD13 ILE 617 3HD1 ILE 617 -9.131 9.362 -33.365 167 H LYS 618 H LYS 618 -11.312 11.685 -30.641 168 HA LYS 618 HA LYS 618 -10.922 12.469 -27.767 169 HB2 LYS 618 1HB LYS 618 -13.067 10.673 -28.933 170 HB3 LYS 618 2HB LYS 618 -13.005 11.333 -27.314 171 HG2 LYS 618 1HG LYS 618 -14.554 12.749 -28.157 172 HG3 LYS 618 2HG LYS 618 -13.135 13.637 -28.717 173 HD2 LYS 618 1HD LYS 618 -13.421 12.961 -30.947 174 HD3 LYS 618 2HD LYS 618 -14.298 11.494 -30.491 175 HE2 LYS 618 1HE LYS 618 -15.827 13.051 -31.549 176 HE3 LYS 618 2HE LYS 618 -16.262 12.838 -29.847 177 HZ1 LYS 618 1HZ LYS 618 -16.386 15.147 -30.448 178 HZ2 LYS 618 2HZ LYS 618 -14.847 15.170 -31.018 179 HZ3 LYS 618 3HZ LYS 618 -15.124 14.968 -29.402 180 H VAL 619 H VAL 619 -9.686 11.063 -26.554 181 HA VAL 619 HA VAL 619 -9.538 8.238 -27.529 182 HB VAL 619 HB VAL 619 -7.331 8.414 -27.878 183 HG11 VAL 619 1HG1 VAL 619 -7.410 11.157 -26.540 184 HG12 VAL 619 2HG1 VAL 619 -6.019 10.480 -27.409 185 HG13 VAL 619 3HG1 VAL 619 -7.525 10.804 -28.281 186 HG21 VAL 619 1HG2 VAL 619 -7.112 7.432 -25.649 187 HG22 VAL 619 2HG2 VAL 619 -5.764 8.537 -25.969 188 HG23 VAL 619 3HG2 VAL 619 -7.091 9.042 -24.905 189 H ASN 620 H ASN 620 -9.623 6.655 -26.006 190 HA ASN 620 HA ASN 620 -11.288 7.214 -23.763 191 HB2 ASN 620 1HB ASN 620 -10.427 5.022 -25.333 192 HB3 ASN 620 2HB ASN 620 -9.980 4.647 -23.670 193 HD21 ASN 620 1HD2 ASN 620 -13.874 4.991 -24.756 194 HD22 ASN 620 2HD2 ASN 620 -12.640 5.794 -25.667 195 H LEU 621 H LEU 621 -10.968 7.206 -21.582 196 HA LEU 621 HA LEU 621 -8.205 6.725 -20.647 197 HB2 LEU 621 1HB LEU 621 -9.257 9.181 -20.786 198 HB3 LEU 621 2HB LEU 621 -9.790 8.715 -19.173 199 HG LEU 621 HG LEU 621 -7.441 8.234 -18.549 200 HD11 LEU 621 1HD1 LEU 621 -6.401 7.690 -20.676 201 HD12 LEU 621 2HD1 LEU 621 -5.611 9.126 -20.008 202 HD13 LEU 621 3HD1 LEU 621 -6.788 9.292 -21.327 203 HD21 LEU 621 1HD2 LEU 621 -6.742 10.699 -18.687 204 HD22 LEU 621 2HD2 LEU 621 -8.374 10.413 -18.066 205 HD23 LEU 621 3HD2 LEU 621 -8.143 10.968 -19.742 206 H ILE 622 H ILE 622 -7.862 6.029 -18.537 207 HA ILE 622 HA ILE 622 -9.645 4.024 -17.550 208 HB ILE 622 HB ILE 622 -7.283 5.534 -16.424 209 HG12 ILE 622 1HG1 ILE 622 -7.107 2.643 -16.635 210 HG13 ILE 622 2HG1 ILE 622 -7.504 3.381 -18.195 211 HG21 ILE 622 1HG2 ILE 622 -8.725 3.252 -15.063 212 HG22 ILE 622 2HG2 ILE 622 -7.177 3.935 -14.576 213 HG23 ILE 622 3HG2 ILE 622 -8.628 4.935 -14.482 214 HD11 ILE 622 1HD1 ILE 622 -5.184 4.038 -16.397 215 HD12 ILE 622 2HD1 ILE 622 -5.122 3.132 -17.920 216 HD13 ILE 622 3HD1 ILE 622 -5.564 4.862 -17.935 217 H LYS 623 H LYS 623 -11.330 4.128 -16.107 218 HA LYS 623 HA LYS 623 -11.741 6.722 -14.742 219 HB2 LYS 623 1HB LYS 623 -14.178 6.482 -15.010 220 HB3 LYS 623 2HB LYS 623 -13.299 6.663 -16.519 221 HG2 LYS 623 1HG LYS 623 -14.868 5.063 -17.067 222 HG3 LYS 623 2HG LYS 623 -13.448 4.070 -16.714 223 HD2 LYS 623 1HD LYS 623 -14.322 3.609 -14.473 224 HD3 LYS 623 2HD LYS 623 -15.732 4.640 -14.791 225 HE2 LYS 623 1HE LYS 623 -16.520 3.168 -16.492 226 HE3 LYS 623 2HE LYS 623 -14.971 2.291 -16.533 227 HZ1 LYS 623 1HZ LYS 623 -15.381 1.484 -14.332 228 HZ2 LYS 623 2HZ LYS 623 -16.680 1.099 -15.275 229 HZ3 LYS 623 3HZ LYS 623 -16.784 2.345 -14.196 230 H GLN 624 H GLN 624 -10.634 3.977 -13.866 231 HA GLN 624 HA GLN 624 -11.978 3.997 -11.247 232 HB2 GLN 624 1HB GLN 624 -12.495 1.643 -11.247 233 HB3 GLN 624 2HB GLN 624 -13.320 2.379 -12.617 234 HG2 GLN 624 1HG GLN 624 -10.661 0.922 -12.901 235 HG3 GLN 624 2HG GLN 624 -12.214 0.094 -12.993 236 HE21 GLN 624 1HE2 GLN 624 -10.720 1.882 -16.215 237 HE22 GLN 624 2HE2 GLN 624 -9.828 1.676 -14.724 238 H ASP 625 H ASP 625 -10.730 2.170 -9.840 239 HA ASP 625 HA ASP 625 -7.872 2.645 -10.311 240 HB2 ASP 625 1HB ASP 625 -7.569 1.306 -8.266 241 HB3 ASP 625 2HB ASP 625 -8.740 2.608 -8.005 242 H ASP 626 H ASP 626 -6.437 1.133 -11.110 243 HA ASP 626 HA ASP 626 -7.710 -1.222 -12.441 244 HB2 ASP 626 1HB ASP 626 -5.060 0.153 -12.958 245 HB3 ASP 626 2HB ASP 626 -5.751 -1.169 -13.914 246 H GLY 627 H GLY 627 -6.296 -0.733 -9.597 247 HA2 GLY 627 1HA GLY 627 -5.131 -3.387 -9.524 248 HA3 GLY 627 2HA GLY 627 -3.907 -2.118 -9.511 249 H GLY 628 H GLY 628 -3.279 -1.318 -7.624 250 HA2 GLY 628 1HA GLY 628 -4.850 -2.226 -5.255 251 HA3 GLY 628 2HA GLY 628 -3.127 -1.894 -5.275 252 H SER 629 H SER 629 -4.433 0.603 -6.997 253 HA SER 629 HA SER 629 -5.498 2.184 -4.800 254 HB2 SER 629 1HB SER 629 -3.751 3.873 -4.763 255 HB3 SER 629 2HB SER 629 -2.996 2.309 -4.406 256 HG SER 629 HG SER 629 -3.080 3.565 -6.964 257 HA PRO 630 HA PRO 630 -7.063 4.042 -8.489 258 HB2 PRO 630 1HB PRO 630 -7.609 6.622 -7.806 259 HB3 PRO 630 2HB PRO 630 -8.563 5.251 -7.154 260 HG2 PRO 630 1HG PRO 630 -6.237 6.693 -5.901 261 HG3 PRO 630 2HG PRO 630 -7.859 6.359 -5.210 262 HD2 PRO 630 1HD PRO 630 -5.754 4.771 -4.660 263 HD3 PRO 630 2HD PRO 630 -7.390 4.073 -4.921 264 H ILE 631 H ILE 631 -6.590 5.673 -10.123 265 HA ILE 631 HA ILE 631 -3.760 6.083 -10.505 266 HB ILE 631 HB ILE 631 -6.313 6.847 -11.997 267 HG12 ILE 631 1HG1 ILE 631 -5.251 5.613 -13.863 268 HG13 ILE 631 2HG1 ILE 631 -3.767 5.435 -12.912 269 HG21 ILE 631 1HG2 ILE 631 -3.525 7.900 -12.648 270 HG22 ILE 631 2HG2 ILE 631 -4.892 7.951 -13.749 271 HG23 ILE 631 3HG2 ILE 631 -4.966 8.865 -12.251 272 HD11 ILE 631 1HD1 ILE 631 -5.126 3.400 -13.086 273 HD12 ILE 631 2HD1 ILE 631 -4.849 3.899 -11.409 274 HD13 ILE 631 3HD1 ILE 631 -6.429 4.200 -12.188 275 H ARG 632 H ARG 632 -2.664 8.155 -10.513 276 HA ARG 632 HA ARG 632 -3.925 10.172 -8.694 277 HB2 ARG 632 1HB ARG 632 -1.091 9.359 -9.334 278 HB3 ARG 632 2HB ARG 632 -1.420 11.046 -8.964 279 HG2 ARG 632 1HG ARG 632 -2.553 10.221 -6.804 280 HG3 ARG 632 2HG ARG 632 -1.796 8.638 -7.120 281 HD2 ARG 632 1HD ARG 632 -0.384 9.946 -5.631 282 HD3 ARG 632 2HD ARG 632 0.426 9.753 -7.198 283 HE ARG 632 HE ARG 632 -0.943 12.168 -7.390 284 HH11 ARG 632 1HH1 ARG 632 1.567 10.914 -5.245 285 HH12 ARG 632 2HH1 ARG 632 2.253 12.494 -4.979 286 HH21 ARG 632 1HH2 ARG 632 -0.006 14.129 -7.033 287 HH22 ARG 632 2HH2 ARG 632 1.367 14.287 -5.966 288 H HIS 633 H HIS 633 -2.001 9.849 -11.743 289 HA HIS 633 HA HIS 633 -3.449 12.236 -12.809 290 HB2 HIS 633 1HB HIS 633 -0.490 11.908 -13.302 291 HB3 HIS 633 2HB HIS 633 -1.482 13.360 -13.452 292 HD1 HIS 633 HD1 HIS 633 1.124 12.120 -11.441 293 HD2 HIS 633 HD2 HIS 633 -2.482 13.991 -10.560 294 HE1 HIS 633 HE1 HIS 633 1.368 13.085 -9.135 295 H TYR 634 H TYR 634 -3.155 12.475 -15.190 296 HA TYR 634 HA TYR 634 -2.313 9.938 -16.556 297 HB2 TYR 634 1HB TYR 634 -4.484 11.906 -17.359 298 HB3 TYR 634 2HB TYR 634 -3.891 10.576 -18.366 299 HD1 TYR 634 HD1 TYR 634 -6.323 11.528 -15.965 300 HD2 TYR 634 HD2 TYR 634 -3.978 8.182 -17.296 301 HE1 TYR 634 HE1 TYR 634 -7.911 9.964 -14.864 302 HE2 TYR 634 HE2 TYR 634 -5.549 6.638 -16.138 303 HH TYR 634 HH TYR 634 -8.479 7.825 -14.477 304 H LEU 635 H LEU 635 -1.025 10.172 -18.331 305 HA LEU 635 HA LEU 635 -0.184 12.958 -19.002 306 HB2 LEU 635 1HB LEU 635 1.635 10.543 -18.753 307 HB3 LEU 635 2HB LEU 635 2.114 12.162 -19.211 308 HG LEU 635 HG LEU 635 1.128 12.698 -16.747 309 HD11 LEU 635 1HD1 LEU 635 2.182 9.832 -16.560 310 HD12 LEU 635 2HD1 LEU 635 0.540 10.377 -16.167 311 HD13 LEU 635 3HD1 LEU 635 1.908 10.903 -15.168 312 HD21 LEU 635 1HD2 LEU 635 3.476 12.542 -15.951 313 HD22 LEU 635 2HD2 LEU 635 3.350 13.298 -17.549 314 HD23 LEU 635 3HD2 LEU 635 3.892 11.608 -17.411 315 H VAL 636 H VAL 636 -0.406 13.337 -21.149 316 HA VAL 636 HA VAL 636 -0.419 10.972 -22.998 317 HB VAL 636 HB VAL 636 -1.888 13.597 -23.483 318 HG11 VAL 636 1HG1 VAL 636 -3.156 12.188 -25.127 319 HG12 VAL 636 2HG1 VAL 636 -1.432 12.346 -25.512 320 HG13 VAL 636 3HG1 VAL 636 -2.048 10.848 -24.778 321 HG21 VAL 636 1HG2 VAL 636 -3.987 12.288 -22.915 322 HG22 VAL 636 2HG2 VAL 636 -2.942 11.032 -22.226 323 HG23 VAL 636 3HG2 VAL 636 -2.956 12.666 -21.526 324 H ARG 637 H ARG 637 1.016 11.040 -24.693 325 HA ARG 637 HA ARG 637 2.436 13.653 -25.183 326 HB2 ARG 637 1HB ARG 637 3.730 11.808 -23.901 327 HB3 ARG 637 2HB ARG 637 3.630 10.861 -25.388 328 HG2 ARG 637 1HG ARG 637 4.763 12.878 -26.528 329 HG3 ARG 637 2HG ARG 637 5.094 13.455 -24.893 330 HD2 ARG 637 1HD ARG 637 7.041 12.297 -25.533 331 HD3 ARG 637 2HD ARG 637 6.189 11.183 -24.456 332 HE ARG 637 HE ARG 637 6.356 10.999 -27.440 333 HH11 ARG 637 1HH1 ARG 637 5.645 9.385 -24.376 334 HH12 ARG 637 2HH1 ARG 637 5.526 7.820 -25.136 335 HH21 ARG 637 1HH2 ARG 637 6.169 8.990 -28.323 336 HH22 ARG 637 2HH2 ARG 637 5.812 7.603 -27.330 337 H TYR 638 H TYR 638 2.289 14.220 -27.391 338 HA TYR 638 HA TYR 638 1.822 12.024 -29.313 339 HB2 TYR 638 1HB TYR 638 -0.161 12.988 -30.283 340 HB3 TYR 638 2HB TYR 638 -0.437 12.655 -28.575 341 HD1 TYR 638 HD1 TYR 638 -0.834 15.036 -31.173 342 HD2 TYR 638 HD2 TYR 638 -0.062 14.760 -26.942 343 HE1 TYR 638 HE1 TYR 638 -1.675 17.367 -30.852 344 HE2 TYR 638 HE2 TYR 638 -0.867 17.086 -26.659 345 HH TYR 638 HH TYR 638 -2.211 18.990 -29.353 346 H ARG 639 H ARG 639 2.129 12.601 -31.514 347 HA ARG 639 HA ARG 639 3.581 15.182 -31.981 348 HB2 ARG 639 1HB ARG 639 5.388 13.772 -31.439 349 HB3 ARG 639 2HB ARG 639 4.649 12.355 -32.156 350 HG2 ARG 639 1HG ARG 639 5.334 14.523 -34.052 351 HG3 ARG 639 2HG ARG 639 6.699 13.746 -33.244 352 HD2 ARG 639 1HD ARG 639 6.367 11.758 -34.271 353 HD3 ARG 639 2HD ARG 639 4.605 11.906 -34.223 354 HE ARG 639 HE ARG 639 5.546 13.822 -36.065 355 HH11 ARG 639 1HH1 ARG 639 5.353 10.281 -35.800 356 HH12 ARG 639 2HH1 ARG 639 5.257 10.091 -37.539 357 HH21 ARG 639 1HH2 ARG 639 5.440 13.476 -38.232 358 HH22 ARG 639 2HH2 ARG 639 5.307 11.863 -38.887 359 H ALA 640 H ALA 640 3.441 15.807 -34.162 360 HA ALA 640 HA ALA 640 1.565 14.148 -35.793 361 HB1 ALA 640 1HB ALA 640 1.637 17.182 -35.754 362 HB2 ALA 640 2HB ALA 640 0.386 16.109 -36.422 363 HB3 ALA 640 3HB ALA 640 0.587 16.241 -34.666 364 H LEU 641 H LEU 641 1.610 15.062 -38.187 365 HA LEU 641 HA LEU 641 4.259 14.620 -39.176 366 HB2 LEU 641 1HB LEU 641 2.131 14.218 -40.417 367 HB3 LEU 641 2HB LEU 641 1.897 15.962 -40.539 368 HG LEU 641 HG LEU 641 4.525 15.070 -41.532 369 HD11 LEU 641 1HD1 LEU 641 3.691 14.020 -43.577 370 HD12 LEU 641 2HD1 LEU 641 2.019 14.144 -42.989 371 HD13 LEU 641 3HD1 LEU 641 3.181 13.086 -42.156 372 HD21 LEU 641 1HD2 LEU 641 3.610 17.341 -41.883 373 HD22 LEU 641 2HD2 LEU 641 2.243 16.656 -42.790 374 HD23 LEU 641 3HD2 LEU 641 3.898 16.516 -43.428 375 H SER 642 H SER 642 2.333 17.545 -38.562 376 HA SER 642 HA SER 642 4.580 19.272 -39.427 377 HB2 SER 642 1HB SER 642 1.850 20.100 -38.413 378 HB3 SER 642 2HB SER 642 2.969 21.026 -39.436 379 HG SER 642 HG SER 642 1.059 19.235 -40.122 380 H SER 643 H SER 643 3.921 17.791 -36.507 381 HA SER 643 HA SER 643 5.141 20.069 -35.056 382 HB2 SER 643 1HB SER 643 2.589 20.143 -34.892 383 HB3 SER 643 2HB SER 643 2.731 18.683 -33.891 384 HG SER 643 HG SER 643 4.308 20.946 -33.305 385 H GLU 644 H GLU 644 6.204 19.624 -33.196 386 HA GLU 644 HA GLU 644 7.428 16.996 -33.097 387 HB2 GLU 644 1HB GLU 644 8.076 18.533 -30.759 388 HB3 GLU 644 2HB GLU 644 9.089 18.140 -32.141 389 HG2 GLU 644 1HG GLU 644 9.149 20.501 -31.881 390 HG3 GLU 644 2HG GLU 644 8.148 20.189 -33.304 391 H TRP 645 H TRP 645 7.880 16.136 -30.709 392 HA TRP 645 HA TRP 645 5.404 15.062 -29.749 393 HB2 TRP 645 1HB TRP 645 8.227 15.116 -28.633 394 HB3 TRP 645 2HB TRP 645 6.882 14.370 -27.764 395 HD1 TRP 645 HD1 TRP 645 9.443 13.567 -30.336 396 HE1 TRP 645 HE1 TRP 645 9.075 11.265 -31.356 397 HE3 TRP 645 HE3 TRP 645 4.706 12.781 -28.595 398 HZ2 TRP 645 HZ2 TRP 645 7.001 9.299 -31.376 399 HZ3 TRP 645 HZ3 TRP 645 3.562 10.624 -29.142 400 HH2 TRP 645 HH2 TRP 645 4.723 8.907 -30.524 401 H LYS 646 H LYS 646 3.891 16.322 -28.847 402 HA LYS 646 HA LYS 646 4.529 18.548 -27.082 403 HB2 LYS 646 1HB LYS 646 1.983 16.882 -27.265 404 HB3 LYS 646 2HB LYS 646 2.126 18.467 -26.503 405 HG2 LYS 646 1HG LYS 646 2.474 17.885 -29.482 406 HG3 LYS 646 2HG LYS 646 1.034 18.561 -28.726 407 HD2 LYS 646 1HD LYS 646 1.864 20.578 -29.148 408 HD3 LYS 646 2HD LYS 646 3.060 20.280 -27.873 409 HE2 LYS 646 1HE LYS 646 4.631 19.370 -29.517 410 HE3 LYS 646 2HE LYS 646 3.413 19.501 -30.796 411 HZ1 LYS 646 1HZ LYS 646 3.480 21.878 -30.577 412 HZ2 LYS 646 2HZ LYS 646 5.012 21.317 -30.828 413 HZ3 LYS 646 3HZ LYS 646 4.554 21.794 -29.323 414 HA PRO 647 HA PRO 647 5.951 15.698 -24.141 415 HB2 PRO 647 1HB PRO 647 6.186 17.187 -21.857 416 HB3 PRO 647 2HB PRO 647 7.237 17.409 -23.294 417 HG2 PRO 647 1HG PRO 647 4.769 18.953 -22.511 418 HG3 PRO 647 2HG PRO 647 6.382 19.569 -22.993 419 HD2 PRO 647 1HD PRO 647 4.324 19.399 -24.758 420 HD3 PRO 647 2HD PRO 647 6.027 19.070 -25.253 421 H GLU 648 H GLU 648 3.223 17.591 -22.682 422 HA GLU 648 HA GLU 648 2.068 15.056 -21.737 423 HB2 GLU 648 1HB GLU 648 3.671 15.772 -19.935 424 HB3 GLU 648 2HB GLU 648 2.811 17.312 -19.837 425 HG2 GLU 648 1HG GLU 648 0.703 15.892 -19.327 426 HG3 GLU 648 2HG GLU 648 1.824 14.562 -19.041 427 H ILE 649 H ILE 649 -0.099 15.173 -21.988 428 HA ILE 649 HA ILE 649 -1.386 17.827 -21.543 429 HB ILE 649 HB ILE 649 -2.604 15.312 -22.762 430 HG12 ILE 649 1HG1 ILE 649 -1.001 16.285 -24.320 431 HG13 ILE 649 2HG1 ILE 649 -2.645 16.542 -24.887 432 HG21 ILE 649 1HG2 ILE 649 -3.753 18.106 -22.350 433 HG22 ILE 649 2HG2 ILE 649 -4.534 16.816 -23.298 434 HG23 ILE 649 3HG2 ILE 649 -4.271 16.605 -21.556 435 HD11 ILE 649 1HD1 ILE 649 -1.316 18.554 -25.284 436 HD12 ILE 649 2HD1 ILE 649 -2.545 18.914 -24.063 437 HD13 ILE 649 3HD1 ILE 649 -0.855 18.640 -23.578 438 H ARG 650 H ARG 650 -1.848 18.010 -19.512 439 HA ARG 650 HA ARG 650 -1.747 15.892 -17.583 440 HB2 ARG 650 1HB ARG 650 -2.373 17.579 -16.006 441 HB3 ARG 650 2HB ARG 650 -1.429 18.453 -17.216 442 HG2 ARG 650 1HG ARG 650 -3.683 19.145 -18.321 443 HG3 ARG 650 2HG ARG 650 -4.564 18.429 -16.960 444 HD2 ARG 650 1HD ARG 650 -2.518 20.735 -16.882 445 HD3 ARG 650 2HD ARG 650 -4.271 20.856 -16.627 446 HE ARG 650 HE ARG 650 -3.248 19.025 -14.734 447 HH11 ARG 650 1HH1 ARG 650 -2.966 22.478 -15.410 448 HH12 ARG 650 2HH1 ARG 650 -2.643 22.873 -13.742 449 HH21 ARG 650 1HH2 ARG 650 -2.819 19.601 -12.632 450 HH22 ARG 650 2HH2 ARG 650 -2.566 21.270 -12.200 451 H LEU 651 H LEU 651 -3.464 14.636 -16.708 452 HA LEU 651 HA LEU 651 -5.978 16.042 -16.667 453 HB2 LEU 651 1HB LEU 651 -5.734 13.686 -18.416 454 HB3 LEU 651 2HB LEU 651 -7.100 13.655 -17.317 455 HG LEU 651 HG LEU 651 -8.203 14.694 -18.953 456 HD11 LEU 651 1HD1 LEU 651 -8.280 16.673 -17.511 457 HD12 LEU 651 2HD1 LEU 651 -8.032 17.256 -19.155 458 HD13 LEU 651 3HD1 LEU 651 -6.647 17.257 -18.006 459 HD21 LEU 651 1HD2 LEU 651 -7.362 15.288 -20.973 460 HD22 LEU 651 2HD2 LEU 651 -5.927 14.423 -20.374 461 HD23 LEU 651 3HD2 LEU 651 -5.994 16.190 -20.292 462 HA PRO 652 HA PRO 652 -5.962 14.267 -12.733 463 HB2 PRO 652 1HB PRO 652 -8.501 14.597 -11.844 464 HB3 PRO 652 2HB PRO 652 -7.470 16.019 -12.215 465 HG2 PRO 652 1HG PRO 652 -9.528 14.673 -13.944 466 HG3 PRO 652 2HG PRO 652 -9.386 16.404 -13.520 467 HD2 PRO 652 1HD PRO 652 -8.402 15.397 -15.836 468 HD3 PRO 652 2HD PRO 652 -7.567 16.723 -14.958 469 H SER 653 H SER 653 -6.827 12.491 -11.402 470 HA SER 653 HA SER 653 -6.993 10.082 -12.787 471 HB2 SER 653 1HB SER 653 -7.740 9.195 -10.556 472 HB3 SER 653 2HB SER 653 -6.286 10.217 -10.525 473 HG SER 653 HG SER 653 -7.838 10.737 -8.886 474 H GLY 654 H GLY 654 -9.693 12.194 -11.986 475 HA2 GLY 654 1HA GLY 654 -11.624 10.014 -12.373 476 HA3 GLY 654 2HA GLY 654 -11.982 11.676 -11.913 477 H SER 655 H SER 655 -9.923 11.648 -14.650 478 HA SER 655 HA SER 655 -12.185 12.528 -16.305 479 HB2 SER 655 1HB SER 655 -9.831 13.548 -16.260 480 HB3 SER 655 2HB SER 655 -9.302 12.131 -17.181 481 HG SER 655 HG SER 655 -10.549 12.784 -18.884 482 H ASP 656 H ASP 656 -13.332 11.189 -17.660 483 HA ASP 656 HA ASP 656 -12.496 8.373 -17.835 484 HB2 ASP 656 1HB ASP 656 -14.700 7.979 -18.695 485 HB3 ASP 656 2HB ASP 656 -14.845 9.083 -17.317 486 H HIS 657 H HIS 657 -12.277 11.190 -19.804 487 HA HIS 657 HA HIS 657 -11.107 9.559 -21.954 488 HB2 HIS 657 1HB HIS 657 -12.463 10.313 -23.699 489 HB3 HIS 657 2HB HIS 657 -13.635 9.942 -22.430 490 HD1 HIS 657 HD1 HIS 657 -12.554 12.631 -24.682 491 HD2 HIS 657 HD2 HIS 657 -14.536 12.370 -21.031 492 HE1 HIS 657 HE1 HIS 657 -13.691 14.854 -24.315 493 H VAL 658 H VAL 658 -10.065 11.106 -23.589 494 HA VAL 658 HA VAL 658 -9.501 13.763 -22.363 495 HB VAL 658 HB VAL 658 -7.489 12.708 -21.756 496 HG11 VAL 658 1HG1 VAL 658 -7.830 10.544 -22.790 497 HG12 VAL 658 2HG1 VAL 658 -7.532 11.229 -24.399 498 HG13 VAL 658 3HG1 VAL 658 -6.218 11.151 -23.207 499 HG21 VAL 658 1HG2 VAL 658 -7.123 14.756 -23.207 500 HG22 VAL 658 2HG2 VAL 658 -5.752 13.636 -23.155 501 HG23 VAL 658 3HG2 VAL 658 -6.818 13.662 -24.577 502 H MET 659 H MET 659 -9.846 15.345 -23.716 503 HA MET 659 HA MET 659 -10.324 14.723 -26.578 504 HB2 MET 659 1HB MET 659 -11.947 16.117 -25.220 505 HB3 MET 659 2HB MET 659 -10.680 17.337 -25.051 506 HG2 MET 659 1HG MET 659 -11.955 18.122 -26.850 507 HG3 MET 659 2HG MET 659 -10.601 17.295 -27.652 508 HE1 MET 659 1HE MET 659 -12.451 17.370 -29.843 509 HE2 MET 659 2HE MET 659 -11.155 16.155 -29.705 510 HE3 MET 659 3HE MET 659 -12.787 15.660 -30.197 511 H LEU 660 H LEU 660 -8.536 14.777 -27.835 512 HA LEU 660 HA LEU 660 -6.349 16.691 -27.126 513 HB2 LEU 660 1HB LEU 660 -6.492 14.385 -29.088 514 HB3 LEU 660 2HB LEU 660 -5.122 15.478 -28.943 515 HG LEU 660 HG LEU 660 -6.098 13.585 -26.788 516 HD11 LEU 660 1HD1 LEU 660 -5.035 12.513 -28.737 517 HD12 LEU 660 2HD1 LEU 660 -4.024 12.399 -27.285 518 HD13 LEU 660 3HD1 LEU 660 -3.621 13.582 -28.551 519 HD21 LEU 660 1HD2 LEU 660 -3.967 14.217 -25.642 520 HD22 LEU 660 2HD2 LEU 660 -5.099 15.571 -25.757 521 HD23 LEU 660 3HD2 LEU 660 -3.705 15.480 -26.865 522 H LYS 661 H LYS 661 -5.492 18.038 -28.768 523 HA LYS 661 HA LYS 661 -6.940 18.507 -31.242 524 HB2 LYS 661 1HB LYS 661 -7.542 20.862 -30.680 525 HB3 LYS 661 2HB LYS 661 -8.509 19.679 -29.807 526 HG2 LYS 661 1HG LYS 661 -6.088 20.580 -28.366 527 HG3 LYS 661 2HG LYS 661 -7.303 21.837 -28.662 528 HD2 LYS 661 1HD LYS 661 -8.987 20.654 -27.495 529 HD3 LYS 661 2HD LYS 661 -8.076 19.133 -27.553 530 HE2 LYS 661 1HE LYS 661 -6.318 20.171 -26.144 531 HE3 LYS 661 2HE LYS 661 -7.348 21.609 -25.978 532 HZ1 LYS 661 1HZ LYS 661 -7.642 20.057 -24.126 533 HZ2 LYS 661 2HZ LYS 661 -8.102 18.851 -25.159 534 HZ3 LYS 661 3HZ LYS 661 -9.046 20.195 -24.980 535 H SER 662 H SER 662 -5.895 20.878 -31.907 536 HA SER 662 HA SER 662 -3.932 21.820 -32.678 537 HB2 SER 662 1HB SER 662 -3.722 22.428 -30.238 538 HB3 SER 662 2HB SER 662 -2.719 20.979 -30.017 539 HG SER 662 HG SER 662 -1.289 21.829 -31.583 540 H LEU 663 H LEU 663 -4.433 19.510 -33.775 541 HA LEU 663 HA LEU 663 -1.807 18.175 -34.065 542 HB2 LEU 663 1HB LEU 663 -3.040 15.970 -34.105 543 HB3 LEU 663 2HB LEU 663 -2.901 16.730 -32.532 544 HG LEU 663 HG LEU 663 -5.339 17.595 -32.966 545 HD11 LEU 663 1HD1 LEU 663 -5.145 15.290 -34.904 546 HD12 LEU 663 2HD1 LEU 663 -5.716 16.930 -35.223 547 HD13 LEU 663 3HD1 LEU 663 -6.674 15.847 -34.198 548 HD21 LEU 663 1HD2 LEU 663 -4.709 14.685 -32.374 549 HD22 LEU 663 2HD2 LEU 663 -6.173 15.569 -31.886 550 HD23 LEU 663 3HD2 LEU 663 -4.595 16.033 -31.218 551 H ASP 664 H ASP 664 -1.741 17.006 -36.159 552 HA ASP 664 HA ASP 664 -3.017 18.537 -38.255 553 HB2 ASP 664 1HB ASP 664 -1.431 15.946 -38.215 554 HB3 ASP 664 2HB ASP 664 -2.121 16.622 -39.697 555 H TRP 665 H TRP 665 -4.690 17.887 -39.644 556 HA TRP 665 HA TRP 665 -6.244 15.517 -38.666 557 HB2 TRP 665 1HB TRP 665 -8.152 16.802 -39.927 558 HB3 TRP 665 2HB TRP 665 -7.700 17.242 -38.282 559 HD1 TRP 665 HD1 TRP 665 -6.148 19.518 -38.016 560 HE1 TRP 665 HE1 TRP 665 -6.077 21.667 -39.349 561 HE3 TRP 665 HE3 TRP 665 -8.402 17.769 -42.263 562 HZ2 TRP 665 HZ2 TRP 665 -6.856 22.532 -41.963 563 HZ3 TRP 665 HZ3 TRP 665 -8.735 19.343 -44.178 564 HH2 TRP 665 HH2 TRP 665 -7.957 21.707 -44.017 565 H ASN 666 H ASN 666 -5.397 17.447 -41.566 566 HA ASN 666 HA ASN 666 -6.198 15.327 -43.403 567 HB2 ASN 666 1HB ASN 666 -5.343 16.839 -45.116 568 HB3 ASN 666 2HB ASN 666 -6.365 17.726 -43.984 569 HD21 ASN 666 1HD2 ASN 666 -2.697 19.007 -44.690 570 HD22 ASN 666 2HD2 ASN 666 -3.593 17.881 -45.686 571 H ALA 667 H ALA 667 -3.702 15.391 -41.336 572 HA ALA 667 HA ALA 667 -2.008 13.707 -43.082 573 HB1 ALA 667 1HB ALA 667 -0.905 15.916 -43.203 574 HB2 ALA 667 2HB ALA 667 -1.000 16.088 -41.438 575 HB3 ALA 667 3HB ALA 667 0.037 14.839 -42.149 576 H GLU 668 H GLU 668 -0.639 12.325 -41.574 577 HA GLU 668 HA GLU 668 -2.391 11.688 -39.322 578 HB2 GLU 668 1HB GLU 668 -1.367 9.555 -39.267 579 HB3 GLU 668 2HB GLU 668 -1.749 9.980 -40.931 580 HG2 GLU 668 1HG GLU 668 0.635 10.579 -41.297 581 HG3 GLU 668 2HG GLU 668 0.986 9.998 -39.656 582 H TYR 669 H TYR 669 -1.714 11.012 -37.303 583 HA TYR 669 HA TYR 669 0.835 12.125 -36.293 584 HB2 TYR 669 1HB TYR 669 -0.387 13.304 -34.483 585 HB3 TYR 669 2HB TYR 669 -0.777 13.968 -36.073 586 HD1 TYR 669 HD1 TYR 669 -2.988 13.509 -37.130 587 HD2 TYR 669 HD2 TYR 669 -2.076 12.205 -33.132 588 HE1 TYR 669 HE1 TYR 669 -5.397 13.170 -36.695 589 HE2 TYR 669 HE2 TYR 669 -4.507 11.886 -32.694 590 HH TYR 669 HH TYR 669 -6.967 12.666 -35.167 591 H GLU 670 H GLU 670 1.233 11.331 -34.087 592 HA GLU 670 HA GLU 670 -0.213 8.757 -33.565 593 HB2 GLU 670 1HB GLU 670 1.915 7.827 -32.794 594 HB3 GLU 670 2HB GLU 670 2.020 8.339 -34.483 595 HG2 GLU 670 1HG GLU 670 3.136 10.440 -33.740 596 HG3 GLU 670 2HG GLU 670 3.125 9.824 -32.084 597 H VAL 671 H VAL 671 -0.633 8.245 -31.445 598 HA VAL 671 HA VAL 671 -0.098 10.409 -29.428 599 HB VAL 671 HB VAL 671 -2.643 8.765 -29.822 600 HG11 VAL 671 1HG1 VAL 671 -3.606 10.231 -28.053 601 HG12 VAL 671 2HG1 VAL 671 -2.284 9.223 -27.449 602 HG13 VAL 671 3HG1 VAL 671 -1.997 10.946 -27.796 603 HG21 VAL 671 1HG2 VAL 671 -3.729 10.942 -30.364 604 HG22 VAL 671 2HG2 VAL 671 -2.131 11.720 -30.340 605 HG23 VAL 671 3HG2 VAL 671 -2.502 10.470 -31.550 606 H TYR 672 H TYR 672 0.713 9.687 -27.528 607 HA TYR 672 HA TYR 672 0.388 6.779 -26.836 608 HB2 TYR 672 1HB TYR 672 2.710 8.695 -26.453 609 HB3 TYR 672 2HB TYR 672 2.485 7.292 -25.398 610 HD1 TYR 672 HD1 TYR 672 3.208 5.141 -26.046 611 HD2 TYR 672 HD2 TYR 672 2.890 8.259 -28.982 612 HE1 TYR 672 HE1 TYR 672 4.263 3.644 -27.729 613 HE2 TYR 672 HE2 TYR 672 3.994 6.759 -30.674 614 HH TYR 672 HH TYR 672 4.947 3.404 -29.898 615 H VAL 673 H VAL 673 -0.417 6.402 -24.782 616 HA VAL 673 HA VAL 673 -0.713 8.755 -22.981 617 HB VAL 673 HB VAL 673 -2.823 8.772 -24.126 618 HG11 VAL 673 1HG1 VAL 673 -2.855 6.711 -25.315 619 HG12 VAL 673 2HG1 VAL 673 -2.834 5.754 -23.822 620 HG13 VAL 673 3HG1 VAL 673 -4.281 6.688 -24.260 621 HG21 VAL 673 1HG2 VAL 673 -2.937 8.911 -21.620 622 HG22 VAL 673 2HG2 VAL 673 -4.430 8.328 -22.386 623 HG23 VAL 673 3HG2 VAL 673 -3.341 7.184 -21.581 624 H VAL 674 H VAL 674 -0.496 8.280 -20.865 625 HA VAL 674 HA VAL 674 -0.474 5.411 -20.049 626 HB VAL 674 HB VAL 674 1.539 5.847 -18.607 627 HG11 VAL 674 1HG1 VAL 674 1.935 6.209 -21.598 628 HG12 VAL 674 2HG1 VAL 674 3.248 5.858 -20.441 629 HG13 VAL 674 3HG1 VAL 674 1.928 4.699 -20.653 630 HG21 VAL 674 1HG2 VAL 674 2.982 7.793 -19.034 631 HG22 VAL 674 2HG2 VAL 674 1.799 8.440 -20.192 632 HG23 VAL 674 3HG2 VAL 674 1.382 8.308 -18.468 633 H ALA 675 H ALA 675 -0.689 5.171 -17.736 634 HA ALA 675 HA ALA 675 -2.048 7.501 -16.426 635 HB1 ALA 675 1HB ALA 675 -3.484 5.540 -16.873 636 HB2 ALA 675 2HB ALA 675 -2.386 4.542 -15.898 637 HB3 ALA 675 3HB ALA 675 -3.275 5.884 -15.148 638 H GLU 676 H GLU 676 -1.464 7.889 -14.264 639 HA GLU 676 HA GLU 676 0.996 6.454 -13.330 640 HB2 GLU 676 1HB GLU 676 1.483 8.681 -14.318 641 HB3 GLU 676 2HB GLU 676 0.344 9.429 -13.201 642 HG2 GLU 676 1HG GLU 676 1.741 8.787 -11.325 643 HG3 GLU 676 2HG GLU 676 2.844 7.947 -12.426 644 H ASN 677 H ASN 677 0.472 5.418 -11.467 645 HA ASN 677 HA ASN 677 -1.674 6.692 -9.833 646 HB2 ASN 677 1HB ASN 677 -2.302 4.635 -8.932 647 HB3 ASN 677 2HB ASN 677 -2.094 4.318 -10.651 648 HD21 ASN 677 1HD2 ASN 677 -0.594 1.503 -8.857 649 HD22 ASN 677 2HD2 ASN 677 -2.178 2.211 -9.094 650 H GLN 678 H GLN 678 -1.148 5.818 -7.344 651 HA GLN 678 HA GLN 678 1.068 7.556 -6.750 652 HB2 GLN 678 1HB GLN 678 -1.124 7.324 -5.570 653 HB3 GLN 678 2HB GLN 678 -0.493 5.834 -4.820 654 HG2 GLN 678 1HG GLN 678 1.234 7.077 -3.664 655 HG3 GLN 678 2HG GLN 678 0.875 8.538 -4.603 656 HE21 GLN 678 1HE2 GLN 678 -1.005 7.921 -1.160 657 HE22 GLN 678 2HE2 GLN 678 0.403 7.028 -1.683 658 H GLN 679 H GLN 679 1.316 4.451 -7.808 659 HA GLN 679 HA GLN 679 3.737 3.945 -6.115 660 HB2 GLN 679 1HB GLN 679 1.457 2.240 -6.836 661 HB3 GLN 679 2HB GLN 679 3.005 1.525 -7.276 662 HG2 GLN 679 1HG GLN 679 2.460 0.758 -5.085 663 HG3 GLN 679 2HG GLN 679 3.821 1.873 -4.952 664 HE21 GLN 679 1HE2 GLN 679 0.262 3.571 -3.794 665 HE22 GLN 679 2HE2 GLN 679 0.422 2.839 -5.372 666 H GLY 680 H GLY 680 2.432 4.102 -9.421 667 HA2 GLY 680 1HA GLY 680 5.016 4.330 -10.580 668 HA3 GLY 680 2HA GLY 680 4.481 2.652 -10.721 669 H LYS 681 H LYS 681 4.438 2.914 -13.070 670 HA LYS 681 HA LYS 681 2.060 4.525 -13.958 671 HB2 LYS 681 1HB LYS 681 4.809 4.403 -15.209 672 HB3 LYS 681 2HB LYS 681 3.366 4.904 -16.100 673 HG2 LYS 681 1HG LYS 681 3.039 6.468 -13.994 674 HG3 LYS 681 2HG LYS 681 4.789 6.298 -13.870 675 HD2 LYS 681 1HD LYS 681 3.776 6.890 -16.602 676 HD3 LYS 681 2HD LYS 681 3.439 8.148 -15.405 677 HE2 LYS 681 1HE LYS 681 6.147 7.221 -15.085 678 HE3 LYS 681 2HE LYS 681 5.852 7.662 -16.779 679 HZ1 LYS 681 1HZ LYS 681 5.099 9.821 -16.064 680 HZ2 LYS 681 2HZ LYS 681 6.557 9.556 -15.338 681 HZ3 LYS 681 3HZ LYS 681 5.155 9.412 -14.470 682 H SER 682 H SER 682 1.153 4.015 -15.973 683 HA SER 682 HA SER 682 0.789 1.111 -16.154 684 HB2 SER 682 1HB SER 682 -1.161 1.609 -17.323 685 HB3 SER 682 2HB SER 682 -0.989 3.041 -16.323 686 HG SER 682 HG SER 682 -0.340 2.757 -19.067 687 H LYS 683 H LYS 683 0.773 -0.013 -18.250 688 HA LYS 683 HA LYS 683 3.121 0.565 -19.854 689 HB2 LYS 683 1HB LYS 683 1.766 -1.701 -19.583 690 HB3 LYS 683 2HB LYS 683 0.741 -0.999 -20.827 691 HG2 LYS 683 1HG LYS 683 2.966 -0.664 -22.158 692 HG3 LYS 683 2HG LYS 683 3.631 -1.843 -21.017 693 HD2 LYS 683 1HD LYS 683 2.934 -3.098 -22.908 694 HD3 LYS 683 2HD LYS 683 1.666 -3.365 -21.692 695 HE2 LYS 683 1HE LYS 683 0.272 -1.625 -22.755 696 HE3 LYS 683 2HE LYS 683 1.559 -1.291 -23.923 697 HZ1 LYS 683 1HZ LYS 683 1.289 -3.526 -24.790 698 HZ2 LYS 683 2HZ LYS 683 -0.135 -2.699 -24.874 699 HZ3 LYS 683 3HZ LYS 683 0.085 -3.847 -23.708 700 H ALA 684 H ALA 684 3.152 1.665 -21.860 701 HA ALA 684 HA ALA 684 1.081 3.635 -22.246 702 HB1 ALA 684 1HB ALA 684 2.424 4.318 -24.163 703 HB2 ALA 684 2HB ALA 684 3.496 3.994 -22.781 704 HB3 ALA 684 3HB ALA 684 3.352 2.799 -24.095 705 H ALA 685 H ALA 685 -0.407 3.858 -23.860 706 HA ALA 685 HA ALA 685 -0.770 1.534 -25.725 707 HB1 ALA 685 1HB ALA 685 -2.644 1.742 -24.006 708 HB2 ALA 685 2HB ALA 685 -2.945 3.382 -24.627 709 HB3 ALA 685 3HB ALA 685 -3.175 1.976 -25.687 710 H HIS 686 H HIS 686 -1.080 2.251 -27.899 711 HA HIS 686 HA HIS 686 -0.987 5.147 -28.359 712 HB2 HIS 686 1HB HIS 686 0.901 4.811 -29.975 713 HB3 HIS 686 2HB HIS 686 1.299 4.625 -28.270 714 HD1 HIS 686 HD1 HIS 686 1.002 2.597 -31.438 715 HD2 HIS 686 HD2 HIS 686 2.084 2.102 -27.455 716 HE1 HIS 686 HE1 HIS 686 2.101 0.330 -31.259 717 H PHE 687 H PHE 687 -1.612 5.884 -30.374 718 HA PHE 687 HA PHE 687 -2.424 3.889 -32.372 719 HB2 PHE 687 1HB PHE 687 -4.698 4.330 -32.418 720 HB3 PHE 687 2HB PHE 687 -4.356 4.282 -30.685 721 HD1 PHE 687 HD1 PHE 687 -4.100 6.491 -29.419 722 HD2 PHE 687 HD2 PHE 687 -5.625 6.244 -33.434 723 HE1 PHE 687 HE1 PHE 687 -5.195 8.715 -29.141 724 HE2 PHE 687 HE2 PHE 687 -6.706 8.451 -33.164 725 HZ PHE 687 HZ PHE 687 -6.520 9.694 -31.017 726 H VAL 688 H VAL 688 -2.994 4.870 -34.435 727 HA VAL 688 HA VAL 688 -1.810 7.593 -34.811 728 HB VAL 688 HB VAL 688 -1.592 5.143 -36.652 729 HG11 VAL 688 1HG1 VAL 688 -1.690 7.238 -37.957 730 HG12 VAL 688 2HG1 VAL 688 -0.394 7.939 -36.958 731 HG13 VAL 688 3HG1 VAL 688 -0.059 6.552 -38.017 732 HG21 VAL 688 1HG2 VAL 688 0.861 5.279 -36.164 733 HG22 VAL 688 2HG2 VAL 688 0.524 6.531 -34.950 734 HG23 VAL 688 3HG2 VAL 688 -0.103 4.883 -34.730 735 H PHE 689 H PHE 689 -3.033 8.929 -36.235 736 HA PHE 689 HA PHE 689 -5.393 7.721 -37.571 737 HB2 PHE 689 1HB PHE 689 -6.073 8.200 -35.234 738 HB3 PHE 689 2HB PHE 689 -5.608 9.889 -35.451 739 HD1 PHE 689 HD1 PHE 689 -7.028 11.433 -36.676 740 HD2 PHE 689 HD2 PHE 689 -8.043 7.262 -36.419 741 HE1 PHE 689 HE1 PHE 689 -9.314 11.951 -37.491 742 HE2 PHE 689 HE2 PHE 689 -10.329 7.765 -37.272 743 HZ PHE 689 HZ PHE 689 -10.971 10.117 -37.805 744 H ARG 690 H ARG 690 -6.393 9.059 -39.118 745 HA ARG 690 HA ARG 690 -5.544 11.828 -39.538 746 HB2 ARG 690 1HB ARG 690 -5.196 11.159 -42.087 747 HB3 ARG 690 2HB ARG 690 -3.865 11.236 -40.955 748 HG2 ARG 690 1HG ARG 690 -3.482 9.293 -42.200 749 HG3 ARG 690 2HG ARG 690 -4.095 8.703 -40.656 750 HD2 ARG 690 1HD ARG 690 -6.302 8.355 -41.644 751 HD3 ARG 690 2HD ARG 690 -5.744 9.073 -43.170 752 HE ARG 690 HE ARG 690 -3.992 6.957 -42.504 753 HH11 ARG 690 1HH1 ARG 690 -7.359 7.367 -43.531 754 HH12 ARG 690 2HH1 ARG 690 -7.406 5.796 -44.286 755 HH21 ARG 690 1HH2 ARG 690 -4.128 4.992 -43.511 756 HH22 ARG 690 2HH2 ARG 690 -5.607 4.478 -44.281 757 H THR 691 H THR 691 -7.028 12.844 -41.092 758 HA THR 691 HA THR 691 -9.387 11.236 -41.905 759 HB THR 691 HB THR 691 -9.980 11.882 -39.610 760 HG1 THR 691 HG1 THR 691 -11.750 13.399 -40.177 761 HG21 THR 691 1HG2 THR 691 -9.115 14.651 -40.478 762 HG22 THR 691 2HG2 THR 691 -8.544 13.697 -39.097 763 HG23 THR 691 3HG2 THR 691 -10.186 14.378 -39.086 764 H HIS 692 H HIS 692 -10.968 12.956 -43.023 765 HA HIS 692 HA HIS 692 -11.257 14.279 -44.873 766 HB2 HIS 692 1HB HIS 692 -9.110 16.038 -43.659 767 HB3 HIS 692 2HB HIS 692 -10.406 16.525 -44.757 768 HD1 HIS 692 HD1 HIS 692 -12.967 15.891 -43.575 769 HD2 HIS 692 HD2 HIS 692 -9.695 16.663 -41.135 770 HE1 HIS 692 HE1 HIS 692 -13.883 16.501 -41.296 771 H HIS 693 H HIS 693 -9.110 12.217 -45.094 772 HA HIS 693 HA HIS 693 -7.008 13.398 -46.729 773 HB2 HIS 693 1HB HIS 693 -6.492 10.858 -47.019 774 HB3 HIS 693 2HB HIS 693 -6.268 11.621 -45.445 775 HD1 HIS 693 HD1 HIS 693 -9.084 9.678 -47.200 776 HD2 HIS 693 HD2 HIS 693 -7.422 10.280 -43.439 777 HE1 HIS 693 HE1 HIS 693 -10.324 8.158 -45.613 778 H HIS 694 H HIS 694 -8.832 14.342 -48.141 779 HA HIS 694 HA HIS 694 -9.284 12.473 -50.442 780 HB2 HIS 694 1HB HIS 694 -11.182 14.622 -49.419 781 HB3 HIS 694 2HB HIS 694 -11.449 13.571 -50.816 782 HD1 HIS 694 HD1 HIS 694 -13.150 13.801 -47.984 783 HD2 HIS 694 HD2 HIS 694 -10.646 10.733 -49.253 784 HE1 HIS 694 HE1 HIS 694 -13.842 11.727 -46.717 785 H HIS 695 H HIS 695 -9.121 13.525 -52.503 786 HA HIS 695 HA HIS 695 -7.294 15.770 -52.496 787 HB2 HIS 695 1HB HIS 695 -7.428 13.841 -54.183 788 HB3 HIS 695 2HB HIS 695 -8.828 14.672 -54.871 789 HD1 HIS 695 HD1 HIS 695 -8.239 17.250 -55.751 790 HD2 HIS 695 HD2 HIS 695 -5.044 14.670 -55.107 791 HE1 HIS 695 HE1 HIS 695 -6.255 18.244 -56.945 792 H HIS 696 H HIS 696 -7.732 17.914 -52.827 793 HA HIS 696 HA HIS 696 -10.447 18.840 -52.490 794 HB2 HIS 696 1HB HIS 696 -8.537 20.094 -51.601 795 HB3 HIS 696 2HB HIS 696 -7.840 20.240 -53.217 796 HD1 HIS 696 HD1 HIS 696 -11.536 20.959 -52.724 797 HD2 HIS 696 HD2 HIS 696 -7.935 22.991 -53.151 798 HE1 HIS 696 HE1 HIS 696 -12.114 23.382 -53.123 799 H HIS 697 H HIS 697 -11.924 19.324 -53.970 800 HA HIS 697 HA HIS 697 -11.199 19.958 -56.756 801 HB2 HIS 697 1HB HIS 697 -13.178 17.797 -55.881 802 HB3 HIS 697 2HB HIS 697 -13.074 18.465 -57.515 803 HD1 HIS 697 HD1 HIS 697 -10.401 18.189 -58.516 804 HD2 HIS 697 HD2 HIS 697 -11.807 15.493 -55.684 805 HE1 HIS 697 HE1 HIS 697 -8.950 16.130 -58.695 Start of MODEL 13 1 H1 MET 595 1H MET 595 2.445 1.331 0.506 2 H2 MET 595 2H MET 595 1.657 -0.088 0.213 3 H3 MET 595 3H MET 595 3.263 -0.098 0.595 4 HA MET 595 HA MET 595 2.083 1.081 -1.823 5 HB2 MET 595 1HB MET 595 4.419 1.329 -2.591 6 HB3 MET 595 2HB MET 595 4.024 2.317 -1.185 7 HG2 MET 595 1HG MET 595 5.163 0.644 0.280 8 HG3 MET 595 2HG MET 595 5.650 -0.245 -1.178 9 HE1 MET 595 1HE MET 595 9.034 1.443 -0.150 10 HE2 MET 595 2HE MET 595 7.811 0.714 0.915 11 HE3 MET 595 3HE MET 595 8.240 -0.077 -0.623 12 H GLN 596 H GLN 596 4.044 -1.728 -0.529 13 HA GLN 596 HA GLN 596 4.257 -3.025 -3.003 14 HB2 GLN 596 1HB GLN 596 4.114 -4.130 -0.193 15 HB3 GLN 596 2HB GLN 596 4.530 -5.101 -1.608 16 HG2 GLN 596 1HG GLN 596 6.633 -4.384 -1.605 17 HG3 GLN 596 2HG GLN 596 6.143 -2.687 -1.530 18 HE21 GLN 596 1HE2 GLN 596 7.756 -4.384 1.677 19 HE22 GLN 596 2HE2 GLN 596 7.843 -5.030 0.056 20 HA PRO 597 HA PRO 597 0.530 -5.691 -2.330 21 HB2 PRO 597 1HB PRO 597 -1.767 -4.820 -1.188 22 HB3 PRO 597 2HB PRO 597 -0.421 -5.497 -0.214 23 HG2 PRO 597 1HG PRO 597 -1.054 -2.620 -0.800 24 HG3 PRO 597 2HG PRO 597 -0.797 -3.417 0.786 25 HD2 PRO 597 1HD PRO 597 1.200 -2.102 -0.464 26 HD3 PRO 597 2HD PRO 597 1.516 -3.619 0.443 27 H VAL 598 H VAL 598 0.473 -2.408 -3.384 28 HA VAL 598 HA VAL 598 -1.815 -3.001 -5.205 29 HB VAL 598 HB VAL 598 -2.608 -0.992 -4.595 30 HG11 VAL 598 1HG1 VAL 598 0.056 -0.305 -3.309 31 HG12 VAL 598 2HG1 VAL 598 -1.451 0.612 -3.131 32 HG13 VAL 598 3HG1 VAL 598 -1.354 -1.038 -2.498 33 HG21 VAL 598 1HG2 VAL 598 -0.112 0.202 -5.859 34 HG22 VAL 598 2HG2 VAL 598 -1.587 -0.268 -6.726 35 HG23 VAL 598 3HG2 VAL 598 -1.642 1.044 -5.545 36 H ARG 599 H ARG 599 -1.474 -3.086 -7.369 37 HA ARG 599 HA ARG 599 1.371 -3.029 -8.209 38 HB2 ARG 599 1HB ARG 599 0.595 -4.221 -10.184 39 HB3 ARG 599 2HB ARG 599 -0.005 -5.013 -8.722 40 HG2 ARG 599 1HG ARG 599 -2.227 -3.974 -9.053 41 HG3 ARG 599 2HG ARG 599 -1.628 -3.140 -10.493 42 HD2 ARG 599 1HD ARG 599 -2.851 -5.050 -11.238 43 HD3 ARG 599 2HD ARG 599 -1.137 -5.385 -11.518 44 HE ARG 599 HE ARG 599 -2.881 -6.586 -9.420 45 HH11 ARG 599 1HH1 ARG 599 0.230 -6.628 -11.102 46 HH12 ARG 599 2HH1 ARG 599 0.685 -8.161 -10.406 47 HH21 ARG 599 1HH2 ARG 599 -2.227 -8.525 -8.577 48 HH22 ARG 599 2HH2 ARG 599 -0.688 -9.217 -9.013 49 H GLU 600 H GLU 600 1.865 -2.150 -10.367 50 HA GLU 600 HA GLU 600 1.065 0.584 -10.611 51 HB2 GLU 600 1HB GLU 600 2.372 -1.283 -12.637 52 HB3 GLU 600 2HB GLU 600 2.272 0.474 -12.770 53 HG2 GLU 600 1HG GLU 600 3.549 0.621 -10.614 54 HG3 GLU 600 2HG GLU 600 3.816 -1.123 -10.720 55 HA PRO 601 HA PRO 601 -2.647 -0.041 -12.817 56 HB2 PRO 601 1HB PRO 601 -2.803 2.111 -14.531 57 HB3 PRO 601 2HB PRO 601 -3.090 2.193 -12.768 58 HG2 PRO 601 1HG PRO 601 -0.629 2.886 -14.308 59 HG3 PRO 601 2HG PRO 601 -1.411 3.778 -12.984 60 HD2 PRO 601 1HD PRO 601 0.770 2.204 -12.655 61 HD3 PRO 601 2HD PRO 601 -0.476 2.415 -11.384 62 H SER 602 H SER 602 -3.633 -0.625 -14.758 63 HA SER 602 HA SER 602 -1.940 -2.055 -16.603 64 HB2 SER 602 1HB SER 602 -4.933 -1.507 -16.634 65 HB3 SER 602 2HB SER 602 -4.083 -2.653 -17.686 66 HG SER 602 HG SER 602 -4.458 -2.748 -14.873 67 H ALA 603 H ALA 603 -1.901 -1.738 -18.920 68 HA ALA 603 HA ALA 603 -1.343 0.875 -19.756 69 HB1 ALA 603 1HB ALA 603 -2.416 -1.382 -21.518 70 HB2 ALA 603 2HB ALA 603 -1.409 -0.008 -22.033 71 HB3 ALA 603 3HB ALA 603 -0.725 -1.261 -20.976 72 HA PRO 604 HA PRO 604 -5.298 2.691 -19.932 73 HB2 PRO 604 1HB PRO 604 -5.016 4.646 -21.841 74 HB3 PRO 604 2HB PRO 604 -4.228 4.731 -20.235 75 HG2 PRO 604 1HG PRO 604 -3.126 3.768 -22.806 76 HG3 PRO 604 2HG PRO 604 -2.463 4.960 -21.656 77 HD2 PRO 604 1HD PRO 604 -1.612 2.435 -21.661 78 HD3 PRO 604 2HD PRO 604 -1.863 3.319 -20.113 79 H LYS 605 H LYS 605 -7.201 3.095 -21.168 80 HA LYS 605 HA LYS 605 -7.542 0.955 -23.203 81 HB2 LYS 605 1HB LYS 605 -9.263 2.511 -21.308 82 HB3 LYS 605 2HB LYS 605 -10.014 2.037 -22.830 83 HG2 LYS 605 1HG LYS 605 -10.444 0.400 -20.997 84 HG3 LYS 605 2HG LYS 605 -9.642 -0.311 -22.398 85 HD2 LYS 605 1HD LYS 605 -8.646 -1.252 -20.414 86 HD3 LYS 605 2HD LYS 605 -7.448 -0.209 -21.180 87 HE2 LYS 605 1HE LYS 605 -8.036 1.597 -19.528 88 HE3 LYS 605 2HE LYS 605 -9.132 0.449 -18.726 89 HZ1 LYS 605 1HZ LYS 605 -7.220 -1.001 -18.367 90 HZ2 LYS 605 2HZ LYS 605 -6.954 0.467 -17.667 91 HZ3 LYS 605 3HZ LYS 605 -6.204 0.082 -19.090 92 H LEU 606 H LEU 606 -8.601 1.445 -25.261 93 HA LEU 606 HA LEU 606 -8.655 4.291 -26.005 94 HB2 LEU 606 1HB LEU 606 -6.324 3.461 -26.366 95 HB3 LEU 606 2HB LEU 606 -6.943 2.241 -27.459 96 HG LEU 606 HG LEU 606 -5.805 4.354 -28.389 97 HD11 LEU 606 1HD1 LEU 606 -6.877 2.727 -29.832 98 HD12 LEU 606 2HD1 LEU 606 -7.235 4.368 -30.403 99 HD13 LEU 606 3HD1 LEU 606 -8.470 3.442 -29.529 100 HD21 LEU 606 1HD2 LEU 606 -7.215 6.281 -28.822 101 HD22 LEU 606 2HD2 LEU 606 -7.096 5.993 -27.075 102 HD23 LEU 606 3HD2 LEU 606 -8.568 5.541 -27.954 103 H GLU 607 H GLU 607 -10.294 4.687 -27.333 104 HA GLU 607 HA GLU 607 -11.569 2.405 -28.789 105 HB2 GLU 607 1HB GLU 607 -12.710 4.962 -27.634 106 HB3 GLU 607 2HB GLU 607 -13.591 3.934 -28.772 107 HG2 GLU 607 1HG GLU 607 -13.460 2.050 -27.202 108 HG3 GLU 607 2HG GLU 607 -12.570 3.067 -26.052 109 H GLY 608 H GLY 608 -10.191 5.643 -29.014 110 HA2 GLY 608 1HA GLY 608 -9.546 6.844 -30.871 111 HA3 GLY 608 2HA GLY 608 -9.892 5.406 -31.848 112 H GLN 609 H GLN 609 -11.937 7.614 -29.848 113 HA GLN 609 HA GLN 609 -14.068 7.417 -31.828 114 HB2 GLN 609 1HB GLN 609 -13.718 9.165 -29.374 115 HB3 GLN 609 2HB GLN 609 -15.168 9.147 -30.372 116 HG2 GLN 609 1HG GLN 609 -14.094 6.754 -28.807 117 HG3 GLN 609 2HG GLN 609 -15.408 7.807 -28.295 118 HE21 GLN 609 1HE2 GLN 609 -16.745 4.736 -29.790 119 HE22 GLN 609 2HE2 GLN 609 -15.648 5.152 -28.475 120 H MET 610 H MET 610 -14.061 8.498 -33.638 121 HA MET 610 HA MET 610 -12.000 10.269 -34.367 122 HB2 MET 610 1HB MET 610 -14.758 10.008 -35.620 123 HB3 MET 610 2HB MET 610 -13.302 10.648 -36.394 124 HG2 MET 610 1HG MET 610 -12.235 8.385 -36.035 125 HG3 MET 610 2HG MET 610 -13.819 7.794 -35.511 126 HE1 MET 610 1HE MET 610 -14.036 5.936 -37.335 127 HE2 MET 610 2HE MET 610 -13.665 6.193 -39.056 128 HE3 MET 610 3HE MET 610 -12.373 6.318 -37.840 129 H GLY 611 H GLY 611 -11.784 12.446 -34.561 130 HA2 GLY 611 1HA GLY 611 -13.603 14.067 -32.940 131 HA3 GLY 611 2HA GLY 611 -12.103 14.595 -33.712 132 H GLU 612 H GLU 612 -15.547 14.106 -34.094 133 HA GLU 612 HA GLU 612 -15.748 14.824 -36.880 134 HB2 GLU 612 1HB GLU 612 -18.109 15.103 -36.412 135 HB3 GLU 612 2HB GLU 612 -17.520 13.675 -35.560 136 HG2 GLU 612 1HG GLU 612 -17.262 15.838 -33.731 137 HG3 GLU 612 2HG GLU 612 -18.842 16.027 -34.500 138 H ASP 613 H ASP 613 -15.015 16.502 -34.044 139 HA ASP 613 HA ASP 613 -15.922 19.156 -34.614 140 HB2 ASP 613 1HB ASP 613 -13.388 18.633 -33.102 141 HB3 ASP 613 2HB ASP 613 -14.718 19.690 -32.674 142 H GLY 614 H GLY 614 -13.272 17.196 -35.719 143 HA2 GLY 614 1HA GLY 614 -11.629 17.660 -37.288 144 HA3 GLY 614 2HA GLY 614 -12.224 19.328 -37.419 145 H ASN 615 H ASN 615 -9.463 18.442 -37.244 146 HA ASN 615 HA ASN 615 -7.501 18.963 -36.207 147 HB2 ASN 615 1HB ASN 615 -8.975 21.219 -36.446 148 HB3 ASN 615 2HB ASN 615 -8.715 21.235 -34.698 149 HD21 ASN 615 1HD2 ASN 615 -5.114 21.506 -35.107 150 HD22 ASN 615 2HD2 ASN 615 -6.304 20.600 -34.181 151 H SER 616 H SER 616 -9.557 17.279 -34.574 152 HA SER 616 HA SER 616 -7.997 17.195 -32.090 153 HB2 SER 616 1HB SER 616 -10.037 17.528 -30.702 154 HB3 SER 616 2HB SER 616 -9.621 18.978 -31.638 155 HG SER 616 HG SER 616 -11.226 18.506 -33.092 156 H ILE 617 H ILE 617 -9.016 15.448 -30.589 157 HA ILE 617 HA ILE 617 -10.750 13.476 -31.875 158 HB ILE 617 HB ILE 617 -8.520 12.962 -32.856 159 HG12 ILE 617 1HG1 ILE 617 -9.224 10.671 -31.049 160 HG13 ILE 617 2HG1 ILE 617 -10.416 11.284 -32.192 161 HG21 ILE 617 1HG2 ILE 617 -7.087 13.627 -30.926 162 HG22 ILE 617 2HG2 ILE 617 -7.664 12.207 -30.028 163 HG23 ILE 617 3HG2 ILE 617 -6.710 12.000 -31.514 164 HD11 ILE 617 1HD1 ILE 617 -9.153 9.353 -33.044 165 HD12 ILE 617 2HD1 ILE 617 -9.017 10.805 -34.057 166 HD13 ILE 617 3HD1 ILE 617 -7.672 10.340 -32.993 167 H LYS 618 H LYS 618 -11.463 11.817 -30.366 168 HA LYS 618 HA LYS 618 -10.961 12.614 -27.517 169 HB2 LYS 618 1HB LYS 618 -13.282 10.982 -28.599 170 HB3 LYS 618 2HB LYS 618 -13.130 11.699 -27.007 171 HG2 LYS 618 1HG LYS 618 -14.621 13.170 -27.980 172 HG3 LYS 618 2HG LYS 618 -13.104 13.982 -28.388 173 HD2 LYS 618 1HD LYS 618 -13.477 13.722 -30.626 174 HD3 LYS 618 2HD LYS 618 -13.819 12.004 -30.426 175 HE2 LYS 618 1HE LYS 618 -15.803 12.764 -31.309 176 HE3 LYS 618 2HE LYS 618 -16.156 12.758 -29.580 177 HZ1 LYS 618 1HZ LYS 618 -15.932 15.131 -29.547 178 HZ2 LYS 618 2HZ LYS 618 -16.907 14.751 -30.831 179 HZ3 LYS 618 3HZ LYS 618 -15.339 15.189 -31.087 180 H VAL 619 H VAL 619 -9.573 11.237 -26.495 181 HA VAL 619 HA VAL 619 -9.564 8.392 -27.431 182 HB VAL 619 HB VAL 619 -7.361 8.586 -27.795 183 HG11 VAL 619 1HG1 VAL 619 -6.042 10.626 -27.360 184 HG12 VAL 619 2HG1 VAL 619 -7.595 11.009 -28.118 185 HG13 VAL 619 3HG1 VAL 619 -7.361 11.284 -26.375 186 HG21 VAL 619 1HG2 VAL 619 -7.066 9.187 -24.826 187 HG22 VAL 619 2HG2 VAL 619 -7.154 7.577 -25.560 188 HG23 VAL 619 3HG2 VAL 619 -5.778 8.638 -25.917 189 H ASN 620 H ASN 620 -9.836 6.817 -25.963 190 HA ASN 620 HA ASN 620 -11.300 7.438 -23.592 191 HB2 ASN 620 1HB ASN 620 -10.644 5.149 -25.171 192 HB3 ASN 620 2HB ASN 620 -10.161 4.792 -23.510 193 HD21 ASN 620 1HD2 ASN 620 -14.089 5.476 -24.380 194 HD22 ASN 620 2HD2 ASN 620 -12.850 6.245 -25.319 195 H LEU 621 H LEU 621 -10.794 7.195 -21.407 196 HA LEU 621 HA LEU 621 -7.919 6.743 -20.811 197 HB2 LEU 621 1HB LEU 621 -9.082 9.147 -20.623 198 HB3 LEU 621 2HB LEU 621 -9.525 8.525 -19.049 199 HG LEU 621 HG LEU 621 -7.237 8.406 -18.372 200 HD11 LEU 621 1HD1 LEU 621 -6.051 7.576 -20.289 201 HD12 LEU 621 2HD1 LEU 621 -5.373 9.166 -19.907 202 HD13 LEU 621 3HD1 LEU 621 -6.511 8.988 -21.264 203 HD21 LEU 621 1HD2 LEU 621 -8.284 10.597 -18.295 204 HD22 LEU 621 2HD2 LEU 621 -7.840 10.925 -19.982 205 HD23 LEU 621 3HD2 LEU 621 -6.584 10.806 -18.734 206 H ILE 622 H ILE 622 -7.828 6.417 -18.254 207 HA ILE 622 HA ILE 622 -9.381 4.000 -17.722 208 HB ILE 622 HB ILE 622 -7.335 5.578 -16.089 209 HG12 ILE 622 1HG1 ILE 622 -6.106 3.324 -16.333 210 HG13 ILE 622 2HG1 ILE 622 -7.237 2.991 -17.643 211 HG21 ILE 622 1HG2 ILE 622 -8.830 4.554 -14.505 212 HG22 ILE 622 2HG2 ILE 622 -8.735 3.002 -15.374 213 HG23 ILE 622 3HG2 ILE 622 -7.318 3.647 -14.543 214 HD11 ILE 622 1HD1 ILE 622 -6.332 4.678 -18.983 215 HD12 ILE 622 2HD1 ILE 622 -5.560 5.488 -17.610 216 HD13 ILE 622 3HD1 ILE 622 -4.923 3.943 -18.182 217 H LYS 623 H LYS 623 -11.351 3.998 -16.766 218 HA LYS 623 HA LYS 623 -12.008 6.257 -14.956 219 HB2 LYS 623 1HB LYS 623 -14.489 5.715 -15.716 220 HB3 LYS 623 2HB LYS 623 -13.449 6.865 -16.534 221 HG2 LYS 623 1HG LYS 623 -14.533 5.638 -18.225 222 HG3 LYS 623 2HG LYS 623 -12.865 5.064 -18.209 223 HD2 LYS 623 1HD LYS 623 -13.601 3.134 -16.823 224 HD3 LYS 623 2HD LYS 623 -15.274 3.704 -16.973 225 HE2 LYS 623 1HE LYS 623 -15.132 3.523 -19.417 226 HE3 LYS 623 2HE LYS 623 -13.430 3.027 -19.294 227 HZ1 LYS 623 1HZ LYS 623 -14.164 1.086 -18.024 228 HZ2 LYS 623 2HZ LYS 623 -14.847 1.107 -19.532 229 HZ3 LYS 623 3HZ LYS 623 -15.745 1.528 -18.215 230 H GLN 624 H GLN 624 -11.022 3.368 -14.581 231 HA GLN 624 HA GLN 624 -12.748 2.869 -12.227 232 HB2 GLN 624 1HB GLN 624 -13.045 0.536 -12.706 233 HB3 GLN 624 2HB GLN 624 -13.665 1.436 -14.087 234 HG2 GLN 624 1HG GLN 624 -10.867 0.227 -14.074 235 HG3 GLN 624 2HG GLN 624 -12.290 -0.700 -14.549 236 HE21 GLN 624 1HE2 GLN 624 -10.510 1.726 -17.177 237 HE22 GLN 624 2HE2 GLN 624 -9.844 1.360 -15.599 238 H ASP 625 H ASP 625 -11.538 1.201 -10.752 239 HA ASP 625 HA ASP 625 -8.775 1.954 -10.553 240 HB2 ASP 625 1HB ASP 625 -10.573 0.017 -9.207 241 HB3 ASP 625 2HB ASP 625 -8.866 -0.452 -9.256 242 H ASP 626 H ASP 626 -7.031 1.227 -11.605 243 HA ASP 626 HA ASP 626 -7.547 -0.785 -13.704 244 HB2 ASP 626 1HB ASP 626 -6.223 1.712 -13.533 245 HB3 ASP 626 2HB ASP 626 -4.999 0.504 -13.932 246 H GLY 627 H GLY 627 -6.399 -1.092 -10.695 247 HA2 GLY 627 1HA GLY 627 -5.164 -3.555 -11.195 248 HA3 GLY 627 2HA GLY 627 -3.861 -2.356 -11.083 249 H GLY 628 H GLY 628 -3.627 -1.125 -9.163 250 HA2 GLY 628 1HA GLY 628 -4.415 -2.789 -6.829 251 HA3 GLY 628 2HA GLY 628 -2.984 -1.789 -6.933 252 H SER 629 H SER 629 -4.425 0.570 -7.947 253 HA SER 629 HA SER 629 -6.279 1.335 -5.810 254 HB2 SER 629 1HB SER 629 -3.477 2.547 -6.056 255 HB3 SER 629 2HB SER 629 -4.782 3.208 -5.056 256 HG SER 629 HG SER 629 -4.549 0.636 -4.461 257 HA PRO 630 HA PRO 630 -7.399 3.979 -9.133 258 HB2 PRO 630 1HB PRO 630 -7.995 6.419 -8.026 259 HB3 PRO 630 2HB PRO 630 -9.044 4.977 -7.839 260 HG2 PRO 630 1HG PRO 630 -6.937 6.016 -5.966 261 HG3 PRO 630 2HG PRO 630 -8.652 5.609 -5.623 262 HD2 PRO 630 1HD PRO 630 -6.724 3.844 -5.095 263 HD3 PRO 630 2HD PRO 630 -8.257 3.290 -5.855 264 H ILE 631 H ILE 631 -6.748 5.665 -10.479 265 HA ILE 631 HA ILE 631 -3.931 6.144 -10.562 266 HB ILE 631 HB ILE 631 -6.373 6.892 -12.165 267 HG12 ILE 631 1HG1 ILE 631 -4.939 6.016 -14.013 268 HG13 ILE 631 2HG1 ILE 631 -3.634 5.748 -12.859 269 HG21 ILE 631 1HG2 ILE 631 -3.695 8.285 -12.575 270 HG22 ILE 631 2HG2 ILE 631 -5.043 8.333 -13.684 271 HG23 ILE 631 3HG2 ILE 631 -5.215 9.065 -12.100 272 HD11 ILE 631 1HD1 ILE 631 -4.856 3.995 -11.759 273 HD12 ILE 631 2HD1 ILE 631 -6.354 4.410 -12.631 274 HD13 ILE 631 3HD1 ILE 631 -4.978 3.706 -13.508 275 H ARG 632 H ARG 632 -2.825 8.199 -10.465 276 HA ARG 632 HA ARG 632 -4.184 10.198 -8.674 277 HB2 ARG 632 1HB ARG 632 -1.365 9.215 -8.934 278 HB3 ARG 632 2HB ARG 632 -1.585 10.922 -8.587 279 HG2 ARG 632 1HG ARG 632 -1.169 9.594 -6.531 280 HG3 ARG 632 2HG ARG 632 -2.746 10.404 -6.488 281 HD2 ARG 632 1HD ARG 632 -2.596 7.558 -7.466 282 HD3 ARG 632 2HD ARG 632 -2.460 7.859 -5.728 283 HE ARG 632 HE ARG 632 -4.821 8.271 -7.463 284 HH11 ARG 632 1HH1 ARG 632 -3.475 8.689 -4.192 285 HH12 ARG 632 2HH1 ARG 632 -5.057 8.990 -3.519 286 HH21 ARG 632 1HH2 ARG 632 -6.739 8.660 -6.523 287 HH22 ARG 632 2HH2 ARG 632 -6.874 8.950 -4.806 288 H HIS 633 H HIS 633 -1.988 9.792 -11.529 289 HA HIS 633 HA HIS 633 -3.267 12.234 -12.685 290 HB2 HIS 633 1HB HIS 633 -0.283 11.689 -12.805 291 HB3 HIS 633 2HB HIS 633 -1.138 13.137 -13.350 292 HD1 HIS 633 HD1 HIS 633 0.757 11.872 -10.528 293 HD2 HIS 633 HD2 HIS 633 -2.390 14.538 -11.035 294 HE1 HIS 633 HE1 HIS 633 0.665 13.283 -8.443 295 H TYR 634 H TYR 634 -2.994 12.490 -15.018 296 HA TYR 634 HA TYR 634 -2.205 9.976 -16.466 297 HB2 TYR 634 1HB TYR 634 -4.324 12.026 -17.210 298 HB3 TYR 634 2HB TYR 634 -3.771 10.712 -18.254 299 HD1 TYR 634 HD1 TYR 634 -6.220 11.672 -15.904 300 HD2 TYR 634 HD2 TYR 634 -3.919 8.285 -17.203 301 HE1 TYR 634 HE1 TYR 634 -7.895 10.144 -14.879 302 HE2 TYR 634 HE2 TYR 634 -5.573 6.773 -16.113 303 HH TYR 634 HH TYR 634 -8.554 7.988 -14.597 304 H LEU 635 H LEU 635 -0.912 10.235 -18.246 305 HA LEU 635 HA LEU 635 -0.064 13.032 -18.885 306 HB2 LEU 635 1HB LEU 635 1.755 10.613 -18.743 307 HB3 LEU 635 2HB LEU 635 2.223 12.256 -19.114 308 HG LEU 635 HG LEU 635 1.238 12.648 -16.624 309 HD11 LEU 635 1HD1 LEU 635 2.357 9.808 -16.555 310 HD12 LEU 635 2HD1 LEU 635 0.672 10.267 -16.230 311 HD13 LEU 635 3HD1 LEU 635 1.958 10.813 -15.141 312 HD21 LEU 635 1HD2 LEU 635 3.572 12.520 -15.851 313 HD22 LEU 635 2HD2 LEU 635 3.474 13.266 -17.451 314 HD23 LEU 635 3HD2 LEU 635 4.009 11.578 -17.299 315 H VAL 636 H VAL 636 -0.219 13.452 -21.040 316 HA VAL 636 HA VAL 636 -0.269 11.111 -22.919 317 HB VAL 636 HB VAL 636 -1.872 13.667 -23.336 318 HG11 VAL 636 1HG1 VAL 636 -1.943 10.913 -24.632 319 HG12 VAL 636 2HG1 VAL 636 -3.147 12.183 -24.924 320 HG13 VAL 636 3HG1 VAL 636 -1.453 12.449 -25.391 321 HG21 VAL 636 1HG2 VAL 636 -3.889 12.276 -22.688 322 HG22 VAL 636 2HG2 VAL 636 -2.769 11.059 -22.045 323 HG23 VAL 636 3HG2 VAL 636 -2.822 12.691 -21.338 324 H ARG 637 H ARG 637 0.833 11.344 -24.850 325 HA ARG 637 HA ARG 637 2.124 13.981 -25.451 326 HB2 ARG 637 1HB ARG 637 3.811 12.762 -24.195 327 HB3 ARG 637 2HB ARG 637 3.491 11.276 -25.109 328 HG2 ARG 637 1HG ARG 637 4.464 12.107 -27.061 329 HG3 ARG 637 2HG ARG 637 4.475 13.770 -26.478 330 HD2 ARG 637 1HD ARG 637 6.120 11.526 -25.281 331 HD3 ARG 637 2HD ARG 637 6.713 12.679 -26.493 332 HE ARG 637 HE ARG 637 5.598 14.116 -24.282 333 HH11 ARG 637 1HH1 ARG 637 8.477 12.243 -25.126 334 HH12 ARG 637 2HH1 ARG 637 9.460 13.055 -23.939 335 HH21 ARG 637 1HH2 ARG 637 6.883 15.074 -22.795 336 HH22 ARG 637 2HH2 ARG 637 8.577 14.652 -22.647 337 H TYR 638 H TYR 638 2.152 14.339 -27.693 338 HA TYR 638 HA TYR 638 1.697 12.023 -29.463 339 HB2 TYR 638 1HB TYR 638 -0.187 13.132 -30.616 340 HB3 TYR 638 2HB TYR 638 -0.565 12.675 -28.960 341 HD1 TYR 638 HD1 TYR 638 -0.716 15.309 -31.369 342 HD2 TYR 638 HD2 TYR 638 -0.367 14.595 -27.133 343 HE1 TYR 638 HE1 TYR 638 -1.594 17.606 -30.890 344 HE2 TYR 638 HE2 TYR 638 -1.209 16.890 -26.692 345 HH TYR 638 HH TYR 638 -2.348 19.050 -29.259 346 H ARG 639 H ARG 639 1.921 12.606 -31.771 347 HA ARG 639 HA ARG 639 3.422 15.093 -32.376 348 HB2 ARG 639 1HB ARG 639 5.223 13.814 -31.533 349 HB3 ARG 639 2HB ARG 639 4.647 12.329 -32.235 350 HG2 ARG 639 1HG ARG 639 5.409 14.451 -34.164 351 HG3 ARG 639 2HG ARG 639 6.716 13.759 -33.196 352 HD2 ARG 639 1HD ARG 639 6.592 11.734 -34.211 353 HD3 ARG 639 2HD ARG 639 4.820 11.765 -34.275 354 HE ARG 639 HE ARG 639 5.793 13.693 -36.109 355 HH11 ARG 639 1HH1 ARG 639 5.647 10.156 -35.772 356 HH12 ARG 639 2HH1 ARG 639 5.700 9.927 -37.508 357 HH21 ARG 639 1HH2 ARG 639 5.833 13.308 -38.256 358 HH22 ARG 639 2HH2 ARG 639 5.798 11.680 -38.890 359 H ALA 640 H ALA 640 3.534 15.418 -34.662 360 HA ALA 640 HA ALA 640 2.004 13.474 -36.330 361 HB1 ALA 640 1HB ALA 640 1.518 16.453 -36.366 362 HB2 ALA 640 2HB ALA 640 0.571 15.164 -37.141 363 HB3 ALA 640 3HB ALA 640 0.549 15.344 -35.375 364 H LEU 641 H LEU 641 1.961 14.789 -38.693 365 HA LEU 641 HA LEU 641 4.652 14.581 -39.624 366 HB2 LEU 641 1HB LEU 641 2.025 15.427 -40.714 367 HB3 LEU 641 2HB LEU 641 3.412 16.173 -41.488 368 HG LEU 641 HG LEU 641 2.613 14.231 -42.719 369 HD11 LEU 641 1HD1 LEU 641 5.009 14.880 -42.806 370 HD12 LEU 641 2HD1 LEU 641 4.757 13.143 -43.075 371 HD13 LEU 641 3HD1 LEU 641 5.358 13.720 -41.504 372 HD21 LEU 641 1HD2 LEU 641 2.867 11.955 -41.892 373 HD22 LEU 641 2HD2 LEU 641 1.782 12.871 -40.828 374 HD23 LEU 641 3HD2 LEU 641 3.454 12.553 -40.324 375 H SER 642 H SER 642 2.631 17.445 -38.847 376 HA SER 642 HA SER 642 5.083 19.144 -39.104 377 HB2 SER 642 1HB SER 642 3.012 19.736 -40.374 378 HB3 SER 642 2HB SER 642 2.166 19.944 -38.828 379 HG SER 642 HG SER 642 2.970 21.921 -39.623 380 H SER 643 H SER 643 2.597 18.110 -36.771 381 HA SER 643 HA SER 643 3.524 19.977 -34.732 382 HB2 SER 643 1HB SER 643 1.788 17.493 -34.472 383 HB3 SER 643 2HB SER 643 2.042 18.714 -33.218 384 HG SER 643 HG SER 643 0.786 19.070 -35.764 385 H GLU 644 H GLU 644 5.124 19.722 -33.274 386 HA GLU 644 HA GLU 644 6.874 17.421 -33.493 387 HB2 GLU 644 1HB GLU 644 8.328 18.628 -32.162 388 HB3 GLU 644 2HB GLU 644 7.444 19.900 -32.990 389 HG2 GLU 644 1HG GLU 644 6.963 18.986 -30.106 390 HG3 GLU 644 2HG GLU 644 7.898 20.394 -30.584 391 H TRP 645 H TRP 645 7.679 16.419 -31.267 392 HA TRP 645 HA TRP 645 5.513 15.045 -29.977 393 HB2 TRP 645 1HB TRP 645 8.437 15.465 -29.259 394 HB3 TRP 645 2HB TRP 645 7.328 14.548 -28.233 395 HD1 TRP 645 HD1 TRP 645 9.630 14.067 -31.104 396 HE1 TRP 645 HE1 TRP 645 9.416 11.743 -32.121 397 HE3 TRP 645 HE3 TRP 645 5.271 12.708 -28.830 398 HZ2 TRP 645 HZ2 TRP 645 7.584 9.554 -31.963 399 HZ3 TRP 645 HZ3 TRP 645 4.317 10.439 -29.293 400 HH2 TRP 645 HH2 TRP 645 5.482 8.885 -30.856 401 H LYS 646 H LYS 646 3.986 16.338 -29.059 402 HA LYS 646 HA LYS 646 4.594 18.783 -27.695 403 HB2 LYS 646 1HB LYS 646 2.185 17.059 -27.044 404 HB3 LYS 646 2HB LYS 646 2.320 18.815 -26.984 405 HG2 LYS 646 1HG LYS 646 2.119 17.048 -29.450 406 HG3 LYS 646 2HG LYS 646 0.930 18.185 -28.857 407 HD2 LYS 646 1HD LYS 646 3.638 19.049 -29.882 408 HD3 LYS 646 2HD LYS 646 2.224 18.862 -30.913 409 HE2 LYS 646 1HE LYS 646 1.006 20.530 -29.554 410 HE3 LYS 646 2HE LYS 646 2.471 20.756 -28.558 411 HZ1 LYS 646 1HZ LYS 646 2.310 21.199 -31.489 412 HZ2 LYS 646 2HZ LYS 646 3.671 21.379 -30.573 413 HZ3 LYS 646 3HZ LYS 646 2.380 22.387 -30.346 414 HA PRO 647 HA PRO 647 6.465 17.188 -24.213 415 HB2 PRO 647 1HB PRO 647 5.829 18.891 -22.135 416 HB3 PRO 647 2HB PRO 647 6.951 19.300 -23.472 417 HG2 PRO 647 1HG PRO 647 4.023 19.975 -23.202 418 HG3 PRO 647 2HG PRO 647 5.394 21.046 -23.632 419 HD2 PRO 647 1HD PRO 647 3.790 19.981 -25.523 420 HD3 PRO 647 2HD PRO 647 5.564 20.151 -25.793 421 H GLU 648 H GLU 648 3.320 18.260 -22.752 422 HA GLU 648 HA GLU 648 2.619 15.496 -22.088 423 HB2 GLU 648 1HB GLU 648 4.280 16.144 -20.301 424 HB3 GLU 648 2HB GLU 648 3.258 17.530 -19.910 425 HG2 GLU 648 1HG GLU 648 1.389 15.841 -19.440 426 HG3 GLU 648 2HG GLU 648 2.645 14.596 -19.498 427 H ILE 649 H ILE 649 0.368 15.389 -21.828 428 HA ILE 649 HA ILE 649 -1.019 17.992 -21.346 429 HB ILE 649 HB ILE 649 -2.229 15.445 -22.486 430 HG12 ILE 649 1HG1 ILE 649 -0.612 16.299 -24.109 431 HG13 ILE 649 2HG1 ILE 649 -2.261 16.505 -24.675 432 HG21 ILE 649 1HG2 ILE 649 -3.315 18.285 -22.277 433 HG22 ILE 649 2HG2 ILE 649 -4.141 16.918 -23.065 434 HG23 ILE 649 3HG2 ILE 649 -3.824 16.882 -21.320 435 HD11 ILE 649 1HD1 ILE 649 -2.196 18.908 -24.185 436 HD12 ILE 649 2HD1 ILE 649 -0.568 18.745 -23.484 437 HD13 ILE 649 3HD1 ILE 649 -0.823 18.456 -25.213 438 H ARG 650 H ARG 650 -1.409 18.120 -19.284 439 HA ARG 650 HA ARG 650 -1.356 15.956 -17.396 440 HB2 ARG 650 1HB ARG 650 -1.974 17.617 -15.773 441 HB3 ARG 650 2HB ARG 650 -0.993 18.506 -16.943 442 HG2 ARG 650 1HG ARG 650 -3.197 19.273 -18.063 443 HG3 ARG 650 2HG ARG 650 -4.128 18.517 -16.761 444 HD2 ARG 650 1HD ARG 650 -2.941 19.976 -15.107 445 HD3 ARG 650 2HD ARG 650 -2.018 20.735 -16.415 446 HE ARG 650 HE ARG 650 -4.847 21.157 -15.741 447 HH11 ARG 650 1HH1 ARG 650 -2.327 21.703 -18.158 448 HH12 ARG 650 2HH1 ARG 650 -3.219 22.986 -18.930 449 HH21 ARG 650 1HH2 ARG 650 -5.921 22.800 -16.780 450 HH22 ARG 650 2HH2 ARG 650 -5.209 23.603 -18.152 451 H LEU 651 H LEU 651 -3.121 14.715 -16.566 452 HA LEU 651 HA LEU 651 -5.595 16.186 -16.552 453 HB2 LEU 651 1HB LEU 651 -5.383 13.868 -18.352 454 HB3 LEU 651 2HB LEU 651 -6.771 13.850 -17.283 455 HG LEU 651 HG LEU 651 -7.808 14.952 -18.917 456 HD11 LEU 651 1HD1 LEU 651 -6.219 17.452 -17.875 457 HD12 LEU 651 2HD1 LEU 651 -7.877 16.892 -17.433 458 HD13 LEU 651 3HD1 LEU 651 -7.578 17.509 -19.056 459 HD21 LEU 651 1HD2 LEU 651 -6.911 15.571 -20.904 460 HD22 LEU 651 2HD2 LEU 651 -5.507 14.663 -20.295 461 HD23 LEU 651 3HD2 LEU 651 -5.544 16.432 -20.174 462 HA PRO 652 HA PRO 652 -5.665 14.369 -12.643 463 HB2 PRO 652 1HB PRO 652 -8.176 14.839 -11.753 464 HB3 PRO 652 2HB PRO 652 -7.074 16.207 -12.141 465 HG2 PRO 652 1HG PRO 652 -9.198 14.944 -13.861 466 HG3 PRO 652 2HG PRO 652 -8.989 16.665 -13.442 467 HD2 PRO 652 1HD PRO 652 -8.041 15.621 -15.752 468 HD3 PRO 652 2HD PRO 652 -7.147 16.905 -14.869 469 H SER 653 H SER 653 -6.679 12.679 -11.279 470 HA SER 653 HA SER 653 -7.002 10.257 -12.626 471 HB2 SER 653 1HB SER 653 -7.764 9.415 -10.434 472 HB3 SER 653 2HB SER 653 -6.362 10.498 -10.287 473 HG SER 653 HG SER 653 -8.989 10.862 -9.458 474 H GLY 654 H GLY 654 -9.516 12.613 -11.942 475 HA2 GLY 654 1HA GLY 654 -11.641 10.620 -12.292 476 HA3 GLY 654 2HA GLY 654 -11.844 12.338 -11.949 477 H SER 655 H SER 655 -9.692 11.967 -14.561 478 HA SER 655 HA SER 655 -11.781 12.909 -16.390 479 HB2 SER 655 1HB SER 655 -9.314 13.697 -16.238 480 HB3 SER 655 2HB SER 655 -8.926 12.228 -17.146 481 HG SER 655 HG SER 655 -10.198 12.987 -18.845 482 H ASP 656 H ASP 656 -13.071 11.504 -17.476 483 HA ASP 656 HA ASP 656 -12.451 8.651 -17.527 484 HB2 ASP 656 1HB ASP 656 -14.640 8.445 -18.562 485 HB3 ASP 656 2HB ASP 656 -14.750 9.570 -17.198 486 H HIS 657 H HIS 657 -12.119 11.346 -19.700 487 HA HIS 657 HA HIS 657 -10.824 9.606 -21.687 488 HB2 HIS 657 1HB HIS 657 -12.107 10.357 -23.545 489 HB3 HIS 657 2HB HIS 657 -13.278 9.783 -22.354 490 HD1 HIS 657 HD1 HIS 657 -14.691 11.701 -21.103 491 HD2 HIS 657 HD2 HIS 657 -12.278 12.997 -24.230 492 HE1 HIS 657 HE1 HIS 657 -15.426 14.047 -21.659 493 H VAL 658 H VAL 658 -9.808 11.134 -23.387 494 HA VAL 658 HA VAL 658 -9.337 13.854 -22.255 495 HB VAL 658 HB VAL 658 -7.314 12.861 -21.540 496 HG11 VAL 658 1HG1 VAL 658 -5.984 11.247 -22.881 497 HG12 VAL 658 2HG1 VAL 658 -7.596 10.634 -22.481 498 HG13 VAL 658 3HG1 VAL 658 -7.262 11.249 -24.113 499 HG21 VAL 658 1HG2 VAL 658 -5.560 13.752 -22.933 500 HG22 VAL 658 2HG2 VAL 658 -6.576 13.674 -24.387 501 HG23 VAL 658 3HG2 VAL 658 -6.950 14.839 -23.094 502 H MET 659 H MET 659 -9.651 15.372 -23.782 503 HA MET 659 HA MET 659 -9.806 14.396 -26.585 504 HB2 MET 659 1HB MET 659 -11.856 15.427 -25.739 505 HB3 MET 659 2HB MET 659 -10.971 16.930 -25.405 506 HG2 MET 659 1HG MET 659 -10.613 17.358 -27.678 507 HG3 MET 659 2HG MET 659 -10.862 15.672 -28.117 508 HE1 MET 659 1HE MET 659 -12.116 15.764 -29.918 509 HE2 MET 659 2HE MET 659 -13.728 16.499 -30.089 510 HE3 MET 659 3HE MET 659 -12.294 17.531 -30.082 511 H LEU 660 H LEU 660 -7.930 14.568 -27.538 512 HA LEU 660 HA LEU 660 -6.102 16.798 -26.948 513 HB2 LEU 660 1HB LEU 660 -6.011 14.588 -29.034 514 HB3 LEU 660 2HB LEU 660 -4.719 15.746 -28.724 515 HG LEU 660 HG LEU 660 -5.717 13.641 -26.776 516 HD11 LEU 660 1HD1 LEU 660 -4.487 12.744 -28.682 517 HD12 LEU 660 2HD1 LEU 660 -3.509 12.650 -27.207 518 HD13 LEU 660 3HD1 LEU 660 -3.172 13.912 -28.410 519 HD21 LEU 660 1HD2 LEU 660 -3.481 15.699 -26.551 520 HD22 LEU 660 2HD2 LEU 660 -3.688 14.315 -25.458 521 HD23 LEU 660 3HD2 LEU 660 -4.928 15.573 -25.523 522 H LYS 661 H LYS 661 -5.357 18.243 -28.624 523 HA LYS 661 HA LYS 661 -6.871 18.518 -31.084 524 HB2 LYS 661 1HB LYS 661 -7.854 20.658 -30.688 525 HB3 LYS 661 2HB LYS 661 -8.425 19.562 -29.437 526 HG2 LYS 661 1HG LYS 661 -6.480 20.555 -28.005 527 HG3 LYS 661 2HG LYS 661 -6.474 21.844 -29.221 528 HD2 LYS 661 1HD LYS 661 -7.965 22.741 -27.749 529 HD3 LYS 661 2HD LYS 661 -9.106 21.806 -28.744 530 HE2 LYS 661 1HE LYS 661 -7.725 20.583 -26.368 531 HE3 LYS 661 2HE LYS 661 -9.153 21.605 -26.131 532 HZ1 LYS 661 1HZ LYS 661 -9.684 19.225 -26.246 533 HZ2 LYS 661 2HZ LYS 661 -9.102 19.144 -27.783 534 HZ3 LYS 661 3HZ LYS 661 -10.434 20.064 -27.458 535 H SER 662 H SER 662 -6.132 20.967 -31.803 536 HA SER 662 HA SER 662 -4.298 21.991 -32.790 537 HB2 SER 662 1HB SER 662 -3.000 21.536 -30.075 538 HB3 SER 662 2HB SER 662 -2.524 22.737 -31.293 539 HG SER 662 HG SER 662 -4.357 23.867 -30.910 540 H LEU 663 H LEU 663 -4.538 19.621 -33.712 541 HA LEU 663 HA LEU 663 -1.813 18.451 -33.839 542 HB2 LEU 663 1HB LEU 663 -2.938 16.193 -33.932 543 HB3 LEU 663 2HB LEU 663 -2.953 16.979 -32.370 544 HG LEU 663 HG LEU 663 -5.384 17.681 -32.906 545 HD11 LEU 663 1HD1 LEU 663 -5.002 15.466 -34.932 546 HD12 LEU 663 2HD1 LEU 663 -5.580 17.112 -35.232 547 HD13 LEU 663 3HD1 LEU 663 -6.583 15.981 -34.306 548 HD21 LEU 663 1HD2 LEU 663 -4.668 16.054 -31.206 549 HD22 LEU 663 2HD2 LEU 663 -4.622 14.773 -32.441 550 HD23 LEU 663 3HD2 LEU 663 -6.167 15.534 -32.001 551 H ASP 664 H ASP 664 -1.588 17.175 -35.878 552 HA ASP 664 HA ASP 664 -2.694 18.642 -38.118 553 HB2 ASP 664 1HB ASP 664 -1.279 15.932 -38.022 554 HB3 ASP 664 2HB ASP 664 -1.627 16.849 -39.491 555 H TRP 665 H TRP 665 -4.534 18.027 -39.354 556 HA TRP 665 HA TRP 665 -5.892 15.544 -38.384 557 HB2 TRP 665 1HB TRP 665 -7.990 16.679 -39.235 558 HB3 TRP 665 2HB TRP 665 -7.249 17.339 -37.775 559 HD1 TRP 665 HD1 TRP 665 -6.165 19.777 -37.926 560 HE1 TRP 665 HE1 TRP 665 -6.429 21.720 -39.530 561 HE3 TRP 665 HE3 TRP 665 -8.295 17.192 -41.792 562 HZ2 TRP 665 HZ2 TRP 665 -7.429 22.120 -42.181 563 HZ3 TRP 665 HZ3 TRP 665 -8.894 18.433 -43.879 564 HH2 TRP 665 HH2 TRP 665 -8.458 20.882 -44.060 565 H ASN 666 H ASN 666 -4.814 17.298 -41.250 566 HA ASN 666 HA ASN 666 -6.128 15.321 -43.019 567 HB2 ASN 666 1HB ASN 666 -5.797 17.962 -43.354 568 HB3 ASN 666 2HB ASN 666 -4.254 17.430 -44.044 569 HD21 ASN 666 1HD2 ASN 666 -5.598 16.359 -47.020 570 HD22 ASN 666 2HD2 ASN 666 -4.194 16.611 -46.002 571 H ALA 667 H ALA 667 -3.668 14.980 -41.104 572 HA ALA 667 HA ALA 667 -2.076 13.349 -42.981 573 HB1 ALA 667 1HB ALA 667 0.044 14.296 -42.139 574 HB2 ALA 667 2HB ALA 667 -0.912 15.583 -42.905 575 HB3 ALA 667 3HB ALA 667 -0.843 15.459 -41.130 576 H GLU 668 H GLU 668 -0.671 11.890 -41.607 577 HA GLU 668 HA GLU 668 -2.361 10.949 -39.423 578 HB2 GLU 668 1HB GLU 668 -0.013 9.401 -39.501 579 HB3 GLU 668 2HB GLU 668 -1.603 8.967 -40.109 580 HG2 GLU 668 1HG GLU 668 0.369 10.484 -41.860 581 HG3 GLU 668 2HG GLU 668 0.461 8.735 -41.657 582 H TYR 669 H TYR 669 -1.882 10.699 -37.321 583 HA TYR 669 HA TYR 669 0.714 11.744 -36.336 584 HB2 TYR 669 1HB TYR 669 -0.426 13.043 -34.597 585 HB3 TYR 669 2HB TYR 669 -0.845 13.619 -36.209 586 HD1 TYR 669 HD1 TYR 669 -3.081 13.413 -37.107 587 HD2 TYR 669 HD2 TYR 669 -2.129 11.914 -33.193 588 HE1 TYR 669 HE1 TYR 669 -5.486 13.297 -36.572 589 HE2 TYR 669 HE2 TYR 669 -4.567 11.777 -32.665 590 HH TYR 669 HH TYR 669 -7.052 12.858 -34.982 591 H GLU 670 H GLU 670 1.191 11.044 -34.183 592 HA GLU 670 HA GLU 670 -0.264 8.522 -33.481 593 HB2 GLU 670 1HB GLU 670 1.867 7.619 -32.720 594 HB3 GLU 670 2HB GLU 670 1.967 8.091 -34.419 595 HG2 GLU 670 1HG GLU 670 3.070 10.249 -33.658 596 HG3 GLU 670 2HG GLU 670 3.156 9.545 -32.036 597 H VAL 671 H VAL 671 -0.696 8.149 -31.347 598 HA VAL 671 HA VAL 671 -0.136 10.412 -29.452 599 HB VAL 671 HB VAL 671 -2.676 8.736 -29.723 600 HG11 VAL 671 1HG1 VAL 671 -1.956 10.963 -27.778 601 HG12 VAL 671 2HG1 VAL 671 -3.597 10.313 -27.996 602 HG13 VAL 671 3HG1 VAL 671 -2.309 9.263 -27.387 603 HG21 VAL 671 1HG2 VAL 671 -2.582 10.366 -31.520 604 HG22 VAL 671 2HG2 VAL 671 -3.786 10.883 -30.329 605 HG23 VAL 671 3HG2 VAL 671 -2.192 11.667 -30.373 606 H TYR 672 H TYR 672 0.808 9.764 -27.603 607 HA TYR 672 HA TYR 672 0.572 6.881 -26.797 608 HB2 TYR 672 1HB TYR 672 2.810 8.907 -26.478 609 HB3 TYR 672 2HB TYR 672 2.688 7.466 -25.458 610 HD1 TYR 672 HD1 TYR 672 3.529 5.386 -26.191 611 HD2 TYR 672 HD2 TYR 672 2.889 8.538 -29.032 612 HE1 TYR 672 HE1 TYR 672 4.621 4.009 -27.953 613 HE2 TYR 672 HE2 TYR 672 3.997 7.170 -30.793 614 HH TYR 672 HH TYR 672 5.013 5.233 -31.318 615 H VAL 673 H VAL 673 -0.063 6.497 -24.698 616 HA VAL 673 HA VAL 673 -0.448 8.839 -22.917 617 HB VAL 673 HB VAL 673 -2.574 8.770 -23.988 618 HG11 VAL 673 1HG1 VAL 673 -2.588 6.799 -25.258 619 HG12 VAL 673 2HG1 VAL 673 -2.397 5.762 -23.833 620 HG13 VAL 673 3HG1 VAL 673 -3.937 6.602 -24.122 621 HG21 VAL 673 1HG2 VAL 673 -4.142 8.191 -22.227 622 HG22 VAL 673 2HG2 VAL 673 -2.961 7.113 -21.459 623 HG23 VAL 673 3HG2 VAL 673 -2.678 8.864 -21.482 624 H VAL 674 H VAL 674 -0.238 8.349 -20.790 625 HA VAL 674 HA VAL 674 -0.092 5.481 -20.008 626 HB VAL 674 HB VAL 674 1.882 5.981 -18.533 627 HG11 VAL 674 1HG1 VAL 674 3.613 6.045 -20.348 628 HG12 VAL 674 2HG1 VAL 674 2.335 4.842 -20.573 629 HG13 VAL 674 3HG1 VAL 674 2.302 6.349 -21.521 630 HG21 VAL 674 1HG2 VAL 674 1.640 8.427 -18.405 631 HG22 VAL 674 2HG2 VAL 674 3.264 7.968 -18.948 632 HG23 VAL 674 3HG2 VAL 674 2.075 8.572 -20.123 633 H ALA 675 H ALA 675 -0.391 5.237 -17.701 634 HA ALA 675 HA ALA 675 -1.839 7.552 -16.464 635 HB1 ALA 675 1HB ALA 675 -3.308 5.610 -17.065 636 HB2 ALA 675 2HB ALA 675 -2.292 4.556 -16.057 637 HB3 ALA 675 3HB ALA 675 -3.208 5.884 -15.318 638 H GLU 676 H GLU 676 -1.413 7.836 -14.208 639 HA GLU 676 HA GLU 676 0.927 6.281 -13.169 640 HB2 GLU 676 1HB GLU 676 1.681 8.448 -14.053 641 HB3 GLU 676 2HB GLU 676 0.435 9.285 -13.133 642 HG2 GLU 676 1HG GLU 676 2.211 7.653 -11.454 643 HG3 GLU 676 2HG GLU 676 3.047 8.917 -12.365 644 H ASN 677 H ASN 677 0.742 5.675 -11.054 645 HA ASN 677 HA ASN 677 -1.253 7.174 -9.456 646 HB2 ASN 677 1HB ASN 677 -2.157 5.276 -8.350 647 HB3 ASN 677 2HB ASN 677 -2.298 4.965 -10.080 648 HD21 ASN 677 1HD2 ASN 677 -1.207 1.767 -9.024 649 HD22 ASN 677 2HD2 ASN 677 -2.618 2.769 -9.310 650 H GLN 678 H GLN 678 -0.707 6.713 -7.041 651 HA GLN 678 HA GLN 678 1.923 7.730 -6.751 652 HB2 GLN 678 1HB GLN 678 1.438 7.745 -4.361 653 HB3 GLN 678 2HB GLN 678 0.114 8.409 -5.334 654 HG2 GLN 678 1HG GLN 678 -1.126 6.302 -5.101 655 HG3 GLN 678 2HG GLN 678 0.194 5.646 -4.102 656 HE21 GLN 678 1HE2 GLN 678 -0.875 7.200 -1.179 657 HE22 GLN 678 2HE2 GLN 678 0.275 6.145 -1.968 658 H GLN 679 H GLN 679 1.304 4.560 -7.412 659 HA GLN 679 HA GLN 679 3.650 3.640 -5.791 660 HB2 GLN 679 1HB GLN 679 1.150 2.278 -6.737 661 HB3 GLN 679 2HB GLN 679 2.641 1.351 -6.724 662 HG2 GLN 679 1HG GLN 679 1.698 0.873 -4.666 663 HG3 GLN 679 2HG GLN 679 2.957 2.053 -4.305 664 HE21 GLN 679 1HE2 GLN 679 -0.824 3.653 -4.268 665 HE22 GLN 679 2HE2 GLN 679 -0.239 2.788 -5.669 666 H GLY 680 H GLY 680 2.563 4.389 -9.022 667 HA2 GLY 680 1HA GLY 680 5.008 4.062 -10.249 668 HA3 GLY 680 2HA GLY 680 4.295 2.453 -10.330 669 H LYS 681 H LYS 681 4.519 2.910 -12.730 670 HA LYS 681 HA LYS 681 2.143 4.510 -13.646 671 HB2 LYS 681 1HB LYS 681 4.875 4.467 -14.956 672 HB3 LYS 681 2HB LYS 681 3.430 5.291 -15.564 673 HG2 LYS 681 1HG LYS 681 3.455 6.435 -13.197 674 HG3 LYS 681 2HG LYS 681 5.164 5.983 -13.212 675 HD2 LYS 681 1HD LYS 681 3.739 7.629 -15.344 676 HD3 LYS 681 2HD LYS 681 4.755 8.280 -14.045 677 HE2 LYS 681 1HE LYS 681 6.636 6.836 -14.937 678 HE3 LYS 681 2HE LYS 681 5.612 6.498 -16.348 679 HZ1 LYS 681 1HZ LYS 681 6.461 9.197 -15.450 680 HZ2 LYS 681 2HZ LYS 681 5.508 8.888 -16.759 681 HZ3 LYS 681 3HZ LYS 681 7.080 8.385 -16.746 682 H SER 682 H SER 682 1.365 4.081 -15.744 683 HA SER 682 HA SER 682 1.140 1.193 -16.095 684 HB2 SER 682 1HB SER 682 -0.750 1.678 -17.364 685 HB3 SER 682 2HB SER 682 -0.699 3.057 -16.260 686 HG SER 682 HG SER 682 0.117 2.941 -18.982 687 H LYS 683 H LYS 683 1.216 0.176 -18.208 688 HA LYS 683 HA LYS 683 3.636 0.884 -19.681 689 HB2 LYS 683 1HB LYS 683 2.495 -1.462 -19.471 690 HB3 LYS 683 2HB LYS 683 1.402 -0.866 -20.727 691 HG2 LYS 683 1HG LYS 683 3.391 -0.408 -22.184 692 HG3 LYS 683 2HG LYS 683 4.417 -1.174 -20.964 693 HD2 LYS 683 1HD LYS 683 2.083 -2.553 -22.350 694 HD3 LYS 683 2HD LYS 683 3.765 -2.640 -22.906 695 HE2 LYS 683 1HE LYS 683 4.413 -3.576 -20.666 696 HE3 LYS 683 2HE LYS 683 2.689 -3.629 -20.235 697 HZ1 LYS 683 1HZ LYS 683 3.933 -5.054 -22.521 698 HZ2 LYS 683 2HZ LYS 683 2.332 -5.104 -22.129 699 HZ3 LYS 683 3HZ LYS 683 3.453 -5.752 -21.106 700 H ALA 684 H ALA 684 3.688 1.912 -21.745 701 HA ALA 684 HA ALA 684 1.580 3.818 -22.240 702 HB1 ALA 684 1HB ALA 684 3.988 4.233 -22.771 703 HB2 ALA 684 2HB ALA 684 3.918 2.947 -24.004 704 HB3 ALA 684 3HB ALA 684 2.946 4.423 -24.200 705 H ALA 685 H ALA 685 0.141 3.937 -23.960 706 HA ALA 685 HA ALA 685 -0.022 1.545 -25.754 707 HB1 ALA 685 1HB ALA 685 -1.896 1.527 -23.992 708 HB2 ALA 685 2HB ALA 685 -2.425 3.084 -24.672 709 HB3 ALA 685 3HB ALA 685 -2.447 1.626 -25.680 710 H HIS 686 H HIS 686 -0.615 2.250 -27.907 711 HA HIS 686 HA HIS 686 -0.736 5.158 -28.282 712 HB2 HIS 686 1HB HIS 686 0.997 5.129 -29.985 713 HB3 HIS 686 2HB HIS 686 1.624 4.599 -28.427 714 HD1 HIS 686 HD1 HIS 686 2.411 2.108 -28.227 715 HD2 HIS 686 HD2 HIS 686 0.958 3.165 -31.977 716 HE1 HIS 686 HE1 HIS 686 3.045 0.240 -29.806 717 H PHE 687 H PHE 687 -1.657 5.872 -30.208 718 HA PHE 687 HA PHE 687 -2.553 3.796 -32.100 719 HB2 PHE 687 1HB PHE 687 -4.821 4.188 -31.983 720 HB3 PHE 687 2HB PHE 687 -4.367 4.269 -30.280 721 HD1 PHE 687 HD1 PHE 687 -4.139 6.569 -29.176 722 HD2 PHE 687 HD2 PHE 687 -5.797 6.025 -33.110 723 HE1 PHE 687 HE1 PHE 687 -5.244 8.805 -29.025 724 HE2 PHE 687 HE2 PHE 687 -6.901 8.236 -32.959 725 HZ PHE 687 HZ PHE 687 -6.652 9.640 -30.922 726 H VAL 688 H VAL 688 -3.258 4.748 -34.155 727 HA VAL 688 HA VAL 688 -2.006 7.418 -34.634 728 HB VAL 688 HB VAL 688 -1.916 4.923 -36.417 729 HG11 VAL 688 1HG1 VAL 688 -0.653 7.673 -36.845 730 HG12 VAL 688 2HG1 VAL 688 -0.401 6.247 -37.874 731 HG13 VAL 688 3HG1 VAL 688 -2.009 6.988 -37.773 732 HG21 VAL 688 1HG2 VAL 688 -0.370 4.682 -34.534 733 HG22 VAL 688 2HG2 VAL 688 0.555 5.006 -36.010 734 HG23 VAL 688 3HG2 VAL 688 0.291 6.306 -34.827 735 H PHE 689 H PHE 689 -3.219 8.800 -35.958 736 HA PHE 689 HA PHE 689 -5.592 7.671 -37.334 737 HB2 PHE 689 1HB PHE 689 -6.289 8.157 -35.000 738 HB3 PHE 689 2HB PHE 689 -5.804 9.840 -35.214 739 HD1 PHE 689 HD1 PHE 689 -7.248 11.406 -36.322 740 HD2 PHE 689 HD2 PHE 689 -8.184 7.211 -36.370 741 HE1 PHE 689 HE1 PHE 689 -9.501 11.934 -37.214 742 HE2 PHE 689 HE2 PHE 689 -10.433 7.725 -37.307 743 HZ PHE 689 HZ PHE 689 -11.100 10.092 -37.727 744 H ARG 690 H ARG 690 -6.643 9.151 -38.760 745 HA ARG 690 HA ARG 690 -5.652 11.844 -39.233 746 HB2 ARG 690 1HB ARG 690 -5.372 11.111 -41.789 747 HB3 ARG 690 2HB ARG 690 -4.027 11.201 -40.681 748 HG2 ARG 690 1HG ARG 690 -3.495 9.212 -41.485 749 HG3 ARG 690 2HG ARG 690 -4.642 8.571 -40.348 750 HD2 ARG 690 1HD ARG 690 -5.979 7.833 -42.007 751 HD3 ARG 690 2HD ARG 690 -5.893 9.390 -42.873 752 HE ARG 690 HE ARG 690 -3.356 8.255 -43.150 753 HH11 ARG 690 1HH1 ARG 690 -6.615 7.260 -44.134 754 HH12 ARG 690 2HH1 ARG 690 -6.008 6.382 -45.512 755 HH21 ARG 690 1HH2 ARG 690 -2.684 7.134 -44.844 756 HH22 ARG 690 2HH2 ARG 690 -3.798 6.313 -45.919 757 H THR 691 H THR 691 -7.179 12.896 -40.731 758 HA THR 691 HA THR 691 -9.568 11.243 -41.402 759 HB THR 691 HB THR 691 -10.087 12.242 -39.208 760 HG1 THR 691 HG1 THR 691 -11.914 13.537 -39.939 761 HG21 THR 691 1HG2 THR 691 -9.304 14.843 -40.542 762 HG22 THR 691 2HG2 THR 691 -8.661 14.129 -39.050 763 HG23 THR 691 3HG2 THR 691 -10.319 14.768 -39.084 764 H HIS 692 H HIS 692 -11.096 12.745 -42.736 765 HA HIS 692 HA HIS 692 -11.425 13.714 -44.763 766 HB2 HIS 692 1HB HIS 692 -9.200 15.579 -43.890 767 HB3 HIS 692 2HB HIS 692 -10.353 15.881 -45.193 768 HD1 HIS 692 HD1 HIS 692 -12.993 15.972 -44.339 769 HD2 HIS 692 HD2 HIS 692 -10.025 16.454 -41.473 770 HE1 HIS 692 HE1 HIS 692 -14.095 17.013 -42.315 771 H HIS 693 H HIS 693 -9.187 11.615 -44.496 772 HA HIS 693 HA HIS 693 -7.272 12.226 -46.538 773 HB2 HIS 693 1HB HIS 693 -7.187 10.381 -44.735 774 HB3 HIS 693 2HB HIS 693 -8.231 9.444 -45.814 775 HD1 HIS 693 HD1 HIS 693 -4.708 10.778 -45.489 776 HD2 HIS 693 HD2 HIS 693 -6.965 8.471 -48.118 777 HE1 HIS 693 HE1 HIS 693 -3.080 9.708 -47.093 778 H HIS 694 H HIS 694 -7.426 12.025 -48.719 779 HA HIS 694 HA HIS 694 -10.101 12.006 -49.796 780 HB2 HIS 694 1HB HIS 694 -7.336 12.188 -51.023 781 HB3 HIS 694 2HB HIS 694 -8.820 12.253 -51.980 782 HD1 HIS 694 HD1 HIS 694 -8.946 14.022 -48.670 783 HD2 HIS 694 HD2 HIS 694 -8.145 14.905 -52.655 784 HE1 HIS 694 HE1 HIS 694 -9.002 16.535 -48.880 785 H HIS 695 H HIS 695 -10.863 10.727 -51.546 786 HA HIS 695 HA HIS 695 -10.379 7.874 -51.189 787 HB2 HIS 695 1HB HIS 695 -12.578 9.276 -51.741 788 HB3 HIS 695 2HB HIS 695 -12.050 9.033 -53.411 789 HD1 HIS 695 HD1 HIS 695 -11.425 6.227 -53.789 790 HD2 HIS 695 HD2 HIS 695 -14.258 7.349 -50.963 791 HE1 HIS 695 HE1 HIS 695 -12.857 4.196 -53.355 792 H HIS 696 H HIS 696 -8.322 9.834 -52.475 793 HA HIS 696 HA HIS 696 -7.443 8.030 -54.612 794 HB2 HIS 696 1HB HIS 696 -9.021 9.894 -55.577 795 HB3 HIS 696 2HB HIS 696 -7.688 10.995 -55.204 796 HD1 HIS 696 HD1 HIS 696 -8.539 8.010 -57.404 797 HD2 HIS 696 HD2 HIS 696 -5.576 10.901 -56.987 798 HE1 HIS 696 HE1 HIS 696 -7.060 7.835 -59.444 799 H HIS 697 H HIS 697 -5.132 8.334 -54.864 800 HA HIS 697 HA HIS 697 -3.846 10.280 -53.025 801 HB2 HIS 697 1HB HIS 697 -4.286 7.922 -51.982 802 HB3 HIS 697 2HB HIS 697 -3.053 7.356 -53.115 803 HD1 HIS 697 HD1 HIS 697 -3.472 8.980 -49.826 804 HD2 HIS 697 HD2 HIS 697 -0.465 8.593 -52.671 805 HE1 HIS 697 HE1 HIS 697 -1.307 9.587 -48.678 Start of MODEL 14 1 H1 MET 595 1H MET 595 2.233 1.844 -1.183 2 H2 MET 595 2H MET 595 1.349 0.532 -1.637 3 H3 MET 595 3H MET 595 2.394 0.419 -0.366 4 HA MET 595 HA MET 595 3.125 0.905 -3.157 5 HB2 MET 595 1HB MET 595 5.467 0.249 -2.131 6 HB3 MET 595 2HB MET 595 4.874 1.907 -2.135 7 HG2 MET 595 1HG MET 595 4.215 1.758 0.199 8 HG3 MET 595 2HG MET 595 4.600 0.025 0.234 9 HE1 MET 595 1HE MET 595 5.965 3.708 0.319 10 HE2 MET 595 2HE MET 595 7.713 3.487 0.077 11 HE3 MET 595 3HE MET 595 6.595 3.242 -1.283 12 H GLN 596 H GLN 596 4.429 -1.490 -0.813 13 HA GLN 596 HA GLN 596 4.703 -3.493 -2.681 14 HB2 GLN 596 1HB GLN 596 4.096 -3.739 0.274 15 HB3 GLN 596 2HB GLN 596 4.715 -5.052 -0.731 16 HG2 GLN 596 1HG GLN 596 6.800 -3.933 -1.079 17 HG3 GLN 596 2HG GLN 596 6.180 -2.412 -0.416 18 HE21 GLN 596 1HE2 GLN 596 7.995 -4.931 2.032 19 HE22 GLN 596 2HE2 GLN 596 8.113 -4.976 0.289 20 HA PRO 597 HA PRO 597 0.701 -5.668 -1.848 21 HB2 PRO 597 1HB PRO 597 -1.515 -4.543 -0.789 22 HB3 PRO 597 2HB PRO 597 -0.169 -5.109 0.250 23 HG2 PRO 597 1HG PRO 597 -0.706 -2.333 -0.780 24 HG3 PRO 597 2HG PRO 597 -0.457 -2.876 0.911 25 HD2 PRO 597 1HD PRO 597 1.550 -1.859 -0.582 26 HD3 PRO 597 2HD PRO 597 1.834 -3.189 0.591 27 H VAL 598 H VAL 598 1.032 -2.819 -3.604 28 HA VAL 598 HA VAL 598 -1.391 -3.482 -5.201 29 HB VAL 598 HB VAL 598 -2.299 -1.618 -4.262 30 HG11 VAL 598 1HG1 VAL 598 -0.623 -1.139 -2.628 31 HG12 VAL 598 2HG1 VAL 598 0.474 -0.481 -3.865 32 HG13 VAL 598 3HG1 VAL 598 -1.030 0.372 -3.449 33 HG21 VAL 598 1HG2 VAL 598 -0.516 -0.206 -6.284 34 HG22 VAL 598 2HG2 VAL 598 -1.988 -1.107 -6.688 35 HG23 VAL 598 3HG2 VAL 598 -2.090 0.338 -5.676 36 H ARG 599 H ARG 599 -1.145 -3.630 -7.284 37 HA ARG 599 HA ARG 599 1.508 -3.452 -8.452 38 HB2 ARG 599 1HB ARG 599 0.439 -4.330 -10.450 39 HB3 ARG 599 2HB ARG 599 -0.152 -5.223 -9.045 40 HG2 ARG 599 1HG ARG 599 -2.288 -4.059 -9.109 41 HG3 ARG 599 2HG ARG 599 -1.685 -2.910 -10.307 42 HD2 ARG 599 1HD ARG 599 -2.959 -4.356 -11.597 43 HD3 ARG 599 2HD ARG 599 -1.312 -4.950 -11.836 44 HE ARG 599 HE ARG 599 -1.791 -6.791 -10.329 45 HH11 ARG 599 1HH1 ARG 599 -4.689 -4.966 -11.306 46 HH12 ARG 599 2HH1 ARG 599 -5.746 -6.275 -10.843 47 HH21 ARG 599 1HH2 ARG 599 -3.231 -8.386 -9.785 48 HH22 ARG 599 2HH2 ARG 599 -4.943 -8.157 -10.018 49 H GLU 600 H GLU 600 1.928 -2.401 -10.533 50 HA GLU 600 HA GLU 600 1.144 0.394 -10.618 51 HB2 GLU 600 1HB GLU 600 2.678 -1.464 -12.472 52 HB3 GLU 600 2HB GLU 600 2.301 0.202 -12.909 53 HG2 GLU 600 1HG GLU 600 3.454 0.961 -10.830 54 HG3 GLU 600 2HG GLU 600 3.976 -0.711 -10.566 55 HA PRO 601 HA PRO 601 -2.492 -0.272 -12.883 56 HB2 PRO 601 1HB PRO 601 -2.775 1.908 -14.512 57 HB3 PRO 601 2HB PRO 601 -2.942 1.950 -12.733 58 HG2 PRO 601 1HG PRO 601 -0.632 2.743 -14.430 59 HG3 PRO 601 2HG PRO 601 -1.313 3.552 -13.005 60 HD2 PRO 601 1HD PRO 601 0.923 1.955 -12.996 61 HD3 PRO 601 2HD PRO 601 -0.125 2.222 -11.573 62 H SER 602 H SER 602 -3.595 -0.655 -14.847 63 HA SER 602 HA SER 602 -1.956 -2.082 -16.790 64 HB2 SER 602 1HB SER 602 -4.159 -2.932 -15.936 65 HB3 SER 602 2HB SER 602 -4.958 -1.566 -16.745 66 HG SER 602 HG SER 602 -4.976 -3.432 -18.048 67 H ALA 603 H ALA 603 -2.083 -1.666 -19.094 68 HA ALA 603 HA ALA 603 -1.526 0.976 -19.820 69 HB1 ALA 603 1HB ALA 603 -0.957 -1.072 -21.169 70 HB2 ALA 603 2HB ALA 603 -2.673 -1.208 -21.625 71 HB3 ALA 603 3HB ALA 603 -1.720 0.203 -22.141 72 HA PRO 604 HA PRO 604 -5.450 2.812 -19.828 73 HB2 PRO 604 1HB PRO 604 -5.218 4.888 -21.592 74 HB3 PRO 604 2HB PRO 604 -4.375 4.858 -20.008 75 HG2 PRO 604 1HG PRO 604 -3.365 4.069 -22.692 76 HG3 PRO 604 2HG PRO 604 -2.644 5.175 -21.489 77 HD2 PRO 604 1HD PRO 604 -1.835 2.634 -21.706 78 HD3 PRO 604 2HD PRO 604 -1.984 3.432 -20.102 79 H LYS 605 H LYS 605 -7.385 3.216 -20.918 80 HA LYS 605 HA LYS 605 -7.921 1.197 -22.960 81 HB2 LYS 605 1HB LYS 605 -9.591 3.321 -21.542 82 HB3 LYS 605 2HB LYS 605 -10.249 2.276 -22.801 83 HG2 LYS 605 1HG LYS 605 -10.893 1.255 -20.765 84 HG3 LYS 605 2HG LYS 605 -9.570 0.265 -21.376 85 HD2 LYS 605 1HD LYS 605 -8.689 2.407 -19.507 86 HD3 LYS 605 2HD LYS 605 -9.809 1.239 -18.786 87 HE2 LYS 605 1HE LYS 605 -8.364 -0.631 -19.508 88 HE3 LYS 605 2HE LYS 605 -7.256 0.497 -20.281 89 HZ1 LYS 605 1HZ LYS 605 -7.676 0.115 -17.367 90 HZ2 LYS 605 2HZ LYS 605 -6.900 1.440 -17.971 91 HZ3 LYS 605 3HZ LYS 605 -6.286 -0.056 -18.240 92 H LEU 606 H LEU 606 -8.785 1.706 -25.124 93 HA LEU 606 HA LEU 606 -8.484 4.474 -26.030 94 HB2 LEU 606 1HB LEU 606 -6.181 3.534 -26.153 95 HB3 LEU 606 2HB LEU 606 -6.770 2.242 -27.180 96 HG LEU 606 HG LEU 606 -5.481 4.192 -28.236 97 HD11 LEU 606 1HD1 LEU 606 -6.762 4.121 -30.322 98 HD12 LEU 606 2HD1 LEU 606 -8.149 3.419 -29.471 99 HD13 LEU 606 3HD1 LEU 606 -6.633 2.510 -29.590 100 HD21 LEU 606 1HD2 LEU 606 -6.710 6.014 -27.141 101 HD22 LEU 606 2HD2 LEU 606 -8.184 5.563 -28.022 102 HD23 LEU 606 3HD2 LEU 606 -6.770 6.146 -28.907 103 H GLU 607 H GLU 607 -10.303 4.773 -27.145 104 HA GLU 607 HA GLU 607 -11.324 2.476 -28.753 105 HB2 GLU 607 1HB GLU 607 -13.064 4.723 -27.771 106 HB3 GLU 607 2HB GLU 607 -13.526 3.102 -28.294 107 HG2 GLU 607 1HG GLU 607 -12.190 3.919 -25.694 108 HG3 GLU 607 2HG GLU 607 -13.814 3.270 -25.899 109 H GLY 608 H GLY 608 -9.688 5.272 -29.194 110 HA2 GLY 608 1HA GLY 608 -9.424 6.734 -30.949 111 HA3 GLY 608 2HA GLY 608 -9.902 5.352 -31.931 112 H GLN 609 H GLN 609 -11.711 7.620 -29.792 113 HA GLN 609 HA GLN 609 -13.949 7.551 -31.653 114 HB2 GLN 609 1HB GLN 609 -13.406 9.105 -29.124 115 HB3 GLN 609 2HB GLN 609 -14.949 9.134 -29.989 116 HG2 GLN 609 1HG GLN 609 -13.658 6.630 -28.836 117 HG3 GLN 609 2HG GLN 609 -14.942 7.561 -28.047 118 HE21 GLN 609 1HE2 GLN 609 -15.861 4.745 -30.702 119 HE22 GLN 609 2HE2 GLN 609 -14.268 4.957 -30.005 120 H MET 610 H MET 610 -14.214 8.751 -33.331 121 HA MET 610 HA MET 610 -12.476 10.612 -34.379 122 HB2 MET 610 1HB MET 610 -15.489 10.687 -34.763 123 HB3 MET 610 2HB MET 610 -14.252 11.204 -35.912 124 HG2 MET 610 1HG MET 610 -14.771 8.349 -35.007 125 HG3 MET 610 2HG MET 610 -15.267 9.059 -36.548 126 HE1 MET 610 1HE MET 610 -14.079 6.880 -37.635 127 HE2 MET 610 2HE MET 610 -12.346 6.527 -37.451 128 HE3 MET 610 3HE MET 610 -13.441 6.336 -36.062 129 H GLY 611 H GLY 611 -12.172 12.805 -34.407 130 HA2 GLY 611 1HA GLY 611 -13.671 14.370 -32.370 131 HA3 GLY 611 2HA GLY 611 -12.146 14.835 -33.149 132 H GLU 612 H GLU 612 -15.616 14.931 -33.302 133 HA GLU 612 HA GLU 612 -15.918 15.549 -36.094 134 HB2 GLU 612 1HB GLU 612 -17.680 16.378 -33.753 135 HB3 GLU 612 2HB GLU 612 -18.137 16.340 -35.453 136 HG2 GLU 612 1HG GLU 612 -19.104 14.387 -34.638 137 HG3 GLU 612 2HG GLU 612 -17.598 13.796 -35.356 138 H ASP 613 H ASP 613 -14.968 17.392 -33.306 139 HA ASP 613 HA ASP 613 -15.475 20.048 -34.152 140 HB2 ASP 613 1HB ASP 613 -13.143 18.874 -32.586 141 HB3 ASP 613 2HB ASP 613 -13.459 20.600 -32.737 142 H GLY 614 H GLY 614 -13.154 17.682 -35.260 143 HA2 GLY 614 1HA GLY 614 -11.622 17.837 -37.011 144 HA3 GLY 614 2HA GLY 614 -12.047 19.552 -37.223 145 H ASN 615 H ASN 615 -9.366 18.483 -37.207 146 HA ASN 615 HA ASN 615 -7.290 18.874 -36.293 147 HB2 ASN 615 1HB ASN 615 -8.570 21.219 -36.523 148 HB3 ASN 615 2HB ASN 615 -8.349 21.239 -34.771 149 HD21 ASN 615 1HD2 ASN 615 -4.806 21.536 -35.000 150 HD22 ASN 615 2HD2 ASN 615 -6.098 20.844 -34.033 151 H SER 616 H SER 616 -9.184 17.168 -34.747 152 HA SER 616 HA SER 616 -7.806 17.075 -32.175 153 HB2 SER 616 1HB SER 616 -9.895 17.443 -30.883 154 HB3 SER 616 2HB SER 616 -9.406 18.885 -31.796 155 HG SER 616 HG SER 616 -10.963 18.496 -33.290 156 H ILE 617 H ILE 617 -8.772 15.347 -30.738 157 HA ILE 617 HA ILE 617 -10.676 13.458 -31.904 158 HB ILE 617 HB ILE 617 -8.485 12.868 -33.009 159 HG12 ILE 617 1HG1 ILE 617 -9.270 10.564 -31.253 160 HG13 ILE 617 2HG1 ILE 617 -10.486 11.291 -32.298 161 HG21 ILE 617 1HG2 ILE 617 -6.701 11.778 -31.751 162 HG22 ILE 617 2HG2 ILE 617 -6.991 13.376 -31.047 163 HG23 ILE 617 3HG2 ILE 617 -7.616 11.923 -30.235 164 HD11 ILE 617 1HD1 ILE 617 -9.417 9.323 -33.319 165 HD12 ILE 617 2HD1 ILE 617 -9.173 10.801 -34.274 166 HD13 ILE 617 3HD1 ILE 617 -7.851 10.164 -33.271 167 H LYS 618 H LYS 618 -11.321 11.785 -30.310 168 HA LYS 618 HA LYS 618 -10.476 12.543 -27.531 169 HB2 LYS 618 1HB LYS 618 -12.878 10.864 -28.235 170 HB3 LYS 618 2HB LYS 618 -12.513 11.648 -26.714 171 HG2 LYS 618 1HG LYS 618 -14.011 13.176 -27.372 172 HG3 LYS 618 2HG LYS 618 -12.708 13.817 -28.385 173 HD2 LYS 618 1HD LYS 618 -13.653 13.030 -30.322 174 HD3 LYS 618 2HD LYS 618 -14.249 11.555 -29.559 175 HE2 LYS 618 1HE LYS 618 -15.986 13.050 -28.380 176 HE3 LYS 618 2HE LYS 618 -15.517 14.301 -29.556 177 HZ1 LYS 618 1HZ LYS 618 -15.967 12.510 -31.287 178 HZ2 LYS 618 2HZ LYS 618 -17.281 13.162 -30.557 179 HZ3 LYS 618 3HZ LYS 618 -16.745 11.665 -30.102 180 H VAL 619 H VAL 619 -9.557 11.024 -26.245 181 HA VAL 619 HA VAL 619 -9.432 8.224 -27.286 182 HB VAL 619 HB VAL 619 -7.198 8.346 -27.558 183 HG11 VAL 619 1HG1 VAL 619 -7.274 11.149 -26.351 184 HG12 VAL 619 2HG1 VAL 619 -5.881 10.425 -27.178 185 HG13 VAL 619 3HG1 VAL 619 -7.377 10.726 -28.078 186 HG21 VAL 619 1HG2 VAL 619 -5.680 8.542 -25.627 187 HG22 VAL 619 2HG2 VAL 619 -7.012 9.152 -24.624 188 HG23 VAL 619 3HG2 VAL 619 -7.061 7.490 -25.257 189 H ASN 620 H ASN 620 -9.610 6.679 -25.573 190 HA ASN 620 HA ASN 620 -11.131 7.790 -23.340 191 HB2 ASN 620 1HB ASN 620 -10.708 5.116 -24.538 192 HB3 ASN 620 2HB ASN 620 -10.932 5.140 -22.786 193 HD21 ASN 620 1HD2 ASN 620 -14.000 6.488 -25.150 194 HD22 ASN 620 2HD2 ASN 620 -12.352 6.629 -25.710 195 H LEU 621 H LEU 621 -10.754 7.298 -21.138 196 HA LEU 621 HA LEU 621 -7.890 6.810 -20.490 197 HB2 LEU 621 1HB LEU 621 -9.414 9.180 -20.183 198 HB3 LEU 621 2HB LEU 621 -9.234 8.499 -18.575 199 HG LEU 621 HG LEU 621 -6.863 8.619 -18.721 200 HD11 LEU 621 1HD1 LEU 621 -5.720 9.714 -20.695 201 HD12 LEU 621 2HD1 LEU 621 -7.223 9.468 -21.615 202 HD13 LEU 621 3HD1 LEU 621 -6.313 8.071 -20.997 203 HD21 LEU 621 1HD2 LEU 621 -6.627 11.102 -19.047 204 HD22 LEU 621 2HD2 LEU 621 -8.076 10.664 -18.128 205 HD23 LEU 621 3HD2 LEU 621 -8.222 11.119 -19.834 206 H ILE 622 H ILE 622 -7.907 6.490 -17.925 207 HA ILE 622 HA ILE 622 -9.340 4.041 -17.508 208 HB ILE 622 HB ILE 622 -7.378 5.710 -15.997 209 HG12 ILE 622 1HG1 ILE 622 -6.382 3.425 -15.588 210 HG13 ILE 622 2HG1 ILE 622 -7.634 2.782 -16.650 211 HG21 ILE 622 1HG2 ILE 622 -8.868 5.494 -14.186 212 HG22 ILE 622 2HG2 ILE 622 -9.229 3.812 -14.609 213 HG23 ILE 622 3HG2 ILE 622 -7.647 4.235 -13.962 214 HD11 ILE 622 1HD1 ILE 622 -6.768 3.969 -18.522 215 HD12 ILE 622 2HD1 ILE 622 -5.715 4.960 -17.491 216 HD13 ILE 622 3HD1 ILE 622 -5.377 3.226 -17.691 217 H LYS 623 H LYS 623 -11.321 3.688 -16.622 218 HA LYS 623 HA LYS 623 -12.428 5.819 -14.863 219 HB2 LYS 623 1HB LYS 623 -14.718 5.032 -15.591 220 HB3 LYS 623 2HB LYS 623 -13.783 5.977 -16.739 221 HG2 LYS 623 1HG LYS 623 -13.492 3.027 -17.019 222 HG3 LYS 623 2HG LYS 623 -15.103 3.696 -17.372 223 HD2 LYS 623 1HD LYS 623 -12.725 5.053 -18.547 224 HD3 LYS 623 2HD LYS 623 -13.319 3.544 -19.283 225 HE2 LYS 623 1HE LYS 623 -15.430 4.448 -19.735 226 HE3 LYS 623 2HE LYS 623 -15.254 5.705 -18.511 227 HZ1 LYS 623 1HZ LYS 623 -13.448 6.624 -20.021 228 HZ2 LYS 623 2HZ LYS 623 -15.008 6.826 -20.506 229 HZ3 LYS 623 3HZ LYS 623 -14.067 5.653 -21.209 230 H GLN 624 H GLN 624 -10.910 3.152 -14.503 231 HA GLN 624 HA GLN 624 -12.477 2.256 -12.177 232 HB2 GLN 624 1HB GLN 624 -12.516 -0.058 -12.835 233 HB3 GLN 624 2HB GLN 624 -13.278 0.870 -14.126 234 HG2 GLN 624 1HG GLN 624 -10.417 -0.209 -14.189 235 HG3 GLN 624 2HG GLN 624 -11.806 -0.966 -14.967 236 HE21 GLN 624 1HE2 GLN 624 -9.785 1.991 -16.815 237 HE22 GLN 624 2HE2 GLN 624 -9.346 1.409 -15.225 238 H ASP 625 H ASP 625 -11.009 1.134 -10.604 239 HA ASP 625 HA ASP 625 -8.243 1.946 -11.092 240 HB2 ASP 625 1HB ASP 625 -7.773 1.036 -8.866 241 HB3 ASP 625 2HB ASP 625 -9.119 2.184 -8.845 242 H ASP 626 H ASP 626 -6.681 0.780 -11.923 243 HA ASP 626 HA ASP 626 -7.320 -1.804 -13.112 244 HB2 ASP 626 1HB ASP 626 -4.783 -0.152 -12.940 245 HB3 ASP 626 2HB ASP 626 -4.954 -1.623 -13.917 246 H GLY 627 H GLY 627 -6.204 -0.925 -10.061 247 HA2 GLY 627 1HA GLY 627 -5.044 -3.605 -9.666 248 HA3 GLY 627 2HA GLY 627 -3.966 -2.234 -9.422 249 H GLY 628 H GLY 628 -3.669 -1.745 -7.457 250 HA2 GLY 628 1HA GLY 628 -5.769 -2.468 -5.457 251 HA3 GLY 628 2HA GLY 628 -4.047 -2.349 -5.121 252 H SER 629 H SER 629 -4.957 0.232 -7.088 253 HA SER 629 HA SER 629 -5.983 1.976 -4.981 254 HB2 SER 629 1HB SER 629 -3.191 2.425 -6.136 255 HB3 SER 629 2HB SER 629 -4.085 3.579 -5.128 256 HG SER 629 HG SER 629 -4.043 1.217 -3.879 257 HA PRO 630 HA PRO 630 -7.336 3.710 -8.800 258 HB2 PRO 630 1HB PRO 630 -8.041 6.255 -8.141 259 HB3 PRO 630 2HB PRO 630 -8.968 4.837 -7.548 260 HG2 PRO 630 1HG PRO 630 -6.789 6.383 -6.158 261 HG3 PRO 630 2HG PRO 630 -8.431 5.967 -5.563 262 HD2 PRO 630 1HD PRO 630 -6.273 4.480 -4.904 263 HD3 PRO 630 2HD PRO 630 -7.866 3.712 -5.237 264 H ILE 631 H ILE 631 -6.815 5.281 -10.414 265 HA ILE 631 HA ILE 631 -4.012 5.909 -10.611 266 HB ILE 631 HB ILE 631 -6.501 6.339 -12.276 267 HG12 ILE 631 1HG1 ILE 631 -5.071 5.320 -14.029 268 HG13 ILE 631 2HG1 ILE 631 -3.708 5.286 -12.912 269 HG21 ILE 631 1HG2 ILE 631 -3.870 7.799 -12.798 270 HG22 ILE 631 2HG2 ILE 631 -5.190 7.633 -13.955 271 HG23 ILE 631 3HG2 ILE 631 -5.455 8.545 -12.474 272 HD11 ILE 631 1HD1 ILE 631 -4.950 3.101 -13.301 273 HD12 ILE 631 2HD1 ILE 631 -4.693 3.560 -11.604 274 HD13 ILE 631 3HD1 ILE 631 -6.288 3.788 -12.360 275 H ARG 632 H ARG 632 -3.069 8.056 -10.605 276 HA ARG 632 HA ARG 632 -4.652 9.975 -8.932 277 HB2 ARG 632 1HB ARG 632 -1.636 9.816 -9.309 278 HB3 ARG 632 2HB ARG 632 -2.505 10.885 -8.205 279 HG2 ARG 632 1HG ARG 632 -2.392 7.843 -8.041 280 HG3 ARG 632 2HG ARG 632 -1.467 8.942 -7.013 281 HD2 ARG 632 1HD ARG 632 -4.498 8.680 -7.082 282 HD3 ARG 632 2HD ARG 632 -3.402 7.996 -5.864 283 HE ARG 632 HE ARG 632 -3.062 10.861 -6.178 284 HH11 ARG 632 1HH1 ARG 632 -5.029 8.437 -4.529 285 HH12 ARG 632 2HH1 ARG 632 -5.540 9.559 -3.298 286 HH21 ARG 632 1HH2 ARG 632 -3.730 12.223 -4.559 287 HH22 ARG 632 2HH2 ARG 632 -4.796 11.656 -3.303 288 H HIS 633 H HIS 633 -2.466 9.678 -11.763 289 HA HIS 633 HA HIS 633 -3.699 12.145 -12.890 290 HB2 HIS 633 1HB HIS 633 -0.698 11.671 -12.819 291 HB3 HIS 633 2HB HIS 633 -1.545 13.111 -13.399 292 HD1 HIS 633 HD1 HIS 633 -2.900 14.462 -11.374 293 HD2 HIS 633 HD2 HIS 633 0.096 11.808 -10.248 294 HE1 HIS 633 HE1 HIS 633 -2.282 15.032 -8.993 295 H TYR 634 H TYR 634 -3.067 12.473 -15.190 296 HA TYR 634 HA TYR 634 -2.255 9.940 -16.573 297 HB2 TYR 634 1HB TYR 634 -4.271 12.009 -17.490 298 HB3 TYR 634 2HB TYR 634 -3.714 10.622 -18.431 299 HD1 TYR 634 HD1 TYR 634 -6.152 11.812 -16.111 300 HD2 TYR 634 HD2 TYR 634 -4.084 8.276 -17.405 301 HE1 TYR 634 HE1 TYR 634 -7.958 10.394 -15.155 302 HE2 TYR 634 HE2 TYR 634 -5.864 6.886 -16.402 303 HH TYR 634 HH TYR 634 -8.783 8.376 -14.876 304 H LEU 635 H LEU 635 -0.974 10.191 -18.356 305 HA LEU 635 HA LEU 635 0.057 12.948 -18.877 306 HB2 LEU 635 1HB LEU 635 1.698 10.407 -18.696 307 HB3 LEU 635 2HB LEU 635 2.299 12.002 -19.046 308 HG LEU 635 HG LEU 635 1.276 12.514 -16.616 309 HD11 LEU 635 1HD1 LEU 635 1.696 10.644 -15.052 310 HD12 LEU 635 2HD1 LEU 635 2.091 9.575 -16.418 311 HD13 LEU 635 3HD1 LEU 635 0.443 10.192 -16.217 312 HD21 LEU 635 1HD2 LEU 635 3.554 12.063 -15.710 313 HD22 LEU 635 2HD2 LEU 635 3.584 12.909 -17.270 314 HD23 LEU 635 3HD2 LEU 635 3.941 11.172 -17.204 315 H VAL 636 H VAL 636 0.089 13.377 -21.067 316 HA VAL 636 HA VAL 636 -0.240 11.092 -22.966 317 HB VAL 636 HB VAL 636 -1.749 13.727 -23.275 318 HG11 VAL 636 1HG1 VAL 636 -3.140 12.311 -24.854 319 HG12 VAL 636 2HG1 VAL 636 -1.456 12.536 -25.371 320 HG13 VAL 636 3HG1 VAL 636 -1.965 11.003 -24.628 321 HG21 VAL 636 1HG2 VAL 636 -3.815 12.479 -22.582 322 HG22 VAL 636 2HG2 VAL 636 -2.773 11.150 -22.031 323 HG23 VAL 636 3HG2 VAL 636 -2.666 12.747 -21.259 324 H ARG 637 H ARG 637 0.913 11.319 -24.891 325 HA ARG 637 HA ARG 637 2.243 13.961 -25.376 326 HB2 ARG 637 1HB ARG 637 3.644 12.228 -24.059 327 HB3 ARG 637 2HB ARG 637 3.649 11.277 -25.548 328 HG2 ARG 637 1HG ARG 637 4.644 13.283 -26.687 329 HG3 ARG 637 2HG ARG 637 4.797 14.021 -25.091 330 HD2 ARG 637 1HD ARG 637 6.150 12.097 -24.340 331 HD3 ARG 637 2HD ARG 637 6.004 11.381 -25.955 332 HE ARG 637 HE ARG 637 7.499 12.954 -26.817 333 HH11 ARG 637 1HH1 ARG 637 6.824 13.747 -23.430 334 HH12 ARG 637 2HH1 ARG 637 8.195 14.814 -23.323 335 HH21 ARG 637 1HH2 ARG 637 9.190 14.369 -26.604 336 HH22 ARG 637 2HH2 ARG 637 9.490 15.181 -25.092 337 H TYR 638 H TYR 638 2.163 14.469 -27.601 338 HA TYR 638 HA TYR 638 1.788 12.243 -29.502 339 HB2 TYR 638 1HB TYR 638 -0.171 13.265 -30.566 340 HB3 TYR 638 2HB TYR 638 -0.493 12.748 -28.910 341 HD1 TYR 638 HD1 TYR 638 -0.853 15.399 -31.264 342 HD2 TYR 638 HD2 TYR 638 -0.352 14.649 -27.051 343 HE1 TYR 638 HE1 TYR 638 -1.842 17.639 -30.726 344 HE2 TYR 638 HE2 TYR 638 -1.312 16.884 -26.559 345 HH TYR 638 HH TYR 638 -2.674 18.989 -29.033 346 H ARG 639 H ARG 639 1.975 12.801 -31.729 347 HA ARG 639 HA ARG 639 3.329 15.381 -32.380 348 HB2 ARG 639 1HB ARG 639 5.172 14.087 -31.625 349 HB3 ARG 639 2HB ARG 639 4.587 12.619 -32.361 350 HG2 ARG 639 1HG ARG 639 5.259 14.799 -34.243 351 HG3 ARG 639 2HG ARG 639 6.610 14.128 -33.330 352 HD2 ARG 639 1HD ARG 639 6.358 12.009 -34.220 353 HD3 ARG 639 2HD ARG 639 4.637 12.244 -34.574 354 HE ARG 639 HE ARG 639 6.013 14.062 -36.195 355 HH11 ARG 639 1HH1 ARG 639 5.780 10.533 -35.882 356 HH12 ARG 639 2HH1 ARG 639 6.160 10.290 -37.574 357 HH21 ARG 639 1HH2 ARG 639 6.467 13.662 -38.310 358 HH22 ARG 639 2HH2 ARG 639 6.541 12.029 -38.922 359 H ALA 640 H ALA 640 3.433 15.634 -34.742 360 HA ALA 640 HA ALA 640 1.728 13.706 -36.245 361 HB1 ALA 640 1HB ALA 640 0.434 15.715 -35.394 362 HB2 ALA 640 2HB ALA 640 1.470 16.715 -36.443 363 HB3 ALA 640 3HB ALA 640 0.424 15.463 -37.150 364 H LEU 641 H LEU 641 1.829 14.329 -38.728 365 HA LEU 641 HA LEU 641 4.581 14.106 -39.469 366 HB2 LEU 641 1HB LEU 641 2.255 15.025 -41.188 367 HB3 LEU 641 2HB LEU 641 3.837 14.545 -41.776 368 HG LEU 641 HG LEU 641 1.680 12.794 -40.632 369 HD11 LEU 641 1HD1 LEU 641 1.828 11.685 -42.793 370 HD12 LEU 641 2HD1 LEU 641 3.174 12.748 -43.266 371 HD13 LEU 641 3HD1 LEU 641 1.551 13.427 -43.011 372 HD21 LEU 641 1HD2 LEU 641 4.535 11.961 -41.238 373 HD22 LEU 641 2HD2 LEU 641 3.174 10.850 -40.927 374 HD23 LEU 641 3HD2 LEU 641 3.733 11.935 -39.644 375 H SER 642 H SER 642 2.406 16.938 -39.347 376 HA SER 642 HA SER 642 4.704 18.653 -40.174 377 HB2 SER 642 1HB SER 642 1.738 19.288 -39.981 378 HB3 SER 642 2HB SER 642 3.008 20.344 -40.639 379 HG SER 642 HG SER 642 3.434 18.469 -42.097 380 H SER 643 H SER 643 3.696 17.511 -37.289 381 HA SER 643 HA SER 643 4.366 20.089 -35.970 382 HB2 SER 643 1HB SER 643 1.799 19.553 -36.132 383 HB3 SER 643 2HB SER 643 2.172 18.407 -34.825 384 HG SER 643 HG SER 643 2.567 21.213 -34.862 385 H GLU 644 H GLU 644 5.395 19.972 -34.054 386 HA GLU 644 HA GLU 644 7.002 17.627 -33.653 387 HB2 GLU 644 1HB GLU 644 6.667 20.125 -31.963 388 HB3 GLU 644 2HB GLU 644 7.976 18.948 -31.806 389 HG2 GLU 644 1HG GLU 644 8.691 19.463 -34.119 390 HG3 GLU 644 2HG GLU 644 7.433 20.713 -34.207 391 H TRP 645 H TRP 645 7.498 16.801 -31.422 392 HA TRP 645 HA TRP 645 5.205 15.586 -30.199 393 HB2 TRP 645 1HB TRP 645 8.107 15.909 -29.348 394 HB3 TRP 645 2HB TRP 645 6.905 15.142 -28.309 395 HD1 TRP 645 HD1 TRP 645 9.226 14.350 -31.137 396 HE1 TRP 645 HE1 TRP 645 8.969 11.937 -31.908 397 HE3 TRP 645 HE3 TRP 645 4.893 13.276 -28.654 398 HZ2 TRP 645 HZ2 TRP 645 7.107 9.807 -31.519 399 HZ3 TRP 645 HZ3 TRP 645 3.900 10.986 -28.891 400 HH2 TRP 645 HH2 TRP 645 5.016 9.278 -30.327 401 H LYS 646 H LYS 646 3.812 16.433 -28.824 402 HA LYS 646 HA LYS 646 4.286 19.055 -27.595 403 HB2 LYS 646 1HB LYS 646 2.101 16.950 -27.428 404 HB3 LYS 646 2HB LYS 646 2.166 18.263 -26.249 405 HG2 LYS 646 1HG LYS 646 0.635 18.937 -27.968 406 HG3 LYS 646 2HG LYS 646 2.098 19.917 -28.147 407 HD2 LYS 646 1HD LYS 646 2.865 18.401 -29.960 408 HD3 LYS 646 2HD LYS 646 1.376 17.462 -29.798 409 HE2 LYS 646 1HE LYS 646 0.070 19.440 -30.446 410 HE3 LYS 646 2HE LYS 646 1.573 20.395 -30.549 411 HZ1 LYS 646 1HZ LYS 646 1.007 19.580 -32.715 412 HZ2 LYS 646 2HZ LYS 646 0.896 18.024 -32.180 413 HZ3 LYS 646 3HZ LYS 646 2.362 18.781 -32.210 414 HA PRO 647 HA PRO 647 6.589 17.386 -24.319 415 HB2 PRO 647 1HB PRO 647 5.961 18.916 -22.112 416 HB3 PRO 647 2HB PRO 647 6.964 19.496 -23.477 417 HG2 PRO 647 1HG PRO 647 4.023 19.936 -22.987 418 HG3 PRO 647 2HG PRO 647 5.287 21.122 -23.440 419 HD2 PRO 647 1HD PRO 647 3.617 20.038 -25.273 420 HD3 PRO 647 2HD PRO 647 5.339 20.394 -25.660 421 H GLU 648 H GLU 648 3.578 18.230 -22.474 422 HA GLU 648 HA GLU 648 2.806 15.434 -22.297 423 HB2 GLU 648 1HB GLU 648 4.718 16.010 -20.511 424 HB3 GLU 648 2HB GLU 648 3.361 16.734 -19.643 425 HG2 GLU 648 1HG GLU 648 3.556 14.525 -18.835 426 HG3 GLU 648 2HG GLU 648 2.154 14.525 -19.920 427 H ILE 649 H ILE 649 0.588 15.354 -21.762 428 HA ILE 649 HA ILE 649 -0.641 18.025 -21.237 429 HB ILE 649 HB ILE 649 -2.184 15.631 -22.263 430 HG12 ILE 649 1HG1 ILE 649 -0.376 15.989 -23.884 431 HG13 ILE 649 2HG1 ILE 649 -1.921 16.481 -24.540 432 HG21 ILE 649 1HG2 ILE 649 -2.651 18.654 -22.553 433 HG22 ILE 649 2HG2 ILE 649 -3.749 17.355 -23.073 434 HG23 ILE 649 3HG2 ILE 649 -3.433 17.627 -21.353 435 HD11 ILE 649 1HD1 ILE 649 0.138 18.474 -23.433 436 HD12 ILE 649 2HD1 ILE 649 -0.002 18.027 -25.140 437 HD13 ILE 649 3HD1 ILE 649 -1.344 18.860 -24.339 438 H ARG 650 H ARG 650 -1.709 18.399 -19.492 439 HA ARG 650 HA ARG 650 -1.339 16.680 -17.171 440 HB2 ARG 650 1HB ARG 650 -2.154 18.808 -16.089 441 HB3 ARG 650 2HB ARG 650 -0.821 19.055 -17.235 442 HG2 ARG 650 1HG ARG 650 -3.202 19.297 -18.863 443 HG3 ARG 650 2HG ARG 650 -3.597 20.109 -17.337 444 HD2 ARG 650 1HD ARG 650 -1.066 20.793 -18.866 445 HD3 ARG 650 2HD ARG 650 -2.600 21.691 -18.985 446 HE ARG 650 HE ARG 650 -1.904 21.413 -16.240 447 HH11 ARG 650 1HH1 ARG 650 -0.817 23.215 -19.072 448 HH12 ARG 650 2HH1 ARG 650 -0.188 24.525 -18.109 449 HH21 ARG 650 1HH2 ARG 650 -1.077 23.111 -15.080 450 HH22 ARG 650 2HH2 ARG 650 -0.334 24.464 -15.888 451 H LEU 651 H LEU 651 -3.024 14.998 -16.839 452 HA LEU 651 HA LEU 651 -5.701 16.287 -16.520 453 HB2 LEU 651 1HB LEU 651 -5.056 13.856 -18.129 454 HB3 LEU 651 2HB LEU 651 -6.658 14.106 -17.458 455 HG LEU 651 HG LEU 651 -6.666 14.760 -19.740 456 HD11 LEU 651 1HD1 LEU 651 -7.994 16.131 -18.141 457 HD12 LEU 651 2HD1 LEU 651 -7.581 16.964 -19.652 458 HD13 LEU 651 3HD1 LEU 651 -6.685 17.351 -18.167 459 HD21 LEU 651 1HD2 LEU 651 -5.306 16.235 -20.912 460 HD22 LEU 651 2HD2 LEU 651 -4.127 15.433 -19.864 461 HD23 LEU 651 3HD2 LEU 651 -4.680 17.113 -19.470 462 HA PRO 652 HA PRO 652 -5.768 14.322 -12.651 463 HB2 PRO 652 1HB PRO 652 -8.325 14.768 -11.887 464 HB3 PRO 652 2HB PRO 652 -7.205 16.150 -12.156 465 HG2 PRO 652 1HG PRO 652 -9.224 14.954 -14.052 466 HG3 PRO 652 2HG PRO 652 -9.053 16.652 -13.554 467 HD2 PRO 652 1HD PRO 652 -7.955 15.722 -15.844 468 HD3 PRO 652 2HD PRO 652 -7.123 16.960 -14.844 469 H SER 653 H SER 653 -6.762 12.516 -11.465 470 HA SER 653 HA SER 653 -7.200 10.220 -13.017 471 HB2 SER 653 1HB SER 653 -8.053 9.279 -10.845 472 HB3 SER 653 2HB SER 653 -6.475 10.091 -10.757 473 HG SER 653 HG SER 653 -8.035 10.652 -9.080 474 H GLY 654 H GLY 654 -9.559 12.614 -11.975 475 HA2 GLY 654 1HA GLY 654 -11.832 10.846 -12.330 476 HA3 GLY 654 2HA GLY 654 -11.875 12.587 -12.049 477 H SER 655 H SER 655 -9.828 12.192 -14.642 478 HA SER 655 HA SER 655 -11.943 12.978 -16.524 479 HB2 SER 655 1HB SER 655 -9.459 13.837 -16.338 480 HB3 SER 655 2HB SER 655 -9.072 12.388 -17.281 481 HG SER 655 HG SER 655 -10.430 13.153 -18.926 482 H ASP 656 H ASP 656 -13.214 11.278 -17.316 483 HA ASP 656 HA ASP 656 -12.134 8.561 -17.324 484 HB2 ASP 656 1HB ASP 656 -14.282 7.846 -17.772 485 HB3 ASP 656 2HB ASP 656 -14.587 9.336 -16.868 486 H HIS 657 H HIS 657 -12.239 11.164 -19.545 487 HA HIS 657 HA HIS 657 -10.940 9.501 -21.583 488 HB2 HIS 657 1HB HIS 657 -12.360 9.977 -23.362 489 HB3 HIS 657 2HB HIS 657 -13.503 9.616 -22.068 490 HD1 HIS 657 HD1 HIS 657 -12.366 12.347 -24.352 491 HD2 HIS 657 HD2 HIS 657 -14.880 11.907 -21.064 492 HE1 HIS 657 HE1 HIS 657 -13.773 14.439 -24.231 493 H VAL 658 H VAL 658 -10.074 11.094 -23.299 494 HA VAL 658 HA VAL 658 -9.780 13.844 -22.196 495 HB VAL 658 HB VAL 658 -7.761 12.482 -21.500 496 HG11 VAL 658 1HG1 VAL 658 -6.148 11.710 -23.129 497 HG12 VAL 658 2HG1 VAL 658 -7.716 10.956 -23.466 498 HG13 VAL 658 3HG1 VAL 658 -7.149 12.310 -24.470 499 HG21 VAL 658 1HG2 VAL 658 -7.073 14.607 -23.554 500 HG22 VAL 658 2HG2 VAL 658 -7.629 14.930 -21.892 501 HG23 VAL 658 3HG2 VAL 658 -6.097 14.078 -22.165 502 H MET 659 H MET 659 -9.412 15.396 -23.907 503 HA MET 659 HA MET 659 -9.700 14.276 -26.663 504 HB2 MET 659 1HB MET 659 -11.826 15.347 -25.910 505 HB3 MET 659 2HB MET 659 -10.942 16.864 -25.662 506 HG2 MET 659 1HG MET 659 -10.458 17.064 -27.996 507 HG3 MET 659 2HG MET 659 -10.917 15.386 -28.293 508 HE1 MET 659 1HE MET 659 -13.776 16.546 -30.345 509 HE2 MET 659 2HE MET 659 -12.139 17.231 -30.410 510 HE3 MET 659 3HE MET 659 -12.349 15.488 -30.136 511 H LEU 660 H LEU 660 -8.147 14.919 -27.989 512 HA LEU 660 HA LEU 660 -6.216 16.954 -26.933 513 HB2 LEU 660 1HB LEU 660 -5.911 14.828 -29.082 514 HB3 LEU 660 2HB LEU 660 -4.647 15.929 -28.542 515 HG LEU 660 HG LEU 660 -5.941 13.764 -26.845 516 HD11 LEU 660 1HD1 LEU 660 -3.239 13.939 -28.213 517 HD12 LEU 660 2HD1 LEU 660 -4.605 12.904 -28.700 518 HD13 LEU 660 3HD1 LEU 660 -3.792 12.632 -27.144 519 HD21 LEU 660 1HD2 LEU 660 -3.567 15.601 -26.282 520 HD22 LEU 660 2HD2 LEU 660 -4.080 14.238 -25.267 521 HD23 LEU 660 3HD2 LEU 660 -5.143 15.639 -25.455 522 H LYS 661 H LYS 661 -5.638 18.654 -28.256 523 HA LYS 661 HA LYS 661 -7.071 18.936 -30.868 524 HB2 LYS 661 1HB LYS 661 -6.815 21.002 -28.637 525 HB3 LYS 661 2HB LYS 661 -7.288 21.395 -30.293 526 HG2 LYS 661 1HG LYS 661 -8.984 19.272 -29.419 527 HG3 LYS 661 2HG LYS 661 -8.944 20.484 -28.132 528 HD2 LYS 661 1HD LYS 661 -9.626 22.227 -29.686 529 HD3 LYS 661 2HD LYS 661 -9.486 21.104 -31.062 530 HE2 LYS 661 1HE LYS 661 -11.226 19.680 -30.105 531 HE3 LYS 661 2HE LYS 661 -11.373 20.760 -28.710 532 HZ1 LYS 661 1HZ LYS 661 -12.142 22.500 -30.209 533 HZ2 LYS 661 2HZ LYS 661 -13.107 21.167 -30.367 534 HZ3 LYS 661 3HZ LYS 661 -11.976 21.510 -31.518 535 H SER 662 H SER 662 -5.942 21.075 -31.854 536 HA SER 662 HA SER 662 -4.027 21.840 -32.875 537 HB2 SER 662 1HB SER 662 -2.706 21.357 -30.185 538 HB3 SER 662 2HB SER 662 -2.183 22.483 -31.456 539 HG SER 662 HG SER 662 -3.367 23.598 -29.898 540 H LEU 663 H LEU 663 -4.497 19.415 -33.685 541 HA LEU 663 HA LEU 663 -1.813 18.184 -33.966 542 HB2 LEU 663 1HB LEU 663 -2.925 15.939 -33.902 543 HB3 LEU 663 2HB LEU 663 -2.874 16.768 -32.362 544 HG LEU 663 HG LEU 663 -5.337 17.467 -32.877 545 HD11 LEU 663 1HD1 LEU 663 -4.927 15.145 -34.770 546 HD12 LEU 663 2HD1 LEU 663 -5.640 16.725 -35.117 547 HD13 LEU 663 3HD1 LEU 663 -6.515 15.569 -34.098 548 HD21 LEU 663 1HD2 LEU 663 -4.544 15.986 -31.072 549 HD22 LEU 663 2HD2 LEU 663 -4.544 14.607 -32.201 550 HD23 LEU 663 3HD2 LEU 663 -6.071 15.409 -31.765 551 H ASP 664 H ASP 664 -1.753 16.954 -36.046 552 HA ASP 664 HA ASP 664 -3.053 18.512 -38.097 553 HB2 ASP 664 1HB ASP 664 -1.582 15.841 -38.286 554 HB3 ASP 664 2HB ASP 664 -2.073 16.849 -39.653 555 H TRP 665 H TRP 665 -4.887 17.973 -39.292 556 HA TRP 665 HA TRP 665 -6.228 15.404 -38.490 557 HB2 TRP 665 1HB TRP 665 -8.344 16.543 -39.169 558 HB3 TRP 665 2HB TRP 665 -7.541 17.284 -37.782 559 HD1 TRP 665 HD1 TRP 665 -6.378 19.698 -38.174 560 HE1 TRP 665 HE1 TRP 665 -6.740 21.545 -39.869 561 HE3 TRP 665 HE3 TRP 665 -8.994 16.969 -41.627 562 HZ2 TRP 665 HZ2 TRP 665 -7.976 21.819 -42.435 563 HZ3 TRP 665 HZ3 TRP 665 -9.760 18.111 -43.722 564 HH2 TRP 665 HH2 TRP 665 -9.236 20.515 -44.114 565 H ASN 666 H ASN 666 -5.164 17.520 -41.067 566 HA ASN 666 HA ASN 666 -6.250 15.770 -43.179 567 HB2 ASN 666 1HB ASN 666 -5.359 17.498 -44.675 568 HB3 ASN 666 2HB ASN 666 -6.323 18.253 -43.396 569 HD21 ASN 666 1HD2 ASN 666 -2.610 19.461 -43.991 570 HD22 ASN 666 2HD2 ASN 666 -3.571 18.535 -45.122 571 H ALA 667 H ALA 667 -3.797 15.424 -41.123 572 HA ALA 667 HA ALA 667 -2.148 13.945 -43.065 573 HB1 ALA 667 1HB ALA 667 -0.067 14.936 -42.359 574 HB2 ALA 667 2HB ALA 667 -1.126 16.284 -42.814 575 HB3 ALA 667 3HB ALA 667 -0.861 15.893 -41.102 576 H GLU 668 H GLU 668 -0.518 12.645 -41.660 577 HA GLU 668 HA GLU 668 -2.180 11.256 -39.709 578 HB2 GLU 668 1HB GLU 668 -0.813 10.233 -41.559 579 HB3 GLU 668 2HB GLU 668 0.645 10.682 -40.679 580 HG2 GLU 668 1HG GLU 668 0.420 9.017 -39.177 581 HG3 GLU 668 2HG GLU 668 -1.352 9.124 -39.153 582 H TYR 669 H TYR 669 -1.725 10.821 -37.551 583 HA TYR 669 HA TYR 669 0.700 12.018 -36.379 584 HB2 TYR 669 1HB TYR 669 -0.527 13.220 -34.657 585 HB3 TYR 669 2HB TYR 669 -0.984 13.808 -36.255 586 HD1 TYR 669 HD1 TYR 669 -3.197 13.318 -37.201 587 HD2 TYR 669 HD2 TYR 669 -2.130 12.088 -33.223 588 HE1 TYR 669 HE1 TYR 669 -5.582 12.997 -36.663 589 HE2 TYR 669 HE2 TYR 669 -4.542 11.755 -32.690 590 HH TYR 669 HH TYR 669 -7.096 12.470 -35.080 591 H GLU 670 H GLU 670 1.077 11.343 -34.189 592 HA GLU 670 HA GLU 670 -0.215 8.711 -33.564 593 HB2 GLU 670 1HB GLU 670 1.979 7.966 -32.745 594 HB3 GLU 670 2HB GLU 670 2.045 8.389 -34.461 595 HG2 GLU 670 1HG GLU 670 3.001 10.635 -33.802 596 HG3 GLU 670 2HG GLU 670 3.107 10.041 -32.138 597 H VAL 671 H VAL 671 -0.622 8.293 -31.404 598 HA VAL 671 HA VAL 671 -0.087 10.533 -29.468 599 HB VAL 671 HB VAL 671 -2.640 8.885 -29.750 600 HG11 VAL 671 1HG1 VAL 671 -1.911 11.111 -27.803 601 HG12 VAL 671 2HG1 VAL 671 -3.541 10.422 -27.995 602 HG13 VAL 671 3HG1 VAL 671 -2.219 9.404 -27.407 603 HG21 VAL 671 1HG2 VAL 671 -2.560 10.529 -31.530 604 HG22 VAL 671 2HG2 VAL 671 -3.743 11.048 -30.317 605 HG23 VAL 671 3HG2 VAL 671 -2.142 11.817 -30.378 606 H TYR 672 H TYR 672 0.860 9.829 -27.641 607 HA TYR 672 HA TYR 672 0.576 6.934 -26.888 608 HB2 TYR 672 1HB TYR 672 2.843 8.924 -26.551 609 HB3 TYR 672 2HB TYR 672 2.688 7.501 -25.508 610 HD1 TYR 672 HD1 TYR 672 3.501 5.395 -26.202 611 HD2 TYR 672 HD2 TYR 672 2.929 8.513 -29.098 612 HE1 TYR 672 HE1 TYR 672 4.543 3.953 -27.947 613 HE2 TYR 672 HE2 TYR 672 4.023 7.080 -30.847 614 HH TYR 672 HH TYR 672 5.145 3.764 -30.152 615 H VAL 673 H VAL 673 -0.060 6.537 -24.772 616 HA VAL 673 HA VAL 673 -0.463 8.863 -22.981 617 HB VAL 673 HB VAL 673 -2.565 8.856 -24.176 618 HG11 VAL 673 1HG1 VAL 673 -2.590 6.803 -25.351 619 HG12 VAL 673 2HG1 VAL 673 -2.509 5.842 -23.863 620 HG13 VAL 673 3HG1 VAL 673 -3.996 6.729 -24.270 621 HG21 VAL 673 1HG2 VAL 673 -2.697 9.014 -21.665 622 HG22 VAL 673 2HG2 VAL 673 -4.183 8.435 -22.445 623 HG23 VAL 673 3HG2 VAL 673 -3.107 7.291 -21.624 624 H VAL 674 H VAL 674 -0.345 8.324 -20.849 625 HA VAL 674 HA VAL 674 -0.335 5.433 -20.122 626 HB VAL 674 HB VAL 674 1.584 5.836 -18.545 627 HG11 VAL 674 1HG1 VAL 674 2.147 6.238 -21.500 628 HG12 VAL 674 2HG1 VAL 674 3.400 5.891 -20.278 629 HG13 VAL 674 3HG1 VAL 674 2.107 4.721 -20.568 630 HG21 VAL 674 1HG2 VAL 674 3.053 7.777 -18.876 631 HG22 VAL 674 2HG2 VAL 674 1.917 8.449 -20.065 632 HG23 VAL 674 3HG2 VAL 674 1.430 8.269 -18.363 633 H ALA 675 H ALA 675 -0.698 5.140 -17.829 634 HA ALA 675 HA ALA 675 -2.171 7.433 -16.579 635 HB1 ALA 675 1HB ALA 675 -3.542 5.401 -17.212 636 HB2 ALA 675 2HB ALA 675 -2.538 4.450 -16.093 637 HB3 ALA 675 3HB ALA 675 -3.538 5.786 -15.482 638 H GLU 676 H GLU 676 -1.665 7.793 -14.358 639 HA GLU 676 HA GLU 676 0.665 6.213 -13.335 640 HB2 GLU 676 1HB GLU 676 1.489 8.309 -14.214 641 HB3 GLU 676 2HB GLU 676 0.247 9.221 -13.360 642 HG2 GLU 676 1HG GLU 676 1.362 9.207 -11.432 643 HG3 GLU 676 2HG GLU 676 1.979 7.557 -11.658 644 H ASN 677 H ASN 677 0.139 5.246 -11.499 645 HA ASN 677 HA ASN 677 -1.993 6.548 -9.868 646 HB2 ASN 677 1HB ASN 677 -2.619 4.480 -8.936 647 HB3 ASN 677 2HB ASN 677 -2.473 4.191 -10.667 648 HD21 ASN 677 1HD2 ASN 677 -0.949 1.292 -9.117 649 HD22 ASN 677 2HD2 ASN 677 -2.530 2.007 -9.367 650 H GLN 678 H GLN 678 -1.479 5.733 -7.385 651 HA GLN 678 HA GLN 678 0.806 7.378 -6.817 652 HB2 GLN 678 1HB GLN 678 0.187 6.640 -4.382 653 HB3 GLN 678 2HB GLN 678 -0.798 7.779 -5.325 654 HG2 GLN 678 1HG GLN 678 -2.435 6.108 -5.826 655 HG3 GLN 678 2HG GLN 678 -1.431 4.821 -5.115 656 HE21 GLN 678 1HE2 GLN 678 -2.221 5.705 -1.759 657 HE22 GLN 678 2HE2 GLN 678 -0.975 5.009 -2.768 658 H GLN 679 H GLN 679 0.915 4.289 -7.831 659 HA GLN 679 HA GLN 679 3.276 3.614 -6.119 660 HB2 GLN 679 1HB GLN 679 1.149 1.997 -7.455 661 HB3 GLN 679 2HB GLN 679 2.789 1.358 -7.517 662 HG2 GLN 679 1HG GLN 679 1.697 0.418 -5.630 663 HG3 GLN 679 2HG GLN 679 2.953 1.526 -5.074 664 HE21 GLN 679 1HE2 GLN 679 -0.906 2.926 -4.722 665 HE22 GLN 679 2HE2 GLN 679 -0.357 2.212 -6.222 666 H GLY 680 H GLY 680 2.107 4.038 -9.483 667 HA2 GLY 680 1HA GLY 680 4.640 4.694 -10.496 668 HA3 GLY 680 2HA GLY 680 4.449 2.952 -10.703 669 H LYS 681 H LYS 681 4.690 3.591 -13.005 670 HA LYS 681 HA LYS 681 2.302 4.924 -14.181 671 HB2 LYS 681 1HB LYS 681 5.020 4.161 -15.276 672 HB3 LYS 681 2HB LYS 681 3.733 4.869 -16.251 673 HG2 LYS 681 1HG LYS 681 4.202 6.436 -13.848 674 HG3 LYS 681 2HG LYS 681 5.695 6.211 -14.781 675 HD2 LYS 681 1HD LYS 681 3.981 6.802 -16.797 676 HD3 LYS 681 2HD LYS 681 3.217 7.708 -15.477 677 HE2 LYS 681 1HE LYS 681 6.151 7.825 -16.167 678 HE3 LYS 681 2HE LYS 681 4.948 8.952 -16.826 679 HZ1 LYS 681 1HZ LYS 681 5.489 8.609 -13.928 680 HZ2 LYS 681 2HZ LYS 681 4.495 9.728 -14.602 681 HZ3 LYS 681 3HZ LYS 681 6.125 9.820 -14.858 682 H SER 682 H SER 682 1.399 4.160 -16.148 683 HA SER 682 HA SER 682 1.079 1.216 -16.138 684 HB2 SER 682 1HB SER 682 -0.840 1.579 -17.457 685 HB3 SER 682 2HB SER 682 -0.839 2.966 -16.372 686 HG SER 682 HG SER 682 0.015 2.876 -19.083 687 H LYS 683 H LYS 683 1.144 0.082 -18.274 688 HA LYS 683 HA LYS 683 3.507 0.783 -19.810 689 HB2 LYS 683 1HB LYS 683 2.326 -1.548 -19.603 690 HB3 LYS 683 2HB LYS 683 1.221 -0.909 -20.832 691 HG2 LYS 683 1HG LYS 683 3.234 -0.449 -22.291 692 HG3 LYS 683 2HG LYS 683 4.215 -1.337 -21.117 693 HD2 LYS 683 1HD LYS 683 1.799 -2.486 -22.573 694 HD3 LYS 683 2HD LYS 683 3.477 -2.676 -23.111 695 HE2 LYS 683 1HE LYS 683 4.018 -3.763 -20.915 696 HE3 LYS 683 2HE LYS 683 2.290 -3.690 -20.496 697 HZ1 LYS 683 1HZ LYS 683 3.432 -5.112 -22.838 698 HZ2 LYS 683 2HZ LYS 683 1.829 -5.043 -22.456 699 HZ3 LYS 683 3HZ LYS 683 2.882 -5.828 -21.457 700 H ALA 684 H ALA 684 3.534 1.851 -21.841 701 HA ALA 684 HA ALA 684 1.425 3.776 -22.271 702 HB1 ALA 684 1HB ALA 684 3.758 2.955 -24.049 703 HB2 ALA 684 2HB ALA 684 2.782 4.437 -24.203 704 HB3 ALA 684 3HB ALA 684 3.823 4.203 -22.780 705 H ALA 685 H ALA 685 -0.053 3.932 -23.865 706 HA ALA 685 HA ALA 685 -0.341 1.603 -25.732 707 HB1 ALA 685 1HB ALA 685 -2.208 1.688 -24.001 708 HB2 ALA 685 2HB ALA 685 -2.581 3.333 -24.568 709 HB3 ALA 685 3HB ALA 685 -2.771 1.951 -25.667 710 H HIS 686 H HIS 686 -0.740 2.341 -27.887 711 HA HIS 686 HA HIS 686 -0.784 5.247 -28.289 712 HB2 HIS 686 1HB HIS 686 1.061 5.165 -29.878 713 HB3 HIS 686 2HB HIS 686 1.563 4.668 -28.264 714 HD1 HIS 686 HD1 HIS 686 2.070 2.062 -27.912 715 HD2 HIS 686 HD2 HIS 686 1.404 3.264 -31.839 716 HE1 HIS 686 HE1 HIS 686 2.889 0.189 -29.395 717 H PHE 687 H PHE 687 -1.559 5.942 -30.282 718 HA PHE 687 HA PHE 687 -2.358 3.853 -32.198 719 HB2 PHE 687 1HB PHE 687 -4.638 4.258 -32.209 720 HB3 PHE 687 2HB PHE 687 -4.255 4.279 -30.485 721 HD1 PHE 687 HD1 PHE 687 -3.955 6.588 -29.343 722 HD2 PHE 687 HD2 PHE 687 -5.692 6.080 -33.248 723 HE1 PHE 687 HE1 PHE 687 -5.066 8.821 -29.143 724 HE2 PHE 687 HE2 PHE 687 -6.772 8.302 -33.064 725 HZ PHE 687 HZ PHE 687 -6.478 9.672 -31.009 726 H VAL 688 H VAL 688 -2.987 4.770 -34.270 727 HA VAL 688 HA VAL 688 -1.742 7.444 -34.742 728 HB VAL 688 HB VAL 688 -1.548 4.908 -36.456 729 HG11 VAL 688 1HG1 VAL 688 -1.586 6.923 -37.847 730 HG12 VAL 688 2HG1 VAL 688 -0.300 7.654 -36.855 731 HG13 VAL 688 3HG1 VAL 688 0.036 6.210 -37.838 732 HG21 VAL 688 1HG2 VAL 688 0.559 6.345 -34.775 733 HG22 VAL 688 2HG2 VAL 688 -0.098 4.714 -34.491 734 HG23 VAL 688 3HG2 VAL 688 0.902 5.028 -35.920 735 H PHE 689 H PHE 689 -2.911 8.769 -36.189 736 HA PHE 689 HA PHE 689 -5.259 7.601 -37.564 737 HB2 PHE 689 1HB PHE 689 -5.979 8.042 -35.221 738 HB3 PHE 689 2HB PHE 689 -5.524 9.735 -35.413 739 HD1 PHE 689 HD1 PHE 689 -6.963 11.286 -36.573 740 HD2 PHE 689 HD2 PHE 689 -7.899 7.094 -36.514 741 HE1 PHE 689 HE1 PHE 689 -9.223 11.800 -37.442 742 HE2 PHE 689 HE2 PHE 689 -10.165 7.592 -37.422 743 HZ PHE 689 HZ PHE 689 -10.832 9.955 -37.884 744 H ARG 690 H ARG 690 -6.317 9.037 -39.018 745 HA ARG 690 HA ARG 690 -5.479 11.809 -39.367 746 HB2 ARG 690 1HB ARG 690 -5.345 10.913 -42.007 747 HB3 ARG 690 2HB ARG 690 -4.031 11.564 -41.058 748 HG2 ARG 690 1HG ARG 690 -3.141 9.653 -41.968 749 HG3 ARG 690 2HG ARG 690 -3.556 9.149 -40.335 750 HD2 ARG 690 1HD ARG 690 -5.674 8.160 -41.247 751 HD3 ARG 690 2HD ARG 690 -5.105 8.588 -42.881 752 HE ARG 690 HE ARG 690 -3.042 7.192 -41.445 753 HH11 ARG 690 1HH1 ARG 690 -6.113 6.492 -43.074 754 HH12 ARG 690 2HH1 ARG 690 -5.647 4.849 -43.414 755 HH21 ARG 690 1HH2 ARG 690 -2.534 5.157 -41.892 756 HH22 ARG 690 2HH2 ARG 690 -3.631 4.090 -42.743 757 H THR 691 H THR 691 -7.064 12.827 -40.860 758 HA THR 691 HA THR 691 -9.327 11.038 -41.622 759 HB THR 691 HB THR 691 -9.930 12.128 -39.437 760 HG1 THR 691 HG1 THR 691 -11.938 12.803 -40.184 761 HG21 THR 691 1HG2 THR 691 -10.481 14.544 -39.450 762 HG22 THR 691 2HG2 THR 691 -9.693 14.702 -41.035 763 HG23 THR 691 3HG2 THR 691 -8.740 14.234 -39.607 764 H HIS 692 H HIS 692 -10.880 12.656 -42.992 765 HA HIS 692 HA HIS 692 -11.120 13.673 -45.017 766 HB2 HIS 692 1HB HIS 692 -10.118 15.557 -43.616 767 HB3 HIS 692 2HB HIS 692 -8.592 15.241 -44.449 768 HD1 HIS 692 HD1 HIS 692 -12.232 15.927 -45.517 769 HD2 HIS 692 HD2 HIS 692 -8.316 16.770 -46.631 770 HE1 HIS 692 HE1 HIS 692 -12.360 17.472 -47.510 771 H HIS 693 H HIS 693 -8.851 11.462 -44.517 772 HA HIS 693 HA HIS 693 -7.383 11.638 -47.059 773 HB2 HIS 693 1HB HIS 693 -7.495 9.660 -44.759 774 HB3 HIS 693 2HB HIS 693 -6.703 9.249 -46.285 775 HD1 HIS 693 HD1 HIS 693 -6.451 12.529 -44.285 776 HD2 HIS 693 HD2 HIS 693 -4.094 9.442 -45.771 777 HE1 HIS 693 HE1 HIS 693 -4.051 13.163 -43.833 778 H HIS 694 H HIS 694 -9.594 11.887 -48.082 779 HA HIS 694 HA HIS 694 -11.368 9.627 -48.219 780 HB2 HIS 694 1HB HIS 694 -10.947 12.000 -50.072 781 HB3 HIS 694 2HB HIS 694 -12.289 10.854 -50.204 782 HD1 HIS 694 HD1 HIS 694 -14.066 10.899 -48.179 783 HD2 HIS 694 HD2 HIS 694 -11.254 13.967 -48.175 784 HE1 HIS 694 HE1 HIS 694 -14.911 12.657 -46.574 785 H HIS 695 H HIS 695 -11.560 8.027 -49.788 786 HA HIS 695 HA HIS 695 -9.029 7.194 -50.930 787 HB2 HIS 695 1HB HIS 695 -11.809 5.982 -51.112 788 HB3 HIS 695 2HB HIS 695 -10.315 5.207 -51.657 789 HD1 HIS 695 HD1 HIS 695 -11.867 3.696 -49.560 790 HD2 HIS 695 HD2 HIS 695 -9.026 6.575 -48.584 791 HE1 HIS 695 HE1 HIS 695 -11.097 3.192 -47.207 792 H HIS 696 H HIS 696 -8.819 9.109 -52.340 793 HA HIS 696 HA HIS 696 -10.165 8.613 -54.977 794 HB2 HIS 696 1HB HIS 696 -10.673 10.821 -53.818 795 HB3 HIS 696 2HB HIS 696 -8.965 11.231 -53.995 796 HD1 HIS 696 HD1 HIS 696 -8.116 11.224 -56.646 797 HD2 HIS 696 HD2 HIS 696 -12.205 11.474 -55.945 798 HE1 HIS 696 HE1 HIS 696 -9.162 12.089 -58.773 799 H HIS 697 H HIS 697 -8.441 6.889 -54.968 800 HA HIS 697 HA HIS 697 -6.060 7.847 -56.376 801 HB2 HIS 697 1HB HIS 697 -5.584 7.885 -53.794 802 HB3 HIS 697 2HB HIS 697 -5.700 6.123 -53.897 803 HD1 HIS 697 HD1 HIS 697 -4.116 5.505 -56.432 804 HD2 HIS 697 HD2 HIS 697 -2.899 8.375 -53.659 805 HE1 HIS 697 HE1 HIS 697 -1.615 5.773 -56.731 Start of MODEL 15 1 H1 MET 595 1H MET 595 3.864 -1.287 -0.079 2 H2 MET 595 2H MET 595 5.367 -1.330 -0.760 3 H3 MET 595 3H MET 595 4.685 0.117 -0.357 4 HA MET 595 HA MET 595 2.956 -0.152 -1.990 5 HB2 MET 595 1HB MET 595 4.245 0.279 -3.931 6 HB3 MET 595 2HB MET 595 5.151 0.947 -2.573 7 HG2 MET 595 1HG MET 595 5.730 -1.713 -3.943 8 HG3 MET 595 2HG MET 595 6.577 -0.199 -4.271 9 HE1 MET 595 1HE MET 595 8.853 0.365 -1.198 10 HE2 MET 595 2HE MET 595 8.561 0.736 -2.913 11 HE3 MET 595 3HE MET 595 7.372 1.225 -1.682 12 H GLN 596 H GLN 596 4.711 -3.052 -1.233 13 HA GLN 596 HA GLN 596 4.378 -4.576 -3.526 14 HB2 GLN 596 1HB GLN 596 4.193 -5.500 -0.641 15 HB3 GLN 596 2HB GLN 596 4.561 -6.511 -2.040 16 HG2 GLN 596 1HG GLN 596 6.707 -6.142 -1.416 17 HG3 GLN 596 2HG GLN 596 6.511 -4.634 -2.317 18 HE21 GLN 596 1HE2 GLN 596 7.603 -4.430 1.463 19 HE22 GLN 596 2HE2 GLN 596 7.832 -5.775 0.372 20 HA PRO 597 HA PRO 597 0.281 -6.335 -2.318 21 HB2 PRO 597 1HB PRO 597 -1.590 -5.075 -0.834 22 HB3 PRO 597 2HB PRO 597 -0.242 -5.981 -0.071 23 HG2 PRO 597 1HG PRO 597 -0.462 -3.041 -0.624 24 HG3 PRO 597 2HG PRO 597 -0.079 -3.872 0.916 25 HD2 PRO 597 1HD PRO 597 1.855 -2.902 -0.720 26 HD3 PRO 597 2HD PRO 597 2.086 -4.415 0.221 27 H VAL 598 H VAL 598 0.829 -3.227 -3.560 28 HA VAL 598 HA VAL 598 -1.766 -3.324 -5.022 29 HB VAL 598 HB VAL 598 -2.211 -1.347 -4.001 30 HG11 VAL 598 1HG1 VAL 598 -0.468 -1.484 -2.328 31 HG12 VAL 598 2HG1 VAL 598 0.746 -0.912 -3.501 32 HG13 VAL 598 3HG1 VAL 598 -0.551 0.170 -2.953 33 HG21 VAL 598 1HG2 VAL 598 -1.514 0.623 -5.212 34 HG22 VAL 598 2HG2 VAL 598 -0.071 -0.200 -5.840 35 HG23 VAL 598 3HG2 VAL 598 -1.687 -0.698 -6.375 36 H ARG 599 H ARG 599 -1.606 -3.528 -7.139 37 HA ARG 599 HA ARG 599 1.088 -3.549 -8.329 38 HB2 ARG 599 1HB ARG 599 0.074 -4.586 -10.233 39 HB3 ARG 599 2HB ARG 599 -0.596 -5.360 -8.795 40 HG2 ARG 599 1HG ARG 599 -2.672 -4.012 -9.045 41 HG3 ARG 599 2HG ARG 599 -1.983 -3.234 -10.480 42 HD2 ARG 599 1HD ARG 599 -1.726 -5.538 -11.492 43 HD3 ARG 599 2HD ARG 599 -2.685 -6.157 -10.132 44 HE ARG 599 HE ARG 599 -4.027 -3.962 -11.453 45 HH11 ARG 599 1HH1 ARG 599 -3.375 -7.412 -11.834 46 HH12 ARG 599 2HH1 ARG 599 -4.791 -7.659 -12.821 47 HH21 ARG 599 1HH2 ARG 599 -5.787 -4.342 -12.719 48 HH22 ARG 599 2HH2 ARG 599 -6.134 -5.954 -13.309 49 H GLU 600 H GLU 600 1.528 -2.474 -10.365 50 HA GLU 600 HA GLU 600 0.801 0.307 -10.347 51 HB2 GLU 600 1HB GLU 600 2.107 -1.440 -12.477 52 HB3 GLU 600 2HB GLU 600 1.991 0.320 -12.550 53 HG2 GLU 600 1HG GLU 600 3.286 0.443 -10.424 54 HG3 GLU 600 2HG GLU 600 3.521 -1.310 -10.514 55 HA PRO 601 HA PRO 601 -2.890 0.044 -12.658 56 HB2 PRO 601 1HB PRO 601 -2.862 2.229 -14.327 57 HB3 PRO 601 2HB PRO 601 -3.152 2.311 -12.564 58 HG2 PRO 601 1HG PRO 601 -0.610 2.780 -14.072 59 HG3 PRO 601 2HG PRO 601 -1.355 3.775 -12.794 60 HD2 PRO 601 1HD PRO 601 0.658 2.056 -12.299 61 HD3 PRO 601 2HD PRO 601 -0.671 2.314 -11.119 62 H SER 602 H SER 602 -3.873 -0.372 -14.664 63 HA SER 602 HA SER 602 -2.140 -1.847 -16.492 64 HB2 SER 602 1HB SER 602 -5.156 -1.436 -16.511 65 HB3 SER 602 2HB SER 602 -4.251 -2.583 -17.511 66 HG SER 602 HG SER 602 -4.552 -2.579 -14.683 67 H ALA 603 H ALA 603 -2.189 -1.464 -18.821 68 HA ALA 603 HA ALA 603 -1.670 1.180 -19.542 69 HB1 ALA 603 1HB ALA 603 -2.762 -0.996 -21.388 70 HB2 ALA 603 2HB ALA 603 -1.769 0.404 -21.855 71 HB3 ALA 603 3HB ALA 603 -1.065 -0.889 -20.864 72 HA PRO 604 HA PRO 604 -5.662 3.026 -19.762 73 HB2 PRO 604 1HB PRO 604 -5.280 5.005 -21.628 74 HB3 PRO 604 2HB PRO 604 -4.599 5.081 -19.969 75 HG2 PRO 604 1HG PRO 604 -3.305 4.160 -22.494 76 HG3 PRO 604 2HG PRO 604 -2.714 5.334 -21.284 77 HD2 PRO 604 1HD PRO 604 -1.869 2.812 -21.288 78 HD3 PRO 604 2HD PRO 604 -2.207 3.671 -19.743 79 H LYS 605 H LYS 605 -7.490 3.366 -21.181 80 HA LYS 605 HA LYS 605 -7.571 1.164 -23.169 81 HB2 LYS 605 1HB LYS 605 -9.502 2.657 -21.436 82 HB3 LYS 605 2HB LYS 605 -10.121 2.055 -22.972 83 HG2 LYS 605 1HG LYS 605 -10.538 0.462 -21.105 84 HG3 LYS 605 2HG LYS 605 -9.573 -0.235 -22.405 85 HD2 LYS 605 1HD LYS 605 -8.645 -1.021 -20.335 86 HD3 LYS 605 2HD LYS 605 -7.491 0.124 -21.012 87 HE2 LYS 605 1HE LYS 605 -8.349 1.878 -19.445 88 HE3 LYS 605 2HE LYS 605 -9.462 0.680 -18.749 89 HZ1 LYS 605 1HZ LYS 605 -6.488 0.447 -18.768 90 HZ2 LYS 605 2HZ LYS 605 -7.530 -0.643 -18.102 91 HZ3 LYS 605 3HZ LYS 605 -7.392 0.859 -17.447 92 H LEU 606 H LEU 606 -8.249 1.488 -25.349 93 HA LEU 606 HA LEU 606 -8.352 4.335 -26.187 94 HB2 LEU 606 1HB LEU 606 -6.043 3.447 -26.420 95 HB3 LEU 606 2HB LEU 606 -6.644 2.175 -27.466 96 HG LEU 606 HG LEU 606 -5.448 4.217 -28.484 97 HD11 LEU 606 1HD1 LEU 606 -6.790 4.145 -30.538 98 HD12 LEU 606 2HD1 LEU 606 -8.106 3.338 -29.665 99 HD13 LEU 606 3HD1 LEU 606 -6.544 2.524 -29.860 100 HD21 LEU 606 1HD2 LEU 606 -8.202 5.454 -28.135 101 HD22 LEU 606 2HD2 LEU 606 -6.863 6.121 -29.076 102 HD23 LEU 606 3HD2 LEU 606 -6.709 5.955 -27.316 103 H GLU 607 H GLU 607 -10.202 4.640 -27.168 104 HA GLU 607 HA GLU 607 -11.364 2.382 -28.725 105 HB2 GLU 607 1HB GLU 607 -12.855 4.856 -27.867 106 HB3 GLU 607 2HB GLU 607 -13.499 3.282 -28.344 107 HG2 GLU 607 1HG GLU 607 -12.089 4.040 -25.772 108 HG3 GLU 607 2HG GLU 607 -13.762 3.513 -25.962 109 H GLY 608 H GLY 608 -9.694 5.288 -29.159 110 HA2 GLY 608 1HA GLY 608 -9.157 6.467 -31.057 111 HA3 GLY 608 2HA GLY 608 -9.720 5.052 -31.948 112 H GLN 609 H GLN 609 -11.705 7.279 -29.970 113 HA GLN 609 HA GLN 609 -13.599 7.369 -32.195 114 HB2 GLN 609 1HB GLN 609 -13.604 8.644 -29.444 115 HB3 GLN 609 2HB GLN 609 -14.956 8.716 -30.584 116 HG2 GLN 609 1HG GLN 609 -13.772 6.156 -29.443 117 HG3 GLN 609 2HG GLN 609 -15.243 6.945 -28.856 118 HE21 GLN 609 1HE2 GLN 609 -15.442 4.355 -31.861 119 HE22 GLN 609 2HE2 GLN 609 -14.054 4.550 -30.810 120 H MET 610 H MET 610 -13.380 8.698 -33.828 121 HA MET 610 HA MET 610 -11.641 10.912 -33.955 122 HB2 MET 610 1HB MET 610 -12.671 11.412 -36.055 123 HB3 MET 610 2HB MET 610 -12.579 9.656 -35.897 124 HG2 MET 610 1HG MET 610 -15.094 11.266 -35.320 125 HG3 MET 610 2HG MET 610 -14.722 10.559 -36.895 126 HE1 MET 610 1HE MET 610 -17.212 10.135 -34.549 127 HE2 MET 610 2HE MET 610 -17.384 9.623 -36.247 128 HE3 MET 610 3HE MET 610 -17.639 8.450 -34.933 129 H GLY 611 H GLY 611 -12.027 13.190 -34.136 130 HA2 GLY 611 1HA GLY 611 -14.171 14.058 -32.277 131 HA3 GLY 611 2HA GLY 611 -12.756 14.997 -32.775 132 H GLU 612 H GLU 612 -15.971 15.040 -32.938 133 HA GLU 612 HA GLU 612 -16.544 15.400 -35.736 134 HB2 GLU 612 1HB GLU 612 -17.942 16.455 -33.239 135 HB3 GLU 612 2HB GLU 612 -18.603 16.501 -34.871 136 HG2 GLU 612 1HG GLU 612 -19.660 14.648 -33.932 137 HG3 GLU 612 2HG GLU 612 -18.355 13.933 -34.886 138 H ASP 613 H ASP 613 -15.182 17.425 -33.254 139 HA ASP 613 HA ASP 613 -15.696 20.017 -34.274 140 HB2 ASP 613 1HB ASP 613 -13.097 19.044 -33.013 141 HB3 ASP 613 2HB ASP 613 -13.707 20.700 -33.015 142 H GLY 614 H GLY 614 -13.560 17.479 -35.372 143 HA2 GLY 614 1HA GLY 614 -12.037 17.442 -37.153 144 HA3 GLY 614 2HA GLY 614 -12.411 19.157 -37.495 145 H ASN 615 H ASN 615 -9.692 18.083 -37.285 146 HA ASN 615 HA ASN 615 -7.678 18.549 -36.247 147 HB2 ASN 615 1HB ASN 615 -8.950 20.873 -36.634 148 HB3 ASN 615 2HB ASN 615 -8.933 20.928 -34.868 149 HD21 ASN 615 1HD2 ASN 615 -5.340 21.180 -34.747 150 HD22 ASN 615 2HD2 ASN 615 -6.679 20.355 -33.952 151 H SER 616 H SER 616 -9.750 16.894 -34.756 152 HA SER 616 HA SER 616 -8.563 17.020 -32.052 153 HB2 SER 616 1HB SER 616 -11.567 17.073 -32.449 154 HB3 SER 616 2HB SER 616 -10.669 17.259 -30.935 155 HG SER 616 HG SER 616 -10.819 19.075 -33.131 156 H ILE 617 H ILE 617 -9.139 15.158 -30.692 157 HA ILE 617 HA ILE 617 -10.807 13.036 -31.827 158 HB ILE 617 HB ILE 617 -8.585 12.711 -32.946 159 HG12 ILE 617 1HG1 ILE 617 -9.043 10.350 -31.155 160 HG13 ILE 617 2HG1 ILE 617 -10.346 10.918 -32.193 161 HG21 ILE 617 1HG2 ILE 617 -6.661 11.849 -31.703 162 HG22 ILE 617 2HG2 ILE 617 -7.124 13.421 -31.028 163 HG23 ILE 617 3HG2 ILE 617 -7.561 11.925 -30.173 164 HD11 ILE 617 1HD1 ILE 617 -7.620 10.152 -33.199 165 HD12 ILE 617 2HD1 ILE 617 -9.053 9.096 -33.196 166 HD13 ILE 617 3HD1 ILE 617 -9.048 10.584 -34.166 167 H LYS 618 H LYS 618 -11.361 11.391 -30.256 168 HA LYS 618 HA LYS 618 -10.606 12.179 -27.459 169 HB2 LYS 618 1HB LYS 618 -12.900 10.372 -28.245 170 HB3 LYS 618 2HB LYS 618 -12.615 11.155 -26.702 171 HG2 LYS 618 1HG LYS 618 -14.209 12.579 -27.405 172 HG3 LYS 618 2HG LYS 618 -12.889 13.349 -28.300 173 HD2 LYS 618 1HD LYS 618 -13.624 12.541 -30.336 174 HD3 LYS 618 2HD LYS 618 -14.243 11.045 -29.637 175 HE2 LYS 618 1HE LYS 618 -16.115 12.441 -28.603 176 HE3 LYS 618 2HE LYS 618 -15.570 13.760 -29.667 177 HZ1 LYS 618 1HZ LYS 618 -17.160 12.648 -30.928 178 HZ2 LYS 618 2HZ LYS 618 -16.693 11.143 -30.429 179 HZ3 LYS 618 3HZ LYS 618 -15.762 11.989 -31.495 180 H VAL 619 H VAL 619 -9.372 10.829 -26.330 181 HA VAL 619 HA VAL 619 -9.253 7.961 -27.200 182 HB VAL 619 HB VAL 619 -7.030 8.203 -27.505 183 HG11 VAL 619 1HG1 VAL 619 -7.195 10.967 -26.237 184 HG12 VAL 619 2HG1 VAL 619 -5.777 10.299 -27.069 185 HG13 VAL 619 3HG1 VAL 619 -7.277 10.574 -27.973 186 HG21 VAL 619 1HG2 VAL 619 -6.881 8.928 -24.552 187 HG22 VAL 619 2HG2 VAL 619 -6.922 7.282 -25.228 188 HG23 VAL 619 3HG2 VAL 619 -5.541 8.347 -25.564 189 H ASN 620 H ASN 620 -9.449 6.493 -25.401 190 HA ASN 620 HA ASN 620 -11.012 7.748 -23.275 191 HB2 ASN 620 1HB ASN 620 -10.666 5.021 -24.348 192 HB3 ASN 620 2HB ASN 620 -10.885 5.109 -22.597 193 HD21 ASN 620 1HD2 ASN 620 -13.888 6.509 -25.014 194 HD22 ASN 620 2HD2 ASN 620 -12.233 6.579 -25.558 195 H LEU 621 H LEU 621 -10.766 7.408 -21.080 196 HA LEU 621 HA LEU 621 -7.981 6.864 -20.252 197 HB2 LEU 621 1HB LEU 621 -9.196 9.349 -20.305 198 HB3 LEU 621 2HB LEU 621 -9.385 8.835 -18.628 199 HG LEU 621 HG LEU 621 -7.016 8.644 -18.359 200 HD11 LEU 621 1HD1 LEU 621 -6.806 9.059 -21.348 201 HD12 LEU 621 2HD1 LEU 621 -6.103 7.771 -20.356 202 HD13 LEU 621 3HD1 LEU 621 -5.456 9.415 -20.246 203 HD21 LEU 621 1HD2 LEU 621 -8.029 10.867 -18.173 204 HD22 LEU 621 2HD2 LEU 621 -7.835 11.146 -19.917 205 HD23 LEU 621 3HD2 LEU 621 -6.408 11.036 -18.865 206 H ILE 622 H ILE 622 -7.738 6.098 -18.135 207 HA ILE 622 HA ILE 622 -9.525 4.011 -17.483 208 HB ILE 622 HB ILE 622 -7.351 5.469 -15.950 209 HG12 ILE 622 1HG1 ILE 622 -6.921 2.696 -16.603 210 HG13 ILE 622 2HG1 ILE 622 -7.316 3.602 -18.056 211 HG21 ILE 622 1HG2 ILE 622 -8.730 4.533 -14.246 212 HG22 ILE 622 2HG2 ILE 622 -8.881 3.001 -15.138 213 HG23 ILE 622 3HG2 ILE 622 -7.330 3.468 -14.449 214 HD11 ILE 622 1HD1 ILE 622 -5.148 4.320 -16.080 215 HD12 ILE 622 2HD1 ILE 622 -4.897 3.447 -17.605 216 HD13 ILE 622 3HD1 ILE 622 -5.490 5.128 -17.633 217 H LYS 623 H LYS 623 -11.405 3.936 -16.363 218 HA LYS 623 HA LYS 623 -12.126 6.323 -14.761 219 HB2 LYS 623 1HB LYS 623 -14.460 6.054 -15.451 220 HB3 LYS 623 2HB LYS 623 -13.370 6.417 -16.782 221 HG2 LYS 623 1HG LYS 623 -13.790 3.525 -16.425 222 HG3 LYS 623 2HG LYS 623 -15.285 4.426 -16.749 223 HD2 LYS 623 1HD LYS 623 -12.877 4.940 -18.458 224 HD3 LYS 623 2HD LYS 623 -13.889 3.512 -18.758 225 HE2 LYS 623 1HE LYS 623 -15.678 4.742 -19.441 226 HE3 LYS 623 2HE LYS 623 -15.355 6.030 -18.277 227 HZ1 LYS 623 1HZ LYS 623 -14.967 6.967 -20.376 228 HZ2 LYS 623 2HZ LYS 623 -14.108 5.666 -20.941 229 HZ3 LYS 623 3HZ LYS 623 -13.453 6.669 -19.803 230 H GLN 624 H GLN 624 -11.071 3.500 -14.106 231 HA GLN 624 HA GLN 624 -12.745 3.183 -11.703 232 HB2 GLN 624 1HB GLN 624 -13.081 0.806 -12.019 233 HB3 GLN 624 2HB GLN 624 -13.799 1.654 -13.386 234 HG2 GLN 624 1HG GLN 624 -11.041 0.362 -13.487 235 HG3 GLN 624 2HG GLN 624 -12.527 -0.481 -13.925 236 HE21 GLN 624 1HE2 GLN 624 -10.684 1.794 -16.616 237 HE22 GLN 624 2HE2 GLN 624 -9.991 1.378 -15.059 238 H ASP 625 H ASP 625 -11.470 1.520 -10.214 239 HA ASP 625 HA ASP 625 -8.665 2.260 -10.342 240 HB2 ASP 625 1HB ASP 625 -9.984 1.713 -8.219 241 HB3 ASP 625 2HB ASP 625 -9.857 0.009 -8.687 242 H ASP 626 H ASP 626 -7.126 1.293 -11.488 243 HA ASP 626 HA ASP 626 -7.817 -1.053 -13.130 244 HB2 ASP 626 1HB ASP 626 -5.694 1.048 -13.049 245 HB3 ASP 626 2HB ASP 626 -5.256 -0.515 -13.732 246 H GLY 627 H GLY 627 -6.513 -0.587 -10.046 247 HA2 GLY 627 1HA GLY 627 -5.562 -3.333 -10.046 248 HA3 GLY 627 2HA GLY 627 -4.243 -2.162 -9.985 249 H GLY 628 H GLY 628 -3.665 -1.299 -8.126 250 HA2 GLY 628 1HA GLY 628 -5.150 -2.370 -5.762 251 HA3 GLY 628 2HA GLY 628 -3.439 -2.006 -5.811 252 H SER 629 H SER 629 -4.437 0.638 -7.256 253 HA SER 629 HA SER 629 -5.751 2.056 -5.096 254 HB2 SER 629 1HB SER 629 -3.294 1.979 -4.335 255 HB3 SER 629 2HB SER 629 -2.894 2.895 -5.799 256 HG SER 629 HG SER 629 -4.606 3.654 -3.665 257 HA PRO 630 HA PRO 630 -6.777 3.685 -9.002 258 HB2 PRO 630 1HB PRO 630 -8.032 6.056 -8.437 259 HB3 PRO 630 2HB PRO 630 -8.768 4.452 -8.116 260 HG2 PRO 630 1HG PRO 630 -7.287 6.253 -6.237 261 HG3 PRO 630 2HG PRO 630 -8.880 5.462 -6.026 262 HD2 PRO 630 1HD PRO 630 -6.636 4.390 -4.975 263 HD3 PRO 630 2HD PRO 630 -7.917 3.347 -5.685 264 H ILE 631 H ILE 631 -6.431 5.376 -10.491 265 HA ILE 631 HA ILE 631 -3.753 6.200 -10.674 266 HB ILE 631 HB ILE 631 -6.335 6.863 -12.144 267 HG12 ILE 631 1HG1 ILE 631 -5.074 5.876 -14.073 268 HG13 ILE 631 2HG1 ILE 631 -3.683 5.623 -13.012 269 HG21 ILE 631 1HG2 ILE 631 -5.150 8.996 -12.239 270 HG22 ILE 631 2HG2 ILE 631 -3.645 8.180 -12.706 271 HG23 ILE 631 3HG2 ILE 631 -5.010 8.199 -13.793 272 HD11 ILE 631 1HD1 ILE 631 -4.829 3.917 -11.784 273 HD12 ILE 631 2HD1 ILE 631 -6.390 4.338 -12.534 274 HD13 ILE 631 3HD1 ILE 631 -5.102 3.598 -13.510 275 H ARG 632 H ARG 632 -2.739 8.217 -10.524 276 HA ARG 632 HA ARG 632 -4.163 10.211 -8.790 277 HB2 ARG 632 1HB ARG 632 -1.395 9.147 -8.884 278 HB3 ARG 632 2HB ARG 632 -1.495 10.898 -8.742 279 HG2 ARG 632 1HG ARG 632 -1.286 9.676 -6.527 280 HG3 ARG 632 2HG ARG 632 -2.695 10.755 -6.659 281 HD2 ARG 632 1HD ARG 632 -4.088 8.715 -7.229 282 HD3 ARG 632 2HD ARG 632 -2.668 7.722 -6.838 283 HE ARG 632 HE ARG 632 -3.117 9.475 -4.672 284 HH11 ARG 632 1HH1 ARG 632 -4.752 6.745 -6.205 285 HH12 ARG 632 2HH1 ARG 632 -5.542 6.280 -4.719 286 HH21 ARG 632 1HH2 ARG 632 -4.170 8.823 -2.828 287 HH22 ARG 632 2HH2 ARG 632 -5.247 7.453 -2.855 288 H HIS 633 H HIS 633 -1.944 9.815 -11.622 289 HA HIS 633 HA HIS 633 -3.211 12.259 -12.780 290 HB2 HIS 633 1HB HIS 633 -0.224 11.694 -12.720 291 HB3 HIS 633 2HB HIS 633 -1.009 13.080 -13.487 292 HD1 HIS 633 HD1 HIS 633 -2.370 14.699 -11.677 293 HD2 HIS 633 HD2 HIS 633 0.530 12.127 -10.163 294 HE1 HIS 633 HE1 HIS 633 -1.789 15.539 -9.368 295 H TYR 634 H TYR 634 -2.897 12.525 -15.104 296 HA TYR 634 HA TYR 634 -2.120 10.008 -16.548 297 HB2 TYR 634 1HB TYR 634 -4.243 12.052 -17.293 298 HB3 TYR 634 2HB TYR 634 -3.692 10.731 -18.328 299 HD1 TYR 634 HD1 TYR 634 -6.138 11.721 -15.988 300 HD2 TYR 634 HD2 TYR 634 -3.857 8.309 -17.266 301 HE1 TYR 634 HE1 TYR 634 -7.839 10.200 -14.979 302 HE2 TYR 634 HE2 TYR 634 -5.545 6.808 -16.210 303 HH TYR 634 HH TYR 634 -8.512 8.043 -14.697 304 H LEU 635 H LEU 635 -0.858 10.272 -18.351 305 HA LEU 635 HA LEU 635 -0.041 13.076 -19.007 306 HB2 LEU 635 1HB LEU 635 1.796 10.668 -18.887 307 HB3 LEU 635 2HB LEU 635 2.246 12.307 -19.290 308 HG LEU 635 HG LEU 635 1.323 12.738 -16.787 309 HD11 LEU 635 1HD1 LEU 635 2.071 10.920 -15.285 310 HD12 LEU 635 2HD1 LEU 635 2.435 9.892 -16.692 311 HD13 LEU 635 3HD1 LEU 635 0.759 10.361 -16.337 312 HD21 LEU 635 1HD2 LEU 635 3.543 13.341 -17.657 313 HD22 LEU 635 2HD2 LEU 635 4.077 11.651 -17.512 314 HD23 LEU 635 3HD2 LEU 635 3.678 12.600 -16.058 315 H VAL 636 H VAL 636 -0.315 13.488 -21.149 316 HA VAL 636 HA VAL 636 -0.379 11.143 -23.032 317 HB VAL 636 HB VAL 636 -1.829 13.773 -23.514 318 HG11 VAL 636 1HG1 VAL 636 -3.186 12.327 -25.063 319 HG12 VAL 636 2HG1 VAL 636 -1.475 12.463 -25.516 320 HG13 VAL 636 3HG1 VAL 636 -2.071 10.990 -24.715 321 HG21 VAL 636 1HG2 VAL 636 -3.939 12.558 -22.834 322 HG22 VAL 636 2HG2 VAL 636 -2.917 11.285 -22.142 323 HG23 VAL 636 3HG2 VAL 636 -2.852 12.937 -21.488 324 H ARG 637 H ARG 637 0.837 11.336 -24.931 325 HA ARG 637 HA ARG 637 2.259 13.941 -25.377 326 HB2 ARG 637 1HB ARG 637 3.625 12.175 -24.051 327 HB3 ARG 637 2HB ARG 637 3.592 11.214 -25.532 328 HG2 ARG 637 1HG ARG 637 4.519 13.423 -26.612 329 HG3 ARG 637 2HG ARG 637 4.990 13.792 -24.949 330 HD2 ARG 637 1HD ARG 637 6.174 11.607 -24.841 331 HD3 ARG 637 2HD ARG 637 5.742 11.327 -26.542 332 HE ARG 637 HE ARG 637 7.150 13.843 -25.967 333 HH11 ARG 637 1HH1 ARG 637 7.481 10.506 -27.081 334 HH12 ARG 637 2HH1 ARG 637 9.039 10.804 -27.804 335 HH21 ARG 637 1HH2 ARG 637 9.140 14.142 -26.908 336 HH22 ARG 637 2HH2 ARG 637 9.952 12.828 -27.716 337 H TYR 638 H TYR 638 2.201 14.440 -27.605 338 HA TYR 638 HA TYR 638 1.812 12.206 -29.488 339 HB2 TYR 638 1HB TYR 638 -0.168 13.144 -30.517 340 HB3 TYR 638 2HB TYR 638 -0.472 12.782 -28.822 341 HD1 TYR 638 HD1 TYR 638 -0.791 15.223 -31.402 342 HD2 TYR 638 HD2 TYR 638 -0.272 14.842 -27.142 343 HE1 TYR 638 HE1 TYR 638 -1.709 17.521 -31.070 344 HE2 TYR 638 HE2 TYR 638 -1.164 17.144 -26.846 345 HH TYR 638 HH TYR 638 -2.469 19.057 -29.528 346 H ARG 639 H ARG 639 1.955 12.839 -31.744 347 HA ARG 639 HA ARG 639 3.344 15.422 -32.311 348 HB2 ARG 639 1HB ARG 639 5.240 14.152 -31.772 349 HB3 ARG 639 2HB ARG 639 4.559 12.652 -32.329 350 HG2 ARG 639 1HG ARG 639 5.406 14.824 -34.273 351 HG3 ARG 639 2HG ARG 639 6.545 13.644 -33.613 352 HD2 ARG 639 1HD ARG 639 4.472 12.035 -34.400 353 HD3 ARG 639 2HD ARG 639 4.437 13.272 -35.647 354 HE ARG 639 HE ARG 639 6.424 11.198 -35.209 355 HH11 ARG 639 1HH1 ARG 639 5.832 14.327 -36.802 356 HH12 ARG 639 2HH1 ARG 639 7.114 14.070 -37.962 357 HH21 ARG 639 1HH2 ARG 639 8.009 10.958 -36.738 358 HH22 ARG 639 2HH2 ARG 639 8.321 12.198 -37.925 359 H ALA 640 H ALA 640 3.291 15.823 -34.623 360 HA ALA 640 HA ALA 640 1.644 13.891 -36.192 361 HB1 ALA 640 1HB ALA 640 0.324 15.898 -35.263 362 HB2 ALA 640 2HB ALA 640 1.297 16.880 -36.387 363 HB3 ALA 640 3HB ALA 640 0.256 15.587 -37.009 364 H LEU 641 H LEU 641 1.815 14.695 -38.664 365 HA LEU 641 HA LEU 641 4.630 14.627 -39.245 366 HB2 LEU 641 1HB LEU 641 2.247 15.306 -40.991 367 HB3 LEU 641 2HB LEU 641 3.898 15.181 -41.592 368 HG LEU 641 HG LEU 641 2.302 12.920 -40.347 369 HD11 LEU 641 1HD1 LEU 641 1.527 13.578 -42.598 370 HD12 LEU 641 2HD1 LEU 641 2.287 11.977 -42.606 371 HD13 LEU 641 3HD1 LEU 641 3.179 13.390 -43.219 372 HD21 LEU 641 1HD2 LEU 641 4.653 12.560 -39.864 373 HD22 LEU 641 2HD2 LEU 641 5.100 12.944 -41.546 374 HD23 LEU 641 3HD2 LEU 641 4.169 11.472 -41.174 375 H SER 642 H SER 642 2.267 17.291 -39.076 376 HA SER 642 HA SER 642 4.472 19.210 -39.681 377 HB2 SER 642 1HB SER 642 2.321 19.267 -41.000 378 HB3 SER 642 2HB SER 642 1.491 19.742 -39.506 379 HG SER 642 HG SER 642 3.047 21.513 -39.421 380 H SER 643 H SER 643 3.417 17.775 -36.959 381 HA SER 643 HA SER 643 3.827 20.275 -35.374 382 HB2 SER 643 1HB SER 643 1.787 18.109 -34.761 383 HB3 SER 643 2HB SER 643 2.202 19.464 -33.706 384 HG SER 643 HG SER 643 0.949 19.559 -36.262 385 H GLU 644 H GLU 644 5.134 20.125 -33.634 386 HA GLU 644 HA GLU 644 6.908 17.856 -33.567 387 HB2 GLU 644 1HB GLU 644 8.138 19.087 -31.981 388 HB3 GLU 644 2HB GLU 644 7.492 20.283 -33.100 389 HG2 GLU 644 1HG GLU 644 6.084 19.696 -30.463 390 HG3 GLU 644 2HG GLU 644 7.486 20.759 -30.527 391 H TRP 645 H TRP 645 7.542 16.799 -31.462 392 HA TRP 645 HA TRP 645 5.328 15.463 -30.217 393 HB2 TRP 645 1HB TRP 645 8.284 15.709 -29.619 394 HB3 TRP 645 2HB TRP 645 7.190 14.976 -28.444 395 HD1 TRP 645 HD1 TRP 645 9.135 14.108 -31.514 396 HE1 TRP 645 HE1 TRP 645 8.699 11.714 -32.249 397 HE3 TRP 645 HE3 TRP 645 5.030 13.220 -28.605 398 HZ2 TRP 645 HZ2 TRP 645 6.819 9.659 -31.652 399 HZ3 TRP 645 HZ3 TRP 645 3.928 10.971 -28.738 400 HH2 TRP 645 HH2 TRP 645 4.837 9.220 -30.262 401 H LYS 646 H LYS 646 3.868 16.613 -29.123 402 HA LYS 646 HA LYS 646 4.511 18.982 -27.603 403 HB2 LYS 646 1HB LYS 646 2.159 17.107 -27.154 404 HB3 LYS 646 2HB LYS 646 2.249 18.824 -26.752 405 HG2 LYS 646 1HG LYS 646 2.127 17.598 -29.541 406 HG3 LYS 646 2HG LYS 646 0.847 18.469 -28.710 407 HD2 LYS 646 1HD LYS 646 2.167 20.549 -28.800 408 HD3 LYS 646 2HD LYS 646 3.463 19.679 -29.660 409 HE2 LYS 646 1HE LYS 646 1.886 19.086 -31.463 410 HE3 LYS 646 2HE LYS 646 0.580 19.940 -30.621 411 HZ1 LYS 646 1HZ LYS 646 3.047 21.184 -31.708 412 HZ2 LYS 646 2HZ LYS 646 1.861 21.992 -30.894 413 HZ3 LYS 646 3HZ LYS 646 1.533 21.301 -32.356 414 HA PRO 647 HA PRO 647 6.497 16.880 -24.415 415 HB2 PRO 647 1HB PRO 647 6.213 18.469 -22.194 416 HB3 PRO 647 2HB PRO 647 7.224 18.911 -23.608 417 HG2 PRO 647 1HG PRO 647 4.408 19.770 -22.964 418 HG3 PRO 647 2HG PRO 647 5.805 20.765 -23.476 419 HD2 PRO 647 1HD PRO 647 3.889 19.931 -25.226 420 HD3 PRO 647 2HD PRO 647 5.621 20.090 -25.704 421 H GLU 648 H GLU 648 3.451 18.110 -22.888 422 HA GLU 648 HA GLU 648 2.647 15.395 -22.161 423 HB2 GLU 648 1HB GLU 648 4.299 16.038 -20.354 424 HB3 GLU 648 2HB GLU 648 3.324 17.475 -20.038 425 HG2 GLU 648 1HG GLU 648 1.380 15.805 -19.602 426 HG3 GLU 648 2HG GLU 648 2.650 14.588 -19.477 427 H ILE 649 H ILE 649 0.405 15.396 -21.976 428 HA ILE 649 HA ILE 649 -0.906 18.039 -21.496 429 HB ILE 649 HB ILE 649 -2.189 15.536 -22.666 430 HG12 ILE 649 1HG1 ILE 649 -0.560 16.385 -24.280 431 HG13 ILE 649 2HG1 ILE 649 -2.208 16.636 -24.838 432 HG21 ILE 649 1HG2 ILE 649 -3.209 18.395 -22.390 433 HG22 ILE 649 2HG2 ILE 649 -4.071 17.072 -23.211 434 HG23 ILE 649 3HG2 ILE 649 -3.751 16.981 -21.468 435 HD11 ILE 649 1HD1 ILE 649 -0.715 18.579 -25.326 436 HD12 ILE 649 2HD1 ILE 649 -2.090 19.033 -24.302 437 HD13 ILE 649 3HD1 ILE 649 -0.473 18.824 -23.589 438 H ARG 650 H ARG 650 -1.286 18.166 -19.437 439 HA ARG 650 HA ARG 650 -1.238 16.002 -17.553 440 HB2 ARG 650 1HB ARG 650 -1.832 17.663 -15.931 441 HB3 ARG 650 2HB ARG 650 -0.875 18.560 -17.118 442 HG2 ARG 650 1HG ARG 650 -3.115 19.308 -18.200 443 HG3 ARG 650 2HG ARG 650 -4.007 18.547 -16.876 444 HD2 ARG 650 1HD ARG 650 -2.720 20.003 -15.257 445 HD3 ARG 650 2HD ARG 650 -1.936 20.809 -16.633 446 HE ARG 650 HE ARG 650 -4.738 20.897 -17.032 447 HH11 ARG 650 1HH1 ARG 650 -2.341 22.313 -14.867 448 HH12 ARG 650 2HH1 ARG 650 -3.314 23.727 -14.558 449 HH21 ARG 650 1HH2 ARG 650 -5.919 22.735 -16.610 450 HH22 ARG 650 2HH2 ARG 650 -5.306 23.958 -15.531 451 H LEU 651 H LEU 651 -2.995 14.759 -16.697 452 HA LEU 651 HA LEU 651 -5.462 16.234 -16.671 453 HB2 LEU 651 1HB LEU 651 -5.249 13.942 -18.486 454 HB3 LEU 651 2HB LEU 651 -6.618 13.872 -17.399 455 HG LEU 651 HG LEU 651 -7.719 14.996 -18.972 456 HD11 LEU 651 1HD1 LEU 651 -7.459 17.563 -19.157 457 HD12 LEU 651 2HD1 LEU 651 -6.101 17.500 -17.977 458 HD13 LEU 651 3HD1 LEU 651 -7.761 16.965 -17.529 459 HD21 LEU 651 1HD2 LEU 651 -6.873 15.729 -20.973 460 HD22 LEU 651 2HD2 LEU 651 -5.573 14.632 -20.457 461 HD23 LEU 651 3HD2 LEU 651 -5.394 16.388 -20.261 462 HA PRO 652 HA PRO 652 -5.581 14.416 -12.763 463 HB2 PRO 652 1HB PRO 652 -8.101 14.883 -11.905 464 HB3 PRO 652 2HB PRO 652 -7.019 16.259 -12.298 465 HG2 PRO 652 1HG PRO 652 -9.103 14.913 -14.022 466 HG3 PRO 652 2HG PRO 652 -8.942 16.660 -13.631 467 HD2 PRO 652 1HD PRO 652 -7.943 15.595 -15.911 468 HD3 PRO 652 2HD PRO 652 -7.090 16.919 -15.044 469 H SER 653 H SER 653 -6.561 12.689 -11.419 470 HA SER 653 HA SER 653 -7.033 10.299 -12.816 471 HB2 SER 653 1HB SER 653 -7.819 9.487 -10.580 472 HB3 SER 653 2HB SER 653 -6.268 10.355 -10.543 473 HG SER 653 HG SER 653 -7.722 11.025 -8.888 474 H GLY 654 H GLY 654 -9.336 12.791 -11.967 475 HA2 GLY 654 1HA GLY 654 -11.624 11.010 -12.164 476 HA3 GLY 654 2HA GLY 654 -11.661 12.747 -11.891 477 H SER 655 H SER 655 -9.782 12.353 -14.678 478 HA SER 655 HA SER 655 -12.166 13.043 -16.305 479 HB2 SER 655 1HB SER 655 -10.452 13.366 -18.132 480 HB3 SER 655 2HB SER 655 -10.213 14.400 -16.710 481 HG SER 655 HG SER 655 -8.939 11.892 -16.895 482 H ASP 656 H ASP 656 -13.263 11.492 -17.450 483 HA ASP 656 HA ASP 656 -12.231 8.757 -17.398 484 HB2 ASP 656 1HB ASP 656 -14.372 8.086 -17.868 485 HB3 ASP 656 2HB ASP 656 -14.683 9.598 -17.011 486 H HIS 657 H HIS 657 -12.074 11.347 -19.618 487 HA HIS 657 HA HIS 657 -10.850 9.594 -21.597 488 HB2 HIS 657 1HB HIS 657 -12.206 10.135 -23.452 489 HB3 HIS 657 2HB HIS 657 -13.344 9.627 -22.199 490 HD1 HIS 657 HD1 HIS 657 -14.692 11.673 -20.999 491 HD2 HIS 657 HD2 HIS 657 -12.550 12.637 -24.429 492 HE1 HIS 657 HE1 HIS 657 -15.545 13.915 -21.781 493 H VAL 658 H VAL 658 -9.885 11.036 -23.341 494 HA VAL 658 HA VAL 658 -9.554 13.840 -22.395 495 HB VAL 658 HB VAL 658 -7.521 12.944 -21.568 496 HG11 VAL 658 1HG1 VAL 658 -7.696 10.672 -22.461 497 HG12 VAL 658 2HG1 VAL 658 -7.282 11.253 -24.083 498 HG13 VAL 658 3HG1 VAL 658 -6.085 11.334 -22.773 499 HG21 VAL 658 1HG2 VAL 658 -5.775 13.847 -22.948 500 HG22 VAL 658 2HG2 VAL 658 -6.760 13.688 -24.419 501 HG23 VAL 658 3HG2 VAL 658 -7.205 14.871 -23.164 502 H MET 659 H MET 659 -9.969 15.206 -24.002 503 HA MET 659 HA MET 659 -9.933 14.094 -26.758 504 HB2 MET 659 1HB MET 659 -12.091 15.041 -25.973 505 HB3 MET 659 2HB MET 659 -11.299 16.615 -25.770 506 HG2 MET 659 1HG MET 659 -10.952 16.860 -28.096 507 HG3 MET 659 2HG MET 659 -11.177 15.128 -28.386 508 HE1 MET 659 1HE MET 659 -12.839 16.827 -30.453 509 HE2 MET 659 2HE MET 659 -12.615 15.080 -30.185 510 HE3 MET 659 3HE MET 659 -14.256 15.781 -30.295 511 H LEU 660 H LEU 660 -8.205 14.542 -27.886 512 HA LEU 660 HA LEU 660 -6.463 16.788 -27.052 513 HB2 LEU 660 1HB LEU 660 -6.175 14.663 -29.204 514 HB3 LEU 660 2HB LEU 660 -4.975 15.902 -28.848 515 HG LEU 660 HG LEU 660 -5.836 13.698 -26.943 516 HD11 LEU 660 1HD1 LEU 660 -4.570 12.890 -28.880 517 HD12 LEU 660 2HD1 LEU 660 -3.583 12.818 -27.408 518 HD13 LEU 660 3HD1 LEU 660 -3.312 14.117 -28.590 519 HD21 LEU 660 1HD2 LEU 660 -3.845 14.457 -25.621 520 HD22 LEU 660 2HD2 LEU 660 -5.126 15.676 -25.684 521 HD23 LEU 660 3HD2 LEU 660 -3.681 15.850 -26.711 522 H LYS 661 H LYS 661 -5.778 18.359 -28.537 523 HA LYS 661 HA LYS 661 -7.387 18.820 -30.985 524 HB2 LYS 661 1HB LYS 661 -7.587 20.342 -28.425 525 HB3 LYS 661 2HB LYS 661 -7.297 21.344 -29.855 526 HG2 LYS 661 1HG LYS 661 -9.257 20.476 -30.954 527 HG3 LYS 661 2HG LYS 661 -9.521 19.295 -29.660 528 HD2 LYS 661 1HD LYS 661 -10.135 21.022 -28.124 529 HD3 LYS 661 2HD LYS 661 -9.567 22.285 -29.248 530 HE2 LYS 661 1HE LYS 661 -11.949 22.189 -29.504 531 HE3 LYS 661 2HE LYS 661 -11.208 21.434 -30.934 532 HZ1 LYS 661 1HZ LYS 661 -12.283 19.889 -28.649 533 HZ2 LYS 661 2HZ LYS 661 -11.767 19.297 -30.101 534 HZ3 LYS 661 3HZ LYS 661 -13.141 20.212 -30.023 535 H SER 662 H SER 662 -6.239 21.013 -31.885 536 HA SER 662 HA SER 662 -4.305 21.824 -32.819 537 HB2 SER 662 1HB SER 662 -3.075 21.293 -30.093 538 HB3 SER 662 2HB SER 662 -2.516 22.450 -31.320 539 HG SER 662 HG SER 662 -3.780 23.476 -29.727 540 H LEU 663 H LEU 663 -4.714 19.452 -33.726 541 HA LEU 663 HA LEU 663 -2.040 18.177 -33.911 542 HB2 LEU 663 1HB LEU 663 -3.231 15.954 -33.968 543 HB3 LEU 663 2HB LEU 663 -3.189 16.735 -32.403 544 HG LEU 663 HG LEU 663 -5.609 17.528 -32.923 545 HD11 LEU 663 1HD1 LEU 663 -6.864 15.781 -34.260 546 HD12 LEU 663 2HD1 LEU 663 -5.297 15.265 -34.915 547 HD13 LEU 663 3HD1 LEU 663 -5.887 16.903 -35.222 548 HD21 LEU 663 1HD2 LEU 663 -4.956 14.613 -32.395 549 HD22 LEU 663 2HD2 LEU 663 -6.445 15.469 -31.930 550 HD23 LEU 663 3HD2 LEU 663 -4.897 15.929 -31.199 551 H ASP 664 H ASP 664 -1.901 16.998 -36.023 552 HA ASP 664 HA ASP 664 -3.134 18.566 -38.118 553 HB2 ASP 664 1HB ASP 664 -1.661 15.898 -38.263 554 HB3 ASP 664 2HB ASP 664 -2.112 16.904 -39.643 555 H TRP 665 H TRP 665 -4.815 17.912 -39.541 556 HA TRP 665 HA TRP 665 -6.270 15.445 -38.662 557 HB2 TRP 665 1HB TRP 665 -8.259 16.637 -39.815 558 HB3 TRP 665 2HB TRP 665 -7.756 17.158 -38.206 559 HD1 TRP 665 HD1 TRP 665 -6.403 19.522 -38.044 560 HE1 TRP 665 HE1 TRP 665 -6.455 21.613 -39.462 561 HE3 TRP 665 HE3 TRP 665 -8.520 17.462 -42.217 562 HZ2 TRP 665 HZ2 TRP 665 -7.270 22.324 -42.110 563 HZ3 TRP 665 HZ3 TRP 665 -8.923 18.939 -44.209 564 HH2 TRP 665 HH2 TRP 665 -8.293 21.351 -44.139 565 H ASN 666 H ASN 666 -5.212 17.374 -41.452 566 HA ASN 666 HA ASN 666 -6.014 15.209 -43.314 567 HB2 ASN 666 1HB ASN 666 -5.382 16.815 -45.052 568 HB3 ASN 666 2HB ASN 666 -6.481 17.573 -43.902 569 HD21 ASN 666 1HD2 ASN 666 -3.059 19.339 -44.708 570 HD22 ASN 666 2HD2 ASN 666 -3.854 18.131 -45.690 571 H ALA 667 H ALA 667 -3.719 15.141 -41.264 572 HA ALA 667 HA ALA 667 -1.772 13.909 -43.089 573 HB1 ALA 667 1HB ALA 667 -1.090 16.393 -42.666 574 HB2 ALA 667 2HB ALA 667 -0.811 15.889 -40.987 575 HB3 ALA 667 3HB ALA 667 0.113 15.146 -42.295 576 H GLU 668 H GLU 668 -0.261 12.585 -41.619 577 HA GLU 668 HA GLU 668 -1.981 11.261 -39.701 578 HB2 GLU 668 1HB GLU 668 0.883 10.613 -40.447 579 HB3 GLU 668 2HB GLU 668 -0.341 9.548 -39.764 580 HG2 GLU 668 1HG GLU 668 -1.688 10.082 -41.939 581 HG3 GLU 668 2HG GLU 668 -0.130 10.626 -42.569 582 H TYR 669 H TYR 669 -1.632 10.868 -37.544 583 HA TYR 669 HA TYR 669 0.740 12.105 -36.306 584 HB2 TYR 669 1HB TYR 669 -0.547 13.297 -34.634 585 HB3 TYR 669 2HB TYR 669 -0.978 13.858 -36.245 586 HD1 TYR 669 HD1 TYR 669 -3.185 13.387 -37.209 587 HD2 TYR 669 HD2 TYR 669 -2.158 12.140 -33.224 588 HE1 TYR 669 HE1 TYR 669 -5.582 13.092 -36.683 589 HE2 TYR 669 HE2 TYR 669 -4.578 11.843 -32.704 590 HH TYR 669 HH TYR 669 -7.116 12.584 -35.102 591 H GLU 670 H GLU 670 1.178 11.359 -34.192 592 HA GLU 670 HA GLU 670 -0.118 8.723 -33.599 593 HB2 GLU 670 1HB GLU 670 2.066 7.938 -32.813 594 HB3 GLU 670 2HB GLU 670 2.148 8.417 -34.512 595 HG2 GLU 670 1HG GLU 670 3.153 10.603 -33.806 596 HG3 GLU 670 2HG GLU 670 3.173 10.019 -32.138 597 H VAL 671 H VAL 671 -0.578 8.284 -31.471 598 HA VAL 671 HA VAL 671 -0.057 10.501 -29.513 599 HB VAL 671 HB VAL 671 -2.599 8.836 -29.819 600 HG11 VAL 671 1HG1 VAL 671 -1.901 11.087 -27.888 601 HG12 VAL 671 2HG1 VAL 671 -3.534 10.414 -28.103 602 HG13 VAL 671 3HG1 VAL 671 -2.234 9.388 -27.477 603 HG21 VAL 671 1HG2 VAL 671 -2.105 11.763 -30.477 604 HG22 VAL 671 2HG2 VAL 671 -2.503 10.460 -31.619 605 HG23 VAL 671 3HG2 VAL 671 -3.704 10.987 -30.430 606 H TYR 672 H TYR 672 0.766 9.831 -27.616 607 HA TYR 672 HA TYR 672 0.536 6.927 -26.875 608 HB2 TYR 672 1HB TYR 672 2.799 8.926 -26.536 609 HB3 TYR 672 2HB TYR 672 2.641 7.508 -25.491 610 HD1 TYR 672 HD1 TYR 672 3.447 5.394 -26.165 611 HD2 TYR 672 HD2 TYR 672 2.943 8.511 -29.079 612 HE1 TYR 672 HE1 TYR 672 4.529 3.953 -27.882 613 HE2 TYR 672 HE2 TYR 672 4.066 7.077 -30.795 614 HH TYR 672 HH TYR 672 5.056 5.102 -31.246 615 H VAL 673 H VAL 673 -0.158 6.558 -24.775 616 HA VAL 673 HA VAL 673 -0.455 8.913 -22.993 617 HB VAL 673 HB VAL 673 -2.590 8.901 -24.117 618 HG11 VAL 673 1HG1 VAL 673 -4.058 6.806 -24.090 619 HG12 VAL 673 2HG1 VAL 673 -2.694 6.818 -25.225 620 HG13 VAL 673 3HG1 VAL 673 -2.576 5.901 -23.713 621 HG21 VAL 673 1HG2 VAL 673 -2.624 9.163 -21.626 622 HG22 VAL 673 2HG2 VAL 673 -4.143 8.548 -22.309 623 HG23 VAL 673 3HG2 VAL 673 -3.027 7.443 -21.483 624 H VAL 674 H VAL 674 -0.215 8.433 -20.876 625 HA VAL 674 HA VAL 674 -0.120 5.556 -20.074 626 HB VAL 674 HB VAL 674 1.890 6.027 -18.645 627 HG11 VAL 674 1HG1 VAL 674 3.590 6.119 -20.497 628 HG12 VAL 674 2HG1 VAL 674 2.323 4.902 -20.683 629 HG13 VAL 674 3HG1 VAL 674 2.249 6.404 -21.636 630 HG21 VAL 674 1HG2 VAL 674 1.677 8.470 -18.482 631 HG22 VAL 674 2HG2 VAL 674 3.285 8.001 -19.060 632 HG23 VAL 674 3HG2 VAL 674 2.082 8.633 -20.207 633 H ALA 675 H ALA 675 -0.333 5.337 -17.736 634 HA ALA 675 HA ALA 675 -1.702 7.683 -16.472 635 HB1 ALA 675 1HB ALA 675 -2.192 4.720 -15.997 636 HB2 ALA 675 2HB ALA 675 -3.058 6.089 -15.265 637 HB3 ALA 675 3HB ALA 675 -3.212 5.775 -17.004 638 H GLU 676 H GLU 676 -1.258 7.954 -14.242 639 HA GLU 676 HA GLU 676 1.095 6.418 -13.205 640 HB2 GLU 676 1HB GLU 676 1.820 8.620 -14.036 641 HB3 GLU 676 2HB GLU 676 0.531 9.413 -13.136 642 HG2 GLU 676 1HG GLU 676 2.280 7.790 -11.433 643 HG3 GLU 676 2HG GLU 676 3.134 9.071 -12.306 644 H ASN 677 H ASN 677 0.868 5.826 -11.056 645 HA ASN 677 HA ASN 677 -1.369 7.098 -9.590 646 HB2 ASN 677 1HB ASN 677 -2.425 5.175 -8.953 647 HB3 ASN 677 2HB ASN 677 -1.896 4.675 -10.558 648 HD21 ASN 677 1HD2 ASN 677 -1.137 2.133 -7.866 649 HD22 ASN 677 2HD2 ASN 677 -2.574 3.062 -8.249 650 H GLN 678 H GLN 678 -1.020 6.507 -7.176 651 HA GLN 678 HA GLN 678 1.473 7.697 -6.537 652 HB2 GLN 678 1HB GLN 678 0.705 7.327 -4.182 653 HB3 GLN 678 2HB GLN 678 -0.420 8.206 -5.249 654 HG2 GLN 678 1HG GLN 678 -1.880 6.365 -5.426 655 HG3 GLN 678 2HG GLN 678 -0.664 5.231 -4.833 656 HE21 GLN 678 1HE2 GLN 678 -2.280 5.340 -1.761 657 HE22 GLN 678 2HE2 GLN 678 -1.863 4.401 -3.182 658 H GLN 679 H GLN 679 1.189 4.531 -7.453 659 HA GLN 679 HA GLN 679 3.450 3.712 -5.664 660 HB2 GLN 679 1HB GLN 679 1.085 2.198 -6.722 661 HB3 GLN 679 2HB GLN 679 2.626 1.357 -6.548 662 HG2 GLN 679 1HG GLN 679 1.562 0.934 -4.543 663 HG3 GLN 679 2HG GLN 679 2.679 2.242 -4.155 664 HE21 GLN 679 1HE2 GLN 679 0.117 4.009 -2.665 665 HE22 GLN 679 2HE2 GLN 679 1.749 3.430 -2.656 666 H GLY 680 H GLY 680 2.319 4.068 -9.000 667 HA2 GLY 680 1HA GLY 680 4.933 3.872 -10.079 668 HA3 GLY 680 2HA GLY 680 4.155 2.295 -10.231 669 H LYS 681 H LYS 681 4.339 2.686 -12.618 670 HA LYS 681 HA LYS 681 2.071 4.444 -13.517 671 HB2 LYS 681 1HB LYS 681 4.803 4.300 -14.830 672 HB3 LYS 681 2HB LYS 681 3.390 5.176 -15.444 673 HG2 LYS 681 1HG LYS 681 3.456 6.308 -13.055 674 HG3 LYS 681 2HG LYS 681 5.155 5.824 -13.104 675 HD2 LYS 681 1HD LYS 681 3.723 7.500 -15.205 676 HD3 LYS 681 2HD LYS 681 4.762 8.134 -13.917 677 HE2 LYS 681 1HE LYS 681 6.621 6.695 -14.836 678 HE3 LYS 681 2HE LYS 681 5.577 6.349 -16.231 679 HZ1 LYS 681 1HZ LYS 681 7.032 8.241 -16.656 680 HZ2 LYS 681 2HZ LYS 681 6.432 9.053 -15.351 681 HZ3 LYS 681 3HZ LYS 681 5.460 8.739 -16.645 682 H SER 682 H SER 682 1.297 4.048 -15.658 683 HA SER 682 HA SER 682 0.985 1.148 -15.989 684 HB2 SER 682 1HB SER 682 -0.935 1.666 -17.204 685 HB3 SER 682 2HB SER 682 -0.843 3.024 -16.080 686 HG SER 682 HG SER 682 -0.063 2.960 -18.819 687 H LYS 683 H LYS 683 1.008 0.148 -18.118 688 HA LYS 683 HA LYS 683 3.386 0.825 -19.654 689 HB2 LYS 683 1HB LYS 683 2.202 -1.495 -19.442 690 HB3 LYS 683 2HB LYS 683 1.066 -0.859 -20.638 691 HG2 LYS 683 1HG LYS 683 3.068 -0.393 -22.142 692 HG3 LYS 683 2HG LYS 683 4.050 -1.317 -20.999 693 HD2 LYS 683 1HD LYS 683 1.584 -2.395 -22.423 694 HD3 LYS 683 2HD LYS 683 3.244 -2.599 -23.006 695 HE2 LYS 683 1HE LYS 683 3.820 -3.737 -20.844 696 HE3 LYS 683 2HE LYS 683 2.104 -3.656 -20.390 697 HZ1 LYS 683 1HZ LYS 683 2.651 -5.777 -21.417 698 HZ2 LYS 683 2HZ LYS 683 3.184 -5.031 -22.788 699 HZ3 LYS 683 3HZ LYS 683 1.589 -4.954 -22.376 700 H ALA 684 H ALA 684 3.396 1.809 -21.753 701 HA ALA 684 HA ALA 684 1.362 3.815 -22.172 702 HB1 ALA 684 1HB ALA 684 3.594 2.850 -24.025 703 HB2 ALA 684 2HB ALA 684 2.690 4.377 -24.165 704 HB3 ALA 684 3HB ALA 684 3.778 4.114 -22.781 705 H ALA 685 H ALA 685 -0.057 4.032 -23.874 706 HA ALA 685 HA ALA 685 -0.492 1.640 -25.618 707 HB1 ALA 685 1HB ALA 685 -2.658 3.478 -24.473 708 HB2 ALA 685 2HB ALA 685 -2.911 2.083 -25.546 709 HB3 ALA 685 3HB ALA 685 -2.338 1.830 -23.882 710 H HIS 686 H HIS 686 -0.746 2.312 -27.794 711 HA HIS 686 HA HIS 686 -0.748 5.212 -28.299 712 HB2 HIS 686 1HB HIS 686 1.123 4.919 -29.912 713 HB3 HIS 686 2HB HIS 686 1.554 4.668 -28.223 714 HD1 HIS 686 HD1 HIS 686 1.083 2.705 -31.430 715 HD2 HIS 686 HD2 HIS 686 2.471 2.174 -27.548 716 HE1 HIS 686 HE1 HIS 686 2.211 0.447 -31.364 717 H PHE 687 H PHE 687 -1.431 5.897 -30.314 718 HA PHE 687 HA PHE 687 -2.217 3.847 -32.263 719 HB2 PHE 687 1HB PHE 687 -4.498 4.205 -32.287 720 HB3 PHE 687 2HB PHE 687 -4.131 4.198 -30.558 721 HD1 PHE 687 HD1 PHE 687 -3.883 6.494 -29.368 722 HD2 PHE 687 HD2 PHE 687 -5.575 6.022 -33.296 723 HE1 PHE 687 HE1 PHE 687 -5.055 8.691 -29.131 724 HE2 PHE 687 HE2 PHE 687 -6.736 8.191 -33.063 725 HZ PHE 687 HZ PHE 687 -6.502 9.538 -30.985 726 H VAL 688 H VAL 688 -2.848 4.780 -34.330 727 HA VAL 688 HA VAL 688 -1.702 7.511 -34.748 728 HB VAL 688 HB VAL 688 -1.517 5.048 -36.572 729 HG11 VAL 688 1HG1 VAL 688 -1.680 7.129 -37.896 730 HG12 VAL 688 2HG1 VAL 688 -0.357 7.852 -36.948 731 HG13 VAL 688 3HG1 VAL 688 -0.045 6.454 -38.001 732 HG21 VAL 688 1HG2 VAL 688 0.636 6.487 -34.956 733 HG22 VAL 688 2HG2 VAL 688 0.029 4.838 -34.684 734 HG23 VAL 688 3HG2 VAL 688 0.945 5.210 -36.154 735 H PHE 689 H PHE 689 -2.948 8.850 -36.098 736 HA PHE 689 HA PHE 689 -5.349 7.658 -37.384 737 HB2 PHE 689 1HB PHE 689 -5.952 8.220 -35.038 738 HB3 PHE 689 2HB PHE 689 -5.478 9.890 -35.328 739 HD1 PHE 689 HD1 PHE 689 -6.899 11.381 -36.673 740 HD2 PHE 689 HD2 PHE 689 -8.003 7.277 -36.032 741 HE1 PHE 689 HE1 PHE 689 -9.198 11.902 -37.432 742 HE2 PHE 689 HE2 PHE 689 -10.320 7.785 -36.810 743 HZ PHE 689 HZ PHE 689 -10.920 10.112 -37.502 744 H ARG 690 H ARG 690 -6.399 9.076 -38.859 745 HA ARG 690 HA ARG 690 -5.400 11.726 -39.493 746 HB2 ARG 690 1HB ARG 690 -4.847 10.979 -41.901 747 HB3 ARG 690 2HB ARG 690 -3.633 10.777 -40.665 748 HG2 ARG 690 1HG ARG 690 -3.392 8.775 -41.687 749 HG3 ARG 690 2HG ARG 690 -4.610 8.290 -40.524 750 HD2 ARG 690 1HD ARG 690 -6.256 8.113 -42.131 751 HD3 ARG 690 2HD ARG 690 -5.525 9.350 -43.167 752 HE ARG 690 HE ARG 690 -4.875 6.499 -43.096 753 HH11 ARG 690 1HH1 ARG 690 -3.809 9.685 -44.216 754 HH12 ARG 690 2HH1 ARG 690 -2.718 8.995 -45.385 755 HH21 ARG 690 1HH2 ARG 690 -3.470 5.716 -44.621 756 HH22 ARG 690 2HH2 ARG 690 -2.540 6.801 -45.613 757 H THR 691 H THR 691 -6.905 12.679 -41.106 758 HA THR 691 HA THR 691 -9.182 10.942 -41.884 759 HB THR 691 HB THR 691 -9.743 11.741 -39.587 760 HG1 THR 691 HG1 THR 691 -11.776 12.638 -40.184 761 HG21 THR 691 1HG2 THR 691 -9.528 14.511 -40.826 762 HG22 THR 691 2HG2 THR 691 -8.571 13.855 -39.479 763 HG23 THR 691 3HG2 THR 691 -10.309 14.155 -39.270 764 H HIS 692 H HIS 692 -10.892 12.527 -42.977 765 HA HIS 692 HA HIS 692 -11.422 13.801 -44.768 766 HB2 HIS 692 1HB HIS 692 -9.078 15.508 -43.880 767 HB3 HIS 692 2HB HIS 692 -10.260 15.973 -45.103 768 HD1 HIS 692 HD1 HIS 692 -10.705 18.019 -43.343 769 HD2 HIS 692 HD2 HIS 692 -11.989 14.239 -42.188 770 HE1 HIS 692 HE1 HIS 692 -12.344 18.354 -41.451 771 H HIS 693 H HIS 693 -8.983 11.771 -44.950 772 HA HIS 693 HA HIS 693 -7.867 12.617 -47.538 773 HB2 HIS 693 1HB HIS 693 -7.639 10.033 -45.942 774 HB3 HIS 693 2HB HIS 693 -6.807 10.348 -47.470 775 HD1 HIS 693 HD1 HIS 693 -4.930 12.301 -47.392 776 HD2 HIS 693 HD2 HIS 693 -6.415 11.044 -43.722 777 HE1 HIS 693 HE1 HIS 693 -3.306 13.116 -45.632 778 H HIS 694 H HIS 694 -9.104 12.404 -49.315 779 HA HIS 694 HA HIS 694 -10.984 10.086 -49.464 780 HB2 HIS 694 1HB HIS 694 -11.487 12.881 -50.542 781 HB3 HIS 694 2HB HIS 694 -12.612 11.518 -50.545 782 HD1 HIS 694 HD1 HIS 694 -12.359 14.556 -48.887 783 HD2 HIS 694 HD2 HIS 694 -12.704 10.655 -47.492 784 HE1 HIS 694 HE1 HIS 694 -13.277 14.704 -46.540 785 H HIS 695 H HIS 695 -11.650 9.747 -51.836 786 HA HIS 695 HA HIS 695 -9.212 9.535 -53.404 787 HB2 HIS 695 1HB HIS 695 -10.541 8.344 -54.995 788 HB3 HIS 695 2HB HIS 695 -11.067 7.822 -53.391 789 HD1 HIS 695 HD1 HIS 695 -12.241 9.813 -56.394 790 HD2 HIS 695 HD2 HIS 695 -13.693 8.442 -52.745 791 HE1 HIS 695 HE1 HIS 695 -14.734 10.217 -56.404 792 H HIS 696 H HIS 696 -9.470 10.147 -55.832 793 HA HIS 696 HA HIS 696 -10.745 12.808 -56.196 794 HB2 HIS 696 1HB HIS 696 -8.627 13.508 -57.401 795 HB3 HIS 696 2HB HIS 696 -8.464 13.374 -55.650 796 HD1 HIS 696 HD1 HIS 696 -6.897 11.521 -54.718 797 HD2 HIS 696 HD2 HIS 696 -7.188 11.578 -58.871 798 HE1 HIS 696 HE1 HIS 696 -5.067 10.018 -55.594 799 H HIS 697 H HIS 697 -9.870 13.100 -58.845 800 HA HIS 697 HA HIS 697 -10.665 10.572 -60.204 801 HB2 HIS 697 1HB HIS 697 -11.636 13.389 -60.844 802 HB3 HIS 697 2HB HIS 697 -12.006 11.927 -61.768 803 HD1 HIS 697 HD1 HIS 697 -13.223 9.977 -60.037 804 HD2 HIS 697 HD2 HIS 697 -13.645 14.021 -59.179 805 HE1 HIS 697 HE1 HIS 697 -15.242 10.191 -58.538 Start of MODEL 16 1 H1 MET 595 1H MET 595 3.244 1.223 -0.386 2 H2 MET 595 2H MET 595 2.196 0.045 -0.863 3 H3 MET 595 3H MET 595 3.579 -0.361 -0.057 4 HA MET 595 HA MET 595 3.413 0.849 -2.714 5 HB2 MET 595 1HB MET 595 5.931 -0.196 -1.426 6 HB3 MET 595 2HB MET 595 5.744 0.733 -2.927 7 HG2 MET 595 1HG MET 595 5.335 1.714 -0.082 8 HG3 MET 595 2HG MET 595 6.601 2.199 -1.224 9 HE1 MET 595 1HE MET 595 4.822 4.367 0.327 10 HE2 MET 595 2HE MET 595 6.066 4.793 -0.875 11 HE3 MET 595 3HE MET 595 4.431 5.481 -1.004 12 H GLN 596 H GLN 596 5.214 -2.013 -1.451 13 HA GLN 596 HA GLN 596 4.907 -3.489 -3.765 14 HB2 GLN 596 1HB GLN 596 5.188 -4.407 -0.900 15 HB3 GLN 596 2HB GLN 596 5.365 -5.479 -2.295 16 HG2 GLN 596 1HG GLN 596 7.282 -4.278 -3.094 17 HG3 GLN 596 2HG GLN 596 7.034 -2.971 -1.927 18 HE21 GLN 596 1HE2 GLN 596 9.338 -6.036 -0.914 19 HE22 GLN 596 2HE2 GLN 596 8.828 -5.685 -2.548 20 HA PRO 597 HA PRO 597 1.163 -5.886 -2.475 21 HB2 PRO 597 1HB PRO 597 -0.797 -4.927 -0.877 22 HB3 PRO 597 2HB PRO 597 0.666 -5.713 -0.197 23 HG2 PRO 597 1HG PRO 597 0.109 -2.786 -0.589 24 HG3 PRO 597 2HG PRO 597 0.616 -3.646 0.901 25 HD2 PRO 597 1HD PRO 597 2.401 -2.398 -0.697 26 HD3 PRO 597 2HD PRO 597 2.807 -3.941 0.127 27 H VAL 598 H VAL 598 1.341 -2.686 -3.534 28 HA VAL 598 HA VAL 598 -1.384 -2.763 -4.756 29 HB VAL 598 HB VAL 598 0.538 -0.496 -4.150 30 HG11 VAL 598 1HG1 VAL 598 -0.194 0.081 -6.309 31 HG12 VAL 598 2HG1 VAL 598 -1.833 -0.483 -5.996 32 HG13 VAL 598 3HG1 VAL 598 -1.247 0.987 -5.208 33 HG21 VAL 598 1HG2 VAL 598 -2.350 -0.973 -3.331 34 HG22 VAL 598 2HG2 VAL 598 -0.921 -1.203 -2.300 35 HG23 VAL 598 3HG2 VAL 598 -1.348 0.422 -2.868 36 H ARG 599 H ARG 599 -1.434 -3.465 -6.746 37 HA ARG 599 HA ARG 599 0.963 -3.651 -8.392 38 HB2 ARG 599 1HB ARG 599 -0.501 -4.676 -10.040 39 HB3 ARG 599 2HB ARG 599 -0.863 -5.353 -8.447 40 HG2 ARG 599 1HG ARG 599 -2.815 -3.824 -8.267 41 HG3 ARG 599 2HG ARG 599 -2.457 -3.217 -9.890 42 HD2 ARG 599 1HD ARG 599 -2.811 -5.478 -10.816 43 HD3 ARG 599 2HD ARG 599 -3.211 -6.078 -9.193 44 HE ARG 599 HE ARG 599 -4.854 -4.314 -10.920 45 HH11 ARG 599 1HH1 ARG 599 -4.547 -5.807 -7.721 46 HH12 ARG 599 2HH1 ARG 599 -6.209 -5.469 -7.322 47 HH21 ARG 599 1HH2 ARG 599 -6.925 -3.916 -10.325 48 HH22 ARG 599 2HH2 ARG 599 -7.539 -4.449 -8.776 49 H GLU 600 H GLU 600 1.214 -2.723 -10.469 50 HA GLU 600 HA GLU 600 0.704 0.108 -10.536 51 HB2 GLU 600 1HB GLU 600 1.710 -1.838 -12.662 52 HB3 GLU 600 2HB GLU 600 1.767 -0.087 -12.793 53 HG2 GLU 600 1HG GLU 600 3.922 -0.566 -12.131 54 HG3 GLU 600 2HG GLU 600 3.150 -0.152 -10.595 55 HA PRO 601 HA PRO 601 -3.086 0.176 -12.753 56 HB2 PRO 601 1HB PRO 601 -2.850 2.326 -14.446 57 HB3 PRO 601 2HB PRO 601 -3.048 2.467 -12.682 58 HG2 PRO 601 1HG PRO 601 -0.562 2.584 -14.295 59 HG3 PRO 601 2HG PRO 601 -1.103 3.674 -13.009 60 HD2 PRO 601 1HD PRO 601 0.704 1.713 -12.629 61 HD3 PRO 601 2HD PRO 601 -0.473 2.178 -11.362 62 H SER 602 H SER 602 -4.200 -0.026 -14.749 63 HA SER 602 HA SER 602 -2.863 -1.828 -16.592 64 HB2 SER 602 1HB SER 602 -5.206 -2.178 -15.896 65 HB3 SER 602 2HB SER 602 -5.656 -0.603 -16.582 66 HG SER 602 HG SER 602 -5.455 -1.377 -18.575 67 H ALA 603 H ALA 603 -2.738 -1.516 -18.884 68 HA ALA 603 HA ALA 603 -1.890 1.073 -19.737 69 HB1 ALA 603 1HB ALA 603 -1.278 -1.084 -20.908 70 HB2 ALA 603 2HB ALA 603 -2.971 -1.239 -21.439 71 HB3 ALA 603 3HB ALA 603 -1.975 0.116 -22.017 72 HA PRO 604 HA PRO 604 -5.882 2.903 -20.026 73 HB2 PRO 604 1HB PRO 604 -5.532 4.819 -21.963 74 HB3 PRO 604 2HB PRO 604 -4.807 4.940 -20.328 75 HG2 PRO 604 1HG PRO 604 -3.594 3.923 -22.850 76 HG3 PRO 604 2HG PRO 604 -2.959 5.126 -21.698 77 HD2 PRO 604 1HD PRO 604 -2.132 2.604 -21.640 78 HD3 PRO 604 2HD PRO 604 -2.422 3.517 -20.115 79 H LYS 605 H LYS 605 -7.790 3.114 -21.287 80 HA LYS 605 HA LYS 605 -8.039 1.040 -23.358 81 HB2 LYS 605 1HB LYS 605 -9.991 3.182 -22.437 82 HB3 LYS 605 2HB LYS 605 -10.366 1.928 -23.585 83 HG2 LYS 605 1HG LYS 605 -11.336 1.095 -21.698 84 HG3 LYS 605 2HG LYS 605 -9.784 0.261 -21.684 85 HD2 LYS 605 1HD LYS 605 -10.559 1.109 -19.443 86 HD3 LYS 605 2HD LYS 605 -8.951 1.660 -19.910 87 HE2 LYS 605 1HE LYS 605 -10.328 3.421 -18.823 88 HE3 LYS 605 2HE LYS 605 -9.739 3.874 -20.410 89 HZ1 LYS 605 1HZ LYS 605 -11.958 3.544 -21.310 90 HZ2 LYS 605 2HZ LYS 605 -12.041 4.569 -20.023 91 HZ3 LYS 605 3HZ LYS 605 -12.528 2.999 -19.860 92 H LEU 606 H LEU 606 -8.817 1.551 -25.595 93 HA LEU 606 HA LEU 606 -8.545 4.361 -26.395 94 HB2 LEU 606 1HB LEU 606 -6.256 3.395 -26.633 95 HB3 LEU 606 2HB LEU 606 -6.892 2.167 -27.711 96 HG LEU 606 HG LEU 606 -5.632 4.213 -28.669 97 HD11 LEU 606 1HD1 LEU 606 -6.950 4.233 -30.729 98 HD12 LEU 606 2HD1 LEU 606 -8.314 3.468 -29.888 99 HD13 LEU 606 3HD1 LEU 606 -6.790 2.585 -30.087 100 HD21 LEU 606 1HD2 LEU 606 -8.355 5.522 -28.320 101 HD22 LEU 606 2HD2 LEU 606 -6.966 6.183 -29.194 102 HD23 LEU 606 3HD2 LEU 606 -6.873 5.945 -27.440 103 H GLU 607 H GLU 607 -10.376 4.726 -27.417 104 HA GLU 607 HA GLU 607 -11.579 2.502 -29.006 105 HB2 GLU 607 1HB GLU 607 -13.012 4.955 -27.972 106 HB3 GLU 607 2HB GLU 607 -13.716 3.466 -28.606 107 HG2 GLU 607 1HG GLU 607 -12.268 3.876 -25.982 108 HG3 GLU 607 2HG GLU 607 -13.970 3.472 -26.208 109 H GLY 608 H GLY 608 -9.983 5.478 -29.262 110 HA2 GLY 608 1HA GLY 608 -9.486 6.811 -31.066 111 HA3 GLY 608 2HA GLY 608 -9.845 5.384 -32.041 112 H GLN 609 H GLN 609 -11.907 7.677 -30.156 113 HA GLN 609 HA GLN 609 -13.922 7.509 -32.262 114 HB2 GLN 609 1HB GLN 609 -13.701 9.191 -29.743 115 HB3 GLN 609 2HB GLN 609 -15.101 9.211 -30.827 116 HG2 GLN 609 1HG GLN 609 -14.038 6.773 -29.329 117 HG3 GLN 609 2HG GLN 609 -15.456 7.729 -28.865 118 HE21 GLN 609 1HE2 GLN 609 -15.860 4.694 -31.391 119 HE22 GLN 609 2HE2 GLN 609 -14.462 4.971 -30.379 120 H MET 610 H MET 610 -13.828 8.608 -34.055 121 HA MET 610 HA MET 610 -11.755 10.342 -34.739 122 HB2 MET 610 1HB MET 610 -14.536 10.269 -35.955 123 HB3 MET 610 2HB MET 610 -13.061 10.858 -36.732 124 HG2 MET 610 1HG MET 610 -12.112 8.526 -36.472 125 HG3 MET 610 2HG MET 610 -13.722 7.999 -35.958 126 HE1 MET 610 1HE MET 610 -15.815 9.532 -37.783 127 HE2 MET 610 2HE MET 610 -15.908 8.419 -39.166 128 HE3 MET 610 3HE MET 610 -15.811 7.771 -37.512 129 H GLY 611 H GLY 611 -11.438 12.513 -34.901 130 HA2 GLY 611 1HA GLY 611 -13.035 14.166 -33.123 131 HA3 GLY 611 2HA GLY 611 -11.603 14.648 -34.021 132 H GLU 612 H GLU 612 -15.068 14.133 -34.192 133 HA GLU 612 HA GLU 612 -15.552 15.170 -36.810 134 HB2 GLU 612 1HB GLU 612 -17.093 13.876 -35.274 135 HB3 GLU 612 2HB GLU 612 -17.285 15.347 -34.315 136 HG2 GLU 612 1HG GLU 612 -18.306 16.484 -36.234 137 HG3 GLU 612 2HG GLU 612 -18.036 15.047 -37.241 138 H ASP 613 H ASP 613 -14.853 16.586 -33.709 139 HA ASP 613 HA ASP 613 -15.658 19.269 -34.057 140 HB2 ASP 613 1HB ASP 613 -13.220 18.168 -32.615 141 HB3 ASP 613 2HB ASP 613 -13.983 19.722 -32.294 142 H GLY 614 H GLY 614 -13.023 17.478 -35.488 143 HA2 GLY 614 1HA GLY 614 -11.623 18.137 -37.211 144 HA3 GLY 614 2HA GLY 614 -12.212 19.797 -37.067 145 H ASN 615 H ASN 615 -9.454 18.607 -37.328 146 HA ASN 615 HA ASN 615 -7.333 18.996 -36.566 147 HB2 ASN 615 1HB ASN 615 -8.599 21.364 -36.670 148 HB3 ASN 615 2HB ASN 615 -8.268 21.346 -34.934 149 HD21 ASN 615 1HD2 ASN 615 -4.676 21.377 -35.495 150 HD22 ASN 615 2HD2 ASN 615 -5.881 20.529 -34.537 151 H SER 616 H SER 616 -9.160 17.301 -34.921 152 HA SER 616 HA SER 616 -7.647 17.207 -32.414 153 HB2 SER 616 1HB SER 616 -9.731 17.509 -31.074 154 HB3 SER 616 2HB SER 616 -9.297 18.968 -31.985 155 HG SER 616 HG SER 616 -10.911 18.657 -33.352 156 H ILE 617 H ILE 617 -8.760 15.495 -30.903 157 HA ILE 617 HA ILE 617 -10.531 13.556 -32.142 158 HB ILE 617 HB ILE 617 -8.320 12.926 -33.176 159 HG12 ILE 617 1HG1 ILE 617 -9.121 10.653 -31.392 160 HG13 ILE 617 2HG1 ILE 617 -10.360 11.397 -32.399 161 HG21 ILE 617 1HG2 ILE 617 -6.592 11.825 -31.821 162 HG22 ILE 617 2HG2 ILE 617 -6.849 13.475 -31.230 163 HG23 ILE 617 3HG2 ILE 617 -7.531 12.097 -30.338 164 HD11 ILE 617 1HD1 ILE 617 -7.787 10.191 -33.426 165 HD12 ILE 617 2HD1 ILE 617 -9.391 9.426 -33.465 166 HD13 ILE 617 3HD1 ILE 617 -9.085 10.899 -34.412 167 H LYS 618 H LYS 618 -11.186 11.849 -30.632 168 HA LYS 618 HA LYS 618 -10.624 12.587 -27.777 169 HB2 LYS 618 1HB LYS 618 -12.964 10.914 -28.706 170 HB3 LYS 618 2HB LYS 618 -12.779 11.809 -27.206 171 HG2 LYS 618 1HG LYS 618 -14.267 13.194 -28.241 172 HG3 LYS 618 2HG LYS 618 -12.793 13.895 -28.925 173 HD2 LYS 618 1HD LYS 618 -13.054 12.467 -30.936 174 HD3 LYS 618 2HD LYS 618 -14.491 11.733 -30.258 175 HE2 LYS 618 1HE LYS 618 -14.077 14.594 -31.156 176 HE3 LYS 618 2HE LYS 618 -15.105 13.376 -31.905 177 HZ1 LYS 618 1HZ LYS 618 -16.244 15.140 -30.626 178 HZ2 LYS 618 2HZ LYS 618 -15.647 14.491 -29.233 179 HZ3 LYS 618 3HZ LYS 618 -16.666 13.601 -30.184 180 H VAL 619 H VAL 619 -9.403 11.140 -26.690 181 HA VAL 619 HA VAL 619 -9.406 8.302 -27.670 182 HB VAL 619 HB VAL 619 -7.189 8.480 -28.037 183 HG11 VAL 619 1HG1 VAL 619 -7.357 10.886 -28.373 184 HG12 VAL 619 2HG1 VAL 619 -7.223 11.183 -26.623 185 HG13 VAL 619 3HG1 VAL 619 -5.850 10.517 -27.524 186 HG21 VAL 619 1HG2 VAL 619 -6.984 7.444 -25.820 187 HG22 VAL 619 2HG2 VAL 619 -5.612 8.515 -26.147 188 HG23 VAL 619 3HG2 VAL 619 -6.908 9.045 -25.058 189 H ASN 620 H ASN 620 -9.316 6.705 -25.931 190 HA ASN 620 HA ASN 620 -10.976 7.607 -23.724 191 HB2 ASN 620 1HB ASN 620 -10.357 5.144 -25.068 192 HB3 ASN 620 2HB ASN 620 -10.108 4.960 -23.334 193 HD21 ASN 620 1HD2 ASN 620 -13.819 5.990 -24.666 194 HD22 ASN 620 2HD2 ASN 620 -12.404 6.556 -25.510 195 H LEU 621 H LEU 621 -10.630 7.502 -21.560 196 HA LEU 621 HA LEU 621 -7.809 7.111 -20.711 197 HB2 LEU 621 1HB LEU 621 -8.774 9.528 -20.922 198 HB3 LEU 621 2HB LEU 621 -9.586 9.122 -19.415 199 HG LEU 621 HG LEU 621 -7.257 8.435 -18.550 200 HD11 LEU 621 1HD1 LEU 621 -5.343 9.501 -19.594 201 HD12 LEU 621 2HD1 LEU 621 -6.368 10.230 -20.844 202 HD13 LEU 621 3HD1 LEU 621 -6.136 8.470 -20.799 203 HD21 LEU 621 1HD2 LEU 621 -8.133 11.273 -19.212 204 HD22 LEU 621 2HD2 LEU 621 -6.756 10.919 -18.153 205 HD23 LEU 621 3HD2 LEU 621 -8.375 10.355 -17.701 206 H ILE 622 H ILE 622 -7.460 6.363 -18.574 207 HA ILE 622 HA ILE 622 -9.399 4.492 -17.531 208 HB ILE 622 HB ILE 622 -6.882 5.733 -16.402 209 HG12 ILE 622 1HG1 ILE 622 -6.819 2.896 -16.766 210 HG13 ILE 622 2HG1 ILE 622 -7.289 3.671 -18.286 211 HG21 ILE 622 1HG2 ILE 622 -8.252 5.082 -14.500 212 HG22 ILE 622 2HG2 ILE 622 -8.504 3.475 -15.223 213 HG23 ILE 622 3HG2 ILE 622 -6.900 3.963 -14.690 214 HD11 ILE 622 1HD1 ILE 622 -4.865 4.280 -16.606 215 HD12 ILE 622 2HD1 ILE 622 -4.894 3.344 -18.109 216 HD13 ILE 622 3HD1 ILE 622 -5.301 5.077 -18.143 217 H LYS 623 H LYS 623 -10.957 4.786 -15.997 218 HA LYS 623 HA LYS 623 -11.041 7.425 -14.651 219 HB2 LYS 623 1HB LYS 623 -13.520 7.293 -14.758 220 HB3 LYS 623 2HB LYS 623 -12.708 7.456 -16.308 221 HG2 LYS 623 1HG LYS 623 -14.012 5.815 -16.991 222 HG3 LYS 623 2HG LYS 623 -12.951 4.716 -16.139 223 HD2 LYS 623 1HD LYS 623 -14.359 4.764 -14.206 224 HD3 LYS 623 2HD LYS 623 -15.434 5.970 -14.975 225 HE2 LYS 623 1HE LYS 623 -14.713 3.332 -16.230 226 HE3 LYS 623 2HE LYS 623 -16.129 3.511 -15.161 227 HZ1 LYS 623 1HZ LYS 623 -16.949 5.223 -16.711 228 HZ2 LYS 623 2HZ LYS 623 -16.760 3.775 -17.480 229 HZ3 LYS 623 3HZ LYS 623 -15.664 4.992 -17.703 230 H GLN 624 H GLN 624 -10.158 4.554 -13.777 231 HA GLN 624 HA GLN 624 -11.394 4.767 -11.119 232 HB2 GLN 624 1HB GLN 624 -12.184 2.491 -11.039 233 HB3 GLN 624 2HB GLN 624 -12.971 3.323 -12.374 234 HG2 GLN 624 1HG GLN 624 -10.537 1.555 -12.800 235 HG3 GLN 624 2HG GLN 624 -12.178 0.907 -12.757 236 HE21 GLN 624 1HE2 GLN 624 -10.774 2.507 -16.114 237 HE22 GLN 624 2HE2 GLN 624 -9.786 2.180 -14.700 238 H ASP 625 H ASP 625 -10.466 2.868 -9.676 239 HA ASP 625 HA ASP 625 -7.562 2.956 -10.000 240 HB2 ASP 625 1HB ASP 625 -7.574 1.619 -7.882 241 HB3 ASP 625 2HB ASP 625 -8.414 3.170 -7.759 242 H ASP 626 H ASP 626 -6.754 1.752 -11.572 243 HA ASP 626 HA ASP 626 -7.934 -0.764 -12.457 244 HB2 ASP 626 1HB ASP 626 -5.172 0.426 -12.868 245 HB3 ASP 626 2HB ASP 626 -5.841 -0.943 -13.779 246 H GLY 627 H GLY 627 -5.664 0.371 -10.186 247 HA2 GLY 627 1HA GLY 627 -4.389 -2.285 -9.905 248 HA3 GLY 627 2HA GLY 627 -3.638 -0.745 -9.508 249 H GLY 628 H GLY 628 -3.210 -0.822 -7.535 250 HA2 GLY 628 1HA GLY 628 -5.289 -1.744 -5.576 251 HA3 GLY 628 2HA GLY 628 -3.551 -1.681 -5.255 252 H SER 629 H SER 629 -4.169 1.032 -6.963 253 HA SER 629 HA SER 629 -5.283 2.720 -4.840 254 HB2 SER 629 1HB SER 629 -2.933 2.640 -4.130 255 HB3 SER 629 2HB SER 629 -2.387 2.942 -5.790 256 HG SER 629 HG SER 629 -2.744 4.754 -4.009 257 HA PRO 630 HA PRO 630 -6.579 4.438 -8.676 258 HB2 PRO 630 1HB PRO 630 -7.195 7.029 -8.068 259 HB3 PRO 630 2HB PRO 630 -8.173 5.645 -7.483 260 HG2 PRO 630 1HG PRO 630 -5.963 7.115 -6.068 261 HG3 PRO 630 2HG PRO 630 -7.632 6.773 -5.501 262 HD2 PRO 630 1HD PRO 630 -5.594 5.196 -4.768 263 HD3 PRO 630 2HD PRO 630 -7.182 4.478 -5.210 264 H ILE 631 H ILE 631 -6.096 5.929 -10.358 265 HA ILE 631 HA ILE 631 -3.283 6.436 -10.657 266 HB ILE 631 HB ILE 631 -5.727 7.219 -12.311 267 HG12 ILE 631 1HG1 ILE 631 -4.695 5.712 -14.025 268 HG13 ILE 631 2HG1 ILE 631 -3.371 5.357 -12.904 269 HG21 ILE 631 1HG2 ILE 631 -3.942 7.891 -14.045 270 HG22 ILE 631 2HG2 ILE 631 -4.197 9.008 -12.708 271 HG23 ILE 631 3HG2 ILE 631 -2.799 7.912 -12.720 272 HD11 ILE 631 1HD1 ILE 631 -4.803 4.082 -11.514 273 HD12 ILE 631 2HD1 ILE 631 -6.255 4.681 -12.363 274 HD13 ILE 631 3HD1 ILE 631 -5.112 3.609 -13.198 275 H ARG 632 H ARG 632 -2.129 8.290 -10.216 276 HA ARG 632 HA ARG 632 -3.547 10.430 -8.765 277 HB2 ARG 632 1HB ARG 632 -0.641 9.883 -9.458 278 HB3 ARG 632 2HB ARG 632 -1.172 11.410 -8.759 279 HG2 ARG 632 1HG ARG 632 -2.013 10.210 -6.742 280 HG3 ARG 632 2HG ARG 632 -1.438 8.656 -7.393 281 HD2 ARG 632 1HD ARG 632 0.219 9.489 -5.856 282 HD3 ARG 632 2HD ARG 632 0.880 9.619 -7.491 283 HE ARG 632 HE ARG 632 -0.067 11.867 -5.779 284 HH11 ARG 632 1HH1 ARG 632 1.704 10.831 -8.686 285 HH12 ARG 632 2HH1 ARG 632 2.362 12.429 -8.923 286 HH21 ARG 632 1HH2 ARG 632 0.840 13.845 -6.175 287 HH22 ARG 632 2HH2 ARG 632 1.871 14.088 -7.556 288 H HIS 633 H HIS 633 -1.526 10.079 -11.743 289 HA HIS 633 HA HIS 633 -3.060 12.341 -12.943 290 HB2 HIS 633 1HB HIS 633 -0.025 12.140 -13.013 291 HB3 HIS 633 2HB HIS 633 -1.020 13.415 -13.726 292 HD1 HIS 633 HD1 HIS 633 -2.625 14.636 -11.643 293 HD2 HIS 633 HD2 HIS 633 1.047 12.932 -10.709 294 HE1 HIS 633 HE1 HIS 633 -1.887 15.666 -9.460 295 H TYR 634 H TYR 634 -2.812 12.509 -15.287 296 HA TYR 634 HA TYR 634 -1.862 9.973 -16.571 297 HB2 TYR 634 1HB TYR 634 -4.055 11.899 -17.432 298 HB3 TYR 634 2HB TYR 634 -3.447 10.545 -18.404 299 HD1 TYR 634 HD1 TYR 634 -5.741 11.525 -15.803 300 HD2 TYR 634 HD2 TYR 634 -3.610 8.181 -17.438 301 HE1 TYR 634 HE1 TYR 634 -7.232 9.974 -14.587 302 HE2 TYR 634 HE2 TYR 634 -5.110 6.645 -16.198 303 HH TYR 634 HH TYR 634 -7.895 7.816 -14.315 304 H LEU 635 H LEU 635 -0.601 10.159 -18.395 305 HA LEU 635 HA LEU 635 0.237 12.937 -19.121 306 HB2 LEU 635 1HB LEU 635 2.050 10.525 -18.809 307 HB3 LEU 635 2HB LEU 635 2.528 12.103 -19.414 308 HG LEU 635 HG LEU 635 1.494 12.774 -16.962 309 HD11 LEU 635 1HD1 LEU 635 2.876 10.071 -16.628 310 HD12 LEU 635 2HD1 LEU 635 1.169 10.419 -16.287 311 HD13 LEU 635 3HD1 LEU 635 2.435 11.180 -15.309 312 HD21 LEU 635 1HD2 LEU 635 4.344 11.940 -17.635 313 HD22 LEU 635 2HD2 LEU 635 3.856 12.964 -16.261 314 HD23 LEU 635 3HD2 LEU 635 3.614 13.536 -17.922 315 H VAL 636 H VAL 636 -0.774 13.115 -21.082 316 HA VAL 636 HA VAL 636 -0.445 10.885 -23.025 317 HB VAL 636 HB VAL 636 -1.879 13.526 -23.462 318 HG11 VAL 636 1HG1 VAL 636 -1.968 10.839 -24.873 319 HG12 VAL 636 2HG1 VAL 636 -3.108 12.162 -25.177 320 HG13 VAL 636 3HG1 VAL 636 -1.386 12.388 -25.529 321 HG21 VAL 636 1HG2 VAL 636 -3.987 12.213 -23.002 322 HG22 VAL 636 2HG2 VAL 636 -2.972 10.917 -22.354 323 HG23 VAL 636 3HG2 VAL 636 -2.990 12.511 -21.570 324 H ARG 637 H ARG 637 1.015 10.980 -24.696 325 HA ARG 637 HA ARG 637 2.509 13.558 -25.069 326 HB2 ARG 637 1HB ARG 637 3.745 11.710 -23.788 327 HB3 ARG 637 2HB ARG 637 3.623 10.732 -25.250 328 HG2 ARG 637 1HG ARG 637 4.796 12.781 -26.394 329 HG3 ARG 637 2HG ARG 637 5.235 13.226 -24.745 330 HD2 ARG 637 1HD ARG 637 7.051 11.948 -25.631 331 HD3 ARG 637 2HD ARG 637 6.203 10.899 -24.476 332 HE ARG 637 HE ARG 637 5.100 10.460 -27.057 333 HH11 ARG 637 1HH1 ARG 637 8.163 9.884 -25.402 334 HH12 ARG 637 2HH1 ARG 637 8.541 8.500 -26.393 335 HH21 ARG 637 1HH2 ARG 637 5.653 8.689 -28.282 336 HH22 ARG 637 2HH2 ARG 637 7.142 7.835 -27.986 337 H TYR 638 H TYR 638 1.965 14.250 -27.145 338 HA TYR 638 HA TYR 638 1.714 12.135 -29.223 339 HB2 TYR 638 1HB TYR 638 -0.352 13.003 -30.067 340 HB3 TYR 638 2HB TYR 638 -0.548 12.606 -28.361 341 HD1 TYR 638 HD1 TYR 638 -1.107 15.063 -30.878 342 HD2 TYR 638 HD2 TYR 638 -0.285 14.663 -26.664 343 HE1 TYR 638 HE1 TYR 638 -2.054 17.336 -30.467 344 HE2 TYR 638 HE2 TYR 638 -1.202 16.943 -26.278 345 HH TYR 638 HH TYR 638 -2.622 18.899 -28.915 346 H ARG 639 H ARG 639 2.031 12.753 -31.357 347 HA ARG 639 HA ARG 639 3.200 15.481 -31.793 348 HB2 ARG 639 1HB ARG 639 5.164 14.328 -31.398 349 HB3 ARG 639 2HB ARG 639 4.541 12.800 -31.939 350 HG2 ARG 639 1HG ARG 639 5.205 15.001 -33.895 351 HG3 ARG 639 2HG ARG 639 6.437 13.910 -33.263 352 HD2 ARG 639 1HD ARG 639 4.519 12.144 -33.995 353 HD3 ARG 639 2HD ARG 639 4.268 13.391 -35.214 354 HE ARG 639 HE ARG 639 6.424 11.487 -35.012 355 HH11 ARG 639 1HH1 ARG 639 5.692 14.750 -36.237 356 HH12 ARG 639 2HH1 ARG 639 6.967 14.676 -37.430 357 HH21 ARG 639 1HH2 ARG 639 8.000 11.488 -36.566 358 HH22 ARG 639 2HH2 ARG 639 8.247 12.868 -37.606 359 H ALA 640 H ALA 640 2.964 16.176 -33.920 360 HA ALA 640 HA ALA 640 1.266 14.416 -35.634 361 HB1 ALA 640 1HB ALA 640 0.256 16.607 -34.708 362 HB2 ALA 640 2HB ALA 640 1.412 17.441 -35.778 363 HB3 ALA 640 3HB ALA 640 0.190 16.354 -36.462 364 H LEU 641 H LEU 641 1.718 14.806 -38.047 365 HA LEU 641 HA LEU 641 4.490 14.434 -38.537 366 HB2 LEU 641 1HB LEU 641 2.071 14.418 -40.010 367 HB3 LEU 641 2HB LEU 641 3.101 15.602 -40.806 368 HG LEU 641 HG LEU 641 4.881 13.881 -41.038 369 HD11 LEU 641 1HD1 LEU 641 4.254 11.476 -40.711 370 HD12 LEU 641 2HD1 LEU 641 2.761 12.002 -39.899 371 HD13 LEU 641 3HD1 LEU 641 4.345 12.371 -39.184 372 HD21 LEU 641 1HD2 LEU 641 2.165 13.073 -42.157 373 HD22 LEU 641 2HD2 LEU 641 3.751 12.621 -42.820 374 HD23 LEU 641 3HD2 LEU 641 3.238 14.321 -42.836 375 H SER 642 H SER 642 2.414 17.295 -38.650 376 HA SER 642 HA SER 642 4.657 19.050 -39.428 377 HB2 SER 642 1HB SER 642 1.832 19.836 -38.666 378 HB3 SER 642 2HB SER 642 2.979 20.715 -39.698 379 HG SER 642 HG SER 642 1.184 18.791 -40.334 380 H SER 643 H SER 643 4.049 17.759 -36.446 381 HA SER 643 HA SER 643 4.791 20.317 -35.113 382 HB2 SER 643 1HB SER 643 2.476 18.592 -34.193 383 HB3 SER 643 2HB SER 643 3.073 20.068 -33.411 384 HG SER 643 HG SER 643 2.659 20.691 -35.928 385 H GLU 644 H GLU 644 5.396 20.203 -32.911 386 HA GLU 644 HA GLU 644 7.292 18.150 -32.331 387 HB2 GLU 644 1HB GLU 644 7.580 19.382 -30.252 388 HB3 GLU 644 2HB GLU 644 7.354 20.542 -31.574 389 HG2 GLU 644 1HG GLU 644 4.945 20.757 -30.950 390 HG3 GLU 644 2HG GLU 644 5.207 19.639 -29.607 391 H TRP 645 H TRP 645 7.403 16.832 -30.388 392 HA TRP 645 HA TRP 645 4.970 15.415 -29.661 393 HB2 TRP 645 1HB TRP 645 7.828 15.449 -28.622 394 HB3 TRP 645 2HB TRP 645 6.547 14.584 -27.774 395 HD1 TRP 645 HD1 TRP 645 8.903 14.202 -30.690 396 HE1 TRP 645 HE1 TRP 645 8.657 11.916 -31.765 397 HE3 TRP 645 HE3 TRP 645 4.556 12.823 -28.395 398 HZ2 TRP 645 HZ2 TRP 645 6.831 9.733 -31.620 399 HZ3 TRP 645 HZ3 TRP 645 3.574 10.584 -28.937 400 HH2 TRP 645 HH2 TRP 645 4.731 9.059 -30.527 401 H LYS 646 H LYS 646 3.456 16.336 -28.373 402 HA LYS 646 HA LYS 646 4.182 18.486 -26.522 403 HB2 LYS 646 1HB LYS 646 1.629 16.830 -26.609 404 HB3 LYS 646 2HB LYS 646 1.849 18.390 -25.807 405 HG2 LYS 646 1HG LYS 646 1.918 17.861 -28.804 406 HG3 LYS 646 2HG LYS 646 0.618 18.654 -27.912 407 HD2 LYS 646 1HD LYS 646 2.132 20.515 -27.316 408 HD3 LYS 646 2HD LYS 646 3.454 19.728 -28.194 409 HE2 LYS 646 1HE LYS 646 0.846 20.705 -29.407 410 HE3 LYS 646 2HE LYS 646 2.439 21.482 -29.558 411 HZ1 LYS 646 1HZ LYS 646 1.696 18.804 -30.597 412 HZ2 LYS 646 2HZ LYS 646 3.218 19.427 -30.655 413 HZ3 LYS 646 3HZ LYS 646 1.994 20.153 -31.497 414 HA PRO 647 HA PRO 647 5.629 15.498 -23.696 415 HB2 PRO 647 1HB PRO 647 6.119 16.955 -21.466 416 HB3 PRO 647 2HB PRO 647 7.013 17.226 -22.998 417 HG2 PRO 647 1HG PRO 647 4.639 18.730 -21.904 418 HG3 PRO 647 2HG PRO 647 6.183 19.375 -22.544 419 HD2 PRO 647 1HD PRO 647 3.892 19.186 -24.057 420 HD3 PRO 647 2HD PRO 647 5.546 19.032 -24.756 421 H GLU 648 H GLU 648 2.826 17.368 -22.470 422 HA GLU 648 HA GLU 648 1.905 14.993 -20.983 423 HB2 GLU 648 1HB GLU 648 3.373 16.167 -19.362 424 HB3 GLU 648 2HB GLU 648 2.549 17.688 -19.688 425 HG2 GLU 648 1HG GLU 648 0.640 15.647 -18.789 426 HG3 GLU 648 2HG GLU 648 1.965 15.826 -17.649 427 H ILE 649 H ILE 649 -0.296 14.922 -20.939 428 HA ILE 649 HA ILE 649 -1.722 17.513 -20.892 429 HB ILE 649 HB ILE 649 -2.714 14.975 -22.276 430 HG12 ILE 649 1HG1 ILE 649 -1.059 16.244 -23.642 431 HG13 ILE 649 2HG1 ILE 649 -2.657 16.153 -24.363 432 HG21 ILE 649 1HG2 ILE 649 -4.090 17.650 -21.788 433 HG22 ILE 649 2HG2 ILE 649 -4.713 16.383 -22.875 434 HG23 ILE 649 3HG2 ILE 649 -4.547 16.063 -21.138 435 HD11 ILE 649 1HD1 ILE 649 -1.554 18.404 -24.621 436 HD12 ILE 649 2HD1 ILE 649 -3.135 18.486 -23.820 437 HD13 ILE 649 3HD1 ILE 649 -1.639 18.616 -22.864 438 H ARG 650 H ARG 650 -2.254 17.581 -18.903 439 HA ARG 650 HA ARG 650 -2.309 15.463 -16.980 440 HB2 ARG 650 1HB ARG 650 -3.201 17.194 -15.492 441 HB3 ARG 650 2HB ARG 650 -1.914 17.883 -16.486 442 HG2 ARG 650 1HG ARG 650 -3.871 18.665 -18.101 443 HG3 ARG 650 2HG ARG 650 -5.017 18.296 -16.792 444 HD2 ARG 650 1HD ARG 650 -4.253 20.716 -16.820 445 HD3 ARG 650 2HD ARG 650 -3.675 19.914 -15.336 446 HE ARG 650 HE ARG 650 -1.671 19.576 -17.310 447 HH11 ARG 650 1HH1 ARG 650 -3.049 22.288 -15.507 448 HH12 ARG 650 2HH1 ARG 650 -1.560 23.190 -15.575 449 HH21 ARG 650 1HH2 ARG 650 0.154 20.732 -17.336 450 HH22 ARG 650 2HH2 ARG 650 0.235 22.325 -16.618 451 H LEU 651 H LEU 651 -4.091 14.240 -16.195 452 HA LEU 651 HA LEU 651 -6.581 15.670 -16.306 453 HB2 LEU 651 1HB LEU 651 -6.232 13.303 -18.008 454 HB3 LEU 651 2HB LEU 651 -7.673 13.291 -17.007 455 HG LEU 651 HG LEU 651 -8.661 14.331 -18.706 456 HD11 LEU 651 1HD1 LEU 651 -8.475 16.879 -18.932 457 HD12 LEU 651 2HD1 LEU 651 -7.128 16.917 -17.734 458 HD13 LEU 651 3HD1 LEU 651 -8.780 16.330 -17.285 459 HD21 LEU 651 1HD2 LEU 651 -7.696 14.900 -20.678 460 HD22 LEU 651 2HD2 LEU 651 -6.336 13.979 -19.993 461 HD23 LEU 651 3HD2 LEU 651 -6.335 15.754 -19.930 462 HA PRO 652 HA PRO 652 -6.917 13.879 -12.372 463 HB2 PRO 652 1HB PRO 652 -9.565 13.953 -11.785 464 HB3 PRO 652 2HB PRO 652 -8.625 15.471 -11.994 465 HG2 PRO 652 1HG PRO 652 -10.327 14.013 -14.002 466 HG3 PRO 652 2HG PRO 652 -10.411 15.728 -13.513 467 HD2 PRO 652 1HD PRO 652 -9.063 14.939 -15.710 468 HD3 PRO 652 2HD PRO 652 -8.436 16.265 -14.672 469 H SER 653 H SER 653 -7.694 11.992 -11.186 470 HA SER 653 HA SER 653 -7.407 9.611 -12.491 471 HB2 SER 653 1HB SER 653 -9.192 9.789 -10.089 472 HB3 SER 653 2HB SER 653 -7.847 8.671 -10.424 473 HG SER 653 HG SER 653 -6.445 10.135 -9.758 474 H GLY 654 H GLY 654 -10.508 11.294 -12.227 475 HA2 GLY 654 1HA GLY 654 -11.914 8.795 -12.975 476 HA3 GLY 654 2HA GLY 654 -12.644 10.236 -12.292 477 H SER 655 H SER 655 -10.485 10.918 -14.954 478 HA SER 655 HA SER 655 -12.845 11.747 -16.486 479 HB2 SER 655 1HB SER 655 -10.698 13.071 -16.420 480 HB3 SER 655 2HB SER 655 -9.938 11.784 -17.374 481 HG SER 655 HG SER 655 -10.885 12.569 -19.093 482 H ASP 656 H ASP 656 -13.860 10.525 -18.050 483 HA ASP 656 HA ASP 656 -12.954 7.790 -18.514 484 HB2 ASP 656 1HB ASP 656 -15.372 9.283 -18.732 485 HB3 ASP 656 2HB ASP 656 -15.025 8.640 -20.343 486 H HIS 657 H HIS 657 -12.405 10.806 -20.072 487 HA HIS 657 HA HIS 657 -10.989 9.472 -22.269 488 HB2 HIS 657 1HB HIS 657 -12.220 10.823 -23.993 489 HB3 HIS 657 2HB HIS 657 -13.176 9.546 -23.238 490 HD1 HIS 657 HD1 HIS 657 -12.632 13.076 -21.823 491 HD2 HIS 657 HD2 HIS 657 -15.643 10.607 -23.284 492 HE1 HIS 657 HE1 HIS 657 -14.814 14.295 -21.458 493 H VAL 658 H VAL 658 -9.906 11.049 -23.704 494 HA VAL 658 HA VAL 658 -9.416 13.689 -22.410 495 HB VAL 658 HB VAL 658 -7.474 12.491 -21.691 496 HG11 VAL 658 1HG1 VAL 658 -6.077 11.094 -23.199 497 HG12 VAL 658 2HG1 VAL 658 -7.704 10.437 -22.962 498 HG13 VAL 658 3HG1 VAL 658 -7.299 11.285 -24.469 499 HG21 VAL 658 1HG2 VAL 658 -6.583 13.717 -24.334 500 HG22 VAL 658 2HG2 VAL 658 -7.040 14.682 -22.912 501 HG23 VAL 658 3HG2 VAL 658 -5.657 13.582 -22.824 502 H MET 659 H MET 659 -9.461 15.307 -23.857 503 HA MET 659 HA MET 659 -9.845 14.557 -26.716 504 HB2 MET 659 1HB MET 659 -11.371 16.124 -25.034 505 HB3 MET 659 2HB MET 659 -10.368 17.339 -25.835 506 HG2 MET 659 1HG MET 659 -11.966 15.233 -27.314 507 HG3 MET 659 2HG MET 659 -12.597 16.841 -26.916 508 HE1 MET 659 1HE MET 659 -12.029 17.229 -30.707 509 HE2 MET 659 2HE MET 659 -12.052 15.538 -30.176 510 HE3 MET 659 3HE MET 659 -13.163 16.726 -29.440 511 H LEU 660 H LEU 660 -8.285 15.103 -28.139 512 HA LEU 660 HA LEU 660 -6.085 16.913 -27.162 513 HB2 LEU 660 1HB LEU 660 -5.978 14.638 -29.173 514 HB3 LEU 660 2HB LEU 660 -4.628 15.667 -28.709 515 HG LEU 660 HG LEU 660 -6.035 13.660 -26.916 516 HD11 LEU 660 1HD1 LEU 660 -4.684 12.717 -28.756 517 HD12 LEU 660 2HD1 LEU 660 -3.972 12.403 -27.166 518 HD13 LEU 660 3HD1 LEU 660 -3.285 13.670 -28.205 519 HD21 LEU 660 1HD2 LEU 660 -3.598 15.420 -26.417 520 HD22 LEU 660 2HD2 LEU 660 -4.161 14.114 -25.354 521 HD23 LEU 660 3HD2 LEU 660 -5.171 15.545 -25.596 522 H LYS 661 H LYS 661 -5.298 18.416 -28.683 523 HA LYS 661 HA LYS 661 -6.498 18.465 -31.361 524 HB2 LYS 661 1HB LYS 661 -7.389 20.706 -31.193 525 HB3 LYS 661 2HB LYS 661 -8.188 19.639 -30.044 526 HG2 LYS 661 1HG LYS 661 -6.823 20.587 -28.208 527 HG3 LYS 661 2HG LYS 661 -6.083 21.714 -29.371 528 HD2 LYS 661 1HD LYS 661 -8.333 22.561 -29.946 529 HD3 LYS 661 2HD LYS 661 -9.038 21.468 -28.731 530 HE2 LYS 661 1HE LYS 661 -7.684 22.545 -26.987 531 HE3 LYS 661 2HE LYS 661 -7.001 23.646 -28.204 532 HZ1 LYS 661 1HZ LYS 661 -9.248 24.477 -28.619 533 HZ2 LYS 661 2HZ LYS 661 -8.868 24.667 -27.026 534 HZ3 LYS 661 3HZ LYS 661 -9.883 23.453 -27.495 535 H SER 662 H SER 662 -5.620 20.722 -32.359 536 HA SER 662 HA SER 662 -3.734 21.739 -33.200 537 HB2 SER 662 1HB SER 662 -3.450 22.548 -30.807 538 HB3 SER 662 2HB SER 662 -2.342 21.184 -30.554 539 HG SER 662 HG SER 662 -1.103 22.007 -32.320 540 H LEU 663 H LEU 663 -4.241 19.381 -34.060 541 HA LEU 663 HA LEU 663 -1.631 18.023 -34.373 542 HB2 LEU 663 1HB LEU 663 -2.841 15.832 -34.231 543 HB3 LEU 663 2HB LEU 663 -2.734 16.701 -32.711 544 HG LEU 663 HG LEU 663 -5.184 17.504 -33.254 545 HD11 LEU 663 1HD1 LEU 663 -6.450 15.610 -34.371 546 HD12 LEU 663 2HD1 LEU 663 -4.891 15.087 -35.034 547 HD13 LEU 663 3HD1 LEU 663 -5.534 16.678 -35.447 548 HD21 LEU 663 1HD2 LEU 663 -4.453 16.086 -31.371 549 HD22 LEU 663 2HD2 LEU 663 -4.500 14.654 -32.428 550 HD23 LEU 663 3HD2 LEU 663 -5.999 15.527 -32.039 551 H ASP 664 H ASP 664 -1.681 16.725 -36.419 552 HA ASP 664 HA ASP 664 -2.918 18.257 -38.528 553 HB2 ASP 664 1HB ASP 664 -1.424 15.615 -38.460 554 HB3 ASP 664 2HB ASP 664 -2.086 16.307 -39.949 555 H TRP 665 H TRP 665 -4.610 17.694 -39.890 556 HA TRP 665 HA TRP 665 -6.285 15.410 -38.924 557 HB2 TRP 665 1HB TRP 665 -8.104 16.819 -40.216 558 HB3 TRP 665 2HB TRP 665 -7.660 17.190 -38.547 559 HD1 TRP 665 HD1 TRP 665 -6.074 19.386 -38.155 560 HE1 TRP 665 HE1 TRP 665 -5.778 21.539 -39.450 561 HE3 TRP 665 HE3 TRP 665 -8.088 17.804 -42.584 562 HZ2 TRP 665 HZ2 TRP 665 -6.287 22.464 -42.107 563 HZ3 TRP 665 HZ3 TRP 665 -8.150 19.407 -44.509 564 HH2 TRP 665 HH2 TRP 665 -7.251 21.715 -44.257 565 H ASN 666 H ASN 666 -5.021 17.136 -41.768 566 HA ASN 666 HA ASN 666 -6.094 15.070 -43.592 567 HB2 ASN 666 1HB ASN 666 -5.154 16.508 -45.340 568 HB3 ASN 666 2HB ASN 666 -6.139 17.466 -44.231 569 HD21 ASN 666 1HD2 ASN 666 -2.407 18.552 -44.943 570 HD22 ASN 666 2HD2 ASN 666 -3.350 17.447 -45.919 571 H ALA 667 H ALA 667 -3.663 14.976 -41.497 572 HA ALA 667 HA ALA 667 -2.012 13.215 -43.199 573 HB1 ALA 667 1HB ALA 667 0.088 14.304 -42.446 574 HB2 ALA 667 2HB ALA 667 -0.895 15.455 -43.378 575 HB3 ALA 667 3HB ALA 667 -0.841 15.560 -41.605 576 H GLU 668 H GLU 668 -0.525 11.967 -41.673 577 HA GLU 668 HA GLU 668 -2.188 11.183 -39.410 578 HB2 GLU 668 1HB GLU 668 -0.137 9.550 -39.107 579 HB3 GLU 668 2HB GLU 668 -1.364 9.274 -40.329 580 HG2 GLU 668 1HG GLU 668 1.017 10.860 -41.187 581 HG3 GLU 668 2HG GLU 668 1.271 9.150 -40.814 582 H TYR 669 H TYR 669 -1.603 10.891 -37.322 583 HA TYR 669 HA TYR 669 0.835 12.216 -36.303 584 HB2 TYR 669 1HB TYR 669 -0.495 13.411 -34.598 585 HB3 TYR 669 2HB TYR 669 -0.912 13.961 -36.224 586 HD1 TYR 669 HD1 TYR 669 -3.075 13.323 -37.254 587 HD2 TYR 669 HD2 TYR 669 -2.097 12.246 -33.204 588 HE1 TYR 669 HE1 TYR 669 -5.458 12.857 -36.801 589 HE2 TYR 669 HE2 TYR 669 -4.500 11.786 -32.757 590 HH TYR 669 HH TYR 669 -6.991 12.324 -35.258 591 H GLU 670 H GLU 670 1.217 11.475 -34.062 592 HA GLU 670 HA GLU 670 -0.117 8.838 -33.554 593 HB2 GLU 670 1HB GLU 670 2.053 8.025 -32.734 594 HB3 GLU 670 2HB GLU 670 2.127 8.488 -34.440 595 HG2 GLU 670 1HG GLU 670 3.131 10.673 -33.757 596 HG3 GLU 670 2HG GLU 670 3.172 10.095 -32.095 597 H VAL 671 H VAL 671 -0.595 8.319 -31.463 598 HA VAL 671 HA VAL 671 -0.112 10.464 -29.415 599 HB VAL 671 HB VAL 671 -2.614 8.769 -29.842 600 HG11 VAL 671 1HG1 VAL 671 -2.009 10.913 -27.769 601 HG12 VAL 671 2HG1 VAL 671 -3.609 10.193 -28.047 602 HG13 VAL 671 3HG1 VAL 671 -2.282 9.180 -27.465 603 HG21 VAL 671 1HG2 VAL 671 -2.501 10.513 -31.539 604 HG22 VAL 671 2HG2 VAL 671 -3.759 10.914 -30.359 605 HG23 VAL 671 3HG2 VAL 671 -2.192 11.746 -30.298 606 H TYR 672 H TYR 672 0.832 9.703 -27.591 607 HA TYR 672 HA TYR 672 0.507 6.786 -26.921 608 HB2 TYR 672 1HB TYR 672 2.818 8.718 -26.512 609 HB3 TYR 672 2HB TYR 672 2.614 7.282 -25.501 610 HD1 TYR 672 HD1 TYR 672 3.398 5.180 -26.204 611 HD2 TYR 672 HD2 TYR 672 2.928 8.350 -29.064 612 HE1 TYR 672 HE1 TYR 672 4.443 3.744 -27.944 613 HE2 TYR 672 HE2 TYR 672 4.041 6.918 -30.816 614 HH TYR 672 HH TYR 672 5.065 3.561 -30.140 615 H VAL 673 H VAL 673 -0.207 6.387 -24.810 616 HA VAL 673 HA VAL 673 -0.451 8.744 -23.017 617 HB VAL 673 HB VAL 673 -2.580 8.807 -24.070 618 HG11 VAL 673 1HG1 VAL 673 -2.583 5.789 -23.911 619 HG12 VAL 673 2HG1 VAL 673 -4.070 6.722 -24.197 620 HG13 VAL 673 3HG1 VAL 673 -2.715 6.833 -25.338 621 HG21 VAL 673 1HG2 VAL 673 -4.164 8.304 -22.304 622 HG22 VAL 673 2HG2 VAL 673 -3.024 7.181 -21.541 623 HG23 VAL 673 3HG2 VAL 673 -2.659 8.912 -21.584 624 H VAL 674 H VAL 674 -0.085 8.290 -20.931 625 HA VAL 674 HA VAL 674 -0.174 5.442 -20.059 626 HB VAL 674 HB VAL 674 1.909 5.788 -18.704 627 HG11 VAL 674 1HG1 VAL 674 2.091 4.610 -20.800 628 HG12 VAL 674 2HG1 VAL 674 2.262 6.133 -21.705 629 HG13 VAL 674 3HG1 VAL 674 3.534 5.611 -20.568 630 HG21 VAL 674 1HG2 VAL 674 1.900 8.255 -18.591 631 HG22 VAL 674 2HG2 VAL 674 3.440 7.647 -19.228 632 HG23 VAL 674 3HG2 VAL 674 2.241 8.346 -20.335 633 H ALA 675 H ALA 675 -0.309 5.225 -17.751 634 HA ALA 675 HA ALA 675 -1.617 7.570 -16.415 635 HB1 ALA 675 1HB ALA 675 -2.990 5.506 -16.892 636 HB2 ALA 675 2HB ALA 675 -1.918 4.636 -15.775 637 HB3 ALA 675 3HB ALA 675 -2.884 6.000 -15.193 638 H GLU 676 H GLU 676 -0.960 8.008 -14.266 639 HA GLU 676 HA GLU 676 1.431 6.476 -13.283 640 HB2 GLU 676 1HB GLU 676 2.119 8.691 -14.135 641 HB3 GLU 676 2HB GLU 676 0.877 9.469 -13.161 642 HG2 GLU 676 1HG GLU 676 2.684 7.773 -11.581 643 HG3 GLU 676 2HG GLU 676 3.513 9.083 -12.437 644 H ASN 677 H ASN 677 0.635 5.315 -11.591 645 HA ASN 677 HA ASN 677 -1.405 6.685 -9.916 646 HB2 ASN 677 1HB ASN 677 -2.426 4.731 -9.485 647 HB3 ASN 677 2HB ASN 677 -1.658 4.217 -10.975 648 HD21 ASN 677 1HD2 ASN 677 -1.133 1.896 -7.995 649 HD22 ASN 677 2HD2 ASN 677 -2.545 2.823 -8.476 650 H GLN 678 H GLN 678 -1.145 5.974 -7.540 651 HA GLN 678 HA GLN 678 1.141 7.398 -6.678 652 HB2 GLN 678 1HB GLN 678 -1.152 7.263 -5.755 653 HB3 GLN 678 2HB GLN 678 -0.793 5.612 -5.187 654 HG2 GLN 678 1HG GLN 678 1.020 6.599 -3.724 655 HG3 GLN 678 2HG GLN 678 0.439 8.203 -4.200 656 HE21 GLN 678 1HE2 GLN 678 -1.698 8.067 -1.431 657 HE22 GLN 678 2HE2 GLN 678 -0.393 8.881 -2.259 658 H GLN 679 H GLN 679 1.220 4.224 -7.747 659 HA GLN 679 HA GLN 679 3.528 3.578 -5.940 660 HB2 GLN 679 1HB GLN 679 1.146 2.040 -6.691 661 HB3 GLN 679 2HB GLN 679 2.651 1.202 -7.064 662 HG2 GLN 679 1HG GLN 679 2.294 0.493 -4.930 663 HG3 GLN 679 2HG GLN 679 3.378 1.849 -4.664 664 HE21 GLN 679 1HE2 GLN 679 -0.166 3.465 -3.822 665 HE22 GLN 679 2HE2 GLN 679 0.536 3.324 -5.418 666 H GLY 680 H GLY 680 2.292 3.641 -9.296 667 HA2 GLY 680 1HA GLY 680 4.955 3.686 -10.366 668 HA3 GLY 680 2HA GLY 680 4.250 2.067 -10.537 669 H LYS 681 H LYS 681 4.659 2.873 -12.911 670 HA LYS 681 HA LYS 681 2.275 4.449 -13.803 671 HB2 LYS 681 1HB LYS 681 4.964 4.110 -15.166 672 HB3 LYS 681 2HB LYS 681 3.570 4.981 -15.822 673 HG2 LYS 681 1HG LYS 681 3.863 6.139 -13.333 674 HG3 LYS 681 2HG LYS 681 5.542 5.829 -13.802 675 HD2 LYS 681 1HD LYS 681 3.485 7.292 -15.508 676 HD3 LYS 681 2HD LYS 681 4.693 8.081 -14.478 677 HE2 LYS 681 1HE LYS 681 6.493 6.939 -15.792 678 HE3 LYS 681 2HE LYS 681 5.242 6.308 -16.888 679 HZ1 LYS 681 1HZ LYS 681 4.610 8.593 -17.380 680 HZ2 LYS 681 2HZ LYS 681 6.210 8.373 -17.717 681 HZ3 LYS 681 3HZ LYS 681 5.758 9.182 -16.353 682 H SER 682 H SER 682 1.305 3.922 -15.798 683 HA SER 682 HA SER 682 0.906 1.032 -15.994 684 HB2 SER 682 1HB SER 682 -0.958 1.583 -17.343 685 HB3 SER 682 2HB SER 682 -0.878 2.897 -16.185 686 HG SER 682 HG SER 682 -0.108 2.897 -18.908 687 H LYS 683 H LYS 683 0.703 0.037 -18.189 688 HA LYS 683 HA LYS 683 3.101 0.503 -19.795 689 HB2 LYS 683 1HB LYS 683 0.722 -1.307 -19.904 690 HB3 LYS 683 2HB LYS 683 1.501 -0.922 -21.445 691 HG2 LYS 683 1HG LYS 683 3.698 -1.604 -20.384 692 HG3 LYS 683 2HG LYS 683 2.741 -2.266 -19.041 693 HD2 LYS 683 1HD LYS 683 2.509 -3.067 -21.977 694 HD3 LYS 683 2HD LYS 683 3.306 -4.000 -20.696 695 HE2 LYS 683 1HE LYS 683 1.077 -3.967 -19.470 696 HE3 LYS 683 2HE LYS 683 0.354 -3.354 -20.965 697 HZ1 LYS 683 1HZ LYS 683 1.153 -5.343 -22.098 698 HZ2 LYS 683 2HZ LYS 683 0.182 -5.759 -20.831 699 HZ3 LYS 683 3HZ LYS 683 1.819 -5.921 -20.704 700 H ALA 684 H ALA 684 2.951 1.119 -22.054 701 HA ALA 684 HA ALA 684 1.192 3.469 -22.333 702 HB1 ALA 684 1HB ALA 684 3.429 2.404 -24.125 703 HB2 ALA 684 2HB ALA 684 2.629 3.987 -24.267 704 HB3 ALA 684 3HB ALA 684 3.636 3.626 -22.846 705 H ALA 685 H ALA 685 -0.213 3.797 -24.043 706 HA ALA 685 HA ALA 685 -0.662 1.491 -25.895 707 HB1 ALA 685 1HB ALA 685 -3.065 1.926 -25.837 708 HB2 ALA 685 2HB ALA 685 -2.536 1.661 -24.161 709 HB3 ALA 685 3HB ALA 685 -2.837 3.313 -24.753 710 H HIS 686 H HIS 686 -0.880 2.264 -28.036 711 HA HIS 686 HA HIS 686 -0.894 5.178 -28.403 712 HB2 HIS 686 1HB HIS 686 1.022 5.042 -29.953 713 HB3 HIS 686 2HB HIS 686 1.423 4.656 -28.281 714 HD1 HIS 686 HD1 HIS 686 1.219 3.056 -31.683 715 HD2 HIS 686 HD2 HIS 686 2.215 2.044 -27.777 716 HE1 HIS 686 HE1 HIS 686 2.349 0.799 -31.782 717 H PHE 687 H PHE 687 -1.540 5.933 -30.415 718 HA PHE 687 HA PHE 687 -2.297 3.916 -32.420 719 HB2 PHE 687 1HB PHE 687 -4.576 4.274 -32.451 720 HB3 PHE 687 2HB PHE 687 -4.223 4.264 -30.721 721 HD1 PHE 687 HD1 PHE 687 -3.971 6.554 -29.526 722 HD2 PHE 687 HD2 PHE 687 -5.664 6.092 -33.456 723 HE1 PHE 687 HE1 PHE 687 -5.128 8.758 -29.291 724 HE2 PHE 687 HE2 PHE 687 -6.815 8.274 -33.224 725 HZ PHE 687 HZ PHE 687 -6.569 9.609 -31.136 726 H VAL 688 H VAL 688 -2.904 4.871 -34.465 727 HA VAL 688 HA VAL 688 -1.812 7.627 -34.863 728 HB VAL 688 HB VAL 688 -1.421 5.148 -36.635 729 HG11 VAL 688 1HG1 VAL 688 0.035 6.600 -38.023 730 HG12 VAL 688 2HG1 VAL 688 -1.631 7.202 -37.993 731 HG13 VAL 688 3HG1 VAL 688 -0.379 7.995 -37.007 732 HG21 VAL 688 1HG2 VAL 688 1.010 5.441 -36.113 733 HG22 VAL 688 2HG2 VAL 688 0.582 6.715 -34.950 734 HG23 VAL 688 3HG2 VAL 688 0.046 5.041 -34.679 735 H PHE 689 H PHE 689 -3.118 8.888 -36.232 736 HA PHE 689 HA PHE 689 -5.332 7.532 -37.674 737 HB2 PHE 689 1HB PHE 689 -6.190 7.949 -35.400 738 HB3 PHE 689 2HB PHE 689 -5.725 9.648 -35.521 739 HD1 PHE 689 HD1 PHE 689 -7.096 11.241 -36.709 740 HD2 PHE 689 HD2 PHE 689 -8.070 7.054 -36.787 741 HE1 PHE 689 HE1 PHE 689 -9.313 11.791 -37.670 742 HE2 PHE 689 HE2 PHE 689 -10.287 7.592 -37.790 743 HZ PHE 689 HZ PHE 689 -10.912 9.966 -38.234 744 H ARG 690 H ARG 690 -6.393 8.908 -39.217 745 HA ARG 690 HA ARG 690 -5.590 11.685 -39.570 746 HB2 ARG 690 1HB ARG 690 -5.254 10.853 -42.179 747 HB3 ARG 690 2HB ARG 690 -3.999 11.406 -41.096 748 HG2 ARG 690 1HG ARG 690 -3.036 9.542 -41.901 749 HG3 ARG 690 2HG ARG 690 -3.767 8.866 -40.454 750 HD2 ARG 690 1HD ARG 690 -5.637 7.999 -41.783 751 HD3 ARG 690 2HD ARG 690 -4.993 8.800 -43.233 752 HE ARG 690 HE ARG 690 -4.052 6.323 -42.028 753 HH11 ARG 690 1HH1 ARG 690 -3.108 8.998 -44.136 754 HH12 ARG 690 2HH1 ARG 690 -1.797 8.097 -44.838 755 HH21 ARG 690 1HH2 ARG 690 -2.379 5.230 -43.015 756 HH22 ARG 690 2HH2 ARG 690 -1.399 6.020 -44.220 757 H THR 691 H THR 691 -7.004 12.646 -41.234 758 HA THR 691 HA THR 691 -9.330 10.995 -42.043 759 HB THR 691 HB THR 691 -9.910 11.860 -39.772 760 HG1 THR 691 HG1 THR 691 -11.872 12.768 -40.397 761 HG21 THR 691 1HG2 THR 691 -10.280 14.287 -39.432 762 HG22 THR 691 2HG2 THR 691 -9.517 14.617 -41.002 763 HG23 THR 691 3HG2 THR 691 -8.565 13.898 -39.687 764 H HIS 692 H HIS 692 -10.844 13.249 -42.922 765 HA HIS 692 HA HIS 692 -11.065 14.600 -44.753 766 HB2 HIS 692 1HB HIS 692 -9.371 15.865 -43.194 767 HB3 HIS 692 2HB HIS 692 -8.212 15.514 -44.478 768 HD1 HIS 692 HD1 HIS 692 -9.082 16.407 -46.978 769 HD2 HIS 692 HD2 HIS 692 -10.841 18.087 -43.608 770 HE1 HIS 692 HE1 HIS 692 -10.158 18.564 -47.723 771 H HIS 693 H HIS 693 -10.312 11.922 -45.227 772 HA HIS 693 HA HIS 693 -8.279 11.740 -47.249 773 HB2 HIS 693 1HB HIS 693 -10.700 9.960 -46.763 774 HB3 HIS 693 2HB HIS 693 -9.252 9.533 -47.684 775 HD1 HIS 693 HD1 HIS 693 -10.675 9.056 -44.418 776 HD2 HIS 693 HD2 HIS 693 -6.841 9.771 -45.862 777 HE1 HIS 693 HE1 HIS 693 -9.066 8.331 -42.606 778 H HIS 694 H HIS 694 -8.511 11.721 -49.510 779 HA HIS 694 HA HIS 694 -10.695 13.318 -50.564 780 HB2 HIS 694 1HB HIS 694 -9.595 12.874 -52.747 781 HB3 HIS 694 2HB HIS 694 -8.470 13.491 -51.531 782 HD1 HIS 694 HD1 HIS 694 -6.424 12.056 -51.009 783 HD2 HIS 694 HD2 HIS 694 -9.293 10.047 -53.254 784 HE1 HIS 694 HE1 HIS 694 -5.399 9.848 -51.694 785 H HIS 695 H HIS 695 -10.264 9.970 -49.904 786 HA HIS 695 HA HIS 695 -12.070 9.026 -51.991 787 HB2 HIS 695 1HB HIS 695 -10.182 7.722 -50.737 788 HB3 HIS 695 2HB HIS 695 -11.382 7.531 -49.451 789 HD1 HIS 695 HD1 HIS 695 -13.846 6.513 -50.614 790 HD2 HIS 695 HD2 HIS 695 -10.203 5.683 -52.442 791 HE1 HIS 695 HE1 HIS 695 -14.219 4.508 -52.101 792 H HIS 696 H HIS 696 -14.261 8.898 -51.812 793 HA HIS 696 HA HIS 696 -15.478 9.838 -49.246 794 HB2 HIS 696 1HB HIS 696 -16.328 10.036 -52.153 795 HB3 HIS 696 2HB HIS 696 -17.461 10.297 -50.824 796 HD1 HIS 696 HD1 HIS 696 -14.000 11.726 -51.761 797 HD2 HIS 696 HD2 HIS 696 -17.661 12.856 -50.141 798 HE1 HIS 696 HE1 HIS 696 -13.863 14.206 -51.313 799 H HIS 697 H HIS 697 -17.869 8.944 -49.110 800 HA HIS 697 HA HIS 697 -18.159 6.168 -50.044 801 HB2 HIS 697 1HB HIS 697 -16.815 6.051 -47.884 802 HB3 HIS 697 2HB HIS 697 -18.133 6.917 -47.083 803 HD1 HIS 697 HD1 HIS 697 -17.480 4.200 -45.940 804 HD2 HIS 697 HD2 HIS 697 -20.187 4.706 -49.085 805 HE1 HIS 697 HE1 HIS 697 -18.999 2.162 -45.926 Start of MODEL 17 1 H1 MET 595 1H MET 595 3.848 0.533 -0.027 2 H2 MET 595 2H MET 595 2.767 -0.712 -0.016 3 H3 MET 595 3H MET 595 4.387 -1.022 0.061 4 HA MET 595 HA MET 595 2.996 0.220 -2.198 5 HB2 MET 595 1HB MET 595 5.025 0.152 -3.421 6 HB3 MET 595 2HB MET 595 5.352 0.944 -1.883 7 HG2 MET 595 1HG MET 595 6.087 -1.922 -2.595 8 HG3 MET 595 2HG MET 595 7.187 -0.539 -2.578 9 HE1 MET 595 1HE MET 595 8.510 -2.440 0.561 10 HE2 MET 595 2HE MET 595 8.084 -3.048 -1.055 11 HE3 MET 595 3HE MET 595 8.970 -1.513 -0.885 12 H GLN 596 H GLN 596 4.387 -2.875 -0.893 13 HA GLN 596 HA GLN 596 3.986 -4.384 -3.207 14 HB2 GLN 596 1HB GLN 596 3.777 -5.182 -0.299 15 HB3 GLN 596 2HB GLN 596 3.802 -6.335 -1.636 16 HG2 GLN 596 1HG GLN 596 6.023 -6.201 -1.863 17 HG3 GLN 596 2HG GLN 596 6.018 -4.433 -1.806 18 HE21 GLN 596 1HE2 GLN 596 7.370 -6.446 1.326 19 HE22 GLN 596 2HE2 GLN 596 7.178 -7.100 -0.283 20 HA PRO 597 HA PRO 597 -0.256 -5.805 -2.092 21 HB2 PRO 597 1HB PRO 597 -2.081 -4.357 -0.722 22 HB3 PRO 597 2HB PRO 597 -0.844 -5.348 0.117 23 HG2 PRO 597 1HG PRO 597 -0.798 -2.413 -0.507 24 HG3 PRO 597 2HG PRO 597 -0.544 -3.234 1.065 25 HD2 PRO 597 1HD PRO 597 1.525 -2.467 -0.511 26 HD3 PRO 597 2HD PRO 597 1.595 -3.971 0.469 27 H VAL 598 H VAL 598 0.560 -2.772 -3.387 28 HA VAL 598 HA VAL 598 -1.949 -2.764 -4.991 29 HB VAL 598 HB VAL 598 -2.370 -0.764 -3.981 30 HG11 VAL 598 1HG1 VAL 598 0.581 -0.488 -3.350 31 HG12 VAL 598 2HG1 VAL 598 -0.661 0.701 -2.901 32 HG13 VAL 598 3HG1 VAL 598 -0.737 -0.934 -2.235 33 HG21 VAL 598 1HG2 VAL 598 -1.833 -0.068 -6.286 34 HG22 VAL 598 2HG2 VAL 598 -1.437 1.209 -5.128 35 HG23 VAL 598 3HG2 VAL 598 -0.147 0.206 -5.826 36 H ARG 599 H ARG 599 -1.646 -3.036 -7.089 37 HA ARG 599 HA ARG 599 1.154 -3.146 -8.081 38 HB2 ARG 599 1HB ARG 599 0.076 -4.363 -10.004 39 HB3 ARG 599 2HB ARG 599 -0.168 -5.145 -8.434 40 HG2 ARG 599 1HG ARG 599 -2.421 -4.180 -8.276 41 HG3 ARG 599 2HG ARG 599 -2.197 -3.387 -9.841 42 HD2 ARG 599 1HD ARG 599 -2.143 -5.499 -10.976 43 HD3 ARG 599 2HD ARG 599 -2.087 -6.387 -9.431 44 HE ARG 599 HE ARG 599 -4.367 -4.826 -9.230 45 HH11 ARG 599 1HH1 ARG 599 -3.338 -7.279 -11.555 46 HH12 ARG 599 2HH1 ARG 599 -4.982 -7.723 -11.930 47 HH21 ARG 599 1HH2 ARG 599 -6.390 -5.424 -9.751 48 HH22 ARG 599 2HH2 ARG 599 -6.690 -6.688 -10.918 49 H GLU 600 H GLU 600 1.542 -2.350 -10.288 50 HA GLU 600 HA GLU 600 0.764 0.392 -10.555 51 HB2 GLU 600 1HB GLU 600 2.125 -1.566 -12.446 52 HB3 GLU 600 2HB GLU 600 1.913 0.152 -12.791 53 HG2 GLU 600 1HG GLU 600 3.169 0.673 -10.699 54 HG3 GLU 600 2HG GLU 600 3.520 -1.051 -10.527 55 HA PRO 601 HA PRO 601 -2.939 -0.081 -12.872 56 HB2 PRO 601 1HB PRO 601 -2.893 2.066 -14.593 57 HB3 PRO 601 2HB PRO 601 -3.203 2.204 -12.840 58 HG2 PRO 601 1HG PRO 601 -0.664 2.643 -14.328 59 HG3 PRO 601 2HG PRO 601 -1.420 3.652 -13.072 60 HD2 PRO 601 1HD PRO 601 0.611 1.952 -12.565 61 HD3 PRO 601 2HD PRO 601 -0.703 2.255 -11.381 62 H SER 602 H SER 602 -3.866 -0.683 -14.836 63 HA SER 602 HA SER 602 -2.095 -2.076 -16.653 64 HB2 SER 602 1HB SER 602 -3.988 -3.103 -17.513 65 HB3 SER 602 2HB SER 602 -4.464 -2.798 -15.833 66 HG SER 602 HG SER 602 -5.370 -0.733 -16.789 67 H ALA 603 H ALA 603 -2.102 -1.734 -18.993 68 HA ALA 603 HA ALA 603 -1.496 0.887 -19.729 69 HB1 ALA 603 1HB ALA 603 -1.538 0.092 -22.032 70 HB2 ALA 603 2HB ALA 603 -0.910 -1.216 -21.006 71 HB3 ALA 603 3HB ALA 603 -2.591 -1.274 -21.588 72 HA PRO 604 HA PRO 604 -5.389 2.851 -19.978 73 HB2 PRO 604 1HB PRO 604 -4.943 4.844 -21.819 74 HB3 PRO 604 2HB PRO 604 -4.255 4.865 -20.164 75 HG2 PRO 604 1HG PRO 604 -3.024 3.955 -22.697 76 HG3 PRO 604 2HG PRO 604 -2.389 5.071 -21.460 77 HD2 PRO 604 1HD PRO 604 -1.636 2.518 -21.542 78 HD3 PRO 604 2HD PRO 604 -1.926 3.351 -19.973 79 H LYS 605 H LYS 605 -7.229 3.315 -21.258 80 HA LYS 605 HA LYS 605 -7.551 1.208 -23.312 81 HB2 LYS 605 1HB LYS 605 -9.281 2.821 -21.495 82 HB3 LYS 605 2HB LYS 605 -9.995 2.379 -23.043 83 HG2 LYS 605 1HG LYS 605 -10.546 0.742 -21.247 84 HG3 LYS 605 2HG LYS 605 -9.700 0.014 -22.614 85 HD2 LYS 605 1HD LYS 605 -8.814 -0.968 -20.599 86 HD3 LYS 605 2HD LYS 605 -7.557 0.057 -21.290 87 HE2 LYS 605 1HE LYS 605 -8.180 1.854 -19.642 88 HE3 LYS 605 2HE LYS 605 -9.347 0.728 -18.914 89 HZ1 LYS 605 1HZ LYS 605 -6.414 0.262 -19.136 90 HZ2 LYS 605 2HZ LYS 605 -7.496 -0.776 -18.452 91 HZ3 LYS 605 3HZ LYS 605 -7.208 0.684 -17.747 92 H LEU 606 H LEU 606 -8.434 1.625 -25.421 93 HA LEU 606 HA LEU 606 -8.389 4.442 -26.288 94 HB2 LEU 606 1HB LEU 606 -6.074 3.580 -26.538 95 HB3 LEU 606 2HB LEU 606 -6.666 2.267 -27.536 96 HG LEU 606 HG LEU 606 -5.499 4.274 -28.632 97 HD11 LEU 606 1HD1 LEU 606 -6.616 2.523 -29.930 98 HD12 LEU 606 2HD1 LEU 606 -6.842 4.119 -30.675 99 HD13 LEU 606 3HD1 LEU 606 -8.167 3.363 -29.768 100 HD21 LEU 606 1HD2 LEU 606 -6.940 6.143 -29.291 101 HD22 LEU 606 2HD2 LEU 606 -6.738 6.057 -27.531 102 HD23 LEU 606 3HD2 LEU 606 -8.247 5.513 -28.287 103 H GLU 607 H GLU 607 -10.274 4.684 -27.265 104 HA GLU 607 HA GLU 607 -11.385 2.366 -28.776 105 HB2 GLU 607 1HB GLU 607 -12.953 4.794 -27.928 106 HB3 GLU 607 2HB GLU 607 -13.541 3.189 -28.362 107 HG2 GLU 607 1HG GLU 607 -12.129 4.056 -25.830 108 HG3 GLU 607 2HG GLU 607 -13.775 3.445 -25.981 109 H GLY 608 H GLY 608 -9.764 5.264 -29.250 110 HA2 GLY 608 1HA GLY 608 -9.282 6.467 -31.146 111 HA3 GLY 608 2HA GLY 608 -9.808 5.038 -32.028 112 H GLN 609 H GLN 609 -11.799 7.309 -30.067 113 HA GLN 609 HA GLN 609 -13.749 7.316 -32.232 114 HB2 GLN 609 1HB GLN 609 -13.613 8.792 -29.595 115 HB3 GLN 609 2HB GLN 609 -15.012 8.796 -30.678 116 HG2 GLN 609 1HG GLN 609 -13.825 6.319 -29.365 117 HG3 GLN 609 2HG GLN 609 -15.259 7.186 -28.793 118 HE21 GLN 609 1HE2 GLN 609 -15.604 4.360 -31.573 119 HE22 GLN 609 2HE2 GLN 609 -14.159 4.633 -30.622 120 H MET 610 H MET 610 -13.500 8.503 -33.942 121 HA MET 610 HA MET 610 -11.559 10.484 -34.290 122 HB2 MET 610 1HB MET 610 -12.665 10.983 -36.390 123 HB3 MET 610 2HB MET 610 -12.570 9.246 -36.126 124 HG2 MET 610 1HG MET 610 -15.073 10.893 -35.606 125 HG3 MET 610 2HG MET 610 -14.728 10.079 -37.133 126 HE1 MET 610 1HE MET 610 -15.088 6.281 -36.295 127 HE2 MET 610 2HE MET 610 -14.896 7.508 -37.569 128 HE3 MET 610 3HE MET 610 -13.569 7.197 -36.421 129 H GLY 611 H GLY 611 -11.508 12.681 -34.438 130 HA2 GLY 611 1HA GLY 611 -13.481 14.035 -32.733 131 HA3 GLY 611 2HA GLY 611 -11.968 14.702 -33.344 132 H GLU 612 H GLU 612 -15.344 14.227 -33.901 133 HA GLU 612 HA GLU 612 -15.534 15.184 -36.597 134 HB2 GLU 612 1HB GLU 612 -17.272 13.983 -35.182 135 HB3 GLU 612 2HB GLU 612 -17.546 15.511 -34.340 136 HG2 GLU 612 1HG GLU 612 -18.274 16.553 -36.436 137 HG3 GLU 612 2HG GLU 612 -17.912 15.060 -37.322 138 H ASP 613 H ASP 613 -14.726 16.618 -33.613 139 HA ASP 613 HA ASP 613 -15.503 19.331 -33.898 140 HB2 ASP 613 1HB ASP 613 -12.789 18.565 -32.813 141 HB3 ASP 613 2HB ASP 613 -13.928 19.741 -32.174 142 H GLY 614 H GLY 614 -13.112 17.408 -35.540 143 HA2 GLY 614 1HA GLY 614 -11.720 17.968 -37.313 144 HA3 GLY 614 2HA GLY 614 -12.245 19.663 -37.193 145 H ASN 615 H ASN 615 -9.485 18.346 -37.357 146 HA ASN 615 HA ASN 615 -7.383 18.692 -36.481 147 HB2 ASN 615 1HB ASN 615 -8.592 21.077 -36.663 148 HB3 ASN 615 2HB ASN 615 -8.405 21.056 -34.907 149 HD21 ASN 615 1HD2 ASN 615 -4.846 21.252 -35.076 150 HD22 ASN 615 2HD2 ASN 615 -6.160 20.525 -34.165 151 H SER 616 H SER 616 -9.357 17.020 -34.955 152 HA SER 616 HA SER 616 -8.064 16.992 -32.295 153 HB2 SER 616 1HB SER 616 -11.069 17.209 -32.635 154 HB3 SER 616 2HB SER 616 -10.140 17.261 -31.127 155 HG SER 616 HG SER 616 -10.236 19.186 -33.212 156 H ILE 617 H ILE 617 -8.914 15.199 -30.877 157 HA ILE 617 HA ILE 617 -10.597 13.137 -32.081 158 HB ILE 617 HB ILE 617 -8.325 12.632 -33.043 159 HG12 ILE 617 1HG1 ILE 617 -9.052 10.342 -31.251 160 HG13 ILE 617 2HG1 ILE 617 -10.286 10.989 -32.327 161 HG21 ILE 617 1HG2 ILE 617 -7.586 11.876 -30.173 162 HG22 ILE 617 2HG2 ILE 617 -6.580 11.645 -31.617 163 HG23 ILE 617 3HG2 ILE 617 -6.953 13.283 -31.051 164 HD11 ILE 617 1HD1 ILE 617 -9.116 9.066 -33.276 165 HD12 ILE 617 2HD1 ILE 617 -8.959 10.537 -34.260 166 HD13 ILE 617 3HD1 ILE 617 -7.603 10.000 -33.246 167 H LYS 618 H LYS 618 -11.217 11.447 -30.518 168 HA LYS 618 HA LYS 618 -10.722 12.311 -27.680 169 HB2 LYS 618 1HB LYS 618 -12.941 10.546 -28.768 170 HB3 LYS 618 2HB LYS 618 -12.780 11.137 -27.125 171 HG2 LYS 618 1HG LYS 618 -14.353 12.597 -27.846 172 HG3 LYS 618 2HG LYS 618 -12.931 13.505 -28.375 173 HD2 LYS 618 1HD LYS 618 -13.262 12.943 -30.638 174 HD3 LYS 618 2HD LYS 618 -14.187 11.484 -30.241 175 HE2 LYS 618 1HE LYS 618 -15.682 13.163 -31.177 176 HE3 LYS 618 2HE LYS 618 -16.080 12.888 -29.475 177 HZ1 LYS 618 1HZ LYS 618 -14.638 15.230 -30.599 178 HZ2 LYS 618 2HZ LYS 618 -14.788 14.948 -28.979 179 HZ3 LYS 618 3HZ LYS 618 -16.126 15.219 -29.902 180 H VAL 619 H VAL 619 -9.569 10.929 -26.423 181 HA VAL 619 HA VAL 619 -9.397 8.068 -27.299 182 HB VAL 619 HB VAL 619 -7.179 8.283 -27.659 183 HG11 VAL 619 1HG1 VAL 619 -7.304 11.062 -26.406 184 HG12 VAL 619 2HG1 VAL 619 -5.890 10.376 -27.226 185 HG13 VAL 619 3HG1 VAL 619 -7.384 10.653 -28.136 186 HG21 VAL 619 1HG2 VAL 619 -6.964 9.007 -24.704 187 HG22 VAL 619 2HG2 VAL 619 -6.997 7.365 -25.390 188 HG23 VAL 619 3HG2 VAL 619 -5.635 8.450 -25.743 189 H ASN 620 H ASN 620 -9.428 6.583 -25.490 190 HA ASN 620 HA ASN 620 -11.022 7.755 -23.333 191 HB2 ASN 620 1HB ASN 620 -10.614 5.063 -24.471 192 HB3 ASN 620 2HB ASN 620 -10.838 5.111 -22.718 193 HD21 ASN 620 1HD2 ASN 620 -13.884 6.515 -25.087 194 HD22 ASN 620 2HD2 ASN 620 -12.230 6.654 -25.633 195 H LEU 621 H LEU 621 -10.756 7.402 -21.154 196 HA LEU 621 HA LEU 621 -7.964 6.924 -20.316 197 HB2 LEU 621 1HB LEU 621 -9.203 9.372 -20.366 198 HB3 LEU 621 2HB LEU 621 -9.443 8.838 -18.710 199 HG LEU 621 HG LEU 621 -7.050 8.593 -18.399 200 HD11 LEU 621 1HD1 LEU 621 -5.465 9.506 -20.156 201 HD12 LEU 621 2HD1 LEU 621 -6.802 9.379 -21.318 202 HD13 LEU 621 3HD1 LEU 621 -6.174 7.926 -20.525 203 HD21 LEU 621 1HD2 LEU 621 -6.481 11.033 -18.688 204 HD22 LEU 621 2HD2 LEU 621 -8.090 10.765 -17.996 205 HD23 LEU 621 3HD2 LEU 621 -7.923 11.214 -19.710 206 H ILE 622 H ILE 622 -7.680 6.163 -18.184 207 HA ILE 622 HA ILE 622 -9.419 4.052 -17.453 208 HB ILE 622 HB ILE 622 -7.296 5.585 -15.898 209 HG12 ILE 622 1HG1 ILE 622 -6.130 3.301 -16.137 210 HG13 ILE 622 2HG1 ILE 622 -7.314 2.966 -17.398 211 HG21 ILE 622 1HG2 ILE 622 -7.291 3.671 -14.322 212 HG22 ILE 622 2HG2 ILE 622 -8.751 4.659 -14.242 213 HG23 ILE 622 3HG2 ILE 622 -8.774 3.089 -15.085 214 HD11 ILE 622 1HD1 ILE 622 -6.405 4.610 -18.816 215 HD12 ILE 622 2HD1 ILE 622 -5.539 5.407 -17.488 216 HD13 ILE 622 3HD1 ILE 622 -4.998 3.824 -18.064 217 H LYS 623 H LYS 623 -11.190 3.936 -16.215 218 HA LYS 623 HA LYS 623 -12.243 6.417 -14.970 219 HB2 LYS 623 1HB LYS 623 -13.825 3.987 -15.803 220 HB3 LYS 623 2HB LYS 623 -14.428 5.624 -15.541 221 HG2 LYS 623 1HG LYS 623 -13.528 6.374 -17.630 222 HG3 LYS 623 2HG LYS 623 -12.526 4.924 -17.812 223 HD2 LYS 623 1HD LYS 623 -14.544 3.548 -17.816 224 HD3 LYS 623 2HD LYS 623 -15.489 5.054 -18.009 225 HE2 LYS 623 1HE LYS 623 -13.159 4.186 -19.749 226 HE3 LYS 623 2HE LYS 623 -14.869 3.964 -20.194 227 HZ1 LYS 623 1HZ LYS 623 -14.097 5.928 -21.238 228 HZ2 LYS 623 2HZ LYS 623 -13.404 6.514 -19.858 229 HZ3 LYS 623 3HZ LYS 623 -15.045 6.450 -19.979 230 H GLN 624 H GLN 624 -11.002 3.411 -14.204 231 HA GLN 624 HA GLN 624 -12.389 3.295 -11.580 232 HB2 GLN 624 1HB GLN 624 -12.826 0.908 -11.874 233 HB3 GLN 624 2HB GLN 624 -13.640 1.824 -13.141 234 HG2 GLN 624 1HG GLN 624 -10.947 0.459 -13.574 235 HG3 GLN 624 2HG GLN 624 -12.487 -0.354 -13.854 236 HE21 GLN 624 1HE2 GLN 624 -10.905 1.933 -16.719 237 HE22 GLN 624 2HE2 GLN 624 -10.062 1.492 -15.246 238 H ASP 625 H ASP 625 -11.252 1.467 -10.202 239 HA ASP 625 HA ASP 625 -8.432 1.976 -10.142 240 HB2 ASP 625 1HB ASP 625 -10.234 -0.069 -8.823 241 HB3 ASP 625 2HB ASP 625 -8.472 -0.222 -8.720 242 H ASP 626 H ASP 626 -7.143 1.451 -11.733 243 HA ASP 626 HA ASP 626 -7.719 -0.764 -13.541 244 HB2 ASP 626 1HB ASP 626 -6.289 1.726 -13.543 245 HB3 ASP 626 2HB ASP 626 -5.146 0.437 -13.973 246 H GLY 627 H GLY 627 -6.275 -0.767 -10.572 247 HA2 GLY 627 1HA GLY 627 -4.952 -3.273 -11.101 248 HA3 GLY 627 2HA GLY 627 -3.779 -1.970 -10.877 249 H GLY 628 H GLY 628 -3.454 -1.093 -8.876 250 HA2 GLY 628 1HA GLY 628 -4.522 -2.697 -6.659 251 HA3 GLY 628 2HA GLY 628 -2.991 -1.829 -6.658 252 H SER 629 H SER 629 -4.605 0.598 -7.836 253 HA SER 629 HA SER 629 -6.213 1.405 -5.532 254 HB2 SER 629 1HB SER 629 -4.700 3.150 -4.770 255 HB3 SER 629 2HB SER 629 -3.738 1.658 -4.815 256 HG SER 629 HG SER 629 -3.818 3.746 -6.762 257 HA PRO 630 HA PRO 630 -7.496 4.038 -8.855 258 HB2 PRO 630 1HB PRO 630 -7.942 6.520 -7.804 259 HB3 PRO 630 2HB PRO 630 -9.019 5.127 -7.465 260 HG2 PRO 630 1HG PRO 630 -6.734 6.178 -5.822 261 HG3 PRO 630 2HG PRO 630 -8.427 5.852 -5.325 262 HD2 PRO 630 1HD PRO 630 -6.504 4.058 -4.870 263 HD3 PRO 630 2HD PRO 630 -8.128 3.525 -5.426 264 H ILE 631 H ILE 631 -6.841 5.878 -10.169 265 HA ILE 631 HA ILE 631 -3.955 6.075 -10.330 266 HB ILE 631 HB ILE 631 -6.353 6.835 -11.980 267 HG12 ILE 631 1HG1 ILE 631 -4.915 5.859 -13.782 268 HG13 ILE 631 2HG1 ILE 631 -3.628 5.618 -12.600 269 HG21 ILE 631 1HG2 ILE 631 -4.992 8.185 -13.552 270 HG22 ILE 631 2HG2 ILE 631 -5.183 8.990 -12.002 271 HG23 ILE 631 3HG2 ILE 631 -3.659 8.178 -12.421 272 HD11 ILE 631 1HD1 ILE 631 -4.886 3.935 -11.439 273 HD12 ILE 631 2HD1 ILE 631 -6.378 4.352 -12.317 274 HD13 ILE 631 3HD1 ILE 631 -5.028 3.579 -13.173 275 H ARG 632 H ARG 632 -2.739 8.086 -10.344 276 HA ARG 632 HA ARG 632 -3.893 10.162 -8.520 277 HB2 ARG 632 1HB ARG 632 -1.134 9.240 -9.263 278 HB3 ARG 632 2HB ARG 632 -1.367 10.948 -8.933 279 HG2 ARG 632 1HG ARG 632 -2.464 10.140 -6.695 280 HG3 ARG 632 2HG ARG 632 -1.613 8.607 -7.020 281 HD2 ARG 632 1HD ARG 632 -0.130 9.978 -5.697 282 HD3 ARG 632 2HD ARG 632 0.495 9.974 -7.357 283 HE ARG 632 HE ARG 632 -0.167 12.208 -7.642 284 HH11 ARG 632 1HH1 ARG 632 -1.082 11.108 -4.393 285 HH12 ARG 632 2HH1 ARG 632 -1.401 12.739 -3.857 286 HH21 ARG 632 1HH2 ARG 632 -0.618 14.216 -6.892 287 HH22 ARG 632 2HH2 ARG 632 -1.122 14.469 -5.239 288 H HIS 633 H HIS 633 -1.953 9.820 -11.553 289 HA HIS 633 HA HIS 633 -3.388 12.194 -12.665 290 HB2 HIS 633 1HB HIS 633 -0.401 11.802 -12.991 291 HB3 HIS 633 2HB HIS 633 -1.356 13.241 -13.356 292 HD1 HIS 633 HD1 HIS 633 1.060 12.184 -11.034 293 HD2 HIS 633 HD2 HIS 633 -2.592 14.124 -10.618 294 HE1 HIS 633 HE1 HIS 633 1.143 13.384 -8.832 295 H TYR 634 H TYR 634 -3.031 12.436 -15.042 296 HA TYR 634 HA TYR 634 -2.156 9.904 -16.402 297 HB2 TYR 634 1HB TYR 634 -4.302 11.859 -17.285 298 HB3 TYR 634 2HB TYR 634 -3.718 10.481 -18.222 299 HD1 TYR 634 HD1 TYR 634 -6.139 11.606 -15.867 300 HD2 TYR 634 HD2 TYR 634 -3.943 8.135 -17.126 301 HE1 TYR 634 HE1 TYR 634 -7.818 10.148 -14.768 302 HE2 TYR 634 HE2 TYR 634 -5.597 6.694 -15.946 303 HH TYR 634 HH TYR 634 -8.506 8.043 -14.356 304 H LEU 635 H LEU 635 -0.905 10.199 -18.224 305 HA LEU 635 HA LEU 635 -0.066 13.010 -18.795 306 HB2 LEU 635 1HB LEU 635 1.729 10.579 -18.685 307 HB3 LEU 635 2HB LEU 635 2.235 12.224 -18.978 308 HG LEU 635 HG LEU 635 1.054 11.220 -16.359 309 HD11 LEU 635 1HD1 LEU 635 3.193 10.107 -16.880 310 HD12 LEU 635 2HD1 LEU 635 3.327 11.195 -15.484 311 HD13 LEU 635 3HD1 LEU 635 3.969 11.700 -17.072 312 HD21 LEU 635 1HD2 LEU 635 2.579 13.784 -16.951 313 HD22 LEU 635 2HD2 LEU 635 1.937 13.268 -15.377 314 HD23 LEU 635 3HD2 LEU 635 0.822 13.668 -16.698 315 H VAL 636 H VAL 636 -0.273 13.468 -20.944 316 HA VAL 636 HA VAL 636 -0.333 11.161 -22.869 317 HB VAL 636 HB VAL 636 -1.919 13.739 -23.244 318 HG11 VAL 636 1HG1 VAL 636 -1.517 12.513 -25.309 319 HG12 VAL 636 2HG1 VAL 636 -2.063 10.997 -24.558 320 HG13 VAL 636 3HG1 VAL 636 -3.219 12.313 -24.848 321 HG21 VAL 636 1HG2 VAL 636 -3.957 12.414 -22.578 322 HG22 VAL 636 2HG2 VAL 636 -2.874 11.134 -21.992 323 HG23 VAL 636 3HG2 VAL 636 -2.849 12.742 -21.233 324 H ARG 637 H ARG 637 0.802 11.452 -24.807 325 HA ARG 637 HA ARG 637 2.114 14.111 -25.261 326 HB2 ARG 637 1HB ARG 637 3.640 12.758 -23.891 327 HB3 ARG 637 2HB ARG 637 3.493 11.401 -25.008 328 HG2 ARG 637 1HG ARG 637 4.653 12.569 -26.718 329 HG3 ARG 637 2HG ARG 637 4.617 14.088 -25.810 330 HD2 ARG 637 1HD ARG 637 6.012 11.575 -24.816 331 HD3 ARG 637 2HD ARG 637 6.822 12.837 -25.763 332 HE ARG 637 HE ARG 637 6.501 14.405 -23.983 333 HH11 ARG 637 1HH1 ARG 637 5.554 11.129 -22.988 334 HH12 ARG 637 2HH1 ARG 637 5.611 11.569 -21.294 335 HH21 ARG 637 1HH2 ARG 637 6.585 14.807 -21.842 336 HH22 ARG 637 2HH2 ARG 637 6.192 13.565 -20.664 337 H TYR 638 H TYR 638 2.067 14.573 -27.478 338 HA TYR 638 HA TYR 638 1.768 12.313 -29.350 339 HB2 TYR 638 1HB TYR 638 -0.227 13.239 -30.421 340 HB3 TYR 638 2HB TYR 638 -0.535 12.785 -28.743 341 HD1 TYR 638 HD1 TYR 638 -0.943 15.322 -31.207 342 HD2 TYR 638 HD2 TYR 638 -0.427 14.780 -26.963 343 HE1 TYR 638 HE1 TYR 638 -1.971 17.557 -30.779 344 HE2 TYR 638 HE2 TYR 638 -1.427 17.027 -26.571 345 HH TYR 638 HH TYR 638 -2.836 18.971 -29.171 346 H ARG 639 H ARG 639 1.925 12.893 -31.589 347 HA ARG 639 HA ARG 639 3.158 15.520 -32.234 348 HB2 ARG 639 1HB ARG 639 5.068 14.318 -31.458 349 HB3 ARG 639 2HB ARG 639 4.599 12.850 -32.226 350 HG2 ARG 639 1HG ARG 639 5.108 15.070 -34.069 351 HG3 ARG 639 2HG ARG 639 6.503 14.541 -33.131 352 HD2 ARG 639 1HD ARG 639 6.400 12.354 -33.964 353 HD3 ARG 639 2HD ARG 639 4.715 12.533 -34.488 354 HE ARG 639 HE ARG 639 6.190 14.417 -35.943 355 HH11 ARG 639 1HH1 ARG 639 6.028 10.879 -35.689 356 HH12 ARG 639 2HH1 ARG 639 6.580 10.665 -37.337 357 HH21 ARG 639 1HH2 ARG 639 6.856 14.056 -38.015 358 HH22 ARG 639 2HH2 ARG 639 7.039 12.433 -38.630 359 H ALA 640 H ALA 640 3.293 15.726 -34.599 360 HA ALA 640 HA ALA 640 1.698 13.696 -36.075 361 HB1 ALA 640 1HB ALA 640 0.334 15.714 -35.311 362 HB2 ALA 640 2HB ALA 640 1.341 16.671 -36.425 363 HB3 ALA 640 3HB ALA 640 0.344 15.345 -37.046 364 H LEU 641 H LEU 641 1.915 14.118 -38.540 365 HA LEU 641 HA LEU 641 4.687 14.056 -39.165 366 HB2 LEU 641 1HB LEU 641 2.261 14.618 -40.891 367 HB3 LEU 641 2HB LEU 641 3.890 14.492 -41.543 368 HG LEU 641 HG LEU 641 2.400 12.259 -40.129 369 HD11 LEU 641 1HD1 LEU 641 2.244 11.255 -42.357 370 HD12 LEU 641 2HD1 LEU 641 3.095 12.651 -43.066 371 HD13 LEU 641 3HD1 LEU 641 1.482 12.860 -42.352 372 HD21 LEU 641 1HD2 LEU 641 4.240 10.820 -41.026 373 HD22 LEU 641 2HD2 LEU 641 4.779 11.962 -39.785 374 HD23 LEU 641 3HD2 LEU 641 5.115 12.296 -41.501 375 H SER 642 H SER 642 2.366 16.758 -39.233 376 HA SER 642 HA SER 642 4.531 18.576 -40.155 377 HB2 SER 642 1HB SER 642 1.712 19.452 -39.606 378 HB3 SER 642 2HB SER 642 2.849 20.003 -40.856 379 HG SER 642 HG SER 642 1.288 17.639 -40.738 380 H SER 643 H SER 643 3.805 17.433 -37.188 381 HA SER 643 HA SER 643 4.165 20.116 -35.921 382 HB2 SER 643 1HB SER 643 2.209 17.978 -35.022 383 HB3 SER 643 2HB SER 643 2.577 19.473 -34.154 384 HG SER 643 HG SER 643 1.312 19.197 -36.687 385 H GLU 644 H GLU 644 4.954 20.169 -33.804 386 HA GLU 644 HA GLU 644 7.110 18.360 -33.256 387 HB2 GLU 644 1HB GLU 644 7.391 19.739 -31.262 388 HB3 GLU 644 2HB GLU 644 6.994 20.789 -32.634 389 HG2 GLU 644 1HG GLU 644 4.620 20.875 -31.884 390 HG3 GLU 644 2HG GLU 644 5.013 19.828 -30.518 391 H TRP 645 H TRP 645 7.448 17.088 -31.317 392 HA TRP 645 HA TRP 645 5.203 15.700 -30.140 393 HB2 TRP 645 1HB TRP 645 8.123 16.071 -29.355 394 HB3 TRP 645 2HB TRP 645 6.969 15.255 -28.297 395 HD1 TRP 645 HD1 TRP 645 9.230 14.571 -31.197 396 HE1 TRP 645 HE1 TRP 645 9.002 12.170 -32.013 397 HE3 TRP 645 HE3 TRP 645 4.994 13.358 -28.614 398 HZ2 TRP 645 HZ2 TRP 645 7.195 9.993 -31.617 399 HZ3 TRP 645 HZ3 TRP 645 4.040 11.052 -28.875 400 HH2 TRP 645 HH2 TRP 645 5.149 9.399 -30.379 401 H LYS 646 H LYS 646 3.759 16.645 -28.863 402 HA LYS 646 HA LYS 646 4.256 19.256 -27.684 403 HB2 LYS 646 1HB LYS 646 2.097 17.189 -27.059 404 HB3 LYS 646 2HB LYS 646 2.070 18.888 -26.566 405 HG2 LYS 646 1HG LYS 646 2.009 17.864 -29.428 406 HG3 LYS 646 2HG LYS 646 0.625 18.470 -28.519 407 HD2 LYS 646 1HD LYS 646 1.638 20.701 -28.373 408 HD3 LYS 646 2HD LYS 646 3.081 20.124 -29.223 409 HE2 LYS 646 1HE LYS 646 0.275 20.130 -30.386 410 HE3 LYS 646 2HE LYS 646 1.535 21.343 -30.717 411 HZ1 LYS 646 1HZ LYS 646 2.926 19.539 -31.582 412 HZ2 LYS 646 2HZ LYS 646 1.513 19.666 -32.430 413 HZ3 LYS 646 3HZ LYS 646 1.719 18.451 -31.332 414 HA PRO 647 HA PRO 647 6.570 17.969 -24.283 415 HB2 PRO 647 1HB PRO 647 5.667 19.491 -22.144 416 HB3 PRO 647 2HB PRO 647 6.689 20.117 -23.476 417 HG2 PRO 647 1HG PRO 647 3.691 20.267 -23.185 418 HG3 PRO 647 2HG PRO 647 4.857 21.568 -23.589 419 HD2 PRO 647 1HD PRO 647 3.463 20.322 -25.509 420 HD3 PRO 647 2HD PRO 647 5.198 20.744 -25.762 421 H GLU 648 H GLU 648 3.525 18.523 -22.403 422 HA GLU 648 HA GLU 648 2.909 15.691 -22.383 423 HB2 GLU 648 1HB GLU 648 4.793 16.062 -20.634 424 HB3 GLU 648 2HB GLU 648 3.572 16.910 -19.685 425 HG2 GLU 648 1HG GLU 648 2.350 14.964 -19.291 426 HG3 GLU 648 2HG GLU 648 2.960 14.167 -20.751 427 H ILE 649 H ILE 649 0.699 15.451 -21.798 428 HA ILE 649 HA ILE 649 -0.677 18.029 -21.168 429 HB ILE 649 HB ILE 649 -1.923 15.489 -22.267 430 HG12 ILE 649 1HG1 ILE 649 -0.329 16.272 -23.935 431 HG13 ILE 649 2HG1 ILE 649 -1.980 16.540 -24.473 432 HG21 ILE 649 1HG2 ILE 649 -2.967 18.354 -22.081 433 HG22 ILE 649 2HG2 ILE 649 -3.808 17.006 -22.884 434 HG23 ILE 649 3HG2 ILE 649 -3.521 16.955 -21.136 435 HD11 ILE 649 1HD1 ILE 649 -1.791 18.959 -23.969 436 HD12 ILE 649 2HD1 ILE 649 -0.146 18.714 -23.337 437 HD13 ILE 649 3HD1 ILE 649 -0.488 18.443 -25.055 438 H ARG 650 H ARG 650 -1.350 18.245 -19.213 439 HA ARG 650 HA ARG 650 -1.270 16.242 -17.159 440 HB2 ARG 650 1HB ARG 650 -2.258 17.946 -15.761 441 HB3 ARG 650 2HB ARG 650 -1.231 18.831 -16.894 442 HG2 ARG 650 1HG ARG 650 -3.374 19.198 -18.351 443 HG3 ARG 650 2HG ARG 650 -4.358 18.536 -17.037 444 HD2 ARG 650 1HD ARG 650 -3.561 20.353 -15.528 445 HD3 ARG 650 2HD ARG 650 -2.487 20.974 -16.795 446 HE ARG 650 HE ARG 650 -4.299 21.894 -17.923 447 HH11 ARG 650 1HH1 ARG 650 -5.540 19.928 -15.261 448 HH12 ARG 650 2HH1 ARG 650 -7.154 20.565 -15.428 449 HH21 ARG 650 1HH2 ARG 650 -6.380 22.639 -18.082 450 HH22 ARG 650 2HH2 ARG 650 -7.618 22.067 -16.997 451 H LEU 651 H LEU 651 -2.961 14.845 -16.399 452 HA LEU 651 HA LEU 651 -5.555 16.036 -16.662 453 HB2 LEU 651 1HB LEU 651 -4.976 13.681 -18.301 454 HB3 LEU 651 2HB LEU 651 -6.409 13.523 -17.300 455 HG LEU 651 HG LEU 651 -7.503 14.418 -19.013 456 HD11 LEU 651 1HD1 LEU 651 -7.836 16.448 -17.733 457 HD12 LEU 651 2HD1 LEU 651 -7.496 16.960 -19.387 458 HD13 LEU 651 3HD1 LEU 651 -6.217 17.135 -18.136 459 HD21 LEU 651 1HD2 LEU 651 -4.976 15.675 -20.136 460 HD22 LEU 651 2HD2 LEU 651 -6.511 15.406 -20.969 461 HD23 LEU 651 3HD2 LEU 651 -5.525 14.021 -20.460 462 HA PRO 652 HA PRO 652 -5.629 14.400 -12.639 463 HB2 PRO 652 1HB PRO 652 -8.174 14.882 -11.844 464 HB3 PRO 652 2HB PRO 652 -7.056 16.243 -12.195 465 HG2 PRO 652 1HG PRO 652 -9.107 14.965 -13.998 466 HG3 PRO 652 2HG PRO 652 -8.925 16.693 -13.578 467 HD2 PRO 652 1HD PRO 652 -7.868 15.671 -15.840 468 HD3 PRO 652 2HD PRO 652 -6.999 16.931 -14.904 469 H SER 653 H SER 653 -6.588 12.676 -11.328 470 HA SER 653 HA SER 653 -7.002 10.264 -12.642 471 HB2 SER 653 1HB SER 653 -6.405 10.622 -10.252 472 HB3 SER 653 2HB SER 653 -8.092 11.059 -9.922 473 HG SER 653 HG SER 653 -7.163 8.724 -9.743 474 H GLY 654 H GLY 654 -9.469 12.672 -11.825 475 HA2 GLY 654 1HA GLY 654 -11.657 10.808 -12.249 476 HA3 GLY 654 2HA GLY 654 -11.782 12.533 -11.921 477 H SER 655 H SER 655 -9.714 11.977 -14.620 478 HA SER 655 HA SER 655 -11.867 12.942 -16.384 479 HB2 SER 655 1HB SER 655 -8.907 12.427 -16.820 480 HB3 SER 655 2HB SER 655 -10.012 12.955 -18.107 481 HG SER 655 HG SER 655 -10.534 14.755 -16.757 482 H ASP 656 H ASP 656 -13.209 11.568 -17.315 483 HA ASP 656 HA ASP 656 -12.820 8.688 -17.465 484 HB2 ASP 656 1HB ASP 656 -15.024 9.720 -17.178 485 HB3 ASP 656 2HB ASP 656 -14.819 10.687 -18.645 486 H HIS 657 H HIS 657 -12.336 11.382 -19.728 487 HA HIS 657 HA HIS 657 -10.898 9.630 -21.569 488 HB2 HIS 657 1HB HIS 657 -12.228 10.323 -23.543 489 HB3 HIS 657 2HB HIS 657 -13.145 9.298 -22.437 490 HD1 HIS 657 HD1 HIS 657 -15.217 10.320 -21.290 491 HD2 HIS 657 HD2 HIS 657 -13.099 13.017 -23.639 492 HE1 HIS 657 HE1 HIS 657 -16.674 12.363 -21.535 493 H VAL 658 H VAL 658 -10.008 11.076 -23.395 494 HA VAL 658 HA VAL 658 -9.629 13.848 -22.346 495 HB VAL 658 HB VAL 658 -7.586 12.873 -21.707 496 HG11 VAL 658 1HG1 VAL 658 -7.824 10.677 -22.705 497 HG12 VAL 658 2HG1 VAL 658 -7.564 11.347 -24.325 498 HG13 VAL 658 3HG1 VAL 658 -6.244 11.349 -23.139 499 HG21 VAL 658 1HG2 VAL 658 -5.879 13.818 -23.152 500 HG22 VAL 658 2HG2 VAL 658 -6.990 13.839 -24.538 501 HG23 VAL 658 3HG2 VAL 658 -7.279 14.910 -23.146 502 H MET 659 H MET 659 -10.036 15.358 -23.698 503 HA MET 659 HA MET 659 -10.552 14.736 -26.542 504 HB2 MET 659 1HB MET 659 -12.172 16.067 -25.153 505 HB3 MET 659 2HB MET 659 -10.921 17.288 -24.908 506 HG2 MET 659 1HG MET 659 -12.310 18.120 -26.626 507 HG3 MET 659 2HG MET 659 -10.849 17.531 -27.445 508 HE1 MET 659 1HE MET 659 -12.330 15.498 -30.094 509 HE2 MET 659 2HE MET 659 -11.944 17.206 -29.804 510 HE3 MET 659 3HE MET 659 -10.834 15.934 -29.233 511 H LEU 660 H LEU 660 -8.592 14.653 -27.655 512 HA LEU 660 HA LEU 660 -6.542 16.720 -27.021 513 HB2 LEU 660 1HB LEU 660 -6.560 14.355 -28.926 514 HB3 LEU 660 2HB LEU 660 -5.253 15.525 -28.824 515 HG LEU 660 HG LEU 660 -6.079 13.583 -26.650 516 HD11 LEU 660 1HD1 LEU 660 -4.913 12.611 -28.580 517 HD12 LEU 660 2HD1 LEU 660 -3.888 12.604 -27.132 518 HD13 LEU 660 3HD1 LEU 660 -3.609 13.812 -28.406 519 HD21 LEU 660 1HD2 LEU 660 -3.872 15.700 -26.693 520 HD22 LEU 660 2HD2 LEU 660 -4.009 14.405 -25.484 521 HD23 LEU 660 3HD2 LEU 660 -5.268 15.645 -25.590 522 H LYS 661 H LYS 661 -6.046 18.366 -28.370 523 HA LYS 661 HA LYS 661 -7.435 18.548 -31.001 524 HB2 LYS 661 1HB LYS 661 -7.270 20.858 -29.016 525 HB3 LYS 661 2HB LYS 661 -8.067 20.850 -30.595 526 HG2 LYS 661 1HG LYS 661 -9.574 18.962 -29.577 527 HG3 LYS 661 2HG LYS 661 -8.942 19.503 -28.017 528 HD2 LYS 661 1HD LYS 661 -10.873 20.750 -28.144 529 HD3 LYS 661 2HD LYS 661 -9.749 21.892 -28.919 530 HE2 LYS 661 1HE LYS 661 -10.448 21.132 -31.129 531 HE3 LYS 661 2HE LYS 661 -11.391 19.819 -30.422 532 HZ1 LYS 661 1HZ LYS 661 -12.783 21.633 -31.158 533 HZ2 LYS 661 2HZ LYS 661 -12.033 22.692 -30.139 534 HZ3 LYS 661 3HZ LYS 661 -12.919 21.440 -29.527 535 H SER 662 H SER 662 -6.305 20.745 -31.989 536 HA SER 662 HA SER 662 -4.370 21.593 -32.876 537 HB2 SER 662 1HB SER 662 -3.159 21.106 -30.140 538 HB3 SER 662 2HB SER 662 -2.610 22.260 -31.374 539 HG SER 662 HG SER 662 -3.890 23.325 -29.857 540 H LEU 663 H LEU 663 -4.695 19.219 -33.817 541 HA LEU 663 HA LEU 663 -1.982 18.044 -33.980 542 HB2 LEU 663 1HB LEU 663 -3.061 15.765 -33.951 543 HB3 LEU 663 2HB LEU 663 -3.036 16.601 -32.412 544 HG LEU 663 HG LEU 663 -5.505 17.286 -32.990 545 HD11 LEU 663 1HD1 LEU 663 -6.639 15.347 -34.183 546 HD12 LEU 663 2HD1 LEU 663 -5.034 14.932 -34.819 547 HD13 LEU 663 3HD1 LEU 663 -5.760 16.496 -35.207 548 HD21 LEU 663 1HD2 LEU 663 -4.736 15.877 -31.128 549 HD22 LEU 663 2HD2 LEU 663 -4.710 14.462 -32.209 550 HD23 LEU 663 3HD2 LEU 663 -6.248 15.273 -31.830 551 H ASP 664 H ASP 664 -1.838 16.728 -36.041 552 HA ASP 664 HA ASP 664 -2.999 18.227 -38.206 553 HB2 ASP 664 1HB ASP 664 -1.614 15.508 -38.177 554 HB3 ASP 664 2HB ASP 664 -2.108 16.365 -39.640 555 H TRP 665 H TRP 665 -4.730 17.707 -39.544 556 HA TRP 665 HA TRP 665 -6.342 15.334 -38.675 557 HB2 TRP 665 1HB TRP 665 -8.267 16.653 -39.736 558 HB3 TRP 665 2HB TRP 665 -7.648 17.209 -38.180 559 HD1 TRP 665 HD1 TRP 665 -6.036 19.446 -38.233 560 HE1 TRP 665 HE1 TRP 665 -6.004 21.468 -39.753 561 HE3 TRP 665 HE3 TRP 665 -8.727 17.451 -42.105 562 HZ2 TRP 665 HZ2 TRP 665 -6.972 22.148 -42.353 563 HZ3 TRP 665 HZ3 TRP 665 -9.154 18.882 -44.121 564 HH2 TRP 665 HH2 TRP 665 -8.272 21.208 -44.231 565 H ASN 666 H ASN 666 -5.152 17.238 -41.425 566 HA ASN 666 HA ASN 666 -6.195 15.251 -43.344 567 HB2 ASN 666 1HB ASN 666 -5.389 16.822 -45.019 568 HB3 ASN 666 2HB ASN 666 -6.317 17.703 -43.801 569 HD21 ASN 666 1HD2 ASN 666 -2.766 19.035 -44.702 570 HD22 ASN 666 2HD2 ASN 666 -3.829 18.081 -45.711 571 H ALA 667 H ALA 667 -3.740 15.108 -41.294 572 HA ALA 667 HA ALA 667 -2.051 13.553 -43.155 573 HB1 ALA 667 1HB ALA 667 -0.919 15.690 -41.273 574 HB2 ALA 667 2HB ALA 667 0.015 14.605 -42.316 575 HB3 ALA 667 3HB ALA 667 -1.018 15.855 -43.037 576 H GLU 668 H GLU 668 -0.414 12.319 -41.673 577 HA GLU 668 HA GLU 668 -2.091 11.018 -39.679 578 HB2 GLU 668 1HB GLU 668 0.769 10.417 -40.472 579 HB3 GLU 668 2HB GLU 668 -0.374 9.336 -39.660 580 HG2 GLU 668 1HG GLU 668 -1.833 9.552 -41.739 581 HG3 GLU 668 2HG GLU 668 -0.456 10.334 -42.526 582 H TYR 669 H TYR 669 -1.653 10.671 -37.527 583 HA TYR 669 HA TYR 669 0.717 11.994 -36.364 584 HB2 TYR 669 1HB TYR 669 -0.561 13.237 -34.716 585 HB3 TYR 669 2HB TYR 669 -1.020 13.735 -36.345 586 HD1 TYR 669 HD1 TYR 669 -3.195 13.084 -37.309 587 HD2 TYR 669 HD2 TYR 669 -2.149 12.187 -33.236 588 HE1 TYR 669 HE1 TYR 669 -5.572 12.701 -36.784 589 HE2 TYR 669 HE2 TYR 669 -4.541 11.803 -32.711 590 HH TYR 669 HH TYR 669 -6.701 11.850 -33.550 591 H GLU 670 H GLU 670 1.109 11.405 -34.154 592 HA GLU 670 HA GLU 670 -0.101 8.751 -33.478 593 HB2 GLU 670 1HB GLU 670 2.118 8.080 -32.667 594 HB3 GLU 670 2HB GLU 670 2.160 8.494 -34.383 595 HG2 GLU 670 1HG GLU 670 3.062 10.770 -33.746 596 HG3 GLU 670 2HG GLU 670 3.184 10.191 -32.077 597 H VAL 671 H VAL 671 -0.520 8.341 -31.339 598 HA VAL 671 HA VAL 671 -0.077 10.600 -29.404 599 HB VAL 671 HB VAL 671 -2.573 8.873 -29.723 600 HG11 VAL 671 1HG1 VAL 671 -2.206 9.408 -27.371 601 HG12 VAL 671 2HG1 VAL 671 -1.958 11.126 -27.767 602 HG13 VAL 671 3HG1 VAL 671 -3.555 10.374 -27.986 603 HG21 VAL 671 1HG2 VAL 671 -3.733 10.998 -30.318 604 HG22 VAL 671 2HG2 VAL 671 -2.160 11.824 -30.337 605 HG23 VAL 671 3HG2 VAL 671 -2.504 10.528 -31.505 606 H TYR 672 H TYR 672 0.813 9.946 -27.525 607 HA TYR 672 HA TYR 672 0.649 7.043 -26.772 608 HB2 TYR 672 1HB TYR 672 2.834 9.118 -26.423 609 HB3 TYR 672 2HB TYR 672 2.728 7.692 -25.383 610 HD1 TYR 672 HD1 TYR 672 3.589 5.604 -26.071 611 HD2 TYR 672 HD2 TYR 672 3.014 8.725 -28.966 612 HE1 TYR 672 HE1 TYR 672 4.743 4.216 -27.782 613 HE2 TYR 672 HE2 TYR 672 4.201 7.345 -30.683 614 HH TYR 672 HH TYR 672 5.283 5.411 -31.129 615 H VAL 673 H VAL 673 0.064 6.620 -24.635 616 HA VAL 673 HA VAL 673 -0.361 8.922 -22.822 617 HB VAL 673 HB VAL 673 -2.500 8.877 -23.914 618 HG11 VAL 673 1HG1 VAL 673 -2.322 5.868 -23.737 619 HG12 VAL 673 2HG1 VAL 673 -3.868 6.703 -24.016 620 HG13 VAL 673 3HG1 VAL 673 -2.530 6.893 -25.166 621 HG21 VAL 673 1HG2 VAL 673 -4.061 8.322 -22.133 622 HG22 VAL 673 2HG2 VAL 673 -2.890 7.231 -21.369 623 HG23 VAL 673 3HG2 VAL 673 -2.584 8.977 -21.397 624 H VAL 674 H VAL 674 -0.195 8.375 -20.694 625 HA VAL 674 HA VAL 674 -0.089 5.486 -19.974 626 HB VAL 674 HB VAL 674 1.857 5.930 -18.445 627 HG11 VAL 674 1HG1 VAL 674 3.637 6.052 -20.218 628 HG12 VAL 674 2HG1 VAL 674 2.369 4.851 -20.501 629 HG13 VAL 674 3HG1 VAL 674 2.350 6.383 -21.411 630 HG21 VAL 674 1HG2 VAL 674 2.091 8.575 -19.939 631 HG22 VAL 674 2HG2 VAL 674 1.638 8.368 -18.231 632 HG23 VAL 674 3HG2 VAL 674 3.265 7.923 -18.773 633 H ALA 675 H ALA 675 -0.431 5.199 -17.665 634 HA ALA 675 HA ALA 675 -1.886 7.502 -16.413 635 HB1 ALA 675 1HB ALA 675 -3.303 5.481 -16.948 636 HB2 ALA 675 2HB ALA 675 -2.241 4.505 -15.912 637 HB3 ALA 675 3HB ALA 675 -3.196 5.827 -15.212 638 H GLU 676 H GLU 676 -1.414 7.827 -14.171 639 HA GLU 676 HA GLU 676 1.036 6.411 -13.187 640 HB2 GLU 676 1HB GLU 676 1.579 8.652 -14.166 641 HB3 GLU 676 2HB GLU 676 0.408 9.393 -13.075 642 HG2 GLU 676 1HG GLU 676 2.319 7.798 -11.585 643 HG3 GLU 676 2HG GLU 676 3.140 8.965 -12.640 644 H ASN 677 H ASN 677 0.727 5.621 -11.156 645 HA ASN 677 HA ASN 677 -1.387 6.974 -9.553 646 HB2 ASN 677 1HB ASN 677 -2.304 5.005 -8.718 647 HB3 ASN 677 2HB ASN 677 -2.122 4.677 -10.441 648 HD21 ASN 677 1HD2 ASN 677 -1.012 1.697 -8.589 649 HD22 ASN 677 2HD2 ASN 677 -2.490 2.618 -8.774 650 H GLN 678 H GLN 678 -1.013 6.230 -7.138 651 HA GLN 678 HA GLN 678 1.450 7.518 -6.538 652 HB2 GLN 678 1HB GLN 678 -0.849 7.481 -5.372 653 HB3 GLN 678 2HB GLN 678 -0.219 6.062 -4.500 654 HG2 GLN 678 1HG GLN 678 1.564 7.374 -3.533 655 HG3 GLN 678 2HG GLN 678 1.232 8.730 -4.629 656 HE21 GLN 678 1HE2 GLN 678 -0.671 8.487 -1.110 657 HE22 GLN 678 2HE2 GLN 678 0.617 7.401 -1.576 658 H GLN 679 H GLN 679 1.228 4.405 -7.547 659 HA GLN 679 HA GLN 679 3.515 3.548 -5.817 660 HB2 GLN 679 1HB GLN 679 1.000 2.257 -6.454 661 HB3 GLN 679 2HB GLN 679 2.342 1.305 -7.079 662 HG2 GLN 679 1HG GLN 679 1.848 0.510 -4.890 663 HG3 GLN 679 2HG GLN 679 3.404 1.344 -4.828 664 HE21 GLN 679 1HE2 GLN 679 0.329 3.571 -3.263 665 HE22 GLN 679 2HE2 GLN 679 0.223 2.928 -4.883 666 H GLY 680 H GLY 680 2.490 4.262 -9.069 667 HA2 GLY 680 1HA GLY 680 4.990 3.987 -10.231 668 HA3 GLY 680 2HA GLY 680 4.256 2.389 -10.381 669 H LYS 681 H LYS 681 4.343 2.721 -12.738 670 HA LYS 681 HA LYS 681 2.061 4.455 -13.646 671 HB2 LYS 681 1HB LYS 681 4.787 4.236 -14.951 672 HB3 LYS 681 2HB LYS 681 3.367 5.012 -15.669 673 HG2 LYS 681 1HG LYS 681 3.329 6.423 -13.489 674 HG3 LYS 681 2HG LYS 681 5.016 5.920 -13.324 675 HD2 LYS 681 1HD LYS 681 3.800 7.281 -15.768 676 HD3 LYS 681 2HD LYS 681 4.723 8.115 -14.508 677 HE2 LYS 681 1HE LYS 681 5.807 5.857 -16.242 678 HE3 LYS 681 2HE LYS 681 6.053 7.580 -16.554 679 HZ1 LYS 681 1HZ LYS 681 7.171 7.746 -14.405 680 HZ2 LYS 681 2HZ LYS 681 7.922 6.623 -15.352 681 HZ3 LYS 681 3HZ LYS 681 6.942 6.138 -14.117 682 H SER 682 H SER 682 1.293 4.001 -15.808 683 HA SER 682 HA SER 682 0.954 1.090 -16.065 684 HB2 SER 682 1HB SER 682 -0.886 1.599 -17.438 685 HB3 SER 682 2HB SER 682 -0.871 2.932 -16.280 686 HG SER 682 HG SER 682 0.055 2.925 -18.968 687 H LYS 683 H LYS 683 1.033 0.065 -18.226 688 HA LYS 683 HA LYS 683 3.513 0.723 -19.625 689 HB2 LYS 683 1HB LYS 683 2.248 -1.587 -19.508 690 HB3 LYS 683 2HB LYS 683 1.244 -0.895 -20.781 691 HG2 LYS 683 1HG LYS 683 3.498 -0.440 -22.013 692 HG3 LYS 683 2HG LYS 683 4.188 -1.583 -20.853 693 HD2 LYS 683 1HD LYS 683 3.656 -2.868 -22.770 694 HD3 LYS 683 2HD LYS 683 2.346 -3.217 -21.620 695 HE2 LYS 683 1HE LYS 683 0.901 -1.569 -22.749 696 HE3 LYS 683 2HE LYS 683 2.226 -1.129 -23.839 697 HZ1 LYS 683 1HZ LYS 683 2.161 -3.361 -24.748 698 HZ2 LYS 683 2HZ LYS 683 0.689 -2.634 -24.902 699 HZ3 LYS 683 3HZ LYS 683 0.923 -3.783 -23.741 700 H ALA 684 H ALA 684 3.643 1.841 -21.645 701 HA ALA 684 HA ALA 684 1.596 3.814 -22.131 702 HB1 ALA 684 1HB ALA 684 3.935 2.926 -23.892 703 HB2 ALA 684 2HB ALA 684 3.004 4.431 -24.064 704 HB3 ALA 684 3HB ALA 684 4.023 4.179 -22.627 705 H ALA 685 H ALA 685 0.186 4.031 -23.852 706 HA ALA 685 HA ALA 685 -0.070 1.681 -25.689 707 HB1 ALA 685 1HB ALA 685 -2.405 3.323 -24.610 708 HB2 ALA 685 2HB ALA 685 -2.487 1.875 -25.633 709 HB3 ALA 685 3HB ALA 685 -1.953 1.736 -23.943 710 H HIS 686 H HIS 686 -0.473 2.396 -27.827 711 HA HIS 686 HA HIS 686 -0.576 5.302 -28.250 712 HB2 HIS 686 1HB HIS 686 1.246 5.064 -29.964 713 HB3 HIS 686 2HB HIS 686 1.745 4.889 -28.285 714 HD1 HIS 686 HD1 HIS 686 1.278 2.811 -31.416 715 HD2 HIS 686 HD2 HIS 686 2.771 2.447 -27.554 716 HE1 HIS 686 HE1 HIS 686 2.496 0.601 -31.313 717 H PHE 687 H PHE 687 -1.381 5.970 -30.240 718 HA PHE 687 HA PHE 687 -2.151 3.868 -32.148 719 HB2 PHE 687 1HB PHE 687 -4.435 4.180 -32.122 720 HB3 PHE 687 2HB PHE 687 -4.037 4.232 -30.402 721 HD1 PHE 687 HD1 PHE 687 -3.792 6.570 -29.293 722 HD2 PHE 687 HD2 PHE 687 -5.577 5.941 -33.161 723 HE1 PHE 687 HE1 PHE 687 -5.019 8.744 -29.087 724 HE2 PHE 687 HE2 PHE 687 -6.782 8.082 -32.963 725 HZ PHE 687 HZ PHE 687 -6.533 9.484 -30.919 726 H VAL 688 H VAL 688 -2.844 4.756 -34.208 727 HA VAL 688 HA VAL 688 -1.734 7.484 -34.713 728 HB VAL 688 HB VAL 688 -1.476 4.957 -36.438 729 HG11 VAL 688 1HG1 VAL 688 -0.404 7.774 -36.945 730 HG12 VAL 688 2HG1 VAL 688 -0.044 6.341 -37.928 731 HG13 VAL 688 3HG1 VAL 688 -1.700 6.966 -37.859 732 HG21 VAL 688 1HG2 VAL 688 0.979 5.212 -36.027 733 HG22 VAL 688 2HG2 VAL 688 0.631 6.536 -34.894 734 HG23 VAL 688 3HG2 VAL 688 0.073 4.885 -34.538 735 H PHE 689 H PHE 689 -2.986 8.738 -36.153 736 HA PHE 689 HA PHE 689 -5.314 7.465 -37.451 737 HB2 PHE 689 1HB PHE 689 -6.010 7.998 -35.111 738 HB3 PHE 689 2HB PHE 689 -5.634 9.689 -35.408 739 HD1 PHE 689 HD1 PHE 689 -7.179 11.113 -36.618 740 HD2 PHE 689 HD2 PHE 689 -7.881 6.877 -36.349 741 HE1 PHE 689 HE1 PHE 689 -9.473 11.450 -37.491 742 HE2 PHE 689 HE2 PHE 689 -10.180 7.203 -37.254 743 HZ PHE 689 HZ PHE 689 -10.975 9.494 -37.838 744 H ARG 690 H ARG 690 -6.460 8.981 -38.851 745 HA ARG 690 HA ARG 690 -5.386 11.604 -39.521 746 HB2 ARG 690 1HB ARG 690 -5.039 10.797 -41.973 747 HB3 ARG 690 2HB ARG 690 -3.725 10.595 -40.828 748 HG2 ARG 690 1HG ARG 690 -3.688 8.367 -41.060 749 HG3 ARG 690 2HG ARG 690 -5.427 8.228 -40.854 750 HD2 ARG 690 1HD ARG 690 -5.632 7.768 -43.028 751 HD3 ARG 690 2HD ARG 690 -5.031 9.391 -43.417 752 HE ARG 690 HE ARG 690 -2.789 7.747 -42.804 753 HH11 ARG 690 1HH1 ARG 690 -5.220 8.018 -45.363 754 HH12 ARG 690 2HH1 ARG 690 -4.171 7.303 -46.551 755 HH21 ARG 690 1HH2 ARG 690 -1.527 6.887 -44.321 756 HH22 ARG 690 2HH2 ARG 690 -2.088 6.671 -45.972 757 H THR 691 H THR 691 -6.924 12.567 -41.125 758 HA THR 691 HA THR 691 -9.245 10.891 -41.869 759 HB THR 691 HB THR 691 -9.795 11.750 -39.570 760 HG1 THR 691 HG1 THR 691 -11.827 12.524 -40.181 761 HG21 THR 691 1HG2 THR 691 -10.334 14.154 -39.289 762 HG22 THR 691 2HG2 THR 691 -9.616 14.491 -40.878 763 HG23 THR 691 3HG2 THR 691 -8.602 13.872 -39.555 764 H HIS 692 H HIS 692 -10.890 12.786 -42.892 765 HA HIS 692 HA HIS 692 -11.209 14.033 -44.791 766 HB2 HIS 692 1HB HIS 692 -9.999 15.601 -43.019 767 HB3 HIS 692 2HB HIS 692 -8.733 15.631 -44.244 768 HD1 HIS 692 HD1 HIS 692 -10.096 16.056 -46.843 769 HD2 HIS 692 HD2 HIS 692 -11.612 17.699 -43.339 770 HE1 HIS 692 HE1 HIS 692 -11.553 17.998 -47.526 771 H HIS 693 H HIS 693 -9.920 11.657 -45.323 772 HA HIS 693 HA HIS 693 -7.469 11.726 -46.659 773 HB2 HIS 693 1HB HIS 693 -9.003 9.749 -45.967 774 HB3 HIS 693 2HB HIS 693 -9.759 9.961 -47.550 775 HD1 HIS 693 HD1 HIS 693 -6.938 10.608 -49.035 776 HD2 HIS 693 HD2 HIS 693 -7.808 7.353 -46.598 777 HE1 HIS 693 HE1 HIS 693 -5.307 8.785 -49.654 778 H HIS 694 H HIS 694 -10.738 12.306 -48.048 779 HA HIS 694 HA HIS 694 -9.626 12.846 -50.701 780 HB2 HIS 694 1HB HIS 694 -11.996 12.063 -50.287 781 HB3 HIS 694 2HB HIS 694 -12.334 13.629 -49.541 782 HD1 HIS 694 HD1 HIS 694 -12.073 15.769 -51.253 783 HD2 HIS 694 HD2 HIS 694 -12.227 11.990 -52.982 784 HE1 HIS 694 HE1 HIS 694 -12.581 16.111 -53.702 785 H HIS 695 H HIS 695 -8.443 14.676 -51.050 786 HA HIS 695 HA HIS 695 -9.151 17.103 -49.476 787 HB2 HIS 695 1HB HIS 695 -7.046 15.577 -48.771 788 HB3 HIS 695 2HB HIS 695 -6.270 16.545 -50.031 789 HD1 HIS 695 HD1 HIS 695 -7.979 16.886 -46.656 790 HD2 HIS 695 HD2 HIS 695 -5.755 19.174 -49.326 791 HE1 HIS 695 HE1 HIS 695 -7.428 19.049 -45.478 792 H HIS 696 H HIS 696 -7.978 19.062 -50.421 793 HA HIS 696 HA HIS 696 -7.962 18.835 -53.402 794 HB2 HIS 696 1HB HIS 696 -9.023 21.177 -51.798 795 HB3 HIS 696 2HB HIS 696 -9.191 20.890 -53.535 796 HD1 HIS 696 HD1 HIS 696 -11.259 20.885 -50.715 797 HD2 HIS 696 HD2 HIS 696 -10.598 18.082 -53.716 798 HE1 HIS 696 HE1 HIS 696 -13.273 19.360 -50.740 799 H HIS 697 H HIS 697 -6.869 20.778 -54.417 800 HA HIS 697 HA HIS 697 -4.999 22.347 -52.855 801 HB2 HIS 697 1HB HIS 697 -2.962 21.451 -53.809 802 HB3 HIS 697 2HB HIS 697 -3.777 20.126 -52.971 803 HD1 HIS 697 HD1 HIS 697 -3.583 21.523 -56.559 804 HD2 HIS 697 HD2 HIS 697 -3.970 17.886 -54.544 805 HE1 HIS 697 HE1 HIS 697 -3.572 19.715 -58.333 Start of MODEL 18 1 H1 MET 595 1H MET 595 2.376 -0.055 0.153 2 H2 MET 595 2H MET 595 4.013 -0.105 0.358 3 H3 MET 595 3H MET 595 3.247 1.345 0.183 4 HA MET 595 HA MET 595 2.615 0.839 -2.046 5 HB2 MET 595 1HB MET 595 4.909 0.801 -3.065 6 HB3 MET 595 2HB MET 595 4.621 2.055 -1.860 7 HG2 MET 595 1HG MET 595 5.786 0.580 -0.163 8 HG3 MET 595 2HG MET 595 6.259 -0.468 -1.518 9 HE1 MET 595 1HE MET 595 8.323 0.942 0.494 10 HE2 MET 595 2HE MET 595 8.929 -0.018 -0.881 11 HE3 MET 595 3HE MET 595 9.545 1.627 -0.604 12 H GLN 596 H GLN 596 4.363 -1.884 -0.457 13 HA GLN 596 HA GLN 596 4.475 -3.602 -2.654 14 HB2 GLN 596 1HB GLN 596 4.102 -4.125 0.309 15 HB3 GLN 596 2HB GLN 596 4.309 -5.419 -0.869 16 HG2 GLN 596 1HG GLN 596 6.451 -5.053 0.069 17 HG3 GLN 596 2HG GLN 596 6.500 -4.367 -1.558 18 HE21 GLN 596 1HE2 GLN 596 8.179 -1.755 0.152 19 HE22 GLN 596 2HE2 GLN 596 8.389 -3.237 -0.748 20 HA PRO 597 HA PRO 597 0.380 -5.571 -1.865 21 HB2 PRO 597 1HB PRO 597 -1.740 -4.409 -0.669 22 HB3 PRO 597 2HB PRO 597 -0.419 -5.150 0.290 23 HG2 PRO 597 1HG PRO 597 -0.814 -2.273 -0.466 24 HG3 PRO 597 2HG PRO 597 -0.548 -2.984 1.157 25 HD2 PRO 597 1HD PRO 597 1.480 -1.938 -0.314 26 HD3 PRO 597 2HD PRO 597 1.722 -3.367 0.748 27 H VAL 598 H VAL 598 0.861 -2.539 -3.269 28 HA VAL 598 HA VAL 598 -1.606 -2.865 -4.911 29 HB VAL 598 HB VAL 598 -2.229 -0.866 -4.045 30 HG11 VAL 598 1HG1 VAL 598 -0.714 0.817 -3.020 31 HG12 VAL 598 2HG1 VAL 598 -0.586 -0.780 -2.274 32 HG13 VAL 598 3HG1 VAL 598 0.667 -0.226 -3.413 33 HG21 VAL 598 1HG2 VAL 598 -0.066 0.217 -5.893 34 HG22 VAL 598 2HG2 VAL 598 -1.678 -0.319 -6.401 35 HG23 VAL 598 3HG2 VAL 598 -1.510 1.077 -5.331 36 H ARG 599 H ARG 599 -1.347 -3.107 -6.980 37 HA ARG 599 HA ARG 599 1.393 -3.227 -8.049 38 HB2 ARG 599 1HB ARG 599 0.341 -4.325 -9.962 39 HB3 ARG 599 2HB ARG 599 -0.219 -5.066 -8.457 40 HG2 ARG 599 1HG ARG 599 -2.361 -3.921 -8.611 41 HG3 ARG 599 2HG ARG 599 -1.796 -2.951 -9.979 42 HD2 ARG 599 1HD ARG 599 -3.192 -4.678 -10.843 43 HD3 ARG 599 2HD ARG 599 -1.519 -5.039 -11.305 44 HE ARG 599 HE ARG 599 -2.062 -6.369 -8.863 45 HH11 ARG 599 1HH1 ARG 599 -3.115 -6.550 -12.223 46 HH12 ARG 599 2HH1 ARG 599 -3.465 -8.255 -12.122 47 HH21 ARG 599 1HH2 ARG 599 -2.538 -8.540 -8.799 48 HH22 ARG 599 2HH2 ARG 599 -3.149 -9.358 -10.211 49 H GLU 600 H GLU 600 1.771 -2.486 -10.301 50 HA GLU 600 HA GLU 600 1.121 0.310 -10.640 51 HB2 GLU 600 1HB GLU 600 2.424 -1.765 -12.448 52 HB3 GLU 600 2HB GLU 600 2.254 -0.059 -12.861 53 HG2 GLU 600 1HG GLU 600 3.524 0.502 -10.779 54 HG3 GLU 600 2HG GLU 600 3.857 -1.224 -10.581 55 HA PRO 601 HA PRO 601 -2.630 -0.308 -12.789 56 HB2 PRO 601 1HB PRO 601 -2.772 1.799 -14.541 57 HB3 PRO 601 2HB PRO 601 -2.942 1.959 -12.773 58 HG2 PRO 601 1HG PRO 601 -0.571 2.458 -14.492 59 HG3 PRO 601 2HG PRO 601 -1.211 3.435 -13.154 60 HD2 PRO 601 1HD PRO 601 0.909 1.732 -12.939 61 HD3 PRO 601 2HD PRO 601 -0.192 2.110 -11.579 62 H SER 602 H SER 602 -3.737 -0.834 -14.653 63 HA SER 602 HA SER 602 -2.316 -2.398 -16.607 64 HB2 SER 602 1HB SER 602 -4.584 -2.984 -15.833 65 HB3 SER 602 2HB SER 602 -5.213 -1.457 -16.488 66 HG SER 602 HG SER 602 -5.044 -2.205 -18.479 67 H ALA 603 H ALA 603 -2.337 -2.049 -18.900 68 HA ALA 603 HA ALA 603 -1.503 0.492 -19.758 69 HB1 ALA 603 1HB ALA 603 -2.887 -1.615 -21.486 70 HB2 ALA 603 2HB ALA 603 -1.713 -0.387 -22.019 71 HB3 ALA 603 3HB ALA 603 -1.186 -1.728 -20.974 72 HA PRO 604 HA PRO 604 -5.242 2.710 -19.827 73 HB2 PRO 604 1HB PRO 604 -4.827 4.641 -21.711 74 HB3 PRO 604 2HB PRO 604 -3.904 4.598 -20.175 75 HG2 PRO 604 1HG PRO 604 -3.136 3.524 -22.822 76 HG3 PRO 604 2HG PRO 604 -2.252 4.640 -21.743 77 HD2 PRO 604 1HD PRO 604 -1.703 2.031 -21.755 78 HD3 PRO 604 2HD PRO 604 -1.745 2.954 -20.212 79 H LYS 605 H LYS 605 -7.185 3.160 -20.936 80 HA LYS 605 HA LYS 605 -7.782 1.208 -23.047 81 HB2 LYS 605 1HB LYS 605 -9.348 3.156 -21.357 82 HB3 LYS 605 2HB LYS 605 -10.044 2.604 -22.880 83 HG2 LYS 605 1HG LYS 605 -10.917 1.137 -21.242 84 HG3 LYS 605 2HG LYS 605 -9.690 0.222 -22.117 85 HD2 LYS 605 1HD LYS 605 -9.310 -0.362 -19.867 86 HD3 LYS 605 2HD LYS 605 -8.071 0.853 -20.181 87 HE2 LYS 605 1HE LYS 605 -9.022 1.351 -18.034 88 HE3 LYS 605 2HE LYS 605 -9.640 2.580 -19.162 89 HZ1 LYS 605 1HZ LYS 605 -11.099 0.144 -18.300 90 HZ2 LYS 605 2HZ LYS 605 -11.681 1.273 -19.353 91 HZ3 LYS 605 3HZ LYS 605 -11.412 1.674 -17.773 92 H LEU 606 H LEU 606 -8.551 1.761 -25.150 93 HA LEU 606 HA LEU 606 -8.358 4.547 -26.019 94 HB2 LEU 606 1HB LEU 606 -6.011 3.733 -26.152 95 HB3 LEU 606 2HB LEU 606 -6.526 2.385 -27.145 96 HG LEU 606 HG LEU 606 -5.343 4.355 -28.257 97 HD11 LEU 606 1HD1 LEU 606 -7.983 3.433 -29.442 98 HD12 LEU 606 2HD1 LEU 606 -6.421 2.611 -29.571 99 HD13 LEU 606 3HD1 LEU 606 -6.655 4.197 -30.329 100 HD21 LEU 606 1HD2 LEU 606 -6.716 6.240 -28.963 101 HD22 LEU 606 2HD2 LEU 606 -6.617 6.156 -27.194 102 HD23 LEU 606 3HD2 LEU 606 -8.089 5.628 -28.035 103 H GLU 607 H GLU 607 -10.222 4.705 -27.114 104 HA GLU 607 HA GLU 607 -11.129 2.323 -28.656 105 HB2 GLU 607 1HB GLU 607 -12.937 4.555 -27.750 106 HB3 GLU 607 2HB GLU 607 -13.362 2.915 -28.246 107 HG2 GLU 607 1HG GLU 607 -12.059 3.805 -25.655 108 HG3 GLU 607 2HG GLU 607 -13.661 3.099 -25.855 109 H GLY 608 H GLY 608 -9.580 5.149 -29.125 110 HA2 GLY 608 1HA GLY 608 -9.265 6.532 -30.935 111 HA3 GLY 608 2HA GLY 608 -9.698 5.101 -31.870 112 H GLN 609 H GLN 609 -11.571 7.525 -29.917 113 HA GLN 609 HA GLN 609 -13.739 7.261 -31.863 114 HB2 GLN 609 1HB GLN 609 -13.385 8.976 -29.390 115 HB3 GLN 609 2HB GLN 609 -14.859 8.929 -30.365 116 HG2 GLN 609 1HG GLN 609 -13.621 6.522 -28.969 117 HG3 GLN 609 2HG GLN 609 -14.965 7.480 -28.329 118 HE21 GLN 609 1HE2 GLN 609 -15.653 4.494 -30.876 119 HE22 GLN 609 2HE2 GLN 609 -14.108 4.788 -30.107 120 H MET 610 H MET 610 -13.639 8.236 -33.696 121 HA MET 610 HA MET 610 -11.654 10.011 -34.491 122 HB2 MET 610 1HB MET 610 -14.405 9.733 -35.713 123 HB3 MET 610 2HB MET 610 -12.922 10.252 -36.525 124 HG2 MET 610 1HG MET 610 -11.980 7.938 -35.917 125 HG3 MET 610 2HG MET 610 -13.644 7.492 -35.509 126 HE1 MET 610 1HE MET 610 -15.342 9.159 -37.803 127 HE2 MET 610 2HE MET 610 -15.481 7.845 -38.993 128 HE3 MET 610 3HE MET 610 -15.663 7.493 -37.257 129 H GLY 611 H GLY 611 -11.487 12.154 -34.955 130 HA2 GLY 611 1HA GLY 611 -13.386 13.890 -33.475 131 HA3 GLY 611 2HA GLY 611 -11.692 14.236 -33.767 132 H GLU 612 H GLU 612 -14.704 13.604 -35.569 133 HA GLU 612 HA GLU 612 -13.971 15.125 -37.895 134 HB2 GLU 612 1HB GLU 612 -16.492 13.982 -36.772 135 HB3 GLU 612 2HB GLU 612 -16.637 15.238 -38.010 136 HG2 GLU 612 1HG GLU 612 -16.641 13.007 -39.033 137 HG3 GLU 612 2HG GLU 612 -15.225 13.948 -39.539 138 H ASP 613 H ASP 613 -14.581 16.043 -34.757 139 HA ASP 613 HA ASP 613 -15.833 18.585 -34.913 140 HB2 ASP 613 1HB ASP 613 -13.440 17.770 -33.210 141 HB3 ASP 613 2HB ASP 613 -14.617 19.008 -32.810 142 H GLY 614 H GLY 614 -12.729 17.391 -35.960 143 HA2 GLY 614 1HA GLY 614 -11.395 18.514 -37.539 144 HA3 GLY 614 2HA GLY 614 -12.086 20.063 -37.046 145 H ASN 615 H ASN 615 -9.299 18.629 -37.275 146 HA ASN 615 HA ASN 615 -7.242 18.876 -36.335 147 HB2 ASN 615 1HB ASN 615 -8.393 21.293 -36.553 148 HB3 ASN 615 2HB ASN 615 -8.179 21.291 -34.799 149 HD21 ASN 615 1HD2 ASN 615 -4.606 21.321 -35.044 150 HD22 ASN 615 2HD2 ASN 615 -5.926 20.633 -34.107 151 H SER 616 H SER 616 -9.229 17.259 -34.798 152 HA SER 616 HA SER 616 -7.822 17.160 -32.221 153 HB2 SER 616 1HB SER 616 -9.990 17.405 -30.988 154 HB3 SER 616 2HB SER 616 -9.467 18.877 -31.821 155 HG SER 616 HG SER 616 -10.926 18.520 -33.437 156 H ILE 617 H ILE 617 -8.766 15.364 -30.813 157 HA ILE 617 HA ILE 617 -10.551 13.434 -32.095 158 HB ILE 617 HB ILE 617 -8.347 12.871 -33.119 159 HG12 ILE 617 1HG1 ILE 617 -9.024 10.582 -31.300 160 HG13 ILE 617 2HG1 ILE 617 -10.290 11.245 -32.326 161 HG21 ILE 617 1HG2 ILE 617 -6.891 13.506 -31.172 162 HG22 ILE 617 2HG2 ILE 617 -7.482 12.080 -30.290 163 HG23 ILE 617 3HG2 ILE 617 -6.542 11.884 -31.786 164 HD11 ILE 617 1HD1 ILE 617 -9.192 9.303 -33.312 165 HD12 ILE 617 2HD1 ILE 617 -9.061 10.767 -34.309 166 HD13 ILE 617 3HD1 ILE 617 -7.668 10.217 -33.355 167 H LYS 618 H LYS 618 -11.235 11.725 -30.566 168 HA LYS 618 HA LYS 618 -10.742 12.592 -27.734 169 HB2 LYS 618 1HB LYS 618 -13.063 10.924 -28.749 170 HB3 LYS 618 2HB LYS 618 -12.908 11.723 -27.196 171 HG2 LYS 618 1HG LYS 618 -14.359 13.187 -28.194 172 HG3 LYS 618 2HG LYS 618 -12.852 13.919 -28.758 173 HD2 LYS 618 1HD LYS 618 -13.416 13.522 -30.929 174 HD3 LYS 618 2HD LYS 618 -13.656 11.808 -30.588 175 HE2 LYS 618 1HE LYS 618 -15.717 12.518 -31.438 176 HE3 LYS 618 2HE LYS 618 -15.964 12.421 -29.687 177 HZ1 LYS 618 1HZ LYS 618 -15.608 14.865 -29.637 178 HZ2 LYS 618 2HZ LYS 618 -16.918 14.436 -30.538 179 HZ3 LYS 618 3HZ LYS 618 -15.526 14.886 -31.288 180 H VAL 619 H VAL 619 -9.583 11.203 -26.499 181 HA VAL 619 HA VAL 619 -9.558 8.319 -27.327 182 HB VAL 619 HB VAL 619 -7.302 8.399 -27.520 183 HG11 VAL 619 1HG1 VAL 619 -7.457 10.783 -28.117 184 HG12 VAL 619 2HG1 VAL 619 -7.377 11.248 -26.396 185 HG13 VAL 619 3HG1 VAL 619 -5.984 10.477 -27.181 186 HG21 VAL 619 1HG2 VAL 619 -7.205 9.350 -24.619 187 HG22 VAL 619 2HG2 VAL 619 -7.300 7.657 -25.157 188 HG23 VAL 619 3HG2 VAL 619 -5.869 8.629 -25.545 189 H ASN 620 H ASN 620 -10.070 6.881 -25.693 190 HA ASN 620 HA ASN 620 -11.596 8.001 -23.500 191 HB2 ASN 620 1HB ASN 620 -10.877 5.218 -24.418 192 HB3 ASN 620 2HB ASN 620 -11.497 5.462 -22.782 193 HD21 ASN 620 1HD2 ASN 620 -14.053 6.563 -25.795 194 HD22 ASN 620 2HD2 ASN 620 -12.354 6.944 -25.935 195 H LEU 621 H LEU 621 -11.198 7.900 -21.294 196 HA LEU 621 HA LEU 621 -8.388 7.259 -20.605 197 HB2 LEU 621 1HB LEU 621 -9.138 9.793 -20.811 198 HB3 LEU 621 2HB LEU 621 -9.740 9.489 -19.183 199 HG LEU 621 HG LEU 621 -7.420 8.672 -18.570 200 HD11 LEU 621 1HD1 LEU 621 -5.529 9.368 -19.995 201 HD12 LEU 621 2HD1 LEU 621 -6.666 9.890 -21.262 202 HD13 LEU 621 3HD1 LEU 621 -6.540 8.173 -20.826 203 HD21 LEU 621 1HD2 LEU 621 -6.467 11.015 -18.573 204 HD22 LEU 621 2HD2 LEU 621 -8.094 10.841 -17.901 205 HD23 LEU 621 3HD2 LEU 621 -7.878 11.510 -19.537 206 H ILE 622 H ILE 622 -7.943 6.664 -18.544 207 HA ILE 622 HA ILE 622 -9.767 4.813 -17.399 208 HB ILE 622 HB ILE 622 -7.215 6.126 -16.443 209 HG12 ILE 622 1HG1 ILE 622 -6.573 3.561 -17.082 210 HG13 ILE 622 2HG1 ILE 622 -7.828 3.906 -18.263 211 HG21 ILE 622 1HG2 ILE 622 -6.905 4.430 -14.836 212 HG22 ILE 622 2HG2 ILE 622 -8.479 5.169 -14.546 213 HG23 ILE 622 3HG2 ILE 622 -8.360 3.581 -15.353 214 HD11 ILE 622 1HD1 ILE 622 -5.074 4.689 -18.283 215 HD12 ILE 622 2HD1 ILE 622 -6.324 5.011 -19.508 216 HD13 ILE 622 3HD1 ILE 622 -6.044 6.172 -18.199 217 H LYS 623 H LYS 623 -11.531 5.275 -16.190 218 HA LYS 623 HA LYS 623 -11.379 7.565 -14.296 219 HB2 LYS 623 1HB LYS 623 -13.980 7.575 -14.556 220 HB3 LYS 623 2HB LYS 623 -12.937 8.432 -15.671 221 HG2 LYS 623 1HG LYS 623 -14.663 7.374 -16.908 222 HG3 LYS 623 2HG LYS 623 -13.142 6.577 -17.301 223 HD2 LYS 623 1HD LYS 623 -13.750 4.731 -15.782 224 HD3 LYS 623 2HD LYS 623 -15.286 5.554 -15.423 225 HE2 LYS 623 1HE LYS 623 -15.910 5.476 -17.787 226 HE3 LYS 623 2HE LYS 623 -14.345 4.748 -18.201 227 HZ1 LYS 623 1HZ LYS 623 -16.055 3.080 -18.029 228 HZ2 LYS 623 2HZ LYS 623 -16.406 3.519 -16.478 229 HZ3 LYS 623 3HZ LYS 623 -14.937 2.847 -16.831 230 H GLN 624 H GLN 624 -10.939 4.540 -14.155 231 HA GLN 624 HA GLN 624 -12.292 4.207 -11.538 232 HB2 GLN 624 1HB GLN 624 -13.018 1.982 -12.010 233 HB3 GLN 624 2HB GLN 624 -13.654 2.971 -13.322 234 HG2 GLN 624 1HG GLN 624 -11.154 1.231 -13.518 235 HG3 GLN 624 2HG GLN 624 -12.763 0.733 -14.035 236 HE21 GLN 624 1HE2 GLN 624 -10.403 2.953 -16.432 237 HE22 GLN 624 2HE2 GLN 624 -9.904 2.408 -14.848 238 H ASP 625 H ASP 625 -10.844 2.440 -10.334 239 HA ASP 625 HA ASP 625 -8.103 3.080 -11.112 240 HB2 ASP 625 1HB ASP 625 -7.507 2.471 -9.036 241 HB3 ASP 625 2HB ASP 625 -9.226 2.699 -8.700 242 H ASP 626 H ASP 626 -6.465 1.484 -11.608 243 HA ASP 626 HA ASP 626 -7.628 -0.798 -13.160 244 HB2 ASP 626 1HB ASP 626 -5.022 0.720 -13.503 245 HB3 ASP 626 2HB ASP 626 -5.540 -0.653 -14.482 246 H GLY 627 H GLY 627 -6.496 -0.633 -10.187 247 HA2 GLY 627 1HA GLY 627 -5.287 -3.236 -10.287 248 HA3 GLY 627 2HA GLY 627 -4.037 -2.004 -10.154 249 H GLY 628 H GLY 628 -3.528 -1.175 -8.219 250 HA2 GLY 628 1HA GLY 628 -5.087 -2.258 -5.923 251 HA3 GLY 628 2HA GLY 628 -3.386 -1.825 -5.892 252 H SER 629 H SER 629 -4.592 0.737 -7.503 253 HA SER 629 HA SER 629 -5.851 2.168 -5.303 254 HB2 SER 629 1HB SER 629 -4.068 3.761 -4.885 255 HB3 SER 629 2HB SER 629 -3.405 2.137 -4.624 256 HG SER 629 HG SER 629 -3.169 3.642 -7.033 257 HA PRO 630 HA PRO 630 -7.023 4.531 -8.844 258 HB2 PRO 630 1HB PRO 630 -7.357 7.077 -7.903 259 HB3 PRO 630 2HB PRO 630 -8.488 5.745 -7.501 260 HG2 PRO 630 1HG PRO 630 -6.151 6.772 -5.909 261 HG3 PRO 630 2HG PRO 630 -7.853 6.534 -5.389 262 HD2 PRO 630 1HD PRO 630 -5.999 4.674 -4.871 263 HD3 PRO 630 2HD PRO 630 -7.645 4.185 -5.408 264 H ILE 631 H ILE 631 -6.331 6.150 -10.336 265 HA ILE 631 HA ILE 631 -3.445 6.318 -10.474 266 HB ILE 631 HB ILE 631 -5.778 7.150 -12.230 267 HG12 ILE 631 1HG1 ILE 631 -4.524 5.714 -13.877 268 HG13 ILE 631 2HG1 ILE 631 -3.371 5.316 -12.609 269 HG21 ILE 631 1HG2 ILE 631 -4.264 8.992 -12.542 270 HG22 ILE 631 2HG2 ILE 631 -2.869 7.895 -12.645 271 HG23 ILE 631 3HG2 ILE 631 -4.069 7.912 -13.918 272 HD11 ILE 631 1HD1 ILE 631 -5.118 3.561 -13.094 273 HD12 ILE 631 2HD1 ILE 631 -5.045 4.063 -11.392 274 HD13 ILE 631 3HD1 ILE 631 -6.345 4.673 -12.450 275 H ARG 632 H ARG 632 -2.148 8.203 -10.406 276 HA ARG 632 HA ARG 632 -3.315 10.414 -8.805 277 HB2 ARG 632 1HB ARG 632 -0.541 9.426 -9.438 278 HB3 ARG 632 2HB ARG 632 -0.777 11.136 -9.103 279 HG2 ARG 632 1HG ARG 632 -1.913 10.473 -6.926 280 HG3 ARG 632 2HG ARG 632 -1.352 8.807 -7.214 281 HD2 ARG 632 1HD ARG 632 0.209 10.004 -5.754 282 HD3 ARG 632 2HD ARG 632 0.983 9.624 -7.305 283 HE ARG 632 HE ARG 632 -0.056 12.182 -7.640 284 HH11 ARG 632 1HH1 ARG 632 2.264 10.738 -5.401 285 HH12 ARG 632 2HH1 ARG 632 3.146 12.228 -5.215 286 HH21 ARG 632 1HH2 ARG 632 1.126 14.017 -7.388 287 HH22 ARG 632 2HH2 ARG 632 2.501 14.063 -6.312 288 H HIS 633 H HIS 633 -1.460 9.903 -11.874 289 HA HIS 633 HA HIS 633 -2.860 12.278 -12.999 290 HB2 HIS 633 1HB HIS 633 0.033 12.050 -13.684 291 HB3 HIS 633 2HB HIS 633 -0.978 13.490 -13.530 292 HD1 HIS 633 HD1 HIS 633 1.758 11.799 -11.911 293 HD2 HIS 633 HD2 HIS 633 -1.489 14.046 -10.608 294 HE1 HIS 633 HE1 HIS 633 2.318 12.581 -9.589 295 H TYR 634 H TYR 634 -2.535 12.445 -15.380 296 HA TYR 634 HA TYR 634 -1.789 9.830 -16.640 297 HB2 TYR 634 1HB TYR 634 -3.846 11.882 -17.546 298 HB3 TYR 634 2HB TYR 634 -3.297 10.494 -18.510 299 HD1 TYR 634 HD1 TYR 634 -5.674 11.597 -16.101 300 HD2 TYR 634 HD2 TYR 634 -3.484 8.144 -17.392 301 HE1 TYR 634 HE1 TYR 634 -7.219 10.138 -14.866 302 HE2 TYR 634 HE2 TYR 634 -5.058 6.706 -16.130 303 HH TYR 634 HH TYR 634 -7.956 7.883 -14.649 304 H LEU 635 H LEU 635 -0.523 9.954 -18.472 305 HA LEU 635 HA LEU 635 0.629 12.660 -19.018 306 HB2 LEU 635 1HB LEU 635 2.159 10.057 -18.852 307 HB3 LEU 635 2HB LEU 635 2.848 11.646 -19.117 308 HG LEU 635 HG LEU 635 1.420 10.838 -16.549 309 HD11 LEU 635 1HD1 LEU 635 3.355 9.353 -16.983 310 HD12 LEU 635 2HD1 LEU 635 3.556 10.369 -15.546 311 HD13 LEU 635 3HD1 LEU 635 4.409 10.787 -17.057 312 HD21 LEU 635 1HD2 LEU 635 2.686 12.706 -15.561 313 HD22 LEU 635 2HD2 LEU 635 1.619 13.258 -16.866 314 HD23 LEU 635 3HD2 LEU 635 3.367 13.093 -17.159 315 H VAL 636 H VAL 636 -0.266 13.023 -20.992 316 HA VAL 636 HA VAL 636 -0.163 10.819 -23.017 317 HB VAL 636 HB VAL 636 -1.699 13.439 -23.234 318 HG11 VAL 636 1HG1 VAL 636 -1.910 10.793 -24.717 319 HG12 VAL 636 2HG1 VAL 636 -3.031 12.156 -24.915 320 HG13 VAL 636 3HG1 VAL 636 -1.327 12.341 -25.372 321 HG21 VAL 636 1HG2 VAL 636 -3.748 12.121 -22.629 322 HG22 VAL 636 2HG2 VAL 636 -2.694 10.769 -22.166 323 HG23 VAL 636 3HG2 VAL 636 -2.616 12.310 -21.280 324 H ARG 637 H ARG 637 1.081 11.098 -24.865 325 HA ARG 637 HA ARG 637 2.426 13.750 -25.231 326 HB2 ARG 637 1HB ARG 637 3.907 12.291 -23.904 327 HB3 ARG 637 2HB ARG 637 3.741 10.998 -25.091 328 HG2 ARG 637 1HG ARG 637 5.021 12.125 -26.689 329 HG3 ARG 637 2HG ARG 637 4.874 13.679 -25.869 330 HD2 ARG 637 1HD ARG 637 6.381 11.282 -24.795 331 HD3 ARG 637 2HD ARG 637 7.113 12.677 -25.617 332 HE ARG 637 HE ARG 637 5.481 13.573 -23.429 333 HH11 ARG 637 1HH1 ARG 637 8.621 12.058 -24.023 334 HH12 ARG 637 2HH1 ARG 637 9.295 12.673 -22.538 335 HH21 ARG 637 1HH2 ARG 637 6.373 14.286 -21.578 336 HH22 ARG 637 2HH2 ARG 637 8.038 13.927 -21.168 337 H TYR 638 H TYR 638 2.322 14.322 -27.403 338 HA TYR 638 HA TYR 638 1.908 12.158 -29.377 339 HB2 TYR 638 1HB TYR 638 -0.120 13.189 -30.289 340 HB3 TYR 638 2HB TYR 638 -0.352 12.612 -28.640 341 HD1 TYR 638 HD1 TYR 638 -0.828 15.355 -30.875 342 HD2 TYR 638 HD2 TYR 638 -0.135 14.437 -26.722 343 HE1 TYR 638 HE1 TYR 638 -1.777 17.573 -30.211 344 HE2 TYR 638 HE2 TYR 638 -1.035 16.655 -26.090 345 HH TYR 638 HH TYR 638 -1.963 18.588 -26.776 346 H ARG 639 H ARG 639 2.166 12.752 -31.545 347 HA ARG 639 HA ARG 639 3.374 15.440 -32.061 348 HB2 ARG 639 1HB ARG 639 5.310 14.252 -31.493 349 HB3 ARG 639 2HB ARG 639 4.729 12.743 -32.146 350 HG2 ARG 639 1HG ARG 639 5.271 14.926 -34.088 351 HG3 ARG 639 2HG ARG 639 6.656 14.195 -33.281 352 HD2 ARG 639 1HD ARG 639 6.313 12.130 -34.228 353 HD3 ARG 639 2HD ARG 639 4.566 12.375 -34.399 354 HE ARG 639 HE ARG 639 5.766 14.246 -36.092 355 HH11 ARG 639 1HH1 ARG 639 5.623 10.702 -35.869 356 HH12 ARG 639 2HH1 ARG 639 5.818 10.520 -37.600 357 HH21 ARG 639 1HH2 ARG 639 6.033 13.911 -38.249 358 HH22 ARG 639 2HH2 ARG 639 6.045 12.299 -38.918 359 H ALA 640 H ALA 640 3.375 15.916 -34.333 360 HA ALA 640 HA ALA 640 1.720 14.066 -35.991 361 HB1 ALA 640 1HB ALA 640 0.386 16.011 -34.914 362 HB2 ALA 640 2HB ALA 640 1.338 17.083 -35.970 363 HB3 ALA 640 3HB ALA 640 0.290 15.838 -36.676 364 H LEU 641 H LEU 641 1.841 14.944 -38.395 365 HA LEU 641 HA LEU 641 4.624 15.037 -39.114 366 HB2 LEU 641 1HB LEU 641 2.029 15.551 -40.566 367 HB3 LEU 641 2HB LEU 641 3.575 15.847 -41.365 368 HG LEU 641 HG LEU 641 2.987 13.173 -40.077 369 HD11 LEU 641 1HD1 LEU 641 2.276 14.035 -42.901 370 HD12 LEU 641 2HD1 LEU 641 1.143 13.608 -41.595 371 HD13 LEU 641 3HD1 LEU 641 2.215 12.368 -42.273 372 HD21 LEU 641 1HD2 LEU 641 4.634 12.363 -41.707 373 HD22 LEU 641 2HD2 LEU 641 5.329 13.702 -40.770 374 HD23 LEU 641 3HD2 LEU 641 4.758 13.985 -42.427 375 H SER 642 H SER 642 2.103 17.480 -38.658 376 HA SER 642 HA SER 642 4.020 19.658 -39.266 377 HB2 SER 642 1HB SER 642 1.104 19.868 -38.482 378 HB3 SER 642 2HB SER 642 2.103 21.079 -39.315 379 HG SER 642 HG SER 642 0.665 19.023 -40.326 380 H SER 643 H SER 643 3.627 17.923 -36.489 381 HA SER 643 HA SER 643 4.085 20.359 -34.843 382 HB2 SER 643 1HB SER 643 1.957 18.291 -34.215 383 HB3 SER 643 2HB SER 643 2.492 19.575 -33.118 384 HG SER 643 HG SER 643 1.887 20.572 -35.567 385 H GLU 644 H GLU 644 5.179 20.165 -32.995 386 HA GLU 644 HA GLU 644 7.076 18.054 -32.717 387 HB2 GLU 644 1HB GLU 644 7.735 19.264 -30.712 388 HB3 GLU 644 2HB GLU 644 7.353 20.434 -31.988 389 HG2 GLU 644 1HG GLU 644 5.110 20.792 -30.997 390 HG3 GLU 644 2HG GLU 644 5.476 19.619 -29.725 391 H TRP 645 H TRP 645 7.473 16.879 -30.657 392 HA TRP 645 HA TRP 645 5.220 15.337 -29.722 393 HB2 TRP 645 1HB TRP 645 8.106 15.656 -28.847 394 HB3 TRP 645 2HB TRP 645 6.953 14.733 -27.879 395 HD1 TRP 645 HD1 TRP 645 9.299 14.286 -30.717 396 HE1 TRP 645 HE1 TRP 645 9.056 11.991 -31.792 397 HE3 TRP 645 HE3 TRP 645 4.847 12.980 -28.579 398 HZ2 TRP 645 HZ2 TRP 645 7.182 9.836 -31.713 399 HZ3 TRP 645 HZ3 TRP 645 3.866 10.737 -29.112 400 HH2 TRP 645 HH2 TRP 645 5.047 9.187 -30.668 401 H LYS 646 H LYS 646 3.647 16.639 -28.841 402 HA LYS 646 HA LYS 646 4.178 18.745 -26.947 403 HB2 LYS 646 1HB LYS 646 1.689 17.015 -27.163 404 HB3 LYS 646 2HB LYS 646 1.785 18.631 -26.456 405 HG2 LYS 646 1HG LYS 646 2.222 17.938 -29.397 406 HG3 LYS 646 2HG LYS 646 0.745 18.617 -28.719 407 HD2 LYS 646 1HD LYS 646 1.814 20.700 -28.203 408 HD3 LYS 646 2HD LYS 646 3.423 20.034 -28.536 409 HE2 LYS 646 1HE LYS 646 2.686 21.407 -30.411 410 HE3 LYS 646 2HE LYS 646 2.852 19.706 -30.888 411 HZ1 LYS 646 1HZ LYS 646 0.434 19.492 -30.643 412 HZ2 LYS 646 2HZ LYS 646 0.836 20.608 -31.782 413 HZ3 LYS 646 3HZ LYS 646 0.308 21.099 -30.301 414 HA PRO 647 HA PRO 647 5.728 15.877 -24.190 415 HB2 PRO 647 1HB PRO 647 6.256 17.320 -21.949 416 HB3 PRO 647 2HB PRO 647 7.088 17.610 -23.512 417 HG2 PRO 647 1HG PRO 647 4.702 19.050 -22.356 418 HG3 PRO 647 2HG PRO 647 6.227 19.737 -23.003 419 HD2 PRO 647 1HD PRO 647 3.971 19.548 -24.514 420 HD3 PRO 647 2HD PRO 647 5.613 19.320 -25.220 421 H GLU 648 H GLU 648 2.941 17.571 -22.638 422 HA GLU 648 HA GLU 648 2.209 15.079 -21.279 423 HB2 GLU 648 1HB GLU 648 3.945 15.874 -19.781 424 HB3 GLU 648 2HB GLU 648 3.300 17.512 -19.815 425 HG2 GLU 648 1HG GLU 648 1.390 15.498 -18.817 426 HG3 GLU 648 2HG GLU 648 2.855 15.670 -17.848 427 H ILE 649 H ILE 649 0.070 15.095 -20.651 428 HA ILE 649 HA ILE 649 -1.456 17.640 -20.814 429 HB ILE 649 HB ILE 649 -2.320 14.959 -22.004 430 HG12 ILE 649 1HG1 ILE 649 -0.615 16.135 -23.395 431 HG13 ILE 649 2HG1 ILE 649 -2.171 15.956 -24.188 432 HG21 ILE 649 1HG2 ILE 649 -4.195 16.466 -22.995 433 HG22 ILE 649 2HG2 ILE 649 -4.305 15.925 -21.326 434 HG23 ILE 649 3HG2 ILE 649 -3.776 17.583 -21.672 435 HD11 ILE 649 1HD1 ILE 649 -1.042 18.216 -24.538 436 HD12 ILE 649 2HD1 ILE 649 -2.702 18.313 -23.918 437 HD13 ILE 649 3HD1 ILE 649 -1.321 18.565 -22.825 438 H ARG 650 H ARG 650 -2.222 17.956 -18.880 439 HA ARG 650 HA ARG 650 -1.943 16.050 -16.708 440 HB2 ARG 650 1HB ARG 650 -2.670 18.155 -15.461 441 HB3 ARG 650 2HB ARG 650 -1.267 18.329 -16.503 442 HG2 ARG 650 1HG ARG 650 -3.657 18.890 -18.162 443 HG3 ARG 650 2HG ARG 650 -3.888 19.715 -16.631 444 HD2 ARG 650 1HD ARG 650 -2.554 20.870 -18.720 445 HD3 ARG 650 2HD ARG 650 -2.384 21.356 -17.030 446 HE ARG 650 HE ARG 650 -0.482 19.274 -17.821 447 HH11 ARG 650 1HH1 ARG 650 -1.002 22.780 -17.774 448 HH12 ARG 650 2HH1 ARG 650 0.709 23.111 -17.777 449 HH21 ARG 650 1HH2 ARG 650 1.645 19.770 -17.786 450 HH22 ARG 650 2HH2 ARG 650 2.181 21.438 -17.811 451 H LEU 651 H LEU 651 -3.718 14.496 -16.397 452 HA LEU 651 HA LEU 651 -6.251 15.914 -15.742 453 HB2 LEU 651 1HB LEU 651 -5.897 13.648 -17.686 454 HB3 LEU 651 2HB LEU 651 -7.426 13.931 -16.881 455 HG LEU 651 HG LEU 651 -7.552 14.833 -19.071 456 HD11 LEU 651 1HD1 LEU 651 -8.656 16.078 -17.231 457 HD12 LEU 651 2HD1 LEU 651 -8.291 17.070 -18.657 458 HD13 LEU 651 3HD1 LEU 651 -7.263 17.214 -17.211 459 HD21 LEU 651 1HD2 LEU 651 -5.397 17.020 -18.737 460 HD22 LEU 651 2HD2 LEU 651 -6.188 16.336 -20.193 461 HD23 LEU 651 3HD2 LEU 651 -4.981 15.366 -19.325 462 HA PRO 652 HA PRO 652 -6.402 13.310 -12.186 463 HB2 PRO 652 1HB PRO 652 -9.005 13.609 -11.481 464 HB3 PRO 652 2HB PRO 652 -7.862 14.997 -11.399 465 HG2 PRO 652 1HG PRO 652 -9.799 14.233 -13.565 466 HG3 PRO 652 2HG PRO 652 -9.623 15.803 -12.738 467 HD2 PRO 652 1HD PRO 652 -8.462 15.338 -15.118 468 HD3 PRO 652 2HD PRO 652 -7.625 16.301 -13.855 469 H SER 653 H SER 653 -7.367 11.376 -11.299 470 HA SER 653 HA SER 653 -7.967 9.342 -13.198 471 HB2 SER 653 1HB SER 653 -6.870 9.085 -10.974 472 HB3 SER 653 2HB SER 653 -8.456 9.275 -10.212 473 HG SER 653 HG SER 653 -9.080 7.462 -11.669 474 H GLY 654 H GLY 654 -10.108 11.697 -12.515 475 HA2 GLY 654 1HA GLY 654 -12.446 9.834 -12.536 476 HA3 GLY 654 2HA GLY 654 -12.485 11.519 -11.979 477 H SER 655 H SER 655 -10.462 11.225 -14.667 478 HA SER 655 HA SER 655 -12.418 12.648 -16.322 479 HB2 SER 655 1HB SER 655 -9.545 11.803 -16.832 480 HB3 SER 655 2HB SER 655 -10.493 12.898 -17.868 481 HG SER 655 HG SER 655 -9.429 13.264 -15.307 482 H ASP 656 H ASP 656 -13.764 11.602 -17.708 483 HA ASP 656 HA ASP 656 -13.536 8.748 -18.127 484 HB2 ASP 656 1HB ASP 656 -15.692 9.930 -17.911 485 HB3 ASP 656 2HB ASP 656 -15.350 10.810 -19.408 486 H HIS 657 H HIS 657 -12.767 11.584 -20.076 487 HA HIS 657 HA HIS 657 -11.189 9.931 -21.870 488 HB2 HIS 657 1HB HIS 657 -12.349 10.767 -23.927 489 HB3 HIS 657 2HB HIS 657 -13.303 9.614 -22.991 490 HD1 HIS 657 HD1 HIS 657 -15.522 10.440 -21.965 491 HD2 HIS 657 HD2 HIS 657 -13.333 13.424 -23.861 492 HE1 HIS 657 HE1 HIS 657 -17.044 12.441 -22.159 493 H VAL 658 H VAL 658 -10.093 11.390 -23.476 494 HA VAL 658 HA VAL 658 -9.968 14.202 -22.500 495 HB VAL 658 HB VAL 658 -8.077 12.983 -21.425 496 HG11 VAL 658 1HG1 VAL 658 -6.275 11.965 -22.720 497 HG12 VAL 658 2HG1 VAL 658 -7.811 11.157 -23.087 498 HG13 VAL 658 3HG1 VAL 658 -7.121 12.320 -24.242 499 HG21 VAL 658 1HG2 VAL 658 -6.252 14.431 -22.153 500 HG22 VAL 658 2HG2 VAL 658 -7.105 14.801 -23.669 501 HG23 VAL 658 3HG2 VAL 658 -7.773 15.344 -22.109 502 H MET 659 H MET 659 -9.816 15.655 -24.162 503 HA MET 659 HA MET 659 -9.741 14.449 -26.886 504 HB2 MET 659 1HB MET 659 -11.869 15.603 -26.228 505 HB3 MET 659 2HB MET 659 -10.953 17.116 -26.095 506 HG2 MET 659 1HG MET 659 -10.377 17.033 -28.443 507 HG3 MET 659 2HG MET 659 -11.027 15.396 -28.577 508 HE1 MET 659 1HE MET 659 -12.430 17.310 -30.903 509 HE2 MET 659 2HE MET 659 -12.183 15.612 -30.441 510 HE3 MET 659 3HE MET 659 -13.825 16.281 -30.565 511 H LEU 660 H LEU 660 -8.011 14.828 -28.023 512 HA LEU 660 HA LEU 660 -6.093 16.884 -27.059 513 HB2 LEU 660 1HB LEU 660 -5.880 14.744 -29.203 514 HB3 LEU 660 2HB LEU 660 -4.578 15.818 -28.703 515 HG LEU 660 HG LEU 660 -5.912 13.714 -26.961 516 HD11 LEU 660 1HD1 LEU 660 -3.171 13.841 -28.262 517 HD12 LEU 660 2HD1 LEU 660 -4.529 12.803 -28.762 518 HD13 LEU 660 3HD1 LEU 660 -3.764 12.560 -27.180 519 HD21 LEU 660 1HD2 LEU 660 -3.562 15.569 -26.384 520 HD22 LEU 660 2HD2 LEU 660 -4.033 14.183 -25.380 521 HD23 LEU 660 3HD2 LEU 660 -5.136 15.556 -25.553 522 H LYS 661 H LYS 661 -5.188 18.400 -28.565 523 HA LYS 661 HA LYS 661 -6.705 18.921 -31.055 524 HB2 LYS 661 1HB LYS 661 -6.884 20.523 -28.543 525 HB3 LYS 661 2HB LYS 661 -6.547 21.460 -30.008 526 HG2 LYS 661 1HG LYS 661 -8.513 20.561 -31.106 527 HG3 LYS 661 2HG LYS 661 -8.838 19.498 -29.728 528 HD2 LYS 661 1HD LYS 661 -9.450 21.343 -28.356 529 HD3 LYS 661 2HD LYS 661 -8.809 22.505 -29.549 530 HE2 LYS 661 1HE LYS 661 -11.198 22.430 -29.869 531 HE3 LYS 661 2HE LYS 661 -10.412 21.601 -31.231 532 HZ1 LYS 661 1HZ LYS 661 -11.707 20.239 -28.931 533 HZ2 LYS 661 2HZ LYS 661 -10.974 19.484 -30.201 534 HZ3 LYS 661 3HZ LYS 661 -12.338 20.373 -30.449 535 H SER 662 H SER 662 -5.527 20.974 -32.049 536 HA SER 662 HA SER 662 -3.592 21.758 -33.002 537 HB2 SER 662 1HB SER 662 -3.178 22.543 -30.631 538 HB3 SER 662 2HB SER 662 -2.192 21.087 -30.391 539 HG SER 662 HG SER 662 -1.128 21.913 -32.457 540 H LEU 663 H LEU 663 -4.258 19.364 -33.843 541 HA LEU 663 HA LEU 663 -1.680 17.962 -34.241 542 HB2 LEU 663 1HB LEU 663 -2.903 15.789 -34.042 543 HB3 LEU 663 2HB LEU 663 -2.749 16.667 -32.530 544 HG LEU 663 HG LEU 663 -5.204 17.493 -33.037 545 HD11 LEU 663 1HD1 LEU 663 -6.519 15.582 -34.073 546 HD12 LEU 663 2HD1 LEU 663 -4.982 15.009 -34.748 547 HD13 LEU 663 3HD1 LEU 663 -5.610 16.596 -35.206 548 HD21 LEU 663 1HD2 LEU 663 -6.004 15.582 -31.747 549 HD22 LEU 663 2HD2 LEU 663 -4.422 16.116 -31.149 550 HD23 LEU 663 3HD2 LEU 663 -4.542 14.659 -32.164 551 H ASP 664 H ASP 664 -1.790 16.682 -36.278 552 HA ASP 664 HA ASP 664 -3.132 18.177 -38.351 553 HB2 ASP 664 1HB ASP 664 -1.606 15.552 -38.271 554 HB3 ASP 664 2HB ASP 664 -2.406 16.128 -39.741 555 H TRP 665 H TRP 665 -4.951 17.632 -39.545 556 HA TRP 665 HA TRP 665 -6.517 15.324 -38.464 557 HB2 TRP 665 1HB TRP 665 -8.505 16.639 -39.418 558 HB3 TRP 665 2HB TRP 665 -7.762 17.214 -37.924 559 HD1 TRP 665 HD1 TRP 665 -6.113 19.427 -38.160 560 HE1 TRP 665 HE1 TRP 665 -6.182 21.420 -39.717 561 HE3 TRP 665 HE3 TRP 665 -9.153 17.399 -41.746 562 HZ2 TRP 665 HZ2 TRP 665 -7.364 22.064 -42.237 563 HZ3 TRP 665 HZ3 TRP 665 -9.740 18.799 -43.741 564 HH2 TRP 665 HH2 TRP 665 -8.830 21.105 -43.981 565 H ASN 666 H ASN 666 -5.572 17.136 -41.376 566 HA ASN 666 HA ASN 666 -6.695 15.021 -43.113 567 HB2 ASN 666 1HB ASN 666 -6.077 16.538 -44.925 568 HB3 ASN 666 2HB ASN 666 -6.974 17.426 -43.689 569 HD21 ASN 666 1HD2 ASN 666 -3.439 18.754 -44.832 570 HD22 ASN 666 2HD2 ASN 666 -4.428 17.606 -45.706 571 H ALA 667 H ALA 667 -4.156 14.927 -41.237 572 HA ALA 667 HA ALA 667 -2.503 13.436 -43.163 573 HB1 ALA 667 1HB ALA 667 -0.477 14.654 -42.753 574 HB2 ALA 667 2HB ALA 667 -1.688 15.887 -43.154 575 HB3 ALA 667 3HB ALA 667 -1.218 15.615 -41.463 576 H GLU 668 H GLU 668 -0.628 12.375 -41.766 577 HA GLU 668 HA GLU 668 -2.072 11.042 -39.626 578 HB2 GLU 668 1HB GLU 668 0.780 10.638 -40.584 579 HB3 GLU 668 2HB GLU 668 -0.196 9.534 -39.636 580 HG2 GLU 668 1HG GLU 668 -1.720 9.936 -41.926 581 HG3 GLU 668 2HG GLU 668 -0.066 9.900 -42.529 582 H TYR 669 H TYR 669 -1.525 10.816 -37.515 583 HA TYR 669 HA TYR 669 0.847 12.178 -36.436 584 HB2 TYR 669 1HB TYR 669 -0.427 13.399 -34.757 585 HB3 TYR 669 2HB TYR 669 -0.916 13.915 -36.372 586 HD1 TYR 669 HD1 TYR 669 -3.110 13.199 -37.312 587 HD2 TYR 669 HD2 TYR 669 -1.988 12.320 -33.251 588 HE1 TYR 669 HE1 TYR 669 -5.473 12.760 -36.753 589 HE2 TYR 669 HE2 TYR 669 -4.379 11.878 -32.704 590 HH TYR 669 HH TYR 669 -6.949 12.301 -35.144 591 H GLU 670 H GLU 670 1.201 11.490 -34.177 592 HA GLU 670 HA GLU 670 -0.117 8.860 -33.615 593 HB2 GLU 670 1HB GLU 670 2.057 8.033 -32.847 594 HB3 GLU 670 2HB GLU 670 2.115 8.515 -34.549 595 HG2 GLU 670 1HG GLU 670 3.141 10.699 -33.836 596 HG3 GLU 670 2HG GLU 670 3.222 10.065 -32.186 597 H VAL 671 H VAL 671 -0.472 8.340 -31.478 598 HA VAL 671 HA VAL 671 0.072 10.500 -29.468 599 HB VAL 671 HB VAL 671 -2.485 8.865 -29.797 600 HG11 VAL 671 1HG1 VAL 671 -2.059 9.322 -27.437 601 HG12 VAL 671 2HG1 VAL 671 -1.775 11.044 -27.790 602 HG13 VAL 671 3HG1 VAL 671 -3.394 10.339 -28.000 603 HG21 VAL 671 1HG2 VAL 671 -1.994 11.818 -30.341 604 HG22 VAL 671 2HG2 VAL 671 -2.397 10.566 -31.534 605 HG23 VAL 671 3HG2 VAL 671 -3.590 11.039 -30.314 606 H TYR 672 H TYR 672 1.015 9.737 -27.651 607 HA TYR 672 HA TYR 672 0.745 6.816 -26.991 608 HB2 TYR 672 1HB TYR 672 2.996 8.812 -26.602 609 HB3 TYR 672 2HB TYR 672 2.838 7.391 -25.559 610 HD1 TYR 672 HD1 TYR 672 3.611 5.265 -26.247 611 HD2 TYR 672 HD2 TYR 672 3.164 8.422 -29.125 612 HE1 TYR 672 HE1 TYR 672 4.704 3.832 -27.967 613 HE2 TYR 672 HE2 TYR 672 4.297 6.986 -30.858 614 HH TYR 672 HH TYR 672 5.378 3.655 -30.141 615 H VAL 673 H VAL 673 0.206 6.328 -24.844 616 HA VAL 673 HA VAL 673 -0.223 8.593 -22.987 617 HB VAL 673 HB VAL 673 -2.355 8.565 -24.103 618 HG11 VAL 673 1HG1 VAL 673 -2.237 5.541 -23.905 619 HG12 VAL 673 2HG1 VAL 673 -3.735 6.425 -24.273 620 HG13 VAL 673 3HG1 VAL 673 -2.339 6.551 -25.360 621 HG21 VAL 673 1HG2 VAL 673 -3.923 8.001 -22.352 622 HG22 VAL 673 2HG2 VAL 673 -2.766 6.880 -21.603 623 HG23 VAL 673 3HG2 VAL 673 -2.442 8.626 -21.595 624 H VAL 674 H VAL 674 0.035 8.031 -20.886 625 HA VAL 674 HA VAL 674 -0.041 5.152 -20.147 626 HB VAL 674 HB VAL 674 1.955 5.453 -18.648 627 HG11 VAL 674 1HG1 VAL 674 2.337 4.318 -20.695 628 HG12 VAL 674 2HG1 VAL 674 2.445 5.838 -21.619 629 HG13 VAL 674 3HG1 VAL 674 3.709 5.404 -20.436 630 HG21 VAL 674 1HG2 VAL 674 1.937 7.896 -18.456 631 HG22 VAL 674 2HG2 VAL 674 3.514 7.314 -19.022 632 HG23 VAL 674 3HG2 VAL 674 2.379 8.049 -20.174 633 H ALA 675 H ALA 675 -0.379 4.883 -17.851 634 HA ALA 675 HA ALA 675 -1.706 7.252 -16.582 635 HB1 ALA 675 1HB ALA 675 -3.176 5.270 -17.003 636 HB2 ALA 675 2HB ALA 675 -2.069 4.268 -16.041 637 HB3 ALA 675 3HB ALA 675 -2.953 5.597 -15.276 638 H GLU 676 H GLU 676 -1.073 7.754 -14.439 639 HA GLU 676 HA GLU 676 1.328 6.269 -13.438 640 HB2 GLU 676 1HB GLU 676 1.856 8.459 -14.586 641 HB3 GLU 676 2HB GLU 676 0.863 9.285 -13.384 642 HG2 GLU 676 1HG GLU 676 2.370 8.571 -11.609 643 HG3 GLU 676 2HG GLU 676 3.309 7.630 -12.776 644 H ASN 677 H ASN 677 0.652 5.259 -11.606 645 HA ASN 677 HA ASN 677 -1.338 6.742 -9.970 646 HB2 ASN 677 1HB ASN 677 -2.139 4.763 -9.041 647 HB3 ASN 677 2HB ASN 677 -1.930 4.396 -10.751 648 HD21 ASN 677 1HD2 ASN 677 -0.675 1.507 -8.891 649 HD22 ASN 677 2HD2 ASN 677 -2.198 2.325 -9.168 650 H GLN 678 H GLN 678 -0.949 5.881 -7.471 651 HA GLN 678 HA GLN 678 1.360 7.456 -6.813 652 HB2 GLN 678 1HB GLN 678 -0.878 7.383 -5.696 653 HB3 GLN 678 2HB GLN 678 -0.389 5.852 -4.936 654 HG2 GLN 678 1HG GLN 678 1.368 6.953 -3.701 655 HG3 GLN 678 2HG GLN 678 1.184 8.437 -4.656 656 HE21 GLN 678 1HE2 GLN 678 -0.917 7.989 -1.308 657 HE22 GLN 678 2HE2 GLN 678 0.423 6.965 -1.768 658 H GLN 679 H GLN 679 1.412 4.336 -7.842 659 HA GLN 679 HA GLN 679 3.718 3.648 -6.052 660 HB2 GLN 679 1HB GLN 679 1.368 2.093 -6.946 661 HB3 GLN 679 2HB GLN 679 2.913 1.274 -7.160 662 HG2 GLN 679 1HG GLN 679 2.046 0.640 -5.029 663 HG3 GLN 679 2HG GLN 679 3.454 1.669 -4.772 664 HE21 GLN 679 1HE2 GLN 679 -0.127 3.576 -4.088 665 HE22 GLN 679 2HE2 GLN 679 0.137 2.717 -5.585 666 H GLY 680 H GLY 680 2.545 3.889 -9.400 667 HA2 GLY 680 1HA GLY 680 5.164 3.935 -10.476 668 HA3 GLY 680 2HA GLY 680 4.552 2.285 -10.600 669 H LYS 681 H LYS 681 4.578 2.439 -12.933 670 HA LYS 681 HA LYS 681 2.346 4.158 -13.973 671 HB2 LYS 681 1HB LYS 681 5.184 3.970 -14.921 672 HB3 LYS 681 2HB LYS 681 3.883 4.255 -16.088 673 HG2 LYS 681 1HG LYS 681 3.092 6.046 -14.433 674 HG3 LYS 681 2HG LYS 681 4.726 5.969 -13.777 675 HD2 LYS 681 1HD LYS 681 4.229 6.291 -16.732 676 HD3 LYS 681 2HD LYS 681 4.104 7.679 -15.641 677 HE2 LYS 681 1HE LYS 681 6.533 5.891 -15.759 678 HE3 LYS 681 2HE LYS 681 6.319 7.353 -16.735 679 HZ1 LYS 681 1HZ LYS 681 5.923 8.546 -14.551 680 HZ2 LYS 681 2HZ LYS 681 7.472 7.998 -14.766 681 HZ3 LYS 681 3HZ LYS 681 6.432 7.187 -13.778 682 H SER 682 H SER 682 1.594 3.703 -16.084 683 HA SER 682 HA SER 682 1.046 0.807 -16.222 684 HB2 SER 682 1HB SER 682 -0.834 1.387 -17.477 685 HB3 SER 682 2HB SER 682 -0.655 2.781 -16.423 686 HG SER 682 HG SER 682 0.100 2.552 -19.148 687 H LYS 683 H LYS 683 0.961 -0.280 -18.351 688 HA LYS 683 HA LYS 683 3.403 0.138 -19.885 689 HB2 LYS 683 1HB LYS 683 1.921 -2.037 -19.677 690 HB3 LYS 683 2HB LYS 683 0.937 -1.251 -20.913 691 HG2 LYS 683 1HG LYS 683 3.150 -1.048 -22.262 692 HG3 LYS 683 2HG LYS 683 3.783 -2.244 -21.121 693 HD2 LYS 683 1HD LYS 683 3.009 -3.496 -22.980 694 HD3 LYS 683 2HD LYS 683 1.734 -3.681 -21.756 695 HE2 LYS 683 1HE LYS 683 0.431 -1.877 -22.848 696 HE3 LYS 683 2HE LYS 683 1.723 -1.655 -24.037 697 HZ1 LYS 683 1HZ LYS 683 0.100 -4.110 -23.729 698 HZ2 LYS 683 2HZ LYS 683 1.308 -3.894 -24.833 699 HZ3 LYS 683 3HZ LYS 683 -0.065 -2.985 -24.926 700 H ALA 684 H ALA 684 3.553 1.230 -21.905 701 HA ALA 684 HA ALA 684 1.628 3.342 -22.347 702 HB1 ALA 684 1HB ALA 684 3.914 2.337 -24.093 703 HB2 ALA 684 2HB ALA 684 3.074 3.899 -24.254 704 HB3 ALA 684 3HB ALA 684 4.061 3.566 -22.812 705 H ALA 685 H ALA 685 0.302 3.704 -24.114 706 HA ALA 685 HA ALA 685 -0.098 1.441 -26.016 707 HB1 ALA 685 1HB ALA 685 -2.520 1.749 -25.924 708 HB2 ALA 685 2HB ALA 685 -1.961 1.438 -24.264 709 HB3 ALA 685 3HB ALA 685 -2.351 3.096 -24.781 710 H HIS 686 H HIS 686 -0.593 2.282 -28.115 711 HA HIS 686 HA HIS 686 -0.606 5.201 -28.399 712 HB2 HIS 686 1HB HIS 686 1.168 5.038 -30.156 713 HB3 HIS 686 2HB HIS 686 1.702 4.757 -28.503 714 HD1 HIS 686 HD1 HIS 686 1.238 2.935 -31.772 715 HD2 HIS 686 HD2 HIS 686 2.616 2.211 -27.920 716 HE1 HIS 686 HE1 HIS 686 2.419 0.703 -31.830 717 H PHE 687 H PHE 687 -1.443 5.998 -30.344 718 HA PHE 687 HA PHE 687 -2.360 3.977 -32.294 719 HB2 PHE 687 1HB PHE 687 -4.617 4.359 -32.139 720 HB3 PHE 687 2HB PHE 687 -4.156 4.470 -30.434 721 HD1 PHE 687 HD1 PHE 687 -3.918 6.741 -29.350 722 HD2 PHE 687 HD2 PHE 687 -5.596 6.189 -33.275 723 HE1 PHE 687 HE1 PHE 687 -5.022 8.966 -29.193 724 HE2 PHE 687 HE2 PHE 687 -6.668 8.407 -33.132 725 HZ PHE 687 HZ PHE 687 -6.409 9.799 -31.083 726 H VAL 688 H VAL 688 -3.060 4.942 -34.329 727 HA VAL 688 HA VAL 688 -1.884 7.648 -34.839 728 HB VAL 688 HB VAL 688 -1.619 5.098 -36.540 729 HG11 VAL 688 1HG1 VAL 688 -0.193 6.457 -38.058 730 HG12 VAL 688 2HG1 VAL 688 -1.848 7.085 -37.993 731 HG13 VAL 688 3HG1 VAL 688 -0.549 7.906 -37.096 732 HG21 VAL 688 1HG2 VAL 688 -0.071 5.059 -34.640 733 HG22 VAL 688 2HG2 VAL 688 0.833 5.360 -36.136 734 HG23 VAL 688 3HG2 VAL 688 0.486 6.704 -35.024 735 H PHE 689 H PHE 689 -3.146 8.895 -36.312 736 HA PHE 689 HA PHE 689 -5.459 7.581 -37.607 737 HB2 PHE 689 1HB PHE 689 -6.203 8.047 -35.301 738 HB3 PHE 689 2HB PHE 689 -5.759 9.744 -35.491 739 HD1 PHE 689 HD1 PHE 689 -7.241 11.300 -36.556 740 HD2 PHE 689 HD2 PHE 689 -8.081 7.085 -36.694 741 HE1 PHE 689 HE1 PHE 689 -9.507 11.796 -37.429 742 HE2 PHE 689 HE2 PHE 689 -10.344 7.570 -37.613 743 HZ PHE 689 HZ PHE 689 -11.066 9.932 -37.976 744 H ARG 690 H ARG 690 -6.641 8.960 -39.050 745 HA ARG 690 HA ARG 690 -5.903 11.732 -39.517 746 HB2 ARG 690 1HB ARG 690 -5.780 10.861 -42.132 747 HB3 ARG 690 2HB ARG 690 -4.429 11.444 -41.181 748 HG2 ARG 690 1HG ARG 690 -3.717 9.504 -42.256 749 HG3 ARG 690 2HG ARG 690 -3.902 9.078 -40.559 750 HD2 ARG 690 1HD ARG 690 -6.019 7.945 -41.072 751 HD3 ARG 690 2HD ARG 690 -5.891 8.465 -42.773 752 HE ARG 690 HE ARG 690 -3.455 7.204 -42.106 753 HH11 ARG 690 1HH1 ARG 690 -6.841 6.197 -42.400 754 HH12 ARG 690 2HH1 ARG 690 -6.401 4.567 -42.837 755 HH21 ARG 690 1HH2 ARG 690 -2.982 5.173 -42.643 756 HH22 ARG 690 2HH2 ARG 690 -4.225 3.987 -42.973 757 H THR 691 H THR 691 -7.526 12.684 -40.890 758 HA THR 691 HA THR 691 -9.802 10.930 -41.695 759 HB THR 691 HB THR 691 -10.358 11.818 -39.411 760 HG1 THR 691 HG1 THR 691 -12.370 12.362 -39.994 761 HG21 THR 691 1HG2 THR 691 -10.050 14.565 -40.701 762 HG22 THR 691 2HG2 THR 691 -9.043 13.898 -39.399 763 HG23 THR 691 3HG2 THR 691 -10.761 14.249 -39.104 764 H HIS 692 H HIS 692 -11.415 12.761 -42.800 765 HA HIS 692 HA HIS 692 -11.722 14.075 -44.642 766 HB2 HIS 692 1HB HIS 692 -10.514 15.576 -42.814 767 HB3 HIS 692 2HB HIS 692 -9.250 15.657 -44.044 768 HD1 HIS 692 HD1 HIS 692 -12.692 16.899 -43.238 769 HD2 HIS 692 HD2 HIS 692 -10.022 16.991 -46.426 770 HE1 HIS 692 HE1 HIS 692 -13.529 18.668 -44.835 771 H HIS 693 H HIS 693 -9.801 11.727 -45.007 772 HA HIS 693 HA HIS 693 -7.903 12.630 -46.994 773 HB2 HIS 693 1HB HIS 693 -7.732 10.159 -47.517 774 HB3 HIS 693 2HB HIS 693 -7.342 10.637 -45.863 775 HD1 HIS 693 HD1 HIS 693 -10.936 10.099 -47.035 776 HD2 HIS 693 HD2 HIS 693 -8.030 8.285 -44.681 777 HE1 HIS 693 HE1 HIS 693 -12.067 8.189 -45.832 778 H HIS 694 H HIS 694 -7.953 12.337 -49.242 779 HA HIS 694 HA HIS 694 -10.583 12.792 -50.413 780 HB2 HIS 694 1HB HIS 694 -9.297 13.186 -52.470 781 HB3 HIS 694 2HB HIS 694 -8.629 14.082 -51.103 782 HD1 HIS 694 HD1 HIS 694 -7.874 11.000 -53.220 783 HD2 HIS 694 HD2 HIS 694 -6.013 13.556 -50.518 784 HE1 HIS 694 HE1 HIS 694 -5.421 10.398 -53.220 785 H HIS 695 H HIS 695 -9.926 10.016 -49.348 786 HA HIS 695 HA HIS 695 -9.589 8.279 -51.621 787 HB2 HIS 695 1HB HIS 695 -10.749 7.774 -48.857 788 HB3 HIS 695 2HB HIS 695 -10.366 6.513 -50.037 789 HD1 HIS 695 HD1 HIS 695 -8.937 6.451 -47.314 790 HD2 HIS 695 HD2 HIS 695 -7.430 8.417 -50.655 791 HE1 HIS 695 HE1 HIS 695 -6.443 6.661 -46.973 792 H HIS 696 H HIS 696 -11.046 7.383 -52.970 793 HA HIS 696 HA HIS 696 -13.934 7.520 -52.463 794 HB2 HIS 696 1HB HIS 696 -14.397 8.790 -54.511 795 HB3 HIS 696 2HB HIS 696 -13.451 9.771 -53.388 796 HD1 HIS 696 HD1 HIS 696 -10.926 10.248 -54.059 797 HD2 HIS 696 HD2 HIS 696 -13.163 8.222 -56.923 798 HE1 HIS 696 HE1 HIS 696 -9.615 10.356 -56.213 799 H HIS 697 H HIS 697 -14.897 6.729 -54.815 800 HA HIS 697 HA HIS 697 -13.126 4.810 -56.152 801 HB2 HIS 697 1HB HIS 697 -14.536 2.894 -55.729 802 HB3 HIS 697 2HB HIS 697 -14.046 3.542 -54.158 803 HD1 HIS 697 HD1 HIS 697 -17.037 3.911 -56.565 804 HD2 HIS 697 HD2 HIS 697 -16.200 3.833 -52.476 805 HE1 HIS 697 HE1 HIS 697 -19.267 4.063 -55.374 Start of MODEL 19 1 H1 MET 595 1H MET 595 6.095 0.078 -1.709 2 H2 MET 595 2H MET 595 5.521 -1.270 -0.953 3 H3 MET 595 3H MET 595 6.744 -1.399 -2.053 4 HA MET 595 HA MET 595 3.985 -0.558 -2.634 5 HB2 MET 595 1HB MET 595 4.623 -0.483 -4.954 6 HB3 MET 595 2HB MET 595 5.708 0.556 -4.030 7 HG2 MET 595 1HG MET 595 7.424 -1.264 -4.072 8 HG3 MET 595 2HG MET 595 6.330 -2.224 -5.094 9 HE1 MET 595 1HE MET 595 8.872 -1.097 -7.829 10 HE2 MET 595 2HE MET 595 9.218 -1.676 -6.183 11 HE3 MET 595 3HE MET 595 7.942 -2.452 -7.152 12 H GLN 596 H GLN 596 5.670 -3.187 -1.540 13 HA GLN 596 HA GLN 596 5.272 -5.199 -3.411 14 HB2 GLN 596 1HB GLN 596 5.003 -5.406 -0.392 15 HB3 GLN 596 2HB GLN 596 5.269 -6.749 -1.503 16 HG2 GLN 596 1HG GLN 596 7.433 -6.432 -0.900 17 HG3 GLN 596 2HG GLN 596 7.390 -5.231 -2.196 18 HE21 GLN 596 1HE2 GLN 596 8.328 -4.113 1.516 19 HE22 GLN 596 2HE2 GLN 596 8.308 -5.761 0.937 20 HA PRO 597 HA PRO 597 1.014 -6.321 -2.063 21 HB2 PRO 597 1HB PRO 597 -0.679 -4.805 -0.625 22 HB3 PRO 597 2HB PRO 597 0.643 -5.720 0.169 23 HG2 PRO 597 1HG PRO 597 0.570 -2.835 -0.659 24 HG3 PRO 597 2HG PRO 597 0.993 -3.538 0.932 25 HD2 PRO 597 1HD PRO 597 2.870 -2.848 -0.933 26 HD3 PRO 597 2HD PRO 597 3.097 -4.221 0.203 27 H VAL 598 H VAL 598 1.804 -3.459 -3.668 28 HA VAL 598 HA VAL 598 -0.880 -3.402 -4.961 29 HB VAL 598 HB VAL 598 -1.141 -1.399 -3.868 30 HG11 VAL 598 1HG1 VAL 598 0.717 0.136 -3.208 31 HG12 VAL 598 2HG1 VAL 598 0.832 -1.471 -2.484 32 HG13 VAL 598 3HG1 VAL 598 1.875 -1.043 -3.865 33 HG21 VAL 598 1HG2 VAL 598 0.695 -0.374 -6.087 34 HG22 VAL 598 2HG2 VAL 598 -0.989 -0.873 -6.344 35 HG23 VAL 598 3HG2 VAL 598 -0.623 0.501 -5.288 36 H ARG 599 H ARG 599 -0.829 -3.797 -7.005 37 HA ARG 599 HA ARG 599 1.726 -3.730 -8.465 38 HB2 ARG 599 1HB ARG 599 0.332 -4.618 -10.346 39 HB3 ARG 599 2HB ARG 599 0.301 -5.626 -8.897 40 HG2 ARG 599 1HG ARG 599 -1.907 -5.149 -8.412 41 HG3 ARG 599 2HG ARG 599 -1.863 -3.581 -9.229 42 HD2 ARG 599 1HD ARG 599 -1.743 -6.223 -10.702 43 HD3 ARG 599 2HD ARG 599 -3.240 -5.316 -10.389 44 HE ARG 599 HE ARG 599 -1.220 -3.640 -11.609 45 HH11 ARG 599 1HH1 ARG 599 -3.701 -6.033 -12.423 46 HH12 ARG 599 2HH1 ARG 599 -3.849 -5.429 -14.051 47 HH21 ARG 599 1HH2 ARG 599 -1.434 -2.979 -13.650 48 HH22 ARG 599 2HH2 ARG 599 -2.600 -3.715 -14.735 49 H GLU 600 H GLU 600 2.057 -2.555 -10.376 50 HA GLU 600 HA GLU 600 1.109 0.161 -10.327 51 HB2 GLU 600 1HB GLU 600 2.778 -1.516 -12.218 52 HB3 GLU 600 2HB GLU 600 2.270 0.111 -12.656 53 HG2 GLU 600 1HG GLU 600 3.292 0.926 -10.497 54 HG3 GLU 600 2HG GLU 600 4.001 -0.687 -10.312 55 HA PRO 601 HA PRO 601 -2.536 -0.225 -12.661 56 HB2 PRO 601 1HB PRO 601 -2.631 2.023 -14.227 57 HB3 PRO 601 2HB PRO 601 -2.824 2.045 -12.450 58 HG2 PRO 601 1HG PRO 601 -0.386 2.576 -14.074 59 HG3 PRO 601 2HG PRO 601 -1.088 3.545 -12.753 60 HD2 PRO 601 1HD PRO 601 0.971 1.862 -12.359 61 HD3 PRO 601 2HD PRO 601 -0.311 2.069 -11.130 62 H SER 602 H SER 602 -3.595 -0.512 -14.657 63 HA SER 602 HA SER 602 -1.982 -1.951 -16.607 64 HB2 SER 602 1HB SER 602 -4.950 -1.267 -16.569 65 HB3 SER 602 2HB SER 602 -4.165 -2.433 -17.651 66 HG SER 602 HG SER 602 -4.957 -2.713 -15.048 67 H ALA 603 H ALA 603 -1.988 -1.480 -18.885 68 HA ALA 603 HA ALA 603 -1.433 1.190 -19.560 69 HB1 ALA 603 1HB ALA 603 -2.449 -0.993 -21.445 70 HB2 ALA 603 2HB ALA 603 -1.458 0.418 -21.878 71 HB3 ALA 603 3HB ALA 603 -0.766 -0.876 -20.878 72 HA PRO 604 HA PRO 604 -5.444 2.893 -19.823 73 HB2 PRO 604 1HB PRO 604 -5.167 4.903 -21.668 74 HB3 PRO 604 2HB PRO 604 -4.451 4.985 -20.026 75 HG2 PRO 604 1HG PRO 604 -3.195 4.145 -22.584 76 HG3 PRO 604 2HG PRO 604 -2.620 5.319 -21.368 77 HD2 PRO 604 1HD PRO 604 -1.690 2.813 -21.437 78 HD3 PRO 604 2HD PRO 604 -1.999 3.650 -19.874 79 H LYS 605 H LYS 605 -7.307 3.177 -21.119 80 HA LYS 605 HA LYS 605 -7.499 1.066 -23.161 81 HB2 LYS 605 1HB LYS 605 -9.586 2.973 -21.996 82 HB3 LYS 605 2HB LYS 605 -9.921 1.615 -23.072 83 HG2 LYS 605 1HG LYS 605 -10.403 0.609 -21.059 84 HG3 LYS 605 2HG LYS 605 -8.687 0.201 -21.179 85 HD2 LYS 605 1HD LYS 605 -8.850 2.764 -19.909 86 HD3 LYS 605 2HD LYS 605 -10.069 1.742 -19.142 87 HE2 LYS 605 1HE LYS 605 -7.226 0.739 -19.562 88 HE3 LYS 605 2HE LYS 605 -7.635 1.764 -18.184 89 HZ1 LYS 605 1HZ LYS 605 -7.869 -0.358 -17.373 90 HZ2 LYS 605 2HZ LYS 605 -8.598 -0.948 -18.742 91 HZ3 LYS 605 3HZ LYS 605 -9.432 0.051 -17.725 92 H LEU 606 H LEU 606 -8.610 1.591 -25.293 93 HA LEU 606 HA LEU 606 -8.512 4.385 -26.123 94 HB2 LEU 606 1HB LEU 606 -6.133 3.685 -26.348 95 HB3 LEU 606 2HB LEU 606 -6.619 2.354 -27.380 96 HG LEU 606 HG LEU 606 -5.593 4.473 -28.424 97 HD11 LEU 606 1HD1 LEU 606 -8.184 3.420 -29.618 98 HD12 LEU 606 2HD1 LEU 606 -6.581 2.684 -29.785 99 HD13 LEU 606 3HD1 LEU 606 -6.901 4.285 -30.482 100 HD21 LEU 606 1HD2 LEU 606 -7.117 6.274 -29.013 101 HD22 LEU 606 2HD2 LEU 606 -7.009 6.100 -27.252 102 HD23 LEU 606 3HD2 LEU 606 -8.436 5.502 -28.116 103 H GLU 607 H GLU 607 -10.379 4.528 -27.188 104 HA GLU 607 HA GLU 607 -11.160 2.214 -28.895 105 HB2 GLU 607 1HB GLU 607 -13.115 4.187 -27.761 106 HB3 GLU 607 2HB GLU 607 -13.415 2.572 -28.389 107 HG2 GLU 607 1HG GLU 607 -12.138 3.361 -25.743 108 HG3 GLU 607 2HG GLU 607 -13.687 2.556 -25.982 109 H GLY 608 H GLY 608 -9.875 5.240 -29.126 110 HA2 GLY 608 1HA GLY 608 -9.569 6.660 -30.880 111 HA3 GLY 608 2HA GLY 608 -10.057 5.313 -31.889 112 H GLN 609 H GLN 609 -11.840 7.726 -29.794 113 HA GLN 609 HA GLN 609 -14.000 7.759 -31.786 114 HB2 GLN 609 1HB GLN 609 -13.406 9.230 -29.214 115 HB3 GLN 609 2HB GLN 609 -14.740 9.725 -30.259 116 HG2 GLN 609 1HG GLN 609 -15.532 8.297 -28.441 117 HG3 GLN 609 2HG GLN 609 -15.797 7.545 -30.021 118 HE21 GLN 609 1HE2 GLN 609 -14.236 4.623 -29.092 119 HE22 GLN 609 2HE2 GLN 609 -15.485 5.457 -29.980 120 H MET 610 H MET 610 -13.654 8.776 -33.660 121 HA MET 610 HA MET 610 -11.577 10.629 -34.111 122 HB2 MET 610 1HB MET 610 -12.539 10.967 -36.276 123 HB3 MET 610 2HB MET 610 -12.694 9.262 -35.843 124 HG2 MET 610 1HG MET 610 -15.076 9.642 -35.258 125 HG3 MET 610 2HG MET 610 -14.902 11.344 -35.736 126 HE1 MET 610 1HE MET 610 -15.525 7.697 -36.879 127 HE2 MET 610 2HE MET 610 -15.003 7.681 -38.579 128 HE3 MET 610 3HE MET 610 -13.791 7.766 -37.280 129 H GLY 611 H GLY 611 -11.485 12.826 -34.493 130 HA2 GLY 611 1HA GLY 611 -13.427 14.367 -32.906 131 HA3 GLY 611 2HA GLY 611 -11.880 14.935 -33.536 132 H GLU 612 H GLU 612 -15.255 14.380 -34.218 133 HA GLU 612 HA GLU 612 -15.345 15.263 -36.956 134 HB2 GLU 612 1HB GLU 612 -17.139 14.082 -35.614 135 HB3 GLU 612 2HB GLU 612 -17.405 15.590 -34.735 136 HG2 GLU 612 1HG GLU 612 -18.040 16.690 -36.868 137 HG3 GLU 612 2HG GLU 612 -17.821 15.141 -37.706 138 H ASP 613 H ASP 613 -14.888 16.689 -33.898 139 HA ASP 613 HA ASP 613 -15.549 19.407 -34.196 140 HB2 ASP 613 1HB ASP 613 -13.121 18.308 -32.774 141 HB3 ASP 613 2HB ASP 613 -14.081 19.692 -32.296 142 H GLY 614 H GLY 614 -13.077 17.580 -35.762 143 HA2 GLY 614 1HA GLY 614 -11.534 18.234 -37.339 144 HA3 GLY 614 2HA GLY 614 -12.061 19.911 -37.150 145 H ASN 615 H ASN 615 -9.330 18.594 -37.343 146 HA ASN 615 HA ASN 615 -7.235 18.922 -36.478 147 HB2 ASN 615 1HB ASN 615 -8.464 21.310 -36.627 148 HB3 ASN 615 2HB ASN 615 -8.193 21.287 -34.882 149 HD21 ASN 615 1HD2 ASN 615 -4.614 21.384 -35.261 150 HD22 ASN 615 2HD2 ASN 615 -5.872 20.613 -34.306 151 H SER 616 H SER 616 -9.208 17.281 -34.847 152 HA SER 616 HA SER 616 -7.656 17.134 -32.361 153 HB2 SER 616 1HB SER 616 -9.754 17.450 -30.999 154 HB3 SER 616 2HB SER 616 -9.150 18.903 -31.806 155 HG SER 616 HG SER 616 -10.681 18.575 -33.446 156 H ILE 617 H ILE 617 -8.703 15.477 -30.818 157 HA ILE 617 HA ILE 617 -10.515 13.511 -32.012 158 HB ILE 617 HB ILE 617 -8.266 12.891 -32.973 159 HG12 ILE 617 1HG1 ILE 617 -9.058 10.674 -31.106 160 HG13 ILE 617 2HG1 ILE 617 -10.254 11.311 -32.226 161 HG21 ILE 617 1HG2 ILE 617 -6.866 13.549 -30.986 162 HG22 ILE 617 2HG2 ILE 617 -7.508 12.146 -30.106 163 HG23 ILE 617 3HG2 ILE 617 -6.524 11.911 -31.567 164 HD11 ILE 617 1HD1 ILE 617 -7.583 10.232 -33.065 165 HD12 ILE 617 2HD1 ILE 617 -9.111 9.321 -33.069 166 HD13 ILE 617 3HD1 ILE 617 -8.923 10.745 -34.112 167 H LYS 618 H LYS 618 -11.193 11.881 -30.421 168 HA LYS 618 HA LYS 618 -10.554 12.693 -27.599 169 HB2 LYS 618 1HB LYS 618 -12.978 11.135 -28.542 170 HB3 LYS 618 2HB LYS 618 -12.704 11.830 -26.957 171 HG2 LYS 618 1HG LYS 618 -14.162 13.382 -27.755 172 HG3 LYS 618 2HG LYS 618 -12.677 14.104 -28.388 173 HD2 LYS 618 1HD LYS 618 -13.290 13.724 -30.559 174 HD3 LYS 618 2HD LYS 618 -13.847 12.081 -30.202 175 HE2 LYS 618 1HE LYS 618 -15.741 13.345 -30.973 176 HE3 LYS 618 2HE LYS 618 -15.953 13.036 -29.243 177 HZ1 LYS 618 1HZ LYS 618 -15.087 15.347 -28.888 178 HZ2 LYS 618 2HZ LYS 618 -16.533 15.287 -29.679 179 HZ3 LYS 618 3HZ LYS 618 -15.156 15.592 -30.522 180 H VAL 619 H VAL 619 -9.599 11.119 -26.350 181 HA VAL 619 HA VAL 619 -9.578 8.339 -27.454 182 HB VAL 619 HB VAL 619 -7.346 8.402 -27.730 183 HG11 VAL 619 1HG1 VAL 619 -7.322 11.154 -26.396 184 HG12 VAL 619 2HG1 VAL 619 -5.960 10.420 -27.263 185 HG13 VAL 619 3HG1 VAL 619 -7.448 10.813 -28.140 186 HG21 VAL 619 1HG2 VAL 619 -5.819 8.460 -25.792 187 HG22 VAL 619 2HG2 VAL 619 -7.131 9.064 -24.762 188 HG23 VAL 619 3HG2 VAL 619 -7.235 7.441 -25.468 189 H ASN 620 H ASN 620 -9.865 6.739 -25.919 190 HA ASN 620 HA ASN 620 -11.372 7.588 -23.608 191 HB2 ASN 620 1HB ASN 620 -10.847 5.134 -25.085 192 HB3 ASN 620 2HB ASN 620 -10.783 4.857 -23.342 193 HD21 ASN 620 1HD2 ASN 620 -14.291 5.835 -25.155 194 HD22 ASN 620 2HD2 ASN 620 -12.789 6.050 -25.997 195 H LEU 621 H LEU 621 -10.965 7.227 -21.412 196 HA LEU 621 HA LEU 621 -8.110 6.680 -20.764 197 HB2 LEU 621 1HB LEU 621 -9.364 9.101 -20.628 198 HB3 LEU 621 2HB LEU 621 -9.621 8.511 -19.005 199 HG LEU 621 HG LEU 621 -7.319 8.586 -18.522 200 HD11 LEU 621 1HD1 LEU 621 -6.817 8.834 -21.504 201 HD12 LEU 621 2HD1 LEU 621 -6.226 7.578 -20.398 202 HD13 LEU 621 3HD1 LEU 621 -5.594 9.227 -20.271 203 HD21 LEU 621 1HD2 LEU 621 -6.775 10.946 -19.185 204 HD22 LEU 621 2HD2 LEU 621 -8.430 10.734 -18.587 205 HD23 LEU 621 3HD2 LEU 621 -8.129 10.891 -20.326 206 H ILE 622 H ILE 622 -8.037 6.481 -18.209 207 HA ILE 622 HA ILE 622 -9.336 4.015 -17.544 208 HB ILE 622 HB ILE 622 -7.594 6.010 -16.143 209 HG12 ILE 622 1HG1 ILE 622 -6.267 3.924 -15.645 210 HG13 ILE 622 2HG1 ILE 622 -7.410 3.050 -16.658 211 HG21 ILE 622 1HG2 ILE 622 -7.656 4.643 -14.041 212 HG22 ILE 622 2HG2 ILE 622 -9.114 5.595 -14.340 213 HG23 ILE 622 3HG2 ILE 622 -9.095 3.855 -14.676 214 HD11 ILE 622 1HD1 ILE 622 -6.717 4.266 -18.602 215 HD12 ILE 622 2HD1 ILE 622 -5.756 5.392 -17.617 216 HD13 ILE 622 3HD1 ILE 622 -5.261 3.693 -17.756 217 H LYS 623 H LYS 623 -11.317 3.671 -16.826 218 HA LYS 623 HA LYS 623 -12.690 5.791 -15.269 219 HB2 LYS 623 1HB LYS 623 -14.807 5.060 -16.217 220 HB3 LYS 623 2HB LYS 623 -13.690 5.574 -17.471 221 HG2 LYS 623 1HG LYS 623 -13.856 2.634 -16.834 222 HG3 LYS 623 2HG LYS 623 -15.185 3.385 -17.729 223 HD2 LYS 623 1HD LYS 623 -12.342 3.725 -18.694 224 HD3 LYS 623 2HD LYS 623 -13.270 2.264 -19.052 225 HE2 LYS 623 1HE LYS 623 -13.836 3.509 -20.882 226 HE3 LYS 623 2HE LYS 623 -15.133 3.990 -19.771 227 HZ1 LYS 623 1HZ LYS 623 -14.141 6.051 -19.438 228 HZ2 LYS 623 2HZ LYS 623 -13.890 5.795 -21.048 229 HZ3 LYS 623 3HZ LYS 623 -12.650 5.573 -19.980 230 H GLN 624 H GLN 624 -11.056 3.260 -14.561 231 HA GLN 624 HA GLN 624 -12.884 2.256 -12.472 232 HB2 GLN 624 1HB GLN 624 -12.749 -0.029 -13.135 233 HB3 GLN 624 2HB GLN 624 -13.254 0.857 -14.573 234 HG2 GLN 624 1HG GLN 624 -10.424 -0.148 -14.015 235 HG3 GLN 624 2HG GLN 624 -11.595 -0.933 -15.067 236 HE21 GLN 624 1HE2 GLN 624 -9.321 2.148 -16.387 237 HE22 GLN 624 2HE2 GLN 624 -9.289 1.641 -14.719 238 H ASP 625 H ASP 625 -11.490 0.562 -11.057 239 HA ASP 625 HA ASP 625 -8.828 1.777 -10.724 240 HB2 ASP 625 1HB ASP 625 -8.607 0.270 -8.821 241 HB3 ASP 625 2HB ASP 625 -10.147 1.140 -8.735 242 H ASP 626 H ASP 626 -6.899 0.815 -11.309 243 HA ASP 626 HA ASP 626 -7.174 -1.570 -13.099 244 HB2 ASP 626 1HB ASP 626 -5.118 0.653 -12.973 245 HB3 ASP 626 2HB ASP 626 -5.048 -0.736 -14.073 246 H GLY 627 H GLY 627 -6.121 -0.959 -9.987 247 HA2 GLY 627 1HA GLY 627 -4.432 -3.287 -9.995 248 HA3 GLY 627 2HA GLY 627 -3.478 -1.802 -9.950 249 H GLY 628 H GLY 628 -2.781 -1.377 -8.043 250 HA2 GLY 628 1HA GLY 628 -4.431 -2.311 -5.721 251 HA3 GLY 628 2HA GLY 628 -2.691 -2.090 -5.707 252 H SER 629 H SER 629 -4.003 0.565 -7.261 253 HA SER 629 HA SER 629 -4.826 2.043 -4.872 254 HB2 SER 629 1HB SER 629 -2.276 2.786 -6.380 255 HB3 SER 629 2HB SER 629 -3.108 3.835 -5.219 256 HG SER 629 HG SER 629 -2.717 1.408 -4.128 257 HA PRO 630 HA PRO 630 -7.016 3.814 -8.250 258 HB2 PRO 630 1HB PRO 630 -7.733 6.293 -7.356 259 HB3 PRO 630 2HB PRO 630 -8.447 4.793 -6.679 260 HG2 PRO 630 1HG PRO 630 -6.147 6.432 -5.625 261 HG3 PRO 630 2HG PRO 630 -7.617 5.871 -4.763 262 HD2 PRO 630 1HD PRO 630 -5.290 4.522 -4.585 263 HD3 PRO 630 2HD PRO 630 -6.861 3.649 -4.682 264 H ILE 631 H ILE 631 -6.807 5.286 -9.984 265 HA ILE 631 HA ILE 631 -4.131 6.128 -10.542 266 HB ILE 631 HB ILE 631 -6.765 6.189 -11.948 267 HG12 ILE 631 1HG1 ILE 631 -5.220 5.570 -13.873 268 HG13 ILE 631 2HG1 ILE 631 -3.873 5.627 -12.737 269 HG21 ILE 631 1HG2 ILE 631 -4.517 8.088 -12.774 270 HG22 ILE 631 2HG2 ILE 631 -5.979 7.712 -13.691 271 HG23 ILE 631 3HG2 ILE 631 -6.122 8.567 -12.167 272 HD11 ILE 631 1HD1 ILE 631 -4.753 3.749 -11.503 273 HD12 ILE 631 2HD1 ILE 631 -6.264 3.781 -12.447 274 HD13 ILE 631 3HD1 ILE 631 -4.735 3.344 -13.235 275 H ARG 632 H ARG 632 -3.254 8.202 -10.639 276 HA ARG 632 HA ARG 632 -4.679 10.219 -8.941 277 HB2 ARG 632 1HB ARG 632 -1.799 9.479 -9.378 278 HB3 ARG 632 2HB ARG 632 -2.196 11.170 -9.080 279 HG2 ARG 632 1HG ARG 632 -3.293 10.539 -6.924 280 HG3 ARG 632 2HG ARG 632 -2.812 8.834 -7.160 281 HD2 ARG 632 1HD ARG 632 -1.267 10.101 -5.655 282 HD3 ARG 632 2HD ARG 632 -0.465 9.429 -7.075 283 HE ARG 632 HE ARG 632 -0.982 12.298 -6.550 284 HH11 ARG 632 1HH1 ARG 632 0.546 9.842 -8.585 285 HH12 ARG 632 2HH1 ARG 632 1.452 11.031 -9.496 286 HH21 ARG 632 1HH2 ARG 632 0.290 13.736 -7.710 287 HH22 ARG 632 2HH2 ARG 632 1.354 13.155 -8.965 288 H HIS 633 H HIS 633 -2.659 9.851 -11.920 289 HA HIS 633 HA HIS 633 -4.118 12.134 -13.134 290 HB2 HIS 633 1HB HIS 633 -1.086 12.046 -12.864 291 HB3 HIS 633 2HB HIS 633 -1.992 13.214 -13.825 292 HD1 HIS 633 HD1 HIS 633 -3.743 14.756 -12.310 293 HD2 HIS 633 HD2 HIS 633 -0.604 12.867 -10.359 294 HE1 HIS 633 HE1 HIS 633 -3.484 15.907 -10.077 295 H TYR 634 H TYR 634 -3.329 12.524 -15.408 296 HA TYR 634 HA TYR 634 -2.357 10.023 -16.739 297 HB2 TYR 634 1HB TYR 634 -4.404 11.996 -17.808 298 HB3 TYR 634 2HB TYR 634 -3.821 10.531 -18.617 299 HD1 TYR 634 HD1 TYR 634 -6.351 11.901 -16.521 300 HD2 TYR 634 HD2 TYR 634 -4.157 8.292 -17.300 301 HE1 TYR 634 HE1 TYR 634 -8.141 10.577 -15.425 302 HE2 TYR 634 HE2 TYR 634 -5.915 6.997 -16.130 303 HH TYR 634 HH TYR 634 -8.920 8.600 -14.881 304 H LEU 635 H LEU 635 -0.979 10.346 -18.462 305 HA LEU 635 HA LEU 635 -0.147 13.174 -18.997 306 HB2 LEU 635 1HB LEU 635 1.728 10.807 -18.890 307 HB3 LEU 635 2HB LEU 635 2.165 12.496 -19.003 308 HG LEU 635 HG LEU 635 0.892 11.203 -16.554 309 HD11 LEU 635 1HD1 LEU 635 3.816 11.805 -17.108 310 HD12 LEU 635 2HD1 LEU 635 3.066 10.189 -17.032 311 HD13 LEU 635 3HD1 LEU 635 3.132 11.204 -15.575 312 HD21 LEU 635 1HD2 LEU 635 2.398 13.834 -16.781 313 HD22 LEU 635 2HD2 LEU 635 1.614 13.160 -15.335 314 HD23 LEU 635 3HD2 LEU 635 0.628 13.688 -16.710 315 H VAL 636 H VAL 636 -0.144 13.586 -21.192 316 HA VAL 636 HA VAL 636 -0.213 11.223 -23.040 317 HB VAL 636 HB VAL 636 -1.672 13.842 -23.564 318 HG11 VAL 636 1HG1 VAL 636 -1.250 12.529 -25.558 319 HG12 VAL 636 2HG1 VAL 636 -1.859 11.056 -24.770 320 HG13 VAL 636 3HG1 VAL 636 -2.968 12.387 -25.144 321 HG21 VAL 636 1HG2 VAL 636 -2.739 12.983 -21.573 322 HG22 VAL 636 2HG2 VAL 636 -3.778 12.563 -22.947 323 HG23 VAL 636 3HG2 VAL 636 -2.737 11.325 -22.220 324 H ARG 637 H ARG 637 1.128 11.281 -24.800 325 HA ARG 637 HA ARG 637 2.619 13.846 -25.335 326 HB2 ARG 637 1HB ARG 637 3.897 12.043 -24.022 327 HB3 ARG 637 2HB ARG 637 3.717 11.004 -25.435 328 HG2 ARG 637 1HG ARG 637 4.884 12.945 -26.717 329 HG3 ARG 637 2HG ARG 637 5.346 13.518 -25.112 330 HD2 ARG 637 1HD ARG 637 7.154 12.180 -25.896 331 HD3 ARG 637 2HD ARG 637 6.306 11.211 -24.675 332 HE ARG 637 HE ARG 637 5.221 10.611 -27.238 333 HH11 ARG 637 1HH1 ARG 637 8.229 10.096 -25.471 334 HH12 ARG 637 2HH1 ARG 637 8.613 8.649 -26.363 335 HH21 ARG 637 1HH2 ARG 637 5.772 8.754 -28.332 336 HH22 ARG 637 2HH2 ARG 637 7.236 7.898 -27.943 337 H TYR 638 H TYR 638 2.467 14.370 -27.579 338 HA TYR 638 HA TYR 638 1.925 12.138 -29.447 339 HB2 TYR 638 1HB TYR 638 -0.042 13.175 -30.434 340 HB3 TYR 638 2HB TYR 638 -0.312 12.779 -28.737 341 HD1 TYR 638 HD1 TYR 638 -0.682 15.283 -31.234 342 HD2 TYR 638 HD2 TYR 638 0.060 14.798 -27.017 343 HE1 TYR 638 HE1 TYR 638 -1.503 17.609 -30.806 344 HE2 TYR 638 HE2 TYR 638 -0.708 17.117 -26.627 345 HH TYR 638 HH TYR 638 -1.594 18.999 -27.511 346 H ARG 639 H ARG 639 2.130 12.663 -31.688 347 HA ARG 639 HA ARG 639 3.546 15.215 -32.324 348 HB2 ARG 639 1HB ARG 639 5.393 13.902 -31.676 349 HB3 ARG 639 2HB ARG 639 4.725 12.426 -32.328 350 HG2 ARG 639 1HG ARG 639 5.397 14.545 -34.295 351 HG3 ARG 639 2HG ARG 639 6.746 13.782 -33.456 352 HD2 ARG 639 1HD ARG 639 6.362 11.724 -34.387 353 HD3 ARG 639 2HD ARG 639 4.614 11.988 -34.518 354 HE ARG 639 HE ARG 639 5.820 13.799 -36.289 355 HH11 ARG 639 1HH1 ARG 639 5.521 10.269 -35.975 356 HH12 ARG 639 2HH1 ARG 639 5.645 10.039 -37.708 357 HH21 ARG 639 1HH2 ARG 639 5.983 13.404 -38.447 358 HH22 ARG 639 2HH2 ARG 639 5.904 11.778 -39.077 359 H ALA 640 H ALA 640 3.527 15.599 -34.605 360 HA ALA 640 HA ALA 640 1.798 13.755 -36.198 361 HB1 ALA 640 1HB ALA 640 1.513 16.779 -36.253 362 HB2 ALA 640 2HB ALA 640 0.430 15.545 -36.926 363 HB3 ALA 640 3HB ALA 640 0.534 15.758 -35.170 364 H LEU 641 H LEU 641 1.879 14.676 -38.635 365 HA LEU 641 HA LEU 641 4.652 14.606 -39.411 366 HB2 LEU 641 1HB LEU 641 2.029 14.914 -40.746 367 HB3 LEU 641 2HB LEU 641 3.353 15.768 -41.536 368 HG LEU 641 HG LEU 641 4.656 13.615 -41.560 369 HD11 LEU 641 1HD1 LEU 641 3.404 11.496 -41.325 370 HD12 LEU 641 2HD1 LEU 641 1.973 12.402 -40.786 371 HD13 LEU 641 3HD1 LEU 641 3.440 12.391 -39.793 372 HD21 LEU 641 1HD2 LEU 641 3.435 12.698 -43.483 373 HD22 LEU 641 2HD2 LEU 641 3.456 14.473 -43.532 374 HD23 LEU 641 3HD2 LEU 641 1.985 13.614 -43.017 375 H SER 642 H SER 642 2.284 17.218 -38.941 376 HA SER 642 HA SER 642 4.385 19.228 -39.565 377 HB2 SER 642 1HB SER 642 2.061 19.302 -40.581 378 HB3 SER 642 2HB SER 642 1.458 19.719 -38.964 379 HG SER 642 HG SER 642 3.041 21.474 -39.034 380 H SER 643 H SER 643 3.736 17.602 -36.798 381 HA SER 643 HA SER 643 4.330 20.019 -35.158 382 HB2 SER 643 1HB SER 643 2.177 17.982 -34.506 383 HB3 SER 643 2HB SER 643 2.748 19.259 -33.422 384 HG SER 643 HG SER 643 2.078 20.221 -35.879 385 H GLU 644 H GLU 644 5.588 19.763 -33.402 386 HA GLU 644 HA GLU 644 7.249 17.402 -33.342 387 HB2 GLU 644 1HB GLU 644 8.552 18.596 -31.814 388 HB3 GLU 644 2HB GLU 644 7.906 19.831 -32.885 389 HG2 GLU 644 1HG GLU 644 6.795 19.201 -30.097 390 HG3 GLU 644 2HG GLU 644 7.991 20.449 -30.429 391 H TRP 645 H TRP 645 7.834 16.400 -31.145 392 HA TRP 645 HA TRP 645 5.549 15.107 -29.992 393 HB2 TRP 645 1HB TRP 645 8.477 15.288 -29.249 394 HB3 TRP 645 2HB TRP 645 7.307 14.544 -28.154 395 HD1 TRP 645 HD1 TRP 645 9.522 13.625 -30.944 396 HE1 TRP 645 HE1 TRP 645 9.015 11.302 -31.857 397 HE3 TRP 645 HE3 TRP 645 4.960 12.987 -28.737 398 HZ2 TRP 645 HZ2 TRP 645 6.903 9.394 -31.647 399 HZ3 TRP 645 HZ3 TRP 645 3.714 10.850 -29.141 400 HH2 TRP 645 HH2 TRP 645 4.700 9.082 -30.591 401 H LYS 646 H LYS 646 4.067 16.424 -29.107 402 HA LYS 646 HA LYS 646 4.700 18.625 -27.350 403 HB2 LYS 646 1HB LYS 646 2.176 16.924 -27.378 404 HB3 LYS 646 2HB LYS 646 2.321 18.588 -26.798 405 HG2 LYS 646 1HG LYS 646 2.643 17.676 -29.697 406 HG3 LYS 646 2HG LYS 646 1.199 18.411 -29.020 407 HD2 LYS 646 1HD LYS 646 2.288 20.511 -28.688 408 HD3 LYS 646 2HD LYS 646 3.877 19.809 -29.039 409 HE2 LYS 646 1HE LYS 646 3.080 21.061 -30.971 410 HE3 LYS 646 2HE LYS 646 3.218 19.338 -31.339 411 HZ1 LYS 646 1HZ LYS 646 0.817 19.143 -31.072 412 HZ2 LYS 646 2HZ LYS 646 1.180 20.259 -32.228 413 HZ3 LYS 646 3HZ LYS 646 0.685 20.750 -30.735 414 HA PRO 647 HA PRO 647 6.254 15.864 -24.391 415 HB2 PRO 647 1HB PRO 647 6.548 17.423 -22.161 416 HB3 PRO 647 2HB PRO 647 7.544 17.615 -23.640 417 HG2 PRO 647 1HG PRO 647 5.089 19.155 -22.815 418 HG3 PRO 647 2HG PRO 647 6.675 19.773 -23.376 419 HD2 PRO 647 1HD PRO 647 4.549 19.523 -25.053 420 HD3 PRO 647 2HD PRO 647 6.237 19.208 -25.604 421 H GLU 648 H GLU 648 3.591 17.785 -22.846 422 HA GLU 648 HA GLU 648 2.465 15.267 -21.822 423 HB2 GLU 648 1HB GLU 648 4.160 16.022 -20.107 424 HB3 GLU 648 2HB GLU 648 3.279 17.547 -19.979 425 HG2 GLU 648 1HG GLU 648 1.223 16.053 -19.387 426 HG3 GLU 648 2HG GLU 648 2.417 14.790 -19.090 427 H ILE 649 H ILE 649 0.289 15.390 -21.801 428 HA ILE 649 HA ILE 649 -0.952 18.085 -21.477 429 HB ILE 649 HB ILE 649 -2.208 15.583 -22.677 430 HG12 ILE 649 1HG1 ILE 649 -0.555 16.519 -24.219 431 HG13 ILE 649 2HG1 ILE 649 -2.191 16.741 -24.817 432 HG21 ILE 649 1HG2 ILE 649 -3.298 18.416 -22.331 433 HG22 ILE 649 2HG2 ILE 649 -4.105 17.119 -23.245 434 HG23 ILE 649 3HG2 ILE 649 -3.852 16.950 -21.498 435 HD11 ILE 649 1HD1 ILE 649 -2.154 19.128 -24.197 436 HD12 ILE 649 2HD1 ILE 649 -0.534 18.936 -23.484 437 HD13 ILE 649 3HD1 ILE 649 -0.765 18.737 -25.227 438 H ARG 650 H ARG 650 -1.447 18.297 -19.451 439 HA ARG 650 HA ARG 650 -1.421 16.192 -17.497 440 HB2 ARG 650 1HB ARG 650 -2.126 17.933 -15.960 441 HB3 ARG 650 2HB ARG 650 -1.069 18.736 -17.125 442 HG2 ARG 650 1HG ARG 650 -3.233 19.427 -18.419 443 HG3 ARG 650 2HG ARG 650 -4.207 18.832 -17.062 444 HD2 ARG 650 1HD ARG 650 -2.037 21.024 -16.937 445 HD3 ARG 650 2HD ARG 650 -3.786 21.303 -16.950 446 HE ARG 650 HE ARG 650 -2.131 20.343 -14.714 447 HH11 ARG 650 1HH1 ARG 650 -5.432 20.811 -15.892 448 HH12 ARG 650 2HH1 ARG 650 -6.108 20.774 -14.285 449 HH21 ARG 650 1HH2 ARG 650 -3.070 20.285 -12.705 450 HH22 ARG 650 2HH2 ARG 650 -4.792 20.474 -12.516 451 H LEU 651 H LEU 651 -3.173 14.952 -16.651 452 HA LEU 651 HA LEU 651 -5.670 16.394 -16.682 453 HB2 LEU 651 1HB LEU 651 -5.401 14.072 -18.438 454 HB3 LEU 651 2HB LEU 651 -6.783 14.005 -17.364 455 HG LEU 651 HG LEU 651 -7.886 15.083 -18.956 456 HD11 LEU 651 1HD1 LEU 651 -7.946 17.102 -17.594 457 HD12 LEU 651 2HD1 LEU 651 -7.632 17.642 -19.241 458 HD13 LEU 651 3HD1 LEU 651 -6.282 17.634 -18.053 459 HD21 LEU 651 1HD2 LEU 651 -7.021 15.825 -20.973 460 HD22 LEU 651 2HD2 LEU 651 -5.821 14.623 -20.451 461 HD23 LEU 651 3HD2 LEU 651 -5.487 16.355 -20.264 462 HA PRO 652 HA PRO 652 -5.871 14.599 -12.723 463 HB2 PRO 652 1HB PRO 652 -8.459 14.914 -12.000 464 HB3 PRO 652 2HB PRO 652 -7.439 16.364 -12.328 465 HG2 PRO 652 1HG PRO 652 -9.343 14.933 -14.177 466 HG3 PRO 652 2HG PRO 652 -9.336 16.638 -13.770 467 HD2 PRO 652 1HD PRO 652 -8.114 15.721 -15.990 468 HD3 PRO 652 2HD PRO 652 -7.385 17.055 -15.029 469 H SER 653 H SER 653 -6.881 12.765 -11.458 470 HA SER 653 HA SER 653 -7.291 10.408 -12.976 471 HB2 SER 653 1HB SER 653 -8.308 9.576 -10.790 472 HB3 SER 653 2HB SER 653 -6.679 10.271 -10.667 473 HG SER 653 HG SER 653 -8.114 11.056 -9.048 474 H GLY 654 H GLY 654 -9.518 12.893 -11.876 475 HA2 GLY 654 1HA GLY 654 -11.908 11.375 -12.497 476 HA3 GLY 654 2HA GLY 654 -11.814 13.073 -12.021 477 H SER 655 H SER 655 -10.427 11.288 -14.834 478 HA SER 655 HA SER 655 -12.242 12.861 -16.576 479 HB2 SER 655 1HB SER 655 -10.378 13.219 -18.197 480 HB3 SER 655 2HB SER 655 -10.206 14.135 -16.696 481 HG SER 655 HG SER 655 -8.713 12.567 -15.975 482 H ASP 656 H ASP 656 -13.430 11.395 -17.563 483 HA ASP 656 HA ASP 656 -12.775 8.562 -17.680 484 HB2 ASP 656 1HB ASP 656 -15.078 9.414 -17.451 485 HB3 ASP 656 2HB ASP 656 -14.942 10.258 -19.002 486 H HIS 657 H HIS 657 -12.430 11.273 -19.869 487 HA HIS 657 HA HIS 657 -10.972 9.593 -21.779 488 HB2 HIS 657 1HB HIS 657 -12.272 10.426 -23.699 489 HB3 HIS 657 2HB HIS 657 -13.270 9.441 -22.621 490 HD1 HIS 657 HD1 HIS 657 -12.770 13.062 -23.667 491 HD2 HIS 657 HD2 HIS 657 -15.413 10.708 -21.480 492 HE1 HIS 657 HE1 HIS 657 -14.769 14.514 -23.140 493 H VAL 658 H VAL 658 -9.913 11.059 -23.406 494 HA VAL 658 HA VAL 658 -9.500 13.814 -22.300 495 HB VAL 658 HB VAL 658 -7.517 12.724 -21.544 496 HG11 VAL 658 1HG1 VAL 658 -6.170 11.159 -22.919 497 HG12 VAL 658 2HG1 VAL 658 -7.807 10.551 -22.622 498 HG13 VAL 658 3HG1 VAL 658 -7.398 11.253 -24.200 499 HG21 VAL 658 1HG2 VAL 658 -5.710 13.638 -22.824 500 HG22 VAL 658 2HG2 VAL 658 -6.666 13.643 -24.320 501 HG23 VAL 658 3HG2 VAL 658 -7.069 14.758 -22.995 502 H MET 659 H MET 659 -9.360 15.390 -23.851 503 HA MET 659 HA MET 659 -9.591 14.452 -26.678 504 HB2 MET 659 1HB MET 659 -11.636 15.570 -25.898 505 HB3 MET 659 2HB MET 659 -10.689 16.974 -25.376 506 HG2 MET 659 1HG MET 659 -10.430 17.759 -27.498 507 HG3 MET 659 2HG MET 659 -10.318 16.135 -28.188 508 HE1 MET 659 1HE MET 659 -11.616 15.941 -30.034 509 HE2 MET 659 2HE MET 659 -13.218 16.651 -30.311 510 HE3 MET 659 3HE MET 659 -11.811 17.708 -30.132 511 H LEU 660 H LEU 660 -8.088 15.135 -28.055 512 HA LEU 660 HA LEU 660 -6.078 17.130 -27.041 513 HB2 LEU 660 1HB LEU 660 -5.821 14.968 -29.163 514 HB3 LEU 660 2HB LEU 660 -4.556 16.097 -28.690 515 HG LEU 660 HG LEU 660 -5.719 13.890 -26.955 516 HD11 LEU 660 1HD1 LEU 660 -3.034 14.224 -28.345 517 HD12 LEU 660 2HD1 LEU 660 -4.340 13.116 -28.832 518 HD13 LEU 660 3HD1 LEU 660 -3.508 12.878 -27.287 519 HD21 LEU 660 1HD2 LEU 660 -3.458 15.865 -26.429 520 HD22 LEU 660 2HD2 LEU 660 -3.841 14.454 -25.419 521 HD23 LEU 660 3HD2 LEU 660 -5.009 15.776 -25.557 522 H LYS 661 H LYS 661 -5.441 18.743 -28.535 523 HA LYS 661 HA LYS 661 -6.967 18.955 -31.082 524 HB2 LYS 661 1HB LYS 661 -8.031 20.315 -29.094 525 HB3 LYS 661 2HB LYS 661 -6.603 21.344 -29.231 526 HG2 LYS 661 1HG LYS 661 -7.650 22.521 -30.858 527 HG3 LYS 661 2HG LYS 661 -7.651 21.075 -31.871 528 HD2 LYS 661 1HD LYS 661 -9.806 20.404 -30.561 529 HD3 LYS 661 2HD LYS 661 -9.863 22.103 -30.066 530 HE2 LYS 661 1HE LYS 661 -10.070 22.856 -32.342 531 HE3 LYS 661 2HE LYS 661 -9.554 21.290 -32.982 532 HZ1 LYS 661 1HZ LYS 661 -11.664 20.350 -32.142 533 HZ2 LYS 661 2HZ LYS 661 -11.896 21.494 -33.298 534 HZ3 LYS 661 3HZ LYS 661 -12.173 21.859 -31.710 535 H SER 662 H SER 662 -5.733 21.100 -32.129 536 HA SER 662 HA SER 662 -3.777 21.787 -33.094 537 HB2 SER 662 1HB SER 662 -2.534 21.277 -30.372 538 HB3 SER 662 2HB SER 662 -1.931 22.359 -31.647 539 HG SER 662 HG SER 662 -3.106 23.521 -30.090 540 H LEU 663 H LEU 663 -4.347 19.387 -33.891 541 HA LEU 663 HA LEU 663 -1.732 18.031 -34.161 542 HB2 LEU 663 1HB LEU 663 -2.877 15.834 -33.938 543 HB3 LEU 663 2HB LEU 663 -2.844 16.761 -32.450 544 HG LEU 663 HG LEU 663 -5.285 17.463 -33.053 545 HD11 LEU 663 1HD1 LEU 663 -4.863 15.085 -34.861 546 HD12 LEU 663 2HD1 LEU 663 -5.612 16.640 -35.240 547 HD13 LEU 663 3HD1 LEU 663 -6.457 15.485 -34.195 548 HD21 LEU 663 1HD2 LEU 663 -4.556 14.630 -32.227 549 HD22 LEU 663 2HD2 LEU 663 -6.071 15.483 -31.853 550 HD23 LEU 663 3HD2 LEU 663 -4.542 16.064 -31.170 551 H ASP 664 H ASP 664 -1.814 16.614 -36.149 552 HA ASP 664 HA ASP 664 -2.963 18.157 -38.288 553 HB2 ASP 664 1HB ASP 664 -1.582 15.453 -38.219 554 HB3 ASP 664 2HB ASP 664 -2.140 16.232 -39.706 555 H TRP 665 H TRP 665 -4.706 17.831 -39.543 556 HA TRP 665 HA TRP 665 -6.401 15.445 -38.918 557 HB2 TRP 665 1HB TRP 665 -8.277 16.891 -39.812 558 HB3 TRP 665 2HB TRP 665 -7.580 17.374 -38.262 559 HD1 TRP 665 HD1 TRP 665 -6.055 19.614 -38.235 560 HE1 TRP 665 HE1 TRP 665 -5.969 21.665 -39.714 561 HE3 TRP 665 HE3 TRP 665 -8.563 17.671 -42.252 562 HZ2 TRP 665 HZ2 TRP 665 -6.834 22.383 -42.343 563 HZ3 TRP 665 HZ3 TRP 665 -8.926 19.132 -44.252 564 HH2 TRP 665 HH2 TRP 665 -8.052 21.466 -44.289 565 H ASN 666 H ASN 666 -4.799 17.301 -41.420 566 HA ASN 666 HA ASN 666 -6.017 15.616 -43.553 567 HB2 ASN 666 1HB ASN 666 -5.858 18.191 -43.682 568 HB3 ASN 666 2HB ASN 666 -4.115 17.962 -43.891 569 HD21 ASN 666 1HD2 ASN 666 -4.489 17.617 -47.298 570 HD22 ASN 666 2HD2 ASN 666 -3.596 18.230 -45.928 571 H ALA 667 H ALA 667 -3.791 15.031 -41.435 572 HA ALA 667 HA ALA 667 -2.070 13.473 -43.211 573 HB1 ALA 667 1HB ALA 667 -0.831 15.636 -43.187 574 HB2 ALA 667 2HB ALA 667 -0.926 15.685 -41.413 575 HB3 ALA 667 3HB ALA 667 0.029 14.425 -42.214 576 H GLU 668 H GLU 668 -0.622 12.139 -41.589 577 HA GLU 668 HA GLU 668 -2.470 11.388 -39.428 578 HB2 GLU 668 1HB GLU 668 -1.372 9.277 -39.387 579 HB3 GLU 668 2HB GLU 668 -1.735 9.723 -41.050 580 HG2 GLU 668 1HG GLU 668 0.627 10.417 -41.353 581 HG3 GLU 668 2HG GLU 668 0.970 9.762 -39.739 582 H TYR 669 H TYR 669 -1.770 10.754 -37.362 583 HA TYR 669 HA TYR 669 0.770 11.916 -36.399 584 HB2 TYR 669 1HB TYR 669 -0.403 13.194 -34.648 585 HB3 TYR 669 2HB TYR 669 -0.858 13.761 -36.257 586 HD1 TYR 669 HD1 TYR 669 -3.091 13.219 -37.208 587 HD2 TYR 669 HD2 TYR 669 -2.032 12.193 -33.167 588 HE1 TYR 669 HE1 TYR 669 -5.476 12.864 -36.676 589 HE2 TYR 669 HE2 TYR 669 -4.439 11.853 -32.636 590 HH TYR 669 HH TYR 669 -6.977 12.417 -35.104 591 H GLU 670 H GLU 670 1.193 11.245 -34.177 592 HA GLU 670 HA GLU 670 -0.202 8.677 -33.509 593 HB2 GLU 670 1HB GLU 670 1.982 7.849 -32.725 594 HB3 GLU 670 2HB GLU 670 2.011 8.243 -34.448 595 HG2 GLU 670 1HG GLU 670 3.088 10.434 -33.884 596 HG3 GLU 670 2HG GLU 670 3.170 9.914 -32.197 597 H VAL 671 H VAL 671 -0.619 8.282 -31.363 598 HA VAL 671 HA VAL 671 0.011 10.511 -29.449 599 HB VAL 671 HB VAL 671 -2.587 8.926 -29.692 600 HG11 VAL 671 1HG1 VAL 671 -2.156 9.474 -27.361 601 HG12 VAL 671 2HG1 VAL 671 -1.792 11.164 -27.788 602 HG13 VAL 671 3HG1 VAL 671 -3.444 10.527 -27.968 603 HG21 VAL 671 1HG2 VAL 671 -2.014 11.835 -30.368 604 HG22 VAL 671 2HG2 VAL 671 -2.463 10.542 -31.501 605 HG23 VAL 671 3HG2 VAL 671 -3.633 11.105 -30.298 606 H TYR 672 H TYR 672 0.909 9.828 -27.589 607 HA TYR 672 HA TYR 672 0.608 6.942 -26.800 608 HB2 TYR 672 1HB TYR 672 2.894 8.918 -26.501 609 HB3 TYR 672 2HB TYR 672 2.724 7.528 -25.419 610 HD1 TYR 672 HD1 TYR 672 3.522 5.400 -26.038 611 HD2 TYR 672 HD2 TYR 672 3.004 8.430 -29.041 612 HE1 TYR 672 HE1 TYR 672 4.595 3.905 -27.719 613 HE2 TYR 672 HE2 TYR 672 4.117 6.933 -30.724 614 HH TYR 672 HH TYR 672 5.176 3.629 -29.933 615 H VAL 673 H VAL 673 -0.090 6.601 -24.682 616 HA VAL 673 HA VAL 673 -0.424 8.988 -22.948 617 HB VAL 673 HB VAL 673 -2.546 8.968 -24.094 618 HG11 VAL 673 1HG1 VAL 673 -2.611 6.903 -25.233 619 HG12 VAL 673 2HG1 VAL 673 -2.494 5.962 -23.737 620 HG13 VAL 673 3HG1 VAL 673 -3.990 6.846 -24.118 621 HG21 VAL 673 1HG2 VAL 673 -3.051 7.464 -21.485 622 HG22 VAL 673 2HG2 VAL 673 -2.648 9.188 -21.581 623 HG23 VAL 673 3HG2 VAL 673 -4.145 8.583 -22.319 624 H VAL 674 H VAL 674 -0.315 8.510 -20.805 625 HA VAL 674 HA VAL 674 -0.234 5.638 -20.013 626 HB VAL 674 HB VAL 674 1.679 6.124 -18.464 627 HG11 VAL 674 1HG1 VAL 674 3.481 6.264 -20.233 628 HG12 VAL 674 2HG1 VAL 674 2.252 5.015 -20.474 629 HG13 VAL 674 3HG1 VAL 674 2.185 6.512 -21.437 630 HG21 VAL 674 1HG2 VAL 674 1.418 8.572 -18.310 631 HG22 VAL 674 2HG2 VAL 674 3.065 8.119 -18.782 632 HG23 VAL 674 3HG2 VAL 674 1.934 8.737 -20.005 633 H ALA 675 H ALA 675 -0.585 5.398 -17.709 634 HA ALA 675 HA ALA 675 -2.091 7.689 -16.488 635 HB1 ALA 675 1HB ALA 675 -3.542 5.735 -17.140 636 HB2 ALA 675 2HB ALA 675 -2.530 4.680 -16.126 637 HB3 ALA 675 3HB ALA 675 -3.476 5.993 -15.386 638 H GLU 676 H GLU 676 -1.677 7.914 -14.195 639 HA GLU 676 HA GLU 676 0.435 6.090 -13.153 640 HB2 GLU 676 1HB GLU 676 1.556 7.908 -12.009 641 HB3 GLU 676 2HB GLU 676 1.598 8.155 -13.752 642 HG2 GLU 676 1HG GLU 676 -0.098 9.878 -13.615 643 HG3 GLU 676 2HG GLU 676 -0.322 9.567 -11.880 644 H ASN 677 H ASN 677 0.118 5.474 -11.079 645 HA ASN 677 HA ASN 677 -2.385 6.535 -9.867 646 HB2 ASN 677 1HB ASN 677 -3.000 4.422 -9.075 647 HB3 ASN 677 2HB ASN 677 -2.462 4.110 -10.715 648 HD21 ASN 677 1HD2 ASN 677 -1.107 1.505 -8.512 649 HD22 ASN 677 2HD2 ASN 677 -2.694 2.090 -8.978 650 H GLN 678 H GLN 678 -2.164 5.760 -7.326 651 HA GLN 678 HA GLN 678 -0.145 7.631 -6.498 652 HB2 GLN 678 1HB GLN 678 -2.429 7.374 -5.628 653 HB3 GLN 678 2HB GLN 678 -1.931 5.862 -4.811 654 HG2 GLN 678 1HG GLN 678 -0.425 7.078 -3.356 655 HG3 GLN 678 2HG GLN 678 -0.621 8.559 -4.310 656 HE21 GLN 678 1HE2 GLN 678 -3.023 7.962 -1.229 657 HE22 GLN 678 2HE2 GLN 678 -1.507 7.136 -1.495 658 H GLN 679 H GLN 679 0.430 4.532 -7.418 659 HA GLN 679 HA GLN 679 2.750 4.367 -5.541 660 HB2 GLN 679 1HB GLN 679 0.821 2.569 -5.547 661 HB3 GLN 679 2HB GLN 679 1.716 1.949 -6.931 662 HG2 GLN 679 1HG GLN 679 2.628 0.769 -5.142 663 HG3 GLN 679 2HG GLN 679 3.803 2.056 -5.402 664 HE21 GLN 679 1HE2 GLN 679 1.776 3.534 -2.337 665 HE22 GLN 679 2HE2 GLN 679 1.401 3.759 -4.026 666 H GLY 680 H GLY 680 1.760 4.165 -8.958 667 HA2 GLY 680 1HA GLY 680 4.457 4.630 -9.838 668 HA3 GLY 680 2HA GLY 680 4.030 2.927 -10.031 669 H LYS 681 H LYS 681 4.420 3.461 -12.382 670 HA LYS 681 HA LYS 681 2.115 4.973 -13.585 671 HB2 LYS 681 1HB LYS 681 4.887 4.372 -14.641 672 HB3 LYS 681 2HB LYS 681 3.597 5.135 -15.577 673 HG2 LYS 681 1HG LYS 681 3.763 6.616 -13.200 674 HG3 LYS 681 2HG LYS 681 5.436 6.303 -13.717 675 HD2 LYS 681 1HD LYS 681 4.466 6.929 -16.101 676 HD3 LYS 681 2HD LYS 681 3.235 7.778 -15.141 677 HE2 LYS 681 1HE LYS 681 6.210 8.034 -14.824 678 HE3 LYS 681 2HE LYS 681 5.200 9.138 -15.781 679 HZ1 LYS 681 1HZ LYS 681 4.990 8.705 -12.859 680 HZ2 LYS 681 2HZ LYS 681 4.011 9.707 -13.731 681 HZ3 LYS 681 3HZ LYS 681 5.621 10.040 -13.591 682 H SER 682 H SER 682 1.573 4.354 -15.817 683 HA SER 682 HA SER 682 1.162 1.395 -15.873 684 HB2 SER 682 1HB SER 682 -0.732 1.791 -17.185 685 HB3 SER 682 2HB SER 682 -0.747 3.156 -16.066 686 HG SER 682 HG SER 682 0.082 3.108 -18.787 687 H LYS 683 H LYS 683 1.227 0.333 -18.006 688 HA LYS 683 HA LYS 683 3.597 1.055 -19.536 689 HB2 LYS 683 1HB LYS 683 2.434 -1.296 -19.271 690 HB3 LYS 683 2HB LYS 683 1.357 -0.709 -20.544 691 HG2 LYS 683 1HG LYS 683 3.338 -0.301 -22.007 692 HG3 LYS 683 2HG LYS 683 4.377 -1.004 -20.759 693 HD2 LYS 683 1HD LYS 683 2.071 -2.490 -22.077 694 HD3 LYS 683 2HD LYS 683 3.747 -2.549 -22.653 695 HE2 LYS 683 1HE LYS 683 4.454 -3.383 -20.391 696 HE3 LYS 683 2HE LYS 683 2.738 -3.473 -19.933 697 HZ1 LYS 683 1HZ LYS 683 3.995 -4.947 -22.183 698 HZ2 LYS 683 2HZ LYS 683 2.402 -5.030 -21.765 699 HZ3 LYS 683 3HZ LYS 683 3.556 -5.603 -20.735 700 H ALA 684 H ALA 684 3.570 2.024 -21.650 701 HA ALA 684 HA ALA 684 1.413 3.924 -22.061 702 HB1 ALA 684 1HB ALA 684 3.816 4.404 -22.580 703 HB2 ALA 684 2HB ALA 684 3.757 3.171 -23.862 704 HB3 ALA 684 3HB ALA 684 2.752 4.635 -23.985 705 H ALA 685 H ALA 685 -0.020 4.051 -23.743 706 HA ALA 685 HA ALA 685 -0.236 1.668 -25.552 707 HB1 ALA 685 1HB ALA 685 -2.668 1.930 -25.521 708 HB2 ALA 685 2HB ALA 685 -2.128 1.752 -23.837 709 HB3 ALA 685 3HB ALA 685 -2.546 3.358 -24.476 710 H HIS 686 H HIS 686 -0.711 2.359 -27.734 711 HA HIS 686 HA HIS 686 -0.776 5.253 -28.183 712 HB2 HIS 686 1HB HIS 686 1.064 5.199 -29.763 713 HB3 HIS 686 2HB HIS 686 1.584 4.698 -28.155 714 HD1 HIS 686 HD1 HIS 686 1.992 2.030 -27.835 715 HD2 HIS 686 HD2 HIS 686 1.550 3.388 -31.742 716 HE1 HIS 686 HE1 HIS 686 2.842 0.192 -29.344 717 H PHE 687 H PHE 687 -1.541 5.942 -30.176 718 HA PHE 687 HA PHE 687 -2.341 3.856 -32.093 719 HB2 PHE 687 1HB PHE 687 -4.622 4.240 -32.082 720 HB3 PHE 687 2HB PHE 687 -4.224 4.264 -30.361 721 HD1 PHE 687 HD1 PHE 687 -3.855 6.613 -29.259 722 HD2 PHE 687 HD2 PHE 687 -5.795 6.008 -33.057 723 HE1 PHE 687 HE1 PHE 687 -4.985 8.831 -29.041 724 HE2 PHE 687 HE2 PHE 687 -6.893 8.207 -32.852 725 HZ PHE 687 HZ PHE 687 -6.507 9.632 -30.845 726 H VAL 688 H VAL 688 -2.990 4.754 -34.163 727 HA VAL 688 HA VAL 688 -1.833 7.467 -34.667 728 HB VAL 688 HB VAL 688 -1.632 4.952 -36.415 729 HG11 VAL 688 1HG1 VAL 688 -0.147 6.308 -37.872 730 HG12 VAL 688 2HG1 VAL 688 -1.773 7.008 -37.790 731 HG13 VAL 688 3HG1 VAL 688 -0.445 7.733 -36.855 732 HG21 VAL 688 1HG2 VAL 688 0.828 5.123 -35.978 733 HG22 VAL 688 2HG2 VAL 688 0.502 6.416 -34.804 734 HG23 VAL 688 3HG2 VAL 688 -0.109 4.772 -34.513 735 H PHE 689 H PHE 689 -3.107 8.775 -36.014 736 HA PHE 689 HA PHE 689 -5.438 7.518 -37.355 737 HB2 PHE 689 1HB PHE 689 -6.073 8.051 -34.985 738 HB3 PHE 689 2HB PHE 689 -5.738 9.749 -35.316 739 HD1 PHE 689 HD1 PHE 689 -7.352 11.125 -36.445 740 HD2 PHE 689 HD2 PHE 689 -7.922 6.869 -36.223 741 HE1 PHE 689 HE1 PHE 689 -9.673 11.402 -37.284 742 HE2 PHE 689 HE2 PHE 689 -10.240 7.132 -37.099 743 HZ PHE 689 HZ PHE 689 -11.115 9.402 -37.642 744 H ARG 690 H ARG 690 -6.591 8.963 -38.787 745 HA ARG 690 HA ARG 690 -5.600 11.655 -39.354 746 HB2 ARG 690 1HB ARG 690 -5.670 10.587 -41.936 747 HB3 ARG 690 2HB ARG 690 -4.262 11.186 -41.083 748 HG2 ARG 690 1HG ARG 690 -3.560 9.157 -41.879 749 HG3 ARG 690 2HG ARG 690 -3.946 8.789 -40.208 750 HD2 ARG 690 1HD ARG 690 -6.194 7.926 -41.056 751 HD3 ARG 690 2HD ARG 690 -5.538 8.106 -42.697 752 HE ARG 690 HE ARG 690 -4.887 6.056 -40.752 753 HH11 ARG 690 1HH1 ARG 690 -3.519 7.794 -43.510 754 HH12 ARG 690 2HH1 ARG 690 -2.329 6.557 -43.806 755 HH21 ARG 690 1HH2 ARG 690 -3.359 4.520 -41.225 756 HH22 ARG 690 2HH2 ARG 690 -2.249 4.749 -42.548 757 H THR 691 H THR 691 -7.154 12.612 -40.992 758 HA THR 691 HA THR 691 -9.624 11.043 -41.400 759 HB THR 691 HB THR 691 -9.949 12.119 -39.173 760 HG1 THR 691 HG1 THR 691 -11.941 12.968 -39.681 761 HG21 THR 691 1HG2 THR 691 -10.211 14.567 -39.013 762 HG22 THR 691 2HG2 THR 691 -9.599 14.739 -40.672 763 HG23 THR 691 3HG2 THR 691 -8.543 14.096 -39.395 764 H HIS 692 H HIS 692 -11.107 13.284 -42.346 765 HA HIS 692 HA HIS 692 -11.426 14.503 -44.249 766 HB2 HIS 692 1HB HIS 692 -9.563 15.816 -43.045 767 HB3 HIS 692 2HB HIS 692 -8.474 15.160 -44.271 768 HD1 HIS 692 HD1 HIS 692 -8.260 16.597 -46.315 769 HD2 HIS 692 HD2 HIS 692 -11.854 17.238 -44.333 770 HE1 HIS 692 HE1 HIS 692 -9.438 18.458 -47.541 771 H HIS 693 H HIS 693 -10.914 11.716 -44.523 772 HA HIS 693 HA HIS 693 -9.238 11.259 -46.828 773 HB2 HIS 693 1HB HIS 693 -11.599 9.608 -45.875 774 HB3 HIS 693 2HB HIS 693 -10.236 9.062 -46.855 775 HD1 HIS 693 HD1 HIS 693 -11.396 9.166 -43.406 776 HD2 HIS 693 HD2 HIS 693 -7.701 9.218 -45.311 777 HE1 HIS 693 HE1 HIS 693 -9.677 8.501 -41.676 778 H HIS 694 H HIS 694 -9.950 10.899 -48.996 779 HA HIS 694 HA HIS 694 -11.936 12.761 -49.881 780 HB2 HIS 694 1HB HIS 694 -10.553 10.491 -51.364 781 HB3 HIS 694 2HB HIS 694 -11.491 11.783 -52.121 782 HD1 HIS 694 HD1 HIS 694 -8.093 11.017 -50.827 783 HD2 HIS 694 HD2 HIS 694 -10.295 14.376 -51.906 784 HE1 HIS 694 HE1 HIS 694 -6.445 12.916 -51.092 785 H HIS 695 H HIS 695 -12.215 9.501 -48.815 786 HA HIS 695 HA HIS 695 -15.079 9.504 -49.302 787 HB2 HIS 695 1HB HIS 695 -15.105 7.360 -50.522 788 HB3 HIS 695 2HB HIS 695 -14.314 8.613 -51.485 789 HD1 HIS 695 HD1 HIS 695 -11.776 8.301 -51.992 790 HD2 HIS 695 HD2 HIS 695 -13.414 5.308 -49.613 791 HE1 HIS 695 HE1 HIS 695 -10.071 6.441 -51.889 792 H HIS 696 H HIS 696 -15.944 7.450 -48.227 793 HA HIS 696 HA HIS 696 -14.053 6.243 -46.280 794 HB2 HIS 696 1HB HIS 696 -16.704 7.596 -45.609 795 HB3 HIS 696 2HB HIS 696 -15.818 6.531 -44.513 796 HD1 HIS 696 HD1 HIS 696 -15.698 10.020 -45.959 797 HD2 HIS 696 HD2 HIS 696 -13.555 7.618 -43.329 798 HE1 HIS 696 HE1 HIS 696 -14.049 11.528 -44.786 799 H HIS 697 H HIS 697 -15.299 4.322 -45.256 800 HA HIS 697 HA HIS 697 -16.523 2.793 -47.417 801 HB2 HIS 697 1HB HIS 697 -14.943 1.801 -45.754 802 HB3 HIS 697 2HB HIS 697 -16.111 2.139 -44.470 803 HD1 HIS 697 HD1 HIS 697 -16.523 0.417 -47.887 804 HD2 HIS 697 HD2 HIS 697 -17.281 -0.193 -43.848 805 HE1 HIS 697 HE1 HIS 697 -17.680 -1.819 -47.697 Start of MODEL 20 1 H1 MET 595 1H MET 595 4.671 0.673 -0.823 2 H2 MET 595 2H MET 595 3.586 -0.447 -0.286 3 H3 MET 595 3H MET 595 5.149 -0.888 -0.590 4 HA MET 595 HA MET 595 3.240 0.077 -2.601 5 HB2 MET 595 1HB MET 595 5.112 -1.111 -4.077 6 HB3 MET 595 2HB MET 595 5.181 0.591 -3.637 7 HG2 MET 595 1HG MET 595 7.366 -0.431 -3.379 8 HG3 MET 595 2HG MET 595 6.749 0.106 -1.815 9 HE1 MET 595 1HE MET 595 7.276 -4.311 -3.197 10 HE2 MET 595 2HE MET 595 6.117 -3.249 -4.030 11 HE3 MET 595 3HE MET 595 7.858 -2.879 -4.079 12 H GLN 596 H GLN 596 4.436 -2.747 -0.798 13 HA GLN 596 HA GLN 596 3.896 -4.776 -2.554 14 HB2 GLN 596 1HB GLN 596 4.871 -4.901 -0.264 15 HB3 GLN 596 2HB GLN 596 3.238 -4.806 0.401 16 HG2 GLN 596 1HG GLN 596 2.643 -6.911 -0.743 17 HG3 GLN 596 2HG GLN 596 4.274 -6.997 -1.429 18 HE21 GLN 596 1HE2 GLN 596 4.579 -9.179 1.412 19 HE22 GLN 596 2HE2 GLN 596 4.006 -9.154 -0.239 20 HA PRO 597 HA PRO 597 -0.561 -5.369 -1.640 21 HB2 PRO 597 1HB PRO 597 -2.226 -3.640 -0.427 22 HB3 PRO 597 2HB PRO 597 -1.089 -4.649 0.523 23 HG2 PRO 597 1HG PRO 597 -0.788 -1.803 -0.385 24 HG3 PRO 597 2HG PRO 597 -0.593 -2.487 1.258 25 HD2 PRO 597 1HD PRO 597 1.516 -2.051 -0.432 26 HD3 PRO 597 2HD PRO 597 1.494 -3.393 0.764 27 H VAL 598 H VAL 598 0.675 -2.699 -3.272 28 HA VAL 598 HA VAL 598 -1.847 -2.425 -4.828 29 HB VAL 598 HB VAL 598 -2.061 -0.423 -3.703 30 HG11 VAL 598 1HG1 VAL 598 0.965 -0.277 -3.494 31 HG12 VAL 598 2HG1 VAL 598 -0.137 1.008 -2.944 32 HG13 VAL 598 3HG1 VAL 598 -0.207 -0.588 -2.191 33 HG21 VAL 598 1HG2 VAL 598 -0.059 0.456 -5.829 34 HG22 VAL 598 2HG2 VAL 598 -1.762 0.094 -6.140 35 HG23 VAL 598 3HG2 VAL 598 -1.329 1.444 -5.078 36 H ARG 599 H ARG 599 -1.602 -2.815 -6.873 37 HA ARG 599 HA ARG 599 1.120 -2.980 -8.003 38 HB2 ARG 599 1HB ARG 599 0.089 -4.139 -9.848 39 HB3 ARG 599 2HB ARG 599 -0.523 -4.820 -8.337 40 HG2 ARG 599 1HG ARG 599 -2.619 -3.548 -8.593 41 HG3 ARG 599 2HG ARG 599 -2.005 -2.820 -10.085 42 HD2 ARG 599 1HD ARG 599 -1.807 -5.102 -11.075 43 HD3 ARG 599 2HD ARG 599 -2.538 -5.763 -9.598 44 HE ARG 599 HE ARG 599 -4.025 -3.673 -11.109 45 HH11 ARG 599 1HH1 ARG 599 -3.808 -7.087 -10.206 46 HH12 ARG 599 2HH1 ARG 599 -5.455 -7.401 -10.683 47 HH21 ARG 599 1HH2 ARG 599 -6.086 -4.143 -11.686 48 HH22 ARG 599 2HH2 ARG 599 -6.720 -5.768 -11.514 49 H GLU 600 H GLU 600 1.476 -2.278 -10.222 50 HA GLU 600 HA GLU 600 1.010 0.548 -10.544 51 HB2 GLU 600 1HB GLU 600 1.986 -1.516 -12.563 52 HB3 GLU 600 2HB GLU 600 2.243 0.227 -12.636 53 HG2 GLU 600 1HG GLU 600 4.245 -0.257 -11.743 54 HG3 GLU 600 2HG GLU 600 3.358 -0.322 -10.211 55 HA PRO 601 HA PRO 601 -2.704 0.335 -12.839 56 HB2 PRO 601 1HB PRO 601 -2.532 2.366 -14.689 57 HB3 PRO 601 2HB PRO 601 -2.812 2.603 -12.945 58 HG2 PRO 601 1HG PRO 601 -0.330 2.944 -14.512 59 HG3 PRO 601 2HG PRO 601 -0.939 3.880 -13.138 60 HD2 PRO 601 1HD PRO 601 1.033 1.945 -13.045 61 HD3 PRO 601 2HD PRO 601 0.060 2.491 -11.650 62 H SER 602 H SER 602 -3.776 -0.109 -14.807 63 HA SER 602 HA SER 602 -2.242 -1.873 -16.566 64 HB2 SER 602 1HB SER 602 -4.487 -2.495 -15.637 65 HB3 SER 602 2HB SER 602 -5.202 -1.164 -16.569 66 HG SER 602 HG SER 602 -5.301 -3.222 -17.635 67 H ALA 603 H ALA 603 -2.342 -1.647 -18.906 68 HA ALA 603 HA ALA 603 -1.674 0.921 -19.839 69 HB1 ALA 603 1HB ALA 603 -1.920 -0.026 -22.102 70 HB2 ALA 603 2HB ALA 603 -1.146 -1.219 -21.037 71 HB3 ALA 603 3HB ALA 603 -2.868 -1.385 -21.455 72 HA PRO 604 HA PRO 604 -5.591 2.844 -19.949 73 HB2 PRO 604 1HB PRO 604 -5.298 4.761 -21.888 74 HB3 PRO 604 2HB PRO 604 -4.486 4.855 -20.293 75 HG2 PRO 604 1HG PRO 604 -3.430 3.835 -22.882 76 HG3 PRO 604 2HG PRO 604 -2.713 5.018 -21.755 77 HD2 PRO 604 1HD PRO 604 -1.941 2.465 -21.754 78 HD3 PRO 604 2HD PRO 604 -2.121 3.380 -20.214 79 H LYS 605 H LYS 605 -7.524 3.036 -21.017 80 HA LYS 605 HA LYS 605 -7.996 1.010 -23.066 81 HB2 LYS 605 1HB LYS 605 -9.771 3.066 -21.661 82 HB3 LYS 605 2HB LYS 605 -10.363 1.929 -22.870 83 HG2 LYS 605 1HG LYS 605 -10.935 0.895 -20.848 84 HG3 LYS 605 2HG LYS 605 -9.467 0.047 -21.338 85 HD2 LYS 605 1HD LYS 605 -8.828 2.346 -19.617 86 HD3 LYS 605 2HD LYS 605 -9.994 1.262 -18.837 87 HE2 LYS 605 1HE LYS 605 -8.502 -0.669 -19.268 88 HE3 LYS 605 2HE LYS 605 -7.340 0.394 -20.061 89 HZ1 LYS 605 1HZ LYS 605 -8.056 0.451 -17.173 90 HZ2 LYS 605 2HZ LYS 605 -7.052 1.534 -17.902 91 HZ3 LYS 605 3HZ LYS 605 -6.628 -0.044 -17.830 92 H LEU 606 H LEU 606 -8.627 1.480 -25.262 93 HA LEU 606 HA LEU 606 -8.479 4.325 -26.067 94 HB2 LEU 606 1HB LEU 606 -6.179 3.386 -26.216 95 HB3 LEU 606 2HB LEU 606 -6.762 2.126 -27.286 96 HG LEU 606 HG LEU 606 -5.479 4.143 -28.257 97 HD11 LEU 606 1HD1 LEU 606 -8.103 3.324 -29.552 98 HD12 LEU 606 2HD1 LEU 606 -6.557 2.466 -29.670 99 HD13 LEU 606 3HD1 LEU 606 -6.724 4.090 -30.365 100 HD21 LEU 606 1HD2 LEU 606 -6.792 5.891 -27.130 101 HD22 LEU 606 2HD2 LEU 606 -8.225 5.430 -28.071 102 HD23 LEU 606 3HD2 LEU 606 -6.800 6.080 -28.893 103 H GLU 607 H GLU 607 -10.287 4.659 -27.150 104 HA GLU 607 HA GLU 607 -11.406 2.389 -28.732 105 HB2 GLU 607 1HB GLU 607 -12.955 4.815 -27.835 106 HB3 GLU 607 2HB GLU 607 -13.566 3.248 -28.368 107 HG2 GLU 607 1HG GLU 607 -12.208 3.944 -25.754 108 HG3 GLU 607 2HG GLU 607 -13.870 3.406 -25.984 109 H GLY 608 H GLY 608 -9.753 5.278 -29.132 110 HA2 GLY 608 1HA GLY 608 -9.316 6.599 -30.959 111 HA3 GLY 608 2HA GLY 608 -9.715 5.165 -31.899 112 H GLN 609 H GLN 609 -11.758 7.451 -30.000 113 HA GLN 609 HA GLN 609 -13.745 7.346 -32.158 114 HB2 GLN 609 1HB GLN 609 -13.626 8.845 -29.529 115 HB3 GLN 609 2HB GLN 609 -15.031 8.817 -30.605 116 HG2 GLN 609 1HG GLN 609 -13.800 6.360 -29.295 117 HG3 GLN 609 2HG GLN 609 -15.239 7.210 -28.710 118 HE21 GLN 609 1HE2 GLN 609 -15.597 4.372 -31.465 119 HE22 GLN 609 2HE2 GLN 609 -14.156 4.647 -30.508 120 H MET 610 H MET 610 -13.765 8.689 -33.817 121 HA MET 610 HA MET 610 -11.807 10.652 -34.265 122 HB2 MET 610 1HB MET 610 -14.559 10.506 -35.537 123 HB3 MET 610 2HB MET 610 -13.106 11.247 -36.221 124 HG2 MET 610 1HG MET 610 -12.035 8.967 -36.207 125 HG3 MET 610 2HG MET 610 -13.597 8.295 -35.711 126 HE1 MET 610 1HE MET 610 -13.931 6.694 -37.750 127 HE2 MET 610 2HE MET 610 -13.623 7.168 -39.437 128 HE3 MET 610 3HE MET 610 -12.282 7.113 -38.269 129 H GLY 611 H GLY 611 -11.730 12.891 -34.222 130 HA2 GLY 611 1HA GLY 611 -13.550 14.155 -32.305 131 HA3 GLY 611 2HA GLY 611 -12.115 14.875 -33.047 132 H GLU 612 H GLU 612 -15.424 14.908 -32.905 133 HA GLU 612 HA GLU 612 -16.130 15.444 -35.644 134 HB2 GLU 612 1HB GLU 612 -18.237 16.278 -34.674 135 HB3 GLU 612 2HB GLU 612 -17.787 14.696 -34.041 136 HG2 GLU 612 1HG GLU 612 -17.113 17.200 -32.471 137 HG3 GLU 612 2HG GLU 612 -18.740 16.517 -32.426 138 H ASP 613 H ASP 613 -14.729 17.388 -33.125 139 HA ASP 613 HA ASP 613 -15.497 19.979 -34.150 140 HB2 ASP 613 1HB ASP 613 -13.179 19.053 -32.410 141 HB3 ASP 613 2HB ASP 613 -13.508 20.748 -32.778 142 H GLY 614 H GLY 614 -13.199 17.597 -35.163 143 HA2 GLY 614 1HA GLY 614 -11.669 17.674 -36.922 144 HA3 GLY 614 2HA GLY 614 -12.089 19.379 -37.199 145 H ASN 615 H ASN 615 -9.396 18.320 -37.169 146 HA ASN 615 HA ASN 615 -7.308 18.736 -36.271 147 HB2 ASN 615 1HB ASN 615 -8.521 21.085 -36.587 148 HB3 ASN 615 2HB ASN 615 -8.432 21.142 -34.823 149 HD21 ASN 615 1HD2 ASN 615 -4.847 21.363 -34.818 150 HD22 ASN 615 2HD2 ASN 615 -6.189 20.624 -33.953 151 H SER 616 H SER 616 -9.209 17.051 -34.742 152 HA SER 616 HA SER 616 -7.911 17.028 -32.127 153 HB2 SER 616 1HB SER 616 -10.040 17.379 -30.918 154 HB3 SER 616 2HB SER 616 -9.562 18.809 -31.847 155 HG SER 616 HG SER 616 -11.093 18.406 -33.331 156 H ILE 617 H ILE 617 -8.876 15.281 -30.692 157 HA ILE 617 HA ILE 617 -10.675 13.345 -31.916 158 HB ILE 617 HB ILE 617 -8.451 12.848 -32.990 159 HG12 ILE 617 1HG1 ILE 617 -9.176 10.452 -31.359 160 HG13 ILE 617 2HG1 ILE 617 -10.457 11.241 -32.282 161 HG21 ILE 617 1HG2 ILE 617 -6.684 11.744 -31.721 162 HG22 ILE 617 2HG2 ILE 617 -7.018 13.317 -30.976 163 HG23 ILE 617 3HG2 ILE 617 -7.639 11.833 -30.224 164 HD11 ILE 617 1HD1 ILE 617 -9.438 9.368 -33.503 165 HD12 ILE 617 2HD1 ILE 617 -9.236 10.916 -34.353 166 HD13 ILE 617 3HD1 ILE 617 -7.872 10.206 -33.463 167 H LYS 618 H LYS 618 -11.281 11.572 -30.443 168 HA LYS 618 HA LYS 618 -10.706 12.286 -27.589 169 HB2 LYS 618 1HB LYS 618 -13.039 10.668 -28.657 170 HB3 LYS 618 2HB LYS 618 -12.824 11.278 -27.023 171 HG2 LYS 618 1HG LYS 618 -14.202 12.930 -27.710 172 HG3 LYS 618 2HG LYS 618 -12.742 13.600 -28.457 173 HD2 LYS 618 1HD LYS 618 -14.054 13.568 -30.340 174 HD3 LYS 618 2HD LYS 618 -13.460 11.929 -30.429 175 HE2 LYS 618 1HE LYS 618 -15.789 11.779 -30.801 176 HE3 LYS 618 2HE LYS 618 -15.522 11.184 -29.150 177 HZ1 LYS 618 1HZ LYS 618 -16.462 13.896 -29.904 178 HZ2 LYS 618 2HZ LYS 618 -16.209 13.381 -28.352 179 HZ3 LYS 618 3HZ LYS 618 -17.396 12.700 -29.274 180 H VAL 619 H VAL 619 -9.237 10.985 -26.703 181 HA VAL 619 HA VAL 619 -9.263 8.087 -27.486 182 HB VAL 619 HB VAL 619 -7.040 8.302 -27.784 183 HG11 VAL 619 1HG1 VAL 619 -5.768 10.394 -27.336 184 HG12 VAL 619 2HG1 VAL 619 -7.252 10.677 -28.256 185 HG13 VAL 619 3HG1 VAL 619 -7.187 11.073 -26.522 186 HG21 VAL 619 1HG2 VAL 619 -6.951 7.405 -25.480 187 HG22 VAL 619 2HG2 VAL 619 -5.542 8.416 -25.858 188 HG23 VAL 619 3HG2 VAL 619 -6.849 9.062 -24.841 189 H ASN 620 H ASN 620 -9.499 6.588 -25.731 190 HA ASN 620 HA ASN 620 -11.013 7.748 -23.547 191 HB2 ASN 620 1HB ASN 620 -10.557 5.065 -24.627 192 HB3 ASN 620 2HB ASN 620 -10.600 5.109 -22.862 193 HD21 ASN 620 1HD2 ASN 620 -13.927 6.372 -24.903 194 HD22 ASN 620 2HD2 ASN 620 -12.341 6.624 -25.584 195 H LEU 621 H LEU 621 -10.696 7.459 -21.342 196 HA LEU 621 HA LEU 621 -7.831 7.189 -20.574 197 HB2 LEU 621 1HB LEU 621 -8.951 9.575 -20.665 198 HB3 LEU 621 2HB LEU 621 -9.689 9.047 -19.157 199 HG LEU 621 HG LEU 621 -7.245 8.448 -18.439 200 HD11 LEU 621 1HD1 LEU 621 -6.240 8.787 -20.698 201 HD12 LEU 621 2HD1 LEU 621 -5.519 9.850 -19.472 202 HD13 LEU 621 3HD1 LEU 621 -6.699 10.503 -20.629 203 HD21 LEU 621 1HD2 LEU 621 -8.589 10.175 -17.419 204 HD22 LEU 621 2HD2 LEU 621 -8.279 11.282 -18.781 205 HD23 LEU 621 3HD2 LEU 621 -6.955 10.801 -17.701 206 H ILE 622 H ILE 622 -7.460 6.379 -18.487 207 HA ILE 622 HA ILE 622 -9.286 4.384 -17.529 208 HB ILE 622 HB ILE 622 -6.848 5.781 -16.386 209 HG12 ILE 622 1HG1 ILE 622 -6.704 2.932 -16.793 210 HG13 ILE 622 2HG1 ILE 622 -7.129 3.761 -18.292 211 HG21 ILE 622 1HG2 ILE 622 -8.314 3.448 -15.161 212 HG22 ILE 622 2HG2 ILE 622 -6.722 4.020 -14.678 213 HG23 ILE 622 3HG2 ILE 622 -8.126 5.071 -14.460 214 HD11 ILE 622 1HD1 ILE 622 -5.159 5.147 -18.081 215 HD12 ILE 622 2HD1 ILE 622 -4.775 4.370 -16.520 216 HD13 ILE 622 3HD1 ILE 622 -4.724 3.417 -18.012 217 H LYS 623 H LYS 623 -11.055 4.650 -16.265 218 HA LYS 623 HA LYS 623 -11.324 7.185 -14.746 219 HB2 LYS 623 1HB LYS 623 -13.751 7.116 -15.170 220 HB3 LYS 623 2HB LYS 623 -12.796 7.328 -16.627 221 HG2 LYS 623 1HG LYS 623 -13.763 4.558 -15.878 222 HG3 LYS 623 2HG LYS 623 -14.863 5.722 -16.629 223 HD2 LYS 623 1HD LYS 623 -12.999 6.026 -18.419 224 HD3 LYS 623 2HD LYS 623 -12.354 4.501 -17.798 225 HE2 LYS 623 1HE LYS 623 -13.839 3.365 -19.016 226 HE3 LYS 623 2HE LYS 623 -15.176 4.204 -18.188 227 HZ1 LYS 623 1HZ LYS 623 -13.690 5.382 -20.475 228 HZ2 LYS 623 2HZ LYS 623 -15.077 5.954 -19.770 229 HZ3 LYS 623 3HZ LYS 623 -15.105 4.553 -20.642 230 H GLN 624 H GLN 624 -10.513 4.303 -14.076 231 HA GLN 624 HA GLN 624 -12.007 4.199 -11.533 232 HB2 GLN 624 1HB GLN 624 -12.546 1.851 -11.761 233 HB3 GLN 624 2HB GLN 624 -13.286 2.724 -13.102 234 HG2 GLN 624 1HG GLN 624 -10.667 1.183 -13.335 235 HG3 GLN 624 2HG GLN 624 -12.249 0.487 -13.684 236 HE21 GLN 624 1HE2 GLN 624 -10.315 2.506 -16.510 237 HE22 GLN 624 2HE2 GLN 624 -9.605 2.075 -14.970 238 H ASP 625 H ASP 625 -10.791 2.561 -10.046 239 HA ASP 625 HA ASP 625 -7.937 3.007 -10.453 240 HB2 ASP 625 1HB ASP 625 -7.698 1.759 -8.312 241 HB3 ASP 625 2HB ASP 625 -8.761 3.170 -8.204 242 H ASP 626 H ASP 626 -6.811 1.858 -11.801 243 HA ASP 626 HA ASP 626 -7.663 -0.687 -12.882 244 HB2 ASP 626 1HB ASP 626 -5.135 0.974 -12.985 245 HB3 ASP 626 2HB ASP 626 -5.199 -0.638 -13.705 246 H GLY 627 H GLY 627 -6.107 0.096 -9.964 247 HA2 GLY 627 1HA GLY 627 -5.192 -2.690 -9.685 248 HA3 GLY 627 2HA GLY 627 -3.955 -1.433 -9.596 249 H GLY 628 H GLY 628 -3.437 -0.748 -7.693 250 HA2 GLY 628 1HA GLY 628 -5.295 -1.446 -5.452 251 HA3 GLY 628 2HA GLY 628 -3.550 -1.284 -5.312 252 H SER 629 H SER 629 -4.656 1.235 -7.229 253 HA SER 629 HA SER 629 -5.576 2.991 -5.104 254 HB2 SER 629 1HB SER 629 -3.709 4.493 -5.040 255 HB3 SER 629 2HB SER 629 -3.007 2.880 -4.810 256 HG SER 629 HG SER 629 -3.136 4.372 -7.239 257 HA PRO 630 HA PRO 630 -6.954 4.860 -8.901 258 HB2 PRO 630 1HB PRO 630 -7.249 7.505 -8.293 259 HB3 PRO 630 2HB PRO 630 -8.355 6.257 -7.632 260 HG2 PRO 630 1HG PRO 630 -5.924 7.493 -6.354 261 HG3 PRO 630 2HG PRO 630 -7.586 7.335 -5.695 262 HD2 PRO 630 1HD PRO 630 -5.653 5.569 -5.058 263 HD3 PRO 630 2HD PRO 630 -7.346 5.027 -5.334 264 H ILE 631 H ILE 631 -6.220 6.497 -10.542 265 HA ILE 631 HA ILE 631 -3.304 6.482 -10.682 266 HB ILE 631 HB ILE 631 -5.551 7.398 -12.530 267 HG12 ILE 631 1HG1 ILE 631 -4.551 5.783 -14.112 268 HG13 ILE 631 2HG1 ILE 631 -3.223 5.472 -12.982 269 HG21 ILE 631 1HG2 ILE 631 -3.710 7.966 -14.190 270 HG22 ILE 631 2HG2 ILE 631 -3.891 9.106 -12.855 271 HG23 ILE 631 3HG2 ILE 631 -2.573 7.912 -12.846 272 HD11 ILE 631 1HD1 ILE 631 -6.111 4.804 -12.412 273 HD12 ILE 631 2HD1 ILE 631 -4.940 3.695 -13.161 274 HD13 ILE 631 3HD1 ILE 631 -4.664 4.279 -11.506 275 H ARG 632 H ARG 632 -1.931 8.285 -10.424 276 HA ARG 632 HA ARG 632 -3.084 10.523 -8.887 277 HB2 ARG 632 1HB ARG 632 -0.308 9.583 -9.616 278 HB3 ARG 632 2HB ARG 632 -0.561 11.291 -9.268 279 HG2 ARG 632 1HG ARG 632 -1.511 10.664 -7.027 280 HG3 ARG 632 2HG ARG 632 -1.082 8.963 -7.330 281 HD2 ARG 632 1HD ARG 632 0.524 10.668 -5.986 282 HD3 ARG 632 2HD ARG 632 1.144 9.328 -6.930 283 HE ARG 632 HE ARG 632 1.312 12.196 -7.613 284 HH11 ARG 632 1HH1 ARG 632 2.094 8.870 -8.614 285 HH12 ARG 632 2HH1 ARG 632 3.271 9.441 -9.773 286 HH21 ARG 632 1HH2 ARG 632 2.868 12.765 -9.098 287 HH22 ARG 632 2HH2 ARG 632 3.688 11.530 -10.044 288 H HIS 633 H HIS 633 -1.161 10.088 -11.909 289 HA HIS 633 HA HIS 633 -2.644 12.376 -13.108 290 HB2 HIS 633 1HB HIS 633 0.373 12.153 -13.346 291 HB3 HIS 633 2HB HIS 633 -0.662 13.507 -13.817 292 HD1 HIS 633 HD1 HIS 633 -2.017 14.495 -11.421 293 HD2 HIS 633 HD2 HIS 633 1.715 12.699 -11.139 294 HE1 HIS 633 HE1 HIS 633 -1.024 15.239 -9.222 295 H TYR 634 H TYR 634 -2.204 12.514 -15.485 296 HA TYR 634 HA TYR 634 -1.405 9.871 -16.649 297 HB2 TYR 634 1HB TYR 634 -3.483 11.875 -17.616 298 HB3 TYR 634 2HB TYR 634 -2.913 10.475 -18.543 299 HD1 TYR 634 HD1 TYR 634 -4.995 11.592 -15.759 300 HD2 TYR 634 HD2 TYR 634 -3.430 8.172 -17.808 301 HE1 TYR 634 HE1 TYR 634 -6.611 10.150 -14.592 302 HE2 TYR 634 HE2 TYR 634 -5.057 6.740 -16.612 303 HH TYR 634 HH TYR 634 -7.626 8.037 -14.601 304 H LEU 635 H LEU 635 -0.154 10.004 -18.522 305 HA LEU 635 HA LEU 635 0.801 12.766 -19.149 306 HB2 LEU 635 1HB LEU 635 2.498 10.248 -19.097 307 HB3 LEU 635 2HB LEU 635 3.035 11.865 -19.489 308 HG LEU 635 HG LEU 635 2.318 12.397 -16.992 309 HD11 LEU 635 1HD1 LEU 635 2.831 9.372 -16.873 310 HD12 LEU 635 2HD1 LEU 635 1.372 10.217 -16.334 311 HD13 LEU 635 3HD1 LEU 635 2.892 10.442 -15.455 312 HD21 LEU 635 1HD2 LEU 635 4.556 12.635 -17.870 313 HD22 LEU 635 2HD2 LEU 635 4.813 10.872 -17.826 314 HD23 LEU 635 3HD2 LEU 635 4.639 11.799 -16.309 315 H VAL 636 H VAL 636 -0.304 13.077 -21.025 316 HA VAL 636 HA VAL 636 -0.230 10.917 -23.078 317 HB VAL 636 HB VAL 636 -1.663 13.596 -23.231 318 HG11 VAL 636 1HG1 VAL 636 -3.053 12.320 -24.928 319 HG12 VAL 636 2HG1 VAL 636 -1.363 12.596 -25.404 320 HG13 VAL 636 3HG1 VAL 636 -1.868 11.001 -24.810 321 HG21 VAL 636 1HG2 VAL 636 -3.751 12.346 -22.639 322 HG22 VAL 636 2HG2 VAL 636 -2.761 10.924 -22.255 323 HG23 VAL 636 3HG2 VAL 636 -2.596 12.412 -21.297 324 H ARG 637 H ARG 637 1.079 11.100 -24.860 325 HA ARG 637 HA ARG 637 2.458 13.721 -25.327 326 HB2 ARG 637 1HB ARG 637 3.864 12.198 -23.944 327 HB3 ARG 637 2HB ARG 637 3.745 10.957 -25.194 328 HG2 ARG 637 1HG ARG 637 5.111 12.111 -26.667 329 HG3 ARG 637 2HG ARG 637 4.824 13.671 -25.897 330 HD2 ARG 637 1HD ARG 637 6.397 11.395 -24.663 331 HD3 ARG 637 2HD ARG 637 7.104 12.797 -25.491 332 HE ARG 637 HE ARG 637 5.324 13.717 -23.448 333 HH11 ARG 637 1HH1 ARG 637 8.527 12.226 -23.731 334 HH12 ARG 637 2HH1 ARG 637 9.057 12.889 -22.208 335 HH21 ARG 637 1HH2 ARG 637 6.054 14.494 -21.551 336 HH22 ARG 637 2HH2 ARG 637 7.680 14.167 -20.992 337 H TYR 638 H TYR 638 2.082 14.282 -27.427 338 HA TYR 638 HA TYR 638 1.828 12.086 -29.411 339 HB2 TYR 638 1HB TYR 638 -0.181 13.094 -30.379 340 HB3 TYR 638 2HB TYR 638 -0.440 12.506 -28.737 341 HD1 TYR 638 HD1 TYR 638 -0.990 15.209 -30.970 342 HD2 TYR 638 HD2 TYR 638 -0.262 14.364 -26.806 343 HE1 TYR 638 HE1 TYR 638 -2.036 17.383 -30.331 344 HE2 TYR 638 HE2 TYR 638 -1.274 16.553 -26.194 345 HH TYR 638 HH TYR 638 -2.784 18.691 -28.614 346 H ARG 639 H ARG 639 2.173 12.612 -31.554 347 HA ARG 639 HA ARG 639 3.453 15.276 -32.084 348 HB2 ARG 639 1HB ARG 639 5.307 13.952 -31.479 349 HB3 ARG 639 2HB ARG 639 4.653 12.498 -32.206 350 HG2 ARG 639 1HG ARG 639 5.328 14.709 -34.069 351 HG3 ARG 639 2HG ARG 639 6.677 13.923 -33.250 352 HD2 ARG 639 1HD ARG 639 6.313 11.898 -34.263 353 HD3 ARG 639 2HD ARG 639 4.567 12.164 -34.419 354 HE ARG 639 HE ARG 639 5.794 14.052 -36.085 355 HH11 ARG 639 1HH1 ARG 639 5.550 10.509 -35.927 356 HH12 ARG 639 2HH1 ARG 639 5.725 10.355 -37.664 357 HH21 ARG 639 1HH2 ARG 639 6.022 13.754 -38.251 358 HH22 ARG 639 2HH2 ARG 639 6.000 12.155 -38.951 359 H ALA 640 H ALA 640 3.438 15.786 -34.337 360 HA ALA 640 HA ALA 640 1.738 13.992 -36.017 361 HB1 ALA 640 1HB ALA 640 0.402 15.831 -36.732 362 HB2 ALA 640 2HB ALA 640 0.447 15.942 -34.962 363 HB3 ALA 640 3HB ALA 640 1.464 17.019 -35.952 364 H LEU 641 H LEU 641 1.808 14.896 -38.399 365 HA LEU 641 HA LEU 641 4.531 14.831 -39.263 366 HB2 LEU 641 1HB LEU 641 1.871 15.126 -40.435 367 HB3 LEU 641 2HB LEU 641 3.028 16.182 -41.226 368 HG LEU 641 HG LEU 641 2.756 14.096 -42.436 369 HD11 LEU 641 1HD1 LEU 641 4.949 15.261 -42.482 370 HD12 LEU 641 2HD1 LEU 641 5.099 13.507 -42.720 371 HD13 LEU 641 3HD1 LEU 641 5.514 14.230 -41.150 372 HD21 LEU 641 1HD2 LEU 641 2.190 12.619 -40.546 373 HD22 LEU 641 2HD2 LEU 641 3.868 12.693 -39.980 374 HD23 LEU 641 3HD2 LEU 641 3.491 11.947 -41.547 375 H SER 642 H SER 642 2.247 17.457 -38.626 376 HA SER 642 HA SER 642 4.320 19.477 -39.278 377 HB2 SER 642 1HB SER 642 1.470 20.055 -38.490 378 HB3 SER 642 2HB SER 642 2.559 20.997 -39.529 379 HG SER 642 HG SER 642 1.228 18.547 -40.078 380 H SER 643 H SER 643 3.753 17.811 -36.507 381 HA SER 643 HA SER 643 4.405 20.201 -34.863 382 HB2 SER 643 1HB SER 643 2.104 18.310 -34.287 383 HB3 SER 643 2HB SER 643 2.766 19.472 -33.128 384 HG SER 643 HG SER 643 2.145 20.525 -35.603 385 H GLU 644 H GLU 644 5.601 19.899 -33.094 386 HA GLU 644 HA GLU 644 7.158 17.496 -32.847 387 HB2 GLU 644 1HB GLU 644 6.783 19.854 -30.967 388 HB3 GLU 644 2HB GLU 644 8.078 18.657 -30.856 389 HG2 GLU 644 1HG GLU 644 8.964 19.381 -33.015 390 HG3 GLU 644 2HG GLU 644 7.649 20.565 -33.172 391 H TRP 645 H TRP 645 7.507 16.513 -30.605 392 HA TRP 645 HA TRP 645 5.113 15.232 -29.688 393 HB2 TRP 645 1HB TRP 645 7.918 15.457 -28.538 394 HB3 TRP 645 2HB TRP 645 6.628 14.547 -27.746 395 HD1 TRP 645 HD1 TRP 645 9.259 14.174 -30.372 396 HE1 TRP 645 HE1 TRP 645 9.140 11.898 -31.504 397 HE3 TRP 645 HE3 TRP 645 4.676 12.750 -28.611 398 HZ2 TRP 645 HZ2 TRP 645 7.304 9.715 -31.617 399 HZ3 TRP 645 HZ3 TRP 645 3.779 10.510 -29.265 400 HH2 TRP 645 HH2 TRP 645 5.102 9.011 -30.758 401 H LYS 646 H LYS 646 3.532 16.431 -28.784 402 HA LYS 646 HA LYS 646 4.035 18.721 -27.098 403 HB2 LYS 646 1HB LYS 646 1.574 16.930 -27.182 404 HB3 LYS 646 2HB LYS 646 1.642 18.582 -26.556 405 HG2 LYS 646 1HG LYS 646 2.075 17.754 -29.468 406 HG3 LYS 646 2HG LYS 646 0.598 18.466 -28.822 407 HD2 LYS 646 1HD LYS 646 1.659 20.584 -28.442 408 HD3 LYS 646 2HD LYS 646 3.276 19.899 -28.677 409 HE2 LYS 646 1HE LYS 646 2.693 21.134 -30.653 410 HE3 LYS 646 2HE LYS 646 2.751 19.407 -31.030 411 HZ1 LYS 646 1HZ LYS 646 0.847 20.446 -32.055 412 HZ2 LYS 646 2HZ LYS 646 0.282 20.997 -30.610 413 HZ3 LYS 646 3HZ LYS 646 0.317 19.379 -30.920 414 HA PRO 647 HA PRO 647 5.741 16.324 -24.028 415 HB2 PRO 647 1HB PRO 647 5.743 17.929 -21.804 416 HB3 PRO 647 2HB PRO 647 6.754 18.229 -23.255 417 HG2 PRO 647 1HG PRO 647 4.081 19.429 -22.549 418 HG3 PRO 647 2HG PRO 647 5.592 20.253 -23.051 419 HD2 PRO 647 1HD PRO 647 3.623 19.720 -24.822 420 HD3 PRO 647 2HD PRO 647 5.358 19.571 -25.283 421 H GLU 648 H GLU 648 2.830 17.832 -22.435 422 HA GLU 648 HA GLU 648 2.039 15.174 -21.490 423 HB2 GLU 648 1HB GLU 648 3.821 15.986 -19.888 424 HB3 GLU 648 2HB GLU 648 2.779 17.359 -19.502 425 HG2 GLU 648 1HG GLU 648 1.053 15.805 -18.664 426 HG3 GLU 648 2HG GLU 648 2.094 14.434 -19.080 427 H ILE 649 H ILE 649 -0.104 15.139 -20.815 428 HA ILE 649 HA ILE 649 -1.581 17.729 -20.772 429 HB ILE 649 HB ILE 649 -2.613 15.082 -21.906 430 HG12 ILE 649 1HG1 ILE 649 -0.967 16.140 -23.435 431 HG13 ILE 649 2HG1 ILE 649 -2.587 16.063 -24.105 432 HG21 ILE 649 1HG2 ILE 649 -4.605 16.440 -22.601 433 HG22 ILE 649 2HG2 ILE 649 -4.397 16.375 -20.841 434 HG23 ILE 649 3HG2 ILE 649 -3.930 17.837 -21.730 435 HD11 ILE 649 1HD1 ILE 649 -1.389 18.598 -22.885 436 HD12 ILE 649 2HD1 ILE 649 -1.399 18.214 -24.615 437 HD13 ILE 649 3HD1 ILE 649 -2.932 18.462 -23.760 438 H ARG 650 H ARG 650 -2.370 17.966 -18.782 439 HA ARG 650 HA ARG 650 -2.162 15.980 -16.723 440 HB2 ARG 650 1HB ARG 650 -3.267 17.634 -15.322 441 HB3 ARG 650 2HB ARG 650 -2.283 18.573 -16.455 442 HG2 ARG 650 1HG ARG 650 -4.437 18.828 -17.913 443 HG3 ARG 650 2HG ARG 650 -5.388 18.105 -16.611 444 HD2 ARG 650 1HD ARG 650 -4.655 19.956 -15.085 445 HD3 ARG 650 2HD ARG 650 -3.682 20.669 -16.383 446 HE ARG 650 HE ARG 650 -6.613 20.702 -16.116 447 HH11 ARG 650 1HH1 ARG 650 -3.879 21.374 -18.256 448 HH12 ARG 650 2HH1 ARG 650 -4.834 22.388 -19.303 449 HH21 ARG 650 1HH2 ARG 650 -7.758 22.006 -17.502 450 HH22 ARG 650 2HH2 ARG 650 -6.982 22.750 -18.872 451 H LEU 651 H LEU 651 -3.809 14.490 -15.950 452 HA LEU 651 HA LEU 651 -6.467 15.504 -16.244 453 HB2 LEU 651 1HB LEU 651 -5.695 13.173 -17.845 454 HB3 LEU 651 2HB LEU 651 -7.149 12.969 -16.888 455 HG LEU 651 HG LEU 651 -8.226 13.767 -18.650 456 HD11 LEU 651 1HD1 LEU 651 -8.750 15.788 -17.416 457 HD12 LEU 651 2HD1 LEU 651 -8.355 16.310 -19.053 458 HD13 LEU 651 3HD1 LEU 651 -7.154 16.570 -17.736 459 HD21 LEU 651 1HD2 LEU 651 -7.252 14.713 -20.585 460 HD22 LEU 651 2HD2 LEU 651 -6.098 13.506 -19.976 461 HD23 LEU 651 3HD2 LEU 651 -5.811 15.237 -19.728 462 HA PRO 652 HA PRO 652 -6.768 13.463 -12.343 463 HB2 PRO 652 1HB PRO 652 -9.417 13.511 -11.814 464 HB3 PRO 652 2HB PRO 652 -8.490 15.049 -11.910 465 HG2 PRO 652 1HG PRO 652 -10.173 13.692 -13.998 466 HG3 PRO 652 2HG PRO 652 -10.242 15.389 -13.450 467 HD2 PRO 652 1HD PRO 652 -8.874 14.590 -15.680 468 HD3 PRO 652 2HD PRO 652 -8.337 15.976 -14.669 469 H SER 653 H SER 653 -7.709 11.416 -11.377 470 HA SER 653 HA SER 653 -7.935 9.288 -13.322 471 HB2 SER 653 1HB SER 653 -6.970 9.139 -10.983 472 HB3 SER 653 2HB SER 653 -8.632 9.142 -10.377 473 HG SER 653 HG SER 653 -8.961 7.295 -11.819 474 H GLY 654 H GLY 654 -10.160 11.553 -12.706 475 HA2 GLY 654 1HA GLY 654 -12.472 9.669 -12.841 476 HA3 GLY 654 2HA GLY 654 -12.523 11.264 -12.072 477 H SER 655 H SER 655 -11.118 10.227 -15.212 478 HA SER 655 HA SER 655 -13.182 11.899 -16.578 479 HB2 SER 655 1HB SER 655 -10.177 11.923 -17.082 480 HB3 SER 655 2HB SER 655 -11.386 12.638 -18.174 481 HG SER 655 HG SER 655 -11.954 13.501 -15.760 482 H ASP 656 H ASP 656 -14.129 10.837 -18.252 483 HA ASP 656 HA ASP 656 -13.469 8.053 -18.658 484 HB2 ASP 656 1HB ASP 656 -15.479 9.989 -19.780 485 HB3 ASP 656 2HB ASP 656 -15.221 8.429 -20.579 486 H HIS 657 H HIS 657 -12.763 11.010 -20.440 487 HA HIS 657 HA HIS 657 -10.969 9.504 -22.178 488 HB2 HIS 657 1HB HIS 657 -11.974 10.075 -24.259 489 HB3 HIS 657 2HB HIS 657 -13.264 9.369 -23.287 490 HD1 HIS 657 HD1 HIS 657 -12.173 12.583 -24.904 491 HD2 HIS 657 HD2 HIS 657 -15.270 11.187 -22.502 492 HE1 HIS 657 HE1 HIS 657 -13.964 14.363 -24.920 493 H VAL 658 H VAL 658 -9.845 11.058 -23.685 494 HA VAL 658 HA VAL 658 -9.740 13.797 -22.491 495 HB VAL 658 HB VAL 658 -7.706 12.825 -21.749 496 HG11 VAL 658 1HG1 VAL 658 -6.160 11.525 -23.205 497 HG12 VAL 658 2HG1 VAL 658 -7.713 10.719 -22.927 498 HG13 VAL 658 3HG1 VAL 658 -7.400 11.537 -24.473 499 HG21 VAL 658 1HG2 VAL 658 -5.952 13.988 -22.973 500 HG22 VAL 658 2HG2 VAL 658 -6.977 14.097 -24.420 501 HG23 VAL 658 3HG2 VAL 658 -7.407 15.003 -22.950 502 H MET 659 H MET 659 -10.100 15.357 -23.907 503 HA MET 659 HA MET 659 -10.348 14.640 -26.775 504 HB2 MET 659 1HB MET 659 -11.869 16.248 -25.089 505 HB3 MET 659 2HB MET 659 -10.870 17.431 -25.935 506 HG2 MET 659 1HG MET 659 -12.712 15.380 -27.187 507 HG3 MET 659 2HG MET 659 -12.964 17.132 -27.114 508 HE1 MET 659 1HE MET 659 -13.291 15.525 -29.678 509 HE2 MET 659 2HE MET 659 -13.222 17.267 -30.021 510 HE3 MET 659 3HE MET 659 -12.196 16.132 -30.939 511 H LEU 660 H LEU 660 -8.398 14.692 -27.791 512 HA LEU 660 HA LEU 660 -6.367 16.681 -26.896 513 HB2 LEU 660 1HB LEU 660 -6.281 14.443 -28.951 514 HB3 LEU 660 2HB LEU 660 -4.952 15.549 -28.629 515 HG LEU 660 HG LEU 660 -6.065 13.490 -26.699 516 HD11 LEU 660 1HD1 LEU 660 -3.418 13.731 -28.175 517 HD12 LEU 660 2HD1 LEU 660 -4.749 12.623 -28.592 518 HD13 LEU 660 3HD1 LEU 660 -3.894 12.438 -27.051 519 HD21 LEU 660 1HD2 LEU 660 -5.279 15.487 -25.461 520 HD22 LEU 660 2HD2 LEU 660 -3.756 15.472 -26.380 521 HD23 LEU 660 3HD2 LEU 660 -4.142 14.150 -25.259 522 H LYS 661 H LYS 661 -5.756 18.383 -28.117 523 HA LYS 661 HA LYS 661 -7.026 18.735 -30.803 524 HB2 LYS 661 1HB LYS 661 -6.824 20.803 -28.567 525 HB3 LYS 661 2HB LYS 661 -7.289 21.159 -30.235 526 HG2 LYS 661 1HG LYS 661 -8.987 19.077 -29.470 527 HG3 LYS 661 2HG LYS 661 -8.903 20.124 -28.047 528 HD2 LYS 661 1HD LYS 661 -9.640 22.031 -29.329 529 HD3 LYS 661 2HD LYS 661 -9.459 21.135 -30.859 530 HE2 LYS 661 1HE LYS 661 -11.173 19.549 -30.164 531 HE3 LYS 661 2HE LYS 661 -11.367 20.396 -28.624 532 HZ1 LYS 661 1HZ LYS 661 -12.159 22.321 -29.849 533 HZ2 LYS 661 2HZ LYS 661 -13.076 20.994 -30.217 534 HZ3 LYS 661 3HZ LYS 661 -11.949 21.544 -31.291 535 H SER 662 H SER 662 -5.841 20.805 -31.751 536 HA SER 662 HA SER 662 -3.860 21.607 -32.644 537 HB2 SER 662 1HB SER 662 -3.543 22.383 -30.251 538 HB3 SER 662 2HB SER 662 -2.564 20.930 -29.977 539 HG SER 662 HG SER 662 -2.055 23.033 -31.826 540 H LEU 663 H LEU 663 -4.434 19.317 -33.641 541 HA LEU 663 HA LEU 663 -1.852 17.913 -33.920 542 HB2 LEU 663 1HB LEU 663 -3.049 15.723 -33.838 543 HB3 LEU 663 2HB LEU 663 -2.963 16.555 -32.297 544 HG LEU 663 HG LEU 663 -5.392 17.357 -32.804 545 HD11 LEU 663 1HD1 LEU 663 -5.789 16.691 -35.026 546 HD12 LEU 663 2HD1 LEU 663 -6.627 15.471 -34.052 547 HD13 LEU 663 3HD1 LEU 663 -5.053 15.106 -34.781 548 HD21 LEU 663 1HD2 LEU 663 -4.668 15.821 -31.022 549 HD22 LEU 663 2HD2 LEU 663 -4.739 14.459 -32.165 550 HD23 LEU 663 3HD2 LEU 663 -6.223 15.331 -31.718 551 H ASP 664 H ASP 664 -1.897 16.664 -35.993 552 HA ASP 664 HA ASP 664 -3.082 18.336 -38.023 553 HB2 ASP 664 1HB ASP 664 -1.599 15.683 -38.165 554 HB3 ASP 664 2HB ASP 664 -2.156 16.582 -39.584 555 H TRP 665 H TRP 665 -4.761 17.918 -39.414 556 HA TRP 665 HA TRP 665 -6.371 15.475 -38.800 557 HB2 TRP 665 1HB TRP 665 -8.288 16.829 -39.762 558 HB3 TRP 665 2HB TRP 665 -7.662 17.334 -38.191 559 HD1 TRP 665 HD1 TRP 665 -6.243 19.636 -38.114 560 HE1 TRP 665 HE1 TRP 665 -6.201 21.695 -39.588 561 HE3 TRP 665 HE3 TRP 665 -8.563 17.605 -42.201 562 HZ2 TRP 665 HZ2 TRP 665 -7.028 22.386 -42.237 563 HZ3 TRP 665 HZ3 TRP 665 -8.893 19.046 -44.223 564 HH2 TRP 665 HH2 TRP 665 -8.130 21.417 -44.226 565 H ASN 666 H ASN 666 -4.940 17.473 -41.338 566 HA ASN 666 HA ASN 666 -6.011 15.660 -43.425 567 HB2 ASN 666 1HB ASN 666 -5.887 18.310 -43.473 568 HB3 ASN 666 2HB ASN 666 -4.220 18.020 -43.975 569 HD21 ASN 666 1HD2 ASN 666 -5.149 17.544 -47.259 570 HD22 ASN 666 2HD2 ASN 666 -3.967 18.051 -46.077 571 H ALA 667 H ALA 667 -3.753 15.130 -41.380 572 HA ALA 667 HA ALA 667 -1.936 13.740 -43.191 573 HB1 ALA 667 1HB ALA 667 0.107 14.814 -42.255 574 HB2 ALA 667 2HB ALA 667 -0.872 16.031 -43.102 575 HB3 ALA 667 3HB ALA 667 -0.891 15.949 -41.325 576 H GLU 668 H GLU 668 -0.427 12.457 -41.540 577 HA GLU 668 HA GLU 668 -2.289 11.672 -39.403 578 HB2 GLU 668 1HB GLU 668 -1.260 9.581 -39.334 579 HB3 GLU 668 2HB GLU 668 -1.484 10.027 -41.016 580 HG2 GLU 668 1HG GLU 668 0.898 10.599 -41.180 581 HG3 GLU 668 2HG GLU 668 1.109 9.967 -39.531 582 H TYR 669 H TYR 669 -1.666 11.016 -37.362 583 HA TYR 669 HA TYR 669 0.814 12.187 -36.272 584 HB2 TYR 669 1HB TYR 669 -0.450 13.334 -34.495 585 HB3 TYR 669 2HB TYR 669 -0.889 13.971 -36.082 586 HD1 TYR 669 HD1 TYR 669 -3.084 13.394 -37.113 587 HD2 TYR 669 HD2 TYR 669 -2.075 12.193 -33.108 588 HE1 TYR 669 HE1 TYR 669 -5.474 12.980 -36.639 589 HE2 TYR 669 HE2 TYR 669 -4.491 11.779 -32.639 590 HH TYR 669 HH TYR 669 -7.008 12.412 -35.075 591 H GLU 670 H GLU 670 1.215 11.354 -34.115 592 HA GLU 670 HA GLU 670 -0.198 8.759 -33.621 593 HB2 GLU 670 1HB GLU 670 1.956 7.850 -32.878 594 HB3 GLU 670 2HB GLU 670 2.032 8.378 -34.562 595 HG2 GLU 670 1HG GLU 670 3.104 10.522 -33.762 596 HG3 GLU 670 2HG GLU 670 3.201 9.795 -32.151 597 H VAL 671 H VAL 671 -0.656 8.277 -31.498 598 HA VAL 671 HA VAL 671 -0.070 10.441 -29.498 599 HB VAL 671 HB VAL 671 -2.626 8.796 -29.812 600 HG11 VAL 671 1HG1 VAL 671 -2.190 9.268 -27.454 601 HG12 VAL 671 2HG1 VAL 671 -1.918 10.988 -27.817 602 HG13 VAL 671 3HG1 VAL 671 -3.532 10.271 -28.021 603 HG21 VAL 671 1HG2 VAL 671 -2.534 10.486 -31.553 604 HG22 VAL 671 2HG2 VAL 671 -3.732 10.959 -30.336 605 HG23 VAL 671 3HG2 VAL 671 -2.139 11.745 -30.363 606 H TYR 672 H TYR 672 0.957 9.690 -27.724 607 HA TYR 672 HA TYR 672 0.573 6.801 -26.993 608 HB2 TYR 672 1HB TYR 672 2.917 8.695 -26.631 609 HB3 TYR 672 2HB TYR 672 2.722 7.235 -25.652 610 HD1 TYR 672 HD1 TYR 672 3.461 5.138 -26.443 611 HD2 TYR 672 HD2 TYR 672 2.948 8.388 -29.196 612 HE1 TYR 672 HE1 TYR 672 4.458 3.750 -28.254 613 HE2 TYR 672 HE2 TYR 672 3.981 7.011 -31.009 614 HH TYR 672 HH TYR 672 4.914 5.031 -31.578 615 H VAL 673 H VAL 673 -0.049 6.395 -24.881 616 HA VAL 673 HA VAL 673 -0.260 8.713 -23.048 617 HB VAL 673 HB VAL 673 -2.416 8.824 -24.061 618 HG11 VAL 673 1HG1 VAL 673 -2.572 6.854 -25.361 619 HG12 VAL 673 2HG1 VAL 673 -2.477 5.800 -23.939 620 HG13 VAL 673 3HG1 VAL 673 -3.934 6.777 -24.225 621 HG21 VAL 673 1HG2 VAL 673 -2.847 7.132 -21.565 622 HG22 VAL 673 2HG2 VAL 673 -2.434 8.856 -21.554 623 HG23 VAL 673 3HG2 VAL 673 -3.970 8.316 -22.265 624 H VAL 674 H VAL 674 0.166 8.193 -20.998 625 HA VAL 674 HA VAL 674 -0.006 5.327 -20.190 626 HB VAL 674 HB VAL 674 2.073 5.605 -18.809 627 HG11 VAL 674 1HG1 VAL 674 3.712 5.461 -20.689 628 HG12 VAL 674 2HG1 VAL 674 2.283 4.433 -20.875 629 HG13 VAL 674 3HG1 VAL 674 2.410 5.944 -21.809 630 HG21 VAL 674 1HG2 VAL 674 2.103 8.070 -18.688 631 HG22 VAL 674 2HG2 VAL 674 3.645 7.423 -19.278 632 HG23 VAL 674 3HG2 VAL 674 2.498 8.154 -20.421 633 H ALA 675 H ALA 675 -0.175 5.097 -17.877 634 HA ALA 675 HA ALA 675 -1.416 7.483 -16.548 635 HB1 ALA 675 1HB ALA 675 -2.638 5.865 -15.241 636 HB2 ALA 675 2HB ALA 675 -2.937 5.621 -16.969 637 HB3 ALA 675 3HB ALA 675 -1.845 4.529 -16.095 638 H GLU 676 H GLU 676 -0.732 7.913 -14.428 639 HA GLU 676 HA GLU 676 1.546 6.243 -13.432 640 HB2 GLU 676 1HB GLU 676 2.312 8.393 -14.456 641 HB3 GLU 676 2HB GLU 676 1.290 9.278 -13.319 642 HG2 GLU 676 1HG GLU 676 2.569 8.313 -11.465 643 HG3 GLU 676 2HG GLU 676 3.584 7.465 -12.630 644 H ASN 677 H ASN 677 0.695 5.233 -11.669 645 HA ASN 677 HA ASN 677 -1.237 6.817 -10.062 646 HB2 ASN 677 1HB ASN 677 -2.081 4.869 -9.093 647 HB3 ASN 677 2HB ASN 677 -1.894 4.476 -10.798 648 HD21 ASN 677 1HD2 ASN 677 -0.705 1.590 -8.884 649 HD22 ASN 677 2HD2 ASN 677 -2.205 2.456 -9.133 650 H GLN 678 H GLN 678 -0.790 5.896 -7.525 651 HA GLN 678 HA GLN 678 1.588 7.427 -6.978 652 HB2 GLN 678 1HB GLN 678 -0.612 7.518 -5.816 653 HB3 GLN 678 2HB GLN 678 -0.166 5.997 -4.989 654 HG2 GLN 678 1HG GLN 678 1.699 7.082 -3.886 655 HG3 GLN 678 2HG GLN 678 1.520 8.525 -4.901 656 HE21 GLN 678 1HE2 GLN 678 -0.280 8.504 -1.418 657 HE22 GLN 678 2HE2 GLN 678 1.107 7.541 -1.867 658 H GLN 679 H GLN 679 1.452 4.320 -7.948 659 HA GLN 679 HA GLN 679 3.768 3.527 -6.228 660 HB2 GLN 679 1HB GLN 679 1.273 2.224 -6.782 661 HB3 GLN 679 2HB GLN 679 2.572 1.277 -7.504 662 HG2 GLN 679 1HG GLN 679 2.139 0.486 -5.273 663 HG3 GLN 679 2HG GLN 679 3.746 1.210 -5.348 664 HE21 GLN 679 1HE2 GLN 679 0.967 3.623 -3.516 665 HE22 GLN 679 2HE2 GLN 679 0.656 2.968 -5.105 666 H GLY 680 H GLY 680 2.567 3.801 -9.571 667 HA2 GLY 680 1HA GLY 680 5.199 3.656 -10.648 668 HA3 GLY 680 2HA GLY 680 4.426 2.071 -10.808 669 H LYS 681 H LYS 681 4.810 2.656 -13.167 670 HA LYS 681 HA LYS 681 2.557 4.350 -14.177 671 HB2 LYS 681 1HB LYS 681 5.358 3.926 -15.226 672 HB3 LYS 681 2HB LYS 681 4.036 4.408 -16.295 673 HG2 LYS 681 1HG LYS 681 3.693 6.158 -14.260 674 HG3 LYS 681 2HG LYS 681 5.446 5.972 -14.214 675 HD2 LYS 681 1HD LYS 681 4.410 6.304 -16.951 676 HD3 LYS 681 2HD LYS 681 3.949 7.643 -15.895 677 HE2 LYS 681 1HE LYS 681 6.746 6.860 -15.542 678 HE3 LYS 681 2HE LYS 681 6.368 7.330 -17.209 679 HZ1 LYS 681 1HZ LYS 681 5.683 8.986 -14.830 680 HZ2 LYS 681 2HZ LYS 681 5.525 9.425 -16.408 681 HZ3 LYS 681 3HZ LYS 681 7.028 9.222 -15.762 682 H SER 682 H SER 682 1.622 3.803 -16.172 683 HA SER 682 HA SER 682 1.146 0.897 -16.310 684 HB2 SER 682 1HB SER 682 -0.775 1.450 -17.572 685 HB3 SER 682 2HB SER 682 -0.648 2.767 -16.418 686 HG SER 682 HG SER 682 0.044 2.764 -19.166 687 H LYS 683 H LYS 683 0.954 -0.128 -18.501 688 HA LYS 683 HA LYS 683 3.310 0.367 -20.133 689 HB2 LYS 683 1HB LYS 683 0.979 -1.471 -20.081 690 HB3 LYS 683 2HB LYS 683 1.540 -1.038 -21.702 691 HG2 LYS 683 1HG LYS 683 3.769 -1.855 -21.215 692 HG3 LYS 683 2HG LYS 683 3.339 -2.149 -19.519 693 HD2 LYS 683 1HD LYS 683 3.324 -4.249 -20.784 694 HD3 LYS 683 2HD LYS 683 1.688 -3.852 -20.219 695 HE2 LYS 683 1HE LYS 683 1.093 -2.979 -22.421 696 HE3 LYS 683 2HE LYS 683 2.747 -3.252 -23.008 697 HZ1 LYS 683 1HZ LYS 683 0.874 -5.378 -22.130 698 HZ2 LYS 683 2HZ LYS 683 2.410 -5.628 -22.679 699 HZ3 LYS 683 3HZ LYS 683 1.259 -5.027 -23.695 700 H ALA 684 H ALA 684 3.303 1.336 -22.217 701 HA ALA 684 HA ALA 684 1.379 3.492 -22.524 702 HB1 ALA 684 1HB ALA 684 3.805 3.733 -23.116 703 HB2 ALA 684 2HB ALA 684 3.591 2.518 -24.403 704 HB3 ALA 684 3HB ALA 684 2.738 4.077 -24.497 705 H ALA 685 H ALA 685 -0.073 3.804 -24.199 706 HA ALA 685 HA ALA 685 -0.544 1.487 -26.036 707 HB1 ALA 685 1HB ALA 685 -2.951 1.927 -25.925 708 HB2 ALA 685 2HB ALA 685 -2.376 1.647 -24.265 709 HB3 ALA 685 3HB ALA 685 -2.691 3.305 -24.836 710 H HIS 686 H HIS 686 -0.859 2.251 -28.182 711 HA HIS 686 HA HIS 686 -0.832 5.159 -28.560 712 HB2 HIS 686 1HB HIS 686 1.017 5.081 -30.108 713 HB3 HIS 686 2HB HIS 686 1.503 4.468 -28.527 714 HD1 HIS 686 HD1 HIS 686 2.031 1.878 -28.353 715 HD2 HIS 686 HD2 HIS 686 1.141 3.244 -32.178 716 HE1 HIS 686 HE1 HIS 686 2.715 0.050 -29.956 717 H PHE 687 H PHE 687 -1.576 5.914 -30.542 718 HA PHE 687 HA PHE 687 -2.368 3.912 -32.541 719 HB2 PHE 687 1HB PHE 687 -4.652 4.333 -32.580 720 HB3 PHE 687 2HB PHE 687 -4.287 4.209 -30.857 721 HD1 PHE 687 HD1 PHE 687 -4.003 6.421 -29.520 722 HD2 PHE 687 HD2 PHE 687 -5.676 6.239 -33.482 723 HE1 PHE 687 HE1 PHE 687 -5.110 8.639 -29.157 724 HE2 PHE 687 HE2 PHE 687 -6.767 8.433 -33.129 725 HZ PHE 687 HZ PHE 687 -6.511 9.629 -30.962 726 H VAL 688 H VAL 688 -2.968 4.889 -34.589 727 HA VAL 688 HA VAL 688 -1.827 7.631 -34.951 728 HB VAL 688 HB VAL 688 -1.580 5.200 -36.811 729 HG11 VAL 688 1HG1 VAL 688 -0.410 8.009 -37.090 730 HG12 VAL 688 2HG1 VAL 688 -0.060 6.635 -38.160 731 HG13 VAL 688 3HG1 VAL 688 -1.698 7.305 -38.097 732 HG21 VAL 688 1HG2 VAL 688 0.872 5.360 -36.315 733 HG22 VAL 688 2HG2 VAL 688 0.515 6.594 -35.088 734 HG23 VAL 688 3HG2 VAL 688 -0.093 4.935 -34.890 735 H PHE 689 H PHE 689 -3.068 8.973 -36.350 736 HA PHE 689 HA PHE 689 -5.399 7.754 -37.723 737 HB2 PHE 689 1HB PHE 689 -6.143 8.137 -35.403 738 HB3 PHE 689 2HB PHE 689 -5.650 9.826 -35.515 739 HD1 PHE 689 HD1 PHE 689 -7.038 11.469 -36.619 740 HD2 PHE 689 HD2 PHE 689 -8.086 7.303 -36.739 741 HE1 PHE 689 HE1 PHE 689 -9.277 12.076 -37.497 742 HE2 PHE 689 HE2 PHE 689 -10.324 7.896 -37.650 743 HZ PHE 689 HZ PHE 689 -10.923 10.290 -38.035 744 H ARG 690 H ARG 690 -6.454 9.115 -39.227 745 HA ARG 690 HA ARG 690 -5.694 11.943 -39.507 746 HB2 ARG 690 1HB ARG 690 -5.794 10.799 -42.167 747 HB3 ARG 690 2HB ARG 690 -4.629 11.905 -41.475 748 HG2 ARG 690 1HG ARG 690 -3.278 10.253 -42.112 749 HG3 ARG 690 2HG ARG 690 -3.587 9.761 -40.451 750 HD2 ARG 690 1HD ARG 690 -5.250 8.131 -41.251 751 HD3 ARG 690 2HD ARG 690 -4.910 8.640 -42.927 752 HE ARG 690 HE ARG 690 -2.433 8.026 -41.639 753 HH11 ARG 690 1HH1 ARG 690 -5.268 6.270 -42.834 754 HH12 ARG 690 2HH1 ARG 690 -4.339 4.822 -43.121 755 HH21 ARG 690 1HH2 ARG 690 -1.348 6.219 -42.010 756 HH22 ARG 690 2HH2 ARG 690 -2.132 4.790 -42.664 757 H THR 691 H THR 691 -7.302 12.960 -40.969 758 HA THR 691 HA THR 691 -9.654 11.212 -41.569 759 HB THR 691 HB THR 691 -10.226 12.434 -39.499 760 HG1 THR 691 HG1 THR 691 -12.091 13.430 -40.310 761 HG21 THR 691 1HG2 THR 691 -9.457 14.896 -41.088 762 HG22 THR 691 2HG2 THR 691 -8.795 14.334 -39.537 763 HG23 THR 691 3HG2 THR 691 -10.462 14.941 -39.623 764 H HIS 692 H HIS 692 -11.112 12.774 -43.086 765 HA HIS 692 HA HIS 692 -11.335 13.659 -45.167 766 HB2 HIS 692 1HB HIS 692 -8.745 15.106 -44.524 767 HB3 HIS 692 2HB HIS 692 -9.733 15.403 -45.951 768 HD1 HIS 692 HD1 HIS 692 -10.585 17.731 -45.432 769 HD2 HIS 692 HD2 HIS 692 -11.231 15.053 -42.323 770 HE1 HIS 692 HE1 HIS 692 -12.020 18.924 -43.728 771 H HIS 693 H HIS 693 -8.738 11.605 -44.520 772 HA HIS 693 HA HIS 693 -7.658 11.417 -47.213 773 HB2 HIS 693 1HB HIS 693 -7.558 9.653 -44.734 774 HB3 HIS 693 2HB HIS 693 -6.839 9.161 -46.272 775 HD1 HIS 693 HD1 HIS 693 -6.590 12.543 -44.432 776 HD2 HIS 693 HD2 HIS 693 -4.211 9.506 -45.982 777 HE1 HIS 693 HE1 HIS 693 -4.191 13.275 -44.144 778 H HIS 694 H HIS 694 -8.413 10.168 -48.862 779 HA HIS 694 HA HIS 694 -10.588 8.201 -48.315 780 HB2 HIS 694 1HB HIS 694 -10.586 10.415 -50.413 781 HB3 HIS 694 2HB HIS 694 -11.663 9.014 -50.459 782 HD1 HIS 694 HD1 HIS 694 -11.031 12.139 -48.368 783 HD2 HIS 694 HD2 HIS 694 -13.869 9.142 -48.859 784 HE1 HIS 694 HE1 HIS 694 -13.065 12.841 -47.050 785 H HIS 695 H HIS 695 -10.704 6.597 -50.080 786 HA HIS 695 HA HIS 695 -8.467 6.581 -51.986 787 HB2 HIS 695 1HB HIS 695 -7.947 5.482 -49.553 788 HB3 HIS 695 2HB HIS 695 -8.682 4.090 -50.355 789 HD1 HIS 695 HD1 HIS 695 -7.281 3.013 -52.331 790 HD2 HIS 695 HD2 HIS 695 -5.503 6.335 -50.566 791 HE1 HIS 695 HE1 HIS 695 -4.902 3.098 -53.173 792 H HIS 696 H HIS 696 -8.614 4.401 -53.233 793 HA HIS 696 HA HIS 696 -11.327 3.249 -53.397 794 HB2 HIS 696 1HB HIS 696 -11.413 3.754 -55.865 795 HB3 HIS 696 2HB HIS 696 -11.580 5.196 -54.854 796 HD1 HIS 696 HD1 HIS 696 -9.012 3.446 -57.081 797 HD2 HIS 696 HD2 HIS 696 -9.641 7.143 -55.241 798 HE1 HIS 696 HE1 HIS 696 -7.228 5.002 -57.973 799 H HIS 697 H HIS 697 -11.130 1.461 -55.183 800 HA HIS 697 HA HIS 697 -8.652 -0.014 -54.745 801 HB2 HIS 697 1HB HIS 697 -9.752 -1.559 -56.483 802 HB3 HIS 697 2HB HIS 697 -10.583 -1.362 -54.935 803 HD1 HIS 697 HD1 HIS 697 -13.049 -1.171 -55.266 804 HD2 HIS 697 HD2 HIS 697 -10.925 0.600 -58.372 805 HE1 HIS 697 HE1 HIS 697 -14.760 -0.223 -56.866
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