NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
471083 | 2kva | 16772 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLU 578 1HT GLU 578 0.692 -22.943 12.466 2 H2 GLU 578 2HT GLU 578 0.090 -23.928 13.719 3 H3 GLU 578 3HT GLU 578 1.650 -24.140 13.171 4 HA GLU 578 HA GLU 578 2.333 -22.048 14.011 5 HB2 GLU 578 2HB GLU 578 -0.549 -21.757 14.936 6 HB3 GLU 578 1HB GLU 578 0.760 -20.695 15.409 7 HG2 GLU 578 2HG GLU 578 -0.545 -19.589 13.732 8 HG3 GLU 578 1HG GLU 578 0.996 -20.032 13.010 9 H ALA 579 H ALA 579 3.481 -22.380 15.794 10 HA ALA 579 HA ALA 579 2.442 -24.411 17.647 11 HB1 ALA 579 1HB ALA 579 4.771 -24.905 18.191 12 HB2 ALA 579 2HB ALA 579 5.305 -23.623 17.112 13 HB3 ALA 579 3HB ALA 579 4.508 -25.050 16.452 14 H GLU 580 H GLU 580 3.060 -21.183 17.238 15 HA GLU 580 HA GLU 580 2.963 -19.374 18.531 16 HB2 GLU 580 2HB GLU 580 2.000 -21.295 20.642 17 HB3 GLU 580 1HB GLU 580 2.038 -19.544 20.840 18 HG2 GLU 580 2HG GLU 580 0.566 -19.363 18.839 19 HG3 GLU 580 1HG GLU 580 0.450 -21.116 18.842 20 H ALA 581 H ALA 581 5.301 -21.134 18.396 21 HA ALA 581 HA ALA 581 6.780 -19.983 20.667 22 HB1 ALA 581 1HB ALA 581 8.462 -21.717 20.225 23 HB2 ALA 581 2HB ALA 581 7.443 -22.349 18.927 24 HB3 ALA 581 3HB ALA 581 6.884 -22.405 20.600 25 H GLU 582 H GLU 582 6.060 -19.767 17.479 26 HA GLU 582 HA GLU 582 8.394 -19.208 16.150 27 HB2 GLU 582 2HB GLU 582 5.681 -17.939 15.682 28 HB3 GLU 582 1HB GLU 582 7.023 -17.891 14.561 29 HG2 GLU 582 2HG GLU 582 5.523 -19.532 13.746 30 HG3 GLU 582 1HG GLU 582 6.879 -20.407 14.432 31 H PHE 583 H PHE 583 9.839 -17.722 16.410 32 HA PHE 583 HA PHE 583 9.639 -15.611 18.262 33 HB2 PHE 583 2HB PHE 583 11.780 -16.666 17.672 34 HB3 PHE 583 1HB PHE 583 11.637 -16.078 16.028 35 HD1 PHE 583 2HD PHE 583 12.040 -14.990 19.545 36 HD2 PHE 583 1HD PHE 583 12.448 -13.947 15.444 37 HE1 PHE 583 2HE PHE 583 13.268 -12.958 20.187 38 HE2 PHE 583 1HE PHE 583 13.675 -11.914 16.076 39 HZ PHE 583 HZ PHE 583 14.086 -11.415 18.450 40 H LEU 584 H LEU 584 9.101 -13.509 18.002 41 HA LEU 584 HA LEU 584 7.663 -12.745 15.703 42 HB2 LEU 584 2HB LEU 584 7.362 -10.556 16.726 43 HB3 LEU 584 1HB LEU 584 7.103 -11.804 17.912 44 HG LEU 584 HG LEU 584 9.533 -10.003 17.708 45 HD13 LEU 584 1HD LEU 584 8.724 -9.032 19.793 46 HD21 LEU 584 2HD LEU 584 10.192 -12.161 18.643 47 H SER 585 H SER 585 8.840 -12.837 13.888 48 HA SER 585 HA SER 585 11.146 -11.076 13.705 49 HB2 SER 585 2HB SER 585 11.818 -12.682 11.867 50 HB3 SER 585 1HB SER 585 11.862 -13.341 13.503 51 HG SER 585 HG SER 585 10.757 -14.561 11.660 52 H ARG 586 H ARG 586 11.497 -10.270 11.448 53 HA ARG 586 HA ARG 586 8.949 -9.878 10.069 54 HB2 ARG 586 2HB ARG 586 9.725 -7.774 11.187 55 HB3 ARG 586 1HB ARG 586 11.230 -7.901 10.300 56 HG2 ARG 586 2HG ARG 586 10.068 -7.612 8.200 57 HG3 ARG 586 1HG ARG 586 8.516 -7.585 9.033 58 HD2 ARG 586 2HD ARG 586 9.245 -5.323 8.494 59 HD3 ARG 586 1HD ARG 586 9.202 -5.563 10.238 60 HE ARG 586 HE ARG 586 11.767 -6.112 9.175 61 HH12 ARG 586 1HH ARG 586 10.936 -2.333 10.356 62 HH21 ARG 586 2HH ARG 586 13.133 -2.987 10.032 63 H THR 587 H THR 587 9.044 -11.000 8.346 64 HA THR 587 HA THR 587 11.583 -11.541 7.046 65 HB THR 587 HB THR 587 8.828 -12.643 6.462 66 HG1 THR 587 1HG THR 587 9.225 -14.132 7.941 67 HG21 THR 587 2HG THR 587 10.416 -12.907 4.652 68 H GLU 588 H GLU 588 12.023 -10.716 5.026 69 HA GLU 588 HA GLU 588 9.973 -8.911 3.977 70 HB2 GLU 588 2HB GLU 588 12.967 -8.685 3.776 71 HB3 GLU 588 1HB GLU 588 11.823 -7.619 2.965 72 HG2 GLU 588 2HG GLU 588 10.936 -6.920 5.115 73 HG3 GLU 588 1HG GLU 588 12.049 -8.010 5.935 74 H GLY 589 H GLY 589 9.496 -8.867 1.899 75 HA2 GLY 589 2HA GLY 589 10.614 -11.002 0.224 76 HA3 GLY 589 1HA GLY 589 8.983 -10.342 0.063 77 H ASP 590 H ASP 590 9.962 -10.144 -2.200 78 HA ASP 590 HA ASP 590 10.852 -7.385 -2.468 79 HB2 ASP 590 2HB ASP 590 12.956 -8.713 -2.370 80 HB3 ASP 590 1HB ASP 590 12.388 -9.675 -3.726 81 H ASN 591 H ASN 591 10.060 -6.457 -4.221 82 HA ASN 591 HA ASN 591 8.830 -6.046 -6.013 83 HB2 ASN 591 2HB ASN 591 10.603 -7.259 -7.236 84 HB3 ASN 591 1HB ASN 591 9.725 -8.762 -7.002 85 HD21 ASN 591 2HD ASN 591 8.497 -8.183 -10.218 86 H CYS 592 H CYS 592 7.076 -6.131 -4.493 87 HA CYS 592 HA CYS 592 4.830 -6.314 -4.249 88 HB2 CYS 592 2HB CYS 592 4.931 -7.900 -6.816 89 HB3 CYS 592 1HB CYS 592 3.483 -7.223 -6.084 90 H THR 593 H THR 593 6.793 -8.704 -3.480 91 HA THR 593 HA THR 593 4.611 -10.514 -2.872 92 HB THR 593 HB THR 593 6.107 -12.459 -3.317 93 HG1 THR 593 1HG THR 593 7.758 -10.608 -4.712 94 HG21 THR 593 2HG THR 593 4.465 -11.765 -5.023 95 H VAL 594 H VAL 594 5.026 -11.920 -1.128 96 HA VAL 594 HA VAL 594 7.320 -11.421 0.510 97 HB VAL 594 HB VAL 594 5.842 -9.735 1.406 98 HG13 VAL 594 1HG VAL 594 3.598 -10.237 2.265 99 HG21 VAL 594 2HG VAL 594 5.538 -10.492 3.690 100 H PHE 595 H PHE 595 8.068 -13.281 1.206 101 HA PHE 595 HA PHE 595 6.196 -15.433 1.699 102 HB2 PHE 595 2HB PHE 595 7.739 -17.056 0.643 103 HB3 PHE 595 1HB PHE 595 7.115 -15.901 -0.520 104 HD1 PHE 595 1HD PHE 595 8.616 -14.133 -1.422 105 HD2 PHE 595 2HD PHE 595 10.059 -17.221 1.132 106 HE1 PHE 595 1HE PHE 595 10.923 -13.642 -2.131 107 HE2 PHE 595 2HE PHE 595 12.358 -16.734 0.429 108 HZ PHE 595 HZ PHE 595 12.795 -14.943 -1.204 109 H ASP 596 H ASP 596 6.818 -16.834 3.286 110 HA ASP 596 HA ASP 596 9.101 -15.983 5.030 111 HB2 ASP 596 2HB ASP 596 6.732 -15.326 5.797 112 HB3 ASP 596 1HB ASP 596 6.441 -17.050 5.897 113 H SER 597 H SER 597 10.509 -17.596 4.956 114 HA SER 597 HA SER 597 9.825 -20.247 4.256 115 HB2 SER 597 2HB SER 597 12.378 -19.178 5.457 116 HB3 SER 597 1HB SER 597 12.180 -20.734 4.650 117 HG SER 597 HG SER 597 11.361 -19.348 2.828 118 H GLN 598 H GLN 598 9.698 -18.608 7.261 119 HA GLN 598 HA GLN 598 10.413 -20.829 8.968 120 HB2 GLN 598 2HB GLN 598 9.120 -18.172 9.558 121 HB3 GLN 598 1HB GLN 598 9.833 -19.260 10.739 122 HG2 GLN 598 2HG GLN 598 11.949 -18.639 10.232 123 HG3 GLN 598 1HG GLN 598 11.569 -18.376 8.528 124 HE21 GLN 598 2HE GLN 598 10.663 -15.062 8.734 125 H ALA 599 H ALA 599 7.521 -19.013 8.098 126 HA ALA 599 HA ALA 599 5.840 -20.991 9.473 127 HB1 ALA 599 1HB ALA 599 5.409 -18.618 9.897 128 HB2 ALA 599 2HB ALA 599 4.017 -19.403 9.152 129 HB3 ALA 599 3HB ALA 599 5.074 -18.376 8.184 130 H GLY 600 H GLY 600 6.893 -20.176 6.325 131 HA2 GLY 600 2HA GLY 600 6.520 -21.356 4.356 132 HA3 GLY 600 1HA GLY 600 5.366 -22.371 5.224 133 H PHE 601 H PHE 601 5.569 -18.925 4.770 134 HA PHE 601 HA PHE 601 2.752 -18.888 3.879 135 HB2 PHE 601 2HB PHE 601 3.240 -17.765 6.013 136 HB3 PHE 601 1HB PHE 601 4.501 -16.830 5.243 137 HD1 PHE 601 2HD PHE 601 3.941 -14.922 3.839 138 HD2 PHE 601 1HD PHE 601 0.917 -17.228 5.751 139 HE1 PHE 601 2HE PHE 601 2.325 -13.119 3.452 140 HE2 PHE 601 1HE PHE 601 -0.701 -15.415 5.366 141 HZ PHE 601 HZ PHE 601 -0.008 -13.375 4.226 142 H SER 602 H SER 602 2.359 -17.922 1.861 143 HA SER 602 HA SER 602 4.450 -16.287 0.748 144 HB2 SER 602 2HB SER 602 4.237 -17.519 -1.452 145 HB3 SER 602 1HB SER 602 5.062 -18.400 -0.167 146 HG SER 602 HG SER 602 2.398 -18.701 -1.069 147 H PHE 603 H PHE 603 3.579 -14.457 0.048 148 HA PHE 603 HA PHE 603 1.037 -14.594 -1.297 149 HB2 PHE 603 2HB PHE 603 1.452 -13.161 1.236 150 HB3 PHE 603 1HB PHE 603 0.703 -12.216 -0.039 151 HD1 PHE 603 1HD PHE 603 0.274 -15.165 2.107 152 HD2 PHE 603 2HD PHE 603 -1.465 -12.711 -0.890 153 HE1 PHE 603 1HE PHE 603 -1.906 -16.213 2.520 154 HE2 PHE 603 2HE PHE 603 -3.655 -13.750 -0.483 155 HZ PHE 603 HZ PHE 603 -3.880 -15.503 1.224 156 H ASP 604 H ASP 604 0.613 -13.145 -2.744 157 HA ASP 604 HA ASP 604 2.665 -11.189 -3.384 158 HB2 ASP 604 2HB ASP 604 2.263 -11.566 -5.800 159 HB3 ASP 604 1HB ASP 604 2.836 -13.038 -5.037 160 H LEU 605 H LEU 605 1.882 -9.234 -3.571 161 HA LEU 605 HA LEU 605 -1.044 -9.041 -3.466 162 HB2 LEU 605 2HB LEU 605 0.988 -7.061 -2.428 163 HB3 LEU 605 1HB LEU 605 -0.758 -6.909 -2.296 164 HG LEU 605 HG LEU 605 0.996 -8.938 -0.909 165 HD13 LEU 605 1HD LEU 605 -0.633 -6.657 0.174 166 HD21 LEU 605 2HD LEU 605 -1.134 -9.990 -1.491 167 H THR 606 H THR 606 0.947 -9.149 -5.763 168 HA THR 606 HA THR 606 1.041 -6.807 -7.121 169 HB THR 606 HB THR 606 0.616 -9.546 -8.343 170 HG1 THR 606 1HG THR 606 3.127 -9.286 -8.151 171 HG21 THR 606 2HG THR 606 0.693 -7.617 -9.863 172 HA PRO 607 HA PRO 607 -3.409 -7.845 -9.017 173 HB2 PRO 607 2HB PRO 607 -5.025 -9.420 -7.472 174 HB3 PRO 607 1HB PRO 607 -4.029 -10.066 -8.780 175 HG2 PRO 607 2HG PRO 607 -3.467 -9.987 -5.836 176 HG3 PRO 607 1HG PRO 607 -3.269 -11.331 -6.974 177 HD2 PRO 607 2HD PRO 607 -1.174 -9.869 -6.212 178 HD3 PRO 607 1HD PRO 607 -1.328 -10.435 -7.887 179 H LEU 608 H LEU 608 -2.614 -7.345 -5.714 180 HA LEU 608 HA LEU 608 -5.091 -5.970 -5.005 181 HB2 LEU 608 2HB LEU 608 -3.339 -7.444 -3.478 182 HB3 LEU 608 1HB LEU 608 -2.609 -5.854 -3.385 183 HG LEU 608 HG LEU 608 -5.408 -6.356 -2.448 184 HD13 LEU 608 1HD LEU 608 -3.861 -7.714 -1.179 185 HD21 LEU 608 2HD LEU 608 -3.407 -4.229 -1.885 186 H THR 609 H THR 609 -2.008 -5.415 -6.324 187 HA THR 609 HA THR 609 -1.697 -2.664 -5.667 188 HB THR 609 HB THR 609 -0.343 -4.410 -7.740 189 HG1 THR 609 1HG THR 609 -0.101 -5.044 -5.485 190 HG21 THR 609 2HG THR 609 -0.049 -2.017 -8.231 191 H LYS 610 H LYS 610 -2.289 -0.889 -6.906 192 HA LYS 610 HA LYS 610 -3.683 -1.453 -9.438 193 HB2 LYS 610 2HB LYS 610 -4.142 0.828 -7.572 194 HB3 LYS 610 1HB LYS 610 -5.021 0.532 -9.049 195 HG2 LYS 610 2HG LYS 610 -5.797 -1.663 -8.059 196 HG3 LYS 610 1HG LYS 610 -5.130 -1.079 -6.531 197 HD2 LYS 610 2HD LYS 610 -6.615 0.832 -6.582 198 HD3 LYS 610 1HD LYS 610 -7.266 0.311 -8.135 199 HE2 LYS 610 2HE LYS 610 -7.435 -1.194 -5.535 200 HE3 LYS 610 1HE LYS 610 -8.755 -0.312 -6.301 201 HZ1 LYS 610 3HZ LYS 610 -8.608 -1.893 -8.177 202 HZ2 LYS 610 1HZ LYS 610 -8.937 -2.667 -6.722 203 HZ3 LYS 610 2HZ LYS 610 -7.393 -2.745 -7.375 204 H LYS 611 H LYS 611 -2.880 -0.347 -11.150 205 HA LYS 611 HA LYS 611 -0.523 1.167 -10.735 206 HB2 LYS 611 2HB LYS 611 -0.560 1.624 -13.153 207 HB3 LYS 611 1HB LYS 611 -0.795 -0.080 -12.815 208 HG2 LYS 611 2HG LYS 611 -3.167 0.144 -13.228 209 HG3 LYS 611 1HG LYS 611 -2.972 1.880 -13.500 210 HD2 LYS 611 2HD LYS 611 -1.457 1.367 -15.372 211 HD3 LYS 611 1HD LYS 611 -1.757 -0.352 -15.115 212 HE2 LYS 611 2HE LYS 611 -4.116 -0.027 -15.545 213 HE3 LYS 611 1HE LYS 611 -3.858 1.704 -15.764 214 HZ1 LYS 611 3HZ LYS 611 -2.433 1.180 -17.658 215 HZ2 LYS 611 1HZ LYS 611 -3.992 0.581 -17.875 216 HZ3 LYS 611 2HZ LYS 611 -2.752 -0.463 -17.456 217 H ASP 612 H ASP 612 -3.860 1.888 -10.831 218 HA ASP 612 HA ASP 612 -3.558 4.732 -11.284 219 HB2 ASP 612 2HB ASP 612 -5.598 3.557 -12.026 220 HB3 ASP 612 1HB ASP 612 -5.953 3.115 -10.365 221 H ALA 613 H ALA 613 -3.328 2.593 -8.727 222 HA ALA 613 HA ALA 613 -2.729 2.722 -6.602 223 HB1 ALA 613 1HB ALA 613 -1.222 4.503 -7.325 224 HB2 ALA 613 2HB ALA 613 -1.770 4.731 -5.661 225 HB3 ALA 613 3HB ALA 613 -2.468 5.692 -6.967 226 H TYR 614 H TYR 614 -3.199 3.690 -4.479 227 HA TYR 614 HA TYR 614 -6.102 3.926 -4.113 228 HB2 TYR 614 2HB TYR 614 -3.872 3.097 -2.275 229 HB3 TYR 614 1HB TYR 614 -5.522 3.314 -1.719 230 HD1 TYR 614 2HD TYR 614 -3.382 1.395 -4.052 231 HD2 TYR 614 1HD TYR 614 -7.095 1.584 -2.008 232 HE1 TYR 614 2HE TYR 614 -3.861 -0.859 -4.766 233 HE2 TYR 614 1HE TYR 614 -7.607 -0.709 -2.718 234 HH TYR 614 HH TYR 614 -5.287 -2.748 -4.196 235 H LYS 615 H LYS 615 -6.969 5.445 -2.669 236 HA LYS 615 HA LYS 615 -5.194 7.647 -2.003 237 HB2 LYS 615 2HB LYS 615 -7.056 9.218 -2.491 238 HB3 LYS 615 1HB LYS 615 -6.420 8.386 -3.887 239 HG2 LYS 615 2HG LYS 615 -8.705 8.377 -4.241 240 HG3 LYS 615 1HG LYS 615 -8.375 6.769 -3.598 241 HD2 LYS 615 2HD LYS 615 -10.416 7.651 -2.611 242 HD3 LYS 615 1HD LYS 615 -9.159 7.497 -1.385 243 HE2 LYS 615 2HE LYS 615 -8.713 9.871 -1.504 244 HE3 LYS 615 1HE LYS 615 -9.864 10.063 -2.818 245 HZ1 LYS 615 3HZ LYS 615 -11.626 9.360 -1.305 246 HZ2 LYS 615 1HZ LYS 615 -10.841 10.709 -0.681 247 HZ3 LYS 615 2HZ LYS 615 -10.543 9.163 -0.063 248 H VAL 616 H VAL 616 -5.451 8.618 -0.071 249 HA VAL 616 HA VAL 616 -7.578 7.659 1.760 250 HB VAL 616 HB VAL 616 -4.766 8.399 2.577 251 HG13 VAL 616 1HG VAL 616 -6.938 6.988 4.079 252 HG21 VAL 616 2HG VAL 616 -5.799 5.605 2.158 253 H GLU 617 H GLU 617 -8.461 9.460 2.966 254 HA GLU 617 HA GLU 617 -6.937 11.898 2.620 255 HB2 GLU 617 2HB GLU 617 -8.955 13.230 2.201 256 HB3 GLU 617 1HB GLU 617 -8.574 12.096 0.920 257 HG2 GLU 617 2HG GLU 617 -10.315 10.604 1.705 258 HG3 GLU 617 1HG GLU 617 -10.676 11.711 3.030 259 H THR 618 H THR 618 -6.929 13.348 4.142 260 HA THR 618 HA THR 618 -8.603 12.921 6.486 261 HB THR 618 HB THR 618 -6.691 13.726 7.884 262 HG1 THR 618 1HG THR 618 -5.305 13.568 5.413 263 HG21 THR 618 2HG THR 618 -6.046 11.294 6.222 264 H ASP 619 H ASP 619 -8.265 15.211 7.794 265 HA ASP 619 HA ASP 619 -9.229 17.159 5.947 266 HB2 ASP 619 2HB ASP 619 -8.553 17.391 8.887 267 HB3 ASP 619 1HB ASP 619 -9.248 18.702 7.942 268 H LYS 620 H LYS 620 -6.172 16.443 7.391 269 HA LYS 620 HA LYS 620 -5.063 18.971 6.531 270 HB2 LYS 620 2HB LYS 620 -3.670 16.608 7.788 271 HB3 LYS 620 1HB LYS 620 -2.889 18.126 7.385 272 HG2 LYS 620 2HG LYS 620 -4.462 19.268 8.942 273 HG3 LYS 620 1HG LYS 620 -5.072 17.684 9.407 274 HD2 LYS 620 2HD LYS 620 -2.216 18.638 9.713 275 HD3 LYS 620 1HD LYS 620 -3.403 18.537 11.006 276 HE2 LYS 620 2HE LYS 620 -3.519 16.083 10.656 277 HE3 LYS 620 1HE LYS 620 -2.278 16.227 9.415 278 HZ1 LYS 620 3HZ LYS 620 -1.316 15.575 11.556 279 HZ2 LYS 620 1HZ LYS 620 -1.949 16.955 12.275 280 HZ3 LYS 620 2HZ LYS 620 -0.745 17.085 11.110 281 H TYR 621 H TYR 621 -4.622 15.537 5.580 282 HA TYR 621 HA TYR 621 -3.362 16.544 3.093 283 HB2 TYR 621 2HB TYR 621 -2.399 14.087 4.544 284 HB3 TYR 621 1HB TYR 621 -1.646 14.913 3.195 285 HD1 TYR 621 2HD TYR 621 -0.699 17.276 3.669 286 HD2 TYR 621 1HD TYR 621 -1.773 14.503 6.705 287 HE1 TYR 621 2HE TYR 621 0.708 18.486 5.256 288 HE2 TYR 621 1HE TYR 621 -0.386 15.669 8.311 289 HH TYR 621 HH TYR 621 1.580 17.198 8.276 290 H GLU 622 H GLU 622 -3.530 15.076 1.341 291 HA GLU 622 HA GLU 622 -5.203 12.749 1.828 292 HB2 GLU 622 2HB GLU 622 -5.890 12.843 -0.537 293 HB3 GLU 622 1HB GLU 622 -6.354 14.306 0.309 294 HG2 GLU 622 2HG GLU 622 -4.532 15.512 -0.702 295 HG3 GLU 622 1HG GLU 622 -3.938 14.031 -1.453 296 H PHE 623 H PHE 623 -4.358 10.868 1.253 297 HA PHE 623 HA PHE 623 -1.534 10.964 0.434 298 HB2 PHE 623 2HB PHE 623 -2.953 8.821 2.029 299 HB3 PHE 623 1HB PHE 623 -1.246 8.897 1.654 300 HD1 PHE 623 2HD PHE 623 -3.941 10.394 3.670 301 HD2 PHE 623 1HD PHE 623 0.242 10.272 2.907 302 HE1 PHE 623 2HE PHE 623 -3.533 11.625 5.755 303 HE2 PHE 623 1HE PHE 623 0.657 11.503 4.995 304 HZ PHE 623 HZ PHE 623 -1.230 12.181 6.421 305 H HIS 624 H HIS 624 -0.906 9.709 -1.234 306 HA HIS 624 HA HIS 624 -2.901 7.895 -2.330 307 HB2 HIS 624 2HB HIS 624 -0.907 9.620 -3.843 308 HB3 HIS 624 1HB HIS 624 -1.896 8.366 -4.583 309 HD1 HIS 624 1HD HIS 624 -4.324 8.962 -5.147 310 HD2 HIS 624 2HD HIS 624 -2.389 11.961 -3.006 311 HE1 HIS 624 1HE HIS 624 -5.906 10.918 -5.132 312 HE2 HIS 624 2HE HIS 624 -4.794 12.659 -3.719 313 H ILE 625 H ILE 625 -2.286 5.885 -2.311 314 HA ILE 625 HA ILE 625 0.571 5.243 -1.862 315 HB ILE 625 HB ILE 625 -1.745 3.963 -0.369 316 HG12 ILE 625 1HG ILE 625 0.146 6.116 0.626 317 HG23 ILE 625 2HG ILE 625 0.010 3.067 1.096 318 HD11 ILE 625 1HD ILE 625 -2.101 4.724 2.059 319 H ASN 626 H ASN 626 1.076 3.051 -2.494 320 HA ASN 626 HA ASN 626 -1.009 1.508 -3.731 321 HB2 ASN 626 2HB ASN 626 0.009 2.975 -5.530 322 HB3 ASN 626 1HB ASN 626 1.545 2.154 -5.215 323 HD21 ASN 626 2HD ASN 626 0.469 0.323 -7.968 324 H VAL 627 H VAL 627 -0.303 -0.720 -4.008 325 HA VAL 627 HA VAL 627 0.958 -1.552 -1.634 326 HB VAL 627 HB VAL 627 0.354 -3.253 -4.044 327 HG13 VAL 627 1HG VAL 627 0.755 -4.002 -1.154 328 HG21 VAL 627 2HG VAL 627 -1.739 -3.780 -2.946 329 H CYS 628 H CYS 628 2.053 -1.628 -4.871 330 HA CYS 628 HA CYS 628 4.752 -1.592 -3.941 331 HB2 CYS 628 2HB CYS 628 5.510 -3.446 -5.352 332 HB3 CYS 628 1HB CYS 628 4.375 -3.990 -4.127 333 H GLY 629 H GLY 629 6.106 -0.586 -5.278 334 HA2 GLY 629 2HA GLY 629 6.871 0.166 -7.372 335 HA3 GLY 629 1HA GLY 629 5.247 -0.085 -8.014 336 HA PRO 630 HA PRO 630 5.201 4.301 -7.036 337 HB2 PRO 630 2HB PRO 630 4.607 5.219 -9.453 338 HB3 PRO 630 1HB PRO 630 6.236 4.671 -9.054 339 HG2 PRO 630 2HG PRO 630 4.210 3.393 -10.777 340 HG3 PRO 630 1HG PRO 630 5.967 3.182 -10.766 341 HD2 PRO 630 2HD PRO 630 3.943 1.522 -9.519 342 HD3 PRO 630 1HD PRO 630 5.697 1.255 -9.600 343 H VAL 631 H VAL 631 3.511 5.903 -7.251 344 HA VAL 631 HA VAL 631 0.815 4.775 -7.520 345 HB VAL 631 HB VAL 631 0.015 6.724 -6.221 346 HG13 VAL 631 1HG VAL 631 1.014 6.184 -4.062 347 HG21 VAL 631 2HG VAL 631 1.700 8.375 -6.850 348 H SER 632 H SER 632 -0.595 5.743 -8.962 349 HA SER 632 HA SER 632 0.720 7.693 -10.712 350 HB2 SER 632 2HB SER 632 -0.458 5.752 -11.757 351 HB3 SER 632 1HB SER 632 -1.966 6.324 -11.056 352 HG SER 632 HG SER 632 -2.147 7.704 -12.571 353 H VAL 633 H VAL 633 0.355 9.776 -10.487 354 HA VAL 633 HA VAL 633 -2.171 10.873 -9.558 355 HB VAL 633 HB VAL 633 0.432 11.622 -8.168 356 HG13 VAL 633 1HG VAL 633 -2.392 12.476 -7.594 357 HG21 VAL 633 2HG VAL 633 -1.856 10.070 -6.974 358 H GLY 634 H GLY 634 -2.488 12.683 -10.811 359 HA2 GLY 634 2HA GLY 634 -0.358 13.645 -12.502 360 HA3 GLY 634 1HA GLY 634 -2.005 14.261 -12.435 361 H ALA 635 H ALA 635 0.497 13.953 -10.035 362 HA ALA 635 HA ALA 635 1.046 16.752 -9.743 363 HB1 ALA 635 1HB ALA 635 0.103 17.113 -7.515 364 HB2 ALA 635 2HB ALA 635 -0.588 15.490 -7.528 365 HB3 ALA 635 3HB ALA 635 -1.176 16.708 -8.660 366 H CYS 636 H CYS 636 1.595 13.456 -9.012 367 HA CYS 636 HA CYS 636 3.957 14.170 -7.438 368 HB2 CYS 636 2HB CYS 636 2.255 11.656 -7.197 369 HB3 CYS 636 1HB CYS 636 3.701 12.012 -6.270 370 HA PRO 637 HA PRO 637 6.100 12.207 -10.747 371 HB2 PRO 637 2HB PRO 637 8.197 11.014 -9.434 372 HB3 PRO 637 1HB PRO 637 8.126 12.741 -9.788 373 HG2 PRO 637 2HG PRO 637 7.466 11.299 -7.253 374 HG3 PRO 637 1HG PRO 637 8.344 12.821 -7.479 375 HD2 PRO 637 2HD PRO 637 5.773 12.756 -6.714 376 HD3 PRO 637 1HD PRO 637 6.413 14.044 -7.756 377 HA PRO 638 HA PRO 638 4.481 7.959 -10.600 378 HB2 PRO 638 2HB PRO 638 5.864 7.579 -13.161 379 HB3 PRO 638 1HB PRO 638 4.133 7.544 -12.822 380 HG2 PRO 638 2HG PRO 638 5.246 9.546 -14.210 381 HG3 PRO 638 1HG PRO 638 3.896 9.830 -13.099 382 HD2 PRO 638 2HD PRO 638 6.829 10.304 -12.687 383 HD3 PRO 638 1HD PRO 638 5.429 11.337 -12.288 384 H ASP 639 H ASP 639 7.193 8.708 -9.596 385 HA ASP 639 HA ASP 639 8.409 6.044 -9.730 386 HB2 ASP 639 2HB ASP 639 9.746 7.742 -10.995 387 HB3 ASP 639 1HB ASP 639 9.876 8.696 -9.524 388 H SER 640 H SER 640 6.551 7.854 -7.950 389 HA SER 640 HA SER 640 7.927 7.205 -5.450 390 HB2 SER 640 2HB SER 640 6.490 8.931 -4.371 391 HB3 SER 640 1HB SER 640 7.522 9.633 -5.612 392 HG SER 640 HG SER 640 5.664 9.553 -7.032 393 H GLY 641 H GLY 641 6.860 5.866 -4.013 394 HA2 GLY 641 2HA GLY 641 4.420 4.676 -5.117 395 HA3 GLY 641 1HA GLY 641 5.487 3.877 -3.987 396 H ALA 642 H ALA 642 5.213 6.924 -2.929 397 HA ALA 642 HA ALA 642 2.584 6.775 -1.775 398 HB1 ALA 642 1HB ALA 642 3.401 7.029 0.537 399 HB2 ALA 642 2HB ALA 642 5.059 6.834 -0.037 400 HB3 ALA 642 3HB ALA 642 3.917 5.497 -0.169 401 H CYS 643 H CYS 643 1.803 8.820 -1.872 402 HA CYS 643 HA CYS 643 3.603 11.087 -1.462 403 HB2 CYS 643 2HB CYS 643 3.630 10.673 -3.902 404 HB3 CYS 643 1HB CYS 643 1.883 10.767 -3.936 405 H GLN 644 H GLN 644 2.649 12.793 -0.479 406 HA GLN 644 HA GLN 644 -0.247 12.593 -0.077 407 HB2 GLN 644 2HB GLN 644 0.029 13.681 2.105 408 HB3 GLN 644 1HB GLN 644 0.884 12.152 2.058 409 HG2 GLN 644 2HG GLN 644 3.000 13.407 1.717 410 HG3 GLN 644 1HG GLN 644 2.054 14.891 1.755 411 HE21 GLN 644 2HE GLN 644 3.546 14.045 5.119 412 H VAL 645 H VAL 645 -1.422 14.317 -0.412 413 HA VAL 645 HA VAL 645 -0.050 16.788 -1.182 414 HB VAL 645 HB VAL 645 -2.771 15.807 -2.114 415 HG13 VAL 645 1HG VAL 645 -2.627 18.226 -2.032 416 HG21 VAL 645 2HG VAL 645 -0.161 15.881 -3.637 417 H SER 646 H SER 646 -0.437 18.377 0.169 418 HA SER 646 HA SER 646 -2.165 18.051 2.385 419 HB2 SER 646 2HB SER 646 -0.116 19.344 2.587 420 HB3 SER 646 1HB SER 646 -0.680 20.485 1.375 421 HG SER 646 HG SER 646 -1.210 20.332 4.021 422 H ARG 647 H ARG 647 -4.089 18.907 2.767 423 HA ARG 647 HA ARG 647 -5.498 20.043 0.475 424 HB2 ARG 647 2HB ARG 647 -6.566 19.016 3.122 425 HB3 ARG 647 1HB ARG 647 -7.557 19.583 1.782 426 HG2 ARG 647 2HG ARG 647 -6.760 17.765 0.383 427 HG3 ARG 647 1HG ARG 647 -5.697 17.211 1.677 428 HD2 ARG 647 2HD ARG 647 -7.680 15.840 1.618 429 HD3 ARG 647 1HD ARG 647 -7.682 16.810 3.082 430 HE ARG 647 HE ARG 647 -9.148 17.923 0.852 431 HH12 ARG 647 1HH ARG 647 -11.034 16.147 3.976 432 HH21 ARG 647 2HH ARG 647 -12.264 17.325 2.356 433 H SER 648 H SER 648 -4.406 20.744 3.716 434 HA SER 648 HA SER 648 -5.780 23.272 3.859 435 HB2 SER 648 2HB SER 648 -3.614 22.110 5.614 436 HB3 SER 648 1HB SER 648 -4.618 23.510 5.994 437 HG SER 648 HG SER 648 -6.302 21.630 5.397 438 H ASP 649 H ASP 649 -2.432 22.175 3.262 439 HA ASP 649 HA ASP 649 -1.645 24.980 2.831 440 HB2 ASP 649 2HB ASP 649 -0.438 23.744 4.603 441 HB3 ASP 649 1HB ASP 649 0.057 22.547 3.419 442 H ARG 650 H ARG 650 -2.466 22.256 1.233 443 HA ARG 650 HA ARG 650 -2.378 21.409 -0.805 444 HB2 ARG 650 2HB ARG 650 -2.127 24.316 -1.478 445 HB3 ARG 650 1HB ARG 650 -2.570 23.054 -2.630 446 HG2 ARG 650 2HG ARG 650 -4.507 22.479 -1.277 447 HG3 ARG 650 1HG ARG 650 -4.060 23.709 -0.102 448 HD2 ARG 650 2HD ARG 650 -4.293 25.397 -1.778 449 HD3 ARG 650 1HD ARG 650 -4.771 24.177 -2.977 450 HE ARG 650 HE ARG 650 -6.321 24.272 -0.542 451 HH12 ARG 650 1HH ARG 650 -7.757 25.774 -4.029 452 HH21 ARG 650 2HH ARG 650 -9.196 25.457 -2.207 453 H LYS 651 H LYS 651 0.322 21.696 0.440 454 HA LYS 651 HA LYS 651 1.928 21.578 -1.989 455 HB2 LYS 651 2HB LYS 651 2.705 21.446 0.914 456 HB3 LYS 651 1HB LYS 651 3.842 21.205 -0.398 457 HG2 LYS 651 2HG LYS 651 3.360 23.461 -1.208 458 HG3 LYS 651 1HG LYS 651 2.217 23.653 0.125 459 HD2 LYS 651 2HD LYS 651 4.049 23.335 1.731 460 HD3 LYS 651 1HD LYS 651 5.188 23.152 0.395 461 HE2 LYS 651 2HE LYS 651 4.681 25.426 -0.335 462 HE3 LYS 651 1HE LYS 651 3.543 25.604 1.004 463 HZ1 LYS 651 3HZ LYS 651 5.658 26.601 1.549 464 HZ2 LYS 651 1HZ LYS 651 6.469 25.147 1.260 465 HZ3 LYS 651 2HZ LYS 651 5.388 25.255 2.529 466 H SER 652 H SER 652 3.422 19.762 -2.148 467 HA SER 652 HA SER 652 2.148 17.290 -1.210 468 HB2 SER 652 2HB SER 652 2.741 16.288 -3.448 469 HB3 SER 652 1HB SER 652 1.485 17.524 -3.491 470 HG SER 652 HG SER 652 4.176 17.678 -4.313 471 H TRP 653 H TRP 653 3.458 15.600 -0.696 472 HA TRP 653 HA TRP 653 6.375 15.976 -0.904 473 HB2 TRP 653 2HB TRP 653 4.912 15.067 1.589 474 HB3 TRP 653 1HB TRP 653 6.648 15.095 1.377 475 HD1 TRP 653 HD TRP 653 7.859 17.455 1.698 476 HE1 TRP 653 1HE TRP 653 7.075 19.649 2.782 477 HE3 TRP 653 3HE TRP 653 2.878 16.541 1.778 478 HZ2 TRP 653 2HZ TRP 653 4.619 20.847 3.540 479 HZ3 TRP 653 3HZ TRP 653 1.367 18.196 2.678 480 HH2 TRP 653 HH TRP 653 2.197 20.334 3.553 481 H ASN 654 H ASN 654 7.479 14.020 -1.102 482 HA ASN 654 HA ASN 654 5.829 11.700 -1.672 483 HB2 ASN 654 2HB ASN 654 8.836 12.070 -1.781 484 HB3 ASN 654 1HB ASN 654 8.017 10.569 -2.163 485 HD21 ASN 654 2HD ASN 654 8.869 12.576 -5.186 486 H LEU 655 H LEU 655 5.649 9.983 -0.338 487 HA LEU 655 HA LEU 655 7.082 10.235 2.205 488 HB2 LEU 655 2HB LEU 655 4.718 8.485 1.600 489 HB3 LEU 655 1HB LEU 655 5.507 8.678 3.143 490 HG LEU 655 HG LEU 655 4.719 11.171 2.875 491 HD13 LEU 655 1HD LEU 655 2.853 9.750 1.116 492 HD21 LEU 655 2HD LEU 655 2.886 8.903 3.541 493 H GLY 656 H GLY 656 7.525 8.963 -0.607 494 HA2 GLY 656 2HA GLY 656 9.662 7.594 -0.018 495 HA3 GLY 656 1HA GLY 656 8.457 6.357 0.221 496 H ARG 657 H ARG 657 10.627 6.925 -1.702 497 HA ARG 657 HA ARG 657 9.549 7.341 -4.259 498 HB2 ARG 657 2HB ARG 657 11.912 7.737 -3.571 499 HB3 ARG 657 1HB ARG 657 12.104 6.001 -3.379 500 HG2 ARG 657 2HG ARG 657 11.832 5.634 -5.655 501 HG3 ARG 657 1HG ARG 657 11.395 7.332 -5.964 502 HD2 ARG 657 2HD ARG 657 13.674 7.928 -5.117 503 HD3 ARG 657 1HD ARG 657 14.036 6.200 -5.070 504 HE ARG 657 HE ARG 657 13.025 6.930 -7.589 505 HH12 ARG 657 1HH ARG 657 17.002 7.316 -6.930 506 HH21 ARG 657 2HH ARG 657 16.139 7.275 -9.173 507 H SER 658 H SER 658 9.268 5.574 -5.892 508 HA SER 658 HA SER 658 7.700 3.527 -5.049 509 HB2 SER 658 2HB SER 658 8.106 2.538 -7.283 510 HB3 SER 658 1HB SER 658 7.597 4.220 -7.259 511 HG SER 658 HG SER 658 9.422 3.579 -8.662 512 H ASN 659 H ASN 659 7.842 1.486 -4.599 513 HA ASN 659 HA ASN 659 10.285 0.033 -4.468 514 HB2 ASN 659 2HB ASN 659 10.728 1.360 -2.567 515 HB3 ASN 659 1HB ASN 659 9.038 1.348 -2.081 516 HD21 ASN 659 2HD ASN 659 9.235 -1.456 -0.150 517 H ALA 660 H ALA 660 9.812 -2.140 -3.906 518 HA ALA 660 HA ALA 660 6.926 -2.736 -3.752 519 HB1 ALA 660 1HB ALA 660 8.963 -4.094 -5.508 520 HB2 ALA 660 2HB ALA 660 7.696 -2.998 -6.045 521 HB3 ALA 660 3HB ALA 660 7.274 -4.567 -5.351 522 H LYS 661 H LYS 661 9.365 -2.816 -1.868 523 HA LYS 661 HA LYS 661 9.662 -5.566 -1.172 524 HB2 LYS 661 2HB LYS 661 10.439 -3.058 0.308 525 HB3 LYS 661 1HB LYS 661 10.804 -4.703 0.829 526 HG2 LYS 661 2HG LYS 661 12.146 -5.082 -1.111 527 HG3 LYS 661 1HG LYS 661 11.676 -3.527 -1.781 528 HD2 LYS 661 2HD LYS 661 13.916 -3.463 -0.876 529 HD3 LYS 661 1HD LYS 661 12.857 -2.367 0.007 530 HE2 LYS 661 2HE LYS 661 13.591 -5.146 0.990 531 HE3 LYS 661 1HE LYS 661 14.533 -3.716 1.387 532 HZ1 LYS 661 3HZ LYS 661 12.952 -4.346 3.142 533 HZ2 LYS 661 1HZ LYS 661 11.652 -4.090 2.125 534 HZ3 LYS 661 2HZ LYS 661 12.641 -2.815 2.560 535 H LEU 662 H LEU 662 8.090 -6.693 -0.249 536 HA LEU 662 HA LEU 662 6.263 -5.418 1.640 537 HB2 LEU 662 2HB LEU 662 6.244 -8.132 0.326 538 HB3 LEU 662 1HB LEU 662 5.032 -7.621 1.505 539 HG LEU 662 HG LEU 662 5.501 -6.621 -1.296 540 HD13 LEU 662 1HD LEU 662 3.248 -7.439 -1.675 541 HD21 LEU 662 2HD LEU 662 3.584 -5.166 -0.966 542 H SER 663 H SER 663 5.962 -6.378 3.750 543 HA SER 663 HA SER 663 8.157 -8.123 4.612 544 HB2 SER 663 2HB SER 663 7.108 -5.685 6.063 545 HB3 SER 663 1HB SER 663 8.354 -6.786 6.660 546 HG SER 663 HG SER 663 8.906 -5.929 4.176 547 H TYR 664 H TYR 664 7.638 -9.391 6.496 548 HA TYR 664 HA TYR 664 4.779 -9.526 7.196 549 HB2 TYR 664 2HB TYR 664 5.604 -11.342 5.581 550 HB3 TYR 664 1HB TYR 664 6.616 -11.903 6.901 551 HD1 TYR 664 2HD TYR 664 3.084 -11.037 6.229 552 HD2 TYR 664 1HD TYR 664 5.750 -13.663 8.228 553 HE1 TYR 664 2HE TYR 664 1.207 -12.360 6.897 554 HE2 TYR 664 1HE TYR 664 3.857 -15.050 8.926 555 HH TYR 664 HH TYR 664 0.726 -14.679 7.618 556 H TYR 665 H TYR 665 4.659 -9.077 9.307 557 HA TYR 665 HA TYR 665 6.917 -9.870 11.001 558 HB2 TYR 665 2HB TYR 665 6.889 -7.470 10.761 559 HB3 TYR 665 1HB TYR 665 5.186 -7.405 11.190 560 HD1 TYR 665 1HD TYR 665 8.515 -8.393 12.562 561 HD2 TYR 665 2HD TYR 665 4.587 -7.009 13.405 562 HE1 TYR 665 1HE TYR 665 9.149 -8.030 14.905 563 HE2 TYR 665 2HE TYR 665 5.207 -6.652 15.749 564 HH TYR 665 HH TYR 665 8.424 -6.677 16.765 565 H ASP 666 H ASP 666 6.260 -11.657 11.878 566 HA ASP 666 HA ASP 666 5.152 -13.170 13.150 567 HB2 ASP 666 2HB ASP 666 5.777 -11.429 14.851 568 HB3 ASP 666 1HB ASP 666 4.193 -10.700 14.648 569 H GLY 667 H GLY 667 3.734 -12.158 10.823 570 HA2 GLY 667 2HA GLY 667 1.759 -13.382 10.118 571 HA3 GLY 667 1HA GLY 667 1.022 -12.982 11.645 572 H MET 668 H MET 668 2.324 -10.192 11.140 573 HA MET 668 HA MET 668 0.050 -9.222 9.584 574 HB2 MET 668 2HB MET 668 2.042 -7.734 11.301 575 HB3 MET 668 1HB MET 668 0.695 -6.988 10.456 576 HG2 MET 668 2HG MET 668 -0.876 -8.305 11.810 577 HG3 MET 668 1HG MET 668 0.481 -9.046 12.647 578 HE1 MET 668 3HE MET 668 2.005 -5.990 14.594 579 HE2 MET 668 1HE MET 668 2.475 -6.545 12.986 580 HE3 MET 668 2HE MET 668 2.133 -7.718 14.252 581 H ILE 669 H ILE 669 0.368 -8.817 7.490 582 HA ILE 669 HA ILE 669 3.022 -8.584 6.417 583 HB ILE 669 HB ILE 669 0.347 -8.055 5.047 584 HG12 ILE 669 1HG ILE 669 2.215 -10.284 4.691 585 HG23 ILE 669 2HG ILE 669 2.302 -6.902 3.947 586 HD11 ILE 669 1HD ILE 669 0.346 -11.502 3.638 587 H GLN 670 H GLN 670 4.017 -6.814 5.889 588 HA GLN 670 HA GLN 670 2.658 -4.259 6.340 589 HB2 GLN 670 2HB GLN 670 5.478 -4.849 7.288 590 HB3 GLN 670 1HB GLN 670 4.627 -3.321 7.453 591 HG2 GLN 670 2HG GLN 670 2.935 -4.519 8.864 592 HG3 GLN 670 1HG GLN 670 3.987 -5.930 8.814 593 HE21 GLN 670 2HE GLN 670 4.759 -2.799 11.240 594 H LEU 671 H LEU 671 3.680 -2.481 5.267 595 HA LEU 671 HA LEU 671 5.188 -3.253 2.822 596 HB2 LEU 671 2HB LEU 671 2.575 -2.541 2.826 597 HB3 LEU 671 1HB LEU 671 3.294 -0.957 2.920 598 HG LEU 671 HG LEU 671 3.428 -2.942 0.676 599 HD13 LEU 671 1HD LEU 671 1.437 -1.647 0.685 600 HD21 LEU 671 2HD LEU 671 5.671 -2.001 0.721 601 H THR 672 H THR 672 6.883 -1.706 2.483 602 HA THR 672 HA THR 672 6.855 0.590 4.288 603 HB THR 672 HB THR 672 9.236 -1.265 4.026 604 HG1 THR 672 1HG THR 672 7.072 -1.117 5.757 605 HG21 THR 672 2HG THR 672 10.160 0.086 5.868 606 H TYR 673 H TYR 673 7.093 2.291 3.105 607 HA TYR 673 HA TYR 673 8.707 2.153 0.664 608 HB2 TYR 673 2HB TYR 673 6.576 4.080 1.511 609 HB3 TYR 673 1HB TYR 673 7.731 4.488 0.251 610 HD1 TYR 673 1HD TYR 673 7.907 3.103 -1.734 611 HD2 TYR 673 2HD TYR 673 4.753 2.621 1.045 612 HE1 TYR 673 1HE TYR 673 6.646 1.944 -3.426 613 HE2 TYR 673 2HE TYR 673 3.442 1.423 -0.657 614 HH TYR 673 HH TYR 673 3.321 1.053 -2.960 615 H ARG 674 H ARG 674 10.360 3.517 0.263 616 HA ARG 674 HA ARG 674 11.286 5.115 2.504 617 HB2 ARG 674 2HB ARG 674 13.546 4.226 2.201 618 HB3 ARG 674 1HB ARG 674 12.413 2.960 2.647 619 HG2 ARG 674 2HG ARG 674 12.303 2.280 0.270 620 HG3 ARG 674 1HG ARG 674 13.525 3.497 -0.106 621 HD2 ARG 674 2HD ARG 674 13.837 1.155 1.766 622 HD3 ARG 674 1HD ARG 674 14.546 1.301 0.160 623 HE ARG 674 HE ARG 674 15.524 3.449 1.346 624 HH12 ARG 674 1HH ARG 674 16.721 0.179 3.440 625 HH21 ARG 674 2HH ARG 674 17.960 2.228 3.588 626 H ASP 675 H ASP 675 12.914 6.593 1.868 627 HA ASP 675 HA ASP 675 13.806 8.252 0.716 628 HB2 ASP 675 2HB ASP 675 14.488 6.513 -1.142 629 HB3 ASP 675 1HB ASP 675 13.006 6.995 -1.891 630 H GLY 676 H GLY 676 11.555 8.759 1.765 631 HA2 GLY 676 2HA GLY 676 10.015 10.206 -0.212 632 HA3 GLY 676 1HA GLY 676 9.673 10.097 1.512 633 H THR 677 H THR 677 9.371 12.482 0.884 634 HA THR 677 HA THR 677 11.749 14.033 0.639 635 HB THR 677 HB THR 677 8.927 14.880 1.334 636 HG1 THR 677 1HG THR 677 10.163 14.076 -1.034 637 HG21 THR 677 2HG THR 677 10.596 16.620 1.783 638 HA PRO 678 HA PRO 678 12.550 13.755 5.095 639 HB2 PRO 678 2HB PRO 678 14.620 15.772 4.578 640 HB3 PRO 678 1HB PRO 678 14.788 14.123 5.182 641 HG2 PRO 678 2HG PRO 678 15.575 14.805 2.709 642 HG3 PRO 678 1HG PRO 678 14.876 13.214 3.061 643 HD2 PRO 678 2HD PRO 678 13.597 15.620 1.828 644 HD3 PRO 678 1HD PRO 678 13.486 13.894 1.372 645 H TYR 679 H TYR 679 12.413 14.954 6.923 646 HA TYR 679 HA TYR 679 11.655 17.724 6.716 647 HB2 TYR 679 2HB TYR 679 10.070 17.072 8.787 648 HB3 TYR 679 1HB TYR 679 9.528 17.049 7.111 649 HD1 TYR 679 1HD TYR 679 10.719 14.780 9.912 650 HD2 TYR 679 2HD TYR 679 8.960 15.196 6.098 651 HE1 TYR 679 1HE TYR 679 10.117 12.395 9.936 652 HE2 TYR 679 2HE TYR 679 8.323 12.876 6.090 653 HH TYR 679 HH TYR 679 8.321 10.869 8.713 654 H ASN 680 H ASN 680 11.643 18.712 8.988 655 HA ASN 680 HA ASN 680 14.286 18.435 9.942 656 HB2 ASN 680 2HB ASN 680 11.973 20.073 10.982 657 HB3 ASN 680 1HB ASN 680 13.593 20.138 11.668 658 HD21 ASN 680 2HD ASN 680 12.971 22.755 8.997 659 H ASN 681 H ASN 681 14.756 16.588 10.816 660 HA ASN 681 HA ASN 681 13.687 16.033 13.459 661 HB2 ASN 681 2HB ASN 681 12.427 14.531 11.861 662 HB3 ASN 681 1HB ASN 681 13.966 13.867 11.338 663 HD21 ASN 681 2HD ASN 681 13.323 11.381 13.711 664 H GLU 682 H GLU 682 15.184 14.703 14.684 665 HA GLU 682 HA GLU 682 17.741 15.777 14.545 666 HB2 GLU 682 2HB GLU 682 16.847 13.344 16.061 667 HB3 GLU 682 1HB GLU 682 18.308 14.269 16.372 668 HG2 GLU 682 2HG GLU 682 16.917 16.227 16.902 669 HG3 GLU 682 1HG GLU 682 15.480 15.249 16.635 670 H LYS 683 H LYS 683 16.656 12.584 13.493 671 HA LYS 683 HA LYS 683 19.389 11.797 12.832 672 HB2 LYS 683 2HB LYS 683 18.468 9.662 12.191 673 HB3 LYS 683 1HB LYS 683 17.767 10.148 13.731 674 HG2 LYS 683 2HG LYS 683 15.727 10.850 12.598 675 HG3 LYS 683 1HG LYS 683 16.443 10.440 11.045 676 HD2 LYS 683 2HD LYS 683 14.969 8.661 11.704 677 HD3 LYS 683 1HD LYS 683 16.627 8.086 11.803 678 HE2 LYS 683 2HE LYS 683 16.614 8.419 14.224 679 HE3 LYS 683 1HE LYS 683 14.972 9.057 14.133 680 HZ1 LYS 683 3HZ LYS 683 14.259 6.910 13.252 681 HZ2 LYS 683 1HZ LYS 683 14.928 6.754 14.793 682 HZ3 LYS 683 2HZ LYS 683 15.815 6.305 13.435 683 H ARG 684 H ARG 684 17.362 13.838 11.335 684 HA ARG 684 HA ARG 684 16.473 14.162 9.297 685 HB2 ARG 684 2HB ARG 684 18.142 14.811 7.565 686 HB3 ARG 684 1HB ARG 684 18.472 15.508 9.137 687 HG2 ARG 684 2HG ARG 684 19.691 13.000 8.358 688 HG3 ARG 684 1HG ARG 684 20.410 14.480 7.659 689 HD2 ARG 684 2HD ARG 684 20.109 13.683 10.579 690 HD3 ARG 684 1HD ARG 684 21.627 13.789 9.683 691 HE ARG 684 HE ARG 684 20.312 16.257 9.579 692 HH12 ARG 684 1HH ARG 684 22.568 15.535 12.876 693 HH21 ARG 684 2HH ARG 684 21.949 17.802 12.244 694 H THR 685 H THR 685 15.326 12.451 9.092 695 HA THR 685 HA THR 685 16.314 10.338 7.331 696 HB THR 685 HB THR 685 15.468 9.464 9.439 697 HG1 THR 685 1HG THR 685 13.588 8.907 7.360 698 HG21 THR 685 2HG THR 685 13.936 11.263 10.067 699 HA PRO 686 HA PRO 686 13.462 11.829 4.215 700 HB2 PRO 686 2HB PRO 686 13.542 9.120 3.064 701 HB3 PRO 686 1HB PRO 686 14.078 10.640 2.359 702 HG2 PRO 686 2HG PRO 686 15.829 8.729 3.153 703 HG3 PRO 686 1HG PRO 686 16.205 10.457 3.205 704 HD2 PRO 686 2HD PRO 686 15.390 8.628 5.427 705 HD3 PRO 686 1HD PRO 686 16.585 9.950 5.410 706 H ARG 687 H ARG 687 11.267 11.475 3.786 707 HA ARG 687 HA ARG 687 9.746 10.479 5.896 708 HB2 ARG 687 2HB ARG 687 9.234 12.287 4.233 709 HB3 ARG 687 1HB ARG 687 8.855 11.039 3.076 710 HG2 ARG 687 2HG ARG 687 7.036 10.299 4.337 711 HG3 ARG 687 1HG ARG 687 7.439 11.306 5.719 712 HD2 ARG 687 2HD ARG 687 6.439 12.150 2.996 713 HD3 ARG 687 1HD ARG 687 5.727 12.523 4.572 714 HE ARG 687 HE ARG 687 8.268 13.633 3.576 715 HH12 ARG 687 1HH ARG 687 5.689 15.779 5.794 716 HH21 ARG 687 2HH ARG 687 7.486 16.804 4.809 717 H ALA 688 H ALA 688 8.650 8.515 6.195 718 HA ALA 688 HA ALA 688 8.976 6.521 4.098 719 HB1 ALA 688 1HB ALA 688 10.710 6.171 5.791 720 HB2 ALA 688 2HB ALA 688 9.527 4.863 5.808 721 HB3 ALA 688 3HB ALA 688 9.474 6.117 7.048 722 H THR 689 H THR 689 7.375 5.020 4.006 723 HA THR 689 HA THR 689 4.921 5.580 5.575 724 HB THR 689 HB THR 689 5.071 4.475 2.768 725 HG1 THR 689 1HG THR 689 5.848 6.658 3.030 726 HG21 THR 689 2HG THR 689 2.710 5.075 2.695 727 H LEU 690 H LEU 690 4.183 3.748 6.704 728 HA LEU 690 HA LEU 690 5.028 1.272 5.584 729 HB2 LEU 690 2HB LEU 690 6.466 1.817 7.485 730 HB3 LEU 690 1HB LEU 690 5.066 2.039 8.506 731 HG LEU 690 HG LEU 690 5.630 -0.569 7.192 732 HD13 LEU 690 1HD LEU 690 7.631 0.047 8.479 733 HD21 LEU 690 2HD LEU 690 4.369 -1.465 9.109 734 H ILE 691 H ILE 691 3.340 0.173 5.059 735 HA ILE 691 HA ILE 691 0.708 0.753 6.215 736 HB ILE 691 HB ILE 691 1.459 -0.998 3.844 737 HG12 ILE 691 1HG ILE 691 0.206 0.556 2.457 738 HG23 ILE 691 2HG ILE 691 -0.918 -1.198 3.376 739 HD11 ILE 691 1HD ILE 691 2.612 0.911 2.486 740 H THR 692 H THR 692 -0.285 -0.719 7.548 741 HA THR 692 HA THR 692 1.021 -3.329 7.780 742 HB THR 692 HB THR 692 -0.630 -1.849 9.865 743 HG1 THR 692 1HG THR 692 1.645 -1.227 9.137 744 HG21 THR 692 2HG THR 692 1.053 -4.369 10.067 745 H PHE 693 H PHE 693 -0.126 -4.913 6.904 746 HA PHE 693 HA PHE 693 -2.875 -4.409 6.131 747 HB2 PHE 693 2HB PHE 693 -1.086 -6.767 5.526 748 HB3 PHE 693 1HB PHE 693 -2.655 -6.456 4.809 749 HD1 PHE 693 2HD PHE 693 -2.906 -4.461 3.325 750 HD2 PHE 693 1HD PHE 693 0.834 -5.872 4.655 751 HE1 PHE 693 2HE PHE 693 -1.767 -3.170 1.501 752 HE2 PHE 693 1HE PHE 693 1.973 -4.615 2.857 753 HZ PHE 693 HZ PHE 693 0.654 -3.283 1.282 754 H LEU 694 H LEU 694 -4.385 -4.962 7.458 755 HA LEU 694 HA LEU 694 -3.983 -7.300 9.187 756 HB2 LEU 694 2HB LEU 694 -5.735 -4.892 9.635 757 HB3 LEU 694 1HB LEU 694 -5.624 -6.281 10.697 758 HG LEU 694 HG LEU 694 -3.414 -4.348 10.084 759 HD13 LEU 694 1HD LEU 694 -5.156 -3.358 11.485 760 HD21 LEU 694 2HD LEU 694 -2.517 -6.545 10.528 761 H CYS 695 H CYS 695 -5.394 -8.849 9.011 762 HA CYS 695 HA CYS 695 -7.624 -8.410 7.179 763 HB2 CYS 695 2HB CYS 695 -6.065 -10.172 6.474 764 HB3 CYS 695 1HB CYS 695 -6.276 -10.985 8.017 765 H ASP 696 H ASP 696 -8.810 -7.401 8.809 766 HA ASP 696 HA ASP 696 -9.540 -9.062 11.087 767 HB2 ASP 696 2HB ASP 696 -8.976 -6.709 11.538 768 HB3 ASP 696 1HB ASP 696 -10.288 -6.191 10.488 769 H ARG 697 H ARG 697 -11.074 -10.380 10.846 770 HA ARG 697 HA ARG 697 -12.949 -11.413 10.315 771 HB2 ARG 697 2HB ARG 697 -13.933 -9.632 11.649 772 HB3 ARG 697 1HB ARG 697 -14.066 -8.612 10.237 773 HG2 ARG 697 2HG ARG 697 -16.227 -9.552 10.933 774 HG3 ARG 697 1HG ARG 697 -15.771 -10.059 9.310 775 HD2 ARG 697 2HD ARG 697 -15.211 -11.786 11.713 776 HD3 ARG 697 1HD ARG 697 -16.776 -11.808 10.914 777 HE ARG 697 HE ARG 697 -15.415 -12.302 8.842 778 HH12 ARG 697 1HH ARG 697 -13.706 -14.874 11.488 779 HH21 ARG 697 2HH ARG 697 -13.782 -15.408 9.205 780 H ASP 698 H ASP 698 -13.696 -8.674 8.128 781 HA ASP 698 HA ASP 698 -13.250 -10.407 5.858 782 HB2 ASP 698 2HB ASP 698 -15.999 -9.362 6.550 783 HB3 ASP 698 1HB ASP 698 -15.559 -9.819 4.912 784 H ALA 699 H ALA 699 -12.712 -9.389 4.037 785 HA ALA 699 HA ALA 699 -13.246 -6.621 3.592 786 HB1 ALA 699 1HB ALA 699 -10.407 -7.457 4.227 787 HB2 ALA 699 2HB ALA 699 -11.416 -6.406 5.218 788 HB3 ALA 699 3HB ALA 699 -10.898 -5.876 3.618 789 H GLY 700 H GLY 700 -11.705 -5.961 1.628 790 HA2 GLY 700 2HA GLY 700 -11.636 -8.282 -0.193 791 HA3 GLY 700 1HA GLY 700 -11.970 -6.629 -0.715 792 H VAL 701 H VAL 701 -10.272 -5.796 -1.814 793 HA VAL 701 HA VAL 701 -7.634 -6.712 -1.422 794 HB VAL 701 HB VAL 701 -6.977 -4.808 -2.796 795 HG13 VAL 701 1HG VAL 701 -9.275 -6.419 -3.889 796 HG21 VAL 701 2HG VAL 701 -8.676 -3.384 -3.895 797 H GLY 702 H GLY 702 -9.549 -4.240 -0.162 798 HA2 GLY 702 2HA GLY 702 -9.114 -3.482 2.062 799 HA3 GLY 702 1HA GLY 702 -7.405 -3.632 1.714 800 H PHE 703 H PHE 703 -9.056 -1.424 2.676 801 HA PHE 703 HA PHE 703 -8.187 0.525 0.698 802 HB2 PHE 703 2HB PHE 703 -10.653 0.535 1.088 803 HB3 PHE 703 1HB PHE 703 -10.365 0.773 2.805 804 HD1 PHE 703 2HD PHE 703 -9.963 2.310 -0.524 805 HD2 PHE 703 1HD PHE 703 -9.974 2.930 3.682 806 HE1 PHE 703 2HE PHE 703 -9.921 4.732 -0.884 807 HE2 PHE 703 1HE PHE 703 -9.926 5.361 3.325 808 HZ PHE 703 HZ PHE 703 -9.892 6.259 1.024 809 HA PRO 704 HA PRO 704 -5.398 1.396 4.062 810 HB2 PRO 704 2HB PRO 704 -4.090 3.480 2.922 811 HB3 PRO 704 1HB PRO 704 -3.767 1.801 2.488 812 HG2 PRO 704 2HG PRO 704 -5.317 3.868 1.019 813 HG3 PRO 704 1HG PRO 704 -4.328 2.545 0.389 814 HD2 PRO 704 2HD PRO 704 -7.099 2.544 0.548 815 HD3 PRO 704 1HD PRO 704 -6.080 1.100 0.394 816 H GLU 705 H GLU 705 -5.678 2.612 5.787 817 HA GLU 705 HA GLU 705 -7.013 5.188 5.491 818 HB2 GLU 705 2HB GLU 705 -7.294 3.143 7.652 819 HB3 GLU 705 1HB GLU 705 -7.979 4.773 7.750 820 HG2 GLU 705 2HG GLU 705 -9.250 4.168 5.629 821 HG3 GLU 705 1HG GLU 705 -8.709 2.522 5.898 822 H TYR 706 H TYR 706 -6.442 6.735 7.095 823 HA TYR 706 HA TYR 706 -3.619 6.515 7.642 824 HB2 TYR 706 2HB TYR 706 -4.441 8.518 6.524 825 HB3 TYR 706 1HB TYR 706 -5.498 8.861 7.886 826 HD1 TYR 706 1HD TYR 706 -1.882 8.114 7.328 827 HD2 TYR 706 2HD TYR 706 -4.770 10.535 9.295 828 HE1 TYR 706 1HE TYR 706 -0.084 9.440 8.347 829 HE2 TYR 706 2HE TYR 706 -2.957 11.865 10.304 830 HH TYR 706 HH TYR 706 0.230 11.571 9.271 831 H GLN 707 H GLN 707 -2.732 6.389 9.572 832 HA GLN 707 HA GLN 707 -4.292 5.689 11.844 833 HB2 GLN 707 2HB GLN 707 -1.356 6.146 11.405 834 HB3 GLN 707 1HB GLN 707 -2.026 5.699 12.968 835 HG2 GLN 707 2HG GLN 707 -2.643 4.055 10.568 836 HG3 GLN 707 1HG GLN 707 -1.091 3.869 11.368 837 HE21 GLN 707 2HE GLN 707 -2.289 2.204 14.133 838 H GLU 708 H GLU 708 -1.705 8.099 11.792 839 HA GLU 708 HA GLU 708 -3.007 10.432 12.474 840 HB2 GLU 708 2HB GLU 708 -2.784 10.542 14.950 841 HB3 GLU 708 1HB GLU 708 -3.934 9.311 14.452 842 HG2 GLU 708 2HG GLU 708 -2.180 7.603 14.782 843 HG3 GLU 708 1HG GLU 708 -1.100 8.863 15.364 844 H GLU 709 H GLU 709 -0.338 8.339 12.694 845 HA GLU 709 HA GLU 709 1.568 10.137 13.752 846 HB2 GLU 709 2HB GLU 709 1.860 7.519 12.311 847 HB3 GLU 709 1HB GLU 709 3.140 8.354 13.182 848 HG2 GLU 709 2HG GLU 709 1.962 8.096 15.254 849 HG3 GLU 709 1HG GLU 709 0.573 7.404 14.422 850 H ASP 710 H ASP 710 1.858 11.952 12.509 851 HA ASP 710 HA ASP 710 3.094 11.444 9.876 852 HB2 ASP 710 2HB ASP 710 2.523 13.677 9.102 853 HB3 ASP 710 1HB ASP 710 1.052 12.961 9.715 854 H ASN 711 H ASN 711 3.722 11.892 12.940 855 HA ASN 711 HA ASN 711 5.583 13.947 13.151 856 HB2 ASN 711 2HB ASN 711 6.397 12.836 15.168 857 HB3 ASN 711 1HB ASN 711 4.647 12.804 15.115 858 HD21 ASN 711 2HD ASN 711 6.218 9.484 16.102 859 H SER 712 H SER 712 5.934 10.669 12.017 860 HA SER 712 HA SER 712 8.205 11.337 10.522 861 HB2 SER 712 2HB SER 712 9.782 9.762 11.572 862 HB3 SER 712 1HB SER 712 9.426 11.202 12.530 863 HG SER 712 HG SER 712 9.111 9.658 14.034 864 H THR 713 H THR 713 7.262 8.279 12.067 865 HA THR 713 HA THR 713 7.254 7.073 9.444 866 HB THR 713 HB THR 713 6.458 5.783 12.066 867 HG1 THR 713 1HG THR 713 8.901 6.584 11.085 868 HG21 THR 713 2HG THR 713 7.429 4.684 9.426 869 H TYR 714 H TYR 714 5.538 7.237 8.189 870 HA TYR 714 HA TYR 714 2.944 7.782 9.316 871 HB2 TYR 714 2HB TYR 714 3.885 7.481 6.456 872 HB3 TYR 714 1HB TYR 714 2.224 7.824 6.915 873 HD1 TYR 714 1HD TYR 714 5.633 9.186 7.659 874 HD2 TYR 714 2HD TYR 714 1.578 10.038 6.691 875 HE1 TYR 714 1HE TYR 714 6.156 11.564 7.613 876 HE2 TYR 714 2HE TYR 714 2.084 12.423 6.650 877 HH TYR 714 HH TYR 714 3.773 13.973 7.587 878 H ASN 715 H ASN 715 2.131 6.033 10.272 879 HA ASN 715 HA ASN 715 2.310 3.444 8.971 880 HB2 ASN 715 2HB ASN 715 2.441 3.640 11.546 881 HB3 ASN 715 1HB ASN 715 0.787 4.156 11.499 882 HD21 ASN 715 2HD ASN 715 1.721 0.239 11.091 883 H PHE 716 H PHE 716 0.684 2.473 7.939 884 HA PHE 716 HA PHE 716 -1.853 3.882 7.875 885 HB2 PHE 716 2HB PHE 716 -0.328 2.772 5.577 886 HB3 PHE 716 1HB PHE 716 -2.076 2.939 5.449 887 HD1 PHE 716 1HD PHE 716 -3.098 5.141 5.492 888 HD2 PHE 716 2HD PHE 716 1.122 4.685 5.658 889 HE1 PHE 716 1HE PHE 716 -2.828 7.522 4.973 890 HE2 PHE 716 2HE PHE 716 1.397 7.080 5.133 891 HZ PHE 716 HZ PHE 716 -0.584 8.491 4.797 892 H ARG 717 H ARG 717 -3.657 2.896 7.907 893 HA ARG 717 HA ARG 717 -3.630 0.206 9.042 894 HB2 ARG 717 2HB ARG 717 -4.684 2.311 10.075 895 HB3 ARG 717 1HB ARG 717 -5.867 2.212 8.791 896 HG2 ARG 717 2HG ARG 717 -6.804 1.281 10.761 897 HG3 ARG 717 1HG ARG 717 -6.477 -0.049 9.645 898 HD2 ARG 717 2HD ARG 717 -4.496 -0.646 10.838 899 HD3 ARG 717 1HD ARG 717 -4.606 0.797 11.842 900 HE ARG 717 HE ARG 717 -6.903 -0.907 12.021 901 HH12 ARG 717 1HH ARG 717 -3.934 -1.072 14.789 902 HH21 ARG 717 2HH ARG 717 -6.079 -2.012 15.249 903 H TRP 718 H TRP 718 -3.926 -1.323 7.446 904 HA TRP 718 HA TRP 718 -5.810 -0.708 5.251 905 HB2 TRP 718 2HB TRP 718 -3.380 -0.653 4.611 906 HB3 TRP 718 1HB TRP 718 -3.252 -2.327 5.094 907 HD1 TRP 718 HD TRP 718 -5.604 -3.670 3.543 908 HE1 TRP 718 1HE TRP 718 -5.609 -3.731 0.948 909 HE3 TRP 718 3HE TRP 718 -2.436 0.237 2.587 910 HZ2 TRP 718 2HZ TRP 718 -4.427 -2.356 -1.182 911 HZ3 TRP 718 3HZ TRP 718 -1.930 0.791 0.251 912 HH2 TRP 718 HH TRP 718 -2.906 -0.473 -1.589 913 H TYR 719 H TYR 719 -7.519 -2.049 5.470 914 HA TYR 719 HA TYR 719 -7.104 -4.648 6.764 915 HB2 TYR 719 2HB TYR 719 -9.684 -3.198 6.146 916 HB3 TYR 719 1HB TYR 719 -9.558 -4.748 6.965 917 HD1 TYR 719 2HD TYR 719 -8.493 -4.854 9.216 918 HD2 TYR 719 1HD TYR 719 -9.373 -1.166 7.293 919 HE1 TYR 719 2HE TYR 719 -8.300 -3.690 11.368 920 HE2 TYR 719 1HE TYR 719 -9.178 0.004 9.427 921 HH TYR 719 HH TYR 719 -9.401 -0.549 11.784 922 H THR 720 H THR 720 -6.672 -6.216 5.417 923 HA THR 720 HA THR 720 -8.193 -6.352 2.940 924 HB THR 720 HB THR 720 -6.123 -5.388 2.236 925 HG1 THR 720 1HG THR 720 -6.225 -6.623 0.654 926 HG21 THR 720 2HG THR 720 -4.752 -7.690 3.606 927 H SER 721 H SER 721 -8.665 -8.329 2.182 928 HA SER 721 HA SER 721 -8.697 -10.477 4.039 929 HB2 SER 721 2HB SER 721 -10.496 -10.077 2.385 930 HB3 SER 721 1HB SER 721 -9.376 -10.418 1.074 931 HG SER 721 HG SER 721 -10.005 -12.416 1.331 932 H TYR 722 H TYR 722 -6.571 -9.410 1.526 933 HA TYR 722 HA TYR 722 -5.304 -11.845 0.934 934 HB2 TYR 722 2HB TYR 722 -4.375 -9.004 0.625 935 HB3 TYR 722 1HB TYR 722 -3.445 -10.385 0.065 936 HD1 TYR 722 1HD TYR 722 -6.616 -8.521 -0.414 937 HD2 TYR 722 2HD TYR 722 -3.992 -11.481 -1.969 938 HE1 TYR 722 1HE TYR 722 -7.849 -8.492 -2.540 939 HE2 TYR 722 2HE TYR 722 -5.212 -11.458 -4.096 940 HH TYR 722 HH TYR 722 -7.482 -10.858 -4.909 941 H ALA 723 H ALA 723 -5.092 -9.845 3.710 942 HA ALA 723 HA ALA 723 -2.513 -10.876 4.487 943 HB1 ALA 723 1HB ALA 723 -4.486 -9.212 6.088 944 HB2 ALA 723 2HB ALA 723 -3.130 -8.604 5.148 945 HB3 ALA 723 3HB ALA 723 -2.835 -9.610 6.558 946 H CYS 724 H CYS 724 -5.342 -12.358 4.245 947 HA CYS 724 HA CYS 724 -4.925 -14.048 6.611 948 HB2 CYS 724 2HB CYS 724 -7.353 -13.633 4.871 949 HB3 CYS 724 1HB CYS 724 -7.176 -15.100 5.814 950 HA PRO 725 HA PRO 725 -3.513 -17.058 3.594 951 HB2 PRO 725 2HB PRO 725 -2.303 -18.709 5.377 952 HB3 PRO 725 1HB PRO 725 -1.562 -17.214 4.816 953 HG2 PRO 725 2HG PRO 725 -2.683 -17.850 7.449 954 HG3 PRO 725 1HG PRO 725 -1.608 -16.529 6.992 955 HD2 PRO 725 2HD PRO 725 -4.473 -16.456 7.407 956 HD3 PRO 725 1HD PRO 725 -3.357 -15.122 7.049 Start of MODEL 2 1 H1 GLU 578 1HT GLU 578 7.726 7.554 19.689 2 H2 GLU 578 2HT GLU 578 7.803 6.696 18.214 3 H3 GLU 578 3HT GLU 578 9.220 7.162 18.988 4 HA GLU 578 HA GLU 578 8.830 5.703 20.756 5 HB2 GLU 578 2HB GLU 578 6.264 4.923 19.312 6 HB3 GLU 578 1HB GLU 578 6.915 4.131 20.726 7 HG2 GLU 578 2HG GLU 578 5.128 5.492 21.471 8 HG3 GLU 578 1HG GLU 578 6.615 6.293 21.959 9 H ALA 579 H ALA 579 9.854 3.773 20.578 10 HA ALA 579 HA ALA 579 10.551 2.959 17.882 11 HB1 ALA 579 1HB ALA 579 11.491 1.953 20.574 12 HB2 ALA 579 2HB ALA 579 12.348 3.093 19.531 13 HB3 ALA 579 3HB ALA 579 12.115 1.423 19.014 14 H GLU 580 H GLU 580 9.562 1.348 20.845 15 HA GLU 580 HA GLU 580 8.238 -0.288 21.400 16 HB2 GLU 580 2HB GLU 580 6.478 1.052 20.419 17 HB3 GLU 580 1HB GLU 580 6.778 0.346 18.840 18 HG2 GLU 580 2HG GLU 580 6.010 -1.802 19.601 19 HG3 GLU 580 1HG GLU 580 5.863 -1.201 21.252 20 H ALA 581 H ALA 581 8.976 -0.709 17.984 21 HA ALA 581 HA ALA 581 8.838 -3.555 18.189 22 HB1 ALA 581 1HB ALA 581 8.312 -2.403 16.091 23 HB2 ALA 581 2HB ALA 581 9.606 -3.583 15.878 24 HB3 ALA 581 3HB ALA 581 9.988 -1.863 15.973 25 H GLU 582 H GLU 582 10.220 -4.259 19.667 26 HA GLU 582 HA GLU 582 13.096 -3.794 19.289 27 HB2 GLU 582 2HB GLU 582 12.214 -3.557 21.576 28 HB3 GLU 582 1HB GLU 582 11.573 -5.192 21.509 29 HG2 GLU 582 2HG GLU 582 13.858 -6.062 21.325 30 HG3 GLU 582 1HG GLU 582 14.479 -4.418 21.409 31 H PHE 583 H PHE 583 10.907 -6.457 20.010 32 HA PHE 583 HA PHE 583 12.502 -8.261 18.382 33 HB2 PHE 583 2HB PHE 583 11.728 -9.022 20.630 34 HB3 PHE 583 1HB PHE 583 10.070 -8.729 20.142 35 HD1 PHE 583 2HD PHE 583 13.055 -10.784 19.383 36 HD2 PHE 583 1HD PHE 583 8.836 -10.410 19.093 37 HE1 PHE 583 2HE PHE 583 12.909 -13.109 18.591 38 HE2 PHE 583 1HE PHE 583 8.674 -12.738 18.305 39 HZ PHE 583 HZ PHE 583 10.716 -14.091 18.053 40 H LEU 584 H LEU 584 12.018 -7.919 16.298 41 HA LEU 584 HA LEU 584 9.230 -7.460 15.732 42 HB2 LEU 584 2HB LEU 584 9.943 -6.270 13.618 43 HB3 LEU 584 1HB LEU 584 10.238 -5.467 15.131 44 HG LEU 584 HG LEU 584 12.663 -6.217 14.916 45 HD13 LEU 584 1HD LEU 584 12.376 -7.987 13.271 46 HD21 LEU 584 2HD LEU 584 11.978 -3.941 14.507 47 H SER 585 H SER 585 11.963 -9.322 14.559 48 HA SER 585 HA SER 585 12.083 -11.177 13.235 49 HB2 SER 585 2HB SER 585 9.221 -11.556 14.159 50 HB3 SER 585 1HB SER 585 10.277 -12.816 13.515 51 HG SER 585 HG SER 585 10.082 -11.832 16.001 52 H ARG 586 H ARG 586 11.019 -8.668 12.079 53 HA ARG 586 HA ARG 586 9.010 -9.410 10.176 54 HB2 ARG 586 2HB ARG 586 9.012 -7.171 11.157 55 HB3 ARG 586 1HB ARG 586 10.595 -6.862 10.477 56 HG2 ARG 586 2HG ARG 586 9.709 -6.917 8.243 57 HG3 ARG 586 1HG ARG 586 8.117 -7.379 8.846 58 HD2 ARG 586 2HD ARG 586 8.189 -4.994 8.339 59 HD3 ARG 586 1HD ARG 586 7.963 -5.265 10.064 60 HE ARG 586 HE ARG 586 10.655 -4.750 9.040 61 HH12 ARG 586 1HH ARG 586 8.680 -2.322 11.627 62 HH21 ARG 586 2HH ARG 586 10.974 -1.895 11.060 63 H THR 587 H THR 587 9.488 -10.559 8.509 64 HA THR 587 HA THR 587 12.115 -10.429 7.262 65 HB THR 587 HB THR 587 9.794 -12.295 6.671 66 HG1 THR 587 1HG THR 587 10.590 -13.624 8.170 67 HG21 THR 587 2HG THR 587 11.512 -12.159 4.924 68 H GLU 588 H GLU 588 12.356 -9.581 5.211 69 HA GLU 588 HA GLU 588 9.922 -8.576 4.017 70 HB2 GLU 588 2HB GLU 588 11.359 -6.891 2.808 71 HB3 GLU 588 1HB GLU 588 11.216 -6.686 4.538 72 HG2 GLU 588 2HG GLU 588 13.467 -6.193 3.834 73 HG3 GLU 588 1HG GLU 588 13.471 -7.657 4.807 74 H GLY 589 H GLY 589 9.603 -8.547 1.843 75 HA2 GLY 589 2HA GLY 589 11.272 -10.243 0.180 76 HA3 GLY 589 1HA GLY 589 9.558 -10.621 0.319 77 H ASP 590 H ASP 590 9.984 -10.000 -2.159 78 HA ASP 590 HA ASP 590 8.850 -7.369 -2.354 79 HB2 ASP 590 2HB ASP 590 10.483 -6.544 -4.024 80 HB3 ASP 590 1HB ASP 590 11.167 -6.722 -2.418 81 H ASN 591 H ASN 591 8.804 -6.798 -4.827 82 HA ASN 591 HA ASN 591 7.691 -7.125 -6.754 83 HB2 ASN 591 2HB ASN 591 9.645 -8.720 -7.121 84 HB3 ASN 591 1HB ASN 591 8.620 -10.021 -6.542 85 HD21 ASN 591 2HD ASN 591 6.989 -10.473 -9.597 86 H CYS 592 H CYS 592 6.249 -7.147 -4.428 87 HA CYS 592 HA CYS 592 4.089 -7.297 -3.792 88 HB2 CYS 592 2HB CYS 592 3.647 -9.024 -6.231 89 HB3 CYS 592 1HB CYS 592 2.402 -8.320 -5.207 90 H THR 593 H THR 593 6.239 -9.441 -3.287 91 HA THR 593 HA THR 593 4.390 -11.275 -2.017 92 HB THR 593 HB THR 593 5.979 -13.174 -2.538 93 HG1 THR 593 1HG THR 593 7.324 -11.174 -3.813 94 HG21 THR 593 2HG THR 593 3.843 -12.992 -3.698 95 H VAL 594 H VAL 594 5.131 -12.157 -0.124 96 HA VAL 594 HA VAL 594 7.752 -11.307 0.749 97 HB VAL 594 HB VAL 594 6.313 -9.793 1.934 98 HG13 VAL 594 1HG VAL 594 4.201 -10.845 1.579 99 HG21 VAL 594 2HG VAL 594 6.643 -10.389 4.246 100 H PHE 595 H PHE 595 8.968 -12.854 1.604 101 HA PHE 595 HA PHE 595 7.681 -15.390 2.159 102 HB2 PHE 595 2HB PHE 595 9.486 -16.528 0.846 103 HB3 PHE 595 1HB PHE 595 8.347 -15.585 -0.110 104 HD1 PHE 595 1HD PHE 595 9.057 -13.425 -1.100 105 HD2 PHE 595 2HD PHE 595 11.819 -15.966 0.901 106 HE1 PHE 595 1HE PHE 595 10.919 -12.207 -2.139 107 HE2 PHE 595 2HE PHE 595 13.687 -14.746 -0.142 108 HZ PHE 595 HZ PHE 595 13.236 -12.865 -1.658 109 H ASP 596 H ASP 596 8.517 -16.520 3.717 110 HA ASP 596 HA ASP 596 10.883 -15.464 5.209 111 HB2 ASP 596 2HB ASP 596 8.568 -15.202 6.264 112 HB3 ASP 596 1HB ASP 596 8.485 -16.949 6.273 113 H SER 597 H SER 597 12.504 -16.843 4.868 114 HA SER 597 HA SER 597 12.277 -19.567 4.109 115 HB2 SER 597 2HB SER 597 14.641 -18.121 5.316 116 HB3 SER 597 1HB SER 597 14.694 -19.625 4.399 117 HG SER 597 HG SER 597 14.544 -17.046 3.562 118 H GLN 598 H GLN 598 12.171 -18.029 7.184 119 HA GLN 598 HA GLN 598 13.460 -20.076 8.747 120 HB2 GLN 598 2HB GLN 598 11.852 -17.658 9.537 121 HB3 GLN 598 1HB GLN 598 12.968 -18.558 10.560 122 HG2 GLN 598 2HG GLN 598 14.817 -17.669 9.565 123 HG3 GLN 598 1HG GLN 598 13.997 -17.439 8.021 124 HE21 GLN 598 2HE GLN 598 12.765 -14.286 8.653 125 H ALA 599 H ALA 599 10.239 -18.735 8.333 126 HA ALA 599 HA ALA 599 9.073 -20.940 9.866 127 HB1 ALA 599 1HB ALA 599 8.320 -18.671 10.377 128 HB2 ALA 599 2HB ALA 599 6.996 -19.649 9.738 129 HB3 ALA 599 3HB ALA 599 7.795 -18.469 8.703 130 H GLY 600 H GLY 600 9.636 -19.933 6.662 131 HA2 GLY 600 2HA GLY 600 9.264 -21.060 4.676 132 HA3 GLY 600 1HA GLY 600 8.527 -22.361 5.608 133 H PHE 601 H PHE 601 7.810 -18.958 5.053 134 HA PHE 601 HA PHE 601 5.088 -19.746 4.291 135 HB2 PHE 601 2HB PHE 601 5.184 -19.036 6.675 136 HB3 PHE 601 1HB PHE 601 5.864 -17.503 6.176 137 HD1 PHE 601 1HD PHE 601 2.853 -19.614 6.121 138 HD2 PHE 601 2HD PHE 601 4.463 -15.749 5.377 139 HE1 PHE 601 1HE PHE 601 0.577 -18.703 5.959 140 HE2 PHE 601 2HE PHE 601 2.189 -14.831 5.208 141 HZ PHE 601 HZ PHE 601 0.242 -16.312 5.502 142 H SER 602 H SER 602 4.239 -18.493 2.645 143 HA SER 602 HA SER 602 5.711 -16.139 1.823 144 HB2 SER 602 2HB SER 602 5.437 -16.908 -0.575 145 HB3 SER 602 1HB SER 602 6.604 -17.824 0.370 146 HG SER 602 HG SER 602 5.410 -19.499 0.290 147 H PHE 603 H PHE 603 4.429 -14.499 1.239 148 HA PHE 603 HA PHE 603 1.575 -15.097 0.910 149 HB2 PHE 603 2HB PHE 603 2.585 -13.967 3.145 150 HB3 PHE 603 1HB PHE 603 2.462 -12.567 2.123 151 HD1 PHE 603 1HD PHE 603 0.519 -15.227 3.668 152 HD2 PHE 603 2HD PHE 603 0.395 -11.578 1.510 153 HE1 PHE 603 1HE PHE 603 -1.874 -15.050 4.138 154 HE2 PHE 603 2HE PHE 603 -2.019 -11.405 1.981 155 HZ PHE 603 HZ PHE 603 -3.141 -13.137 3.290 156 H ASP 604 H ASP 604 0.553 -13.815 -0.659 157 HA ASP 604 HA ASP 604 2.281 -11.904 -2.060 158 HB2 ASP 604 2HB ASP 604 1.548 -12.630 -4.219 159 HB3 ASP 604 1HB ASP 604 2.039 -14.076 -3.356 160 H LEU 605 H LEU 605 1.281 -10.113 -2.862 161 HA LEU 605 HA LEU 605 -1.613 -9.825 -2.418 162 HB2 LEU 605 2HB LEU 605 0.468 -7.787 -1.581 163 HB3 LEU 605 1HB LEU 605 -1.275 -7.558 -1.605 164 HG LEU 605 HG LEU 605 0.136 -9.555 0.169 165 HD13 LEU 605 1HD LEU 605 0.701 -7.273 0.788 166 HD21 LEU 605 2HD LEU 605 -2.731 -8.606 0.022 167 H THR 606 H THR 606 0.176 -10.278 -4.721 168 HA THR 606 HA THR 606 0.765 -8.193 -6.292 169 HB THR 606 HB THR 606 -0.459 -10.777 -7.240 170 HG1 THR 606 1HG THR 606 1.410 -11.726 -6.712 171 HG21 THR 606 2HG THR 606 0.111 -9.105 -8.946 172 HA PRO 607 HA PRO 607 -3.811 -8.129 -8.183 173 HB2 PRO 607 2HB PRO 607 -5.782 -8.793 -6.392 174 HB3 PRO 607 1HB PRO 607 -5.134 -9.897 -7.610 175 HG2 PRO 607 2HG PRO 607 -4.419 -9.643 -4.715 176 HG3 PRO 607 1HG PRO 607 -4.699 -11.109 -5.671 177 HD2 PRO 607 2HD PRO 607 -2.223 -10.303 -5.118 178 HD3 PRO 607 1HD PRO 607 -2.623 -10.969 -6.718 179 H LEU 608 H LEU 608 -2.738 -7.038 -5.014 180 HA LEU 608 HA LEU 608 -4.834 -5.117 -4.702 181 HB2 LEU 608 2HB LEU 608 -2.143 -5.210 -3.360 182 HB3 LEU 608 1HB LEU 608 -3.522 -4.253 -2.901 183 HG LEU 608 HG LEU 608 -3.134 -7.212 -2.607 184 HD13 LEU 608 1HD LEU 608 -2.071 -5.814 -0.919 185 HD21 LEU 608 2HD LEU 608 -5.288 -7.318 -1.596 186 H THR 609 H THR 609 -2.274 -5.324 -6.756 187 HA THR 609 HA THR 609 -1.258 -2.657 -6.630 188 HB THR 609 HB THR 609 -1.042 -4.693 -8.859 189 HG1 THR 609 1HG THR 609 -0.120 -5.683 -7.146 190 HG21 THR 609 2HG THR 609 0.709 -2.341 -8.114 191 H LYS 610 H LYS 610 -2.069 -0.842 -7.650 192 HA LYS 610 HA LYS 610 -3.923 -1.244 -9.889 193 HB2 LYS 610 2HB LYS 610 -4.061 0.915 -7.783 194 HB3 LYS 610 1HB LYS 610 -5.005 0.889 -9.233 195 HG2 LYS 610 2HG LYS 610 -5.980 -1.322 -8.401 196 HG3 LYS 610 1HG LYS 610 -5.163 -0.941 -6.893 197 HD2 LYS 610 2HD LYS 610 -6.356 1.100 -6.625 198 HD3 LYS 610 1HD LYS 610 -7.097 0.944 -8.215 199 HE2 LYS 610 2HE LYS 610 -7.518 -0.904 -5.872 200 HE3 LYS 610 1HE LYS 610 -8.640 0.343 -6.418 201 HZ1 LYS 610 3HZ LYS 610 -8.803 -0.867 -8.545 202 HZ2 LYS 610 1HZ LYS 610 -9.339 -1.755 -7.237 203 HZ3 LYS 610 2HZ LYS 610 -7.836 -2.103 -7.915 204 H LYS 611 H LYS 611 -3.577 0.100 -11.619 205 HA LYS 611 HA LYS 611 -1.096 1.532 -11.678 206 HB2 LYS 611 2HB LYS 611 -1.743 2.221 -13.950 207 HB3 LYS 611 1HB LYS 611 -1.908 0.485 -13.728 208 HG2 LYS 611 2HG LYS 611 -4.279 0.696 -13.498 209 HG3 LYS 611 1HG LYS 611 -4.166 2.454 -13.554 210 HD2 LYS 611 2HD LYS 611 -3.322 2.319 -15.833 211 HD3 LYS 611 1HD LYS 611 -3.396 0.556 -15.758 212 HE2 LYS 611 2HE LYS 611 -5.354 1.428 -16.898 213 HE3 LYS 611 1HE LYS 611 -5.738 0.653 -15.351 214 HZ1 LYS 611 3HZ LYS 611 -5.541 3.611 -15.701 215 HZ2 LYS 611 1HZ LYS 611 -6.050 2.788 -14.324 216 HZ3 LYS 611 2HZ LYS 611 -6.978 2.741 -15.720 217 H ASP 612 H ASP 612 -4.350 2.191 -10.948 218 HA ASP 612 HA ASP 612 -4.167 5.084 -11.286 219 HB2 ASP 612 2HB ASP 612 -6.413 3.335 -10.262 220 HB3 ASP 612 1HB ASP 612 -6.525 5.076 -10.493 221 H ALA 613 H ALA 613 -3.623 2.770 -8.949 222 HA ALA 613 HA ALA 613 -2.977 2.736 -6.821 223 HB1 ALA 613 1HB ALA 613 -1.471 4.566 -7.490 224 HB2 ALA 613 2HB ALA 613 -1.962 4.682 -5.798 225 HB3 ALA 613 3HB ALA 613 -2.697 5.735 -7.008 226 H TYR 614 H TYR 614 -3.368 3.764 -4.619 227 HA TYR 614 HA TYR 614 -6.276 3.902 -4.190 228 HB2 TYR 614 2HB TYR 614 -4.022 3.040 -2.394 229 HB3 TYR 614 1HB TYR 614 -5.690 3.173 -1.859 230 HD1 TYR 614 2HD TYR 614 -3.454 1.461 -4.251 231 HD2 TYR 614 1HD TYR 614 -7.203 1.400 -2.249 232 HE1 TYR 614 2HE TYR 614 -3.851 -0.760 -5.095 233 HE2 TYR 614 1HE TYR 614 -7.611 -0.867 -3.090 234 HH TYR 614 HH TYR 614 -5.113 -2.655 -4.574 235 H LYS 615 H LYS 615 -7.123 5.357 -2.657 236 HA LYS 615 HA LYS 615 -5.283 7.468 -1.961 237 HB2 LYS 615 2HB LYS 615 -7.112 9.127 -2.365 238 HB3 LYS 615 1HB LYS 615 -6.424 8.377 -3.781 239 HG2 LYS 615 2HG LYS 615 -8.712 8.507 -4.185 240 HG3 LYS 615 1HG LYS 615 -8.423 6.818 -3.773 241 HD2 LYS 615 2HD LYS 615 -10.475 7.578 -2.749 242 HD3 LYS 615 1HD LYS 615 -9.272 7.280 -1.494 243 HE2 LYS 615 2HE LYS 615 -8.810 9.669 -1.367 244 HE3 LYS 615 1HE LYS 615 -9.950 9.976 -2.661 245 HZ1 LYS 615 3HZ LYS 615 -11.734 9.072 -1.234 246 HZ2 LYS 615 1HZ LYS 615 -11.039 10.398 -0.505 247 HZ3 LYS 615 2HZ LYS 615 -10.650 8.852 0.024 248 H VAL 616 H VAL 616 -5.242 8.114 0.013 249 HA VAL 616 HA VAL 616 -7.446 7.406 1.832 250 HB VAL 616 HB VAL 616 -4.593 8.147 2.562 251 HG13 VAL 616 1HG VAL 616 -6.810 6.974 4.212 252 HG21 VAL 616 2HG VAL 616 -5.793 5.382 2.427 253 H GLU 617 H GLU 617 -8.417 9.213 2.856 254 HA GLU 617 HA GLU 617 -7.299 11.760 2.081 255 HB2 GLU 617 2HB GLU 617 -8.893 11.237 0.483 256 HB3 GLU 617 1HB GLU 617 -9.983 10.556 1.664 257 HG2 GLU 617 2HG GLU 617 -10.491 12.640 2.493 258 HG3 GLU 617 1HG GLU 617 -9.280 13.441 1.466 259 H THR 618 H THR 618 -7.289 13.249 3.694 260 HA THR 618 HA THR 618 -9.099 12.936 5.934 261 HB THR 618 HB THR 618 -7.275 13.453 7.550 262 HG1 THR 618 1HG THR 618 -5.654 13.246 5.250 263 HG21 THR 618 2HG THR 618 -6.685 10.959 5.941 264 H ASP 619 H ASP 619 -8.532 15.050 7.361 265 HA ASP 619 HA ASP 619 -9.044 17.259 5.638 266 HB2 ASP 619 2HB ASP 619 -8.562 17.155 8.614 267 HB3 ASP 619 1HB ASP 619 -8.932 18.635 7.742 268 H LYS 620 H LYS 620 -6.251 16.017 7.250 269 HA LYS 620 HA LYS 620 -4.783 18.440 6.747 270 HB2 LYS 620 2HB LYS 620 -3.838 15.794 7.846 271 HB3 LYS 620 1HB LYS 620 -2.831 17.223 7.690 272 HG2 LYS 620 2HG LYS 620 -4.408 18.413 9.211 273 HG3 LYS 620 1HG LYS 620 -5.250 16.886 9.451 274 HD2 LYS 620 2HD LYS 620 -2.326 17.362 10.059 275 HD3 LYS 620 1HD LYS 620 -3.610 17.410 11.257 276 HE2 LYS 620 2HE LYS 620 -4.108 15.037 10.781 277 HE3 LYS 620 1HE LYS 620 -2.813 15.016 9.585 278 HZ1 LYS 620 3HZ LYS 620 -2.084 14.103 11.733 279 HZ2 LYS 620 1HZ LYS 620 -2.457 15.560 12.485 280 HZ3 LYS 620 2HZ LYS 620 -1.228 15.507 11.336 281 H TYR 621 H TYR 621 -4.548 15.054 5.592 282 HA TYR 621 HA TYR 621 -3.183 16.124 3.200 283 HB2 TYR 621 2HB TYR 621 -2.303 13.602 4.596 284 HB3 TYR 621 1HB TYR 621 -1.511 14.451 3.289 285 HD1 TYR 621 2HD TYR 621 -0.396 16.687 3.833 286 HD2 TYR 621 1HD TYR 621 -1.799 14.013 6.815 287 HE1 TYR 621 2HE TYR 621 1.079 17.783 5.517 288 HE2 TYR 621 1HE TYR 621 -0.370 15.079 8.479 289 HH TYR 621 HH TYR 621 1.168 18.056 7.935 290 H GLU 622 H GLU 622 -3.375 14.715 1.406 291 HA GLU 622 HA GLU 622 -5.021 12.364 1.876 292 HB2 GLU 622 2HB GLU 622 -5.793 12.465 -0.480 293 HB3 GLU 622 1HB GLU 622 -6.310 13.858 0.448 294 HG2 GLU 622 2HG GLU 622 -4.630 15.220 -0.607 295 HG3 GLU 622 1HG GLU 622 -3.982 13.810 -1.455 296 H PHE 623 H PHE 623 -4.214 10.517 1.261 297 HA PHE 623 HA PHE 623 -1.401 10.615 0.384 298 HB2 PHE 623 2HB PHE 623 -2.783 8.437 1.964 299 HB3 PHE 623 1HB PHE 623 -1.080 8.564 1.600 300 HD1 PHE 623 2HD PHE 623 -3.818 9.949 3.633 301 HD2 PHE 623 1HD PHE 623 0.368 9.934 2.905 302 HE1 PHE 623 2HE PHE 623 -3.452 11.110 5.772 303 HE2 PHE 623 1HE PHE 623 0.746 11.090 5.049 304 HZ PHE 623 HZ PHE 623 -1.166 11.674 6.483 305 H HIS 624 H HIS 624 -0.939 9.600 -1.465 306 HA HIS 624 HA HIS 624 -2.947 7.712 -2.432 307 HB2 HIS 624 2HB HIS 624 -1.003 9.402 -4.042 308 HB3 HIS 624 1HB HIS 624 -2.043 8.158 -4.731 309 HD1 HIS 624 1HD HIS 624 -4.451 8.795 -5.237 310 HD2 HIS 624 2HD HIS 624 -2.449 11.726 -3.069 311 HE1 HIS 624 1HE HIS 624 -6.029 10.746 -5.100 312 HE2 HIS 624 2HE HIS 624 -4.865 12.454 -3.711 313 H ILE 625 H ILE 625 -2.399 5.701 -2.448 314 HA ILE 625 HA ILE 625 0.453 4.983 -2.085 315 HB ILE 625 HB ILE 625 -1.892 3.707 -0.629 316 HG12 ILE 625 1HG ILE 625 0.075 5.755 0.434 317 HG23 ILE 625 2HG ILE 625 -0.155 2.710 0.793 318 HD11 ILE 625 1HD ILE 625 -1.216 5.698 2.481 319 H ASN 626 H ASN 626 0.896 2.757 -2.741 320 HA ASN 626 HA ASN 626 -1.155 1.315 -4.146 321 HB2 ASN 626 2HB ASN 626 0.144 2.895 -5.774 322 HB3 ASN 626 1HB ASN 626 1.523 1.830 -5.459 323 HD21 ASN 626 2HD ASN 626 0.282 0.535 -8.470 324 H VAL 627 H VAL 627 -0.413 -0.957 -4.347 325 HA VAL 627 HA VAL 627 1.239 -1.542 -2.037 326 HB VAL 627 HB VAL 627 -0.296 -3.438 -3.838 327 HG13 VAL 627 1HG VAL 627 0.047 -5.125 -2.082 328 HG21 VAL 627 2HG VAL 627 -1.817 -3.527 -1.890 329 H CYS 628 H CYS 628 1.619 -1.519 -5.349 330 HA CYS 628 HA CYS 628 4.359 -2.437 -5.103 331 HB2 CYS 628 2HB CYS 628 2.408 -3.639 -7.071 332 HB3 CYS 628 1HB CYS 628 4.143 -3.877 -7.111 333 H GLY 629 H GLY 629 5.660 -1.420 -6.481 334 HA2 GLY 629 2HA GLY 629 6.361 -0.213 -8.302 335 HA3 GLY 629 1HA GLY 629 4.729 -0.316 -8.952 336 HA PRO 630 HA PRO 630 5.104 3.977 -7.459 337 HB2 PRO 630 2HB PRO 630 4.806 5.260 -9.760 338 HB3 PRO 630 1HB PRO 630 6.281 4.405 -9.469 339 HG2 PRO 630 2HG PRO 630 3.960 3.563 -11.134 340 HG3 PRO 630 1HG PRO 630 5.693 3.356 -11.438 341 HD2 PRO 630 2HD PRO 630 3.957 1.422 -10.364 342 HD3 PRO 630 1HD PRO 630 5.727 1.368 -10.337 343 H VAL 631 H VAL 631 3.546 5.727 -7.527 344 HA VAL 631 HA VAL 631 0.764 4.771 -7.864 345 HB VAL 631 HB VAL 631 0.083 6.698 -6.468 346 HG13 VAL 631 1HG VAL 631 2.141 4.910 -5.251 347 HG21 VAL 631 2HG VAL 631 1.890 8.251 -6.984 348 H SER 632 H SER 632 -0.711 6.060 -8.951 349 HA SER 632 HA SER 632 0.586 8.110 -10.623 350 HB2 SER 632 2HB SER 632 -2.149 6.852 -10.931 351 HB3 SER 632 1HB SER 632 -1.417 8.007 -12.050 352 HG SER 632 HG SER 632 -0.998 5.326 -11.748 353 H VAL 633 H VAL 633 0.375 10.166 -10.187 354 HA VAL 633 HA VAL 633 -1.981 11.340 -9.015 355 HB VAL 633 HB VAL 633 0.732 11.790 -7.731 356 HG13 VAL 633 1HG VAL 633 -0.755 13.660 -7.503 357 HG21 VAL 633 2HG VAL 633 0.075 9.521 -7.140 358 H GLY 634 H GLY 634 -1.882 13.682 -9.491 359 HA2 GLY 634 2HA GLY 634 0.010 14.240 -11.636 360 HA3 GLY 634 1HA GLY 634 -1.400 15.202 -11.243 361 H ALA 635 H ALA 635 -0.577 15.123 -8.355 362 HA ALA 635 HA ALA 635 1.273 17.387 -8.486 363 HB1 ALA 635 1HB ALA 635 0.571 17.861 -6.203 364 HB2 ALA 635 2HB ALA 635 -0.354 16.362 -6.160 365 HB3 ALA 635 3HB ALA 635 -0.827 17.661 -7.257 366 H CYS 636 H CYS 636 1.881 14.303 -8.467 367 HA CYS 636 HA CYS 636 4.163 14.534 -6.650 368 HB2 CYS 636 2HB CYS 636 2.311 12.137 -6.760 369 HB3 CYS 636 1HB CYS 636 3.799 12.247 -5.849 370 HA PRO 637 HA PRO 637 6.310 12.701 -10.095 371 HB2 PRO 637 2HB PRO 637 8.258 11.313 -8.762 372 HB3 PRO 637 1HB PRO 637 8.318 13.064 -8.983 373 HG2 PRO 637 2HG PRO 637 7.414 11.485 -6.608 374 HG3 PRO 637 1HG PRO 637 8.430 12.937 -6.665 375 HD2 PRO 637 2HD PRO 637 5.836 13.068 -6.030 376 HD3 PRO 637 1HD PRO 637 6.641 14.336 -6.982 377 HA PRO 638 HA PRO 638 4.077 8.835 -10.515 378 HB2 PRO 638 2HB PRO 638 6.338 8.303 -12.399 379 HB3 PRO 638 1HB PRO 638 4.601 8.074 -12.638 380 HG2 PRO 638 2HG PRO 638 5.810 10.170 -13.715 381 HG3 PRO 638 1HG PRO 638 4.209 10.343 -12.975 382 HD2 PRO 638 2HD PRO 638 6.874 11.197 -11.943 383 HD3 PRO 638 1HD PRO 638 5.279 11.955 -11.744 384 H ASP 639 H ASP 639 7.580 8.612 -10.608 385 HA ASP 639 HA ASP 639 7.967 5.983 -9.801 386 HB2 ASP 639 2HB ASP 639 9.691 7.352 -10.900 387 HB3 ASP 639 1HB ASP 639 9.869 8.315 -9.444 388 H SER 640 H SER 640 6.535 8.118 -7.781 389 HA SER 640 HA SER 640 7.828 7.040 -5.406 390 HB2 SER 640 2HB SER 640 6.301 8.545 -4.132 391 HB3 SER 640 1HB SER 640 7.279 9.437 -5.302 392 HG SER 640 HG SER 640 5.420 9.460 -6.675 393 H GLY 641 H GLY 641 6.640 5.612 -3.958 394 HA2 GLY 641 2HA GLY 641 4.282 4.482 -5.264 395 HA3 GLY 641 1HA GLY 641 5.253 3.600 -4.119 396 H ALA 642 H ALA 642 5.008 6.607 -2.936 397 HA ALA 642 HA ALA 642 2.318 6.581 -1.945 398 HB1 ALA 642 1HB ALA 642 2.984 6.614 0.438 399 HB2 ALA 642 2HB ALA 642 4.654 6.275 -0.039 400 HB3 ALA 642 3HB ALA 642 3.392 5.084 -0.338 401 H CYS 643 H CYS 643 1.700 8.648 -1.966 402 HA CYS 643 HA CYS 643 3.595 10.724 -1.183 403 HB2 CYS 643 2HB CYS 643 3.842 10.586 -3.627 404 HB3 CYS 643 1HB CYS 643 2.112 10.808 -3.816 405 H GLN 644 H GLN 644 2.717 12.404 -0.153 406 HA GLN 644 HA GLN 644 -0.193 12.337 0.166 407 HB2 GLN 644 2HB GLN 644 0.128 13.392 2.348 408 HB3 GLN 644 1HB GLN 644 0.980 11.859 2.262 409 HG2 GLN 644 2HG GLN 644 3.099 13.139 1.901 410 HG3 GLN 644 1HG GLN 644 2.138 14.605 2.017 411 HE21 GLN 644 2HE GLN 644 3.655 13.578 5.326 412 H VAL 645 H VAL 645 -1.333 14.049 -0.244 413 HA VAL 645 HA VAL 645 0.067 16.515 -0.993 414 HB VAL 645 HB VAL 645 -2.743 15.621 -1.739 415 HG13 VAL 645 1HG VAL 645 -1.121 17.978 -2.700 416 HG21 VAL 645 2HG VAL 645 -0.245 15.664 -3.438 417 H SER 646 H SER 646 -0.088 18.044 0.493 418 HA SER 646 HA SER 646 -1.880 17.738 2.717 419 HB2 SER 646 2HB SER 646 0.418 18.503 3.109 420 HB3 SER 646 1HB SER 646 0.142 19.899 2.076 421 HG SER 646 HG SER 646 -0.129 20.063 4.554 422 H ARG 647 H ARG 647 -3.558 18.909 3.160 423 HA ARG 647 HA ARG 647 -4.555 20.701 1.085 424 HB2 ARG 647 2HB ARG 647 -5.926 19.282 3.368 425 HB3 ARG 647 1HB ARG 647 -6.731 20.383 2.250 426 HG2 ARG 647 2HG ARG 647 -6.236 18.949 0.396 427 HG3 ARG 647 1HG ARG 647 -5.289 17.884 1.429 428 HD2 ARG 647 2HD ARG 647 -7.236 17.233 2.639 429 HD3 ARG 647 1HD ARG 647 -8.254 18.389 1.800 430 HE ARG 647 HE ARG 647 -6.941 16.700 -0.030 431 HH12 ARG 647 1HH ARG 647 -10.487 15.492 1.485 432 HH21 ARG 647 2HH ARG 647 -9.648 14.610 -0.542 433 H SER 648 H SER 648 -3.358 20.542 4.302 434 HA SER 648 HA SER 648 -4.347 23.123 5.052 435 HB2 SER 648 2HB SER 648 -2.263 21.356 6.354 436 HB3 SER 648 1HB SER 648 -3.082 22.735 7.093 437 HG SER 648 HG SER 648 -5.047 21.331 6.328 438 H ASP 649 H ASP 649 -1.276 21.710 3.929 439 HA ASP 649 HA ASP 649 0.061 24.346 4.071 440 HB2 ASP 649 2HB ASP 649 1.233 21.659 3.323 441 HB3 ASP 649 1HB ASP 649 2.121 23.142 3.616 442 H ARG 650 H ARG 650 -1.574 22.405 1.881 443 HA ARG 650 HA ARG 650 -1.765 22.234 -0.388 444 HB2 ARG 650 2HB ARG 650 -0.631 25.044 -0.285 445 HB3 ARG 650 1HB ARG 650 -1.363 24.316 -1.709 446 HG2 ARG 650 2HG ARG 650 -2.753 24.876 0.909 447 HG3 ARG 650 1HG ARG 650 -2.938 25.790 -0.589 448 HD2 ARG 650 2HD ARG 650 -3.796 23.754 -1.688 449 HD3 ARG 650 1HD ARG 650 -3.626 22.895 -0.164 450 HE ARG 650 HE ARG 650 -5.204 25.163 0.224 451 HH12 ARG 650 1HH ARG 650 -7.010 21.810 -1.154 452 HH21 ARG 650 2HH ARG 650 -8.282 23.511 -0.079 453 H LYS 651 H LYS 651 0.706 21.382 0.873 454 HA LYS 651 HA LYS 651 2.583 21.481 -1.403 455 HB2 LYS 651 2HB LYS 651 3.087 20.887 1.512 456 HB3 LYS 651 1HB LYS 651 4.302 20.813 0.250 457 HG2 LYS 651 2HG LYS 651 4.111 23.164 -0.133 458 HG3 LYS 651 1HG LYS 651 2.746 23.232 0.985 459 HD2 LYS 651 2HD LYS 651 4.235 22.529 2.825 460 HD3 LYS 651 1HD LYS 651 5.584 22.482 1.685 461 HE2 LYS 651 2HE LYS 651 5.365 24.893 1.303 462 HE3 LYS 651 1HE LYS 651 3.960 24.924 2.364 463 HZ1 LYS 651 3HZ LYS 651 5.947 25.711 3.476 464 HZ2 LYS 651 1HZ LYS 651 6.730 24.247 3.244 465 HZ3 LYS 651 2HZ LYS 651 5.372 24.335 4.226 466 H SER 652 H SER 652 3.779 19.487 -1.641 467 HA SER 652 HA SER 652 2.390 17.149 -0.637 468 HB2 SER 652 2HB SER 652 2.616 16.062 -2.948 469 HB3 SER 652 1HB SER 652 1.384 17.307 -2.790 470 HG SER 652 HG SER 652 2.944 17.281 -4.665 471 H TRP 653 H TRP 653 3.613 15.324 -0.318 472 HA TRP 653 HA TRP 653 6.548 15.506 -0.758 473 HB2 TRP 653 2HB TRP 653 5.262 14.700 1.846 474 HB3 TRP 653 1HB TRP 653 6.964 14.735 1.451 475 HD1 TRP 653 HD TRP 653 8.156 17.209 1.531 476 HE1 TRP 653 1HE TRP 653 7.483 19.333 2.820 477 HE3 TRP 653 3HE TRP 653 3.331 16.006 2.522 478 HZ2 TRP 653 2HZ TRP 653 5.114 20.367 4.101 479 HZ3 TRP 653 3HZ TRP 653 1.939 17.546 3.754 480 HH2 TRP 653 HH TRP 653 2.808 19.710 4.537 481 H ASN 654 H ASN 654 7.571 13.732 -0.798 482 HA ASN 654 HA ASN 654 6.076 11.446 -1.731 483 HB2 ASN 654 2HB ASN 654 8.018 12.581 -2.841 484 HB3 ASN 654 1HB ASN 654 9.009 12.033 -1.509 485 HD21 ASN 654 2HD ASN 654 9.167 10.012 -4.629 486 H LEU 655 H LEU 655 5.860 9.628 -0.461 487 HA LEU 655 HA LEU 655 7.029 9.673 2.216 488 HB2 LEU 655 2HB LEU 655 4.768 8.083 1.038 489 HB3 LEU 655 1HB LEU 655 5.397 7.826 2.647 490 HG LEU 655 HG LEU 655 4.730 10.239 3.131 491 HD13 LEU 655 1HD LEU 655 3.299 9.936 0.595 492 HD21 LEU 655 2HD LEU 655 3.421 8.344 3.937 493 H GLY 656 H GLY 656 7.757 8.432 -0.707 494 HA2 GLY 656 2HA GLY 656 9.941 7.186 -0.168 495 HA3 GLY 656 1HA GLY 656 8.832 5.928 0.329 496 H ARG 657 H ARG 657 10.766 6.211 -1.872 497 HA ARG 657 HA ARG 657 9.340 6.530 -4.274 498 HB2 ARG 657 2HB ARG 657 11.329 5.715 -5.397 499 HB3 ARG 657 1HB ARG 657 11.722 6.894 -4.154 500 HG2 ARG 657 2HG ARG 657 12.409 5.113 -2.668 501 HG3 ARG 657 1HG ARG 657 12.025 3.928 -3.928 502 HD2 ARG 657 2HD ARG 657 13.535 5.017 -5.419 503 HD3 ARG 657 1HD ARG 657 13.914 6.204 -4.177 504 HE ARG 657 HE ARG 657 14.437 3.372 -3.632 505 HH12 ARG 657 1HH ARG 657 17.265 6.260 -3.700 506 HH21 ARG 657 2HH ARG 657 17.812 4.083 -2.980 507 H SER 658 H SER 658 8.831 5.024 -5.845 508 HA SER 658 HA SER 658 7.171 3.037 -5.065 509 HB2 SER 658 2HB SER 658 7.289 2.261 -7.395 510 HB3 SER 658 1HB SER 658 6.999 3.974 -7.142 511 HG SER 658 HG SER 658 9.004 4.470 -7.812 512 H ASN 659 H ASN 659 7.174 0.868 -4.834 513 HA ASN 659 HA ASN 659 9.550 -0.667 -4.976 514 HB2 ASN 659 2HB ASN 659 9.949 0.764 -3.102 515 HB3 ASN 659 1HB ASN 659 8.338 0.476 -2.499 516 HD21 ASN 659 2HD ASN 659 9.744 -1.625 -0.358 517 H ALA 660 H ALA 660 8.920 -2.861 -4.307 518 HA ALA 660 HA ALA 660 6.034 -3.302 -3.933 519 HB1 ALA 660 1HB ALA 660 7.874 -4.924 -5.705 520 HB2 ALA 660 2HB ALA 660 6.639 -3.794 -6.266 521 HB3 ALA 660 3HB ALA 660 6.170 -5.258 -5.402 522 H LYS 661 H LYS 661 8.559 -3.242 -2.109 523 HA LYS 661 HA LYS 661 9.066 -5.877 -1.283 524 HB2 LYS 661 2HB LYS 661 10.583 -4.001 -1.249 525 HB3 LYS 661 1HB LYS 661 9.486 -3.196 -0.141 526 HG2 LYS 661 2HG LYS 661 9.835 -4.967 1.478 527 HG3 LYS 661 1HG LYS 661 11.006 -5.711 0.383 528 HD2 LYS 661 2HD LYS 661 11.130 -2.923 1.098 529 HD3 LYS 661 1HD LYS 661 11.813 -4.127 2.256 530 HE2 LYS 661 2HE LYS 661 13.682 -3.284 0.949 531 HE3 LYS 661 1HE LYS 661 13.261 -4.807 0.186 532 HZ1 LYS 661 3HZ LYS 661 12.462 -2.101 -0.785 533 HZ2 LYS 661 1HZ LYS 661 12.119 -3.554 -1.582 534 HZ3 LYS 661 2HZ LYS 661 13.691 -3.053 -1.408 535 H LEU 662 H LEU 662 7.518 -6.999 -0.331 536 HA LEU 662 HA LEU 662 5.759 -5.734 1.615 537 HB2 LEU 662 2HB LEU 662 5.854 -8.521 0.472 538 HB3 LEU 662 1HB LEU 662 4.759 -8.063 1.774 539 HG LEU 662 HG LEU 662 4.772 -7.169 -1.096 540 HD13 LEU 662 1HD LEU 662 3.891 -9.385 -0.712 541 HD21 LEU 662 2HD LEU 662 2.751 -5.900 -0.557 542 H SER 663 H SER 663 5.770 -6.389 3.750 543 HA SER 663 HA SER 663 8.064 -7.998 4.584 544 HB2 SER 663 2HB SER 663 6.957 -5.518 5.919 545 HB3 SER 663 1HB SER 663 8.319 -6.488 6.491 546 HG SER 663 HG SER 663 8.364 -5.570 3.895 547 H TYR 664 H TYR 664 7.671 -9.158 6.544 548 HA TYR 664 HA TYR 664 4.833 -9.356 7.301 549 HB2 TYR 664 2HB TYR 664 5.546 -11.186 5.748 550 HB3 TYR 664 1HB TYR 664 6.758 -11.659 6.925 551 HD1 TYR 664 2HD TYR 664 3.044 -11.026 6.777 552 HD2 TYR 664 1HD TYR 664 6.207 -13.465 8.242 553 HE1 TYR 664 2HE TYR 664 1.455 -12.449 7.603 554 HE2 TYR 664 1HE TYR 664 4.561 -15.008 9.166 555 HH TYR 664 HH TYR 664 2.228 -14.888 9.926 556 H TYR 665 H TYR 665 4.648 -8.999 9.400 557 HA TYR 665 HA TYR 665 7.064 -8.719 10.979 558 HB2 TYR 665 2HB TYR 665 5.216 -7.044 10.981 559 HB3 TYR 665 1HB TYR 665 4.182 -8.239 11.741 560 HD1 TYR 665 1HD TYR 665 7.149 -6.126 12.184 561 HD2 TYR 665 2HD TYR 665 4.309 -8.638 14.087 562 HE1 TYR 665 1HE TYR 665 7.927 -5.334 14.385 563 HE2 TYR 665 2HE TYR 665 5.062 -7.861 16.269 564 HH TYR 665 HH TYR 665 7.127 -6.899 17.234 565 H ASP 666 H ASP 666 4.004 -10.124 11.763 566 HA ASP 666 HA ASP 666 5.314 -12.560 12.766 567 HB2 ASP 666 2HB ASP 666 4.863 -11.211 14.765 568 HB3 ASP 666 1HB ASP 666 3.208 -10.944 14.266 569 H GLY 667 H GLY 667 2.280 -10.981 12.122 570 HA2 GLY 667 2HA GLY 667 1.614 -13.116 10.275 571 HA3 GLY 667 1HA GLY 667 0.450 -12.846 11.534 572 H MET 668 H MET 668 1.375 -9.880 11.296 573 HA MET 668 HA MET 668 -0.522 -9.218 9.244 574 HB2 MET 668 2HB MET 668 1.188 -7.452 11.007 575 HB3 MET 668 1HB MET 668 -0.078 -6.889 9.930 576 HG2 MET 668 2HG MET 668 -1.737 -8.105 11.258 577 HG3 MET 668 1HG MET 668 -0.469 -8.652 12.346 578 HE1 MET 668 3HE MET 668 0.690 -5.177 13.899 579 HE2 MET 668 1HE MET 668 1.359 -5.930 12.456 580 HE3 MET 668 2HE MET 668 0.991 -6.915 13.876 581 H ILE 669 H ILE 669 0.057 -8.854 7.230 582 HA ILE 669 HA ILE 669 2.828 -8.669 6.502 583 HB ILE 669 HB ILE 669 0.279 -8.510 4.946 584 HG12 ILE 669 1HG ILE 669 1.173 -10.420 3.676 585 HG23 ILE 669 2HG ILE 669 3.085 -8.313 3.792 586 HD11 ILE 669 1HD ILE 669 0.565 -10.934 6.571 587 H GLN 670 H GLN 670 3.846 -6.835 5.822 588 HA GLN 670 HA GLN 670 2.389 -4.324 6.213 589 HB2 GLN 670 2HB GLN 670 5.245 -4.906 6.977 590 HB3 GLN 670 1HB GLN 670 4.371 -3.400 7.239 591 HG2 GLN 670 2HG GLN 670 2.818 -4.573 8.728 592 HG3 GLN 670 1HG GLN 670 3.730 -6.059 8.477 593 HE21 GLN 670 2HE GLN 670 4.998 -3.260 11.041 594 H LEU 671 H LEU 671 3.000 -2.717 4.816 595 HA LEU 671 HA LEU 671 4.764 -3.448 2.532 596 HB2 LEU 671 2HB LEU 671 2.363 -2.929 1.939 597 HB3 LEU 671 1HB LEU 671 2.584 -1.374 2.714 598 HG LEU 671 HG LEU 671 4.159 -0.701 0.962 599 HD13 LEU 671 1HD LEU 671 3.482 -3.345 -0.294 600 HD21 LEU 671 2HD LEU 671 2.534 -0.524 -0.841 601 H THR 672 H THR 672 6.468 -1.987 2.146 602 HA THR 672 HA THR 672 6.560 0.272 3.998 603 HB THR 672 HB THR 672 8.804 -1.738 3.709 604 HG1 THR 672 1HG THR 672 6.612 -1.601 5.281 605 HG21 THR 672 2HG THR 672 8.509 0.681 5.514 606 H TYR 673 H TYR 673 6.856 1.991 2.849 607 HA TYR 673 HA TYR 673 8.596 1.885 0.498 608 HB2 TYR 673 2HB TYR 673 6.526 3.908 1.335 609 HB3 TYR 673 1HB TYR 673 7.694 4.224 0.054 610 HD1 TYR 673 1HD TYR 673 7.834 2.517 -1.802 611 HD2 TYR 673 2HD TYR 673 4.515 2.852 0.805 612 HE1 TYR 673 1HE TYR 673 6.470 1.381 -3.447 613 HE2 TYR 673 2HE TYR 673 3.110 1.709 -0.807 614 HH TYR 673 HH TYR 673 4.269 -0.068 -3.458 615 H ARG 674 H ARG 674 10.463 3.007 0.391 616 HA ARG 674 HA ARG 674 11.169 4.574 2.745 617 HB2 ARG 674 2HB ARG 674 12.871 2.496 1.367 618 HB3 ARG 674 1HB ARG 674 13.435 3.573 2.631 619 HG2 ARG 674 2HG ARG 674 11.870 2.536 4.204 620 HG3 ARG 674 1HG ARG 674 11.297 1.469 2.916 621 HD2 ARG 674 2HD ARG 674 13.551 0.556 2.681 622 HD3 ARG 674 1HD ARG 674 14.119 1.601 3.975 623 HE ARG 674 HE ARG 674 11.978 0.104 4.929 624 HH12 ARG 674 1HH ARG 674 15.596 -1.745 4.777 625 HH21 ARG 674 2HH ARG 674 13.909 -2.601 6.183 626 H ASP 675 H ASP 675 12.926 5.968 2.371 627 HA ASP 675 HA ASP 675 13.994 7.654 1.414 628 HB2 ASP 675 2HB ASP 675 15.071 5.733 0.031 629 HB3 ASP 675 1HB ASP 675 13.973 6.220 -1.242 630 H GLY 676 H GLY 676 11.808 8.471 1.814 631 HA2 GLY 676 2HA GLY 676 10.527 9.501 -0.595 632 HA3 GLY 676 1HA GLY 676 9.989 9.683 1.081 633 H THR 677 H THR 677 9.714 11.953 0.594 634 HA THR 677 HA THR 677 11.994 13.556 -0.010 635 HB THR 677 HB THR 677 9.302 14.349 1.153 636 HG1 THR 677 1HG THR 677 10.209 13.910 -1.484 637 HG21 THR 677 2HG THR 677 11.372 15.968 -0.344 638 HA PRO 678 HA PRO 678 13.340 13.785 4.333 639 HB2 PRO 678 2HB PRO 678 14.888 16.114 3.425 640 HB3 PRO 678 1HB PRO 678 15.466 14.618 4.162 641 HG2 PRO 678 2HG PRO 678 15.918 15.130 1.594 642 HG3 PRO 678 1HG PRO 678 15.518 13.494 2.170 643 HD2 PRO 678 2HD PRO 678 13.725 15.504 0.834 644 HD3 PRO 678 1HD PRO 678 13.903 13.759 0.520 645 H TYR 679 H TYR 679 12.308 14.720 5.837 646 HA TYR 679 HA TYR 679 10.890 17.235 5.299 647 HB2 TYR 679 2HB TYR 679 10.542 15.301 7.620 648 HB3 TYR 679 1HB TYR 679 9.621 16.775 7.341 649 HD1 TYR 679 1HD TYR 679 9.887 15.824 4.166 650 HD2 TYR 679 2HD TYR 679 8.156 14.370 7.753 651 HE1 TYR 679 1HE TYR 679 8.245 14.598 2.856 652 HE2 TYR 679 2HE TYR 679 6.491 13.126 6.452 653 HH TYR 679 HH TYR 679 6.800 12.666 3.067 654 H ASN 680 H ASN 680 10.587 18.455 7.595 655 HA ASN 680 HA ASN 680 13.138 19.611 8.012 656 HB2 ASN 680 2HB ASN 680 11.107 20.980 8.113 657 HB3 ASN 680 1HB ASN 680 10.537 20.057 9.498 658 HD21 ASN 680 2HD ASN 680 13.904 22.203 10.358 659 H ASN 681 H ASN 681 14.544 18.253 8.876 660 HA ASN 681 HA ASN 681 14.313 17.708 11.700 661 HB2 ASN 681 2HB ASN 681 13.445 15.598 10.646 662 HB3 ASN 681 1HB ASN 681 14.936 15.471 9.718 663 HD21 ASN 681 2HD ASN 681 15.995 13.360 12.319 664 H GLU 682 H GLU 682 16.302 17.700 12.637 665 HA GLU 682 HA GLU 682 18.280 19.215 11.377 666 HB2 GLU 682 2HB GLU 682 17.817 19.147 13.782 667 HB3 GLU 682 1HB GLU 682 18.438 17.508 13.850 668 HG2 GLU 682 2HG GLU 682 20.647 18.319 13.282 669 HG3 GLU 682 1HG GLU 682 20.020 19.961 13.125 670 H LYS 683 H LYS 683 17.884 15.781 11.690 671 HA LYS 683 HA LYS 683 20.545 15.136 10.718 672 HB2 LYS 683 2HB LYS 683 19.414 13.724 12.367 673 HB3 LYS 683 1HB LYS 683 18.124 13.394 11.224 674 HG2 LYS 683 2HG LYS 683 19.796 12.289 9.745 675 HG3 LYS 683 1HG LYS 683 21.012 12.528 10.994 676 HD2 LYS 683 2HD LYS 683 18.461 10.941 11.271 677 HD3 LYS 683 1HD LYS 683 20.078 10.275 11.076 678 HE2 LYS 683 2HE LYS 683 20.757 11.249 13.206 679 HE3 LYS 683 1HE LYS 683 19.172 11.987 13.393 680 HZ1 LYS 683 3HZ LYS 683 19.326 9.967 14.668 681 HZ2 LYS 683 1HZ LYS 683 19.715 9.078 13.282 682 HZ3 LYS 683 2HZ LYS 683 18.192 9.788 13.430 683 H ARG 684 H ARG 684 17.673 16.115 9.328 684 HA ARG 684 HA ARG 684 16.592 15.956 7.407 685 HB2 ARG 684 2HB ARG 684 19.333 15.408 6.210 686 HB3 ARG 684 1HB ARG 684 17.896 15.724 5.257 687 HG2 ARG 684 2HG ARG 684 18.953 17.797 5.296 688 HG3 ARG 684 1HG ARG 684 17.754 17.892 6.591 689 HD2 ARG 684 2HD ARG 684 19.834 18.843 7.369 690 HD3 ARG 684 1HD ARG 684 19.516 17.334 8.225 691 HE ARG 684 HE ARG 684 21.058 16.817 5.946 692 HH12 ARG 684 1HH ARG 684 23.059 17.930 9.293 693 HH21 ARG 684 2HH ARG 684 24.208 16.889 7.489 694 H THR 685 H THR 685 15.224 14.453 7.600 695 HA THR 685 HA THR 685 16.098 11.711 7.065 696 HB THR 685 HB THR 685 13.900 12.711 8.860 697 HG1 THR 685 1HG THR 685 15.855 11.058 9.838 698 HG21 THR 685 2HG THR 685 13.561 10.349 9.493 699 HA PRO 686 HA PRO 686 13.282 11.898 3.518 700 HB2 PRO 686 2HB PRO 686 14.215 9.098 3.305 701 HB3 PRO 686 1HB PRO 686 14.276 10.386 2.096 702 HG2 PRO 686 2HG PRO 686 16.488 9.513 3.312 703 HG3 PRO 686 1HG PRO 686 16.272 11.225 2.896 704 HD2 PRO 686 2HD PRO 686 15.973 9.862 5.542 705 HD3 PRO 686 1HD PRO 686 16.694 11.444 5.149 706 H ARG 687 H ARG 687 11.203 11.070 3.377 707 HA ARG 687 HA ARG 687 10.217 9.938 5.736 708 HB2 ARG 687 2HB ARG 687 9.084 11.620 4.364 709 HB3 ARG 687 1HB ARG 687 8.888 10.430 3.097 710 HG2 ARG 687 2HG ARG 687 6.851 10.722 4.306 711 HG3 ARG 687 1HG ARG 687 7.505 9.095 4.563 712 HD2 ARG 687 2HD ARG 687 8.013 11.335 6.527 713 HD3 ARG 687 1HD ARG 687 6.544 10.381 6.613 714 HE ARG 687 HE ARG 687 7.895 8.451 6.988 715 HH12 ARG 687 1HH ARG 687 10.581 11.028 8.721 716 HH21 ARG 687 2HH ARG 687 10.482 8.760 9.437 717 H ALA 688 H ALA 688 9.082 8.084 5.924 718 HA ALA 688 HA ALA 688 9.371 5.918 4.007 719 HB1 ALA 688 1HB ALA 688 11.198 5.610 5.633 720 HB2 ALA 688 2HB ALA 688 9.955 4.384 5.879 721 HB3 ALA 688 3HB ALA 688 10.050 5.773 6.960 722 H THR 689 H THR 689 7.628 4.520 4.160 723 HA THR 689 HA THR 689 5.489 5.167 6.062 724 HB THR 689 HB THR 689 5.313 5.170 3.073 725 HG1 THR 689 1HG THR 689 5.948 6.968 4.320 726 HG21 THR 689 2HG THR 689 3.362 3.940 3.855 727 H LEU 690 H LEU 690 4.241 3.402 6.716 728 HA LEU 690 HA LEU 690 4.801 0.971 5.326 729 HB2 LEU 690 2HB LEU 690 6.291 1.116 7.224 730 HB3 LEU 690 1HB LEU 690 4.961 1.470 8.295 731 HG LEU 690 HG LEU 690 5.095 -1.095 6.807 732 HD13 LEU 690 1HD LEU 690 6.191 -2.064 8.831 733 HD21 LEU 690 2HD LEU 690 3.848 -0.302 9.432 734 H ILE 691 H ILE 691 3.034 -0.068 4.830 735 HA ILE 691 HA ILE 691 0.438 0.652 6.031 736 HB ILE 691 HB ILE 691 1.000 -1.146 3.623 737 HG12 ILE 691 1HG ILE 691 -0.110 0.476 2.248 738 HG23 ILE 691 2HG ILE 691 -1.376 -1.194 3.233 739 HD11 ILE 691 1HD ILE 691 2.116 1.871 3.698 740 H THR 692 H THR 692 -0.589 -0.784 7.347 741 HA THR 692 HA THR 692 0.656 -3.412 7.679 742 HB THR 692 HB THR 692 -1.164 -1.882 9.572 743 HG1 THR 692 1HG THR 692 1.275 -1.372 8.850 744 HG21 THR 692 2HG THR 692 -1.017 -4.328 9.953 745 H PHE 693 H PHE 693 -0.511 -5.016 6.734 746 HA PHE 693 HA PHE 693 -3.221 -4.431 5.890 747 HB2 PHE 693 2HB PHE 693 -1.487 -6.850 5.299 748 HB3 PHE 693 1HB PHE 693 -3.061 -6.517 4.591 749 HD1 PHE 693 2HD PHE 693 -3.316 -4.553 3.081 750 HD2 PHE 693 1HD PHE 693 0.437 -5.920 4.449 751 HE1 PHE 693 2HE PHE 693 -2.167 -3.223 1.281 752 HE2 PHE 693 1HE PHE 693 1.579 -4.632 2.677 753 HZ PHE 693 HZ PHE 693 0.256 -3.292 1.094 754 H LEU 694 H LEU 694 -4.793 -4.880 7.127 755 HA LEU 694 HA LEU 694 -4.564 -7.067 9.050 756 HB2 LEU 694 2HB LEU 694 -6.521 -4.774 8.908 757 HB3 LEU 694 1HB LEU 694 -6.495 -6.015 10.142 758 HG LEU 694 HG LEU 694 -4.364 -3.942 9.672 759 HD13 LEU 694 1HD LEU 694 -6.399 -3.018 10.633 760 HD21 LEU 694 2HD LEU 694 -4.588 -6.076 11.794 761 H CYS 695 H CYS 695 -6.254 -8.530 9.126 762 HA CYS 695 HA CYS 695 -7.726 -8.696 6.602 763 HB2 CYS 695 2HB CYS 695 -6.194 -10.554 7.119 764 HB3 CYS 695 1HB CYS 695 -7.042 -10.881 8.606 765 H ASP 696 H ASP 696 -8.175 -7.345 9.268 766 HA ASP 696 HA ASP 696 -10.681 -8.477 10.163 767 HB2 ASP 696 2HB ASP 696 -9.126 -7.314 11.766 768 HB3 ASP 696 1HB ASP 696 -9.392 -5.818 10.885 769 H ARG 697 H ARG 697 -12.678 -7.566 9.646 770 HA ARG 697 HA ARG 697 -14.239 -6.550 8.325 771 HB2 ARG 697 2HB ARG 697 -13.328 -4.401 9.190 772 HB3 ARG 697 1HB ARG 697 -12.121 -4.404 7.917 773 HG2 ARG 697 2HG ARG 697 -14.036 -4.382 6.264 774 HG3 ARG 697 1HG ARG 697 -15.098 -4.062 7.631 775 HD2 ARG 697 2HD ARG 697 -12.760 -2.360 6.756 776 HD3 ARG 697 1HD ARG 697 -14.452 -1.994 6.470 777 HE ARG 697 HE ARG 697 -14.330 -2.175 9.153 778 HH12 ARG 697 1HH ARG 697 -11.937 0.850 7.797 779 HH21 ARG 697 2HH ARG 697 -12.860 0.936 10.014 780 H ASP 698 H ASP 698 -14.548 -7.873 6.620 781 HA ASP 698 HA ASP 698 -12.495 -8.085 4.603 782 HB2 ASP 698 2HB ASP 698 -15.256 -9.333 4.767 783 HB3 ASP 698 1HB ASP 698 -14.162 -9.575 3.416 784 H ALA 699 H ALA 699 -12.261 -6.589 3.237 785 HA ALA 699 HA ALA 699 -14.603 -5.239 2.067 786 HB1 ALA 699 1HB ALA 699 -11.886 -4.085 2.728 787 HB2 ALA 699 2HB ALA 699 -13.392 -3.745 3.579 788 HB3 ALA 699 3HB ALA 699 -13.187 -3.219 1.908 789 H GLY 700 H GLY 700 -13.217 -7.619 1.233 790 HA2 GLY 700 2HA GLY 700 -12.393 -8.594 -0.656 791 HA3 GLY 700 1HA GLY 700 -12.831 -7.110 -1.496 792 H VAL 701 H VAL 701 -11.282 -5.983 -2.313 793 HA VAL 701 HA VAL 701 -8.540 -6.703 -2.151 794 HB VAL 701 HB VAL 701 -9.702 -5.617 -4.058 795 HG13 VAL 701 1HG VAL 701 -9.887 -3.171 -4.163 796 HG21 VAL 701 2HG VAL 701 -7.294 -5.722 -4.082 797 H GLY 702 H GLY 702 -10.486 -4.496 -0.521 798 HA2 GLY 702 2HA GLY 702 -10.050 -3.723 1.683 799 HA3 GLY 702 1HA GLY 702 -8.344 -4.015 1.394 800 H PHE 703 H PHE 703 -9.762 -1.709 2.436 801 HA PHE 703 HA PHE 703 -8.791 0.238 0.487 802 HB2 PHE 703 2HB PHE 703 -11.247 0.364 0.799 803 HB3 PHE 703 1HB PHE 703 -11.006 0.606 2.526 804 HD1 PHE 703 2HD PHE 703 -10.278 2.061 -0.790 805 HD2 PHE 703 1HD PHE 703 -10.684 2.758 3.386 806 HE1 PHE 703 2HE PHE 703 -10.098 4.470 -1.183 807 HE2 PHE 703 1HE PHE 703 -10.499 5.177 2.999 808 HZ PHE 703 HZ PHE 703 -10.199 6.027 0.702 809 HA PRO 704 HA PRO 704 -5.902 1.062 3.801 810 HB2 PRO 704 2HB PRO 704 -4.552 3.075 2.630 811 HB3 PRO 704 1HB PRO 704 -4.359 1.391 2.127 812 HG2 PRO 704 2HG PRO 704 -5.978 3.566 0.868 813 HG3 PRO 704 1HG PRO 704 -4.953 2.341 0.100 814 HD2 PRO 704 2HD PRO 704 -7.675 2.134 0.265 815 HD3 PRO 704 1HD PRO 704 -6.587 0.735 0.197 816 H GLU 705 H GLU 705 -6.034 2.293 5.548 817 HA GLU 705 HA GLU 705 -7.184 4.968 5.351 818 HB2 GLU 705 2HB GLU 705 -7.664 2.819 7.377 819 HB3 GLU 705 1HB GLU 705 -8.193 4.491 7.630 820 HG2 GLU 705 2HG GLU 705 -9.545 4.262 5.513 821 HG3 GLU 705 1HG GLU 705 -9.065 2.575 5.490 822 H TYR 706 H TYR 706 -6.369 6.417 6.972 823 HA TYR 706 HA TYR 706 -3.589 5.812 7.559 824 HB2 TYR 706 2HB TYR 706 -4.062 7.962 6.519 825 HB3 TYR 706 1HB TYR 706 -5.164 8.384 7.825 826 HD1 TYR 706 1HD TYR 706 -1.661 7.056 7.706 827 HD2 TYR 706 2HD TYR 706 -4.285 10.090 9.124 828 HE1 TYR 706 1HE TYR 706 0.194 8.072 8.936 829 HE2 TYR 706 2HE TYR 706 -2.430 11.123 10.359 830 HH TYR 706 HH TYR 706 -0.249 10.468 11.317 831 H GLN 707 H GLN 707 -2.827 5.365 9.609 832 HA GLN 707 HA GLN 707 -4.698 5.908 11.761 833 HB2 GLN 707 2HB GLN 707 -3.591 4.123 13.083 834 HB3 GLN 707 1HB GLN 707 -4.240 3.484 11.589 835 HG2 GLN 707 2HG GLN 707 -1.930 3.583 10.655 836 HG3 GLN 707 1HG GLN 707 -1.364 4.047 12.258 837 HE21 GLN 707 2HE GLN 707 -0.841 0.646 12.783 838 H GLU 708 H GLU 708 -4.219 7.606 12.876 839 HA GLU 708 HA GLU 708 -1.766 8.944 12.429 840 HB2 GLU 708 2HB GLU 708 -3.866 10.180 12.681 841 HB3 GLU 708 1HB GLU 708 -4.006 9.629 14.342 842 HG2 GLU 708 2HG GLU 708 -3.216 11.916 14.265 843 HG3 GLU 708 1HG GLU 708 -1.970 10.856 14.914 844 H GLU 709 H GLU 709 -0.191 7.659 13.145 845 HA GLU 709 HA GLU 709 0.373 7.877 15.973 846 HB2 GLU 709 2HB GLU 709 0.681 5.298 14.391 847 HB3 GLU 709 1HB GLU 709 1.348 5.571 15.989 848 HG2 GLU 709 2HG GLU 709 -0.967 5.860 16.850 849 HG3 GLU 709 1HG GLU 709 -1.571 5.452 15.247 850 H ASP 710 H ASP 710 2.643 7.618 16.372 851 HA ASP 710 HA ASP 710 4.816 8.066 16.122 852 HB2 ASP 710 2HB ASP 710 4.749 6.279 14.321 853 HB3 ASP 710 1HB ASP 710 4.521 7.563 13.139 854 H ASN 711 H ASN 711 6.315 9.701 15.323 855 HA ASN 711 HA ASN 711 4.954 12.194 15.096 856 HB2 ASN 711 2HB ASN 711 6.965 12.053 16.450 857 HB3 ASN 711 1HB ASN 711 7.907 11.554 15.053 858 HD21 ASN 711 2HD ASN 711 7.002 15.468 15.694 859 H SER 712 H SER 712 6.575 10.057 12.852 860 HA SER 712 HA SER 712 5.688 11.777 10.728 861 HB2 SER 712 2HB SER 712 8.008 11.877 9.695 862 HB3 SER 712 1HB SER 712 7.679 12.911 11.085 863 HG SER 712 HG SER 712 8.959 10.365 11.246 864 H THR 713 H THR 713 6.753 8.617 11.714 865 HA THR 713 HA THR 713 6.834 7.694 8.993 866 HB THR 713 HB THR 713 6.931 6.107 11.587 867 HG1 THR 713 1HG THR 713 8.971 6.564 11.603 868 HG21 THR 713 2HG THR 713 7.846 4.302 10.176 869 H TYR 714 H TYR 714 5.034 7.630 7.982 870 HA TYR 714 HA TYR 714 2.524 7.564 9.251 871 HB2 TYR 714 2HB TYR 714 3.215 7.373 6.324 872 HB3 TYR 714 1HB TYR 714 1.608 7.657 6.981 873 HD1 TYR 714 2HD TYR 714 1.237 9.769 8.357 874 HD2 TYR 714 1HD TYR 714 4.701 9.177 5.952 875 HE1 TYR 714 2HE TYR 714 1.665 12.179 8.388 876 HE2 TYR 714 1HE TYR 714 5.119 11.596 5.981 877 HH TYR 714 HH TYR 714 3.593 13.661 8.131 878 H ASN 715 H ASN 715 1.558 5.905 9.974 879 HA ASN 715 HA ASN 715 1.930 3.298 8.728 880 HB2 ASN 715 2HB ASN 715 0.934 4.115 11.448 881 HB3 ASN 715 1HB ASN 715 0.535 2.551 10.773 882 HD21 ASN 715 2HD ASN 715 3.581 1.056 11.397 883 H PHE 716 H PHE 716 0.402 2.355 7.676 884 HA PHE 716 HA PHE 716 -2.220 3.619 7.725 885 HB2 PHE 716 2HB PHE 716 -0.756 2.417 5.407 886 HB3 PHE 716 1HB PHE 716 -2.497 2.709 5.364 887 HD1 PHE 716 2HD PHE 716 0.812 4.269 5.508 888 HD2 PHE 716 1HD PHE 716 -3.379 4.891 5.318 889 HE1 PHE 716 2HE PHE 716 1.181 6.645 4.977 890 HE2 PHE 716 1HE PHE 716 -3.013 7.248 4.784 891 HZ PHE 716 HZ PHE 716 -0.768 8.123 4.629 892 H ARG 717 H ARG 717 -4.000 2.459 7.731 893 HA ARG 717 HA ARG 717 -3.609 -0.296 8.580 894 HB2 ARG 717 2HB ARG 717 -4.428 1.312 10.282 895 HB3 ARG 717 1HB ARG 717 -5.801 1.670 9.248 896 HG2 ARG 717 2HG ARG 717 -6.602 -0.586 9.484 897 HG3 ARG 717 1HG ARG 717 -5.176 -1.016 10.434 898 HD2 ARG 717 2HD ARG 717 -7.240 1.048 11.191 899 HD3 ARG 717 1HD ARG 717 -7.111 -0.571 11.870 900 HE ARG 717 HE ARG 717 -4.675 0.840 12.140 901 HH12 ARG 717 1HH ARG 717 -7.413 1.217 15.086 902 HH21 ARG 717 2HH ARG 717 -5.166 1.854 15.437 903 H TRP 718 H TRP 718 -4.036 -1.475 6.929 904 HA TRP 718 HA TRP 718 -6.082 -0.685 4.971 905 HB2 TRP 718 2HB TRP 718 -3.672 -0.974 4.268 906 HB3 TRP 718 1HB TRP 718 -3.805 -2.662 4.712 907 HD1 TRP 718 HD TRP 718 -6.337 -3.618 3.251 908 HE1 TRP 718 1HE TRP 718 -6.495 -3.574 0.653 909 HE3 TRP 718 3HE TRP 718 -2.738 -0.084 2.217 910 HZ2 TRP 718 2HZ TRP 718 -5.292 -2.260 -1.472 911 HZ3 TRP 718 3HZ TRP 718 -2.325 0.482 -0.119 912 HH2 TRP 718 HH TRP 718 -3.570 -0.578 -1.923 913 H TYR 719 H TYR 719 -7.935 -1.737 5.401 914 HA TYR 719 HA TYR 719 -7.872 -4.361 6.670 915 HB2 TYR 719 2HB TYR 719 -10.165 -2.545 5.907 916 HB3 TYR 719 1HB TYR 719 -10.349 -4.106 6.690 917 HD1 TYR 719 2HD TYR 719 -9.592 -4.410 8.992 918 HD2 TYR 719 1HD TYR 719 -9.539 -0.594 7.158 919 HE1 TYR 719 2HE TYR 719 -9.453 -3.372 11.197 920 HE2 TYR 719 1HE TYR 719 -9.395 0.466 9.365 921 HH TYR 719 HH TYR 719 -9.982 -0.085 11.672 922 H THR 720 H THR 720 -7.551 -5.990 5.307 923 HA THR 720 HA THR 720 -9.080 -5.988 2.838 924 HB THR 720 HB THR 720 -6.930 -5.198 2.086 925 HG1 THR 720 1HG THR 720 -7.143 -6.411 0.471 926 HG21 THR 720 2HG THR 720 -4.896 -6.483 2.368 927 H SER 721 H SER 721 -9.714 -7.928 2.069 928 HA SER 721 HA SER 721 -9.884 -10.034 3.976 929 HB2 SER 721 2HB SER 721 -11.685 -9.430 2.313 930 HB3 SER 721 1HB SER 721 -10.642 -10.042 1.035 931 HG SER 721 HG SER 721 -11.781 -11.450 3.204 932 H TYR 722 H TYR 722 -7.780 -9.150 1.363 933 HA TYR 722 HA TYR 722 -6.738 -11.709 0.765 934 HB2 TYR 722 2HB TYR 722 -5.705 -8.949 0.203 935 HB3 TYR 722 1HB TYR 722 -4.815 -10.390 -0.255 936 HD1 TYR 722 2HD TYR 722 -5.627 -11.830 -2.025 937 HD2 TYR 722 1HD TYR 722 -7.731 -8.300 -0.963 938 HE1 TYR 722 2HE TYR 722 -6.873 -11.948 -4.139 939 HE2 TYR 722 1HE TYR 722 -8.991 -8.419 -3.091 940 HH TYR 722 HH TYR 722 -8.661 -9.375 -5.329 941 H ALA 723 H ALA 723 -6.127 -9.587 3.409 942 HA ALA 723 HA ALA 723 -3.468 -10.396 3.921 943 HB1 ALA 723 1HB ALA 723 -5.491 -9.225 5.830 944 HB2 ALA 723 2HB ALA 723 -4.361 -8.336 4.824 945 HB3 ALA 723 3HB ALA 723 -3.748 -9.358 6.116 946 H CYS 724 H CYS 724 -6.247 -12.239 4.166 947 HA CYS 724 HA CYS 724 -4.974 -13.998 6.121 948 HB2 CYS 724 2HB CYS 724 -7.805 -13.957 5.065 949 HB3 CYS 724 1HB CYS 724 -7.167 -15.313 5.976 950 HA PRO 725 HA PRO 725 -3.897 -16.485 2.545 951 HB2 PRO 725 2HB PRO 725 -3.023 -18.705 3.874 952 HB3 PRO 725 1HB PRO 725 -2.045 -17.242 3.720 953 HG2 PRO 725 2HG PRO 725 -3.658 -18.216 6.034 954 HG3 PRO 725 1HG PRO 725 -2.098 -17.378 6.032 955 HD2 PRO 725 2HD PRO 725 -4.497 -16.165 6.577 956 HD3 PRO 725 1HD PRO 725 -3.083 -15.310 5.937 Start of MODEL 3 1 H1 GLU 578 1HT GLU 578 20.402 9.233 16.817 2 H2 GLU 578 2HT GLU 578 20.386 8.134 15.507 3 H3 GLU 578 3HT GLU 578 21.106 7.705 16.954 4 HA GLU 578 HA GLU 578 19.076 7.683 18.097 5 HB2 GLU 578 2HB GLU 578 17.957 9.474 16.832 6 HB3 GLU 578 1HB GLU 578 17.877 8.432 15.422 7 HG2 GLU 578 2HG GLU 578 16.427 6.891 16.656 8 HG3 GLU 578 1HG GLU 578 16.496 7.964 18.054 9 H ALA 579 H ALA 579 19.218 5.623 18.453 10 HA ALA 579 HA ALA 579 18.330 3.775 16.439 11 HB1 ALA 579 1HB ALA 579 21.061 3.534 17.703 12 HB2 ALA 579 2HB ALA 579 20.741 3.901 16.008 13 HB3 ALA 579 3HB ALA 579 20.288 2.330 16.674 14 H GLU 580 H GLU 580 16.970 2.522 17.451 15 HA GLU 580 HA GLU 580 17.547 1.734 20.230 16 HB2 GLU 580 2HB GLU 580 14.840 2.450 19.094 17 HB3 GLU 580 1HB GLU 580 15.130 1.805 20.698 18 HG2 GLU 580 2HG GLU 580 16.392 3.819 21.266 19 HG3 GLU 580 1HG GLU 580 16.077 4.459 19.655 20 H ALA 581 H ALA 581 15.287 1.182 17.628 21 HA ALA 581 HA ALA 581 15.998 -1.403 16.968 22 HB1 ALA 581 1HB ALA 581 15.100 -2.043 19.176 23 HB2 ALA 581 2HB ALA 581 14.081 -2.671 17.878 24 HB3 ALA 581 3HB ALA 581 13.574 -1.245 18.789 25 H GLU 582 H GLU 582 15.804 -0.129 15.116 26 HA GLU 582 HA GLU 582 13.145 0.760 14.355 27 HB2 GLU 582 2HB GLU 582 15.824 1.155 13.003 28 HB3 GLU 582 1HB GLU 582 14.305 1.735 12.351 29 HG2 GLU 582 2HG GLU 582 15.469 3.558 13.422 30 HG3 GLU 582 1HG GLU 582 14.021 3.166 14.339 31 H PHE 583 H PHE 583 15.071 -1.912 14.055 32 HA PHE 583 HA PHE 583 13.258 -2.921 12.047 33 HB2 PHE 583 2HB PHE 583 15.422 -2.365 10.928 34 HB3 PHE 583 1HB PHE 583 16.240 -3.460 12.036 35 HD1 PHE 583 2HD PHE 583 13.690 -3.289 9.369 36 HD2 PHE 583 1HD PHE 583 16.347 -5.769 11.577 37 HE1 PHE 583 2HE PHE 583 13.239 -5.144 7.825 38 HE2 PHE 583 1HE PHE 583 15.896 -7.626 10.028 39 HZ PHE 583 HZ PHE 583 14.341 -7.308 8.154 40 H LEU 584 H LEU 584 12.114 -4.094 13.404 41 HA LEU 584 HA LEU 584 13.333 -5.844 15.381 42 HB2 LEU 584 2HB LEU 584 10.458 -5.475 14.503 43 HB3 LEU 584 1HB LEU 584 10.982 -6.439 15.869 44 HG LEU 584 HG LEU 584 11.307 -3.444 15.648 45 HD13 LEU 584 1HD LEU 584 9.553 -3.343 17.348 46 HD21 LEU 584 2HD LEU 584 13.032 -4.484 17.023 47 H SER 585 H SER 585 11.730 -8.120 15.196 48 HA SER 585 HA SER 585 12.849 -9.429 12.962 49 HB2 SER 585 2HB SER 585 10.704 -10.355 14.876 50 HB3 SER 585 1HB SER 585 11.519 -11.397 13.704 51 HG SER 585 HG SER 585 12.444 -10.279 16.071 52 H ARG 586 H ARG 586 12.230 -8.319 11.261 53 HA ARG 586 HA ARG 586 9.462 -8.589 10.300 54 HB2 ARG 586 2HB ARG 586 10.014 -6.262 10.908 55 HB3 ARG 586 1HB ARG 586 11.462 -6.336 9.930 56 HG2 ARG 586 2HG ARG 586 10.107 -6.476 7.915 57 HG3 ARG 586 1HG ARG 586 8.634 -6.464 8.893 58 HD2 ARG 586 2HD ARG 586 10.705 -4.251 8.865 59 HD3 ARG 586 1HD ARG 586 9.200 -4.224 7.949 60 HE ARG 586 HE ARG 586 8.059 -4.375 10.146 61 HH12 ARG 586 1HH ARG 586 11.062 -1.873 11.325 62 HH21 ARG 586 2HH ARG 586 9.056 -1.974 12.547 63 H THR 587 H THR 587 9.457 -9.928 8.650 64 HA THR 587 HA THR 587 11.906 -10.694 7.298 65 HB THR 587 HB THR 587 9.062 -11.646 6.904 66 HG1 THR 587 1HG THR 587 9.745 -13.369 8.332 67 HG21 THR 587 2HG THR 587 11.699 -12.988 6.301 68 H GLU 588 H GLU 588 12.450 -9.793 5.289 69 HA GLU 588 HA GLU 588 10.310 -8.306 3.949 70 HB2 GLU 588 2HB GLU 588 12.315 -6.982 4.616 71 HB3 GLU 588 1HB GLU 588 13.289 -8.013 3.571 72 HG2 GLU 588 2HG GLU 588 11.900 -7.291 1.650 73 HG3 GLU 588 1HG GLU 588 11.072 -6.171 2.721 74 H GLY 589 H GLY 589 9.673 -8.852 1.986 75 HA2 GLY 589 2HA GLY 589 11.117 -10.996 0.582 76 HA3 GLY 589 1HA GLY 589 9.403 -10.628 0.377 77 H ASP 590 H ASP 590 9.399 -10.151 -1.797 78 HA ASP 590 HA ASP 590 9.887 -7.561 -2.631 79 HB2 ASP 590 2HB ASP 590 12.336 -8.204 -2.526 80 HB3 ASP 590 1HB ASP 590 12.003 -9.490 -3.675 81 H ASN 591 H ASN 591 9.699 -7.448 -5.075 82 HA ASN 591 HA ASN 591 8.531 -7.923 -7.014 83 HB2 ASN 591 2HB ASN 591 10.107 -9.899 -6.993 84 HB3 ASN 591 1HB ASN 591 8.881 -10.817 -6.146 85 HD21 ASN 591 2HD ASN 591 7.720 -9.799 -9.919 86 H CYS 592 H CYS 592 7.091 -7.392 -4.570 87 HA CYS 592 HA CYS 592 4.954 -7.188 -3.865 88 HB2 CYS 592 2HB CYS 592 4.247 -8.716 -6.373 89 HB3 CYS 592 1HB CYS 592 3.085 -7.920 -5.316 90 H THR 593 H THR 593 6.672 -9.610 -3.335 91 HA THR 593 HA THR 593 4.517 -11.147 -2.183 92 HB THR 593 HB THR 593 5.873 -13.244 -2.544 93 HG1 THR 593 1HG THR 593 7.598 -11.465 -3.696 94 HG21 THR 593 2HG THR 593 3.908 -12.795 -3.921 95 H VAL 594 H VAL 594 4.987 -12.072 -0.277 96 HA VAL 594 HA VAL 594 7.536 -11.362 0.903 97 HB VAL 594 HB VAL 594 6.022 -9.776 1.859 98 HG13 VAL 594 1HG VAL 594 3.935 -10.740 1.201 99 HG21 VAL 594 2HG VAL 594 5.942 -10.375 4.192 100 H PHE 595 H PHE 595 8.579 -13.053 1.553 101 HA PHE 595 HA PHE 595 7.064 -15.395 2.316 102 HB2 PHE 595 2HB PHE 595 8.786 -16.800 1.120 103 HB3 PHE 595 1HB PHE 595 7.705 -15.894 0.076 104 HD1 PHE 595 1HD PHE 595 8.534 -14.037 -1.258 105 HD2 PHE 595 2HD PHE 595 11.151 -16.273 1.244 106 HE1 PHE 595 1HE PHE 595 10.462 -13.070 -2.422 107 HE2 PHE 595 2HE PHE 595 13.085 -15.307 0.080 108 HZ PHE 595 HZ PHE 595 12.741 -13.700 -1.757 109 H ASP 596 H ASP 596 7.750 -16.421 3.971 110 HA ASP 596 HA ASP 596 10.151 -15.393 5.340 111 HB2 ASP 596 2HB ASP 596 7.918 -15.099 6.510 112 HB3 ASP 596 1HB ASP 596 7.765 -16.832 6.590 113 H SER 597 H SER 597 11.823 -16.715 5.312 114 HA SER 597 HA SER 597 11.634 -19.291 4.224 115 HB2 SER 597 2HB SER 597 14.067 -19.403 4.801 116 HB3 SER 597 1HB SER 597 13.599 -17.988 3.857 117 HG SER 597 HG SER 597 14.878 -18.014 6.103 118 H GLN 598 H GLN 598 12.015 -18.192 7.581 119 HA GLN 598 HA GLN 598 12.250 -20.917 8.397 120 HB2 GLN 598 2HB GLN 598 12.314 -20.083 10.771 121 HB3 GLN 598 1HB GLN 598 13.653 -19.637 9.737 122 HG2 GLN 598 2HG GLN 598 11.358 -17.784 10.369 123 HG3 GLN 598 1HG GLN 598 12.792 -17.904 11.381 124 HE21 GLN 598 2HE GLN 598 12.860 -15.776 7.968 125 H ALA 599 H ALA 599 9.689 -18.562 8.631 126 HA ALA 599 HA ALA 599 8.073 -20.386 10.164 127 HB1 ALA 599 1HB ALA 599 7.813 -17.956 10.405 128 HB2 ALA 599 2HB ALA 599 6.298 -18.734 9.938 129 HB3 ALA 599 3HB ALA 599 7.253 -17.859 8.739 130 H GLY 600 H GLY 600 8.742 -19.875 6.864 131 HA2 GLY 600 2HA GLY 600 8.142 -21.140 5.023 132 HA3 GLY 600 1HA GLY 600 7.273 -22.210 6.117 133 H PHE 601 H PHE 601 6.980 -18.862 5.010 134 HA PHE 601 HA PHE 601 4.196 -19.397 4.302 135 HB2 PHE 601 2HB PHE 601 4.219 -18.443 6.581 136 HB3 PHE 601 1HB PHE 601 5.171 -17.085 6.004 137 HD1 PHE 601 1HD PHE 601 1.890 -18.757 5.736 138 HD2 PHE 601 2HD PHE 601 4.115 -15.192 5.084 139 HE1 PHE 601 1HE PHE 601 -0.197 -17.545 5.269 140 HE2 PHE 601 2HE PHE 601 2.034 -13.974 4.622 141 HZ PHE 601 HZ PHE 601 -0.124 -15.151 4.711 142 H SER 602 H SER 602 3.541 -18.226 2.478 143 HA SER 602 HA SER 602 5.344 -16.190 1.438 144 HB2 SER 602 2HB SER 602 5.967 -18.286 0.311 145 HB3 SER 602 1HB SER 602 4.284 -18.559 -0.137 146 HG SER 602 HG SER 602 6.096 -17.283 -1.485 147 H PHE 603 H PHE 603 4.181 -14.453 0.827 148 HA PHE 603 HA PHE 603 1.387 -14.964 0.178 149 HB2 PHE 603 2HB PHE 603 2.039 -13.957 2.568 150 HB3 PHE 603 1HB PHE 603 2.022 -12.486 1.622 151 HD1 PHE 603 1HD PHE 603 -0.027 -15.492 2.206 152 HD2 PHE 603 2HD PHE 603 0.048 -11.374 1.185 153 HE1 PHE 603 1HE PHE 603 -2.461 -15.469 2.208 154 HE2 PHE 603 2HE PHE 603 -2.412 -11.349 1.179 155 HZ PHE 603 HZ PHE 603 -3.655 -13.398 1.689 156 H ASP 604 H ASP 604 0.438 -13.536 -1.202 157 HA ASP 604 HA ASP 604 2.226 -11.794 -2.785 158 HB2 ASP 604 2HB ASP 604 1.876 -13.941 -3.947 159 HB3 ASP 604 1HB ASP 604 0.143 -13.762 -3.747 160 H LEU 605 H LEU 605 1.246 -9.873 -3.437 161 HA LEU 605 HA LEU 605 -1.657 -9.548 -2.892 162 HB2 LEU 605 2HB LEU 605 0.507 -7.522 -2.275 163 HB3 LEU 605 1HB LEU 605 -1.215 -7.229 -2.129 164 HG LEU 605 HG LEU 605 0.407 -9.163 -0.453 165 HD13 LEU 605 1HD LEU 605 -0.847 -6.515 0.227 166 HD21 LEU 605 2HD LEU 605 -1.645 -9.386 0.900 167 H THR 606 H THR 606 -0.058 -10.085 -5.371 168 HA THR 606 HA THR 606 0.203 -7.727 -6.835 169 HB THR 606 HB THR 606 0.167 -9.142 -8.912 170 HG1 THR 606 1HG THR 606 -0.190 -11.253 -7.023 171 HG21 THR 606 2HG THR 606 2.244 -8.721 -7.691 172 HA PRO 607 HA PRO 607 -4.261 -8.211 -8.628 173 HB2 PRO 607 2HB PRO 607 -5.798 -9.608 -6.557 174 HB3 PRO 607 1HB PRO 607 -5.709 -9.949 -8.285 175 HG2 PRO 607 2HG PRO 607 -4.619 -11.600 -6.451 176 HG3 PRO 607 1HG PRO 607 -3.903 -11.361 -8.054 177 HD2 PRO 607 2HD PRO 607 -3.110 -10.149 -5.433 178 HD3 PRO 607 1HD PRO 607 -2.086 -10.831 -6.715 179 H LEU 608 H LEU 608 -3.248 -7.575 -5.455 180 HA LEU 608 HA LEU 608 -5.587 -6.038 -4.698 181 HB2 LEU 608 2HB LEU 608 -3.898 -7.615 -3.241 182 HB3 LEU 608 1HB LEU 608 -3.045 -6.080 -3.193 183 HG LEU 608 HG LEU 608 -5.849 -6.390 -2.210 184 HD13 LEU 608 1HD LEU 608 -4.368 -7.809 -0.926 185 HD21 LEU 608 2HD LEU 608 -5.116 -4.142 -2.837 186 H THR 609 H THR 609 -2.355 -5.761 -5.945 187 HA THR 609 HA THR 609 -1.851 -3.036 -5.591 188 HB THR 609 HB THR 609 -0.908 -4.944 -7.750 189 HG1 THR 609 1HG THR 609 0.958 -4.833 -5.993 190 HG21 THR 609 2HG THR 609 -0.380 -2.565 -8.199 191 H LYS 610 H LYS 610 -2.503 -1.299 -6.822 192 HA LYS 610 HA LYS 610 -4.093 -1.808 -9.257 193 HB2 LYS 610 2HB LYS 610 -4.153 0.581 -7.405 194 HB3 LYS 610 1HB LYS 610 -4.953 0.460 -8.942 195 HG2 LYS 610 2HG LYS 610 -6.396 -1.362 -8.046 196 HG3 LYS 610 1HG LYS 610 -5.506 -1.172 -6.518 197 HD2 LYS 610 2HD LYS 610 -7.750 0.036 -6.642 198 HD3 LYS 610 1HD LYS 610 -6.354 0.965 -6.098 199 HE2 LYS 610 2HE LYS 610 -6.054 1.849 -8.234 200 HE3 LYS 610 1HE LYS 610 -7.432 0.944 -8.913 201 HZ1 LYS 610 3HZ LYS 610 -7.928 3.306 -8.410 202 HZ2 LYS 610 1HZ LYS 610 -7.516 3.068 -6.812 203 HZ3 LYS 610 2HZ LYS 610 -8.875 2.291 -7.430 204 H LYS 611 H LYS 611 -3.308 -0.877 -11.104 205 HA LYS 611 HA LYS 611 -0.821 0.529 -10.962 206 HB2 LYS 611 2HB LYS 611 -1.038 0.798 -13.412 207 HB3 LYS 611 1HB LYS 611 -1.258 -0.867 -12.911 208 HG2 LYS 611 2HG LYS 611 -3.667 -0.641 -13.171 209 HG3 LYS 611 1HG LYS 611 -3.466 1.057 -13.624 210 HD2 LYS 611 2HD LYS 611 -2.125 0.377 -15.549 211 HD3 LYS 611 1HD LYS 611 -2.324 -1.314 -15.092 212 HE2 LYS 611 2HE LYS 611 -4.726 -1.135 -15.428 213 HE3 LYS 611 1HE LYS 611 -4.559 0.573 -15.833 214 HZ1 LYS 611 3HZ LYS 611 -3.181 -0.057 -17.711 215 HZ2 LYS 611 1HZ LYS 611 -4.713 -0.763 -17.824 216 HZ3 LYS 611 2HZ LYS 611 -3.384 -1.692 -17.345 217 H ASP 612 H ASP 612 -4.062 1.344 -10.739 218 HA ASP 612 HA ASP 612 -3.832 4.145 -11.454 219 HB2 ASP 612 2HB ASP 612 -5.929 3.063 -11.918 220 HB3 ASP 612 1HB ASP 612 -6.062 2.481 -10.268 221 H ALA 613 H ALA 613 -3.353 2.202 -8.738 222 HA ALA 613 HA ALA 613 -2.693 2.515 -6.634 223 HB1 ALA 613 1HB ALA 613 -1.201 4.238 -7.545 224 HB2 ALA 613 2HB ALA 613 -1.730 4.616 -5.900 225 HB3 ALA 613 3HB ALA 613 -2.453 5.450 -7.278 226 H TYR 614 H TYR 614 -3.201 3.540 -4.576 227 HA TYR 614 HA TYR 614 -6.080 3.862 -4.359 228 HB2 TYR 614 2HB TYR 614 -3.959 3.078 -2.388 229 HB3 TYR 614 1HB TYR 614 -5.618 3.384 -1.887 230 HD1 TYR 614 2HD TYR 614 -3.527 1.318 -4.152 231 HD2 TYR 614 1HD TYR 614 -7.258 1.711 -2.160 232 HE1 TYR 614 2HE TYR 614 -4.134 -0.918 -4.884 233 HE2 TYR 614 1HE TYR 614 -7.873 -0.557 -2.872 234 HH TYR 614 HH TYR 614 -5.635 -2.728 -4.259 235 H LYS 615 H LYS 615 -7.051 5.388 -3.033 236 HA LYS 615 HA LYS 615 -5.486 7.808 -2.682 237 HB2 LYS 615 2HB LYS 615 -7.600 9.041 -3.317 238 HB3 LYS 615 1HB LYS 615 -6.743 8.213 -4.588 239 HG2 LYS 615 2HG LYS 615 -9.030 7.850 -4.999 240 HG3 LYS 615 1HG LYS 615 -8.378 6.343 -4.345 241 HD2 LYS 615 2HD LYS 615 -10.633 6.860 -3.476 242 HD3 LYS 615 1HD LYS 615 -9.405 6.740 -2.220 243 HE2 LYS 615 2HE LYS 615 -9.242 9.135 -2.120 244 HE3 LYS 615 1HE LYS 615 -10.422 9.326 -3.406 245 HZ1 LYS 615 3HZ LYS 615 -12.110 8.333 -1.900 246 HZ2 LYS 615 1HZ LYS 615 -11.287 9.603 -1.085 247 HZ3 LYS 615 2HZ LYS 615 -10.898 8.031 -0.774 248 H VAL 616 H VAL 616 -5.575 8.731 -0.700 249 HA VAL 616 HA VAL 616 -7.884 8.124 1.019 250 HB VAL 616 HB VAL 616 -5.013 8.321 1.966 251 HG13 VAL 616 1HG VAL 616 -7.509 7.529 3.447 252 HG21 VAL 616 2HG VAL 616 -5.111 5.896 2.425 253 H GLU 617 H GLU 617 -8.762 10.058 1.729 254 HA GLU 617 HA GLU 617 -6.852 12.209 2.043 255 HB2 GLU 617 2HB GLU 617 -8.502 13.942 1.372 256 HB3 GLU 617 1HB GLU 617 -8.043 12.875 0.066 257 HG2 GLU 617 2HG GLU 617 -10.602 12.621 1.622 258 HG3 GLU 617 1HG GLU 617 -10.441 13.528 0.120 259 H THR 618 H THR 618 -6.831 13.310 3.772 260 HA THR 618 HA THR 618 -8.915 12.768 5.746 261 HB THR 618 HB THR 618 -7.105 12.892 7.473 262 HG1 THR 618 1HG THR 618 -5.383 12.761 5.213 263 HG21 THR 618 2HG THR 618 -6.714 10.758 5.365 264 H ASP 619 H ASP 619 -8.392 14.478 7.642 265 HA ASP 619 HA ASP 619 -8.839 17.097 6.610 266 HB2 ASP 619 2HB ASP 619 -7.982 16.267 9.398 267 HB3 ASP 619 1HB ASP 619 -8.636 17.836 8.944 268 H LYS 620 H LYS 620 -6.116 15.237 7.286 269 HA LYS 620 HA LYS 620 -4.268 17.437 7.633 270 HB2 LYS 620 2HB LYS 620 -3.896 14.444 7.608 271 HB3 LYS 620 1HB LYS 620 -2.612 15.600 7.909 272 HG2 LYS 620 2HG LYS 620 -5.105 15.406 9.574 273 HG3 LYS 620 1HG LYS 620 -3.619 14.528 9.945 274 HD2 LYS 620 2HD LYS 620 -3.782 17.534 9.661 275 HD3 LYS 620 1HD LYS 620 -3.919 16.693 11.202 276 HE2 LYS 620 2HE LYS 620 -1.532 16.560 9.336 277 HE3 LYS 620 1HE LYS 620 -1.635 17.513 10.810 278 HZ1 LYS 620 3HZ LYS 620 -1.893 14.541 10.768 279 HZ2 LYS 620 1HZ LYS 620 -1.819 15.541 12.110 280 HZ3 LYS 620 2HZ LYS 620 -0.472 15.331 11.115 281 H TYR 621 H TYR 621 -4.182 14.512 5.581 282 HA TYR 621 HA TYR 621 -3.212 16.159 3.335 283 HB2 TYR 621 2HB TYR 621 -1.815 13.623 4.202 284 HB3 TYR 621 1HB TYR 621 -1.322 14.751 2.961 285 HD1 TYR 621 2HD TYR 621 -0.109 16.819 3.600 286 HD2 TYR 621 1HD TYR 621 -1.385 14.022 6.532 287 HE1 TYR 621 2HE TYR 621 1.414 17.850 5.256 288 HE2 TYR 621 1HE TYR 621 0.116 15.035 8.178 289 HH TYR 621 HH TYR 621 2.144 16.336 8.207 290 H GLU 622 H GLU 622 -3.184 14.873 1.355 291 HA GLU 622 HA GLU 622 -5.001 12.580 1.279 292 HB2 GLU 622 2HB GLU 622 -3.520 14.040 -0.904 293 HB3 GLU 622 1HB GLU 622 -4.536 12.641 -1.151 294 HG2 GLU 622 2HG GLU 622 -6.439 13.966 -0.354 295 HG3 GLU 622 1HG GLU 622 -5.365 15.377 -0.284 296 H PHE 623 H PHE 623 -4.148 10.624 1.183 297 HA PHE 623 HA PHE 623 -1.264 10.444 0.670 298 HB2 PHE 623 2HB PHE 623 -2.999 8.588 2.316 299 HB3 PHE 623 1HB PHE 623 -1.280 8.397 2.016 300 HD1 PHE 623 1HD PHE 623 0.338 9.882 3.074 301 HD2 PHE 623 2HD PHE 623 -3.821 10.176 3.921 302 HE1 PHE 623 1HE PHE 623 0.841 11.205 5.079 303 HE2 PHE 623 2HE PHE 623 -3.323 11.501 5.925 304 HZ PHE 623 HZ PHE 623 -0.986 12.015 6.507 305 H HIS 624 H HIS 624 -0.784 9.434 -1.152 306 HA HIS 624 HA HIS 624 -2.803 7.591 -2.158 307 HB2 HIS 624 2HB HIS 624 -0.957 9.417 -3.734 308 HB3 HIS 624 1HB HIS 624 -1.916 8.131 -4.464 309 HD1 HIS 624 1HD HIS 624 -4.312 8.717 -5.092 310 HD2 HIS 624 2HD HIS 624 -2.638 11.592 -2.570 311 HE1 HIS 624 1HE HIS 624 -6.000 10.535 -4.926 312 HE2 HIS 624 2HE HIS 624 -5.013 12.263 -3.401 313 H ILE 625 H ILE 625 -2.221 5.588 -2.252 314 HA ILE 625 HA ILE 625 0.647 4.936 -1.935 315 HB ILE 625 HB ILE 625 -1.632 3.580 -0.452 316 HG12 ILE 625 1HG ILE 625 0.296 5.693 0.574 317 HG23 ILE 625 2HG ILE 625 1.364 3.418 -0.073 318 HD11 ILE 625 1HD ILE 625 -1.882 4.231 2.050 319 H ASN 626 H ASN 626 1.198 2.816 -2.687 320 HA ASN 626 HA ASN 626 -0.851 1.341 -4.154 321 HB2 ASN 626 2HB ASN 626 0.702 2.878 -5.625 322 HB3 ASN 626 1HB ASN 626 1.928 1.669 -5.256 323 HD21 ASN 626 2HD ASN 626 0.023 0.949 -8.380 324 H VAL 627 H VAL 627 -0.227 -0.950 -4.299 325 HA VAL 627 HA VAL 627 1.174 -1.807 -1.941 326 HB VAL 627 HB VAL 627 0.118 -3.552 -4.214 327 HG13 VAL 627 1HG VAL 627 1.728 -4.702 -2.824 328 HG21 VAL 627 2HG VAL 627 -1.652 -2.184 -3.256 329 H CYS 628 H CYS 628 1.892 -1.477 -5.220 330 HA CYS 628 HA CYS 628 4.691 -2.199 -4.811 331 HB2 CYS 628 2HB CYS 628 3.037 -3.338 -7.062 332 HB3 CYS 628 1HB CYS 628 4.767 -3.526 -6.859 333 H GLY 629 H GLY 629 6.008 -0.961 -6.070 334 HA2 GLY 629 2HA GLY 629 6.674 0.340 -7.857 335 HA3 GLY 629 1HA GLY 629 5.084 0.097 -8.566 336 HA PRO 630 HA PRO 630 5.033 4.362 -7.075 337 HB2 PRO 630 2HB PRO 630 4.684 5.606 -9.378 338 HB3 PRO 630 1HB PRO 630 6.260 4.942 -8.931 339 HG2 PRO 630 2HG PRO 630 4.288 3.941 -10.907 340 HG3 PRO 630 1HG PRO 630 6.051 3.781 -10.899 341 HD2 PRO 630 2HD PRO 630 4.115 1.867 -10.033 342 HD3 PRO 630 1HD PRO 630 5.882 1.737 -9.930 343 H VAL 631 H VAL 631 3.405 6.025 -7.238 344 HA VAL 631 HA VAL 631 0.700 4.978 -7.735 345 HB VAL 631 HB VAL 631 -0.130 6.772 -6.279 346 HG13 VAL 631 1HG VAL 631 2.047 5.124 -5.063 347 HG21 VAL 631 2HG VAL 631 1.577 8.470 -6.700 348 H SER 632 H SER 632 -0.838 6.399 -8.707 349 HA SER 632 HA SER 632 0.433 8.379 -10.452 350 HB2 SER 632 2HB SER 632 -2.256 7.009 -10.655 351 HB3 SER 632 1HB SER 632 -1.556 8.099 -11.855 352 HG SER 632 HG SER 632 0.261 6.285 -11.416 353 H VAL 633 H VAL 633 0.069 10.471 -9.998 354 HA VAL 633 HA VAL 633 -2.391 11.447 -8.814 355 HB VAL 633 HB VAL 633 0.279 12.160 -7.575 356 HG13 VAL 633 1HG VAL 633 -1.353 13.872 -7.318 357 HG21 VAL 633 2HG VAL 633 -1.720 10.251 -6.368 358 H GLY 634 H GLY 634 -2.474 13.790 -9.214 359 HA2 GLY 634 2HA GLY 634 -0.902 14.609 -11.474 360 HA3 GLY 634 1HA GLY 634 -2.125 15.565 -10.638 361 H ALA 635 H ALA 635 -1.170 15.608 -8.079 362 HA ALA 635 HA ALA 635 0.883 17.577 -8.333 363 HB1 ALA 635 1HB ALA 635 0.553 17.960 -5.962 364 HB2 ALA 635 2HB ALA 635 -0.415 16.492 -5.839 365 HB3 ALA 635 3HB ALA 635 -1.002 17.857 -6.787 366 H CYS 636 H CYS 636 1.165 14.303 -8.212 367 HA CYS 636 HA CYS 636 3.765 14.495 -6.853 368 HB2 CYS 636 2HB CYS 636 1.943 12.070 -6.770 369 HB3 CYS 636 1HB CYS 636 3.523 12.222 -6.063 370 HA PRO 637 HA PRO 637 5.306 12.771 -10.606 371 HB2 PRO 637 2HB PRO 637 7.679 11.772 -9.698 372 HB3 PRO 637 1HB PRO 637 7.399 13.492 -9.984 373 HG2 PRO 637 2HG PRO 637 7.333 11.962 -7.422 374 HG3 PRO 637 1HG PRO 637 8.015 13.565 -7.751 375 HD2 PRO 637 2HD PRO 637 5.607 13.201 -6.561 376 HD3 PRO 637 1HD PRO 637 5.974 14.603 -7.585 377 HA PRO 638 HA PRO 638 3.892 8.471 -10.224 378 HB2 PRO 638 2HB PRO 638 4.975 8.188 -12.956 379 HB3 PRO 638 1HB PRO 638 3.316 7.998 -12.388 380 HG2 PRO 638 2HG PRO 638 3.997 10.100 -13.853 381 HG3 PRO 638 1HG PRO 638 2.884 10.275 -12.487 382 HD2 PRO 638 2HD PRO 638 5.813 10.888 -12.617 383 HD3 PRO 638 1HD PRO 638 4.460 11.865 -11.984 384 H ASP 639 H ASP 639 6.582 9.009 -9.245 385 HA ASP 639 HA ASP 639 7.726 6.381 -9.898 386 HB2 ASP 639 2HB ASP 639 9.996 7.214 -9.500 387 HB3 ASP 639 1HB ASP 639 9.234 8.023 -10.860 388 H SER 640 H SER 640 6.301 8.150 -7.576 389 HA SER 640 HA SER 640 7.764 6.678 -5.525 390 HB2 SER 640 2HB SER 640 6.690 8.222 -3.909 391 HB3 SER 640 1HB SER 640 7.762 9.024 -5.061 392 HG SER 640 HG SER 640 5.120 8.836 -5.849 393 H GLY 641 H GLY 641 6.685 5.314 -4.124 394 HA2 GLY 641 2HA GLY 641 4.120 4.485 -5.188 395 HA3 GLY 641 1HA GLY 641 5.127 3.530 -4.127 396 H ALA 642 H ALA 642 5.185 6.492 -2.826 397 HA ALA 642 HA ALA 642 2.521 6.570 -1.691 398 HB1 ALA 642 1HB ALA 642 3.384 6.723 0.603 399 HB2 ALA 642 2HB ALA 642 5.016 6.420 0.008 400 HB3 ALA 642 3HB ALA 642 3.783 5.165 -0.125 401 H CYS 643 H CYS 643 1.881 8.633 -1.785 402 HA CYS 643 HA CYS 643 3.776 10.784 -1.275 403 HB2 CYS 643 2HB CYS 643 3.804 10.442 -3.734 404 HB3 CYS 643 1HB CYS 643 2.076 10.731 -3.763 405 H GLN 644 H GLN 644 2.896 12.542 -0.314 406 HA GLN 644 HA GLN 644 0.013 12.393 0.122 407 HB2 GLN 644 2HB GLN 644 0.340 13.468 2.277 408 HB3 GLN 644 1HB GLN 644 1.198 11.940 2.228 409 HG2 GLN 644 2HG GLN 644 3.286 13.268 1.771 410 HG3 GLN 644 1HG GLN 644 2.298 14.710 1.970 411 HE21 GLN 644 2HE GLN 644 3.997 13.665 5.160 412 H VAL 645 H VAL 645 -1.139 14.119 -0.147 413 HA VAL 645 HA VAL 645 0.223 16.611 -0.922 414 HB VAL 645 HB VAL 645 -2.555 15.706 -1.765 415 HG13 VAL 645 1HG VAL 645 -2.334 18.118 -1.652 416 HG21 VAL 645 2HG VAL 645 -1.618 15.390 -4.022 417 H SER 646 H SER 646 -0.025 18.084 0.584 418 HA SER 646 HA SER 646 -1.716 17.719 2.829 419 HB2 SER 646 2HB SER 646 0.385 18.967 3.003 420 HB3 SER 646 1HB SER 646 -0.229 20.173 1.878 421 HG SER 646 HG SER 646 -0.365 20.512 4.277 422 H ARG 647 H ARG 647 -3.551 18.783 3.382 423 HA ARG 647 HA ARG 647 -4.891 20.028 1.104 424 HB2 ARG 647 2HB ARG 647 -6.151 18.749 3.535 425 HB3 ARG 647 1HB ARG 647 -7.011 19.394 2.140 426 HG2 ARG 647 2HG ARG 647 -5.885 17.727 0.708 427 HG3 ARG 647 1HG ARG 647 -5.114 17.052 2.139 428 HD2 ARG 647 2HD ARG 647 -7.012 15.709 1.603 429 HD3 ARG 647 1HD ARG 647 -7.380 16.618 3.064 430 HE ARG 647 HE ARG 647 -8.237 17.899 0.654 431 HH12 ARG 647 1HH ARG 647 -10.822 15.671 2.845 432 HH21 ARG 647 2HH ARG 647 -11.614 17.041 1.049 433 H SER 648 H SER 648 -3.798 20.503 4.381 434 HA SER 648 HA SER 648 -5.285 22.916 4.692 435 HB2 SER 648 2HB SER 648 -3.892 23.037 6.807 436 HB3 SER 648 1HB SER 648 -4.936 21.624 6.650 437 HG SER 648 HG SER 648 -2.300 21.700 6.960 438 H ASP 649 H ASP 649 -1.885 22.023 4.070 439 HA ASP 649 HA ASP 649 -1.431 24.842 3.384 440 HB2 ASP 649 2HB ASP 649 0.997 24.477 3.636 441 HB3 ASP 649 1HB ASP 649 0.129 24.097 5.112 442 H ARG 650 H ARG 650 -2.089 22.010 1.981 443 HA ARG 650 HA ARG 650 -2.052 21.143 -0.037 444 HB2 ARG 650 2HB ARG 650 -2.059 24.049 -0.672 445 HB3 ARG 650 1HB ARG 650 -2.358 22.782 -1.870 446 HG2 ARG 650 2HG ARG 650 -4.244 21.977 -0.671 447 HG3 ARG 650 1HG ARG 650 -3.888 23.032 0.694 448 HD2 ARG 650 2HD ARG 650 -4.579 23.922 -2.066 449 HD3 ARG 650 1HD ARG 650 -5.694 23.815 -0.674 450 HE ARG 650 HE ARG 650 -3.528 25.336 0.098 451 HH12 ARG 650 1HH ARG 650 -6.244 27.342 -2.106 452 HH21 ARG 650 2HH ARG 650 -4.794 28.495 -0.622 453 H LYS 651 H LYS 651 0.751 21.560 1.040 454 HA LYS 651 HA LYS 651 2.144 21.554 -1.496 455 HB2 LYS 651 2HB LYS 651 3.130 21.064 1.302 456 HB3 LYS 651 1HB LYS 651 4.139 20.944 -0.131 457 HG2 LYS 651 2HG LYS 651 3.699 23.297 -0.619 458 HG3 LYS 651 1HG LYS 651 2.706 23.388 0.840 459 HD2 LYS 651 2HD LYS 651 4.936 24.247 1.317 460 HD3 LYS 651 1HD LYS 651 4.622 22.720 2.165 461 HE2 LYS 651 2HE LYS 651 5.931 21.496 0.534 462 HE3 LYS 651 1HE LYS 651 6.191 22.968 -0.401 463 HZ1 LYS 651 3HZ LYS 651 7.453 23.863 1.439 464 HZ2 LYS 651 1HZ LYS 651 8.097 22.391 0.975 465 HZ3 LYS 651 2HZ LYS 651 7.165 22.504 2.373 466 H SER 652 H SER 652 3.846 19.617 -1.532 467 HA SER 652 HA SER 652 2.444 17.151 -0.908 468 HB2 SER 652 2HB SER 652 2.897 16.320 -3.255 469 HB3 SER 652 1HB SER 652 1.661 17.572 -3.135 470 HG SER 652 HG SER 652 3.079 19.056 -3.861 471 H TRP 653 H TRP 653 3.759 15.396 -0.603 472 HA TRP 653 HA TRP 653 6.648 15.717 -0.997 473 HB2 TRP 653 2HB TRP 653 5.426 14.908 1.648 474 HB3 TRP 653 1HB TRP 653 7.140 14.979 1.276 475 HD1 TRP 653 HD TRP 653 8.246 17.475 1.197 476 HE1 TRP 653 1HE TRP 653 7.484 19.669 2.296 477 HE3 TRP 653 3HE TRP 653 3.447 16.195 2.217 478 HZ2 TRP 653 2HZ TRP 653 5.080 20.713 3.462 479 HZ3 TRP 653 3HZ TRP 653 1.984 17.794 3.303 480 HH2 TRP 653 HH TRP 653 2.779 20.026 3.917 481 H ASN 654 H ASN 654 7.701 13.727 -1.112 482 HA ASN 654 HA ASN 654 5.990 11.441 -1.688 483 HB2 ASN 654 2HB ASN 654 9.021 11.670 -1.673 484 HB3 ASN 654 1HB ASN 654 8.093 10.330 -2.316 485 HD21 ASN 654 2HD ASN 654 7.523 11.868 -5.378 486 H LEU 655 H LEU 655 5.790 9.717 -0.219 487 HA LEU 655 HA LEU 655 7.402 10.066 2.210 488 HB2 LEU 655 2HB LEU 655 4.958 8.316 2.022 489 HB3 LEU 655 1HB LEU 655 5.849 8.767 3.449 490 HG LEU 655 HG LEU 655 5.010 11.158 2.973 491 HD13 LEU 655 1HD LEU 655 3.154 9.557 1.357 492 HD21 LEU 655 2HD LEU 655 3.120 8.970 3.735 493 H GLY 656 H GLY 656 7.546 8.611 -0.507 494 HA2 GLY 656 2HA GLY 656 9.565 6.962 0.103 495 HA3 GLY 656 1HA GLY 656 8.128 5.968 0.288 496 H ARG 657 H ARG 657 10.441 6.342 -1.689 497 HA ARG 657 HA ARG 657 8.997 6.894 -4.101 498 HB2 ARG 657 2HB ARG 657 11.356 7.673 -3.632 499 HB3 ARG 657 1HB ARG 657 11.888 6.006 -3.888 500 HG2 ARG 657 2HG ARG 657 11.025 6.089 -6.158 501 HG3 ARG 657 1HG ARG 657 10.435 7.725 -5.882 502 HD2 ARG 657 2HD ARG 657 12.807 8.379 -5.396 503 HD3 ARG 657 1HD ARG 657 13.290 6.781 -5.967 504 HE ARG 657 HE ARG 657 11.606 8.358 -7.714 505 HH12 ARG 657 1HH ARG 657 15.537 7.704 -8.468 506 HH21 ARG 657 2HH ARG 657 14.158 8.663 -10.114 507 H SER 658 H SER 658 8.943 5.199 -5.906 508 HA SER 658 HA SER 658 7.561 3.035 -5.127 509 HB2 SER 658 2HB SER 658 8.003 2.099 -7.345 510 HB3 SER 658 1HB SER 658 7.434 3.758 -7.293 511 HG SER 658 HG SER 658 10.182 3.000 -7.563 512 H ASN 659 H ASN 659 7.745 0.919 -4.734 513 HA ASN 659 HA ASN 659 10.245 -0.433 -4.670 514 HB2 ASN 659 2HB ASN 659 10.342 0.844 -2.667 515 HB3 ASN 659 1HB ASN 659 8.645 0.534 -2.321 516 HD21 ASN 659 2HD ASN 659 9.678 -1.790 -0.144 517 H ALA 660 H ALA 660 9.709 -2.711 -4.238 518 HA ALA 660 HA ALA 660 6.838 -3.341 -4.193 519 HB1 ALA 660 1HB ALA 660 8.874 -4.800 -5.889 520 HB2 ALA 660 2HB ALA 660 7.687 -3.641 -6.491 521 HB3 ALA 660 3HB ALA 660 7.152 -5.159 -5.774 522 H LYS 661 H LYS 661 9.424 -3.448 -2.335 523 HA LYS 661 HA LYS 661 9.237 -6.213 -1.589 524 HB2 LYS 661 2HB LYS 661 10.833 -4.017 -0.269 525 HB3 LYS 661 1HB LYS 661 10.721 -5.640 0.372 526 HG2 LYS 661 2HG LYS 661 12.657 -5.891 -0.773 527 HG3 LYS 661 1HG LYS 661 11.553 -6.227 -2.096 528 HD2 LYS 661 2HD LYS 661 13.183 -4.729 -2.921 529 HD3 LYS 661 1HD LYS 661 11.710 -3.790 -2.675 530 HE2 LYS 661 2HE LYS 661 13.688 -2.586 -1.866 531 HE3 LYS 661 1HE LYS 661 12.565 -2.935 -0.554 532 HZ1 LYS 661 3HZ LYS 661 15.017 -4.492 -1.185 533 HZ2 LYS 661 1HZ LYS 661 14.020 -4.785 0.140 534 HZ3 LYS 661 2HZ LYS 661 14.899 -3.363 0.041 535 H LEU 662 H LEU 662 7.687 -7.019 -0.646 536 HA LEU 662 HA LEU 662 6.144 -5.564 1.315 537 HB2 LEU 662 2HB LEU 662 6.053 -8.422 0.338 538 HB3 LEU 662 1HB LEU 662 4.958 -7.799 1.575 539 HG LEU 662 HG LEU 662 5.108 -7.136 -1.358 540 HD13 LEU 662 1HD LEU 662 4.025 -9.230 -0.821 541 HD21 LEU 662 2HD LEU 662 3.220 -5.642 -0.995 542 H SER 663 H SER 663 6.053 -6.220 3.484 543 HA SER 663 HA SER 663 8.360 -7.784 4.371 544 HB2 SER 663 2HB SER 663 7.215 -5.295 5.640 545 HB3 SER 663 1HB SER 663 8.568 -6.248 6.261 546 HG SER 663 HG SER 663 8.879 -5.557 3.657 547 H TYR 664 H TYR 664 7.991 -8.625 6.618 548 HA TYR 664 HA TYR 664 5.147 -9.080 7.142 549 HB2 TYR 664 2HB TYR 664 6.523 -11.013 5.998 550 HB3 TYR 664 1HB TYR 664 7.229 -11.171 7.596 551 HD1 TYR 664 2HD TYR 664 3.933 -11.031 5.911 552 HD2 TYR 664 1HD TYR 664 6.171 -12.615 9.187 553 HE1 TYR 664 2HE TYR 664 2.059 -12.425 6.497 554 HE2 TYR 664 1HE TYR 664 4.312 -14.038 9.766 555 HH TYR 664 HH TYR 664 1.637 -14.541 7.724 556 H TYR 665 H TYR 665 4.711 -8.508 9.087 557 HA TYR 665 HA TYR 665 6.815 -8.076 11.074 558 HB2 TYR 665 2HB TYR 665 5.056 -6.318 10.446 559 HB3 TYR 665 1HB TYR 665 3.852 -7.388 11.133 560 HD1 TYR 665 1HD TYR 665 6.993 -5.581 12.004 561 HD2 TYR 665 2HD TYR 665 3.267 -7.109 13.382 562 HE1 TYR 665 1HE TYR 665 7.338 -4.465 14.180 563 HE2 TYR 665 2HE TYR 665 3.607 -6.014 15.549 564 HH TYR 665 HH TYR 665 5.487 -5.219 16.893 565 H ASP 666 H ASP 666 5.209 -8.604 13.359 566 HA ASP 666 HA ASP 666 5.223 -11.390 13.544 567 HB2 ASP 666 2HB ASP 666 5.355 -9.963 15.535 568 HB3 ASP 666 1HB ASP 666 3.710 -9.401 15.258 569 H GLY 667 H GLY 667 4.176 -12.250 11.892 570 HA2 GLY 667 2HA GLY 667 2.529 -13.306 10.800 571 HA3 GLY 667 1HA GLY 667 1.565 -13.126 12.229 572 H MET 668 H MET 668 2.748 -10.359 10.446 573 HA MET 668 HA MET 668 0.204 -10.074 9.022 574 HB2 MET 668 2HB MET 668 1.384 -7.922 10.798 575 HB3 MET 668 1HB MET 668 0.102 -7.636 9.636 576 HG2 MET 668 2HG MET 668 -1.339 -9.200 10.891 577 HG3 MET 668 1HG MET 668 -0.046 -9.417 12.067 578 HE1 MET 668 3HE MET 668 0.201 -5.815 13.646 579 HE2 MET 668 1HE MET 668 1.130 -6.410 12.275 580 HE3 MET 668 2HE MET 668 0.843 -7.456 13.668 581 H ILE 669 H ILE 669 0.407 -9.037 7.061 582 HA ILE 669 HA ILE 669 3.118 -8.745 6.144 583 HB ILE 669 HB ILE 669 0.514 -8.327 4.636 584 HG12 ILE 669 1HG ILE 669 1.292 -10.317 3.306 585 HG23 ILE 669 2HG ILE 669 3.323 -8.369 3.527 586 HD11 ILE 669 1HD ILE 669 0.463 -12.019 4.766 587 H GLN 670 H GLN 670 4.118 -6.900 5.585 588 HA GLN 670 HA GLN 670 2.700 -4.394 6.031 589 HB2 GLN 670 2HB GLN 670 5.481 -5.094 6.937 590 HB3 GLN 670 1HB GLN 670 4.850 -3.450 6.877 591 HG2 GLN 670 2HG GLN 670 3.034 -4.121 8.368 592 HG3 GLN 670 1HG GLN 670 3.766 -5.719 8.500 593 HE21 GLN 670 2HE GLN 670 4.770 -3.293 11.164 594 H LEU 671 H LEU 671 3.795 -2.594 4.951 595 HA LEU 671 HA LEU 671 5.405 -3.304 2.597 596 HB2 LEU 671 2HB LEU 671 3.080 -3.147 1.821 597 HB3 LEU 671 1HB LEU 671 2.893 -1.616 2.635 598 HG LEU 671 HG LEU 671 4.430 -0.578 0.990 599 HD13 LEU 671 1HD LEU 671 4.951 -1.784 -1.064 600 HD21 LEU 671 2HD LEU 671 2.902 -0.713 -0.907 601 H THR 672 H THR 672 7.117 -2.020 2.602 602 HA THR 672 HA THR 672 6.915 0.433 4.219 603 HB THR 672 HB THR 672 9.350 -1.333 3.963 604 HG1 THR 672 1HG THR 672 7.143 -1.425 5.560 605 HG21 THR 672 2HG THR 672 8.737 1.004 5.791 606 H TYR 673 H TYR 673 7.073 2.114 2.963 607 HA TYR 673 HA TYR 673 8.861 2.002 0.657 608 HB2 TYR 673 2HB TYR 673 6.660 3.969 1.307 609 HB3 TYR 673 1HB TYR 673 7.878 4.190 0.053 610 HD1 TYR 673 1HD TYR 673 8.087 2.602 -1.759 611 HD2 TYR 673 2HD TYR 673 4.774 2.585 0.873 612 HE1 TYR 673 1HE TYR 673 6.828 1.399 -3.413 613 HE2 TYR 673 2HE TYR 673 3.467 1.332 -0.779 614 HH TYR 673 HH TYR 673 3.423 0.770 -3.050 615 H ARG 674 H ARG 674 10.686 3.094 0.637 616 HA ARG 674 HA ARG 674 11.269 4.926 2.853 617 HB2 ARG 674 2HB ARG 674 13.096 3.081 1.308 618 HB3 ARG 674 1HB ARG 674 13.644 4.248 2.495 619 HG2 ARG 674 2HG ARG 674 12.461 3.060 4.247 620 HG3 ARG 674 1HG ARG 674 11.813 1.924 3.057 621 HD2 ARG 674 2HD ARG 674 13.728 0.959 4.214 622 HD3 ARG 674 1HD ARG 674 14.062 1.212 2.503 623 HE ARG 674 HE ARG 674 14.912 3.295 4.325 624 HH12 ARG 674 1HH ARG 674 17.499 0.765 2.467 625 HH21 ARG 674 2HH ARG 674 18.318 2.650 3.618 626 H ASP 675 H ASP 675 13.271 6.303 2.090 627 HA ASP 675 HA ASP 675 14.191 7.846 0.724 628 HB2 ASP 675 2HB ASP 675 13.063 6.087 -1.445 629 HB3 ASP 675 1HB ASP 675 13.923 7.576 -1.814 630 H GLY 676 H GLY 676 11.414 8.061 1.743 631 HA2 GLY 676 2HA GLY 676 9.969 9.732 -0.003 632 HA3 GLY 676 1HA GLY 676 9.855 9.686 1.758 633 H THR 677 H THR 677 9.578 12.098 0.639 634 HA THR 677 HA THR 677 12.019 13.516 0.365 635 HB THR 677 HB THR 677 9.263 14.579 1.068 636 HG1 THR 677 1HG THR 677 10.422 13.791 -1.407 637 HG21 THR 677 2HG THR 677 10.036 16.615 -0.091 638 HA PRO 678 HA PRO 678 12.776 13.465 4.799 639 HB2 PRO 678 2HB PRO 678 14.873 15.211 4.814 640 HB3 PRO 678 1HB PRO 678 15.024 13.520 4.326 641 HG2 PRO 678 2HG PRO 678 14.759 15.963 2.625 642 HG3 PRO 678 1HG PRO 678 15.812 14.552 2.400 643 HD2 PRO 678 2HD PRO 678 13.516 14.877 1.023 644 HD3 PRO 678 1HD PRO 678 14.118 13.275 1.499 645 H TYR 679 H TYR 679 12.209 14.728 6.558 646 HA TYR 679 HA TYR 679 11.823 17.461 5.917 647 HB2 TYR 679 2HB TYR 679 9.899 17.694 7.514 648 HB3 TYR 679 1HB TYR 679 9.609 16.812 6.042 649 HD1 TYR 679 1HD TYR 679 9.274 14.460 6.148 650 HD2 TYR 679 2HD TYR 679 9.623 16.761 9.603 651 HE1 TYR 679 1HE TYR 679 8.008 12.697 7.381 652 HE2 TYR 679 2HE TYR 679 8.405 15.042 10.924 653 HH TYR 679 HH TYR 679 6.816 13.271 10.509 654 H ASN 680 H ASN 680 11.259 18.599 8.319 655 HA ASN 680 HA ASN 680 13.864 19.121 9.067 656 HB2 ASN 680 2HB ASN 680 12.126 20.784 9.319 657 HB3 ASN 680 1HB ASN 680 11.377 19.836 10.602 658 HD21 ASN 680 2HD ASN 680 13.140 21.899 12.786 659 H ASN 681 H ASN 681 14.803 17.244 9.531 660 HA ASN 681 HA ASN 681 14.867 16.670 12.404 661 HB2 ASN 681 2HB ASN 681 15.341 14.665 10.141 662 HB3 ASN 681 1HB ASN 681 15.767 14.374 11.813 663 HD21 ASN 681 2HD ASN 681 12.817 12.550 12.002 664 H GLU 682 H GLU 682 17.036 16.641 13.137 665 HA GLU 682 HA GLU 682 18.766 18.313 11.705 666 HB2 GLU 682 2HB GLU 682 19.328 16.499 14.033 667 HB3 GLU 682 1HB GLU 682 20.487 17.659 13.399 668 HG2 GLU 682 2HG GLU 682 18.925 19.475 13.888 669 HG3 GLU 682 1HG GLU 682 17.772 18.306 14.531 670 H LYS 683 H LYS 683 18.670 14.849 11.878 671 HA LYS 683 HA LYS 683 21.151 14.394 10.519 672 HB2 LYS 683 2HB LYS 683 20.138 12.798 12.084 673 HB3 LYS 683 1HB LYS 683 18.777 12.598 10.995 674 HG2 LYS 683 2HG LYS 683 20.311 11.625 9.317 675 HG3 LYS 683 1HG LYS 683 21.631 11.781 10.477 676 HD2 LYS 683 2HD LYS 683 19.121 10.150 10.885 677 HD3 LYS 683 1HD LYS 683 20.704 9.506 10.458 678 HE2 LYS 683 2HE LYS 683 20.044 11.005 13.009 679 HE3 LYS 683 1HE LYS 683 20.211 9.266 12.859 680 HZ1 LYS 683 3HZ LYS 683 22.396 11.234 12.347 681 HZ2 LYS 683 1HZ LYS 683 22.509 9.563 12.220 682 HZ3 LYS 683 2HZ LYS 683 22.241 10.267 13.718 683 H ARG 684 H ARG 684 17.999 15.254 9.511 684 HA ARG 684 HA ARG 684 16.812 15.195 7.624 685 HB2 ARG 684 2HB ARG 684 19.565 15.387 6.477 686 HB3 ARG 684 1HB ARG 684 18.207 15.170 5.394 687 HG2 ARG 684 2HG ARG 684 18.757 17.529 5.505 688 HG3 ARG 684 1HG ARG 684 17.202 17.195 6.273 689 HD2 ARG 684 2HD ARG 684 18.153 17.435 8.456 690 HD3 ARG 684 1HD ARG 684 19.782 17.560 7.790 691 HE ARG 684 HE ARG 684 18.958 19.623 6.658 692 HH12 ARG 684 1HH ARG 684 17.054 20.233 10.176 693 HH21 ARG 684 2HH ARG 684 17.607 22.043 8.813 694 H THR 685 H THR 685 15.818 13.412 7.958 695 HA THR 685 HA THR 685 16.862 11.052 6.594 696 HB THR 685 HB THR 685 16.633 10.712 9.059 697 HG1 THR 685 1HG THR 685 14.613 9.153 7.816 698 HG21 THR 685 2HG THR 685 13.675 11.130 8.578 699 HA PRO 686 HA PRO 686 13.366 11.503 3.813 700 HB2 PRO 686 2HB PRO 686 13.746 8.583 3.449 701 HB3 PRO 686 1HB PRO 686 13.747 9.875 2.244 702 HG2 PRO 686 2HG PRO 686 16.004 8.673 2.947 703 HG3 PRO 686 1HG PRO 686 15.950 10.416 2.623 704 HD2 PRO 686 2HD PRO 686 16.024 8.980 5.246 705 HD3 PRO 686 1HD PRO 686 16.862 10.466 4.727 706 H ARG 687 H ARG 687 11.233 11.310 4.257 707 HA ARG 687 HA ARG 687 10.437 9.894 6.602 708 HB2 ARG 687 2HB ARG 687 8.273 10.806 6.283 709 HB3 ARG 687 1HB ARG 687 9.385 12.056 5.759 710 HG2 ARG 687 2HG ARG 687 8.966 11.262 3.403 711 HG3 ARG 687 1HG ARG 687 7.696 10.244 4.103 712 HD2 ARG 687 2HD ARG 687 6.664 12.237 3.302 713 HD3 ARG 687 1HD ARG 687 6.669 12.338 5.066 714 HE ARG 687 HE ARG 687 8.890 13.527 3.678 715 HH12 ARG 687 1HH ARG 687 6.075 15.859 5.406 716 HH21 ARG 687 2HH ARG 687 7.968 16.810 4.437 717 H ALA 688 H ALA 688 8.759 8.203 6.597 718 HA ALA 688 HA ALA 688 9.038 6.490 4.231 719 HB1 ALA 688 1HB ALA 688 10.685 5.796 5.902 720 HB2 ALA 688 2HB ALA 688 9.452 4.559 5.650 721 HB3 ALA 688 3HB ALA 688 9.392 5.585 7.083 722 H THR 689 H THR 689 7.468 4.865 4.037 723 HA THR 689 HA THR 689 4.934 5.404 5.482 724 HB THR 689 HB THR 689 5.226 4.320 2.679 725 HG1 THR 689 1HG THR 689 5.965 6.527 3.070 726 HG21 THR 689 2HG THR 689 3.122 3.788 3.823 727 H LEU 690 H LEU 690 4.222 3.567 6.631 728 HA LEU 690 HA LEU 690 5.039 1.108 5.468 729 HB2 LEU 690 2HB LEU 690 6.484 1.608 7.385 730 HB3 LEU 690 1HB LEU 690 5.078 1.794 8.412 731 HG LEU 690 HG LEU 690 5.657 -0.763 7.004 732 HD13 LEU 690 1HD LEU 690 7.645 -0.188 8.333 733 HD21 LEU 690 2HD LEU 690 4.179 -0.116 9.541 734 H ILE 691 H ILE 691 3.366 0.062 4.909 735 HA ILE 691 HA ILE 691 0.751 0.620 6.089 736 HB ILE 691 HB ILE 691 1.408 -1.146 3.703 737 HG12 ILE 691 1HG ILE 691 0.308 0.536 2.304 738 HG23 ILE 691 2HG ILE 691 -0.951 -1.118 3.226 739 HD11 ILE 691 1HD ILE 691 2.086 2.207 2.126 740 H THR 692 H THR 692 -0.230 -0.878 7.351 741 HA THR 692 HA THR 692 1.061 -3.497 7.570 742 HB THR 692 HB THR 692 -0.695 -2.059 9.605 743 HG1 THR 692 1HG THR 692 1.777 -1.581 8.870 744 HG21 THR 692 2HG THR 692 -0.583 -4.533 9.855 745 H PHE 693 H PHE 693 -0.145 -5.104 6.695 746 HA PHE 693 HA PHE 693 -2.849 -4.457 5.853 747 HB2 PHE 693 2HB PHE 693 -1.137 -6.870 5.184 748 HB3 PHE 693 1HB PHE 693 -2.687 -6.468 4.464 749 HD1 PHE 693 2HD PHE 693 -2.865 -4.512 2.980 750 HD2 PHE 693 1HD PHE 693 0.836 -5.882 4.462 751 HE1 PHE 693 2HE PHE 693 -1.659 -3.160 1.241 752 HE2 PHE 693 1HE PHE 693 2.037 -4.573 2.759 753 HZ PHE 693 HZ PHE 693 0.772 -3.215 1.144 754 H LEU 694 H LEU 694 -4.417 -4.950 7.134 755 HA LEU 694 HA LEU 694 -4.185 -7.373 8.744 756 HB2 LEU 694 2HB LEU 694 -6.008 -4.982 9.185 757 HB3 LEU 694 1HB LEU 694 -6.068 -6.452 10.122 758 HG LEU 694 HG LEU 694 -3.686 -5.927 10.859 759 HD13 LEU 694 1HD LEU 694 -2.960 -3.603 10.759 760 HD21 LEU 694 2HD LEU 694 -4.389 -4.354 12.563 761 H CYS 695 H CYS 695 -6.155 -8.692 8.850 762 HA CYS 695 HA CYS 695 -7.438 -8.508 6.231 763 HB2 CYS 695 2HB CYS 695 -7.527 -11.008 6.245 764 HB3 CYS 695 1HB CYS 695 -6.002 -10.422 6.733 765 H ASP 696 H ASP 696 -8.135 -7.275 8.825 766 HA ASP 696 HA ASP 696 -10.700 -8.256 9.634 767 HB2 ASP 696 2HB ASP 696 -9.398 -6.922 11.191 768 HB3 ASP 696 1HB ASP 696 -9.304 -5.587 10.064 769 H ARG 697 H ARG 697 -12.720 -7.481 9.060 770 HA ARG 697 HA ARG 697 -14.355 -6.578 7.857 771 HB2 ARG 697 2HB ARG 697 -13.250 -4.374 8.038 772 HB3 ARG 697 1HB ARG 697 -12.241 -4.755 6.655 773 HG2 ARG 697 2HG ARG 697 -14.208 -4.763 5.224 774 HG3 ARG 697 1HG ARG 697 -15.231 -4.423 6.621 775 HD2 ARG 697 2HD ARG 697 -14.047 -2.313 6.988 776 HD3 ARG 697 1HD ARG 697 -13.008 -2.652 5.606 777 HE ARG 697 HE ARG 697 -15.509 -2.785 4.585 778 HH12 ARG 697 1HH ARG 697 -14.593 1.026 5.673 779 HH21 ARG 697 2HH ARG 697 -16.298 0.600 4.051 780 H ASP 698 H ASP 698 -15.037 -8.191 6.807 781 HA ASP 698 HA ASP 698 -13.557 -9.419 4.662 782 HB2 ASP 698 2HB ASP 698 -16.176 -10.172 5.956 783 HB3 ASP 698 1HB ASP 698 -15.486 -11.051 4.599 784 H ALA 699 H ALA 699 -13.916 -9.425 2.622 785 HA ALA 699 HA ALA 699 -14.724 -9.093 0.608 786 HB1 ALA 699 1HB ALA 699 -17.271 -7.936 1.772 787 HB2 ALA 699 2HB ALA 699 -17.029 -9.637 1.382 788 HB3 ALA 699 3HB ALA 699 -17.013 -8.428 0.096 789 H GLY 700 H GLY 700 -13.135 -7.840 0.138 790 HA2 GLY 700 2HA GLY 700 -13.583 -5.346 -0.854 791 HA3 GLY 700 1HA GLY 700 -13.006 -5.104 0.792 792 H VAL 701 H VAL 701 -11.781 -4.552 -1.821 793 HA VAL 701 HA VAL 701 -9.662 -6.385 -2.270 794 HB VAL 701 HB VAL 701 -9.760 -3.451 -3.033 795 HG13 VAL 701 1HG VAL 701 -8.138 -5.719 -4.168 796 HG21 VAL 701 2HG VAL 701 -10.653 -5.844 -4.626 797 H GLY 702 H GLY 702 -10.070 -3.572 -0.310 798 HA2 GLY 702 2HA GLY 702 -8.645 -3.664 1.749 799 HA3 GLY 702 1HA GLY 702 -7.330 -3.915 0.592 800 H PHE 703 H PHE 703 -8.774 -1.661 2.423 801 HA PHE 703 HA PHE 703 -7.849 0.389 0.562 802 HB2 PHE 703 2HB PHE 703 -10.321 0.401 1.047 803 HB3 PHE 703 1HB PHE 703 -9.930 0.743 2.725 804 HD1 PHE 703 2HD PHE 703 -9.327 1.993 -0.692 805 HD2 PHE 703 1HD PHE 703 -9.760 2.938 3.425 806 HE1 PHE 703 2HE PHE 703 -9.226 4.363 -1.236 807 HE2 PHE 703 1HE PHE 703 -9.659 5.332 2.883 808 HZ PHE 703 HZ PHE 703 -9.380 6.029 0.506 809 HA PRO 704 HA PRO 704 -4.914 1.208 3.867 810 HB2 PRO 704 2HB PRO 704 -3.807 3.442 2.797 811 HB3 PRO 704 1HB PRO 704 -3.391 1.823 2.232 812 HG2 PRO 704 2HG PRO 704 -5.210 3.845 1.014 813 HG3 PRO 704 1HG PRO 704 -4.099 2.713 0.226 814 HD2 PRO 704 2HD PRO 704 -6.809 2.331 0.411 815 HD3 PRO 704 1HD PRO 704 -5.631 1.013 0.251 816 H GLU 705 H GLU 705 -5.229 2.342 5.702 817 HA GLU 705 HA GLU 705 -6.622 4.867 5.465 818 HB2 GLU 705 2HB GLU 705 -7.236 2.650 7.381 819 HB3 GLU 705 1HB GLU 705 -7.853 4.287 7.606 820 HG2 GLU 705 2HG GLU 705 -8.928 4.126 5.322 821 HG3 GLU 705 1HG GLU 705 -8.408 2.464 5.249 822 H TYR 706 H TYR 706 -6.019 6.441 6.693 823 HA TYR 706 HA TYR 706 -3.342 6.407 7.744 824 HB2 TYR 706 2HB TYR 706 -4.157 8.257 6.420 825 HB3 TYR 706 1HB TYR 706 -5.483 8.515 7.539 826 HD1 TYR 706 1HD TYR 706 -1.748 8.307 7.667 827 HD2 TYR 706 2HD TYR 706 -5.269 10.322 8.919 828 HE1 TYR 706 1HE TYR 706 -0.384 9.919 8.864 829 HE2 TYR 706 2HE TYR 706 -3.926 11.961 10.132 830 HH TYR 706 HH TYR 706 -1.710 12.143 11.127 831 H GLN 707 H GLN 707 -2.967 5.554 9.689 832 HA GLN 707 HA GLN 707 -5.005 5.694 11.699 833 HB2 GLN 707 2HB GLN 707 -3.608 4.258 13.088 834 HB3 GLN 707 1HB GLN 707 -3.519 3.663 11.450 835 HG2 GLN 707 2HG GLN 707 -1.356 3.442 12.223 836 HG3 GLN 707 1HG GLN 707 -1.285 4.976 11.362 837 HE21 GLN 707 2HE GLN 707 0.349 6.159 14.231 838 H GLU 708 H GLU 708 -1.793 7.088 11.210 839 HA GLU 708 HA GLU 708 -2.261 9.626 12.013 840 HB2 GLU 708 2HB GLU 708 -2.755 8.635 14.291 841 HB3 GLU 708 1HB GLU 708 -1.130 7.982 14.321 842 HG2 GLU 708 2HG GLU 708 -0.220 10.248 14.292 843 HG3 GLU 708 1HG GLU 708 -1.853 10.904 14.235 844 H GLU 709 H GLU 709 -0.127 10.751 12.280 845 HA GLU 709 HA GLU 709 1.950 9.368 10.816 846 HB2 GLU 709 2HB GLU 709 3.029 11.609 10.789 847 HB3 GLU 709 1HB GLU 709 1.404 11.643 10.124 848 HG2 GLU 709 2HG GLU 709 0.555 12.564 12.219 849 HG3 GLU 709 1HG GLU 709 2.173 12.502 12.910 850 H ASP 710 H ASP 710 4.075 9.093 11.682 851 HA ASP 710 HA ASP 710 4.176 9.231 14.617 852 HB2 ASP 710 2HB ASP 710 4.454 6.973 13.366 853 HB3 ASP 710 1HB ASP 710 5.972 7.615 12.767 854 H ASN 711 H ASN 711 7.121 9.069 14.585 855 HA ASN 711 HA ASN 711 7.633 11.843 14.408 856 HB2 ASN 711 2HB ASN 711 9.518 9.533 14.826 857 HB3 ASN 711 1HB ASN 711 10.058 11.208 14.805 858 HD21 ASN 711 2HD ASN 711 9.264 9.966 18.268 859 H SER 712 H SER 712 8.178 9.311 12.122 860 HA SER 712 HA SER 712 8.313 11.245 10.065 861 HB2 SER 712 2HB SER 712 10.509 10.606 9.069 862 HB3 SER 712 1HB SER 712 10.646 11.432 10.604 863 HG SER 712 HG SER 712 11.204 9.617 11.600 864 H THR 713 H THR 713 7.891 8.059 11.081 865 HA THR 713 HA THR 713 7.453 7.099 8.389 866 HB THR 713 HB THR 713 7.204 5.687 11.068 867 HG1 THR 713 1HG THR 713 9.338 6.291 9.428 868 HG21 THR 713 2HG THR 713 7.297 3.623 9.725 869 H TYR 714 H TYR 714 5.421 6.719 7.624 870 HA TYR 714 HA TYR 714 3.182 7.552 9.323 871 HB2 TYR 714 2HB TYR 714 3.417 7.365 6.305 872 HB3 TYR 714 1HB TYR 714 1.962 7.841 7.167 873 HD1 TYR 714 1HD TYR 714 5.558 8.831 6.793 874 HD2 TYR 714 2HD TYR 714 1.565 10.136 7.450 875 HE1 TYR 714 1HE TYR 714 6.308 11.157 6.673 876 HE2 TYR 714 2HE TYR 714 2.312 12.479 7.330 877 HH TYR 714 HH TYR 714 4.365 13.789 7.587 878 H ASN 715 H ASN 715 1.959 5.950 10.091 879 HA ASN 715 HA ASN 715 2.125 3.338 8.810 880 HB2 ASN 715 2HB ASN 715 1.319 4.122 11.598 881 HB3 ASN 715 1HB ASN 715 0.817 2.589 10.937 882 HD21 ASN 715 2HD ASN 715 3.883 0.976 11.235 883 H PHE 716 H PHE 716 0.581 2.332 7.906 884 HA PHE 716 HA PHE 716 -2.055 3.593 7.877 885 HB2 PHE 716 2HB PHE 716 -0.454 2.487 5.616 886 HB3 PHE 716 1HB PHE 716 -2.181 2.722 5.446 887 HD1 PHE 716 2HD PHE 716 1.088 4.299 5.705 888 HD2 PHE 716 1HD PHE 716 -3.099 4.991 5.468 889 HE1 PHE 716 2HE PHE 716 1.508 6.663 5.170 890 HE2 PHE 716 1HE PHE 716 -2.678 7.351 4.932 891 HZ PHE 716 HZ PHE 716 -0.377 8.183 4.786 892 H ARG 717 H ARG 717 -3.746 2.390 8.123 893 HA ARG 717 HA ARG 717 -3.358 -0.464 8.596 894 HB2 ARG 717 2HB ARG 717 -5.680 1.349 9.275 895 HB3 ARG 717 1HB ARG 717 -5.583 -0.367 9.659 896 HG2 ARG 717 2HG ARG 717 -3.632 0.055 11.017 897 HG3 ARG 717 1HG ARG 717 -3.754 1.775 10.623 898 HD2 ARG 717 2HD ARG 717 -5.955 1.878 11.697 899 HD3 ARG 717 1HD ARG 717 -5.850 0.160 12.092 900 HE ARG 717 HE ARG 717 -3.628 1.138 13.181 901 HH12 ARG 717 1HH ARG 717 -6.853 2.768 15.038 902 HH21 ARG 717 2HH ARG 717 -4.785 2.682 16.139 903 H TRP 718 H TRP 718 -3.564 -1.498 6.853 904 HA TRP 718 HA TRP 718 -5.548 -0.699 4.838 905 HB2 TRP 718 2HB TRP 718 -3.119 -0.967 4.259 906 HB3 TRP 718 1HB TRP 718 -3.252 -2.662 4.672 907 HD1 TRP 718 HD TRP 718 -5.546 -3.752 3.049 908 HE1 TRP 718 1HE TRP 718 -5.591 -3.629 0.473 909 HE3 TRP 718 3HE TRP 718 -2.268 0.129 2.301 910 HZ2 TRP 718 2HZ TRP 718 -4.427 -2.153 -1.569 911 HZ3 TRP 718 3HZ TRP 718 -1.797 0.821 0.003 912 HH2 TRP 718 HH TRP 718 -2.849 -0.288 -1.899 913 H TYR 719 H TYR 719 -7.410 -1.750 5.142 914 HA TYR 719 HA TYR 719 -7.306 -4.403 6.330 915 HB2 TYR 719 2HB TYR 719 -9.622 -2.488 6.057 916 HB3 TYR 719 1HB TYR 719 -9.739 -4.114 6.705 917 HD1 TYR 719 2HD TYR 719 -8.347 -4.702 8.671 918 HD2 TYR 719 1HD TYR 719 -8.989 -0.693 7.490 919 HE1 TYR 719 2HE TYR 719 -7.746 -3.962 10.929 920 HE2 TYR 719 1HE TYR 719 -8.377 0.081 9.752 921 HH TYR 719 HH TYR 719 -8.363 -0.846 12.013 922 H THR 720 H THR 720 -7.200 -5.934 4.983 923 HA THR 720 HA THR 720 -8.937 -5.886 2.652 924 HB THR 720 HB THR 720 -6.815 -5.265 1.764 925 HG1 THR 720 1HG THR 720 -7.304 -6.594 0.258 926 HG21 THR 720 2HG THR 720 -4.780 -6.607 2.082 927 H SER 721 H SER 721 -9.844 -7.816 2.147 928 HA SER 721 HA SER 721 -9.816 -9.831 4.123 929 HB2 SER 721 2HB SER 721 -10.915 -9.865 1.311 930 HB3 SER 721 1HB SER 721 -11.342 -10.987 2.607 931 HG SER 721 HG SER 721 -11.701 -8.650 3.653 932 H TYR 722 H TYR 722 -7.984 -9.203 1.249 933 HA TYR 722 HA TYR 722 -7.137 -11.786 0.591 934 HB2 TYR 722 2HB TYR 722 -5.856 -9.107 0.156 935 HB3 TYR 722 1HB TYR 722 -5.141 -10.598 -0.433 936 HD1 TYR 722 1HD TYR 722 -7.868 -8.171 -0.894 937 HD2 TYR 722 2HD TYR 722 -6.138 -11.798 -2.281 938 HE1 TYR 722 1HE TYR 722 -9.197 -8.028 -2.987 939 HE2 TYR 722 2HE TYR 722 -7.445 -11.648 -4.340 940 HH TYR 722 HH TYR 722 -9.080 -8.817 -5.257 941 H ALA 723 H ALA 723 -5.835 -9.404 2.867 942 HA ALA 723 HA ALA 723 -3.281 -10.181 3.239 943 HB1 ALA 723 1HB ALA 723 -5.087 -9.252 5.453 944 HB2 ALA 723 2HB ALA 723 -4.194 -8.224 4.321 945 HB3 ALA 723 3HB ALA 723 -3.331 -9.239 5.462 946 H CYS 724 H CYS 724 -5.977 -11.901 4.910 947 HA CYS 724 HA CYS 724 -3.832 -13.658 5.604 948 HB2 CYS 724 2HB CYS 724 -4.818 -14.375 7.690 949 HB3 CYS 724 1HB CYS 724 -4.638 -12.634 7.691 950 HA PRO 725 HA PRO 725 -6.190 -16.693 3.445 951 HB2 PRO 725 2HB PRO 725 -4.577 -18.834 3.913 952 HB3 PRO 725 1HB PRO 725 -4.169 -17.576 2.743 953 HG2 PRO 725 2HG PRO 725 -3.092 -18.047 5.470 954 HG3 PRO 725 1HG PRO 725 -2.293 -17.365 4.047 955 HD2 PRO 725 2HD PRO 725 -3.310 -15.911 6.205 956 HD3 PRO 725 1HD PRO 725 -2.891 -15.258 4.612 Start of MODEL 4 1 H1 GLU 578 1HT GLU 578 2.868 -24.727 9.542 2 H2 GLU 578 2HT GLU 578 1.754 -23.517 9.233 3 H3 GLU 578 3HT GLU 578 1.455 -25.089 8.690 4 HA GLU 578 HA GLU 578 0.119 -24.541 10.597 5 HB2 GLU 578 2HB GLU 578 0.734 -26.452 12.055 6 HB3 GLU 578 1HB GLU 578 0.696 -26.866 10.349 7 HG2 GLU 578 2HG GLU 578 3.094 -26.840 10.243 8 HG3 GLU 578 1HG GLU 578 3.202 -26.258 11.904 9 H ALA 579 H ALA 579 2.759 -22.829 10.609 10 HA ALA 579 HA ALA 579 2.306 -21.813 13.205 11 HB1 ALA 579 1HB ALA 579 4.695 -21.891 13.860 12 HB2 ALA 579 2HB ALA 579 5.035 -22.902 12.455 13 HB3 ALA 579 3HB ALA 579 3.994 -23.504 13.744 14 H GLU 580 H GLU 580 1.614 -20.134 12.009 15 HA GLU 580 HA GLU 580 3.242 -19.141 9.799 16 HB2 GLU 580 2HB GLU 580 0.587 -18.064 10.668 17 HB3 GLU 580 1HB GLU 580 1.313 -18.033 9.071 18 HG2 GLU 580 2HG GLU 580 0.176 -20.447 10.485 19 HG3 GLU 580 1HG GLU 580 -0.543 -19.588 9.133 20 H ALA 581 H ALA 581 2.209 -18.302 13.001 21 HA ALA 581 HA ALA 581 3.977 -16.005 13.050 22 HB1 ALA 581 1HB ALA 581 1.053 -15.754 13.767 23 HB2 ALA 581 2HB ALA 581 1.814 -15.083 12.329 24 HB3 ALA 581 3HB ALA 581 2.278 -14.489 13.925 25 H GLU 582 H GLU 582 5.207 -16.698 14.653 26 HA GLU 582 HA GLU 582 3.923 -17.691 17.122 27 HB2 GLU 582 2HB GLU 582 6.578 -18.522 15.931 28 HB3 GLU 582 1HB GLU 582 5.934 -19.085 17.462 29 HG2 GLU 582 2HG GLU 582 4.672 -19.564 14.770 30 HG3 GLU 582 1HG GLU 582 5.705 -20.710 15.621 31 H PHE 583 H PHE 583 7.163 -16.860 16.160 32 HA PHE 583 HA PHE 583 7.282 -14.333 17.209 33 HB2 PHE 583 2HB PHE 583 8.938 -14.735 19.092 34 HB3 PHE 583 1HB PHE 583 7.323 -15.300 19.457 35 HD1 PHE 583 1HD PHE 583 6.874 -17.799 19.336 36 HD2 PHE 583 2HD PHE 583 10.806 -16.174 19.196 37 HE1 PHE 583 1HE PHE 583 7.802 -19.987 19.978 38 HE2 PHE 583 2HE PHE 583 11.737 -18.360 19.824 39 HZ PHE 583 HZ PHE 583 10.232 -20.271 20.216 40 H LEU 584 H LEU 584 7.817 -14.346 15.072 41 HA LEU 584 HA LEU 584 10.285 -15.643 14.298 42 HB2 LEU 584 2HB LEU 584 8.489 -13.864 12.649 43 HB3 LEU 584 1HB LEU 584 9.780 -14.883 12.049 44 HG LEU 584 HG LEU 584 7.213 -15.831 13.312 45 HD13 LEU 584 1HD LEU 584 6.602 -16.539 11.087 46 HD21 LEU 584 2HD LEU 584 9.444 -17.377 12.002 47 H SER 585 H SER 585 9.384 -12.505 13.092 48 HA SER 585 HA SER 585 10.907 -10.667 14.344 49 HB2 SER 585 2HB SER 585 12.869 -12.230 13.795 50 HB3 SER 585 1HB SER 585 12.464 -12.050 12.093 51 HG SER 585 HG SER 585 13.980 -10.579 12.398 52 H ARG 586 H ARG 586 11.744 -9.231 12.075 53 HA ARG 586 HA ARG 586 9.353 -9.317 10.364 54 HB2 ARG 586 2HB ARG 586 9.917 -7.106 11.425 55 HB3 ARG 586 1HB ARG 586 11.465 -7.152 10.597 56 HG2 ARG 586 2HG ARG 586 10.288 -7.188 8.433 57 HG3 ARG 586 1HG ARG 586 8.758 -7.030 9.289 58 HD2 ARG 586 2HD ARG 586 9.528 -4.863 8.443 59 HD3 ARG 586 1HD ARG 586 9.496 -4.877 10.205 60 HE ARG 586 HE ARG 586 11.812 -4.957 10.252 61 HH12 ARG 586 1HH ARG 586 12.082 -4.159 6.265 62 HH21 ARG 586 2HH ARG 586 13.960 -3.855 7.684 63 H THR 587 H THR 587 9.653 -10.519 8.691 64 HA THR 587 HA THR 587 12.332 -10.923 7.589 65 HB THR 587 HB THR 587 9.742 -12.375 6.985 66 HG1 THR 587 1HG THR 587 10.225 -13.740 8.563 67 HG21 THR 587 2HG THR 587 11.479 -12.647 5.288 68 H GLU 588 H GLU 588 12.800 -10.179 5.490 69 HA GLU 588 HA GLU 588 10.604 -8.748 4.224 70 HB2 GLU 588 2HB GLU 588 13.569 -8.311 3.912 71 HB3 GLU 588 1HB GLU 588 12.322 -7.432 3.038 72 HG2 GLU 588 2HG GLU 588 11.451 -6.603 5.182 73 HG3 GLU 588 1HG GLU 588 12.768 -7.430 6.011 74 H GLY 589 H GLY 589 9.954 -9.170 2.321 75 HA2 GLY 589 2HA GLY 589 11.349 -11.205 0.735 76 HA3 GLY 589 1HA GLY 589 9.603 -10.957 0.708 77 H ASP 590 H ASP 590 10.696 -10.825 -1.681 78 HA ASP 590 HA ASP 590 11.095 -7.955 -2.109 79 HB2 ASP 590 2HB ASP 590 13.284 -9.089 -2.037 80 HB3 ASP 590 1HB ASP 590 12.778 -10.121 -3.365 81 H ASN 591 H ASN 591 10.019 -7.125 -3.675 82 HA ASN 591 HA ASN 591 8.804 -6.725 -5.467 83 HB2 ASN 591 2HB ASN 591 10.556 -7.829 -6.790 84 HB3 ASN 591 1HB ASN 591 9.759 -9.382 -6.563 85 HD21 ASN 591 2HD ASN 591 8.331 -8.784 -9.690 86 H CYS 592 H CYS 592 7.070 -6.759 -4.078 87 HA CYS 592 HA CYS 592 4.858 -6.986 -3.717 88 HB2 CYS 592 2HB CYS 592 4.897 -8.591 -6.263 89 HB3 CYS 592 1HB CYS 592 3.452 -7.957 -5.479 90 H THR 593 H THR 593 6.836 -9.448 -3.209 91 HA THR 593 HA THR 593 4.719 -11.107 -2.134 92 HB THR 593 HB THR 593 6.074 -13.132 -2.809 93 HG1 THR 593 1HG THR 593 7.434 -11.144 -4.308 94 HG21 THR 593 2HG THR 593 4.025 -12.545 -4.018 95 H VAL 594 H VAL 594 5.308 -12.246 -0.341 96 HA VAL 594 HA VAL 594 7.903 -11.588 0.725 97 HB VAL 594 HB VAL 594 6.447 -10.099 1.818 98 HG13 VAL 594 1HG VAL 594 4.717 -12.471 2.543 99 HG21 VAL 594 2HG VAL 594 6.662 -10.666 4.120 100 H PHE 595 H PHE 595 9.008 -13.175 1.627 101 HA PHE 595 HA PHE 595 7.651 -15.684 2.058 102 HB2 PHE 595 2HB PHE 595 9.629 -16.838 0.907 103 HB3 PHE 595 1HB PHE 595 8.465 -16.004 -0.113 104 HD1 PHE 595 2HD PHE 595 11.902 -15.918 1.220 105 HD2 PHE 595 1HD PHE 595 9.105 -14.080 -1.405 106 HE1 PHE 595 2HE PHE 595 13.722 -14.658 0.168 107 HE2 PHE 595 1HE PHE 595 10.926 -12.810 -2.461 108 HZ PHE 595 HZ PHE 595 13.240 -13.098 -1.676 109 H ASP 596 H ASP 596 8.243 -16.792 3.733 110 HA ASP 596 HA ASP 596 10.479 -15.830 5.470 111 HB2 ASP 596 2HB ASP 596 8.086 -15.135 6.113 112 HB3 ASP 596 1HB ASP 596 7.770 -16.835 6.281 113 H SER 597 H SER 597 11.882 -17.572 5.531 114 HA SER 597 HA SER 597 11.106 -20.271 5.060 115 HB2 SER 597 2HB SER 597 13.662 -19.180 6.246 116 HB3 SER 597 1HB SER 597 13.420 -20.811 5.621 117 HG SER 597 HG SER 597 14.231 -19.821 3.947 118 H GLN 598 H GLN 598 11.203 -18.307 7.848 119 HA GLN 598 HA GLN 598 11.751 -20.243 9.858 120 HB2 GLN 598 2HB GLN 598 10.411 -17.541 10.007 121 HB3 GLN 598 1HB GLN 598 11.145 -18.422 11.347 122 HG2 GLN 598 2HG GLN 598 13.273 -17.938 10.684 123 HG3 GLN 598 1HG GLN 598 12.834 -17.805 8.984 124 HE21 GLN 598 2HE GLN 598 11.996 -14.447 8.992 125 H ALA 599 H ALA 599 8.845 -18.659 8.645 126 HA ALA 599 HA ALA 599 7.132 -20.576 10.058 127 HB1 ALA 599 1HB ALA 599 6.500 -18.230 10.101 128 HB2 ALA 599 2HB ALA 599 5.290 -19.181 9.235 129 HB3 ALA 599 3HB ALA 599 6.446 -18.193 8.341 130 H GLY 600 H GLY 600 8.522 -19.988 6.993 131 HA2 GLY 600 2HA GLY 600 8.577 -21.369 5.108 132 HA3 GLY 600 1HA GLY 600 7.537 -22.512 5.962 133 H PHE 601 H PHE 601 7.072 -19.147 5.316 134 HA PHE 601 HA PHE 601 4.468 -19.785 4.101 135 HB2 PHE 601 2HB PHE 601 4.442 -18.887 6.432 136 HB3 PHE 601 1HB PHE 601 5.258 -17.457 5.852 137 HD1 PHE 601 1HD PHE 601 2.145 -19.432 5.471 138 HD2 PHE 601 2HD PHE 601 4.016 -15.631 5.106 139 HE1 PHE 601 1HE PHE 601 -0.039 -18.406 5.088 140 HE2 PHE 601 2HE PHE 601 1.824 -14.596 4.727 141 HZ PHE 601 HZ PHE 601 -0.209 -15.989 4.720 142 H SER 602 H SER 602 3.802 -18.421 2.399 143 HA SER 602 HA SER 602 5.614 -16.355 1.477 144 HB2 SER 602 2HB SER 602 5.365 -17.215 -0.869 145 HB3 SER 602 1HB SER 602 6.277 -18.304 0.174 146 HG SER 602 HG SER 602 3.692 -18.918 0.365 147 H PHE 603 H PHE 603 4.485 -14.617 0.705 148 HA PHE 603 HA PHE 603 1.594 -14.991 0.339 149 HB2 PHE 603 2HB PHE 603 2.540 -14.078 2.696 150 HB3 PHE 603 1HB PHE 603 2.589 -12.616 1.767 151 HD1 PHE 603 1HD PHE 603 0.286 -15.288 2.753 152 HD2 PHE 603 2HD PHE 603 0.728 -11.315 1.368 153 HE1 PHE 603 1HE PHE 603 -2.103 -14.920 3.111 154 HE2 PHE 603 2HE PHE 603 -1.667 -10.924 1.721 155 HZ PHE 603 HZ PHE 603 -3.080 -12.746 2.602 156 H ASP 604 H ASP 604 0.650 -13.370 -0.993 157 HA ASP 604 HA ASP 604 2.558 -11.631 -2.396 158 HB2 ASP 604 2HB ASP 604 1.526 -12.104 -4.560 159 HB3 ASP 604 1HB ASP 604 2.085 -13.599 -3.833 160 H LEU 605 H LEU 605 1.895 -9.616 -2.836 161 HA LEU 605 HA LEU 605 -0.901 -8.941 -2.139 162 HB2 LEU 605 2HB LEU 605 1.585 -7.295 -1.649 163 HB3 LEU 605 1HB LEU 605 -0.048 -6.687 -1.493 164 HG LEU 605 HG LEU 605 0.833 -7.107 0.607 165 HD13 LEU 605 1HD LEU 605 -1.209 -9.234 -0.051 166 HD21 LEU 605 2HD LEU 605 1.386 -9.476 1.364 167 H THR 606 H THR 606 0.971 -9.394 -4.531 168 HA THR 606 HA THR 606 1.138 -7.352 -6.254 169 HB THR 606 HB THR 606 0.205 -10.107 -7.014 170 HG1 THR 606 1HG THR 606 2.409 -10.668 -6.834 171 HG21 THR 606 2HG THR 606 0.405 -8.448 -8.814 172 HA PRO 607 HA PRO 607 -3.545 -8.179 -7.823 173 HB2 PRO 607 2HB PRO 607 -5.207 -8.931 -5.741 174 HB3 PRO 607 1HB PRO 607 -4.590 -10.021 -6.981 175 HG2 PRO 607 2HG PRO 607 -3.579 -9.527 -4.214 176 HG3 PRO 607 1HG PRO 607 -3.731 -11.052 -5.100 177 HD2 PRO 607 2HD PRO 607 -1.368 -9.873 -4.833 178 HD3 PRO 607 1HD PRO 607 -1.827 -10.653 -6.363 179 H LEU 608 H LEU 608 -2.443 -6.688 -4.860 180 HA LEU 608 HA LEU 608 -4.741 -4.960 -4.719 181 HB2 LEU 608 2HB LEU 608 -2.260 -5.203 -3.043 182 HB3 LEU 608 1HB LEU 608 -3.460 -3.956 -2.808 183 HG LEU 608 HG LEU 608 -5.114 -5.807 -2.280 184 HD13 LEU 608 1HD LEU 608 -3.974 -7.651 -3.344 185 HD21 LEU 608 2HD LEU 608 -4.078 -4.494 -0.530 186 H THR 609 H THR 609 -2.166 -5.064 -6.651 187 HA THR 609 HA THR 609 -1.203 -2.366 -6.531 188 HB THR 609 HB THR 609 -0.982 -4.452 -8.712 189 HG1 THR 609 1HG THR 609 0.029 -5.308 -7.083 190 HG21 THR 609 2HG THR 609 0.674 -1.971 -8.198 191 H LYS 610 H LYS 610 -2.182 -0.599 -7.438 192 HA LYS 610 HA LYS 610 -4.247 -1.098 -9.479 193 HB2 LYS 610 2HB LYS 610 -4.055 1.168 -7.526 194 HB3 LYS 610 1HB LYS 610 -5.223 1.051 -8.816 195 HG2 LYS 610 2HG LYS 610 -6.119 -1.012 -7.677 196 HG3 LYS 610 1HG LYS 610 -4.974 -0.687 -6.390 197 HD2 LYS 610 2HD LYS 610 -7.100 0.260 -5.756 198 HD3 LYS 610 1HD LYS 610 -5.949 1.554 -6.062 199 HE2 LYS 610 2HE LYS 610 -6.939 1.749 -8.364 200 HE3 LYS 610 1HE LYS 610 -8.133 0.555 -7.798 201 HZ1 LYS 610 3HZ LYS 610 -7.698 3.226 -6.581 202 HZ2 LYS 610 1HZ LYS 610 -8.889 2.103 -6.146 203 HZ3 LYS 610 2HZ LYS 610 -8.924 2.839 -7.661 204 H LYS 611 H LYS 611 -4.227 0.166 -11.287 205 HA LYS 611 HA LYS 611 -1.865 1.686 -11.859 206 HB2 LYS 611 2HB LYS 611 -2.976 2.176 -14.048 207 HB3 LYS 611 1HB LYS 611 -2.869 0.463 -13.684 208 HG2 LYS 611 2HG LYS 611 -5.223 0.471 -13.001 209 HG3 LYS 611 1HG LYS 611 -5.322 2.186 -13.400 210 HD2 LYS 611 2HD LYS 611 -4.814 1.699 -15.718 211 HD3 LYS 611 1HD LYS 611 -4.602 -0.008 -15.347 212 HE2 LYS 611 2HE LYS 611 -6.959 -0.134 -14.645 213 HE3 LYS 611 1HE LYS 611 -7.166 1.564 -15.039 214 HZ1 LYS 611 3HZ LYS 611 -6.672 1.042 -17.357 215 HZ2 LYS 611 1HZ LYS 611 -7.972 0.146 -16.816 216 HZ3 LYS 611 2HZ LYS 611 -6.465 -0.580 -16.967 217 H ASP 612 H ASP 612 -4.927 2.350 -10.539 218 HA ASP 612 HA ASP 612 -4.702 5.251 -10.939 219 HB2 ASP 612 2HB ASP 612 -6.910 3.585 -9.716 220 HB3 ASP 612 1HB ASP 612 -6.918 5.338 -9.738 221 H ALA 613 H ALA 613 -3.938 2.891 -8.674 222 HA ALA 613 HA ALA 613 -3.192 2.838 -6.567 223 HB1 ALA 613 1HB ALA 613 -1.701 4.680 -7.261 224 HB2 ALA 613 2HB ALA 613 -2.172 4.820 -5.568 225 HB3 ALA 613 3HB ALA 613 -2.930 5.849 -6.784 226 H TYR 614 H TYR 614 -3.588 3.996 -4.314 227 HA TYR 614 HA TYR 614 -6.527 4.198 -3.987 228 HB2 TYR 614 2HB TYR 614 -4.368 3.349 -2.061 229 HB3 TYR 614 1HB TYR 614 -6.070 3.433 -1.658 230 HD1 TYR 614 2HD TYR 614 -3.491 1.649 -3.614 231 HD2 TYR 614 1HD TYR 614 -7.555 1.658 -2.347 232 HE1 TYR 614 2HE TYR 614 -3.719 -0.613 -4.389 233 HE2 TYR 614 1HE TYR 614 -7.787 -0.670 -3.145 234 HH TYR 614 HH TYR 614 -5.058 -2.514 -4.044 235 H LYS 615 H LYS 615 -7.309 6.205 -3.079 236 HA LYS 615 HA LYS 615 -5.222 7.814 -1.884 237 HB2 LYS 615 2HB LYS 615 -6.697 9.668 -2.271 238 HB3 LYS 615 1HB LYS 615 -6.278 8.851 -3.771 239 HG2 LYS 615 2HG LYS 615 -8.376 7.785 -3.875 240 HG3 LYS 615 1HG LYS 615 -8.837 8.371 -2.269 241 HD2 LYS 615 2HD LYS 615 -8.300 9.899 -4.733 242 HD3 LYS 615 1HD LYS 615 -9.900 9.592 -4.015 243 HE2 LYS 615 2HE LYS 615 -9.108 10.835 -1.954 244 HE3 LYS 615 1HE LYS 615 -7.646 11.254 -2.828 245 HZ1 LYS 615 3HZ LYS 615 -10.402 12.163 -3.413 246 HZ2 LYS 615 1HZ LYS 615 -9.093 12.418 -4.459 247 HZ3 LYS 615 2HZ LYS 615 -9.069 13.069 -2.903 248 H VAL 616 H VAL 616 -5.430 8.461 0.117 249 HA VAL 616 HA VAL 616 -7.924 7.927 1.604 250 HB VAL 616 HB VAL 616 -5.136 8.355 2.719 251 HG13 VAL 616 1HG VAL 616 -6.053 7.426 4.789 252 HG21 VAL 616 2HG VAL 616 -5.020 5.935 3.146 253 H GLU 617 H GLU 617 -8.937 9.879 1.926 254 HA GLU 617 HA GLU 617 -7.169 12.190 2.027 255 HB2 GLU 617 2HB GLU 617 -8.987 13.598 1.137 256 HB3 GLU 617 1HB GLU 617 -8.477 12.357 0.013 257 HG2 GLU 617 2HG GLU 617 -10.444 11.039 0.576 258 HG3 GLU 617 1HG GLU 617 -10.945 12.277 1.732 259 H THR 618 H THR 618 -7.191 13.477 3.619 260 HA THR 618 HA THR 618 -9.276 13.219 5.656 261 HB THR 618 HB THR 618 -7.494 13.718 7.328 262 HG1 THR 618 1HG THR 618 -5.766 13.418 5.076 263 HG21 THR 618 2HG THR 618 -8.081 11.372 6.913 264 H ASP 619 H ASP 619 -8.826 15.397 7.151 265 HA ASP 619 HA ASP 619 -9.271 17.577 5.339 266 HB2 ASP 619 2HB ASP 619 -8.865 17.591 8.336 267 HB3 ASP 619 1HB ASP 619 -9.295 19.004 7.386 268 H LYS 620 H LYS 620 -6.618 16.220 6.948 269 HA LYS 620 HA LYS 620 -4.937 18.547 6.715 270 HB2 LYS 620 2HB LYS 620 -4.281 15.721 7.540 271 HB3 LYS 620 1HB LYS 620 -3.167 17.080 7.605 272 HG2 LYS 620 2HG LYS 620 -4.586 18.196 9.237 273 HG3 LYS 620 1HG LYS 620 -5.756 16.891 9.139 274 HD2 LYS 620 2HD LYS 620 -4.364 16.645 11.130 275 HD3 LYS 620 1HD LYS 620 -4.059 15.321 10.007 276 HE2 LYS 620 2HE LYS 620 -2.026 16.435 9.229 277 HE3 LYS 620 1HE LYS 620 -2.367 17.800 10.291 278 HZ1 LYS 620 3HZ LYS 620 -1.793 15.012 11.220 279 HZ2 LYS 620 1HZ LYS 620 -2.122 16.337 12.185 280 HZ3 LYS 620 2HZ LYS 620 -0.733 16.329 11.263 281 H TYR 621 H TYR 621 -4.692 15.221 5.378 282 HA TYR 621 HA TYR 621 -3.364 16.395 2.995 283 HB2 TYR 621 2HB TYR 621 -2.438 13.867 4.364 284 HB3 TYR 621 1HB TYR 621 -1.705 14.668 2.996 285 HD1 TYR 621 2HD TYR 621 -0.441 16.812 3.393 286 HD2 TYR 621 1HD TYR 621 -1.918 14.418 6.575 287 HE1 TYR 621 2HE TYR 621 1.127 17.900 4.942 288 HE2 TYR 621 1HE TYR 621 -0.365 15.500 8.129 289 HH TYR 621 HH TYR 621 1.826 16.677 7.981 290 H GLU 622 H GLU 622 -3.418 14.954 1.152 291 HA GLU 622 HA GLU 622 -5.243 12.663 1.422 292 HB2 GLU 622 2HB GLU 622 -4.245 13.930 -1.145 293 HB3 GLU 622 1HB GLU 622 -5.358 12.588 -1.018 294 HG2 GLU 622 2HG GLU 622 -6.920 14.166 0.129 295 HG3 GLU 622 1HG GLU 622 -5.781 15.444 -0.365 296 H PHE 623 H PHE 623 -4.347 10.763 1.275 297 HA PHE 623 HA PHE 623 -1.490 10.697 0.593 298 HB2 PHE 623 2HB PHE 623 -3.130 8.761 2.245 299 HB3 PHE 623 1HB PHE 623 -1.412 8.627 1.914 300 HD1 PHE 623 2HD PHE 623 -3.983 10.405 3.818 301 HD2 PHE 623 1HD PHE 623 0.182 10.034 3.042 302 HE1 PHE 623 2HE PHE 623 -3.493 11.727 5.830 303 HE2 PHE 623 1HE PHE 623 0.677 11.350 5.055 304 HZ PHE 623 HZ PHE 623 -1.160 12.200 6.448 305 H HIS 624 H HIS 624 -1.038 9.737 -1.259 306 HA HIS 624 HA HIS 624 -3.034 7.878 -2.267 307 HB2 HIS 624 2HB HIS 624 -1.088 9.662 -3.754 308 HB3 HIS 624 1HB HIS 624 -1.943 8.337 -4.534 309 HD1 HIS 624 1HD HIS 624 -4.199 8.882 -5.483 310 HD2 HIS 624 2HD HIS 624 -3.065 11.789 -2.679 311 HE1 HIS 624 1HE HIS 624 -5.946 10.647 -5.548 312 HE2 HIS 624 2HE HIS 624 -4.960 12.524 -4.234 313 H ILE 625 H ILE 625 -2.528 5.876 -2.281 314 HA ILE 625 HA ILE 625 0.285 5.085 -1.821 315 HB ILE 625 HB ILE 625 -2.157 3.876 -0.494 316 HG12 ILE 625 1HG ILE 625 -0.208 5.893 0.664 317 HG23 ILE 625 2HG ILE 625 0.800 3.606 0.098 318 HD11 ILE 625 1HD ILE 625 -2.631 4.641 1.916 319 H ASN 626 H ASN 626 0.777 3.008 -2.666 320 HA ASN 626 HA ASN 626 -1.281 1.495 -3.970 321 HB2 ASN 626 2HB ASN 626 -0.288 3.173 -5.647 322 HB3 ASN 626 1HB ASN 626 1.243 2.319 -5.443 323 HD21 ASN 626 2HD ASN 626 0.066 0.838 -8.386 324 H VAL 627 H VAL 627 -0.452 -0.723 -4.307 325 HA VAL 627 HA VAL 627 1.303 -1.317 -2.106 326 HB VAL 627 HB VAL 627 -0.106 -3.207 -4.003 327 HG13 VAL 627 1HG VAL 627 1.378 -3.844 -1.437 328 HG21 VAL 627 2HG VAL 627 -1.557 -3.584 -2.040 329 H CYS 628 H CYS 628 1.444 -1.795 -5.438 330 HA CYS 628 HA CYS 628 4.377 -1.823 -5.352 331 HB2 CYS 628 2HB CYS 628 2.709 -3.656 -7.113 332 HB3 CYS 628 1HB CYS 628 4.435 -3.444 -7.216 333 H GLY 629 H GLY 629 5.315 -0.705 -7.047 334 HA2 GLY 629 2HA GLY 629 5.351 0.350 -9.124 335 HA3 GLY 629 1HA GLY 629 3.597 0.213 -9.199 336 HA PRO 630 HA PRO 630 4.559 4.465 -7.741 337 HB2 PRO 630 2HB PRO 630 3.836 5.886 -9.855 338 HB3 PRO 630 1HB PRO 630 5.403 5.074 -9.815 339 HG2 PRO 630 2HG PRO 630 2.902 4.294 -11.245 340 HG3 PRO 630 1HG PRO 630 4.587 4.149 -11.770 341 HD2 PRO 630 2HD PRO 630 3.037 2.098 -10.654 342 HD3 PRO 630 1HD PRO 630 4.805 2.095 -10.800 343 H VAL 631 H VAL 631 3.047 6.276 -7.540 344 HA VAL 631 HA VAL 631 0.264 5.361 -7.568 345 HB VAL 631 HB VAL 631 -0.214 7.249 -5.977 346 HG13 VAL 631 1HG VAL 631 0.026 5.033 -5.166 347 HG21 VAL 631 2HG VAL 631 1.654 8.261 -4.750 348 H SER 632 H SER 632 -1.163 6.316 -8.771 349 HA SER 632 HA SER 632 -0.221 8.467 -10.463 350 HB2 SER 632 2HB SER 632 -2.925 7.117 -10.341 351 HB3 SER 632 1HB SER 632 -2.374 8.227 -11.601 352 HG SER 632 HG SER 632 -2.072 5.643 -11.603 353 H VAL 633 H VAL 633 -0.487 10.548 -10.039 354 HA VAL 633 HA VAL 633 -2.740 11.613 -8.544 355 HB VAL 633 HB VAL 633 0.092 12.317 -7.718 356 HG13 VAL 633 1HG VAL 633 -2.524 12.939 -6.390 357 HG21 VAL 633 2HG VAL 633 -0.199 11.088 -5.607 358 H GLY 634 H GLY 634 -2.998 13.816 -9.226 359 HA2 GLY 634 2HA GLY 634 -1.388 14.557 -11.526 360 HA3 GLY 634 1HA GLY 634 -2.795 15.420 -10.910 361 H ALA 635 H ALA 635 -0.039 14.477 -8.994 362 HA ALA 635 HA ALA 635 1.157 17.120 -8.946 363 HB1 ALA 635 1HB ALA 635 0.719 17.583 -6.609 364 HB2 ALA 635 2HB ALA 635 -0.219 16.099 -6.466 365 HB3 ALA 635 3HB ALA 635 -0.801 17.414 -7.488 366 H CYS 636 H CYS 636 1.764 14.003 -9.074 367 HA CYS 636 HA CYS 636 4.028 14.156 -7.230 368 HB2 CYS 636 2HB CYS 636 2.111 11.811 -7.271 369 HB3 CYS 636 1HB CYS 636 3.587 11.918 -6.325 370 HA PRO 637 HA PRO 637 6.269 12.465 -10.629 371 HB2 PRO 637 2HB PRO 637 8.217 11.095 -9.211 372 HB3 PRO 637 1HB PRO 637 8.267 12.825 -9.565 373 HG2 PRO 637 2HG PRO 637 7.402 11.426 -7.072 374 HG3 PRO 637 1HG PRO 637 8.332 12.924 -7.256 375 HD2 PRO 637 2HD PRO 637 5.735 12.950 -6.616 376 HD3 PRO 637 1HD PRO 637 6.449 14.193 -7.661 377 HA PRO 638 HA PRO 638 4.399 8.438 -11.021 378 HB2 PRO 638 2HB PRO 638 5.330 7.845 -13.473 379 HB3 PRO 638 1HB PRO 638 4.074 9.064 -13.210 380 HG2 PRO 638 2HG PRO 638 7.009 9.421 -13.657 381 HG3 PRO 638 1HG PRO 638 5.659 10.328 -14.352 382 HD2 PRO 638 2HD PRO 638 7.119 11.249 -12.267 383 HD3 PRO 638 1HD PRO 638 5.398 11.629 -12.481 384 H ASP 639 H ASP 639 7.285 8.722 -9.923 385 HA ASP 639 HA ASP 639 7.980 5.879 -10.336 386 HB2 ASP 639 2HB ASP 639 10.345 6.416 -10.026 387 HB3 ASP 639 1HB ASP 639 9.684 7.358 -11.356 388 H SER 640 H SER 640 6.610 7.871 -8.266 389 HA SER 640 HA SER 640 7.932 6.710 -5.942 390 HB2 SER 640 2HB SER 640 6.151 9.144 -6.135 391 HB3 SER 640 1HB SER 640 7.042 8.603 -4.704 392 HG SER 640 HG SER 640 8.360 8.998 -7.120 393 H GLY 641 H GLY 641 6.581 5.637 -4.388 394 HA2 GLY 641 2HA GLY 641 4.052 4.835 -5.605 395 HA3 GLY 641 1HA GLY 641 5.047 3.787 -4.620 396 H ALA 642 H ALA 642 5.054 6.784 -3.216 397 HA ALA 642 HA ALA 642 2.425 6.683 -2.018 398 HB1 ALA 642 1HB ALA 642 3.313 6.776 0.270 399 HB2 ALA 642 2HB ALA 642 4.948 6.551 -0.354 400 HB3 ALA 642 3HB ALA 642 3.748 5.268 -0.528 401 H CYS 643 H CYS 643 1.700 8.702 -1.949 402 HA CYS 643 HA CYS 643 3.589 10.888 -1.535 403 HB2 CYS 643 2HB CYS 643 3.504 10.517 -3.979 404 HB3 CYS 643 1HB CYS 643 1.772 10.754 -3.942 405 H GLN 644 H GLN 644 2.743 12.574 -0.445 406 HA GLN 644 HA GLN 644 -0.157 12.534 -0.008 407 HB2 GLN 644 2HB GLN 644 0.228 13.565 2.202 408 HB3 GLN 644 1HB GLN 644 0.927 11.962 2.118 409 HG2 GLN 644 2HG GLN 644 3.142 12.977 1.850 410 HG3 GLN 644 1HG GLN 644 2.392 14.571 1.824 411 HE21 GLN 644 2HE GLN 644 3.686 13.630 5.232 412 H VAL 645 H VAL 645 -1.206 14.362 -0.200 413 HA VAL 645 HA VAL 645 0.368 16.759 -0.662 414 HB VAL 645 HB VAL 645 -0.522 16.033 -2.832 415 HG13 VAL 645 1HG VAL 645 -2.410 14.746 -2.138 416 HG21 VAL 645 2HG VAL 645 -1.733 18.078 -3.488 417 H SER 646 H SER 646 -0.053 18.319 0.609 418 HA SER 646 HA SER 646 -1.950 18.047 2.710 419 HB2 SER 646 2HB SER 646 0.171 19.124 3.144 420 HB3 SER 646 1HB SER 646 -0.154 20.341 1.909 421 HG SER 646 HG SER 646 -1.238 19.989 4.457 422 H ARG 647 H ARG 647 -3.810 19.024 2.997 423 HA ARG 647 HA ARG 647 -4.915 20.441 0.706 424 HB2 ARG 647 2HB ARG 647 -6.264 19.330 3.166 425 HB3 ARG 647 1HB ARG 647 -7.078 20.067 1.794 426 HG2 ARG 647 2HG ARG 647 -6.245 18.282 0.339 427 HG3 ARG 647 1HG ARG 647 -5.443 17.539 1.722 428 HD2 ARG 647 2HD ARG 647 -7.557 16.439 1.272 429 HD3 ARG 647 1HD ARG 647 -7.613 17.271 2.824 430 HE ARG 647 HE ARG 647 -8.571 18.906 0.731 431 HH12 ARG 647 1HH ARG 647 -11.206 16.583 2.731 432 HH21 ARG 647 2HH ARG 647 -11.965 18.314 1.323 433 H SER 648 H SER 648 -4.033 20.814 4.067 434 HA SER 648 HA SER 648 -5.308 23.376 4.298 435 HB2 SER 648 2HB SER 648 -3.342 22.015 6.148 436 HB3 SER 648 1HB SER 648 -4.354 23.405 6.536 437 HG SER 648 HG SER 648 -4.946 20.857 6.759 438 H ASP 649 H ASP 649 -1.948 22.194 3.864 439 HA ASP 649 HA ASP 649 -1.079 25.004 3.697 440 HB2 ASP 649 2HB ASP 649 0.011 23.452 5.385 441 HB3 ASP 649 1HB ASP 649 0.665 22.549 4.030 442 H ARG 650 H ARG 650 -1.870 22.394 1.859 443 HA ARG 650 HA ARG 650 -1.743 21.763 -0.265 444 HB2 ARG 650 2HB ARG 650 -1.181 24.676 -0.595 445 HB3 ARG 650 1HB ARG 650 -1.467 23.588 -1.950 446 HG2 ARG 650 2HG ARG 650 -3.660 23.050 -1.109 447 HG3 ARG 650 1HG ARG 650 -3.373 24.027 0.330 448 HD2 ARG 650 2HD ARG 650 -4.722 25.201 -1.283 449 HD3 ARG 650 1HD ARG 650 -3.157 25.976 -1.002 450 HE ARG 650 HE ARG 650 -3.116 24.212 -3.253 451 HH12 ARG 650 1HH ARG 650 -3.828 28.181 -3.761 452 HH21 ARG 650 2HH ARG 650 -3.101 26.859 -5.597 453 H LYS 651 H LYS 651 0.896 21.667 1.224 454 HA LYS 651 HA LYS 651 2.686 21.676 -1.070 455 HB2 LYS 651 2HB LYS 651 3.146 20.893 1.795 456 HB3 LYS 651 1HB LYS 651 4.342 20.679 0.535 457 HG2 LYS 651 2HG LYS 651 4.358 23.089 0.159 458 HG3 LYS 651 1HG LYS 651 3.159 23.259 1.453 459 HD2 LYS 651 2HD LYS 651 4.708 22.276 3.052 460 HD3 LYS 651 1HD LYS 651 5.879 22.016 1.763 461 HE2 LYS 651 2HE LYS 651 6.101 24.412 1.454 462 HE3 LYS 651 1HE LYS 651 4.889 24.699 2.705 463 HZ1 LYS 651 3HZ LYS 651 7.133 24.933 3.570 464 HZ2 LYS 651 1HZ LYS 651 7.505 23.348 3.131 465 HZ3 LYS 651 2HZ LYS 651 6.338 23.644 4.311 466 H SER 652 H SER 652 4.011 19.698 -1.399 467 HA SER 652 HA SER 652 2.436 17.285 -0.992 468 HB2 SER 652 2HB SER 652 3.141 16.621 -3.351 469 HB3 SER 652 1HB SER 652 1.923 17.887 -3.236 470 HG SER 652 HG SER 652 3.344 19.371 -3.799 471 H TRP 653 H TRP 653 3.654 15.371 -0.795 472 HA TRP 653 HA TRP 653 6.609 15.537 -0.763 473 HB2 TRP 653 2HB TRP 653 4.947 14.561 1.562 474 HB3 TRP 653 1HB TRP 653 6.673 14.396 1.401 475 HD1 TRP 653 HD TRP 653 8.141 16.454 2.174 476 HE1 TRP 653 1HE TRP 653 7.600 18.502 3.602 477 HE3 TRP 653 3HE TRP 653 3.072 16.333 1.783 478 HZ2 TRP 653 2HZ TRP 653 5.277 19.943 4.406 479 HZ3 TRP 653 3HZ TRP 653 1.757 18.029 2.872 480 HH2 TRP 653 HH TRP 653 2.821 19.838 4.176 481 H ASN 654 H ASN 654 7.556 13.557 -1.100 482 HA ASN 654 HA ASN 654 5.793 11.321 -1.682 483 HB2 ASN 654 2HB ASN 654 8.785 11.654 -1.922 484 HB3 ASN 654 1HB ASN 654 7.986 10.109 -2.126 485 HD21 ASN 654 2HD ASN 654 8.602 11.793 -5.350 486 H LEU 655 H LEU 655 5.575 9.600 -0.399 487 HA LEU 655 HA LEU 655 7.050 9.764 2.105 488 HB2 LEU 655 2HB LEU 655 4.638 8.040 1.536 489 HB3 LEU 655 1HB LEU 655 5.440 8.208 3.068 490 HG LEU 655 HG LEU 655 4.708 10.738 2.762 491 HD13 LEU 655 1HD LEU 655 2.553 10.859 1.845 492 HD21 LEU 655 2HD LEU 655 2.855 8.534 3.621 493 H GLY 656 H GLY 656 7.534 8.548 -0.727 494 HA2 GLY 656 2HA GLY 656 9.678 7.181 -0.271 495 HA3 GLY 656 1HA GLY 656 8.529 5.938 0.132 496 H ARG 657 H ARG 657 10.508 6.124 -1.953 497 HA ARG 657 HA ARG 657 9.206 6.497 -4.436 498 HB2 ARG 657 2HB ARG 657 11.238 5.521 -5.422 499 HB3 ARG 657 1HB ARG 657 11.637 6.728 -4.208 500 HG2 ARG 657 2HG ARG 657 12.129 4.982 -2.599 501 HG3 ARG 657 1HG ARG 657 11.683 3.754 -3.781 502 HD2 ARG 657 2HD ARG 657 13.414 4.544 -5.257 503 HD3 ARG 657 1HD ARG 657 13.877 5.765 -4.071 504 HE ARG 657 HE ARG 657 13.916 3.152 -2.933 505 HH12 ARG 657 1HH ARG 657 17.303 4.550 -4.619 506 HH21 ARG 657 2HH ARG 657 17.374 2.723 -3.105 507 H SER 658 H SER 658 8.592 4.654 -5.917 508 HA SER 658 HA SER 658 7.213 2.580 -4.757 509 HB2 SER 658 2HB SER 658 8.477 2.730 -7.455 510 HB3 SER 658 1HB SER 658 7.135 1.659 -7.024 511 HG SER 658 HG SER 658 5.830 3.289 -6.929 512 H ASN 659 H ASN 659 7.964 1.034 -3.606 513 HA ASN 659 HA ASN 659 10.234 -0.551 -4.405 514 HB2 ASN 659 2HB ASN 659 11.232 0.892 -2.850 515 HB3 ASN 659 1HB ASN 659 9.787 0.792 -1.818 516 HD21 ASN 659 2HD ASN 659 10.942 -1.846 0.052 517 H ALA 660 H ALA 660 9.690 -2.412 -4.390 518 HA ALA 660 HA ALA 660 7.077 -3.266 -3.315 519 HB1 ALA 660 1HB ALA 660 8.765 -4.610 -5.427 520 HB2 ALA 660 2HB ALA 660 7.404 -3.529 -5.718 521 HB3 ALA 660 3HB ALA 660 7.125 -5.081 -4.950 522 H LYS 661 H LYS 661 9.617 -3.213 -1.671 523 HA LYS 661 HA LYS 661 10.201 -5.910 -1.008 524 HB2 LYS 661 2HB LYS 661 11.600 -3.736 -0.642 525 HB3 LYS 661 1HB LYS 661 10.534 -3.476 0.725 526 HG2 LYS 661 2HG LYS 661 12.450 -4.493 1.615 527 HG3 LYS 661 1HG LYS 661 11.226 -5.767 1.539 528 HD2 LYS 661 2HD LYS 661 13.175 -6.795 0.616 529 HD3 LYS 661 1HD LYS 661 12.111 -6.249 -0.711 530 HE2 LYS 661 2HE LYS 661 13.435 -4.356 -1.187 531 HE3 LYS 661 1HE LYS 661 14.420 -4.590 0.252 532 HZ1 LYS 661 3HZ LYS 661 15.540 -5.271 -1.770 533 HZ2 LYS 661 1HZ LYS 661 14.356 -6.405 -2.115 534 HZ3 LYS 661 2HZ LYS 661 15.338 -6.595 -0.750 535 H LEU 662 H LEU 662 8.829 -7.146 0.205 536 HA LEU 662 HA LEU 662 6.800 -5.803 1.853 537 HB2 LEU 662 2HB LEU 662 6.797 -8.494 0.504 538 HB3 LEU 662 1HB LEU 662 5.787 -8.199 1.907 539 HG LEU 662 HG LEU 662 4.545 -8.041 -0.183 540 HD13 LEU 662 1HD LEU 662 4.815 -5.401 1.214 541 HD21 LEU 662 2HD LEU 662 6.349 -5.714 -0.817 542 H SER 663 H SER 663 6.753 -6.104 3.988 543 HA SER 663 HA SER 663 8.836 -7.837 5.089 544 HB2 SER 663 2HB SER 663 7.458 -5.420 6.265 545 HB3 SER 663 1HB SER 663 8.703 -6.382 7.060 546 HG SER 663 HG SER 663 9.277 -5.402 4.529 547 H TYR 664 H TYR 664 8.238 -9.398 6.471 548 HA TYR 664 HA TYR 664 5.376 -9.647 7.138 549 HB2 TYR 664 2HB TYR 664 6.626 -11.493 5.859 550 HB3 TYR 664 1HB TYR 664 7.570 -11.717 7.312 551 HD1 TYR 664 2HD TYR 664 3.905 -11.309 6.667 552 HD2 TYR 664 1HD TYR 664 6.993 -13.706 8.317 553 HE1 TYR 664 2HE TYR 664 2.265 -12.857 7.292 554 HE2 TYR 664 1HE TYR 664 5.309 -15.385 9.003 555 HH TYR 664 HH TYR 664 3.017 -15.604 9.423 556 H TYR 665 H TYR 665 5.016 -8.913 9.153 557 HA TYR 665 HA TYR 665 7.258 -9.048 11.025 558 HB2 TYR 665 2HB TYR 665 6.349 -6.758 10.475 559 HB3 TYR 665 1HB TYR 665 4.816 -7.255 11.163 560 HD1 TYR 665 2HD TYR 665 4.630 -7.600 13.613 561 HD2 TYR 665 1HD TYR 665 8.191 -6.118 11.847 562 HE1 TYR 665 2HE TYR 665 5.390 -6.811 15.820 563 HE2 TYR 665 1HE TYR 665 8.960 -5.331 14.047 564 HH TYR 665 HH TYR 665 7.481 -6.302 16.931 565 H ASP 666 H ASP 666 6.826 -11.163 11.332 566 HA ASP 666 HA ASP 666 5.835 -13.045 12.056 567 HB2 ASP 666 2HB ASP 666 6.813 -12.087 14.120 568 HB3 ASP 666 1HB ASP 666 5.275 -11.308 14.472 569 H GLY 667 H GLY 667 4.230 -12.990 10.444 570 HA2 GLY 667 2HA GLY 667 2.057 -13.862 10.133 571 HA3 GLY 667 1HA GLY 667 1.593 -13.151 11.655 572 H MET 668 H MET 668 2.426 -10.494 11.134 573 HA MET 668 HA MET 668 0.267 -9.761 9.321 574 HB2 MET 668 2HB MET 668 2.057 -8.007 10.999 575 HB3 MET 668 1HB MET 668 0.684 -7.449 10.060 576 HG2 MET 668 2HG MET 668 -0.794 -8.834 11.476 577 HG3 MET 668 1HG MET 668 0.609 -9.278 12.450 578 HE1 MET 668 3HE MET 668 1.676 -5.760 13.887 579 HE2 MET 668 1HE MET 668 2.226 -6.444 12.357 580 HE3 MET 668 2HE MET 668 2.088 -7.471 13.778 581 H ILE 669 H ILE 669 0.628 -9.274 7.247 582 HA ILE 669 HA ILE 669 3.363 -8.900 6.435 583 HB ILE 669 HB ILE 669 0.818 -8.889 4.854 584 HG12 ILE 669 1HG ILE 669 1.857 -10.842 3.658 585 HG23 ILE 669 2HG ILE 669 2.460 -7.384 3.820 586 HD11 ILE 669 1HD ILE 669 -0.008 -11.247 5.085 587 H GLN 670 H GLN 670 4.230 -7.011 5.841 588 HA GLN 670 HA GLN 670 2.550 -4.647 5.988 589 HB2 GLN 670 2HB GLN 670 5.165 -5.090 7.428 590 HB3 GLN 670 1HB GLN 670 4.347 -3.531 7.296 591 HG2 GLN 670 2HG GLN 670 2.404 -4.416 8.458 592 HG3 GLN 670 1HG GLN 670 3.154 -6.004 8.547 593 HE21 GLN 670 2HE GLN 670 5.114 -3.260 10.735 594 H LEU 671 H LEU 671 2.980 -3.164 4.558 595 HA LEU 671 HA LEU 671 4.958 -3.706 2.417 596 HB2 LEU 671 2HB LEU 671 2.555 -3.254 1.799 597 HB3 LEU 671 1HB LEU 671 2.696 -1.702 2.580 598 HG LEU 671 HG LEU 671 4.379 -1.036 0.850 599 HD13 LEU 671 1HD LEU 671 5.168 -3.213 0.096 600 HD21 LEU 671 2HD LEU 671 2.762 -0.687 -0.921 601 H THR 672 H THR 672 6.581 -2.125 1.988 602 HA THR 672 HA THR 672 6.547 0.155 3.768 603 HB THR 672 HB THR 672 8.913 -1.730 3.625 604 HG1 THR 672 1HG THR 672 6.686 -1.753 5.070 605 HG21 THR 672 2HG THR 672 9.835 -0.286 5.404 606 H TYR 673 H TYR 673 6.853 1.819 2.604 607 HA TYR 673 HA TYR 673 8.646 1.663 0.300 608 HB2 TYR 673 2HB TYR 673 6.550 3.720 0.993 609 HB3 TYR 673 1HB TYR 673 7.750 3.958 -0.261 610 HD1 TYR 673 1HD TYR 673 7.883 1.439 -1.617 611 HD2 TYR 673 2HD TYR 673 4.493 3.427 -0.032 612 HE1 TYR 673 1HE TYR 673 6.470 0.369 -3.308 613 HE2 TYR 673 2HE TYR 673 3.078 2.334 -1.726 614 HH TYR 673 HH TYR 673 4.042 -0.263 -3.559 615 H ARG 674 H ARG 674 10.484 2.775 0.233 616 HA ARG 674 HA ARG 674 11.068 4.422 2.562 617 HB2 ARG 674 2HB ARG 674 12.894 2.381 1.282 618 HB3 ARG 674 1HB ARG 674 13.384 3.515 2.531 619 HG2 ARG 674 2HG ARG 674 11.802 2.499 4.089 620 HG3 ARG 674 1HG ARG 674 11.278 1.384 2.826 621 HD2 ARG 674 2HD ARG 674 12.842 0.280 4.316 622 HD3 ARG 674 1HD ARG 674 13.552 0.469 2.719 623 HE ARG 674 HE ARG 674 14.249 2.617 4.437 624 HH12 ARG 674 1HH ARG 674 16.634 -0.653 4.251 625 HH21 ARG 674 2HH ARG 674 17.467 1.348 5.144 626 H ASP 675 H ASP 675 13.077 5.678 2.166 627 HA ASP 675 HA ASP 675 13.957 7.461 1.232 628 HB2 ASP 675 2HB ASP 675 15.137 5.678 -0.150 629 HB3 ASP 675 1HB ASP 675 13.941 5.966 -1.400 630 H GLY 676 H GLY 676 11.714 8.193 1.713 631 HA2 GLY 676 2HA GLY 676 10.400 9.266 -0.634 632 HA3 GLY 676 1HA GLY 676 9.911 9.405 1.064 633 H THR 677 H THR 677 9.613 11.648 0.775 634 HA THR 677 HA THR 677 11.917 13.268 0.181 635 HB THR 677 HB THR 677 9.201 14.079 1.272 636 HG1 THR 677 1HG THR 677 10.138 13.758 -1.398 637 HG21 THR 677 2HG THR 677 10.929 15.818 1.474 638 HA PRO 678 HA PRO 678 13.249 13.123 4.520 639 HB2 PRO 678 2HB PRO 678 14.951 15.260 4.379 640 HB3 PRO 678 1HB PRO 678 15.380 13.633 3.836 641 HG2 PRO 678 2HG PRO 678 14.465 15.982 2.228 642 HG3 PRO 678 1HG PRO 678 15.751 14.818 1.870 643 HD2 PRO 678 2HD PRO 678 13.350 14.656 0.711 644 HD3 PRO 678 1HD PRO 678 14.257 13.195 1.161 645 H TYR 679 H TYR 679 12.889 14.297 6.384 646 HA TYR 679 HA TYR 679 11.043 16.588 6.066 647 HB2 TYR 679 2HB TYR 679 11.698 15.471 8.794 648 HB3 TYR 679 1HB TYR 679 10.267 16.231 8.095 649 HD1 TYR 679 2HD TYR 679 12.144 13.036 8.110 650 HD2 TYR 679 1HD TYR 679 8.435 14.983 7.483 651 HE1 TYR 679 2HE TYR 679 11.038 10.853 7.934 652 HE2 TYR 679 1HE TYR 679 7.322 12.800 7.309 653 HH TYR 679 HH TYR 679 8.827 9.859 8.140 654 H ASN 680 H ASN 680 11.533 17.849 8.466 655 HA ASN 680 HA ASN 680 14.297 18.763 8.225 656 HB2 ASN 680 2HB ASN 680 11.941 19.914 9.744 657 HB3 ASN 680 1HB ASN 680 13.562 20.592 9.765 658 HD21 ASN 680 2HD ASN 680 11.324 22.252 7.240 659 H ASN 681 H ASN 681 13.350 16.234 9.389 660 HA ASN 681 HA ASN 681 13.727 16.271 12.217 661 HB2 ASN 681 2HB ASN 681 12.514 14.427 11.077 662 HB3 ASN 681 1HB ASN 681 13.998 13.954 10.265 663 HD21 ASN 681 2HD ASN 681 14.301 11.606 12.828 664 H GLU 682 H GLU 682 15.556 15.982 13.380 665 HA GLU 682 HA GLU 682 17.987 16.810 12.215 666 HB2 GLU 682 2HB GLU 682 17.506 15.628 14.927 667 HB3 GLU 682 1HB GLU 682 18.980 16.424 14.411 668 HG2 GLU 682 2HG GLU 682 17.725 18.491 14.057 669 HG3 GLU 682 1HG GLU 682 16.265 17.677 14.619 670 H LYS 683 H LYS 683 16.731 13.652 12.800 671 HA LYS 683 HA LYS 683 19.212 12.238 12.704 672 HB2 LYS 683 2HB LYS 683 17.187 11.276 13.682 673 HB3 LYS 683 1HB LYS 683 16.391 11.311 12.118 674 HG2 LYS 683 2HG LYS 683 18.118 9.695 11.288 675 HG3 LYS 683 1HG LYS 683 18.740 9.598 12.933 676 HD2 LYS 683 2HD LYS 683 15.926 8.935 12.093 677 HD3 LYS 683 1HD LYS 683 17.197 7.750 12.378 678 HE2 LYS 683 2HE LYS 683 17.330 8.405 14.697 679 HE3 LYS 683 1HE LYS 683 16.157 9.694 14.446 680 HZ1 LYS 683 3HZ LYS 683 15.106 7.754 15.423 681 HZ2 LYS 683 1HZ LYS 683 15.616 6.785 14.136 682 HZ3 LYS 683 2HZ LYS 683 14.516 8.018 13.875 683 H ARG 684 H ARG 684 17.417 13.833 10.364 684 HA ARG 684 HA ARG 684 17.228 13.919 8.177 685 HB2 ARG 684 2HB ARG 684 19.939 12.578 8.110 686 HB3 ARG 684 1HB ARG 684 19.138 13.164 6.669 687 HG2 ARG 684 2HG ARG 684 20.555 14.904 7.152 688 HG3 ARG 684 1HG ARG 684 19.046 15.380 7.953 689 HD2 ARG 684 2HD ARG 684 20.930 15.783 9.440 690 HD3 ARG 684 1HD ARG 684 19.904 14.494 10.074 691 HE ARG 684 HE ARG 684 22.044 13.524 8.451 692 HH12 ARG 684 1HH ARG 684 22.522 13.677 12.456 693 HH21 ARG 684 2HH ARG 684 24.064 12.464 11.100 694 H THR 685 H THR 685 15.494 12.791 8.203 695 HA THR 685 HA THR 685 15.729 9.966 7.429 696 HB THR 685 HB THR 685 13.405 11.276 8.846 697 HG1 THR 685 1HG THR 685 15.139 9.394 10.020 698 HG21 THR 685 2HG THR 685 14.079 8.393 8.237 699 HA PRO 686 HA PRO 686 13.383 11.346 3.780 700 HB2 PRO 686 2HB PRO 686 13.763 8.589 2.906 701 HB3 PRO 686 1HB PRO 686 14.344 10.072 2.132 702 HG2 PRO 686 2HG PRO 686 16.013 8.286 3.312 703 HG3 PRO 686 1HG PRO 686 16.350 10.028 3.280 704 HD2 PRO 686 2HD PRO 686 15.234 8.349 5.493 705 HD3 PRO 686 1HD PRO 686 16.436 9.660 5.554 706 H ARG 687 H ARG 687 11.213 11.289 3.964 707 HA ARG 687 HA ARG 687 9.792 9.906 5.805 708 HB2 ARG 687 2HB ARG 687 9.047 11.916 4.646 709 HB3 ARG 687 1HB ARG 687 8.877 11.012 3.157 710 HG2 ARG 687 2HG ARG 687 7.075 9.733 4.114 711 HG3 ARG 687 1HG ARG 687 7.326 10.542 5.661 712 HD2 ARG 687 2HD ARG 687 6.607 12.050 3.129 713 HD3 ARG 687 1HD ARG 687 5.436 11.443 4.300 714 HE ARG 687 HE ARG 687 6.090 12.998 5.836 715 HH12 ARG 687 1HH ARG 687 8.559 14.985 3.323 716 HH21 ARG 687 2HH ARG 687 7.583 16.124 5.165 717 H ALA 688 H ALA 688 8.646 8.037 5.906 718 HA ALA 688 HA ALA 688 8.895 6.173 3.664 719 HB1 ALA 688 1HB ALA 688 10.640 5.678 5.310 720 HB2 ALA 688 2HB ALA 688 9.440 4.387 5.236 721 HB3 ALA 688 3HB ALA 688 9.414 5.540 6.569 722 H THR 689 H THR 689 7.331 4.527 3.635 723 HA THR 689 HA THR 689 4.834 5.144 5.119 724 HB THR 689 HB THR 689 5.026 3.920 2.369 725 HG1 THR 689 1HG THR 689 5.857 6.126 2.617 726 HG21 THR 689 2HG THR 689 2.941 3.549 3.604 727 H LEU 690 H LEU 690 4.059 3.334 6.267 728 HA LEU 690 HA LEU 690 4.752 0.851 5.082 729 HB2 LEU 690 2HB LEU 690 6.302 1.088 6.894 730 HB3 LEU 690 1HB LEU 690 5.028 1.538 8.002 731 HG LEU 690 HG LEU 690 4.916 -1.122 6.705 732 HD13 LEU 690 1HD LEU 690 7.200 -0.932 7.576 733 HD21 LEU 690 2HD LEU 690 3.074 -0.318 8.066 734 H ILE 691 H ILE 691 3.110 -0.443 4.832 735 HA ILE 691 HA ILE 691 0.505 0.302 6.011 736 HB ILE 691 HB ILE 691 1.058 -1.380 3.537 737 HG12 ILE 691 1HG ILE 691 -0.123 0.306 2.251 738 HG23 ILE 691 2HG ILE 691 -0.852 -2.186 4.706 739 HD11 ILE 691 1HD ILE 691 2.166 1.606 3.672 740 H THR 692 H THR 692 -0.397 -1.155 7.368 741 HA THR 692 HA THR 692 0.830 -3.810 7.514 742 HB THR 692 HB THR 692 -0.935 -2.355 9.535 743 HG1 THR 692 1HG THR 692 1.708 -2.954 10.105 744 HG21 THR 692 2HG THR 692 0.673 -4.912 9.811 745 H PHE 693 H PHE 693 -0.294 -5.474 6.656 746 HA PHE 693 HA PHE 693 -3.031 -4.980 5.787 747 HB2 PHE 693 2HB PHE 693 -1.168 -7.277 5.141 748 HB3 PHE 693 1HB PHE 693 -2.739 -7.004 4.418 749 HD1 PHE 693 2HD PHE 693 -3.026 -4.768 3.096 750 HD2 PHE 693 1HD PHE 693 0.722 -6.456 4.160 751 HE1 PHE 693 2HE PHE 693 -1.912 -3.421 1.333 752 HE2 PHE 693 1HE PHE 693 1.828 -5.131 2.410 753 HZ PHE 693 HZ PHE 693 0.493 -3.611 0.992 754 H LEU 694 H LEU 694 -4.646 -5.629 7.010 755 HA LEU 694 HA LEU 694 -4.250 -7.844 8.885 756 HB2 LEU 694 2HB LEU 694 -6.245 -5.583 8.986 757 HB3 LEU 694 1HB LEU 694 -6.235 -6.932 10.094 758 HG LEU 694 HG LEU 694 -5.338 -5.105 11.219 759 HD13 LEU 694 1HD LEU 694 -3.068 -5.775 11.799 760 HD21 LEU 694 2HD LEU 694 -3.451 -4.656 8.916 761 H CYS 695 H CYS 695 -6.052 -9.204 9.333 762 HA CYS 695 HA CYS 695 -7.690 -9.863 6.972 763 HB2 CYS 695 2HB CYS 695 -6.317 -11.734 7.770 764 HB3 CYS 695 1HB CYS 695 -6.825 -11.465 9.427 765 H ASP 696 H ASP 696 -8.114 -7.770 9.113 766 HA ASP 696 HA ASP 696 -10.520 -8.785 10.428 767 HB2 ASP 696 2HB ASP 696 -9.223 -6.064 10.680 768 HB3 ASP 696 1HB ASP 696 -10.724 -6.521 11.466 769 H ARG 697 H ARG 697 -12.485 -8.410 9.890 770 HA ARG 697 HA ARG 697 -14.225 -8.101 8.550 771 HB2 ARG 697 2HB ARG 697 -14.869 -5.772 8.010 772 HB3 ARG 697 1HB ARG 697 -14.346 -5.955 9.669 773 HG2 ARG 697 2HG ARG 697 -12.201 -4.917 9.098 774 HG3 ARG 697 1HG ARG 697 -12.719 -4.781 7.420 775 HD2 ARG 697 2HD ARG 697 -14.547 -3.335 8.078 776 HD3 ARG 697 1HD ARG 697 -14.095 -3.505 9.773 777 HE ARG 697 HE ARG 697 -11.854 -2.555 8.688 778 HH12 ARG 697 1HH ARG 697 -14.855 0.157 8.251 779 HH21 ARG 697 2HH ARG 697 -12.576 0.867 8.272 780 H ASP 698 H ASP 698 -14.994 -6.861 6.370 781 HA ASP 698 HA ASP 698 -12.933 -7.551 4.419 782 HB2 ASP 698 2HB ASP 698 -14.638 -9.298 4.388 783 HB3 ASP 698 1HB ASP 698 -15.893 -8.085 4.163 784 H ALA 699 H ALA 699 -12.551 -6.168 2.928 785 HA ALA 699 HA ALA 699 -14.414 -3.975 2.399 786 HB1 ALA 699 1HB ALA 699 -11.450 -3.718 2.970 787 HB2 ALA 699 2HB ALA 699 -12.758 -3.118 3.985 788 HB3 ALA 699 3HB ALA 699 -12.481 -2.407 2.393 789 H GLY 700 H GLY 700 -13.655 -6.532 1.115 790 HA2 GLY 700 2HA GLY 700 -13.287 -7.284 -1.013 791 HA3 GLY 700 1HA GLY 700 -13.215 -5.608 -1.536 792 H VAL 701 H VAL 701 -11.355 -4.914 -2.267 793 HA VAL 701 HA VAL 701 -9.000 -6.542 -2.056 794 HB VAL 701 HB VAL 701 -9.268 -3.749 -3.229 795 HG13 VAL 701 1HG VAL 701 -7.195 -5.888 -3.703 796 HG21 VAL 701 2HG VAL 701 -9.562 -6.408 -4.645 797 H GLY 702 H GLY 702 -10.399 -3.963 -0.402 798 HA2 GLY 702 2HA GLY 702 -9.699 -3.545 1.841 799 HA3 GLY 702 1HA GLY 702 -8.047 -3.833 1.320 800 H PHE 703 H PHE 703 -9.460 -1.581 2.637 801 HA PHE 703 HA PHE 703 -8.520 0.472 0.795 802 HB2 PHE 703 2HB PHE 703 -10.946 0.645 1.185 803 HB3 PHE 703 1HB PHE 703 -10.677 0.660 2.922 804 HD1 PHE 703 2HD PHE 703 -9.968 2.535 -0.196 805 HD2 PHE 703 1HD PHE 703 -10.321 2.676 4.043 806 HE1 PHE 703 2HE PHE 703 -9.765 4.984 -0.263 807 HE2 PHE 703 1HE PHE 703 -10.117 5.117 3.984 808 HZ PHE 703 HZ PHE 703 -9.831 6.276 1.833 809 HA PRO 704 HA PRO 704 -5.583 1.038 4.119 810 HB2 PRO 704 2HB PRO 704 -4.244 3.143 3.061 811 HB3 PRO 704 1HB PRO 704 -4.004 1.491 2.490 812 HG2 PRO 704 2HG PRO 704 -5.598 3.700 1.276 813 HG3 PRO 704 1HG PRO 704 -4.609 2.463 0.484 814 HD2 PRO 704 2HD PRO 704 -7.349 2.361 0.677 815 HD3 PRO 704 1HD PRO 704 -6.308 0.939 0.479 816 H GLU 705 H GLU 705 -5.766 2.191 5.915 817 HA GLU 705 HA GLU 705 -7.189 4.736 5.807 818 HB2 GLU 705 2HB GLU 705 -7.189 2.598 7.910 819 HB3 GLU 705 1HB GLU 705 -7.899 4.198 8.162 820 HG2 GLU 705 2HG GLU 705 -9.429 3.763 6.284 821 HG3 GLU 705 1HG GLU 705 -8.710 2.172 6.094 822 H TYR 706 H TYR 706 -6.489 6.343 7.094 823 HA TYR 706 HA TYR 706 -3.663 6.416 7.508 824 HB2 TYR 706 2HB TYR 706 -4.908 8.311 6.589 825 HB3 TYR 706 1HB TYR 706 -5.841 8.429 8.068 826 HD1 TYR 706 1HD TYR 706 -2.142 8.012 7.660 827 HD2 TYR 706 2HD TYR 706 -5.354 10.542 8.835 828 HE1 TYR 706 1HE TYR 706 -0.528 9.690 8.450 829 HE2 TYR 706 2HE TYR 706 -3.760 12.220 9.629 830 HH TYR 706 HH TYR 706 -1.492 12.414 10.333 831 H GLN 707 H GLN 707 -2.810 5.479 9.200 832 HA GLN 707 HA GLN 707 -4.115 4.705 11.567 833 HB2 GLN 707 2HB GLN 707 -2.081 3.671 10.651 834 HB3 GLN 707 1HB GLN 707 -1.183 5.133 11.003 835 HG2 GLN 707 2HG GLN 707 -0.638 3.603 12.681 836 HG3 GLN 707 1HG GLN 707 -1.760 4.744 13.422 837 HE21 GLN 707 2HE GLN 707 -2.638 0.834 12.965 838 H GLU 708 H GLU 708 -1.399 6.974 11.257 839 HA GLU 708 HA GLU 708 -2.407 9.126 12.707 840 HB2 GLU 708 2HB GLU 708 -2.363 7.437 14.546 841 HB3 GLU 708 1HB GLU 708 -0.662 7.159 14.226 842 HG2 GLU 708 2HG GLU 708 -0.199 9.490 14.841 843 HG3 GLU 708 1HG GLU 708 -1.904 9.711 15.225 844 H GLU 709 H GLU 709 -0.625 10.678 12.916 845 HA GLU 709 HA GLU 709 1.564 9.970 11.178 846 HB2 GLU 709 2HB GLU 709 2.151 12.395 11.196 847 HB3 GLU 709 1HB GLU 709 0.576 12.039 10.517 848 HG2 GLU 709 2HG GLU 709 1.015 13.036 13.322 849 HG3 GLU 709 1HG GLU 709 0.708 14.093 11.948 850 H ASP 710 H ASP 710 3.579 9.993 11.683 851 HA ASP 710 HA ASP 710 4.386 10.470 14.453 852 HB2 ASP 710 2HB ASP 710 4.451 8.064 14.049 853 HB3 ASP 710 1HB ASP 710 5.262 8.302 12.509 854 H ASN 711 H ASN 711 6.679 11.154 14.536 855 HA ASN 711 HA ASN 711 7.090 13.301 12.791 856 HB2 ASN 711 2HB ASN 711 8.945 11.992 14.775 857 HB3 ASN 711 1HB ASN 711 9.399 13.407 13.842 858 HD21 ASN 711 2HD ASN 711 6.203 14.246 16.226 859 H SER 712 H SER 712 8.078 9.955 12.508 860 HA SER 712 HA SER 712 9.239 10.729 9.977 861 HB2 SER 712 2HB SER 712 11.160 9.274 10.297 862 HB3 SER 712 1HB SER 712 11.147 10.691 11.359 863 HG SER 712 HG SER 712 10.506 9.373 13.053 864 H THR 713 H THR 713 7.474 8.269 11.748 865 HA THR 713 HA THR 713 7.513 6.768 9.229 866 HB THR 713 HB THR 713 7.354 5.510 11.984 867 HG1 THR 713 1HG THR 713 9.343 6.341 10.403 868 HG21 THR 713 2HG THR 713 6.122 4.247 10.239 869 H TYR 714 H TYR 714 5.705 6.848 8.189 870 HA TYR 714 HA TYR 714 3.171 7.357 9.519 871 HB2 TYR 714 2HB TYR 714 3.942 7.167 6.585 872 HB3 TYR 714 1HB TYR 714 2.331 7.545 7.165 873 HD1 TYR 714 1HD TYR 714 5.768 8.819 7.993 874 HD2 TYR 714 2HD TYR 714 1.809 9.793 6.751 875 HE1 TYR 714 1HE TYR 714 6.369 11.169 7.984 876 HE2 TYR 714 2HE TYR 714 2.390 12.165 6.745 877 HH TYR 714 HH TYR 714 4.103 13.670 7.821 878 H ASN 715 H ASN 715 1.747 5.752 9.928 879 HA ASN 715 HA ASN 715 2.213 3.143 8.643 880 HB2 ASN 715 2HB ASN 715 2.303 3.033 11.222 881 HB3 ASN 715 1HB ASN 715 0.686 3.686 11.202 882 HD21 ASN 715 2HD ASN 715 1.313 -0.230 10.353 883 H PHE 716 H PHE 716 0.563 2.140 7.642 884 HA PHE 716 HA PHE 716 -1.980 3.513 7.659 885 HB2 PHE 716 2HB PHE 716 -0.488 2.481 5.293 886 HB3 PHE 716 1HB PHE 716 -2.224 2.751 5.195 887 HD1 PHE 716 1HD PHE 716 -3.104 5.053 5.585 888 HD2 PHE 716 2HD PHE 716 1.063 4.268 5.232 889 HE1 PHE 716 1HE PHE 716 -2.691 7.444 5.199 890 HE2 PHE 716 2HE PHE 716 1.479 6.662 4.841 891 HZ PHE 716 HZ PHE 716 -0.403 8.247 4.830 892 H ARG 717 H ARG 717 -3.696 2.436 7.842 893 HA ARG 717 HA ARG 717 -3.443 -0.317 8.785 894 HB2 ARG 717 2HB ARG 717 -4.426 1.576 10.122 895 HB3 ARG 717 1HB ARG 717 -5.710 1.673 8.938 896 HG2 ARG 717 2HG ARG 717 -6.510 0.501 10.833 897 HG3 ARG 717 1HG ARG 717 -6.318 -0.662 9.521 898 HD2 ARG 717 2HD ARG 717 -4.239 -1.442 10.448 899 HD3 ARG 717 1HD ARG 717 -4.287 -0.203 11.706 900 HE ARG 717 HE ARG 717 -6.641 -1.698 11.807 901 HH12 ARG 717 1HH ARG 717 -3.500 -3.286 13.752 902 HH21 ARG 717 2HH ARG 717 -5.707 -4.000 14.211 903 H TRP 718 H TRP 718 -3.940 -1.856 7.204 904 HA TRP 718 HA TRP 718 -5.948 -1.104 5.170 905 HB2 TRP 718 2HB TRP 718 -3.525 -1.294 4.450 906 HB3 TRP 718 1HB TRP 718 -3.618 -2.998 4.846 907 HD1 TRP 718 HD TRP 718 -6.096 -4.018 3.368 908 HE1 TRP 718 1HE TRP 718 -6.302 -3.864 0.775 909 HE3 TRP 718 3HE TRP 718 -2.724 -0.251 2.434 910 HZ2 TRP 718 2HZ TRP 718 -5.215 -2.407 -1.304 911 HZ3 TRP 718 3HZ TRP 718 -2.381 0.439 0.124 912 HH2 TRP 718 HH TRP 718 -3.592 -0.605 -1.708 913 H TYR 719 H TYR 719 -7.753 -2.303 5.421 914 HA TYR 719 HA TYR 719 -7.526 -4.981 6.599 915 HB2 TYR 719 2HB TYR 719 -9.950 -3.199 6.258 916 HB3 TYR 719 1HB TYR 719 -9.981 -4.826 6.929 917 HD1 TYR 719 2HD TYR 719 -8.444 -5.232 8.958 918 HD2 TYR 719 1HD TYR 719 -9.705 -1.390 7.697 919 HE1 TYR 719 2HE TYR 719 -7.992 -4.355 11.208 920 HE2 TYR 719 1HE TYR 719 -9.255 -0.497 9.938 921 HH TYR 719 HH TYR 719 -9.089 -1.357 12.252 922 H THR 720 H THR 720 -7.345 -6.524 5.119 923 HA THR 720 HA THR 720 -9.071 -6.336 2.807 924 HB THR 720 HB THR 720 -7.075 -5.425 1.904 925 HG1 THR 720 1HG THR 720 -7.293 -6.548 0.227 926 HG21 THR 720 2HG THR 720 -4.944 -6.610 1.902 927 H SER 721 H SER 721 -9.751 -8.185 1.917 928 HA SER 721 HA SER 721 -9.733 -10.483 3.549 929 HB2 SER 721 2HB SER 721 -11.630 -9.851 2.099 930 HB3 SER 721 1HB SER 721 -10.619 -10.108 0.680 931 HG SER 721 HG SER 721 -12.025 -11.853 2.148 932 H TYR 722 H TYR 722 -7.702 -9.314 0.940 933 HA TYR 722 HA TYR 722 -6.679 -11.807 0.068 934 HB2 TYR 722 2HB TYR 722 -5.563 -9.023 -0.143 935 HB3 TYR 722 1HB TYR 722 -4.737 -10.427 -0.784 936 HD1 TYR 722 2HD TYR 722 -5.852 -11.739 -2.619 937 HD2 TYR 722 1HD TYR 722 -7.269 -7.937 -1.360 938 HE1 TYR 722 2HE TYR 722 -7.021 -11.468 -4.769 939 HE2 TYR 722 1HE TYR 722 -8.447 -7.677 -3.514 940 HH TYR 722 HH TYR 722 -8.969 -10.174 -5.641 941 H ALA 723 H ALA 723 -5.855 -9.691 2.711 942 HA ALA 723 HA ALA 723 -3.205 -10.763 3.140 943 HB1 ALA 723 1HB ALA 723 -4.863 -8.955 4.879 944 HB2 ALA 723 2HB ALA 723 -3.760 -8.449 3.598 945 HB3 ALA 723 3HB ALA 723 -3.136 -9.278 5.029 946 H CYS 724 H CYS 724 -5.607 -12.554 3.391 947 HA CYS 724 HA CYS 724 -5.074 -13.360 6.139 948 HB2 CYS 724 2HB CYS 724 -7.298 -12.239 5.751 949 HB3 CYS 724 1HB CYS 724 -7.718 -13.616 4.741 950 HA PRO 725 HA PRO 725 -4.294 -17.118 3.825 951 HB2 PRO 725 2HB PRO 725 -3.166 -18.505 5.911 952 HB3 PRO 725 1HB PRO 725 -2.289 -17.343 4.918 953 HG2 PRO 725 2HG PRO 725 -3.180 -17.103 7.693 954 HG3 PRO 725 1HG PRO 725 -1.993 -16.137 6.811 955 HD2 PRO 725 2HD PRO 725 -4.723 -15.482 7.443 956 HD3 PRO 725 1HD PRO 725 -3.509 -14.497 6.604 Start of MODEL 5 1 H1 GLU 578 1HT GLU 578 5.667 -12.038 21.033 2 H2 GLU 578 2HT GLU 578 4.149 -11.749 20.336 3 H3 GLU 578 3HT GLU 578 5.447 -12.230 19.364 4 HA GLU 578 HA GLU 578 4.249 -13.792 21.564 5 HB2 GLU 578 2HB GLU 578 3.964 -14.260 18.562 6 HB3 GLU 578 1HB GLU 578 3.390 -15.332 19.809 7 HG2 GLU 578 2HG GLU 578 1.543 -14.080 18.923 8 HG3 GLU 578 1HG GLU 578 1.820 -13.596 20.585 9 H ALA 579 H ALA 579 6.419 -13.840 18.738 10 HA ALA 579 HA ALA 579 7.962 -15.930 19.933 11 HB1 ALA 579 1HB ALA 579 9.591 -15.387 18.138 12 HB2 ALA 579 2HB ALA 579 8.631 -13.973 17.707 13 HB3 ALA 579 3HB ALA 579 7.966 -15.593 17.481 14 H GLU 580 H GLU 580 8.479 -15.293 21.924 15 HA GLU 580 HA GLU 580 9.287 -14.201 23.666 16 HB2 GLU 580 2HB GLU 580 10.976 -12.695 21.634 17 HB3 GLU 580 1HB GLU 580 11.105 -12.429 23.360 18 HG2 GLU 580 2HG GLU 580 12.895 -13.853 22.729 19 HG3 GLU 580 1HG GLU 580 11.737 -14.838 23.598 20 H ALA 581 H ALA 581 9.591 -11.764 24.527 21 HA ALA 581 HA ALA 581 6.974 -10.632 24.014 22 HB1 ALA 581 1HB ALA 581 7.412 -9.273 25.987 23 HB2 ALA 581 2HB ALA 581 9.054 -9.900 26.066 24 HB3 ALA 581 3HB ALA 581 7.682 -10.982 26.322 25 H GLU 582 H GLU 582 6.618 -8.798 22.972 26 HA GLU 582 HA GLU 582 6.854 -6.830 21.908 27 HB2 GLU 582 2HB GLU 582 8.240 -6.175 23.912 28 HB3 GLU 582 1HB GLU 582 9.665 -6.684 23.028 29 HG2 GLU 582 2HG GLU 582 9.439 -4.285 22.928 30 HG3 GLU 582 1HG GLU 582 9.188 -4.977 21.324 31 H PHE 583 H PHE 583 8.766 -9.484 21.294 32 HA PHE 583 HA PHE 583 9.856 -8.343 18.861 33 HB2 PHE 583 2HB PHE 583 11.433 -9.589 20.288 34 HB3 PHE 583 1HB PHE 583 10.418 -11.019 20.152 35 HD1 PHE 583 1HD PHE 583 12.581 -8.701 18.246 36 HD2 PHE 583 2HD PHE 583 10.605 -12.474 18.286 37 HE1 PHE 583 1HE PHE 583 13.816 -9.367 16.226 38 HE2 PHE 583 2HE PHE 583 11.842 -13.142 16.264 39 HZ PHE 583 HZ PHE 583 13.446 -11.590 15.235 40 H LEU 584 H LEU 584 9.082 -8.780 16.975 41 HA LEU 584 HA LEU 584 7.463 -11.148 16.537 42 HB2 LEU 584 2HB LEU 584 6.848 -8.365 15.486 43 HB3 LEU 584 1HB LEU 584 6.036 -9.806 14.946 44 HG LEU 584 HG LEU 584 5.282 -10.018 17.434 45 HD13 LEU 584 1HD LEU 584 6.717 -8.378 18.411 46 HD21 LEU 584 2HD LEU 584 4.179 -7.869 15.640 47 H SER 585 H SER 585 8.115 -12.206 14.717 48 HA SER 585 HA SER 585 10.593 -11.394 13.606 49 HB2 SER 585 2HB SER 585 10.097 -13.762 13.929 50 HB3 SER 585 1HB SER 585 8.729 -13.647 12.820 51 HG SER 585 HG SER 585 10.056 -13.962 11.260 52 H ARG 586 H ARG 586 10.961 -10.120 11.911 53 HA ARG 586 HA ARG 586 8.871 -9.995 9.928 54 HB2 ARG 586 2HB ARG 586 8.852 -7.893 11.148 55 HB3 ARG 586 1HB ARG 586 10.568 -7.658 10.851 56 HG2 ARG 586 2HG ARG 586 8.620 -7.892 8.600 57 HG3 ARG 586 1HG ARG 586 8.811 -6.355 9.400 58 HD2 ARG 586 2HD ARG 586 10.981 -7.969 8.034 59 HD3 ARG 586 1HD ARG 586 10.204 -6.545 7.357 60 HE ARG 586 HE ARG 586 11.144 -5.417 9.437 61 HH12 ARG 586 1HH ARG 586 14.347 -7.551 8.118 62 HH21 ARG 586 2HH ARG 586 14.671 -5.491 9.268 63 H THR 587 H THR 587 9.399 -10.758 8.117 64 HA THR 587 HA THR 587 12.182 -10.554 7.210 65 HB THR 587 HB THR 587 10.114 -12.635 6.415 66 HG1 THR 587 1HG THR 587 10.596 -13.467 8.277 67 HG21 THR 587 2HG THR 587 11.789 -12.238 4.741 68 H GLU 588 H GLU 588 12.443 -9.556 5.137 69 HA GLU 588 HA GLU 588 9.932 -8.662 3.965 70 HB2 GLU 588 2HB GLU 588 11.144 -6.819 2.926 71 HB3 GLU 588 1HB GLU 588 11.345 -6.787 4.666 72 HG2 GLU 588 2HG GLU 588 13.409 -7.876 2.750 73 HG3 GLU 588 1HG GLU 588 13.380 -6.211 3.311 74 H GLY 589 H GLY 589 9.596 -8.696 1.806 75 HA2 GLY 589 2HA GLY 589 11.334 -10.515 0.284 76 HA3 GLY 589 1HA GLY 589 9.582 -10.564 0.150 77 H ASP 590 H ASP 590 10.483 -10.251 -2.168 78 HA ASP 590 HA ASP 590 10.393 -7.390 -2.716 79 HB2 ASP 590 2HB ASP 590 12.753 -7.996 -2.681 80 HB3 ASP 590 1HB ASP 590 12.456 -9.308 -3.811 81 H ASN 591 H ASN 591 9.641 -6.866 -4.729 82 HA ASN 591 HA ASN 591 8.245 -6.904 -6.435 83 HB2 ASN 591 2HB ASN 591 9.428 -9.638 -6.933 84 HB3 ASN 591 1HB ASN 591 8.264 -8.892 -8.022 85 HD21 ASN 591 2HD ASN 591 11.870 -8.241 -8.950 86 H CYS 592 H CYS 592 6.724 -6.797 -4.675 87 HA CYS 592 HA CYS 592 4.562 -7.000 -4.081 88 HB2 CYS 592 2HB CYS 592 4.352 -8.728 -6.546 89 HB3 CYS 592 1HB CYS 592 3.003 -7.992 -5.681 90 H THR 593 H THR 593 6.593 -9.220 -3.298 91 HA THR 593 HA THR 593 4.595 -11.002 -2.183 92 HB THR 593 HB THR 593 6.131 -12.937 -2.615 93 HG1 THR 593 1HG THR 593 7.339 -11.191 -4.490 94 HG21 THR 593 2HG THR 593 4.169 -12.589 -4.068 95 H VAL 594 H VAL 594 5.453 -12.198 -0.358 96 HA VAL 594 HA VAL 594 7.960 -11.338 0.722 97 HB VAL 594 HB VAL 594 6.578 -9.650 1.701 98 HG13 VAL 594 1HG VAL 594 4.550 -10.166 3.005 99 HG21 VAL 594 2HG VAL 594 6.764 -10.082 4.041 100 H PHE 595 H PHE 595 8.865 -12.789 2.087 101 HA PHE 595 HA PHE 595 7.412 -15.259 2.566 102 HB2 PHE 595 2HB PHE 595 9.367 -16.541 1.832 103 HB3 PHE 595 1HB PHE 595 8.742 -15.528 0.533 104 HD1 PHE 595 1HD PHE 595 10.013 -13.538 -0.207 105 HD2 PHE 595 2HD PHE 595 11.561 -16.173 2.755 106 HE1 PHE 595 1HE PHE 595 12.253 -12.555 -0.497 107 HE2 PHE 595 2HE PHE 595 13.788 -15.192 2.470 108 HZ PHE 595 HZ PHE 595 14.139 -13.380 0.839 109 H ASP 596 H ASP 596 8.192 -16.348 4.373 110 HA ASP 596 HA ASP 596 10.119 -14.838 6.066 111 HB2 ASP 596 2HB ASP 596 7.707 -14.776 6.905 112 HB3 ASP 596 1HB ASP 596 7.830 -16.516 7.069 113 H SER 597 H SER 597 11.851 -15.965 6.664 114 HA SER 597 HA SER 597 12.258 -18.563 5.648 115 HB2 SER 597 2HB SER 597 13.879 -17.020 7.660 116 HB3 SER 597 1HB SER 597 14.435 -18.419 6.733 117 HG SER 597 HG SER 597 14.301 -17.271 4.894 118 H GLN 598 H GLN 598 11.577 -17.408 8.956 119 HA GLN 598 HA GLN 598 11.910 -20.079 9.869 120 HB2 GLN 598 2HB GLN 598 11.253 -19.219 12.173 121 HB3 GLN 598 1HB GLN 598 12.786 -18.719 11.491 122 HG2 GLN 598 2HG GLN 598 10.315 -16.986 11.455 123 HG3 GLN 598 1HG GLN 598 11.453 -16.994 12.797 124 HE21 GLN 598 2HE GLN 598 12.254 -14.958 9.394 125 H ALA 599 H ALA 599 9.138 -18.059 9.368 126 HA ALA 599 HA ALA 599 7.386 -20.095 10.438 127 HB1 ALA 599 1HB ALA 599 6.758 -17.710 10.528 128 HB2 ALA 599 2HB ALA 599 5.567 -18.673 9.653 129 HB3 ALA 599 3HB ALA 599 6.714 -17.672 8.769 130 H GLY 600 H GLY 600 8.928 -19.465 7.471 131 HA2 GLY 600 2HA GLY 600 8.955 -20.627 5.457 132 HA3 GLY 600 1HA GLY 600 8.090 -21.921 6.282 133 H PHE 601 H PHE 601 7.268 -18.596 5.704 134 HA PHE 601 HA PHE 601 4.722 -19.470 4.531 135 HB2 PHE 601 2HB PHE 601 4.607 -18.512 6.833 136 HB3 PHE 601 1HB PHE 601 5.351 -17.049 6.224 137 HD1 PHE 601 1HD PHE 601 2.336 -19.146 6.156 138 HD2 PHE 601 2HD PHE 601 4.052 -15.394 5.108 139 HE1 PHE 601 1HE PHE 601 0.099 -18.260 5.702 140 HE2 PHE 601 2HE PHE 601 1.817 -14.505 4.662 141 HZ PHE 601 HZ PHE 601 -0.168 -15.942 4.959 142 H SER 602 H SER 602 4.031 -18.289 2.709 143 HA SER 602 HA SER 602 5.722 -16.143 1.773 144 HB2 SER 602 2HB SER 602 5.513 -17.184 -0.551 145 HB3 SER 602 1HB SER 602 6.602 -18.004 0.569 146 HG SER 602 HG SER 602 5.284 -19.636 0.721 147 H PHE 603 H PHE 603 4.578 -14.488 0.941 148 HA PHE 603 HA PHE 603 1.713 -14.952 0.478 149 HB2 PHE 603 2HB PHE 603 2.641 -13.821 2.773 150 HB3 PHE 603 1HB PHE 603 2.576 -12.448 1.719 151 HD1 PHE 603 1HD PHE 603 0.487 -15.115 3.077 152 HD2 PHE 603 2HD PHE 603 0.584 -11.387 1.073 153 HE1 PHE 603 1HE PHE 603 -1.925 -14.912 3.388 154 HE2 PHE 603 2HE PHE 603 -1.855 -11.182 1.384 155 HZ PHE 603 HZ PHE 603 -3.092 -12.944 2.541 156 H ASP 604 H ASP 604 0.837 -13.605 -1.080 157 HA ASP 604 HA ASP 604 2.646 -11.678 -2.368 158 HB2 ASP 604 2HB ASP 604 1.857 -12.306 -4.587 159 HB3 ASP 604 1HB ASP 604 2.482 -13.735 -3.776 160 H LEU 605 H LEU 605 1.615 -9.862 -3.305 161 HA LEU 605 HA LEU 605 -1.258 -9.568 -2.722 162 HB2 LEU 605 2HB LEU 605 0.851 -7.511 -2.006 163 HB3 LEU 605 1HB LEU 605 -0.886 -7.258 -1.946 164 HG LEU 605 HG LEU 605 0.582 -9.266 -0.242 165 HD13 LEU 605 1HD LEU 605 1.221 -6.998 0.307 166 HD21 LEU 605 2HD LEU 605 -2.256 -8.233 -0.191 167 H THR 606 H THR 606 0.125 -10.077 -5.249 168 HA THR 606 HA THR 606 0.539 -7.904 -6.787 169 HB THR 606 HB THR 606 -0.652 -10.569 -7.577 170 HG1 THR 606 1HG THR 606 1.372 -11.293 -7.491 171 HG21 THR 606 2HG THR 606 -0.760 -8.860 -9.328 172 HA PRO 607 HA PRO 607 -4.282 -7.846 -8.088 173 HB2 PRO 607 2HB PRO 607 -5.508 -8.755 -5.537 174 HB3 PRO 607 1HB PRO 607 -5.984 -9.123 -7.199 175 HG2 PRO 607 2HG PRO 607 -4.798 -10.972 -5.723 176 HG3 PRO 607 1HG PRO 607 -4.362 -10.778 -7.432 177 HD2 PRO 607 2HD PRO 607 -2.920 -9.809 -4.992 178 HD3 PRO 607 1HD PRO 607 -2.261 -10.622 -6.429 179 H LEU 608 H LEU 608 -2.792 -6.973 -5.154 180 HA LEU 608 HA LEU 608 -4.634 -4.958 -4.303 181 HB2 LEU 608 2HB LEU 608 -1.807 -5.648 -3.504 182 HB3 LEU 608 1HB LEU 608 -2.705 -4.281 -2.893 183 HG LEU 608 HG LEU 608 -2.566 -6.249 -1.335 184 HD13 LEU 608 1HD LEU 608 -4.176 -4.604 -1.008 185 HD21 LEU 608 2HD LEU 608 -4.040 -8.104 -1.650 186 H THR 609 H THR 609 -2.201 -5.142 -6.697 187 HA THR 609 HA THR 609 -1.300 -2.417 -6.536 188 HB THR 609 HB THR 609 -0.998 -4.401 -8.805 189 HG1 THR 609 1HG THR 609 -0.161 -4.630 -6.385 190 HG21 THR 609 2HG THR 609 -0.465 -2.049 -9.377 191 H LYS 610 H LYS 610 -2.140 -0.612 -7.614 192 HA LYS 610 HA LYS 610 -4.077 -1.090 -9.755 193 HB2 LYS 610 2HB LYS 610 -4.304 0.954 -7.585 194 HB3 LYS 610 1HB LYS 610 -5.311 0.910 -9.006 195 HG2 LYS 610 2HG LYS 610 -5.948 -1.495 -8.140 196 HG3 LYS 610 1HG LYS 610 -5.246 -0.867 -6.655 197 HD2 LYS 610 2HD LYS 610 -6.752 0.953 -6.529 198 HD3 LYS 610 1HD LYS 610 -7.398 0.608 -8.130 199 HE2 LYS 610 2HE LYS 610 -8.260 -1.527 -7.308 200 HE3 LYS 610 1HE LYS 610 -7.651 -1.147 -5.694 201 HZ1 LYS 610 3HZ LYS 610 -9.691 0.389 -7.199 202 HZ2 LYS 610 1HZ LYS 610 -9.120 0.799 -5.674 203 HZ3 LYS 610 2HZ LYS 610 -10.001 -0.617 -5.891 204 H LYS 611 H LYS 611 -3.824 0.191 -11.476 205 HA LYS 611 HA LYS 611 -1.605 1.990 -11.499 206 HB2 LYS 611 2HB LYS 611 -2.235 2.431 -13.897 207 HB3 LYS 611 1HB LYS 611 -1.918 0.751 -13.528 208 HG2 LYS 611 2HG LYS 611 -3.781 0.885 -15.036 209 HG3 LYS 611 1HG LYS 611 -4.379 0.352 -13.473 210 HD2 LYS 611 2HD LYS 611 -5.163 2.629 -13.013 211 HD3 LYS 611 1HD LYS 611 -4.540 3.170 -14.566 212 HE2 LYS 611 2HE LYS 611 -6.682 1.096 -14.136 213 HE3 LYS 611 1HE LYS 611 -6.948 2.761 -14.644 214 HZ1 LYS 611 3HZ LYS 611 -5.668 2.288 -16.669 215 HZ2 LYS 611 1HZ LYS 611 -6.992 1.262 -16.521 216 HZ3 LYS 611 2HZ LYS 611 -5.448 0.697 -16.181 217 H ASP 612 H ASP 612 -4.813 2.238 -10.692 218 HA ASP 612 HA ASP 612 -5.014 5.119 -11.159 219 HB2 ASP 612 2HB ASP 612 -6.977 3.675 -11.584 220 HB3 ASP 612 1HB ASP 612 -6.944 3.159 -9.905 221 H ALA 613 H ALA 613 -3.917 2.997 -8.848 222 HA ALA 613 HA ALA 613 -3.129 3.093 -6.764 223 HB1 ALA 613 1HB ALA 613 -1.898 5.069 -7.588 224 HB2 ALA 613 2HB ALA 613 -2.294 5.198 -5.877 225 HB3 ALA 613 3HB ALA 613 -3.229 6.096 -7.068 226 H TYR 614 H TYR 614 -3.504 3.970 -4.553 227 HA TYR 614 HA TYR 614 -6.395 4.134 -4.037 228 HB2 TYR 614 2HB TYR 614 -4.091 3.303 -2.261 229 HB3 TYR 614 1HB TYR 614 -5.769 3.373 -1.737 230 HD1 TYR 614 2HD TYR 614 -3.424 1.676 -4.079 231 HD2 TYR 614 1HD TYR 614 -7.245 1.579 -2.193 232 HE1 TYR 614 2HE TYR 614 -3.778 -0.563 -4.928 233 HE2 TYR 614 1HE TYR 614 -7.585 -0.705 -3.042 234 HH TYR 614 HH TYR 614 -5.029 -2.476 -4.464 235 H LYS 615 H LYS 615 -7.204 5.875 -2.894 236 HA LYS 615 HA LYS 615 -5.217 7.795 -2.047 237 HB2 LYS 615 2HB LYS 615 -6.611 9.643 -2.912 238 HB3 LYS 615 1HB LYS 615 -5.971 8.593 -4.146 239 HG2 LYS 615 2HG LYS 615 -8.095 8.859 -4.925 240 HG3 LYS 615 1HG LYS 615 -8.267 7.414 -3.918 241 HD2 LYS 615 2HD LYS 615 -10.141 8.974 -3.579 242 HD3 LYS 615 1HD LYS 615 -9.197 8.728 -2.108 243 HE2 LYS 615 2HE LYS 615 -8.097 10.829 -2.378 244 HE3 LYS 615 1HE LYS 615 -8.803 11.064 -3.980 245 HZ1 LYS 615 3HZ LYS 615 -10.959 11.252 -2.952 246 HZ2 LYS 615 1HZ LYS 615 -9.929 12.366 -2.273 247 HZ3 LYS 615 2HZ LYS 615 -10.338 11.006 -1.410 248 H VAL 616 H VAL 616 -5.343 8.358 -0.096 249 HA VAL 616 HA VAL 616 -7.849 7.899 1.423 250 HB VAL 616 HB VAL 616 -5.057 8.153 2.524 251 HG13 VAL 616 1HG VAL 616 -7.564 7.020 3.740 252 HG21 VAL 616 2HG VAL 616 -4.973 5.694 2.698 253 H GLU 617 H GLU 617 -8.791 9.823 1.905 254 HA GLU 617 HA GLU 617 -6.962 12.079 2.229 255 HB2 GLU 617 2HB GLU 617 -8.802 13.612 1.726 256 HB3 GLU 617 1HB GLU 617 -8.488 12.504 0.406 257 HG2 GLU 617 2HG GLU 617 -10.430 11.206 0.981 258 HG3 GLU 617 1HG GLU 617 -10.707 12.204 2.410 259 H THR 618 H THR 618 -7.010 13.356 3.919 260 HA THR 618 HA THR 618 -8.952 12.834 6.027 261 HB THR 618 HB THR 618 -7.149 13.199 7.701 262 HG1 THR 618 1HG THR 618 -5.426 13.196 5.441 263 HG21 THR 618 2HG THR 618 -7.588 10.874 7.019 264 H ASP 619 H ASP 619 -8.483 14.895 7.628 265 HA ASP 619 HA ASP 619 -9.107 17.178 6.012 266 HB2 ASP 619 2HB ASP 619 -8.520 17.011 8.974 267 HB3 ASP 619 1HB ASP 619 -9.097 18.447 8.147 268 H LYS 620 H LYS 620 -6.296 15.816 7.267 269 HA LYS 620 HA LYS 620 -4.804 18.303 7.044 270 HB2 LYS 620 2HB LYS 620 -3.945 15.584 8.035 271 HB3 LYS 620 1HB LYS 620 -2.953 17.032 8.080 272 HG2 LYS 620 2HG LYS 620 -5.577 16.669 9.544 273 HG3 LYS 620 1HG LYS 620 -3.978 16.521 10.266 274 HD2 LYS 620 2HD LYS 620 -5.033 19.042 8.949 275 HD3 LYS 620 1HD LYS 620 -5.096 18.724 10.677 276 HE2 LYS 620 2HE LYS 620 -2.546 18.755 9.073 277 HE3 LYS 620 1HE LYS 620 -3.169 20.151 9.947 278 HZ1 LYS 620 3HZ LYS 620 -2.550 17.542 11.275 279 HZ2 LYS 620 1HZ LYS 620 -2.946 18.978 12.004 280 HZ3 LYS 620 2HZ LYS 620 -1.470 18.810 11.226 281 H TYR 621 H TYR 621 -4.473 14.951 5.837 282 HA TYR 621 HA TYR 621 -3.138 16.046 3.424 283 HB2 TYR 621 2HB TYR 621 -2.194 13.613 4.950 284 HB3 TYR 621 1HB TYR 621 -1.484 14.275 3.493 285 HD1 TYR 621 2HD TYR 621 -0.262 16.433 3.618 286 HD2 TYR 621 1HD TYR 621 -1.664 14.453 7.100 287 HE1 TYR 621 2HE TYR 621 1.261 17.780 4.999 288 HE2 TYR 621 1HE TYR 621 -0.153 15.784 8.486 289 HH TYR 621 HH TYR 621 1.939 17.054 8.206 290 H GLU 622 H GLU 622 -3.292 14.695 1.557 291 HA GLU 622 HA GLU 622 -4.956 12.334 1.913 292 HB2 GLU 622 2HB GLU 622 -5.624 12.518 -0.452 293 HB3 GLU 622 1HB GLU 622 -6.146 13.901 0.486 294 HG2 GLU 622 2HG GLU 622 -4.383 15.246 -0.447 295 HG3 GLU 622 1HG GLU 622 -3.729 13.837 -1.290 296 H PHE 623 H PHE 623 -4.174 10.502 1.295 297 HA PHE 623 HA PHE 623 -1.349 10.527 0.463 298 HB2 PHE 623 2HB PHE 623 -2.880 8.418 1.985 299 HB3 PHE 623 1HB PHE 623 -1.155 8.420 1.646 300 HD1 PHE 623 2HD PHE 623 -3.832 9.854 3.680 301 HD2 PHE 623 1HD PHE 623 0.344 9.859 2.883 302 HE1 PHE 623 2HE PHE 623 -3.438 11.044 5.794 303 HE2 PHE 623 1HE PHE 623 0.745 11.050 4.995 304 HZ PHE 623 HZ PHE 623 -1.144 11.643 6.451 305 H HIS 624 H HIS 624 -0.877 9.601 -1.445 306 HA HIS 624 HA HIS 624 -2.898 7.822 -2.582 307 HB2 HIS 624 2HB HIS 624 -0.704 9.420 -3.956 308 HB3 HIS 624 1HB HIS 624 -1.792 8.306 -4.777 309 HD1 HIS 624 1HD HIS 624 -3.915 9.345 -5.705 310 HD2 HIS 624 2HD HIS 624 -2.153 11.732 -2.773 311 HE1 HIS 624 1HE HIS 624 -5.224 11.478 -5.668 312 HE2 HIS 624 2HE HIS 624 -4.304 12.808 -3.784 313 H ILE 625 H ILE 625 -2.409 5.776 -2.555 314 HA ILE 625 HA ILE 625 0.404 4.960 -2.105 315 HB ILE 625 HB ILE 625 -2.058 3.797 -0.766 316 HG12 ILE 625 1HG ILE 625 0.114 5.544 0.416 317 HG23 ILE 625 2HG ILE 625 0.873 3.214 -0.326 318 HD11 ILE 625 1HD ILE 625 -2.348 4.409 1.709 319 H ASN 626 H ASN 626 0.955 2.946 -3.027 320 HA ASN 626 HA ASN 626 -1.108 1.370 -4.287 321 HB2 ASN 626 2HB ASN 626 -0.156 3.037 -6.017 322 HB3 ASN 626 1HB ASN 626 1.389 2.208 -5.785 323 HD21 ASN 626 2HD ASN 626 0.245 0.674 -8.714 324 H VAL 627 H VAL 627 -0.314 -0.823 -4.560 325 HA VAL 627 HA VAL 627 1.481 -1.364 -2.374 326 HB VAL 627 HB VAL 627 -0.160 -3.291 -4.040 327 HG13 VAL 627 1HG VAL 627 0.305 -4.964 -2.307 328 HG21 VAL 627 2HG VAL 627 -1.474 -3.371 -1.872 329 H CYS 628 H CYS 628 1.714 -1.348 -5.675 330 HA CYS 628 HA CYS 628 4.517 -2.068 -5.509 331 HB2 CYS 628 2HB CYS 628 2.627 -3.387 -7.489 332 HB3 CYS 628 1HB CYS 628 4.376 -3.523 -7.521 333 H GLY 629 H GLY 629 5.673 -0.841 -6.902 334 HA2 GLY 629 2HA GLY 629 6.136 0.407 -8.786 335 HA3 GLY 629 1HA GLY 629 4.461 0.238 -9.285 336 HA PRO 630 HA PRO 630 4.841 4.452 -7.660 337 HB2 PRO 630 2HB PRO 630 4.128 5.793 -9.827 338 HB3 PRO 630 1HB PRO 630 5.745 5.102 -9.675 339 HG2 PRO 630 2HG PRO 630 3.453 4.193 -11.317 340 HG3 PRO 630 1HG PRO 630 5.190 4.022 -11.621 341 HD2 PRO 630 2HD PRO 630 3.422 2.074 -10.538 342 HD3 PRO 630 1HD PRO 630 5.185 1.954 -10.690 343 H VAL 631 H VAL 631 3.295 6.096 -7.412 344 HA VAL 631 HA VAL 631 0.519 5.173 -7.625 345 HB VAL 631 HB VAL 631 -0.045 6.923 -5.955 346 HG13 VAL 631 1HG VAL 631 2.141 5.058 -5.146 347 HG21 VAL 631 2HG VAL 631 2.936 7.365 -5.757 348 H SER 632 H SER 632 -0.838 6.194 -8.898 349 HA SER 632 HA SER 632 0.219 8.334 -10.517 350 HB2 SER 632 2HB SER 632 -2.568 7.172 -10.422 351 HB3 SER 632 1HB SER 632 -1.929 8.230 -11.684 352 HG SER 632 HG SER 632 -1.579 5.548 -11.317 353 H VAL 633 H VAL 633 0.098 10.419 -10.106 354 HA VAL 633 HA VAL 633 -2.082 11.645 -8.636 355 HB VAL 633 HB VAL 633 0.763 12.230 -7.787 356 HG13 VAL 633 1HG VAL 633 -1.841 12.840 -6.429 357 HG21 VAL 633 2HG VAL 633 0.479 10.938 -5.713 358 H GLY 634 H GLY 634 -1.841 14.056 -8.964 359 HA2 GLY 634 2HA GLY 634 -0.468 14.601 -11.462 360 HA3 GLY 634 1HA GLY 634 -1.598 15.669 -10.637 361 H ALA 635 H ALA 635 -0.270 15.442 -8.082 362 HA ALA 635 HA ALA 635 1.789 17.456 -8.568 363 HB1 ALA 635 1HB ALA 635 1.513 18.042 -6.228 364 HB2 ALA 635 2HB ALA 635 0.455 16.651 -5.993 365 HB3 ALA 635 3HB ALA 635 -0.055 17.975 -7.037 366 H CYS 636 H CYS 636 2.033 14.277 -8.470 367 HA CYS 636 HA CYS 636 4.477 14.330 -6.839 368 HB2 CYS 636 2HB CYS 636 2.533 12.013 -6.996 369 HB3 CYS 636 1HB CYS 636 4.025 12.066 -6.082 370 HA PRO 637 HA PRO 637 6.384 12.783 -10.520 371 HB2 PRO 637 2HB PRO 637 8.434 11.334 -9.383 372 HB3 PRO 637 1HB PRO 637 8.467 13.092 -9.562 373 HG2 PRO 637 2HG PRO 637 7.762 11.442 -7.171 374 HG3 PRO 637 1HG PRO 637 8.737 12.920 -7.259 375 HD2 PRO 637 2HD PRO 637 6.185 12.964 -6.432 376 HD3 PRO 637 1HD PRO 637 6.870 14.289 -7.398 377 HA PRO 638 HA PRO 638 4.485 8.763 -10.926 378 HB2 PRO 638 2HB PRO 638 5.471 8.062 -13.342 379 HB3 PRO 638 1HB PRO 638 4.250 9.326 -13.148 380 HG2 PRO 638 2HG PRO 638 7.210 9.593 -13.478 381 HG3 PRO 638 1HG PRO 638 5.915 10.496 -14.285 382 HD2 PRO 638 2HD PRO 638 7.277 11.506 -12.185 383 HD3 PRO 638 1HD PRO 638 5.560 11.866 -12.456 384 H ASP 639 H ASP 639 7.190 8.966 -9.591 385 HA ASP 639 HA ASP 639 7.847 6.129 -9.856 386 HB2 ASP 639 2HB ASP 639 9.611 7.384 -11.058 387 HB3 ASP 639 1HB ASP 639 9.908 8.351 -9.625 388 H SER 640 H SER 640 6.490 8.271 -7.998 389 HA SER 640 HA SER 640 7.728 7.412 -5.516 390 HB2 SER 640 2HB SER 640 6.098 8.999 -4.450 391 HB3 SER 640 1HB SER 640 7.139 9.793 -5.625 392 HG SER 640 HG SER 640 5.395 9.708 -7.118 393 H GLY 641 H GLY 641 6.780 5.855 -4.239 394 HA2 GLY 641 2HA GLY 641 4.481 4.619 -5.526 395 HA3 GLY 641 1HA GLY 641 5.579 3.746 -4.493 396 H ALA 642 H ALA 642 5.137 6.583 -3.065 397 HA ALA 642 HA ALA 642 2.427 6.424 -2.131 398 HB1 ALA 642 1HB ALA 642 3.089 6.413 0.263 399 HB2 ALA 642 2HB ALA 642 4.767 6.129 -0.220 400 HB3 ALA 642 3HB ALA 642 3.537 4.912 -0.546 401 H CYS 643 H CYS 643 1.764 8.511 -2.096 402 HA CYS 643 HA CYS 643 3.679 10.576 -1.330 403 HB2 CYS 643 2HB CYS 643 3.904 10.340 -3.784 404 HB3 CYS 643 1HB CYS 643 2.201 10.682 -3.965 405 H GLN 644 H GLN 644 2.796 12.273 -0.316 406 HA GLN 644 HA GLN 644 -0.130 12.240 -0.073 407 HB2 GLN 644 2HB GLN 644 0.152 13.335 2.100 408 HB3 GLN 644 1HB GLN 644 0.964 11.761 2.062 409 HG2 GLN 644 2HG GLN 644 3.094 13.006 1.732 410 HG3 GLN 644 1HG GLN 644 2.143 14.483 1.812 411 HE21 GLN 644 2HE GLN 644 3.542 13.461 5.142 412 H VAL 645 H VAL 645 -1.251 14.006 -0.329 413 HA VAL 645 HA VAL 645 0.171 16.487 -0.974 414 HB VAL 645 HB VAL 645 -2.579 15.618 -1.956 415 HG13 VAL 645 1HG VAL 645 -2.375 18.029 -1.713 416 HG21 VAL 645 2HG VAL 645 -1.555 15.418 -4.185 417 H SER 646 H SER 646 -0.163 17.962 0.530 418 HA SER 646 HA SER 646 -1.988 17.458 2.658 419 HB2 SER 646 2HB SER 646 0.133 18.552 3.127 420 HB3 SER 646 1HB SER 646 -0.313 19.905 2.081 421 HG SER 646 HG SER 646 -1.104 19.266 4.657 422 H ARG 647 H ARG 647 -3.727 18.671 3.237 423 HA ARG 647 HA ARG 647 -4.955 20.171 1.045 424 HB2 ARG 647 2HB ARG 647 -6.229 18.578 3.287 425 HB3 ARG 647 1HB ARG 647 -7.120 19.468 2.048 426 HG2 ARG 647 2HG ARG 647 -6.242 18.087 0.311 427 HG3 ARG 647 1HG ARG 647 -5.134 17.297 1.420 428 HD2 ARG 647 2HD ARG 647 -6.992 15.854 0.887 429 HD3 ARG 647 1HD ARG 647 -7.041 16.307 2.582 430 HE ARG 647 HE ARG 647 -8.793 17.877 1.997 431 HH12 ARG 647 1HH ARG 647 -9.658 15.221 -0.949 432 HH21 ARG 647 2HH ARG 647 -11.381 16.394 0.100 433 H SER 648 H SER 648 -3.954 20.151 4.350 434 HA SER 648 HA SER 648 -5.152 22.690 4.962 435 HB2 SER 648 2HB SER 648 -4.840 21.006 6.740 436 HB3 SER 648 1HB SER 648 -3.102 21.027 6.462 437 HG SER 648 HG SER 648 -4.740 23.125 7.392 438 H ASP 649 H ASP 649 -1.924 21.434 4.100 439 HA ASP 649 HA ASP 649 -0.909 24.203 4.009 440 HB2 ASP 649 2HB ASP 649 0.642 21.606 3.941 441 HB3 ASP 649 1HB ASP 649 1.337 23.219 3.955 442 H ARG 650 H ARG 650 -2.095 21.794 2.088 443 HA ARG 650 HA ARG 650 -2.014 21.138 -0.052 444 HB2 ARG 650 2HB ARG 650 -1.537 24.080 -0.390 445 HB3 ARG 650 1HB ARG 650 -2.048 22.993 -1.685 446 HG2 ARG 650 2HG ARG 650 -4.074 22.456 -0.454 447 HG3 ARG 650 1HG ARG 650 -3.561 23.512 0.862 448 HD2 ARG 650 2HD ARG 650 -3.570 25.373 -0.601 449 HD3 ARG 650 1HD ARG 650 -4.051 24.348 -1.966 450 HE ARG 650 HE ARG 650 -5.796 24.350 0.355 451 HH12 ARG 650 1HH ARG 650 -6.791 26.191 -3.127 452 HH21 ARG 650 2HH ARG 650 -8.379 26.028 -1.325 453 H LYS 651 H LYS 651 0.603 21.122 1.324 454 HA LYS 651 HA LYS 651 2.493 21.398 -0.889 455 HB2 LYS 651 2HB LYS 651 2.926 20.595 1.995 456 HB3 LYS 651 1HB LYS 651 4.198 20.875 0.808 457 HG2 LYS 651 2HG LYS 651 3.616 23.175 0.635 458 HG3 LYS 651 1HG LYS 651 2.186 22.890 1.631 459 HD2 LYS 651 2HD LYS 651 3.660 22.309 3.528 460 HD3 LYS 651 1HD LYS 651 5.069 22.655 2.523 461 HE2 LYS 651 2HE LYS 651 4.337 24.959 2.268 462 HE3 LYS 651 1HE LYS 651 2.903 24.632 3.234 463 HZ1 LYS 651 3HZ LYS 651 4.589 25.689 4.559 464 HZ2 LYS 651 1HZ LYS 651 5.720 24.529 4.169 465 HZ3 LYS 651 2HZ LYS 651 4.394 24.113 5.120 466 H SER 652 H SER 652 4.076 19.506 -0.991 467 HA SER 652 HA SER 652 2.579 16.982 -0.780 468 HB2 SER 652 2HB SER 652 4.061 17.915 -3.245 469 HB3 SER 652 1HB SER 652 3.276 16.345 -3.050 470 HG SER 652 HG SER 652 1.364 17.243 -3.215 471 H TRP 653 H TRP 653 3.756 15.154 -0.382 472 HA TRP 653 HA TRP 653 6.721 15.238 -0.283 473 HB2 TRP 653 2HB TRP 653 4.977 14.241 1.978 474 HB3 TRP 653 1HB TRP 653 6.710 14.071 1.854 475 HD1 TRP 653 HD TRP 653 8.158 16.058 2.757 476 HE1 TRP 653 1HE TRP 653 7.588 18.184 4.050 477 HE3 TRP 653 3HE TRP 653 3.159 16.051 2.028 478 HZ2 TRP 653 2HZ TRP 653 5.243 19.714 4.662 479 HZ3 TRP 653 3HZ TRP 653 1.810 17.774 2.938 480 HH2 TRP 653 HH TRP 653 2.811 19.643 4.265 481 H ASN 654 H ASN 654 7.664 13.486 -0.507 482 HA ASN 654 HA ASN 654 6.171 11.349 -1.763 483 HB2 ASN 654 2HB ASN 654 8.120 12.583 -2.716 484 HB3 ASN 654 1HB ASN 654 9.100 11.924 -1.427 485 HD21 ASN 654 2HD ASN 654 9.309 10.158 -4.696 486 H LEU 655 H LEU 655 5.845 9.503 -0.573 487 HA LEU 655 HA LEU 655 7.068 9.357 2.082 488 HB2 LEU 655 2HB LEU 655 4.692 7.909 0.922 489 HB3 LEU 655 1HB LEU 655 5.337 7.621 2.521 490 HG LEU 655 HG LEU 655 4.769 10.089 3.008 491 HD13 LEU 655 1HD LEU 655 3.273 9.834 0.512 492 HD21 LEU 655 2HD LEU 655 2.488 8.240 2.372 493 H GLY 656 H GLY 656 7.697 8.295 -0.908 494 HA2 GLY 656 2HA GLY 656 9.811 6.868 -0.313 495 HA3 GLY 656 1HA GLY 656 8.554 5.668 -0.127 496 H ARG 657 H ARG 657 10.783 6.173 -2.002 497 HA ARG 657 HA ARG 657 9.554 6.596 -4.553 498 HB2 ARG 657 2HB ARG 657 11.899 7.250 -4.056 499 HB3 ARG 657 1HB ARG 657 12.298 5.561 -3.811 500 HG2 ARG 657 2HG ARG 657 11.867 5.069 -6.121 501 HG3 ARG 657 1HG ARG 657 11.298 6.714 -6.396 502 HD2 ARG 657 2HD ARG 657 13.578 6.467 -7.190 503 HD3 ARG 657 1HD ARG 657 13.509 7.579 -5.830 504 HE ARG 657 HE ARG 657 14.076 4.906 -5.046 505 HH12 ARG 657 1HH ARG 657 17.105 7.525 -5.778 506 HH21 ARG 657 2HH ARG 657 17.567 5.518 -4.696 507 H SER 658 H SER 658 8.923 5.025 -5.956 508 HA SER 658 HA SER 658 7.681 2.858 -5.007 509 HB2 SER 658 2HB SER 658 8.786 3.317 -7.720 510 HB3 SER 658 1HB SER 658 7.557 2.096 -7.338 511 HG SER 658 HG SER 658 6.175 3.620 -6.877 512 H ASN 659 H ASN 659 8.120 0.997 -4.286 513 HA ASN 659 HA ASN 659 9.984 -0.755 -5.456 514 HB2 ASN 659 2HB ASN 659 11.128 -1.354 -3.327 515 HB3 ASN 659 1HB ASN 659 11.517 0.265 -3.874 516 HD21 ASN 659 2HD ASN 659 9.628 -0.362 -0.323 517 H ALA 660 H ALA 660 9.151 -2.654 -5.409 518 HA ALA 660 HA ALA 660 6.519 -3.002 -4.164 519 HB1 ALA 660 1HB ALA 660 8.033 -4.698 -6.140 520 HB2 ALA 660 2HB ALA 660 6.799 -3.503 -6.533 521 HB3 ALA 660 3HB ALA 660 6.362 -4.957 -5.635 522 H LYS 661 H LYS 661 8.622 -3.023 -2.377 523 HA LYS 661 HA LYS 661 9.229 -5.807 -1.749 524 HB2 LYS 661 2HB LYS 661 10.210 -3.249 -0.507 525 HB3 LYS 661 1HB LYS 661 10.768 -4.864 -0.099 526 HG2 LYS 661 2HG LYS 661 11.670 -5.162 -2.312 527 HG3 LYS 661 1HG LYS 661 11.024 -3.596 -2.812 528 HD2 LYS 661 2HD LYS 661 12.400 -2.490 -1.190 529 HD3 LYS 661 1HD LYS 661 13.061 -4.032 -0.631 530 HE2 LYS 661 2HE LYS 661 13.358 -2.836 -3.396 531 HE3 LYS 661 1HE LYS 661 14.616 -2.914 -2.164 532 HZ1 LYS 661 3HZ LYS 661 14.882 -4.655 -3.797 533 HZ2 LYS 661 1HZ LYS 661 13.337 -5.250 -3.508 534 HZ3 LYS 661 2HZ LYS 661 14.519 -5.348 -2.311 535 H LEU 662 H LEU 662 7.976 -6.857 -0.416 536 HA LEU 662 HA LEU 662 6.228 -5.412 1.428 537 HB2 LEU 662 2HB LEU 662 6.252 -8.246 0.433 538 HB3 LEU 662 1HB LEU 662 5.159 -7.698 1.702 539 HG LEU 662 HG LEU 662 5.217 -6.864 -1.200 540 HD13 LEU 662 1HD LEU 662 3.053 -7.988 -1.284 541 HD21 LEU 662 2HD LEU 662 4.548 -4.990 0.215 542 H SER 663 H SER 663 6.127 -6.031 3.591 543 HA SER 663 HA SER 663 8.415 -7.579 4.590 544 HB2 SER 663 2HB SER 663 7.072 -5.177 5.874 545 HB3 SER 663 1HB SER 663 8.362 -6.122 6.608 546 HG SER 663 HG SER 663 8.525 -4.066 4.914 547 H TYR 664 H TYR 664 7.882 -8.857 6.510 548 HA TYR 664 HA TYR 664 4.967 -9.243 6.821 549 HB2 TYR 664 2HB TYR 664 6.287 -11.067 5.617 550 HB3 TYR 664 1HB TYR 664 7.146 -11.221 7.155 551 HD1 TYR 664 2HD TYR 664 3.489 -10.867 6.390 552 HD2 TYR 664 1HD TYR 664 6.571 -13.309 8.032 553 HE1 TYR 664 2HE TYR 664 1.849 -12.420 7.002 554 HE2 TYR 664 1HE TYR 664 4.893 -14.952 8.706 555 HH TYR 664 HH TYR 664 2.560 -15.042 9.193 556 H TYR 665 H TYR 665 4.433 -8.554 8.839 557 HA TYR 665 HA TYR 665 6.520 -8.733 10.881 558 HB2 TYR 665 2HB TYR 665 5.525 -6.476 10.266 559 HB3 TYR 665 1HB TYR 665 4.002 -7.056 10.908 560 HD1 TYR 665 1HD TYR 665 7.562 -6.659 11.902 561 HD2 TYR 665 2HD TYR 665 3.497 -6.520 13.126 562 HE1 TYR 665 1HE TYR 665 8.268 -5.819 14.094 563 HE2 TYR 665 2HE TYR 665 4.194 -5.679 15.334 564 HH TYR 665 HH TYR 665 7.325 -4.537 15.908 565 H ASP 666 H ASP 666 6.249 -10.774 11.540 566 HA ASP 666 HA ASP 666 5.474 -12.571 12.594 567 HB2 ASP 666 2HB ASP 666 4.779 -11.147 14.432 568 HB3 ASP 666 1HB ASP 666 3.254 -10.780 13.613 569 H GLY 667 H GLY 667 2.462 -11.045 11.695 570 HA2 GLY 667 2HA GLY 667 2.041 -13.085 9.674 571 HA3 GLY 667 1HA GLY 667 0.835 -13.036 10.930 572 H MET 668 H MET 668 1.844 -9.957 10.679 573 HA MET 668 HA MET 668 -0.295 -9.349 8.835 574 HB2 MET 668 2HB MET 668 1.179 -7.561 10.798 575 HB3 MET 668 1HB MET 668 -0.095 -7.029 9.723 576 HG2 MET 668 2HG MET 668 -1.053 -7.294 11.882 577 HG3 MET 668 1HG MET 668 -1.647 -8.613 10.885 578 HE1 MET 668 3HE MET 668 0.637 -7.524 13.861 579 HE2 MET 668 1HE MET 668 1.841 -8.181 12.754 580 HE3 MET 668 2HE MET 668 1.488 -9.019 14.263 581 H ILE 669 H ILE 669 0.337 -9.137 6.855 582 HA ILE 669 HA ILE 669 3.026 -8.659 6.117 583 HB ILE 669 HB ILE 669 0.486 -8.491 4.524 584 HG12 ILE 669 1HG ILE 669 1.362 -10.431 3.317 585 HG23 ILE 669 2HG ILE 669 1.906 -8.535 2.456 586 HD11 ILE 669 1HD ILE 669 0.646 -10.932 6.198 587 H GLN 670 H GLN 670 3.996 -6.791 5.495 588 HA GLN 670 HA GLN 670 2.394 -4.363 5.727 589 HB2 GLN 670 2HB GLN 670 5.276 -4.648 6.564 590 HB3 GLN 670 1HB GLN 670 4.284 -3.205 6.693 591 HG2 GLN 670 2HG GLN 670 2.830 -4.457 8.281 592 HG3 GLN 670 1HG GLN 670 4.011 -5.768 8.237 593 HE21 GLN 670 2HE GLN 670 4.691 -2.450 10.387 594 H LEU 671 H LEU 671 3.314 -2.634 4.570 595 HA LEU 671 HA LEU 671 4.836 -3.439 2.163 596 HB2 LEU 671 2HB LEU 671 2.435 -2.878 1.666 597 HB3 LEU 671 1HB LEU 671 2.706 -1.346 2.468 598 HG LEU 671 HG LEU 671 4.123 -0.575 0.666 599 HD13 LEU 671 1HD LEU 671 3.608 -3.255 -0.603 600 HD21 LEU 671 2HD LEU 671 1.595 -1.811 -0.375 601 H THR 672 H THR 672 6.595 -2.172 1.839 602 HA THR 672 HA THR 672 6.950 -0.121 3.902 603 HB THR 672 HB THR 672 8.997 -2.122 2.953 604 HG1 THR 672 1HG THR 672 7.134 -2.038 4.988 605 HG21 THR 672 2HG THR 672 9.989 0.017 3.680 606 H TYR 673 H TYR 673 7.074 1.730 2.929 607 HA TYR 673 HA TYR 673 8.694 1.901 0.505 608 HB2 TYR 673 2HB TYR 673 6.422 3.648 1.424 609 HB3 TYR 673 1HB TYR 673 7.584 4.196 0.230 610 HD1 TYR 673 2HD TYR 673 7.969 2.740 -1.795 611 HD2 TYR 673 1HD TYR 673 4.600 2.369 0.752 612 HE1 TYR 673 2HE TYR 673 6.777 1.592 -3.576 613 HE2 TYR 673 1HE TYR 673 3.388 1.235 -0.970 614 HH TYR 673 HH TYR 673 3.436 0.884 -3.495 615 H ARG 674 H ARG 674 10.388 3.141 0.377 616 HA ARG 674 HA ARG 674 11.118 4.877 2.601 617 HB2 ARG 674 2HB ARG 674 12.820 2.629 1.480 618 HB3 ARG 674 1HB ARG 674 13.441 3.891 2.527 619 HG2 ARG 674 2HG ARG 674 12.019 3.136 4.336 620 HG3 ARG 674 1HG ARG 674 11.267 1.939 3.283 621 HD2 ARG 674 2HD ARG 674 13.418 0.811 3.037 622 HD3 ARG 674 1HD ARG 674 14.181 2.020 4.066 623 HE ARG 674 HE ARG 674 12.471 1.220 5.773 624 HH12 ARG 674 1HH ARG 674 13.876 -2.337 4.391 625 HH21 ARG 674 2HH ARG 674 13.008 -2.175 6.569 626 H ASP 675 H ASP 675 13.353 5.956 1.845 627 HA ASP 675 HA ASP 675 14.467 7.299 0.393 628 HB2 ASP 675 2HB ASP 675 13.111 5.697 -1.804 629 HB3 ASP 675 1HB ASP 675 14.359 6.901 -2.088 630 H GLY 676 H GLY 676 11.701 7.787 1.365 631 HA2 GLY 676 2HA GLY 676 10.449 9.444 -0.607 632 HA3 GLY 676 1HA GLY 676 10.016 9.296 1.093 633 H THR 677 H THR 677 9.720 11.662 0.821 634 HA THR 677 HA THR 677 11.972 13.325 0.370 635 HB THR 677 HB THR 677 9.284 14.004 1.597 636 HG1 THR 677 1HG THR 677 10.263 14.067 -1.062 637 HG21 THR 677 2HG THR 677 9.763 16.296 0.867 638 HA PRO 678 HA PRO 678 13.613 13.192 4.556 639 HB2 PRO 678 2HB PRO 678 15.059 15.625 3.692 640 HB3 PRO 678 1HB PRO 678 15.709 14.105 4.312 641 HG2 PRO 678 2HG PRO 678 15.960 14.713 1.738 642 HG3 PRO 678 1HG PRO 678 15.576 13.055 2.255 643 HD2 PRO 678 2HD PRO 678 13.734 15.168 1.187 644 HD3 PRO 678 1HD PRO 678 13.860 13.441 0.762 645 H TYR 679 H TYR 679 12.885 14.066 6.330 646 HA TYR 679 HA TYR 679 11.528 16.689 6.253 647 HB2 TYR 679 2HB TYR 679 11.201 14.372 8.193 648 HB3 TYR 679 1HB TYR 679 10.541 15.981 8.447 649 HD1 TYR 679 2HD TYR 679 10.545 14.278 5.171 650 HD2 TYR 679 1HD TYR 679 8.317 15.354 8.614 651 HE1 TYR 679 2HE TYR 679 8.473 13.652 4.026 652 HE2 TYR 679 1HE TYR 679 6.251 14.730 7.492 653 HH TYR 679 HH TYR 679 5.471 14.516 5.225 654 H ASN 680 H ASN 680 11.551 17.375 8.854 655 HA ASN 680 HA ASN 680 14.144 18.337 9.237 656 HB2 ASN 680 2HB ASN 680 13.304 19.280 11.377 657 HB3 ASN 680 1HB ASN 680 12.260 19.647 10.017 658 HD21 ASN 680 2HD ASN 680 9.472 18.012 11.343 659 H ASN 681 H ASN 681 15.756 17.192 9.688 660 HA ASN 681 HA ASN 681 16.110 15.852 12.138 661 HB2 ASN 681 2HB ASN 681 14.918 14.000 10.939 662 HB3 ASN 681 1HB ASN 681 16.053 14.135 9.608 663 HD21 ASN 681 2HD ASN 681 16.848 11.345 12.092 664 H GLU 682 H GLU 682 18.209 16.058 12.565 665 HA GLU 682 HA GLU 682 19.755 17.716 10.928 666 HB2 GLU 682 2HB GLU 682 19.947 17.621 13.368 667 HB3 GLU 682 1HB GLU 682 20.596 15.999 13.239 668 HG2 GLU 682 2HG GLU 682 22.550 16.815 12.134 669 HG3 GLU 682 1HG GLU 682 21.900 18.454 12.123 670 H LYS 683 H LYS 683 19.640 14.235 11.197 671 HA LYS 683 HA LYS 683 22.017 13.930 9.565 672 HB2 LYS 683 2HB LYS 683 20.072 11.877 10.651 673 HB3 LYS 683 1HB LYS 683 21.427 11.466 9.626 674 HG2 LYS 683 2HG LYS 683 21.984 10.981 11.901 675 HG3 LYS 683 1HG LYS 683 22.956 12.351 11.379 676 HD2 LYS 683 2HD LYS 683 21.434 13.866 12.568 677 HD3 LYS 683 1HD LYS 683 20.445 12.491 13.055 678 HE2 LYS 683 2HE LYS 683 23.340 12.926 13.799 679 HE3 LYS 683 1HE LYS 683 21.965 13.222 14.854 680 HZ1 LYS 683 3HZ LYS 683 21.424 10.839 14.672 681 HZ2 LYS 683 1HZ LYS 683 22.965 11.087 15.328 682 HZ3 LYS 683 2HZ LYS 683 22.809 10.617 13.735 683 H ARG 684 H ARG 684 18.867 14.686 9.014 684 HA ARG 684 HA ARG 684 17.403 14.630 7.348 685 HB2 ARG 684 2HB ARG 684 19.905 14.439 5.693 686 HB3 ARG 684 1HB ARG 684 18.325 14.479 4.950 687 HG2 ARG 684 2HG ARG 684 19.247 16.690 4.880 688 HG3 ARG 684 1HG ARG 684 17.913 16.657 6.028 689 HD2 ARG 684 2HD ARG 684 19.503 16.580 7.882 690 HD3 ARG 684 1HD ARG 684 20.848 16.558 6.739 691 HE ARG 684 HE ARG 684 19.217 18.752 6.190 692 HH12 ARG 684 1HH ARG 684 21.956 19.312 9.117 693 HH21 ARG 684 2HH ARG 684 21.052 21.165 7.941 694 H THR 685 H THR 685 16.135 13.036 7.627 695 HA THR 685 HA THR 685 16.965 10.485 6.497 696 HB THR 685 HB THR 685 16.520 10.342 8.914 697 HG1 THR 685 1HG THR 685 15.918 8.584 7.464 698 HG21 THR 685 2HG THR 685 13.708 11.211 8.228 699 HA PRO 686 HA PRO 686 13.783 11.214 3.432 700 HB2 PRO 686 2HB PRO 686 14.095 8.357 2.793 701 HB3 PRO 686 1HB PRO 686 14.366 9.789 1.786 702 HG2 PRO 686 2HG PRO 686 16.411 8.266 2.703 703 HG3 PRO 686 1HG PRO 686 16.557 10.013 2.455 704 HD2 PRO 686 2HD PRO 686 16.142 8.490 4.997 705 HD3 PRO 686 1HD PRO 686 17.158 9.914 4.662 706 H ARG 687 H ARG 687 11.604 10.614 3.188 707 HA ARG 687 HA ARG 687 10.377 9.740 5.533 708 HB2 ARG 687 2HB ARG 687 9.499 11.413 3.961 709 HB3 ARG 687 1HB ARG 687 9.254 10.152 2.774 710 HG2 ARG 687 2HG ARG 687 7.189 10.670 3.769 711 HG3 ARG 687 1HG ARG 687 7.704 9.067 4.332 712 HD2 ARG 687 2HD ARG 687 8.084 11.626 5.906 713 HD3 ARG 687 1HD ARG 687 6.710 10.554 6.105 714 HE ARG 687 HE ARG 687 8.221 8.861 6.836 715 HH12 ARG 687 1HH ARG 687 10.535 11.936 8.183 716 HH21 ARG 687 2HH ARG 687 10.690 9.856 9.233 717 H ALA 688 H ALA 688 9.323 7.867 5.984 718 HA ALA 688 HA ALA 688 9.397 5.725 4.024 719 HB1 ALA 688 1HB ALA 688 11.175 5.351 5.699 720 HB2 ALA 688 2HB ALA 688 9.896 4.144 5.817 721 HB3 ALA 688 3HB ALA 688 9.966 5.465 6.980 722 H THR 689 H THR 689 7.695 4.289 4.235 723 HA THR 689 HA THR 689 5.498 4.998 6.003 724 HB THR 689 HB THR 689 5.476 5.127 3.024 725 HG1 THR 689 1HG THR 689 5.810 6.826 4.721 726 HG21 THR 689 2HG THR 689 3.528 3.758 3.530 727 H LEU 690 H LEU 690 4.269 3.336 6.633 728 HA LEU 690 HA LEU 690 4.804 0.773 5.325 729 HB2 LEU 690 2HB LEU 690 4.194 1.256 8.217 730 HB3 LEU 690 1HB LEU 690 4.215 -0.313 7.467 731 HG LEU 690 HG LEU 690 6.546 1.516 7.968 732 HD13 LEU 690 1HD LEU 690 7.230 -0.435 9.327 733 HD21 LEU 690 2HD LEU 690 7.880 -0.304 7.001 734 H ILE 691 H ILE 691 3.042 -0.120 4.505 735 HA ILE 691 HA ILE 691 0.407 0.548 5.623 736 HB ILE 691 HB ILE 691 1.045 -1.220 3.215 737 HG12 ILE 691 1HG ILE 691 -0.026 0.405 1.831 738 HG23 ILE 691 2HG ILE 691 -0.902 -1.924 4.396 739 HD11 ILE 691 1HD ILE 691 1.581 2.196 1.711 740 H THR 692 H THR 692 -0.425 -0.874 7.041 741 HA THR 692 HA THR 692 0.824 -3.503 7.162 742 HB THR 692 HB THR 692 -0.800 -2.017 9.247 743 HG1 THR 692 1HG THR 692 1.529 -1.577 8.308 744 HG21 THR 692 2HG THR 692 1.009 -4.449 9.450 745 H PHE 693 H PHE 693 -0.381 -5.128 6.359 746 HA PHE 693 HA PHE 693 -3.121 -4.554 5.619 747 HB2 PHE 693 2HB PHE 693 -1.406 -6.985 4.972 748 HB3 PHE 693 1HB PHE 693 -2.979 -6.615 4.276 749 HD1 PHE 693 2HD PHE 693 -3.219 -4.734 2.689 750 HD2 PHE 693 1HD PHE 693 0.555 -5.937 4.204 751 HE1 PHE 693 2HE PHE 693 -2.059 -3.367 0.932 752 HE2 PHE 693 1HE PHE 693 1.691 -4.600 2.466 753 HZ PHE 693 HZ PHE 693 0.365 -3.330 0.834 754 H LEU 694 H LEU 694 -4.632 -5.007 6.898 755 HA LEU 694 HA LEU 694 -4.339 -7.157 8.867 756 HB2 LEU 694 2HB LEU 694 -6.077 -4.685 8.939 757 HB3 LEU 694 1HB LEU 694 -5.971 -5.903 10.194 758 HG LEU 694 HG LEU 694 -3.714 -4.090 9.343 759 HD13 LEU 694 1HD LEU 694 -4.048 -3.004 11.503 760 HD21 LEU 694 2HD LEU 694 -3.912 -6.058 11.619 761 H CYS 695 H CYS 695 -6.282 -8.366 9.244 762 HA CYS 695 HA CYS 695 -7.905 -8.507 6.798 763 HB2 CYS 695 2HB CYS 695 -6.263 -10.329 7.081 764 HB3 CYS 695 1HB CYS 695 -6.966 -10.757 8.612 765 H ASP 696 H ASP 696 -8.421 -6.950 9.090 766 HA ASP 696 HA ASP 696 -10.318 -8.206 10.818 767 HB2 ASP 696 2HB ASP 696 -8.956 -6.078 11.286 768 HB3 ASP 696 1HB ASP 696 -10.072 -5.270 10.201 769 H ARG 697 H ARG 697 -12.330 -8.675 10.308 770 HA ARG 697 HA ARG 697 -14.364 -8.782 9.374 771 HB2 ARG 697 2HB ARG 697 -13.744 -6.025 8.305 772 HB3 ARG 697 1HB ARG 697 -15.300 -6.815 8.128 773 HG2 ARG 697 2HG ARG 697 -15.555 -6.869 10.552 774 HG3 ARG 697 1HG ARG 697 -13.973 -6.112 10.730 775 HD2 ARG 697 2HD ARG 697 -14.753 -4.136 9.572 776 HD3 ARG 697 1HD ARG 697 -16.316 -4.896 9.281 777 HE ARG 697 HE ARG 697 -16.176 -5.024 11.914 778 HH12 ARG 697 1HH ARG 697 -15.980 -1.108 10.874 779 HH21 ARG 697 2HH ARG 697 -16.789 -1.785 13.063 780 H ASP 698 H ASP 698 -15.547 -8.694 7.193 781 HA ASP 698 HA ASP 698 -13.743 -9.889 5.229 782 HB2 ASP 698 2HB ASP 698 -15.644 -11.264 5.940 783 HB3 ASP 698 1HB ASP 698 -16.752 -9.984 5.465 784 H ALA 699 H ALA 699 -13.241 -8.834 3.495 785 HA ALA 699 HA ALA 699 -14.985 -6.798 2.385 786 HB1 ALA 699 1HB ALA 699 -12.117 -6.272 3.206 787 HB2 ALA 699 2HB ALA 699 -13.547 -5.565 3.955 788 HB3 ALA 699 3HB ALA 699 -13.135 -5.164 2.285 789 H GLY 700 H GLY 700 -13.270 -5.873 0.447 790 HA2 GLY 700 2HA GLY 700 -12.683 -8.328 -1.023 791 HA3 GLY 700 1HA GLY 700 -12.955 -6.738 -1.727 792 H VAL 701 H VAL 701 -11.237 -5.747 -2.433 793 HA VAL 701 HA VAL 701 -8.605 -6.700 -1.960 794 HB VAL 701 HB VAL 701 -9.473 -4.090 -3.270 795 HG13 VAL 701 1HG VAL 701 -6.876 -5.592 -3.508 796 HG21 VAL 701 2HG VAL 701 -10.467 -6.012 -4.371 797 H GLY 702 H GLY 702 -10.579 -4.333 -0.474 798 HA2 GLY 702 2HA GLY 702 -10.273 -3.419 1.627 799 HA3 GLY 702 1HA GLY 702 -8.607 -3.962 1.600 800 H PHE 703 H PHE 703 -9.550 -1.456 2.464 801 HA PHE 703 HA PHE 703 -8.247 0.269 0.501 802 HB2 PHE 703 2HB PHE 703 -10.656 0.764 0.816 803 HB3 PHE 703 1HB PHE 703 -10.377 0.971 2.537 804 HD1 PHE 703 2HD PHE 703 -9.349 2.286 -0.769 805 HD2 PHE 703 1HD PHE 703 -9.884 3.073 3.372 806 HE1 PHE 703 2HE PHE 703 -8.876 4.655 -1.164 807 HE2 PHE 703 1HE PHE 703 -9.407 5.454 2.981 808 HZ PHE 703 HZ PHE 703 -8.899 6.236 0.690 809 HA PRO 704 HA PRO 704 -5.298 0.899 3.886 810 HB2 PRO 704 2HB PRO 704 -3.932 2.969 2.830 811 HB3 PRO 704 1HB PRO 704 -3.712 1.315 2.257 812 HG2 PRO 704 2HG PRO 704 -5.308 3.538 1.055 813 HG3 PRO 704 1HG PRO 704 -4.286 2.334 0.251 814 HD2 PRO 704 2HD PRO 704 -7.010 2.164 0.377 815 HD3 PRO 704 1HD PRO 704 -5.947 0.748 0.255 816 H GLU 705 H GLU 705 -5.496 2.130 5.707 817 HA GLU 705 HA GLU 705 -6.678 4.783 5.402 818 HB2 GLU 705 2HB GLU 705 -7.285 2.695 7.436 819 HB3 GLU 705 1HB GLU 705 -7.892 4.349 7.553 820 HG2 GLU 705 2HG GLU 705 -9.006 3.985 5.316 821 HG3 GLU 705 1HG GLU 705 -8.521 2.305 5.418 822 H TYR 706 H TYR 706 -5.788 6.357 6.612 823 HA TYR 706 HA TYR 706 -3.185 5.821 7.681 824 HB2 TYR 706 2HB TYR 706 -3.688 7.885 6.406 825 HB3 TYR 706 1HB TYR 706 -4.784 8.395 7.678 826 HD1 TYR 706 1HD TYR 706 -1.366 6.914 7.931 827 HD2 TYR 706 2HD TYR 706 -3.820 10.333 8.558 828 HE1 TYR 706 1HE TYR 706 0.508 8.047 9.024 829 HE2 TYR 706 2HE TYR 706 -1.941 11.482 9.654 830 HH TYR 706 HH TYR 706 1.239 10.422 9.468 831 H GLN 707 H GLN 707 -2.617 5.592 9.812 832 HA GLN 707 HA GLN 707 -4.555 4.961 11.706 833 HB2 GLN 707 2HB GLN 707 -2.689 4.936 13.416 834 HB3 GLN 707 1HB GLN 707 -2.274 4.075 11.955 835 HG2 GLN 707 2HG GLN 707 -0.870 5.867 11.223 836 HG3 GLN 707 1HG GLN 707 -1.364 6.857 12.596 837 HE21 GLN 707 2HE GLN 707 1.554 5.697 14.101 838 H GLU 708 H GLU 708 -2.512 7.886 11.790 839 HA GLU 708 HA GLU 708 -4.350 9.833 12.138 840 HB2 GLU 708 2HB GLU 708 -4.920 8.695 14.318 841 HB3 GLU 708 1HB GLU 708 -3.240 8.828 14.802 842 HG2 GLU 708 2HG GLU 708 -3.409 11.227 14.874 843 HG3 GLU 708 1HG GLU 708 -5.048 11.163 14.227 844 H GLU 709 H GLU 709 -3.050 11.896 12.741 845 HA GLU 709 HA GLU 709 -0.657 11.599 11.344 846 HB2 GLU 709 2HB GLU 709 -0.218 13.975 11.728 847 HB3 GLU 709 1HB GLU 709 -1.829 13.668 11.121 848 HG2 GLU 709 2HG GLU 709 -2.730 14.001 13.370 849 HG3 GLU 709 1HG GLU 709 -1.094 14.304 13.966 850 H ASP 710 H ASP 710 1.151 11.080 11.782 851 HA ASP 710 HA ASP 710 2.085 10.823 14.547 852 HB2 ASP 710 2HB ASP 710 2.299 8.886 13.005 853 HB3 ASP 710 1HB ASP 710 3.253 9.865 11.906 854 H ASN 711 H ASN 711 4.619 11.346 14.618 855 HA ASN 711 HA ASN 711 4.893 14.117 14.091 856 HB2 ASN 711 2HB ASN 711 6.932 12.067 14.979 857 HB3 ASN 711 1HB ASN 711 7.233 13.799 14.877 858 HD21 ASN 711 2HD ASN 711 6.150 12.649 18.302 859 H SER 712 H SER 712 5.847 11.172 12.455 860 HA SER 712 HA SER 712 6.203 12.551 10.026 861 HB2 SER 712 2HB SER 712 8.653 12.056 9.684 862 HB3 SER 712 1HB SER 712 8.284 13.332 10.833 863 HG SER 712 HG SER 712 8.359 11.200 12.309 864 H THR 713 H THR 713 6.340 9.517 11.783 865 HA THR 713 HA THR 713 6.935 7.995 9.383 866 HB THR 713 HB THR 713 6.283 7.073 12.209 867 HG1 THR 713 1HG THR 713 8.183 8.307 12.141 868 HG21 THR 713 2HG THR 713 7.345 4.962 11.504 869 H TYR 714 H TYR 714 5.326 7.359 8.042 870 HA TYR 714 HA TYR 714 2.593 7.618 8.979 871 HB2 TYR 714 2HB TYR 714 3.691 7.352 6.173 872 HB3 TYR 714 1HB TYR 714 1.977 7.486 6.564 873 HD1 TYR 714 2HD TYR 714 1.126 9.553 7.603 874 HD2 TYR 714 1HD TYR 714 5.093 9.306 6.139 875 HE1 TYR 714 2HE TYR 714 1.278 11.992 7.659 876 HE2 TYR 714 1HE TYR 714 5.248 11.793 6.198 877 HH TYR 714 HH TYR 714 2.990 13.617 7.854 878 H ASN 715 H ASN 715 1.454 5.940 9.631 879 HA ASN 715 HA ASN 715 2.083 3.287 8.509 880 HB2 ASN 715 2HB ASN 715 2.393 3.629 11.118 881 HB3 ASN 715 1HB ASN 715 0.676 3.775 11.112 882 HD21 ASN 715 2HD ASN 715 1.671 0.102 9.706 883 H PHE 716 H PHE 716 0.463 2.255 7.555 884 HA PHE 716 HA PHE 716 -2.199 3.459 7.689 885 HB2 PHE 716 2HB PHE 716 -0.721 2.261 5.377 886 HB3 PHE 716 1HB PHE 716 -2.453 2.534 5.308 887 HD1 PHE 716 2HD PHE 716 0.862 4.067 5.406 888 HD2 PHE 716 1HD PHE 716 -3.322 4.778 5.242 889 HE1 PHE 716 2HE PHE 716 1.284 6.408 4.801 890 HE2 PHE 716 1HE PHE 716 -2.901 7.114 4.633 891 HZ PHE 716 HZ PHE 716 -0.616 7.930 4.425 892 H ARG 717 H ARG 717 -3.871 2.227 8.036 893 HA ARG 717 HA ARG 717 -3.383 -0.615 8.484 894 HB2 ARG 717 2HB ARG 717 -5.700 1.093 9.441 895 HB3 ARG 717 1HB ARG 717 -5.409 -0.592 9.862 896 HG2 ARG 717 2HG ARG 717 -3.264 0.112 10.860 897 HG3 ARG 717 1HG ARG 717 -3.766 1.782 10.557 898 HD2 ARG 717 2HD ARG 717 -5.221 -0.206 12.322 899 HD3 ARG 717 1HD ARG 717 -4.223 1.124 12.895 900 HE ARG 717 HE ARG 717 -6.585 1.689 11.242 901 HH12 ARG 717 1HH ARG 717 -6.099 2.958 15.074 902 HH21 ARG 717 2HH ARG 717 -7.964 3.653 13.808 903 H TRP 718 H TRP 718 -3.753 -1.588 6.764 904 HA TRP 718 HA TRP 718 -5.903 -0.781 4.917 905 HB2 TRP 718 2HB TRP 718 -3.541 -1.091 4.097 906 HB3 TRP 718 1HB TRP 718 -3.640 -2.774 4.562 907 HD1 TRP 718 HD TRP 718 -6.270 -3.716 3.233 908 HE1 TRP 718 1HE TRP 718 -6.530 -3.730 0.653 909 HE3 TRP 718 3HE TRP 718 -2.629 -0.292 1.949 910 HZ2 TRP 718 2HZ TRP 718 -5.386 -2.514 -1.549 911 HZ3 TRP 718 3HZ TRP 718 -2.306 0.192 -0.402 912 HH2 TRP 718 HH TRP 718 -3.648 -0.890 -2.121 913 H TYR 719 H TYR 719 -7.769 -1.827 5.361 914 HA TYR 719 HA TYR 719 -7.584 -4.481 6.571 915 HB2 TYR 719 2HB TYR 719 -9.970 -2.649 6.241 916 HB3 TYR 719 1HB TYR 719 -10.012 -4.226 7.022 917 HD1 TYR 719 2HD TYR 719 -8.624 -4.568 9.083 918 HD2 TYR 719 1HD TYR 719 -9.322 -0.718 7.449 919 HE1 TYR 719 2HE TYR 719 -8.006 -3.555 11.236 920 HE2 TYR 719 1HE TYR 719 -8.704 0.311 9.596 921 HH TYR 719 HH TYR 719 -7.235 -1.486 12.150 922 H THR 720 H THR 720 -7.420 -6.038 5.193 923 HA THR 720 HA THR 720 -9.161 -6.076 2.875 924 HB THR 720 HB THR 720 -7.088 -5.283 1.970 925 HG1 THR 720 1HG THR 720 -7.361 -6.534 0.426 926 HG21 THR 720 2HG THR 720 -5.003 -6.513 2.162 927 H SER 721 H SER 721 -9.843 -8.067 2.235 928 HA SER 721 HA SER 721 -9.739 -10.149 4.160 929 HB2 SER 721 2HB SER 721 -11.696 -9.736 2.701 930 HB3 SER 721 1HB SER 721 -10.742 -10.181 1.292 931 HG SER 721 HG SER 721 -11.116 -11.871 3.511 932 H TYR 722 H TYR 722 -7.903 -9.223 1.379 933 HA TYR 722 HA TYR 722 -6.783 -11.712 0.746 934 HB2 TYR 722 2HB TYR 722 -5.851 -8.922 0.152 935 HB3 TYR 722 1HB TYR 722 -4.938 -10.339 -0.349 936 HD1 TYR 722 2HD TYR 722 -5.788 -11.814 -2.074 937 HD2 TYR 722 1HD TYR 722 -7.945 -8.347 -0.910 938 HE1 TYR 722 2HE TYR 722 -7.147 -11.996 -4.107 939 HE2 TYR 722 1HE TYR 722 -9.320 -8.517 -2.949 940 HH TYR 722 HH TYR 722 -9.373 -11.284 -4.842 941 H ALA 723 H ALA 723 -6.145 -9.595 3.356 942 HA ALA 723 HA ALA 723 -3.458 -10.384 3.795 943 HB1 ALA 723 1HB ALA 723 -5.456 -9.217 5.731 944 HB2 ALA 723 2HB ALA 723 -4.315 -8.319 4.735 945 HB3 ALA 723 3HB ALA 723 -3.726 -9.374 6.017 946 H CYS 724 H CYS 724 -6.314 -12.103 4.164 947 HA CYS 724 HA CYS 724 -5.062 -13.935 6.064 948 HB2 CYS 724 2HB CYS 724 -7.918 -13.760 5.111 949 HB3 CYS 724 1HB CYS 724 -7.294 -15.139 5.994 950 HA PRO 725 HA PRO 725 -4.506 -16.524 2.397 951 HB2 PRO 725 2HB PRO 725 -3.273 -18.599 3.674 952 HB3 PRO 725 1HB PRO 725 -2.409 -17.132 3.211 953 HG2 PRO 725 2HG PRO 725 -3.458 -17.949 5.879 954 HG3 PRO 725 1HG PRO 725 -1.969 -17.079 5.480 955 HD2 PRO 725 2HD PRO 725 -4.253 -15.873 6.420 956 HD3 PRO 725 1HD PRO 725 -3.029 -15.049 5.440 Start of MODEL 6 1 H1 GLU 578 1HT GLU 578 18.188 -11.294 23.035 2 H2 GLU 578 2HT GLU 578 19.098 -10.304 22.025 3 H3 GLU 578 3HT GLU 578 18.641 -11.837 21.520 4 HA GLU 578 HA GLU 578 16.349 -11.269 21.473 5 HB2 GLU 578 2HB GLU 578 17.295 -8.536 22.353 6 HB3 GLU 578 1HB GLU 578 15.668 -8.905 21.820 7 HG2 GLU 578 2HG GLU 578 15.446 -10.476 23.711 8 HG3 GLU 578 1HG GLU 578 17.051 -9.995 24.259 9 H ALA 579 H ALA 579 18.773 -11.337 19.706 10 HA ALA 579 HA ALA 579 18.729 -9.207 17.889 11 HB1 ALA 579 1HB ALA 579 19.871 -10.753 16.362 12 HB2 ALA 579 2HB ALA 579 19.454 -12.106 17.419 13 HB3 ALA 579 3HB ALA 579 20.549 -10.846 17.988 14 H GLU 580 H GLU 580 17.144 -12.361 17.793 15 HA GLU 580 HA GLU 580 15.385 -11.324 15.726 16 HB2 GLU 580 2HB GLU 580 15.609 -14.144 16.807 17 HB3 GLU 580 1HB GLU 580 14.646 -13.634 15.428 18 HG2 GLU 580 2HG GLU 580 16.673 -13.033 14.218 19 HG3 GLU 580 1HG GLU 580 17.650 -13.513 15.602 20 H ALA 581 H ALA 581 14.330 -9.938 17.068 21 HA ALA 581 HA ALA 581 12.920 -11.008 19.378 22 HB1 ALA 581 1HB ALA 581 13.135 -8.174 18.386 23 HB2 ALA 581 2HB ALA 581 14.145 -8.921 19.625 24 HB3 ALA 581 3HB ALA 581 12.419 -8.703 19.910 25 H GLU 582 H GLU 582 10.692 -10.514 19.694 26 HA GLU 582 HA GLU 582 9.130 -11.518 17.616 27 HB2 GLU 582 2HB GLU 582 8.299 -10.129 20.150 28 HB3 GLU 582 1HB GLU 582 7.230 -11.055 19.103 29 HG2 GLU 582 2HG GLU 582 8.494 -13.069 19.525 30 HG3 GLU 582 1HG GLU 582 9.667 -12.162 20.473 31 H PHE 583 H PHE 583 9.417 -8.140 18.791 32 HA PHE 583 HA PHE 583 7.453 -7.348 16.819 33 HB2 PHE 583 2HB PHE 583 8.874 -5.687 18.930 34 HB3 PHE 583 1HB PHE 583 7.691 -5.065 17.803 35 HD1 PHE 583 2HD PHE 583 8.166 -7.424 20.607 36 HD2 PHE 583 1HD PHE 583 5.400 -5.255 18.230 37 HE1 PHE 583 2HE PHE 583 6.362 -7.999 22.190 38 HE2 PHE 583 1HE PHE 583 3.594 -5.817 19.799 39 HZ PHE 583 HZ PHE 583 4.075 -7.197 21.785 40 H LEU 584 H LEU 584 10.604 -7.967 16.688 41 HA LEU 584 HA LEU 584 11.247 -5.696 14.927 42 HB2 LEU 584 2HB LEU 584 12.723 -5.947 16.856 43 HB3 LEU 584 1HB LEU 584 13.095 -7.585 16.364 44 HG LEU 584 HG LEU 584 14.167 -6.707 14.321 45 HD13 LEU 584 1HD LEU 584 13.696 -4.009 15.577 46 HD21 LEU 584 2HD LEU 584 15.234 -5.601 16.912 47 H SER 585 H SER 585 11.208 -9.223 15.099 48 HA SER 585 HA SER 585 12.575 -9.493 12.609 49 HB2 SER 585 2HB SER 585 11.206 -11.587 14.286 50 HB3 SER 585 1HB SER 585 12.363 -11.868 12.981 51 HG SER 585 HG SER 585 12.724 -11.009 15.553 52 H ARG 586 H ARG 586 11.552 -8.886 10.876 53 HA ARG 586 HA ARG 586 8.971 -10.174 10.231 54 HB2 ARG 586 2HB ARG 586 8.340 -8.232 8.951 55 HB3 ARG 586 1HB ARG 586 8.830 -7.633 10.523 56 HG2 ARG 586 2HG ARG 586 11.075 -7.097 9.519 57 HG3 ARG 586 1HG ARG 586 10.349 -7.614 7.981 58 HD2 ARG 586 2HD ARG 586 8.668 -5.840 8.150 59 HD3 ARG 586 1HD ARG 586 9.337 -5.347 9.691 60 HE ARG 586 HE ARG 586 11.459 -5.210 8.048 61 HH12 ARG 586 1HH ARG 586 8.711 -2.367 7.062 62 HH21 ARG 586 2HH ARG 586 10.997 -2.092 6.445 63 H THR 587 H THR 587 8.946 -11.040 8.119 64 HA THR 587 HA THR 587 11.638 -11.318 7.016 65 HB THR 587 HB THR 587 9.229 -12.888 6.089 66 HG1 THR 587 1HG THR 587 9.389 -14.133 7.785 67 HG21 THR 587 2HG THR 587 12.192 -13.415 6.245 68 H GLU 588 H GLU 588 12.089 -10.577 4.924 69 HA GLU 588 HA GLU 588 9.874 -9.095 3.709 70 HB2 GLU 588 2HB GLU 588 12.809 -8.428 3.646 71 HB3 GLU 588 1HB GLU 588 11.521 -7.502 2.885 72 HG2 GLU 588 2HG GLU 588 10.526 -7.098 5.090 73 HG3 GLU 588 1HG GLU 588 11.850 -7.992 5.834 74 H GLY 589 H GLY 589 9.587 -9.128 1.561 75 HA2 GLY 589 2HA GLY 589 11.281 -10.949 -0.016 76 HA3 GLY 589 1HA GLY 589 9.528 -10.934 -0.191 77 H ASP 590 H ASP 590 9.992 -10.378 -2.488 78 HA ASP 590 HA ASP 590 10.023 -7.503 -2.719 79 HB2 ASP 590 2HB ASP 590 12.431 -8.155 -2.833 80 HB3 ASP 590 1HB ASP 590 12.059 -9.155 -4.232 81 H ASN 591 H ASN 591 9.159 -6.762 -4.690 82 HA ASN 591 HA ASN 591 7.659 -6.724 -6.319 83 HB2 ASN 591 2HB ASN 591 9.106 -9.225 -7.072 84 HB3 ASN 591 1HB ASN 591 7.662 -8.774 -7.970 85 HD21 ASN 591 2HD ASN 591 9.983 -7.199 -10.060 86 H CYS 592 H CYS 592 6.169 -6.763 -4.574 87 HA CYS 592 HA CYS 592 4.090 -7.159 -3.833 88 HB2 CYS 592 2HB CYS 592 3.869 -8.650 -6.428 89 HB3 CYS 592 1HB CYS 592 2.498 -8.276 -5.383 90 H THR 593 H THR 593 6.264 -9.278 -3.315 91 HA THR 593 HA THR 593 4.417 -11.180 -2.193 92 HB THR 593 HB THR 593 6.012 -13.057 -2.814 93 HG1 THR 593 1HG THR 593 6.900 -11.129 -4.677 94 HG21 THR 593 2HG THR 593 3.867 -12.829 -3.980 95 H VAL 594 H VAL 594 5.196 -12.226 -0.413 96 HA VAL 594 HA VAL 594 7.842 -11.600 0.502 97 HB VAL 594 HB VAL 594 6.613 -9.883 1.659 98 HG13 VAL 594 1HG VAL 594 4.635 -10.340 3.033 99 HG21 VAL 594 2HG VAL 594 8.238 -11.193 2.961 100 H PHE 595 H PHE 595 8.773 -13.247 1.641 101 HA PHE 595 HA PHE 595 7.126 -15.627 1.944 102 HB2 PHE 595 2HB PHE 595 8.952 -16.942 0.907 103 HB3 PHE 595 1HB PHE 595 8.199 -15.825 -0.224 104 HD1 PHE 595 1HD PHE 595 9.415 -13.770 -0.909 105 HD2 PHE 595 2HD PHE 595 11.257 -16.764 1.494 106 HE1 PHE 595 1HE PHE 595 11.619 -12.827 -1.429 107 HE2 PHE 595 2HE PHE 595 13.464 -15.819 0.974 108 HZ PHE 595 HZ PHE 595 13.636 -13.838 -0.493 109 H ASP 596 H ASP 596 7.643 -16.855 3.623 110 HA ASP 596 HA ASP 596 9.918 -16.046 5.345 111 HB2 ASP 596 2HB ASP 596 7.500 -17.786 5.939 112 HB3 ASP 596 1HB ASP 596 8.840 -17.583 7.045 113 H SER 597 H SER 597 11.692 -17.142 4.861 114 HA SER 597 HA SER 597 11.728 -19.615 3.497 115 HB2 SER 597 2HB SER 597 13.885 -18.354 5.208 116 HB3 SER 597 1HB SER 597 14.116 -19.526 3.910 117 HG SER 597 HG SER 597 13.343 -17.988 2.447 118 H GLN 598 H GLN 598 11.498 -18.615 6.706 119 HA GLN 598 HA GLN 598 12.365 -20.787 8.267 120 HB2 GLN 598 2HB GLN 598 10.148 -18.815 8.724 121 HB3 GLN 598 1HB GLN 598 10.939 -19.778 9.964 122 HG2 GLN 598 2HG GLN 598 12.895 -18.558 9.835 123 HG3 GLN 598 1HG GLN 598 12.527 -17.957 8.227 124 HE21 GLN 598 2HE GLN 598 10.689 -15.209 9.245 125 H ALA 599 H ALA 599 9.156 -19.937 6.957 126 HA ALA 599 HA ALA 599 8.067 -22.462 7.945 127 HB1 ALA 599 1HB ALA 599 6.896 -20.402 8.554 128 HB2 ALA 599 2HB ALA 599 5.885 -21.474 7.582 129 HB3 ALA 599 3HB ALA 599 6.630 -20.055 6.848 130 H GLY 600 H GLY 600 9.165 -21.045 5.032 131 HA2 GLY 600 2HA GLY 600 9.049 -21.795 2.853 132 HA3 GLY 600 1HA GLY 600 8.202 -23.229 3.441 133 H PHE 601 H PHE 601 7.559 -19.780 3.541 134 HA PHE 601 HA PHE 601 4.769 -20.273 2.671 135 HB2 PHE 601 2HB PHE 601 4.951 -19.912 5.094 136 HB3 PHE 601 1HB PHE 601 5.861 -18.445 4.813 137 HD1 PHE 601 1HD PHE 601 2.552 -20.023 4.550 138 HD2 PHE 601 2HD PHE 601 4.725 -16.345 4.412 139 HE1 PHE 601 1HE PHE 601 0.454 -18.776 4.683 140 HE2 PHE 601 2HE PHE 601 2.626 -15.113 4.557 141 HZ PHE 601 HZ PHE 601 0.468 -16.346 4.697 142 H SER 602 H SER 602 4.004 -18.741 1.157 143 HA SER 602 HA SER 602 5.578 -16.310 0.786 144 HB2 SER 602 2HB SER 602 4.693 -18.147 -1.454 145 HB3 SER 602 1HB SER 602 5.368 -16.536 -1.680 146 HG SER 602 HG SER 602 6.683 -18.624 -0.303 147 H PHE 603 H PHE 603 4.276 -14.603 0.902 148 HA PHE 603 HA PHE 603 1.423 -15.024 0.479 149 HB2 PHE 603 2HB PHE 603 2.669 -13.945 2.610 150 HB3 PHE 603 1HB PHE 603 2.576 -12.524 1.590 151 HD1 PHE 603 2HD PHE 603 0.379 -11.620 0.889 152 HD2 PHE 603 1HD PHE 603 0.772 -14.849 3.582 153 HE1 PHE 603 2HE PHE 603 -1.971 -11.327 1.607 154 HE2 PHE 603 1HE PHE 603 -1.561 -14.566 4.299 155 HZ PHE 603 HZ PHE 603 -2.920 -12.800 3.306 156 H ASP 604 H ASP 604 0.421 -13.825 -1.102 157 HA ASP 604 HA ASP 604 2.153 -12.137 -2.789 158 HB2 ASP 604 2HB ASP 604 1.838 -14.269 -3.901 159 HB3 ASP 604 1HB ASP 604 0.102 -14.174 -3.668 160 H LEU 605 H LEU 605 1.401 -10.170 -3.146 161 HA LEU 605 HA LEU 605 -1.497 -9.682 -2.817 162 HB2 LEU 605 2HB LEU 605 0.761 -7.795 -2.126 163 HB3 LEU 605 1HB LEU 605 -0.950 -7.435 -1.989 164 HG LEU 605 HG LEU 605 0.566 -9.471 -0.356 165 HD13 LEU 605 1HD LEU 605 0.092 -7.949 1.478 166 HD21 LEU 605 2HD LEU 605 -2.318 -8.602 -0.241 167 H THR 606 H THR 606 0.239 -10.299 -5.212 168 HA THR 606 HA THR 606 0.805 -8.055 -6.652 169 HB THR 606 HB THR 606 0.008 -10.799 -7.659 170 HG1 THR 606 1HG THR 606 1.804 -11.292 -6.614 171 HG21 THR 606 2HG THR 606 0.037 -9.062 -9.372 172 HA PRO 607 HA PRO 607 -3.656 -8.207 -8.667 173 HB2 PRO 607 2HB PRO 607 -5.630 -9.407 -7.238 174 HB3 PRO 607 1HB PRO 607 -4.675 -10.288 -8.433 175 HG2 PRO 607 2HG PRO 607 -4.342 -10.183 -5.458 176 HG3 PRO 607 1HG PRO 607 -4.319 -11.588 -6.537 177 HD2 PRO 607 2HD PRO 607 -2.043 -10.496 -5.641 178 HD3 PRO 607 1HD PRO 607 -2.181 -11.139 -7.292 179 H LEU 608 H LEU 608 -2.822 -7.690 -5.414 180 HA LEU 608 HA LEU 608 -5.156 -6.116 -4.730 181 HB2 LEU 608 2HB LEU 608 -3.497 -7.694 -3.234 182 HB3 LEU 608 1HB LEU 608 -2.690 -6.148 -3.082 183 HG LEU 608 HG LEU 608 -5.559 -6.523 -2.262 184 HD13 LEU 608 1HD LEU 608 -4.129 -8.020 -0.989 185 HD21 LEU 608 2HD LEU 608 -5.151 -4.592 -0.990 186 H THR 609 H THR 609 -2.026 -5.709 -6.079 187 HA THR 609 HA THR 609 -1.602 -2.947 -5.562 188 HB THR 609 HB THR 609 -0.511 -4.741 -7.755 189 HG1 THR 609 1HG THR 609 1.194 -5.113 -6.273 190 HG21 THR 609 2HG THR 609 -0.180 -2.341 -8.203 191 H LYS 610 H LYS 610 -2.264 -1.143 -6.794 192 HA LYS 610 HA LYS 610 -3.887 -1.716 -9.187 193 HB2 LYS 610 2HB LYS 610 -4.224 0.489 -7.201 194 HB3 LYS 610 1HB LYS 610 -5.143 0.357 -8.672 195 HG2 LYS 610 2HG LYS 610 -5.938 -1.945 -7.736 196 HG3 LYS 610 1HG LYS 610 -5.249 -1.324 -6.233 197 HD2 LYS 610 2HD LYS 610 -6.684 0.561 -6.204 198 HD3 LYS 610 1HD LYS 610 -7.309 0.188 -7.810 199 HE2 LYS 610 2HE LYS 610 -7.673 -1.499 -5.333 200 HE3 LYS 610 1HE LYS 610 -8.890 -0.432 -6.030 201 HZ1 LYS 610 3HZ LYS 610 -8.818 -1.835 -8.059 202 HZ2 LYS 610 1HZ LYS 610 -9.296 -2.695 -6.693 203 HZ3 LYS 610 2HZ LYS 610 -7.736 -2.864 -7.301 204 H LYS 611 H LYS 611 -3.486 -0.452 -10.976 205 HA LYS 611 HA LYS 611 -1.090 1.113 -10.930 206 HB2 LYS 611 2HB LYS 611 -1.538 1.553 -13.315 207 HB3 LYS 611 1HB LYS 611 -1.585 -0.157 -12.929 208 HG2 LYS 611 2HG LYS 611 -4.022 -0.105 -12.951 209 HG3 LYS 611 1HG LYS 611 -3.982 1.624 -13.306 210 HD2 LYS 611 2HD LYS 611 -2.811 1.183 -15.389 211 HD3 LYS 611 1HD LYS 611 -2.791 -0.542 -15.025 212 HE2 LYS 611 2HE LYS 611 -5.220 -0.599 -15.105 213 HE3 LYS 611 1HE LYS 611 -5.266 1.138 -15.415 214 HZ1 LYS 611 3HZ LYS 611 -4.085 0.758 -17.464 215 HZ2 LYS 611 1HZ LYS 611 -5.509 -0.130 -17.451 216 HZ3 LYS 611 2HZ LYS 611 -4.025 -0.892 -17.183 217 H ASP 612 H ASP 612 -4.359 1.760 -10.361 218 HA ASP 612 HA ASP 612 -4.102 4.636 -10.876 219 HB2 ASP 612 2HB ASP 612 -6.173 3.498 -11.591 220 HB3 ASP 612 1HB ASP 612 -6.468 2.983 -9.940 221 H ALA 613 H ALA 613 -3.631 2.429 -8.456 222 HA ALA 613 HA ALA 613 -2.944 2.501 -6.329 223 HB1 ALA 613 1HB ALA 613 -1.556 4.399 -7.076 224 HB2 ALA 613 2HB ALA 613 -2.024 4.525 -5.380 225 HB3 ALA 613 3HB ALA 613 -2.842 5.503 -6.599 226 H TYR 614 H TYR 614 -3.381 3.486 -4.147 227 HA TYR 614 HA TYR 614 -6.279 3.621 -3.724 228 HB2 TYR 614 2HB TYR 614 -4.004 2.856 -1.899 229 HB3 TYR 614 1HB TYR 614 -5.672 2.993 -1.360 230 HD1 TYR 614 2HD TYR 614 -3.446 1.194 -3.718 231 HD2 TYR 614 1HD TYR 614 -7.181 1.247 -1.705 232 HE1 TYR 614 2HE TYR 614 -3.893 -1.063 -4.515 233 HE2 TYR 614 1HE TYR 614 -7.630 -1.022 -2.481 234 HH TYR 614 HH TYR 614 -5.281 -2.966 -3.985 235 H LYS 615 H LYS 615 -7.183 5.124 -2.241 236 HA LYS 615 HA LYS 615 -5.477 7.415 -1.725 237 HB2 LYS 615 2HB LYS 615 -7.386 8.897 -2.233 238 HB3 LYS 615 1HB LYS 615 -6.808 7.994 -3.614 239 HG2 LYS 615 2HG LYS 615 -9.102 7.926 -3.852 240 HG3 LYS 615 1HG LYS 615 -8.733 6.374 -3.109 241 HD2 LYS 615 2HD LYS 615 -10.739 7.321 -2.107 242 HD3 LYS 615 1HD LYS 615 -9.439 7.247 -0.923 243 HE2 LYS 615 2HE LYS 615 -9.016 9.614 -1.174 244 HE3 LYS 615 1HE LYS 615 -10.169 9.725 -2.496 245 HZ1 LYS 615 3HZ LYS 615 -11.933 9.183 -0.995 246 HZ2 LYS 615 1HZ LYS 615 -11.127 10.522 -0.391 247 HZ3 LYS 615 2HZ LYS 615 -10.918 8.979 0.311 248 H VAL 616 H VAL 616 -5.686 8.406 0.174 249 HA VAL 616 HA VAL 616 -7.835 7.603 2.029 250 HB VAL 616 HB VAL 616 -5.008 8.255 2.864 251 HG13 VAL 616 1HG VAL 616 -6.614 8.592 4.576 252 HG21 VAL 616 2HG VAL 616 -6.104 5.473 2.490 253 H GLU 617 H GLU 617 -8.628 9.511 3.104 254 HA GLU 617 HA GLU 617 -6.978 11.853 2.650 255 HB2 GLU 617 2HB GLU 617 -8.910 13.266 2.125 256 HB3 GLU 617 1HB GLU 617 -8.649 12.013 0.925 257 HG2 GLU 617 2HG GLU 617 -10.439 10.723 1.834 258 HG3 GLU 617 1HG GLU 617 -10.690 11.905 3.125 259 H THR 618 H THR 618 -7.220 13.554 4.021 260 HA THR 618 HA THR 618 -8.786 13.126 6.434 261 HB THR 618 HB THR 618 -6.846 14.035 7.755 262 HG1 THR 618 1HG THR 618 -5.550 13.729 5.270 263 HG21 THR 618 2HG THR 618 -6.227 11.457 6.299 264 H ASP 619 H ASP 619 -8.438 15.387 7.693 265 HA ASP 619 HA ASP 619 -9.329 17.446 5.923 266 HB2 ASP 619 2HB ASP 619 -8.534 17.552 8.836 267 HB3 ASP 619 1HB ASP 619 -9.146 18.938 7.946 268 H LYS 620 H LYS 620 -6.335 16.357 6.948 269 HA LYS 620 HA LYS 620 -5.044 18.899 6.395 270 HB2 LYS 620 2HB LYS 620 -3.836 16.337 7.482 271 HB3 LYS 620 1HB LYS 620 -2.932 17.806 7.179 272 HG2 LYS 620 2HG LYS 620 -3.338 17.784 9.501 273 HG3 LYS 620 1HG LYS 620 -4.478 18.949 8.843 274 HD2 LYS 620 2HD LYS 620 -5.703 17.684 10.424 275 HD3 LYS 620 1HD LYS 620 -6.184 17.049 8.852 276 HE2 LYS 620 2HE LYS 620 -5.819 15.183 10.335 277 HE3 LYS 620 1HE LYS 620 -4.510 15.210 9.163 278 HZ1 LYS 620 3HZ LYS 620 -3.676 14.836 11.462 279 HZ2 LYS 620 1HZ LYS 620 -4.344 16.291 11.926 280 HZ3 LYS 620 2HZ LYS 620 -3.087 16.285 10.846 281 H TYR 621 H TYR 621 -4.502 15.513 5.392 282 HA TYR 621 HA TYR 621 -3.557 16.605 2.805 283 HB2 TYR 621 2HB TYR 621 -2.356 14.202 4.178 284 HB3 TYR 621 1HB TYR 621 -1.786 15.026 2.740 285 HD1 TYR 621 2HD TYR 621 -0.702 17.292 2.998 286 HD2 TYR 621 1HD TYR 621 -1.718 14.843 6.316 287 HE1 TYR 621 2HE TYR 621 0.827 18.596 4.419 288 HE2 TYR 621 1HE TYR 621 -0.221 16.094 7.748 289 HH TYR 621 HH TYR 621 1.113 19.092 6.798 290 H GLU 622 H GLU 622 -3.695 15.057 1.089 291 HA GLU 622 HA GLU 622 -5.388 12.762 1.675 292 HB2 GLU 622 2HB GLU 622 -5.937 12.693 -0.741 293 HB3 GLU 622 1HB GLU 622 -6.436 14.206 -0.014 294 HG2 GLU 622 2HG GLU 622 -4.547 15.332 -0.987 295 HG3 GLU 622 1HG GLU 622 -3.935 13.809 -1.636 296 H PHE 623 H PHE 623 -4.558 10.821 1.321 297 HA PHE 623 HA PHE 623 -1.703 10.752 0.638 298 HB2 PHE 623 2HB PHE 623 -3.300 8.838 2.359 299 HB3 PHE 623 1HB PHE 623 -1.577 8.784 2.069 300 HD1 PHE 623 2HD PHE 623 -4.265 10.725 3.707 301 HD2 PHE 623 1HD PHE 623 -0.085 10.092 3.327 302 HE1 PHE 623 2HE PHE 623 -3.879 12.151 5.674 303 HE2 PHE 623 1HE PHE 623 0.318 11.521 5.292 304 HZ PHE 623 HZ PHE 623 -1.587 12.552 6.466 305 H HIS 624 H HIS 624 -1.064 9.333 -0.858 306 HA HIS 624 HA HIS 624 -3.059 7.487 -1.917 307 HB2 HIS 624 2HB HIS 624 -1.093 9.125 -3.557 308 HB3 HIS 624 1HB HIS 624 -2.097 7.833 -4.206 309 HD1 HIS 624 1HD HIS 624 -4.583 8.381 -4.678 310 HD2 HIS 624 2HD HIS 624 -2.506 11.508 -2.874 311 HE1 HIS 624 1HE HIS 624 -6.115 10.345 -4.750 312 HE2 HIS 624 2HE HIS 624 -4.879 12.224 -3.661 313 H ILE 625 H ILE 625 -2.465 5.497 -1.922 314 HA ILE 625 HA ILE 625 0.383 4.827 -1.472 315 HB ILE 625 HB ILE 625 -2.001 3.537 -0.108 316 HG12 ILE 625 1HG ILE 625 0.010 5.477 1.053 317 HG23 ILE 625 2HG ILE 625 -0.095 2.033 -0.392 318 HD11 ILE 625 1HD ILE 625 -2.367 4.174 2.339 319 H ASN 626 H ASN 626 0.935 2.709 -2.270 320 HA ASN 626 HA ASN 626 -1.142 1.211 -3.599 321 HB2 ASN 626 2HB ASN 626 -0.138 2.813 -5.289 322 HB3 ASN 626 1HB ASN 626 1.401 1.975 -5.044 323 HD21 ASN 626 2HD ASN 626 0.282 0.405 -7.942 324 H VAL 627 H VAL 627 -0.463 -0.991 -3.983 325 HA VAL 627 HA VAL 627 0.925 -1.959 -1.721 326 HB VAL 627 HB VAL 627 0.042 -3.512 -4.154 327 HG13 VAL 627 1HG VAL 627 0.688 -4.464 -1.364 328 HG21 VAL 627 2HG VAL 627 -1.370 -2.982 -1.553 329 H CYS 628 H CYS 628 1.787 -1.536 -4.963 330 HA CYS 628 HA CYS 628 4.576 -2.170 -4.430 331 HB2 CYS 628 2HB CYS 628 3.056 -3.391 -6.739 332 HB3 CYS 628 1HB CYS 628 4.781 -3.508 -6.464 333 H GLY 629 H GLY 629 5.870 -0.894 -5.557 334 HA2 GLY 629 2HA GLY 629 6.666 0.307 -7.364 335 HA3 GLY 629 1HA GLY 629 5.100 0.114 -8.142 336 HA PRO 630 HA PRO 630 5.039 4.366 -6.684 337 HB2 PRO 630 2HB PRO 630 4.444 5.556 -8.944 338 HB3 PRO 630 1HB PRO 630 6.064 4.904 -8.700 339 HG2 PRO 630 2HG PRO 630 3.796 3.789 -10.283 340 HG3 PRO 630 1HG PRO 630 5.526 3.775 -10.658 341 HD2 PRO 630 2HD PRO 630 4.073 1.667 -9.506 342 HD3 PRO 630 1HD PRO 630 5.841 1.827 -9.527 343 H VAL 631 H VAL 631 3.356 5.929 -6.722 344 HA VAL 631 HA VAL 631 0.663 4.817 -7.083 345 HB VAL 631 HB VAL 631 -0.114 6.618 -5.565 346 HG13 VAL 631 1HG VAL 631 0.910 5.810 -3.506 347 HG21 VAL 631 2HG VAL 631 1.591 8.311 -6.016 348 H SER 632 H SER 632 -0.738 5.894 -8.416 349 HA SER 632 HA SER 632 0.581 7.877 -10.089 350 HB2 SER 632 2HB SER 632 -2.174 6.659 -10.317 351 HB3 SER 632 1HB SER 632 -1.360 7.638 -11.546 352 HG SER 632 HG SER 632 -1.186 5.034 -11.165 353 H VAL 633 H VAL 633 0.391 9.977 -9.749 354 HA VAL 633 HA VAL 633 -2.022 11.242 -8.783 355 HB VAL 633 HB VAL 633 0.619 11.744 -7.334 356 HG13 VAL 633 1HG VAL 633 -2.157 12.681 -6.691 357 HG21 VAL 633 2HG VAL 633 -0.164 9.530 -6.645 358 H GLY 634 H GLY 634 -2.016 13.411 -9.565 359 HA2 GLY 634 2HA GLY 634 -0.031 13.967 -11.594 360 HA3 GLY 634 1HA GLY 634 -1.454 14.928 -11.226 361 H ALA 635 H ALA 635 0.344 14.216 -8.483 362 HA ALA 635 HA ALA 635 1.795 16.773 -8.616 363 HB1 ALA 635 1HB ALA 635 1.187 17.244 -6.300 364 HB2 ALA 635 2HB ALA 635 0.235 15.762 -6.234 365 HB3 ALA 635 3HB ALA 635 -0.254 17.076 -7.303 366 H CYS 636 H CYS 636 2.240 13.597 -8.523 367 HA CYS 636 HA CYS 636 4.702 13.855 -7.050 368 HB2 CYS 636 2HB CYS 636 2.630 11.722 -6.441 369 HB3 CYS 636 1HB CYS 636 4.315 11.561 -5.973 370 HA PRO 637 HA PRO 637 6.359 11.987 -10.585 371 HB2 PRO 637 2HB PRO 637 8.622 10.856 -9.580 372 HB3 PRO 637 1HB PRO 637 8.422 12.603 -9.763 373 HG2 PRO 637 2HG PRO 637 8.018 10.903 -7.328 374 HG3 PRO 637 1HG PRO 637 8.904 12.430 -7.476 375 HD2 PRO 637 2HD PRO 637 6.424 12.370 -6.507 376 HD3 PRO 637 1HD PRO 637 6.965 13.695 -7.556 377 HA PRO 638 HA PRO 638 5.182 7.657 -10.879 378 HB2 PRO 638 2HB PRO 638 7.353 7.331 -12.856 379 HB3 PRO 638 1HB PRO 638 5.610 7.121 -13.061 380 HG2 PRO 638 2HG PRO 638 6.857 9.216 -14.129 381 HG3 PRO 638 1HG PRO 638 5.246 9.382 -13.408 382 HD2 PRO 638 2HD PRO 638 7.915 10.096 -12.252 383 HD3 PRO 638 1HD PRO 638 6.395 11.020 -12.259 384 H ASP 639 H ASP 639 7.872 8.538 -9.348 385 HA ASP 639 HA ASP 639 8.670 5.756 -8.872 386 HB2 ASP 639 2HB ASP 639 10.920 6.510 -8.248 387 HB3 ASP 639 1HB ASP 639 10.555 6.989 -9.895 388 H SER 640 H SER 640 6.791 7.973 -7.640 389 HA SER 640 HA SER 640 7.727 7.580 -4.902 390 HB2 SER 640 2HB SER 640 5.958 9.239 -4.269 391 HB3 SER 640 1HB SER 640 7.120 9.895 -5.416 392 HG SER 640 HG SER 640 5.523 9.396 -7.081 393 H GLY 641 H GLY 641 6.860 6.026 -3.665 394 HA2 GLY 641 2HA GLY 641 4.500 4.652 -4.753 395 HA3 GLY 641 1HA GLY 641 5.643 3.924 -3.643 396 H ALA 642 H ALA 642 5.315 6.802 -2.450 397 HA ALA 642 HA ALA 642 2.675 6.549 -1.295 398 HB1 ALA 642 1HB ALA 642 3.532 6.933 0.984 399 HB2 ALA 642 2HB ALA 642 5.187 6.878 0.369 400 HB3 ALA 642 3HB ALA 642 4.177 5.436 0.311 401 H CYS 643 H CYS 643 1.726 8.506 -1.358 402 HA CYS 643 HA CYS 643 3.362 10.940 -1.520 403 HB2 CYS 643 2HB CYS 643 3.091 10.439 -3.816 404 HB3 CYS 643 1HB CYS 643 1.434 9.910 -3.583 405 H GLN 644 H GLN 644 2.479 12.652 -0.444 406 HA GLN 644 HA GLN 644 -0.366 12.620 -0.169 407 HB2 GLN 644 2HB GLN 644 -0.010 13.894 2.099 408 HB3 GLN 644 1HB GLN 644 -0.075 12.130 2.072 409 HG2 GLN 644 2HG GLN 644 1.605 12.893 3.559 410 HG3 GLN 644 1HG GLN 644 2.374 12.185 2.152 411 HE21 GLN 644 2HE GLN 644 3.011 15.990 3.119 412 H VAL 645 H VAL 645 -1.484 14.292 -0.417 413 HA VAL 645 HA VAL 645 -0.038 16.682 -1.300 414 HB VAL 645 HB VAL 645 -2.798 15.732 -2.144 415 HG13 VAL 645 1HG VAL 645 -2.590 18.142 -2.252 416 HG21 VAL 645 2HG VAL 645 -1.784 15.220 -4.331 417 H SER 646 H SER 646 -0.433 18.458 -0.205 418 HA SER 646 HA SER 646 -2.089 18.490 2.132 419 HB2 SER 646 2HB SER 646 -0.069 19.855 2.044 420 HB3 SER 646 1HB SER 646 -0.657 20.685 0.610 421 HG SER 646 HG SER 646 -1.242 21.059 3.262 422 H ARG 647 H ARG 647 -4.101 19.274 2.331 423 HA ARG 647 HA ARG 647 -5.460 19.810 -0.173 424 HB2 ARG 647 2HB ARG 647 -6.632 19.555 2.603 425 HB3 ARG 647 1HB ARG 647 -7.530 19.576 1.089 426 HG2 ARG 647 2HG ARG 647 -6.394 17.497 0.415 427 HG3 ARG 647 1HG ARG 647 -5.583 17.462 1.977 428 HD2 ARG 647 2HD ARG 647 -7.451 15.990 2.094 429 HD3 ARG 647 1HD ARG 647 -7.839 17.418 3.048 430 HE ARG 647 HE ARG 647 -8.849 17.944 0.575 431 HH12 ARG 647 1HH ARG 647 -10.917 15.003 2.427 432 HH21 ARG 647 2HH ARG 647 -11.840 16.135 0.556 433 H SER 648 H SER 648 -4.330 21.408 2.656 434 HA SER 648 HA SER 648 -5.928 23.733 2.222 435 HB2 SER 648 2HB SER 648 -3.658 23.247 4.134 436 HB3 SER 648 1HB SER 648 -4.775 24.614 4.174 437 HG SER 648 HG SER 648 -6.438 22.864 4.201 438 H ASP 649 H ASP 649 -2.473 22.865 1.698 439 HA ASP 649 HA ASP 649 -2.168 25.588 0.598 440 HB2 ASP 649 2HB ASP 649 -0.603 24.793 2.449 441 HB3 ASP 649 1HB ASP 649 0.103 23.715 1.251 442 H ARG 650 H ARG 650 -2.569 22.439 -0.368 443 HA ARG 650 HA ARG 650 -2.543 21.369 -2.348 444 HB2 ARG 650 2HB ARG 650 -2.020 24.136 -3.438 445 HB3 ARG 650 1HB ARG 650 -2.085 22.732 -4.481 446 HG2 ARG 650 2HG ARG 650 -4.214 23.777 -4.576 447 HG3 ARG 650 1HG ARG 650 -4.327 22.291 -3.628 448 HD2 ARG 650 2HD ARG 650 -4.338 23.582 -1.561 449 HD3 ARG 650 1HD ARG 650 -4.190 25.081 -2.484 450 HE ARG 650 HE ARG 650 -6.368 23.731 -3.484 451 HH12 ARG 650 1HH ARG 650 -7.136 25.599 0.046 452 HH21 ARG 650 2HH ARG 650 -8.907 24.958 -1.425 453 H LYS 651 H LYS 651 -0.150 21.753 -0.760 454 HA LYS 651 HA LYS 651 2.019 21.408 -2.692 455 HB2 LYS 651 2HB LYS 651 2.032 21.195 0.314 456 HB3 LYS 651 1HB LYS 651 3.438 20.922 -0.694 457 HG2 LYS 651 2HG LYS 651 3.319 23.204 -1.480 458 HG3 LYS 651 1HG LYS 651 1.876 23.449 -0.489 459 HD2 LYS 651 2HD LYS 651 3.149 23.031 1.530 460 HD3 LYS 651 1HD LYS 651 4.582 22.645 0.578 461 HE2 LYS 651 2HE LYS 651 4.627 24.931 -0.267 462 HE3 LYS 651 1HE LYS 651 3.196 25.321 0.688 463 HZ1 LYS 651 3HZ LYS 651 5.224 26.036 1.751 464 HZ2 LYS 651 1HZ LYS 651 5.813 24.447 1.774 465 HZ3 LYS 651 2HZ LYS 651 4.446 24.865 2.682 466 H SER 652 H SER 652 3.459 19.509 -2.389 467 HA SER 652 HA SER 652 2.119 17.095 -1.509 468 HB2 SER 652 2HB SER 652 2.614 15.946 -3.682 469 HB3 SER 652 1HB SER 652 1.398 17.222 -3.819 470 HG SER 652 HG SER 652 3.354 17.013 -5.350 471 H TRP 653 H TRP 653 3.549 15.446 -0.974 472 HA TRP 653 HA TRP 653 6.400 15.923 -1.354 473 HB2 TRP 653 2HB TRP 653 5.094 15.315 1.299 474 HB3 TRP 653 1HB TRP 653 6.827 15.385 1.015 475 HD1 TRP 653 HD TRP 653 7.909 17.860 0.899 476 HE1 TRP 653 1HE TRP 653 7.055 20.133 1.728 477 HE3 TRP 653 3HE TRP 653 2.978 16.689 1.473 478 HZ2 TRP 653 2HZ TRP 653 4.564 21.280 2.533 479 HZ3 TRP 653 3HZ TRP 653 1.439 18.400 2.266 480 HH2 TRP 653 HH TRP 653 2.214 20.660 2.786 481 H ASN 654 H ASN 654 7.628 13.898 -1.003 482 HA ASN 654 HA ASN 654 5.939 11.588 -1.507 483 HB2 ASN 654 2HB ASN 654 8.968 11.778 -1.480 484 HB3 ASN 654 1HB ASN 654 8.050 10.334 -1.861 485 HD21 ASN 654 2HD ASN 654 9.237 12.075 -4.923 486 H LEU 655 H LEU 655 5.576 10.080 -0.072 487 HA LEU 655 HA LEU 655 6.687 10.355 2.654 488 HB2 LEU 655 2HB LEU 655 4.512 8.663 1.486 489 HB3 LEU 655 1HB LEU 655 4.990 8.645 3.168 490 HG LEU 655 HG LEU 655 3.844 11.003 1.727 491 HD13 LEU 655 1HD LEU 655 2.216 9.141 1.963 492 HD21 LEU 655 2HD LEU 655 3.511 11.872 4.005 493 H GLY 656 H GLY 656 7.207 8.741 -0.186 494 HA2 GLY 656 2HA GLY 656 9.434 7.463 0.670 495 HA3 GLY 656 1HA GLY 656 8.155 6.272 0.818 496 H ARG 657 H ARG 657 10.409 6.293 -0.938 497 HA ARG 657 HA ARG 657 9.367 6.927 -3.545 498 HB2 ARG 657 2HB ARG 657 11.739 7.405 -2.707 499 HB3 ARG 657 1HB ARG 657 12.036 5.678 -2.873 500 HG2 ARG 657 2HG ARG 657 11.672 5.774 -5.178 501 HG3 ARG 657 1HG ARG 657 11.112 7.460 -5.100 502 HD2 ARG 657 2HD ARG 657 13.431 7.963 -4.171 503 HD3 ARG 657 1HD ARG 657 13.876 6.344 -4.704 504 HE ARG 657 HE ARG 657 12.616 7.898 -6.739 505 HH12 ARG 657 1HH ARG 657 16.664 7.798 -6.495 506 HH21 ARG 657 2HH ARG 657 15.620 8.628 -8.424 507 H SER 658 H SER 658 9.224 5.263 -5.194 508 HA SER 658 HA SER 658 7.617 3.181 -4.411 509 HB2 SER 658 2HB SER 658 7.777 2.454 -6.749 510 HB3 SER 658 1HB SER 658 7.446 4.172 -6.558 511 HG SER 658 HG SER 658 9.531 2.923 -7.755 512 H ASN 659 H ASN 659 7.751 1.011 -4.395 513 HA ASN 659 HA ASN 659 9.909 -0.530 -5.253 514 HB2 ASN 659 2HB ASN 659 10.753 -1.441 -3.170 515 HB3 ASN 659 1HB ASN 659 10.889 0.302 -3.030 516 HD21 ASN 659 2HD ASN 659 8.735 0.466 -0.284 517 H ALA 660 H ALA 660 9.377 -2.874 -4.617 518 HA ALA 660 HA ALA 660 6.470 -3.137 -4.182 519 HB1 ALA 660 1HB ALA 660 8.227 -4.696 -6.092 520 HB2 ALA 660 2HB ALA 660 7.037 -3.478 -6.549 521 HB3 ALA 660 3HB ALA 660 6.509 -4.990 -5.807 522 H LYS 661 H LYS 661 8.758 -3.257 -2.335 523 HA LYS 661 HA LYS 661 9.195 -6.020 -1.838 524 HB2 LYS 661 2HB LYS 661 11.105 -4.539 -1.906 525 HB3 LYS 661 1HB LYS 661 10.325 -3.406 -0.836 526 HG2 LYS 661 2HG LYS 661 11.225 -6.171 -0.025 527 HG3 LYS 661 1HG LYS 661 12.194 -4.706 0.138 528 HD2 LYS 661 2HD LYS 661 9.482 -4.926 1.249 529 HD3 LYS 661 1HD LYS 661 10.841 -5.549 2.227 530 HE2 LYS 661 2HE LYS 661 10.232 -3.304 2.976 531 HE3 LYS 661 1HE LYS 661 11.750 -3.180 2.101 532 HZ1 LYS 661 3HZ LYS 661 10.087 -1.428 1.584 533 HZ2 LYS 661 1HZ LYS 661 9.109 -2.585 0.852 534 HZ3 LYS 661 2HZ LYS 661 10.667 -2.213 0.265 535 H LEU 662 H LEU 662 7.845 -7.032 -0.565 536 HA LEU 662 HA LEU 662 6.242 -5.517 1.347 537 HB2 LEU 662 2HB LEU 662 6.037 -8.388 0.444 538 HB3 LEU 662 1HB LEU 662 4.943 -7.613 1.577 539 HG LEU 662 HG LEU 662 5.245 -7.141 -1.372 540 HD13 LEU 662 1HD LEU 662 3.011 -8.227 0.312 541 HD21 LEU 662 2HD LEU 662 3.435 -5.726 0.582 542 H SER 663 H SER 663 6.430 -5.918 3.489 543 HA SER 663 HA SER 663 8.476 -7.808 4.340 544 HB2 SER 663 2HB SER 663 7.360 -5.381 5.778 545 HB3 SER 663 1HB SER 663 8.766 -6.347 6.237 546 HG SER 663 HG SER 663 9.987 -5.244 4.798 547 H TYR 664 H TYR 664 7.793 -9.112 6.208 548 HA TYR 664 HA TYR 664 4.904 -9.028 6.710 549 HB2 TYR 664 2HB TYR 664 5.404 -10.732 5.081 550 HB3 TYR 664 1HB TYR 664 6.624 -11.385 6.183 551 HD1 TYR 664 2HD TYR 664 2.848 -10.561 6.339 552 HD2 TYR 664 1HD TYR 664 5.988 -13.373 7.167 553 HE1 TYR 664 2HE TYR 664 1.283 -12.004 7.055 554 HE2 TYR 664 1HE TYR 664 4.300 -14.936 7.963 555 HH TYR 664 HH TYR 664 0.950 -14.445 7.432 556 H TYR 665 H TYR 665 4.526 -8.771 8.732 557 HA TYR 665 HA TYR 665 6.469 -9.410 10.778 558 HB2 TYR 665 2HB TYR 665 5.024 -7.308 10.737 559 HB3 TYR 665 1HB TYR 665 3.617 -8.338 10.918 560 HD1 TYR 665 1HD TYR 665 6.791 -7.394 12.558 561 HD2 TYR 665 2HD TYR 665 2.840 -8.860 13.068 562 HE1 TYR 665 1HE TYR 665 7.058 -7.222 14.963 563 HE2 TYR 665 2HE TYR 665 3.085 -8.702 15.509 564 HH TYR 665 HH TYR 665 4.892 -8.680 17.150 565 H ASP 666 H ASP 666 4.894 -10.562 12.766 566 HA ASP 666 HA ASP 666 4.286 -13.100 11.629 567 HB2 ASP 666 2HB ASP 666 5.096 -12.826 13.993 568 HB3 ASP 666 1HB ASP 666 3.534 -12.122 14.399 569 H GLY 667 H GLY 667 2.805 -12.651 10.068 570 HA2 GLY 667 2HA GLY 667 0.508 -13.189 9.555 571 HA3 GLY 667 1HA GLY 667 0.078 -12.386 11.046 572 H MET 668 H MET 668 1.336 -10.010 10.842 573 HA MET 668 HA MET 668 -0.375 -8.737 8.905 574 HB2 MET 668 2HB MET 668 1.572 -7.504 10.859 575 HB3 MET 668 1HB MET 668 0.521 -6.593 9.797 576 HG2 MET 668 2HG MET 668 -0.424 -6.583 11.969 577 HG3 MET 668 1HG MET 668 -1.422 -7.625 10.966 578 HE1 MET 668 3HE MET 668 -2.552 -8.542 13.181 579 HE2 MET 668 1HE MET 668 -1.504 -7.491 14.137 580 HE3 MET 668 2HE MET 668 -1.643 -9.197 14.544 581 H ILE 669 H ILE 669 0.232 -8.532 6.902 582 HA ILE 669 HA ILE 669 2.970 -8.421 6.116 583 HB ILE 669 HB ILE 669 0.413 -7.816 4.726 584 HG12 ILE 669 1HG ILE 669 1.087 -9.533 3.120 585 HG23 ILE 669 2HG ILE 669 3.166 -7.469 3.514 586 HD11 ILE 669 1HD ILE 669 -0.547 -10.179 4.662 587 H GLN 670 H GLN 670 4.217 -6.656 5.776 588 HA GLN 670 HA GLN 670 3.019 -4.066 6.416 589 HB2 GLN 670 2HB GLN 670 5.800 -4.984 7.145 590 HB3 GLN 670 1HB GLN 670 5.113 -3.400 7.470 591 HG2 GLN 670 2HG GLN 670 3.405 -4.497 8.884 592 HG3 GLN 670 1HG GLN 670 4.246 -6.023 8.614 593 HE21 GLN 670 2HE GLN 670 5.630 -3.264 11.224 594 H LEU 671 H LEU 671 3.350 -2.649 4.986 595 HA LEU 671 HA LEU 671 5.094 -3.300 2.662 596 HB2 LEU 671 2HB LEU 671 2.497 -2.691 2.684 597 HB3 LEU 671 1HB LEU 671 3.126 -1.058 2.702 598 HG LEU 671 HG LEU 671 3.279 -3.144 0.561 599 HD13 LEU 671 1HD LEU 671 1.320 -1.942 0.461 600 HD21 LEU 671 2HD LEU 671 4.844 -0.561 0.553 601 H THR 672 H THR 672 6.804 -1.742 2.276 602 HA THR 672 HA THR 672 6.702 0.530 4.097 603 HB THR 672 HB THR 672 9.139 -1.271 3.849 604 HG1 THR 672 1HG THR 672 6.951 -1.313 5.404 605 HG21 THR 672 2HG THR 672 9.701 1.106 4.216 606 H TYR 673 H TYR 673 7.208 2.348 3.212 607 HA TYR 673 HA TYR 673 8.759 2.361 0.739 608 HB2 TYR 673 2HB TYR 673 6.455 4.144 1.559 609 HB3 TYR 673 1HB TYR 673 7.576 4.540 0.255 610 HD1 TYR 673 1HD TYR 673 7.761 3.114 -1.678 611 HD2 TYR 673 2HD TYR 673 4.717 2.546 1.215 612 HE1 TYR 673 1HE TYR 673 6.556 1.776 -3.262 613 HE2 TYR 673 2HE TYR 673 3.457 1.182 -0.377 614 HH TYR 673 HH TYR 673 3.302 0.694 -2.721 615 H ARG 674 H ARG 674 10.708 3.133 1.132 616 HA ARG 674 HA ARG 674 11.057 5.113 3.250 617 HB2 ARG 674 2HB ARG 674 13.029 3.235 1.948 618 HB3 ARG 674 1HB ARG 674 13.453 4.444 3.145 619 HG2 ARG 674 2HG ARG 674 12.052 3.333 4.792 620 HG3 ARG 674 1HG ARG 674 11.568 2.138 3.591 621 HD2 ARG 674 2HD ARG 674 13.327 1.271 5.057 622 HD3 ARG 674 1HD ARG 674 13.884 1.396 3.391 623 HE ARG 674 HE ARG 674 14.589 3.754 4.577 624 HH12 ARG 674 1HH ARG 674 16.855 0.641 5.796 625 HH21 ARG 674 2HH ARG 674 17.671 2.888 5.958 626 H ASP 675 H ASP 675 13.156 6.453 2.660 627 HA ASP 675 HA ASP 675 14.236 7.978 1.377 628 HB2 ASP 675 2HB ASP 675 14.294 6.122 -0.527 629 HB3 ASP 675 1HB ASP 675 12.847 6.889 -1.075 630 H GLY 676 H GLY 676 11.452 8.206 2.445 631 HA2 GLY 676 2HA GLY 676 9.891 9.908 0.853 632 HA3 GLY 676 1HA GLY 676 9.853 9.830 2.607 633 H THR 677 H THR 677 9.452 12.206 1.325 634 HA THR 677 HA THR 677 11.821 13.714 0.951 635 HB THR 677 HB THR 677 8.980 14.671 1.416 636 HG1 THR 677 1HG THR 677 10.363 13.756 -0.888 637 HG21 THR 677 2HG THR 677 10.677 16.455 1.593 638 HA PRO 678 HA PRO 678 12.375 14.656 5.394 639 HB2 PRO 678 2HB PRO 678 14.425 16.524 4.400 640 HB3 PRO 678 1HB PRO 678 14.611 15.140 5.482 641 HG2 PRO 678 2HG PRO 678 15.561 15.049 3.001 642 HG3 PRO 678 1HG PRO 678 14.775 13.642 3.760 643 HD2 PRO 678 2HD PRO 678 13.599 15.609 1.812 644 HD3 PRO 678 1HD PRO 678 13.566 13.828 1.783 645 H TYR 679 H TYR 679 11.403 16.176 6.545 646 HA TYR 679 HA TYR 679 10.755 18.762 5.215 647 HB2 TYR 679 2HB TYR 679 9.279 17.698 7.614 648 HB3 TYR 679 1HB TYR 679 8.765 18.927 6.474 649 HD1 TYR 679 1HD TYR 679 9.107 15.434 7.150 650 HD2 TYR 679 2HD TYR 679 7.746 18.246 4.306 651 HE1 TYR 679 1HE TYR 679 7.879 13.685 6.045 652 HE2 TYR 679 2HE TYR 679 6.474 16.418 3.153 653 HH TYR 679 HH TYR 679 6.520 14.012 2.958 654 H ASN 680 H ASN 680 10.993 17.450 8.511 655 HA ASN 680 HA ASN 680 12.195 19.968 9.391 656 HB2 ASN 680 2HB ASN 680 10.583 17.931 10.945 657 HB3 ASN 680 1HB ASN 680 11.340 19.352 11.647 658 HD21 ASN 680 2HD ASN 680 7.716 19.873 10.772 659 H ASN 681 H ASN 681 13.086 19.130 11.867 660 HA ASN 681 HA ASN 681 14.819 18.307 12.972 661 HB2 ASN 681 2HB ASN 681 14.243 15.997 12.265 662 HB3 ASN 681 1HB ASN 681 15.037 16.238 10.724 663 HD21 ASN 681 2HD ASN 681 17.078 14.296 13.283 664 H GLU 682 H GLU 682 16.927 18.869 13.159 665 HA GLU 682 HA GLU 682 17.777 20.977 11.538 666 HB2 GLU 682 2HB GLU 682 18.378 20.609 13.917 667 HB3 GLU 682 1HB GLU 682 19.416 19.292 13.420 668 HG2 GLU 682 2HG GLU 682 20.836 20.817 12.208 669 HG3 GLU 682 1HG GLU 682 19.765 22.165 12.601 670 H LYS 683 H LYS 683 18.747 17.587 11.595 671 HA LYS 683 HA LYS 683 20.652 17.948 9.444 672 HB2 LYS 683 2HB LYS 683 21.095 16.299 11.222 673 HB3 LYS 683 1HB LYS 683 19.623 15.445 10.813 674 HG2 LYS 683 2HG LYS 683 21.602 14.278 9.976 675 HG3 LYS 683 1HG LYS 683 20.566 14.816 8.654 676 HD2 LYS 683 2HD LYS 683 22.925 15.201 8.134 677 HD3 LYS 683 1HD LYS 683 22.052 16.725 8.267 678 HE2 LYS 683 2HE LYS 683 22.928 17.014 10.546 679 HE3 LYS 683 1HE LYS 683 23.794 15.483 10.401 680 HZ1 LYS 683 3HZ LYS 683 25.230 17.383 9.988 681 HZ2 LYS 683 1HZ LYS 683 24.247 17.897 8.726 682 HZ3 LYS 683 2HZ LYS 683 25.100 16.450 8.601 683 H ARG 684 H ARG 684 17.369 17.474 9.803 684 HA ARG 684 HA ARG 684 15.617 17.138 8.483 685 HB2 ARG 684 2HB ARG 684 17.606 17.440 6.237 686 HB3 ARG 684 1HB ARG 684 15.871 17.296 5.988 687 HG2 ARG 684 2HG ARG 684 15.497 19.342 7.233 688 HG3 ARG 684 1HG ARG 684 17.226 19.460 7.573 689 HD2 ARG 684 2HD ARG 684 15.996 19.438 4.847 690 HD3 ARG 684 1HD ARG 684 16.502 20.904 5.701 691 HE ARG 684 HE ARG 684 18.720 19.348 5.711 692 HH12 ARG 684 1HH ARG 684 17.836 20.526 1.947 693 HH21 ARG 684 2HH ARG 684 20.077 19.858 2.539 694 H THR 685 H THR 685 14.669 15.359 8.666 695 HA THR 685 HA THR 685 16.098 12.975 7.802 696 HB THR 685 HB THR 685 15.713 13.023 10.221 697 HG1 THR 685 1HG THR 685 15.635 10.988 9.881 698 HG21 THR 685 2HG THR 685 13.660 14.367 10.273 699 HA PRO 686 HA PRO 686 12.942 12.336 4.692 700 HB2 PRO 686 2HB PRO 686 13.791 9.509 4.844 701 HB3 PRO 686 1HB PRO 686 13.791 10.614 3.465 702 HG2 PRO 686 2HG PRO 686 16.063 9.893 4.639 703 HG3 PRO 686 1HG PRO 686 15.824 11.550 4.050 704 HD2 PRO 686 2HD PRO 686 15.650 10.492 6.845 705 HD3 PRO 686 1HD PRO 686 16.395 11.986 6.219 706 H ARG 687 H ARG 687 10.841 11.764 4.728 707 HA ARG 687 HA ARG 687 9.539 10.744 6.980 708 HB2 ARG 687 2HB ARG 687 8.604 12.234 5.213 709 HB3 ARG 687 1HB ARG 687 8.669 10.900 4.096 710 HG2 ARG 687 2HG ARG 687 6.452 10.920 4.820 711 HG3 ARG 687 1HG ARG 687 7.234 9.613 5.712 712 HD2 ARG 687 2HD ARG 687 6.033 10.635 7.358 713 HD3 ARG 687 1HD ARG 687 7.575 11.451 7.508 714 HE ARG 687 HE ARG 687 5.792 12.796 5.730 715 HH12 ARG 687 1HH ARG 687 6.100 13.996 9.602 716 HH21 ARG 687 2HH ARG 687 4.773 15.257 8.081 717 H ALA 688 H ALA 688 8.600 8.594 7.260 718 HA ALA 688 HA ALA 688 9.350 6.643 5.222 719 HB1 ALA 688 1HB ALA 688 10.895 6.402 7.111 720 HB2 ALA 688 2HB ALA 688 9.819 5.009 6.991 721 HB3 ALA 688 3HB ALA 688 9.526 6.245 8.214 722 H THR 689 H THR 689 7.765 5.272 4.699 723 HA THR 689 HA THR 689 5.257 5.501 6.216 724 HB THR 689 HB THR 689 5.709 5.211 3.262 725 HG1 THR 689 1HG THR 689 6.083 7.232 3.888 726 HG21 THR 689 2HG THR 689 3.251 5.506 3.079 727 H LEU 690 H LEU 690 4.624 3.577 7.145 728 HA LEU 690 HA LEU 690 5.188 1.218 5.625 729 HB2 LEU 690 2HB LEU 690 6.721 1.344 7.527 730 HB3 LEU 690 1HB LEU 690 5.378 1.596 8.617 731 HG LEU 690 HG LEU 690 5.584 -0.890 6.987 732 HD13 LEU 690 1HD LEU 690 6.780 -0.392 9.737 733 HD21 LEU 690 2HD LEU 690 4.327 -0.298 9.663 734 H ILE 691 H ILE 691 3.446 0.169 5.125 735 HA ILE 691 HA ILE 691 0.931 0.891 6.433 736 HB ILE 691 HB ILE 691 1.359 -0.750 3.910 737 HG12 ILE 691 1HG ILE 691 0.205 1.179 2.754 738 HG23 ILE 691 2HG ILE 691 -0.634 -1.355 5.163 739 HD11 ILE 691 1HD ILE 691 2.886 1.850 3.902 740 H THR 692 H THR 692 -0.186 -0.607 7.651 741 HA THR 692 HA THR 692 1.110 -3.198 7.943 742 HB THR 692 HB THR 692 -0.747 -1.730 9.840 743 HG1 THR 692 1HG THR 692 1.671 -1.224 9.147 744 HG21 THR 692 2HG THR 692 1.088 -4.115 10.237 745 H PHE 693 H PHE 693 -0.024 -4.794 6.933 746 HA PHE 693 HA PHE 693 -2.777 -4.404 6.097 747 HB2 PHE 693 2HB PHE 693 -0.701 -6.493 5.497 748 HB3 PHE 693 1HB PHE 693 -2.359 -6.647 4.949 749 HD1 PHE 693 1HD PHE 693 0.076 -3.794 4.948 750 HD2 PHE 693 2HD PHE 693 -2.438 -6.353 2.697 751 HE1 PHE 693 1HE PHE 693 0.601 -2.509 2.908 752 HE2 PHE 693 2HE PHE 693 -1.922 -5.043 0.639 753 HZ PHE 693 HZ PHE 693 -0.392 -3.139 0.768 754 H LEU 694 H LEU 694 -4.336 -5.002 7.372 755 HA LEU 694 HA LEU 694 -4.005 -7.395 9.038 756 HB2 LEU 694 2HB LEU 694 -5.880 -5.045 9.391 757 HB3 LEU 694 1HB LEU 694 -5.988 -6.514 10.323 758 HG LEU 694 HG LEU 694 -3.679 -5.979 11.223 759 HD13 LEU 694 1HD LEU 694 -2.945 -4.429 9.504 760 HD21 LEU 694 2HD LEU 694 -5.872 -4.003 11.751 761 H CYS 695 H CYS 695 -5.924 -8.744 9.201 762 HA CYS 695 HA CYS 695 -7.468 -8.688 6.694 763 HB2 CYS 695 2HB CYS 695 -5.951 -10.665 7.050 764 HB3 CYS 695 1HB CYS 695 -6.839 -11.066 8.495 765 H ASP 696 H ASP 696 -7.758 -7.450 9.367 766 HA ASP 696 HA ASP 696 -10.101 -8.644 10.582 767 HB2 ASP 696 2HB ASP 696 -8.365 -7.624 11.990 768 HB3 ASP 696 1HB ASP 696 -8.596 -6.082 11.182 769 H ARG 697 H ARG 697 -12.076 -8.209 9.901 770 HA ARG 697 HA ARG 697 -13.901 -7.221 9.023 771 HB2 ARG 697 2HB ARG 697 -13.210 -5.186 10.347 772 HB3 ARG 697 1HB ARG 697 -12.314 -4.632 8.942 773 HG2 ARG 697 2HG ARG 697 -14.417 -4.533 7.668 774 HG3 ARG 697 1HG ARG 697 -15.295 -5.032 9.115 775 HD2 ARG 697 2HD ARG 697 -15.480 -2.663 8.996 776 HD3 ARG 697 1HD ARG 697 -14.316 -3.027 10.267 777 HE ARG 697 HE ARG 697 -13.297 -2.465 7.616 778 HH12 ARG 697 1HH ARG 697 -12.808 0.091 10.738 779 HH21 ARG 697 2HH ARG 697 -11.793 0.556 8.645 780 H ASP 698 H ASP 698 -14.671 -7.333 7.002 781 HA ASP 698 HA ASP 698 -12.698 -7.630 4.922 782 HB2 ASP 698 2HB ASP 698 -14.613 -9.213 5.075 783 HB3 ASP 698 1HB ASP 698 -15.709 -7.886 4.706 784 H ALA 699 H ALA 699 -12.086 -6.134 3.655 785 HA ALA 699 HA ALA 699 -13.835 -3.833 3.078 786 HB1 ALA 699 1HB ALA 699 -10.837 -3.866 3.424 787 HB2 ALA 699 2HB ALA 699 -11.996 -3.203 4.575 788 HB3 ALA 699 3HB ALA 699 -11.801 -2.458 2.984 789 H GLY 700 H GLY 700 -13.449 -6.410 1.734 790 HA2 GLY 700 2HA GLY 700 -13.234 -7.199 -0.386 791 HA3 GLY 700 1HA GLY 700 -13.123 -5.530 -0.920 792 H VAL 701 H VAL 701 -11.316 -4.933 -1.786 793 HA VAL 701 HA VAL 701 -9.053 -6.718 -1.835 794 HB VAL 701 HB VAL 701 -9.302 -3.943 -3.051 795 HG13 VAL 701 1HG VAL 701 -7.453 -6.223 -3.728 796 HG21 VAL 701 2HG VAL 701 -11.075 -5.412 -3.847 797 H GLY 702 H GLY 702 -10.048 -4.013 -0.030 798 HA2 GLY 702 2HA GLY 702 -8.783 -3.796 2.075 799 HA3 GLY 702 1HA GLY 702 -7.342 -3.843 1.065 800 H PHE 703 H PHE 703 -9.042 -1.861 2.843 801 HA PHE 703 HA PHE 703 -8.377 0.369 1.081 802 HB2 PHE 703 2HB PHE 703 -10.843 0.199 1.541 803 HB3 PHE 703 1HB PHE 703 -10.492 0.418 3.254 804 HD1 PHE 703 2HD PHE 703 -10.289 2.009 -0.063 805 HD2 PHE 703 1HD PHE 703 -10.113 2.595 4.151 806 HE1 PHE 703 2HE PHE 703 -10.321 4.434 -0.411 807 HE2 PHE 703 1HE PHE 703 -10.148 5.038 3.806 808 HZ PHE 703 HZ PHE 703 -10.244 5.952 1.505 809 HA PRO 704 HA PRO 704 -5.516 1.148 4.427 810 HB2 PRO 704 2HB PRO 704 -4.145 3.123 3.252 811 HB3 PRO 704 1HB PRO 704 -3.964 1.435 2.762 812 HG2 PRO 704 2HG PRO 704 -5.474 3.635 1.432 813 HG3 PRO 704 1HG PRO 704 -4.541 2.316 0.710 814 HD2 PRO 704 2HD PRO 704 -7.305 2.364 0.972 815 HD3 PRO 704 1HD PRO 704 -6.323 0.905 0.731 816 H GLU 705 H GLU 705 -5.650 2.429 6.142 817 HA GLU 705 HA GLU 705 -6.883 5.059 5.836 818 HB2 GLU 705 2HB GLU 705 -7.139 3.074 8.063 819 HB3 GLU 705 1HB GLU 705 -7.684 4.749 8.211 820 HG2 GLU 705 2HG GLU 705 -9.193 4.312 6.242 821 HG3 GLU 705 1HG GLU 705 -8.707 2.628 6.334 822 H TYR 706 H TYR 706 -6.020 6.718 7.061 823 HA TYR 706 HA TYR 706 -3.188 6.416 7.613 824 HB2 TYR 706 2HB TYR 706 -3.905 8.333 6.335 825 HB3 TYR 706 1HB TYR 706 -5.019 8.812 7.604 826 HD1 TYR 706 1HD TYR 706 -1.368 7.924 7.518 827 HD2 TYR 706 2HD TYR 706 -4.341 10.743 8.633 828 HE1 TYR 706 1HE TYR 706 0.366 9.350 8.482 829 HE2 TYR 706 2HE TYR 706 -2.598 12.208 9.590 830 HH TYR 706 HH TYR 706 -0.354 11.994 10.501 831 H GLN 707 H GLN 707 -2.299 6.066 9.524 832 HA GLN 707 HA GLN 707 -3.859 6.687 11.936 833 HB2 GLN 707 2HB GLN 707 -1.305 5.087 11.781 834 HB3 GLN 707 1HB GLN 707 -2.451 5.170 13.106 835 HG2 GLN 707 2HG GLN 707 -4.076 3.921 11.597 836 HG3 GLN 707 1HG GLN 707 -2.693 3.792 10.489 837 HE21 GLN 707 2HE GLN 707 -1.810 1.977 13.990 838 H GLU 708 H GLU 708 -3.007 8.297 13.197 839 HA GLU 708 HA GLU 708 -0.656 9.615 12.183 840 HB2 GLU 708 2HB GLU 708 -2.444 10.317 14.517 841 HB3 GLU 708 1HB GLU 708 -1.131 11.322 13.918 842 HG2 GLU 708 2HG GLU 708 -2.268 11.500 11.751 843 HG3 GLU 708 1HG GLU 708 -3.590 10.522 12.382 844 H GLU 709 H GLU 709 0.961 8.243 12.543 845 HA GLU 709 HA GLU 709 1.609 7.520 15.334 846 HB2 GLU 709 2HB GLU 709 2.160 5.970 12.803 847 HB3 GLU 709 1HB GLU 709 2.666 5.512 14.417 848 HG2 GLU 709 2HG GLU 709 -0.191 5.771 13.516 849 HG3 GLU 709 1HG GLU 709 0.716 4.264 13.592 850 H ASP 710 H ASP 710 3.558 8.218 15.986 851 HA ASP 710 HA ASP 710 5.747 8.787 16.050 852 HB2 ASP 710 2HB ASP 710 6.054 6.717 14.695 853 HB3 ASP 710 1HB ASP 710 5.855 7.654 13.233 854 H ASN 711 H ASN 711 7.421 10.229 14.969 855 HA ASN 711 HA ASN 711 6.157 12.673 14.234 856 HB2 ASN 711 2HB ASN 711 8.133 12.699 15.660 857 HB3 ASN 711 1HB ASN 711 9.081 11.919 14.404 858 HD21 ASN 711 2HD ASN 711 9.766 14.839 12.641 859 H SER 712 H SER 712 7.864 10.131 12.506 860 HA SER 712 HA SER 712 6.907 11.312 10.082 861 HB2 SER 712 2HB SER 712 9.168 11.272 8.966 862 HB3 SER 712 1HB SER 712 8.916 12.525 10.161 863 HG SER 712 HG SER 712 10.537 10.280 10.249 864 H THR 713 H THR 713 7.682 8.486 11.755 865 HA THR 713 HA THR 713 7.466 6.999 9.238 866 HB THR 713 HB THR 713 8.131 5.929 12.013 867 HG1 THR 713 1HG THR 713 9.904 6.972 11.457 868 HG21 THR 713 2HG THR 713 8.816 3.887 10.814 869 H TYR 714 H TYR 714 5.408 7.040 8.725 870 HA TYR 714 HA TYR 714 3.365 6.799 10.774 871 HB2 TYR 714 2HB TYR 714 3.132 7.278 7.832 872 HB3 TYR 714 1HB TYR 714 1.782 7.204 8.953 873 HD1 TYR 714 2HD TYR 714 1.881 8.829 10.957 874 HD2 TYR 714 1HD TYR 714 4.171 9.256 7.429 875 HE1 TYR 714 2HE TYR 714 2.162 11.214 11.455 876 HE2 TYR 714 1HE TYR 714 4.457 11.629 7.884 877 HH TYR 714 HH TYR 714 3.673 13.019 10.908 878 H ASN 715 H ASN 715 1.669 5.405 10.676 879 HA ASN 715 HA ASN 715 2.101 2.923 9.184 880 HB2 ASN 715 2HB ASN 715 0.811 3.280 11.895 881 HB3 ASN 715 1HB ASN 715 0.829 1.794 10.967 882 HD21 ASN 715 2HD ASN 715 4.073 0.896 11.851 883 H PHE 716 H PHE 716 0.568 2.222 8.050 884 HA PHE 716 HA PHE 716 -1.926 3.705 8.198 885 HB2 PHE 716 2HB PHE 716 -0.574 2.475 5.825 886 HB3 PHE 716 1HB PHE 716 -2.274 2.925 5.787 887 HD1 PHE 716 2HD PHE 716 1.171 4.255 6.141 888 HD2 PHE 716 1HD PHE 716 -2.941 5.177 5.555 889 HE1 PHE 716 2HE PHE 716 1.765 6.584 5.565 890 HE2 PHE 716 1HE PHE 716 -2.342 7.490 4.978 891 HZ PHE 716 HZ PHE 716 0.010 8.190 4.985 892 H ARG 717 H ARG 717 -3.742 2.711 8.297 893 HA ARG 717 HA ARG 717 -3.629 -0.025 9.296 894 HB2 ARG 717 2HB ARG 717 -4.663 1.981 10.519 895 HB3 ARG 717 1HB ARG 717 -5.918 1.946 9.304 896 HG2 ARG 717 2HG ARG 717 -6.740 0.873 11.245 897 HG3 ARG 717 1HG ARG 717 -6.441 -0.382 10.043 898 HD2 ARG 717 2HD ARG 717 -4.386 -1.013 11.132 899 HD3 ARG 717 1HD ARG 717 -4.512 0.349 12.250 900 HE ARG 717 HE ARG 717 -6.781 -1.386 12.334 901 HH12 ARG 717 1HH ARG 717 -3.814 -1.915 15.038 902 HH21 ARG 717 2HH ARG 717 -5.923 -2.891 15.367 903 H TRP 718 H TRP 718 -3.631 -1.219 7.428 904 HA TRP 718 HA TRP 718 -5.634 -0.648 5.349 905 HB2 TRP 718 2HB TRP 718 -3.198 -0.725 4.748 906 HB3 TRP 718 1HB TRP 718 -3.149 -2.387 5.287 907 HD1 TRP 718 HD TRP 718 -5.410 -3.776 3.735 908 HE1 TRP 718 1HE TRP 718 -5.415 -3.887 1.144 909 HE3 TRP 718 3HE TRP 718 -2.308 0.226 2.642 910 HZ2 TRP 718 2HZ TRP 718 -4.273 -2.536 -1.007 911 HZ3 TRP 718 3HZ TRP 718 -1.844 0.695 0.314 912 HH2 TRP 718 HH TRP 718 -2.802 -0.650 -1.475 913 H TYR 719 H TYR 719 -7.419 -1.799 5.674 914 HA TYR 719 HA TYR 719 -7.190 -4.479 6.827 915 HB2 TYR 719 2HB TYR 719 -9.629 -2.759 6.352 916 HB3 TYR 719 1HB TYR 719 -9.659 -4.378 7.024 917 HD1 TYR 719 2HD TYR 719 -8.094 -4.677 9.147 918 HD2 TYR 719 1HD TYR 719 -9.689 -0.988 7.810 919 HE1 TYR 719 2HE TYR 719 -7.862 -3.767 11.406 920 HE2 TYR 719 1HE TYR 719 -9.454 -0.059 10.065 921 HH TYR 719 HH TYR 719 -9.334 -0.910 12.371 922 H THR 720 H THR 720 -7.044 -6.073 5.434 923 HA THR 720 HA THR 720 -8.663 -5.897 3.042 924 HB THR 720 HB THR 720 -6.513 -5.233 2.225 925 HG1 THR 720 1HG THR 720 -6.883 -6.462 0.596 926 HG21 THR 720 2HG THR 720 -4.534 -6.634 2.436 927 H SER 721 H SER 721 -9.511 -7.756 2.304 928 HA SER 721 HA SER 721 -9.702 -9.904 4.148 929 HB2 SER 721 2HB SER 721 -11.524 -9.109 2.585 930 HB3 SER 721 1HB SER 721 -10.595 -9.787 1.252 931 HG SER 721 HG SER 721 -12.370 -10.942 2.571 932 H TYR 722 H TYR 722 -7.712 -9.074 1.450 933 HA TYR 722 HA TYR 722 -6.812 -11.648 0.706 934 HB2 TYR 722 2HB TYR 722 -5.747 -8.888 0.180 935 HB3 TYR 722 1HB TYR 722 -4.924 -10.329 -0.403 936 HD1 TYR 722 1HD TYR 722 -7.991 -8.285 -0.701 937 HD2 TYR 722 2HD TYR 722 -5.745 -11.519 -2.261 938 HE1 TYR 722 1HE TYR 722 -9.454 -8.349 -2.729 939 HE2 TYR 722 2HE TYR 722 -7.166 -11.574 -4.263 940 HH TYR 722 HH TYR 722 -9.347 -10.935 -4.919 941 H ALA 723 H ALA 723 -6.157 -9.825 3.463 942 HA ALA 723 HA ALA 723 -3.409 -10.611 3.739 943 HB1 ALA 723 1HB ALA 723 -5.286 -9.392 5.757 944 HB2 ALA 723 2HB ALA 723 -4.122 -8.541 4.761 945 HB3 ALA 723 3HB ALA 723 -3.560 -9.640 6.024 946 H CYS 724 H CYS 724 -6.187 -12.330 4.020 947 HA CYS 724 HA CYS 724 -4.956 -14.195 5.897 948 HB2 CYS 724 2HB CYS 724 -7.798 -14.057 4.823 949 HB3 CYS 724 1HB CYS 724 -7.190 -15.411 5.762 950 HA PRO 725 HA PRO 725 -3.835 -16.277 2.112 951 HB2 PRO 725 2HB PRO 725 -2.523 -18.386 3.180 952 HB3 PRO 725 1HB PRO 725 -1.847 -16.757 3.186 953 HG2 PRO 725 2HG PRO 725 -3.164 -18.267 5.393 954 HG3 PRO 725 1HG PRO 725 -1.780 -17.165 5.462 955 HD2 PRO 725 2HD PRO 725 -4.376 -16.492 6.145 956 HD3 PRO 725 1HD PRO 725 -3.119 -15.330 5.684 Start of MODEL 7 1 H1 GLU 578 1HT GLU 578 -1.354 -14.975 25.071 2 H2 GLU 578 2HT GLU 578 -0.992 -14.057 23.715 3 H3 GLU 578 3HT GLU 578 -0.407 -13.580 25.202 4 HA GLU 578 HA GLU 578 1.310 -14.569 23.867 5 HB2 GLU 578 2HB GLU 578 0.419 -16.375 26.115 6 HB3 GLU 578 1HB GLU 578 2.021 -16.370 25.393 7 HG2 GLU 578 2HG GLU 578 0.770 -14.025 26.803 8 HG3 GLU 578 1HG GLU 578 1.909 -15.168 27.520 9 H ALA 579 H ALA 579 0.959 -15.271 21.865 10 HA ALA 579 HA ALA 579 0.487 -18.074 21.482 11 HB1 ALA 579 1HB ALA 579 -1.238 -17.693 19.760 12 HB2 ALA 579 2HB ALA 579 -1.248 -15.976 20.162 13 HB3 ALA 579 3HB ALA 579 -1.790 -17.165 21.350 14 H GLU 580 H GLU 580 1.692 -18.764 19.799 15 HA GLU 580 HA GLU 580 3.358 -18.785 18.350 16 HB2 GLU 580 2HB GLU 580 1.789 -16.475 17.209 17 HB3 GLU 580 1HB GLU 580 3.247 -17.065 16.436 18 HG2 GLU 580 2HG GLU 580 1.234 -17.988 15.386 19 HG3 GLU 580 1HG GLU 580 2.221 -19.248 16.111 20 H ALA 581 H ALA 581 4.826 -18.452 19.969 21 HA ALA 581 HA ALA 581 5.931 -15.797 20.392 22 HB1 ALA 581 1HB ALA 581 5.717 -17.333 22.301 23 HB2 ALA 581 2HB ALA 581 7.406 -16.915 22.013 24 HB3 ALA 581 3HB ALA 581 6.785 -18.479 21.492 25 H GLU 582 H GLU 582 6.204 -18.144 18.190 26 HA GLU 582 HA GLU 582 8.964 -18.306 17.632 27 HB2 GLU 582 2HB GLU 582 6.655 -18.565 15.687 28 HB3 GLU 582 1HB GLU 582 8.289 -19.121 15.421 29 HG2 GLU 582 2HG GLU 582 6.897 -21.006 15.889 30 HG3 GLU 582 1HG GLU 582 7.967 -20.777 17.262 31 H PHE 583 H PHE 583 6.369 -16.206 16.612 32 HA PHE 583 HA PHE 583 8.031 -14.803 14.755 33 HB2 PHE 583 2HB PHE 583 5.160 -14.422 15.564 34 HB3 PHE 583 1HB PHE 583 5.985 -13.405 14.389 35 HD1 PHE 583 2HD PHE 583 4.665 -16.764 15.057 36 HD2 PHE 583 1HD PHE 583 6.491 -14.205 12.199 37 HE1 PHE 583 2HE PHE 583 4.121 -18.373 13.279 38 HE2 PHE 583 1HE PHE 583 5.959 -15.794 10.419 39 HZ PHE 583 HZ PHE 583 4.767 -17.893 10.953 40 H LEU 584 H LEU 584 9.291 -13.320 15.275 41 HA LEU 584 HA LEU 584 8.464 -11.172 16.931 42 HB2 LEU 584 2HB LEU 584 10.515 -11.228 18.391 43 HB3 LEU 584 1HB LEU 584 9.327 -12.457 18.721 44 HG LEU 584 HG LEU 584 10.821 -14.067 17.437 45 HD13 LEU 584 1HD LEU 584 13.172 -13.519 17.232 46 HD21 LEU 584 2HD LEU 584 10.651 -14.071 19.846 47 H SER 585 H SER 585 10.570 -12.535 14.579 48 HA SER 585 HA SER 585 11.798 -9.957 14.033 49 HB2 SER 585 2HB SER 585 12.199 -12.692 12.803 50 HB3 SER 585 1HB SER 585 13.133 -11.251 12.413 51 HG SER 585 HG SER 585 13.627 -12.989 14.219 52 H ARG 586 H ARG 586 11.853 -9.394 11.603 53 HA ARG 586 HA ARG 586 9.218 -9.923 10.487 54 HB2 ARG 586 2HB ARG 586 11.240 -7.811 9.716 55 HB3 ARG 586 1HB ARG 586 9.791 -8.146 8.807 56 HG2 ARG 586 2HG ARG 586 9.132 -6.314 9.965 57 HG3 ARG 586 1HG ARG 586 8.627 -7.588 11.067 58 HD2 ARG 586 2HD ARG 586 11.274 -6.146 11.295 59 HD3 ARG 586 1HD ARG 586 9.825 -5.550 12.073 60 HE ARG 586 HE ARG 586 10.030 -8.053 13.022 61 HH12 ARG 586 1HH ARG 586 13.214 -5.793 14.165 62 HH21 ARG 586 2HH ARG 586 12.503 -7.552 15.532 63 H THR 587 H THR 587 9.059 -10.906 8.539 64 HA THR 587 HA THR 587 11.551 -11.761 7.274 65 HB THR 587 HB THR 587 8.701 -12.733 6.785 66 HG1 THR 587 1HG THR 587 9.902 -14.672 7.987 67 HG21 THR 587 2HG THR 587 10.271 -13.118 4.917 68 H GLU 588 H GLU 588 12.010 -10.896 5.210 69 HA GLU 588 HA GLU 588 9.897 -9.253 4.121 70 HB2 GLU 588 2HB GLU 588 11.594 -7.501 3.439 71 HB3 GLU 588 1HB GLU 588 11.172 -7.587 5.134 72 HG2 GLU 588 2HG GLU 588 13.530 -7.163 4.890 73 HG3 GLU 588 1HG GLU 588 13.295 -8.763 5.573 74 H GLY 589 H GLY 589 9.899 -8.657 1.953 75 HA2 GLY 589 2HA GLY 589 11.557 -10.216 0.160 76 HA3 GLY 589 1HA GLY 589 9.839 -10.605 0.169 77 H ASP 590 H ASP 590 10.435 -9.855 -2.155 78 HA ASP 590 HA ASP 590 9.594 -7.045 -2.410 79 HB2 ASP 590 2HB ASP 590 12.162 -7.439 -2.769 80 HB3 ASP 590 1HB ASP 590 11.694 -8.315 -4.213 81 H ASN 591 H ASN 591 9.379 -7.031 -5.154 82 HA ASN 591 HA ASN 591 8.090 -7.660 -6.910 83 HB2 ASN 591 2HB ASN 591 8.792 -10.427 -5.907 84 HB3 ASN 591 1HB ASN 591 8.030 -10.110 -7.458 85 HD21 ASN 591 2HD ASN 591 10.964 -9.046 -9.040 86 H CYS 592 H CYS 592 6.824 -7.184 -4.334 87 HA CYS 592 HA CYS 592 4.701 -7.067 -3.502 88 HB2 CYS 592 2HB CYS 592 3.879 -8.665 -5.945 89 HB3 CYS 592 1HB CYS 592 2.802 -7.784 -4.871 90 H THR 593 H THR 593 6.583 -9.344 -2.955 91 HA THR 593 HA THR 593 4.590 -11.149 -1.909 92 HB THR 593 HB THR 593 6.042 -13.112 -2.558 93 HG1 THR 593 1HG THR 593 7.574 -11.123 -3.564 94 HG21 THR 593 2HG THR 593 3.967 -12.667 -3.772 95 H VAL 594 H VAL 594 5.213 -12.244 -0.105 96 HA VAL 594 HA VAL 594 7.902 -11.991 0.867 97 HB VAL 594 HB VAL 594 6.909 -10.016 1.880 98 HG13 VAL 594 1HG VAL 594 4.964 -10.102 3.361 99 HG21 VAL 594 2HG VAL 594 7.177 -10.516 4.271 100 H PHE 595 H PHE 595 8.549 -13.906 1.590 101 HA PHE 595 HA PHE 595 6.528 -15.750 2.567 102 HB2 PHE 595 2HB PHE 595 7.509 -17.581 1.226 103 HB3 PHE 595 1HB PHE 595 6.816 -16.323 0.221 104 HD1 PHE 595 1HD PHE 595 8.293 -14.841 -1.093 105 HD2 PHE 595 2HD PHE 595 9.851 -18.081 1.187 106 HE1 PHE 595 1HE PHE 595 10.403 -14.705 -2.348 107 HE2 PHE 595 2HE PHE 595 11.962 -17.949 -0.063 108 HZ PHE 595 HZ PHE 595 12.242 -16.260 -1.834 109 H ASP 596 H ASP 596 7.252 -17.276 4.001 110 HA ASP 596 HA ASP 596 10.014 -16.872 4.995 111 HB2 ASP 596 2HB ASP 596 8.195 -16.040 6.576 112 HB3 ASP 596 1HB ASP 596 7.592 -17.641 6.685 113 H SER 597 H SER 597 11.215 -18.624 4.852 114 HA SER 597 HA SER 597 10.187 -20.965 3.674 115 HB2 SER 597 2HB SER 597 12.901 -20.465 4.894 116 HB3 SER 597 1HB SER 597 12.483 -21.773 3.783 117 HG SER 597 HG SER 597 11.725 -19.967 2.399 118 H GLN 598 H GLN 598 11.217 -20.265 7.014 119 HA GLN 598 HA GLN 598 10.753 -23.006 7.636 120 HB2 GLN 598 2HB GLN 598 11.278 -22.401 10.032 121 HB3 GLN 598 1HB GLN 598 12.590 -22.347 8.867 122 HG2 GLN 598 2HG GLN 598 11.078 -19.935 9.852 123 HG3 GLN 598 1HG GLN 598 12.534 -20.535 10.634 124 HE21 GLN 598 2HE GLN 598 12.742 -18.278 7.310 125 H ALA 599 H ALA 599 8.975 -20.086 8.263 126 HA ALA 599 HA ALA 599 7.061 -21.590 9.811 127 HB1 ALA 599 1HB ALA 599 7.400 -19.211 10.253 128 HB2 ALA 599 2HB ALA 599 5.722 -19.542 9.807 129 HB3 ALA 599 3HB ALA 599 6.831 -18.834 8.631 130 H GLY 600 H GLY 600 7.597 -20.898 6.512 131 HA2 GLY 600 2HA GLY 600 6.817 -22.160 4.735 132 HA3 GLY 600 1HA GLY 600 5.770 -23.005 5.856 133 H PHE 601 H PHE 601 5.959 -19.605 4.898 134 HA PHE 601 HA PHE 601 3.327 -19.920 3.680 135 HB2 PHE 601 2HB PHE 601 2.522 -17.805 4.693 136 HB3 PHE 601 1HB PHE 601 2.814 -19.077 5.878 137 HD1 PHE 601 2HD PHE 601 4.324 -16.009 4.396 138 HD2 PHE 601 1HD PHE 601 4.164 -18.683 7.696 139 HE1 PHE 601 2HE PHE 601 5.739 -14.495 5.686 140 HE2 PHE 601 1HE PHE 601 5.581 -17.173 8.982 141 HZ PHE 601 HZ PHE 601 6.375 -15.083 7.986 142 H SER 602 H SER 602 2.774 -18.282 2.202 143 HA SER 602 HA SER 602 4.855 -16.410 1.464 144 HB2 SER 602 2HB SER 602 5.145 -18.356 -0.020 145 HB3 SER 602 1HB SER 602 3.436 -18.288 -0.442 146 HG SER 602 HG SER 602 5.370 -17.089 -1.681 147 H PHE 603 H PHE 603 3.916 -14.436 1.369 148 HA PHE 603 HA PHE 603 1.085 -14.383 0.720 149 HB2 PHE 603 2HB PHE 603 2.684 -12.514 2.457 150 HB3 PHE 603 1HB PHE 603 1.102 -12.074 1.816 151 HD1 PHE 603 2HD PHE 603 -0.896 -13.201 2.554 152 HD2 PHE 603 1HD PHE 603 2.902 -14.182 4.197 153 HE1 PHE 603 2HE PHE 603 -2.010 -14.378 4.400 154 HE2 PHE 603 1HE PHE 603 1.793 -15.367 6.047 155 HZ PHE 603 HZ PHE 603 -0.675 -15.463 6.140 156 H ASP 604 H ASP 604 0.331 -13.197 -0.796 157 HA ASP 604 HA ASP 604 2.213 -11.778 -2.565 158 HB2 ASP 604 2HB ASP 604 1.688 -13.894 -3.618 159 HB3 ASP 604 1HB ASP 604 -0.027 -13.682 -3.305 160 H LEU 605 H LEU 605 1.624 -9.763 -2.916 161 HA LEU 605 HA LEU 605 -1.201 -9.074 -2.462 162 HB2 LEU 605 2HB LEU 605 1.227 -7.383 -1.884 163 HB3 LEU 605 1HB LEU 605 -0.436 -6.862 -1.726 164 HG LEU 605 HG LEU 605 0.879 -9.034 -0.101 165 HD13 LEU 605 1HD LEU 605 0.061 -6.234 0.571 166 HD21 LEU 605 2HD LEU 605 -1.169 -8.973 1.244 167 H THR 606 H THR 606 0.492 -9.758 -4.925 168 HA THR 606 HA THR 606 0.931 -7.602 -6.494 169 HB THR 606 HB THR 606 -0.001 -10.362 -7.332 170 HG1 THR 606 1HG THR 606 1.817 -10.904 -6.393 171 HG21 THR 606 2HG THR 606 -0.006 -8.666 -9.107 172 HA PRO 607 HA PRO 607 -3.705 -8.070 -8.233 173 HB2 PRO 607 2HB PRO 607 -5.113 -8.961 -5.784 174 HB3 PRO 607 1HB PRO 607 -5.356 -9.461 -7.459 175 HG2 PRO 607 2HG PRO 607 -4.169 -11.096 -5.747 176 HG3 PRO 607 1HG PRO 607 -3.565 -10.948 -7.406 177 HD2 PRO 607 2HD PRO 607 -2.516 -9.711 -4.898 178 HD3 PRO 607 1HD PRO 607 -1.629 -10.524 -6.202 179 H LEU 608 H LEU 608 -2.612 -6.735 -5.181 180 HA LEU 608 HA LEU 608 -4.862 -4.994 -4.971 181 HB2 LEU 608 2HB LEU 608 -2.325 -5.335 -3.386 182 HB3 LEU 608 1HB LEU 608 -3.484 -4.059 -3.057 183 HG LEU 608 HG LEU 608 -5.136 -5.879 -2.489 184 HD13 LEU 608 1HD LEU 608 -2.722 -7.639 -2.708 185 HD21 LEU 608 2HD LEU 608 -4.125 -6.406 -0.338 186 H THR 609 H THR 609 -2.132 -5.145 -6.839 187 HA THR 609 HA THR 609 -1.189 -2.476 -6.631 188 HB THR 609 HB THR 609 -0.854 -4.422 -8.930 189 HG1 THR 609 1HG THR 609 0.017 -5.445 -7.258 190 HG21 THR 609 2HG THR 609 1.198 -3.136 -9.382 191 H LYS 610 H LYS 610 -2.192 -0.709 -7.373 192 HA LYS 610 HA LYS 610 -4.007 -0.987 -9.672 193 HB2 LYS 610 2HB LYS 610 -3.967 1.151 -7.548 194 HB3 LYS 610 1HB LYS 610 -4.938 1.140 -8.979 195 HG2 LYS 610 2HG LYS 610 -6.169 -0.832 -8.202 196 HG3 LYS 610 1HG LYS 610 -5.143 -0.861 -6.764 197 HD2 LYS 610 2HD LYS 610 -7.390 0.229 -6.413 198 HD3 LYS 610 1HD LYS 610 -5.993 1.206 -5.971 199 HE2 LYS 610 2HE LYS 610 -6.087 2.336 -8.010 200 HE3 LYS 610 1HE LYS 610 -7.491 1.390 -8.570 201 HZ1 LYS 610 3HZ LYS 610 -8.111 3.596 -7.746 202 HZ2 LYS 610 1HZ LYS 610 -7.342 3.314 -6.297 203 HZ3 LYS 610 2HZ LYS 610 -8.729 2.413 -6.673 204 H LYS 611 H LYS 611 -3.586 0.255 -11.401 205 HA LYS 611 HA LYS 611 -1.197 1.803 -11.424 206 HB2 LYS 611 2HB LYS 611 -1.966 0.652 -13.476 207 HB3 LYS 611 1HB LYS 611 -3.420 1.642 -13.488 208 HG2 LYS 611 2HG LYS 611 -1.743 2.421 -15.105 209 HG3 LYS 611 1HG LYS 611 -2.093 3.637 -13.871 210 HD2 LYS 611 2HD LYS 611 -0.089 2.944 -12.637 211 HD3 LYS 611 1HD LYS 611 0.275 1.764 -13.898 212 HE2 LYS 611 2HE LYS 611 0.492 3.594 -15.509 213 HE3 LYS 611 1HE LYS 611 0.110 4.751 -14.235 214 HZ1 LYS 611 3HZ LYS 611 2.104 4.058 -13.047 215 HZ2 LYS 611 1HZ LYS 611 2.499 4.574 -14.608 216 HZ3 LYS 611 2HZ LYS 611 2.459 2.935 -14.255 217 H ASP 612 H ASP 612 -4.499 2.274 -10.770 218 HA ASP 612 HA ASP 612 -4.524 5.160 -11.022 219 HB2 ASP 612 2HB ASP 612 -6.584 4.014 -11.486 220 HB3 ASP 612 1HB ASP 612 -6.532 3.164 -9.953 221 H ALA 613 H ALA 613 -3.631 2.892 -8.747 222 HA ALA 613 HA ALA 613 -2.862 2.885 -6.655 223 HB1 ALA 613 1HB ALA 613 -1.437 4.724 -7.451 224 HB2 ALA 613 2HB ALA 613 -1.823 4.877 -5.738 225 HB3 ALA 613 3HB ALA 613 -2.655 5.881 -6.922 226 H TYR 614 H TYR 614 -3.164 3.752 -4.448 227 HA TYR 614 HA TYR 614 -6.050 3.996 -3.907 228 HB2 TYR 614 2HB TYR 614 -3.744 3.002 -2.239 229 HB3 TYR 614 1HB TYR 614 -5.381 3.161 -1.619 230 HD1 TYR 614 2HD TYR 614 -3.235 1.329 -4.125 231 HD2 TYR 614 1HD TYR 614 -7.024 1.507 -2.110 232 HE1 TYR 614 2HE TYR 614 -3.802 -0.748 -5.018 233 HE2 TYR 614 1HE TYR 614 -7.565 -0.701 -3.039 234 HH TYR 614 HH TYR 614 -5.168 -2.579 -4.562 235 H LYS 615 H LYS 615 -6.834 5.825 -2.806 236 HA LYS 615 HA LYS 615 -4.746 7.499 -1.719 237 HB2 LYS 615 2HB LYS 615 -5.938 9.447 -2.507 238 HB3 LYS 615 1HB LYS 615 -5.459 8.403 -3.827 239 HG2 LYS 615 2HG LYS 615 -7.596 8.554 -4.562 240 HG3 LYS 615 1HG LYS 615 -7.930 7.501 -3.178 241 HD2 LYS 615 2HD LYS 615 -9.424 9.430 -3.226 242 HD3 LYS 615 1HD LYS 615 -8.407 9.277 -1.785 243 HE2 LYS 615 2HE LYS 615 -6.997 11.066 -2.425 244 HE3 LYS 615 1HE LYS 615 -7.560 11.018 -4.096 245 HZ1 LYS 615 3HZ LYS 615 -9.544 12.018 -3.484 246 HZ2 LYS 615 1HZ LYS 615 -8.377 12.933 -2.662 247 HZ3 LYS 615 2HZ LYS 615 -9.335 11.804 -1.852 248 H VAL 616 H VAL 616 -5.026 8.218 0.187 249 HA VAL 616 HA VAL 616 -7.564 7.695 1.623 250 HB VAL 616 HB VAL 616 -4.846 8.204 2.831 251 HG13 VAL 616 1HG VAL 616 -7.326 6.954 3.968 252 HG21 VAL 616 2HG VAL 616 -4.616 6.227 1.438 253 H GLU 617 H GLU 617 -8.537 9.567 2.382 254 HA GLU 617 HA GLU 617 -6.874 11.960 2.244 255 HB2 GLU 617 2HB GLU 617 -8.690 13.252 1.294 256 HB3 GLU 617 1HB GLU 617 -8.224 11.925 0.247 257 HG2 GLU 617 2HG GLU 617 -10.173 10.649 1.043 258 HG3 GLU 617 1HG GLU 617 -10.645 12.038 2.027 259 H THR 618 H THR 618 -7.097 13.440 3.726 260 HA THR 618 HA THR 618 -9.274 13.232 5.647 261 HB THR 618 HB THR 618 -7.636 13.873 7.430 262 HG1 THR 618 1HG THR 618 -5.716 13.310 5.411 263 HG21 THR 618 2HG THR 618 -6.812 11.307 6.044 264 H ASP 619 H ASP 619 -9.065 15.438 6.978 265 HA ASP 619 HA ASP 619 -9.276 17.591 5.094 266 HB2 ASP 619 2HB ASP 619 -9.068 17.706 8.119 267 HB3 ASP 619 1HB ASP 619 -9.526 19.039 7.068 268 H LYS 620 H LYS 620 -6.823 16.123 6.791 269 HA LYS 620 HA LYS 620 -5.053 18.380 7.032 270 HB2 LYS 620 2HB LYS 620 -4.436 15.452 7.406 271 HB3 LYS 620 1HB LYS 620 -3.575 16.830 8.076 272 HG2 LYS 620 2HG LYS 620 -5.507 17.365 9.479 273 HG3 LYS 620 1HG LYS 620 -6.383 16.001 8.798 274 HD2 LYS 620 2HD LYS 620 -5.513 15.313 10.920 275 HD3 LYS 620 1HD LYS 620 -4.573 14.510 9.670 276 HE2 LYS 620 2HE LYS 620 -3.138 15.364 11.455 277 HE3 LYS 620 1HE LYS 620 -2.791 16.163 9.923 278 HZ1 LYS 620 3HZ LYS 620 -2.907 17.707 11.800 279 HZ2 LYS 620 1HZ LYS 620 -4.497 17.283 12.084 280 HZ3 LYS 620 2HZ LYS 620 -4.082 18.077 10.665 281 H TYR 621 H TYR 621 -4.799 15.173 5.464 282 HA TYR 621 HA TYR 621 -3.443 16.371 3.139 283 HB2 TYR 621 2HB TYR 621 -2.322 13.981 4.618 284 HB3 TYR 621 1HB TYR 621 -1.607 14.836 3.263 285 HD1 TYR 621 2HD TYR 621 -0.691 17.142 3.669 286 HD2 TYR 621 1HD TYR 621 -1.916 14.603 6.833 287 HE1 TYR 621 2HE TYR 621 0.592 18.506 5.259 288 HE2 TYR 621 1HE TYR 621 -0.637 15.951 8.426 289 HH TYR 621 HH TYR 621 1.319 17.506 8.352 290 H GLU 622 H GLU 622 -3.545 14.933 1.317 291 HA GLU 622 HA GLU 622 -4.905 12.436 1.879 292 HB2 GLU 622 2HB GLU 622 -5.692 12.342 -0.473 293 HB3 GLU 622 1HB GLU 622 -6.420 13.635 0.458 294 HG2 GLU 622 2HG GLU 622 -5.141 15.262 -0.702 295 HG3 GLU 622 1HG GLU 622 -4.133 14.011 -1.442 296 H PHE 623 H PHE 623 -4.057 10.661 1.276 297 HA PHE 623 HA PHE 623 -1.251 10.861 0.396 298 HB2 PHE 623 2HB PHE 623 -2.631 8.751 2.058 299 HB3 PHE 623 1HB PHE 623 -0.923 8.789 1.642 300 HD1 PHE 623 2HD PHE 623 -3.579 10.452 3.636 301 HD2 PHE 623 1HD PHE 623 0.601 10.123 2.846 302 HE1 PHE 623 2HE PHE 623 -3.101 11.737 5.644 303 HE2 PHE 623 1HE PHE 623 1.072 11.413 4.879 304 HZ PHE 623 HZ PHE 623 -0.778 12.224 6.278 305 H HIS 624 H HIS 624 -0.736 9.873 -1.457 306 HA HIS 624 HA HIS 624 -2.674 7.949 -2.511 307 HB2 HIS 624 2HB HIS 624 -0.592 9.619 -3.965 308 HB3 HIS 624 1HB HIS 624 -1.623 8.414 -4.730 309 HD1 HIS 624 1HD HIS 624 -3.859 9.238 -5.591 310 HD2 HIS 624 2HD HIS 624 -2.114 11.939 -2.943 311 HE1 HIS 624 1HE HIS 624 -5.280 11.280 -5.686 312 HE2 HIS 624 2HE HIS 624 -4.391 12.787 -3.919 313 H ILE 625 H ILE 625 -2.072 5.925 -2.425 314 HA ILE 625 HA ILE 625 0.775 5.240 -2.025 315 HB ILE 625 HB ILE 625 -1.562 3.941 -0.592 316 HG12 ILE 625 1HG ILE 625 0.291 6.073 0.512 317 HG23 ILE 625 2HG ILE 625 0.464 2.579 -0.780 318 HD11 ILE 625 1HD ILE 625 -2.058 4.708 1.790 319 H ASN 626 H ASN 626 1.184 3.001 -2.663 320 HA ASN 626 HA ASN 626 -0.929 1.580 -3.984 321 HB2 ASN 626 2HB ASN 626 0.437 3.056 -5.697 322 HB3 ASN 626 1HB ASN 626 1.737 1.906 -5.370 323 HD21 ASN 626 2HD ASN 626 0.338 0.534 -8.275 324 H VAL 627 H VAL 627 -0.271 -0.697 -4.133 325 HA VAL 627 HA VAL 627 1.385 -1.300 -1.835 326 HB VAL 627 HB VAL 627 -0.738 -2.612 -2.106 327 HG13 VAL 627 1HG VAL 627 -1.006 -2.366 -4.317 328 HG21 VAL 627 2HG VAL 627 0.098 -4.863 -1.941 329 H CYS 628 H CYS 628 1.845 -1.182 -5.143 330 HA CYS 628 HA CYS 628 4.530 -2.255 -4.849 331 HB2 CYS 628 2HB CYS 628 2.579 -3.251 -6.924 332 HB3 CYS 628 1HB CYS 628 4.300 -3.591 -6.900 333 H GLY 629 H GLY 629 5.950 -1.302 -6.166 334 HA2 GLY 629 2HA GLY 629 6.830 0.040 -7.789 335 HA3 GLY 629 1HA GLY 629 5.290 -0.099 -8.630 336 HA PRO 630 HA PRO 630 5.192 4.142 -7.128 337 HB2 PRO 630 2HB PRO 630 4.787 5.323 -9.510 338 HB3 PRO 630 1HB PRO 630 6.386 4.866 -8.945 339 HG2 PRO 630 2HG PRO 630 4.791 3.696 -11.093 340 HG3 PRO 630 1HG PRO 630 6.511 3.485 -10.739 341 HD2 PRO 630 2HD PRO 630 4.281 1.721 -10.080 342 HD3 PRO 630 1HD PRO 630 6.023 1.426 -9.926 343 H VAL 631 H VAL 631 3.580 5.827 -7.488 344 HA VAL 631 HA VAL 631 0.845 4.755 -7.782 345 HB VAL 631 HB VAL 631 0.136 6.799 -6.543 346 HG13 VAL 631 1HG VAL 631 2.190 5.091 -5.212 347 HG21 VAL 631 2HG VAL 631 3.087 7.303 -6.196 348 H SER 632 H SER 632 -0.674 6.028 -8.902 349 HA SER 632 HA SER 632 0.534 7.958 -10.778 350 HB2 SER 632 2HB SER 632 -0.906 6.176 -11.760 351 HB3 SER 632 1HB SER 632 -2.250 6.748 -10.781 352 HG SER 632 HG SER 632 -0.902 8.109 -12.862 353 H VAL 633 H VAL 633 0.275 10.089 -10.414 354 HA VAL 633 HA VAL 633 -1.997 11.176 -8.972 355 HB VAL 633 HB VAL 633 0.822 11.777 -8.069 356 HG13 VAL 633 1HG VAL 633 -0.675 13.604 -7.684 357 HG21 VAL 633 2HG VAL 633 0.337 9.515 -7.367 358 H GLY 634 H GLY 634 -2.162 13.469 -9.501 359 HA2 GLY 634 2HA GLY 634 -0.691 14.218 -11.858 360 HA3 GLY 634 1HA GLY 634 -1.964 15.147 -11.075 361 H ALA 635 H ALA 635 -0.919 15.289 -8.528 362 HA ALA 635 HA ALA 635 1.027 17.389 -8.936 363 HB1 ALA 635 1HB ALA 635 0.605 17.976 -6.619 364 HB2 ALA 635 2HB ALA 635 -0.326 16.495 -6.399 365 HB3 ALA 635 3HB ALA 635 -0.913 17.751 -7.488 366 H CYS 636 H CYS 636 1.578 14.254 -8.793 367 HA CYS 636 HA CYS 636 4.072 14.604 -7.321 368 HB2 CYS 636 2HB CYS 636 2.258 12.184 -6.955 369 HB3 CYS 636 1HB CYS 636 3.842 12.402 -6.255 370 HA PRO 637 HA PRO 637 5.715 12.586 -10.875 371 HB2 PRO 637 2HB PRO 637 7.909 11.334 -9.849 372 HB3 PRO 637 1HB PRO 637 7.837 13.082 -10.095 373 HG2 PRO 637 2HG PRO 637 7.451 11.504 -7.592 374 HG3 PRO 637 1HG PRO 637 8.317 13.030 -7.832 375 HD2 PRO 637 2HD PRO 637 5.828 12.896 -6.787 376 HD3 PRO 637 1HD PRO 637 6.400 14.277 -7.737 377 HA PRO 638 HA PRO 638 4.098 8.413 -10.757 378 HB2 PRO 638 2HB PRO 638 4.865 7.592 -13.200 379 HB3 PRO 638 1HB PRO 638 3.623 8.830 -12.988 380 HG2 PRO 638 2HG PRO 638 6.530 9.165 -13.624 381 HG3 PRO 638 1HG PRO 638 5.127 9.962 -14.363 382 HD2 PRO 638 2HD PRO 638 6.669 11.125 -12.446 383 HD3 PRO 638 1HD PRO 638 4.939 11.482 -12.650 384 H ASP 639 H ASP 639 6.958 9.022 -9.857 385 HA ASP 639 HA ASP 639 8.046 6.304 -10.184 386 HB2 ASP 639 2HB ASP 639 9.537 8.915 -9.918 387 HB3 ASP 639 1HB ASP 639 10.310 7.365 -9.628 388 H SER 640 H SER 640 6.519 8.235 -8.083 389 HA SER 640 HA SER 640 7.998 7.322 -5.743 390 HB2 SER 640 2HB SER 640 5.635 9.199 -5.967 391 HB3 SER 640 1HB SER 640 6.669 8.961 -4.554 392 HG SER 640 HG SER 640 8.361 9.519 -6.293 393 H GLY 641 H GLY 641 6.914 5.933 -4.220 394 HA2 GLY 641 2HA GLY 641 4.489 4.685 -5.284 395 HA3 GLY 641 1HA GLY 641 5.551 3.936 -4.115 396 H ALA 642 H ALA 642 5.440 6.845 -2.897 397 HA ALA 642 HA ALA 642 2.686 6.904 -1.936 398 HB1 ALA 642 1HB ALA 642 3.370 7.049 0.419 399 HB2 ALA 642 2HB ALA 642 5.051 6.803 -0.054 400 HB3 ALA 642 3HB ALA 642 3.871 5.515 -0.289 401 H CYS 643 H CYS 643 1.983 8.949 -2.030 402 HA CYS 643 HA CYS 643 3.797 11.152 -1.385 403 HB2 CYS 643 2HB CYS 643 3.986 10.790 -3.852 404 HB3 CYS 643 1HB CYS 643 2.267 11.074 -3.998 405 H GLN 644 H GLN 644 2.787 12.896 -0.446 406 HA GLN 644 HA GLN 644 -0.124 12.622 -0.158 407 HB2 GLN 644 2HB GLN 644 0.023 13.739 2.012 408 HB3 GLN 644 1HB GLN 644 1.033 12.298 2.001 409 HG2 GLN 644 2HG GLN 644 3.015 13.836 1.679 410 HG3 GLN 644 1HG GLN 644 1.868 15.159 1.763 411 HE21 GLN 644 2HE GLN 644 3.408 14.334 5.145 412 H VAL 645 H VAL 645 -1.398 14.270 -0.523 413 HA VAL 645 HA VAL 645 -0.176 16.800 -1.358 414 HB VAL 645 HB VAL 645 -2.954 15.724 -1.999 415 HG13 VAL 645 1HG VAL 645 -2.878 18.157 -1.940 416 HG21 VAL 645 2HG VAL 645 -2.141 15.423 -4.306 417 H SER 646 H SER 646 -0.413 18.350 0.111 418 HA SER 646 HA SER 646 -1.993 17.829 2.438 419 HB2 SER 646 2HB SER 646 0.231 18.900 2.599 420 HB3 SER 646 1HB SER 646 -0.380 20.270 1.680 421 HG SER 646 HG SER 646 -0.605 19.727 4.308 422 H ARG 647 H ARG 647 -3.785 18.768 3.046 423 HA ARG 647 HA ARG 647 -5.104 20.440 1.060 424 HB2 ARG 647 2HB ARG 647 -6.264 18.569 3.145 425 HB3 ARG 647 1HB ARG 647 -7.226 19.573 2.057 426 HG2 ARG 647 2HG ARG 647 -6.358 18.412 0.124 427 HG3 ARG 647 1HG ARG 647 -5.237 17.512 1.131 428 HD2 ARG 647 2HD ARG 647 -7.100 16.134 0.459 429 HD3 ARG 647 1HD ARG 647 -7.107 16.374 2.197 430 HE ARG 647 HE ARG 647 -8.818 18.229 1.528 431 HH12 ARG 647 1HH ARG 647 -10.173 14.833 -0.238 432 HH21 ARG 647 2HH ARG 647 -11.681 16.467 0.457 433 H SER 648 H SER 648 -4.005 20.184 4.343 434 HA SER 648 HA SER 648 -5.371 22.564 5.223 435 HB2 SER 648 2HB SER 648 -3.029 21.106 6.469 436 HB3 SER 648 1HB SER 648 -4.084 22.278 7.255 437 HG SER 648 HG SER 648 -5.706 20.483 6.332 438 H ASP 649 H ASP 649 -2.062 21.677 4.129 439 HA ASP 649 HA ASP 649 -1.233 24.488 4.415 440 HB2 ASP 649 2HB ASP 649 0.033 22.661 5.629 441 HB3 ASP 649 1HB ASP 649 0.525 22.049 4.060 442 H ARG 650 H ARG 650 -2.243 22.270 2.182 443 HA ARG 650 HA ARG 650 -2.271 21.957 0.040 444 HB2 ARG 650 2HB ARG 650 -3.213 24.169 0.475 445 HB3 ARG 650 1HB ARG 650 -1.685 24.875 0.008 446 HG2 ARG 650 2HG ARG 650 -1.927 24.108 -2.217 447 HG3 ARG 650 1HG ARG 650 -3.366 23.162 -1.786 448 HD2 ARG 650 2HD ARG 650 -4.172 25.212 -2.694 449 HD3 ARG 650 1HD ARG 650 -4.305 25.108 -0.910 450 HE ARG 650 HE ARG 650 -1.931 26.420 -1.743 451 HH12 ARG 650 1HH ARG 650 -5.178 28.581 -0.638 452 HH21 ARG 650 2HH ARG 650 -3.078 29.604 -0.747 453 H LYS 651 H LYS 651 0.561 21.851 1.271 454 HA LYS 651 HA LYS 651 2.084 22.111 -1.217 455 HB2 LYS 651 2HB LYS 651 2.909 21.207 1.543 456 HB3 LYS 651 1HB LYS 651 3.963 21.104 0.153 457 HG2 LYS 651 2HG LYS 651 3.874 23.540 -0.065 458 HG3 LYS 651 1HG LYS 651 2.835 23.599 1.371 459 HD2 LYS 651 2HD LYS 651 4.555 22.567 2.707 460 HD3 LYS 651 1HD LYS 651 5.597 22.383 1.299 461 HE2 LYS 651 2HE LYS 651 5.738 24.818 1.117 462 HE3 LYS 651 1HE LYS 651 4.657 24.967 2.504 463 HZ1 LYS 651 3HZ LYS 651 6.977 25.221 3.176 464 HZ2 LYS 651 1HZ LYS 651 7.341 23.678 2.598 465 HZ3 LYS 651 2HZ LYS 651 6.281 23.876 3.879 466 H SER 652 H SER 652 3.644 20.033 -1.421 467 HA SER 652 HA SER 652 2.127 17.614 -0.975 468 HB2 SER 652 2HB SER 652 2.593 16.932 -3.351 469 HB3 SER 652 1HB SER 652 1.450 18.266 -3.203 470 HG SER 652 HG SER 652 3.846 18.178 -4.424 471 H TRP 653 H TRP 653 3.474 15.828 -0.700 472 HA TRP 653 HA TRP 653 6.417 16.147 -0.979 473 HB2 TRP 653 2HB TRP 653 5.097 15.307 1.598 474 HB3 TRP 653 1HB TRP 653 6.815 15.441 1.275 475 HD1 TRP 653 HD TRP 653 7.763 18.053 1.102 476 HE1 TRP 653 1HE TRP 653 6.949 20.142 2.387 477 HE3 TRP 653 3HE TRP 653 3.175 16.392 2.465 478 HZ2 TRP 653 2HZ TRP 653 4.624 20.951 3.798 479 HZ3 TRP 653 3HZ TRP 653 1.711 17.824 3.753 480 HH2 TRP 653 HH TRP 653 2.412 20.088 4.424 481 H ASN 654 H ASN 654 7.517 14.392 -0.865 482 HA ASN 654 HA ASN 654 6.108 12.087 -1.902 483 HB2 ASN 654 2HB ASN 654 8.041 13.269 -2.984 484 HB3 ASN 654 1HB ASN 654 9.021 12.766 -1.624 485 HD21 ASN 654 2HD ASN 654 9.224 10.639 -4.667 486 H LEU 655 H LEU 655 6.007 10.210 -0.654 487 HA LEU 655 HA LEU 655 7.348 10.339 1.943 488 HB2 LEU 655 2HB LEU 655 4.867 8.808 1.224 489 HB3 LEU 655 1HB LEU 655 5.711 8.797 2.758 490 HG LEU 655 HG LEU 655 5.140 11.261 2.894 491 HD13 LEU 655 1HD LEU 655 3.316 10.556 0.734 492 HD21 LEU 655 2HD LEU 655 2.961 9.215 2.982 493 H GLY 656 H GLY 656 7.830 9.056 -0.940 494 HA2 GLY 656 2HA GLY 656 9.707 7.358 -0.242 495 HA3 GLY 656 1HA GLY 656 8.271 6.374 -0.050 496 H ARG 657 H ARG 657 10.639 6.662 -1.880 497 HA ARG 657 HA ARG 657 9.645 7.056 -4.498 498 HB2 ARG 657 2HB ARG 657 12.011 7.355 -3.824 499 HB3 ARG 657 1HB ARG 657 12.114 5.632 -3.503 500 HG2 ARG 657 2HG ARG 657 11.714 5.139 -5.789 501 HG3 ARG 657 1HG ARG 657 11.532 6.865 -6.170 502 HD2 ARG 657 2HD ARG 657 13.967 5.422 -5.184 503 HD3 ARG 657 1HD ARG 657 13.707 6.099 -6.796 504 HE ARG 657 HE ARG 657 13.981 7.717 -4.330 505 HH12 ARG 657 1HH ARG 657 15.365 8.805 -7.959 506 HH21 ARG 657 2HH ARG 657 15.852 10.126 -5.919 507 H SER 658 H SER 658 9.242 5.338 -6.022 508 HA SER 658 HA SER 658 7.670 3.269 -5.096 509 HB2 SER 658 2HB SER 658 7.852 2.389 -7.385 510 HB3 SER 658 1HB SER 658 7.385 4.073 -7.241 511 HG SER 658 HG SER 658 9.250 4.718 -8.070 512 H ASN 659 H ASN 659 7.894 1.222 -4.645 513 HA ASN 659 HA ASN 659 10.007 -0.482 -5.310 514 HB2 ASN 659 2HB ASN 659 11.094 -0.811 -3.095 515 HB3 ASN 659 1HB ASN 659 11.303 0.847 -3.630 516 HD21 ASN 659 2HD ASN 659 9.432 -0.045 -0.194 517 H ALA 660 H ALA 660 9.655 -2.665 -4.383 518 HA ALA 660 HA ALA 660 6.829 -2.955 -3.530 519 HB1 ALA 660 1HB ALA 660 8.461 -4.873 -5.210 520 HB2 ALA 660 2HB ALA 660 7.245 -3.749 -5.824 521 HB3 ALA 660 3HB ALA 660 6.767 -5.065 -4.755 522 H LYS 661 H LYS 661 8.919 -2.641 -1.751 523 HA LYS 661 HA LYS 661 9.780 -5.171 -0.688 524 HB2 LYS 661 2HB LYS 661 10.024 -2.381 0.391 525 HB3 LYS 661 1HB LYS 661 10.533 -3.787 1.301 526 HG2 LYS 661 2HG LYS 661 11.602 -2.954 -1.386 527 HG3 LYS 661 1HG LYS 661 12.399 -2.700 0.170 528 HD2 LYS 661 2HD LYS 661 12.325 -5.190 0.509 529 HD3 LYS 661 1HD LYS 661 11.744 -5.325 -1.148 530 HE2 LYS 661 2HE LYS 661 14.349 -4.109 -0.290 531 HE3 LYS 661 1HE LYS 661 14.140 -5.710 -1.007 532 HZ1 LYS 661 3HZ LYS 661 13.600 -3.092 -2.290 533 HZ2 LYS 661 1HZ LYS 661 13.239 -4.592 -2.981 534 HZ3 LYS 661 2HZ LYS 661 14.850 -4.171 -2.658 535 H LEU 662 H LEU 662 8.490 -6.487 0.244 536 HA LEU 662 HA LEU 662 6.458 -5.455 2.070 537 HB2 LEU 662 2HB LEU 662 6.764 -8.173 0.774 538 HB3 LEU 662 1HB LEU 662 5.580 -7.836 2.034 539 HG LEU 662 HG LEU 662 5.696 -6.818 -0.793 540 HD13 LEU 662 1HD LEU 662 3.565 -7.974 -0.974 541 HD21 LEU 662 2HD LEU 662 3.622 -5.647 -0.319 542 H SER 663 H SER 663 6.402 -6.208 4.146 543 HA SER 663 HA SER 663 8.547 -7.955 5.082 544 HB2 SER 663 2HB SER 663 7.757 -5.322 6.374 545 HB3 SER 663 1HB SER 663 8.991 -6.441 6.954 546 HG SER 663 HG SER 663 9.532 -5.954 4.452 547 H TYR 664 H TYR 664 7.877 -8.938 7.191 548 HA TYR 664 HA TYR 664 4.961 -8.762 7.520 549 HB2 TYR 664 2HB TYR 664 5.609 -10.618 6.028 550 HB3 TYR 664 1HB TYR 664 6.621 -11.209 7.341 551 HD1 TYR 664 2HD TYR 664 2.866 -10.305 6.929 552 HD2 TYR 664 1HD TYR 664 5.811 -13.085 8.379 553 HE1 TYR 664 2HE TYR 664 1.187 -11.679 7.554 554 HE2 TYR 664 1HE TYR 664 4.040 -14.548 9.065 555 HH TYR 664 HH TYR 664 1.699 -14.421 9.655 556 H TYR 665 H TYR 665 4.425 -8.388 9.570 557 HA TYR 665 HA TYR 665 6.141 -9.319 11.760 558 HB2 TYR 665 2HB TYR 665 3.583 -7.680 11.705 559 HB3 TYR 665 1HB TYR 665 4.275 -8.286 13.188 560 HD1 TYR 665 1HD TYR 665 6.992 -7.621 13.261 561 HD2 TYR 665 2HD TYR 665 3.872 -5.464 11.365 562 HE1 TYR 665 1HE TYR 665 8.281 -5.540 13.510 563 HE2 TYR 665 2HE TYR 665 5.155 -3.385 11.587 564 HH TYR 665 HH TYR 665 6.899 -2.496 13.030 565 H ASP 666 H ASP 666 4.023 -10.006 13.582 566 HA ASP 666 HA ASP 666 3.409 -12.550 12.470 567 HB2 ASP 666 2HB ASP 666 3.826 -12.379 14.882 568 HB3 ASP 666 1HB ASP 666 2.398 -11.355 15.059 569 H GLY 667 H GLY 667 2.239 -12.277 10.725 570 HA2 GLY 667 2HA GLY 667 0.177 -12.622 9.682 571 HA3 GLY 667 1HA GLY 667 -0.628 -12.061 11.115 572 H MET 668 H MET 668 1.339 -9.701 10.840 573 HA MET 668 HA MET 668 -0.447 -8.236 9.056 574 HB2 MET 668 2HB MET 668 1.458 -7.203 11.159 575 HB3 MET 668 1HB MET 668 0.465 -6.185 10.126 576 HG2 MET 668 2HG MET 668 -1.555 -7.187 11.110 577 HG3 MET 668 1HG MET 668 -0.537 -8.172 12.154 578 HE1 MET 668 3HE MET 668 1.171 -5.406 14.399 579 HE2 MET 668 1HE MET 668 1.796 -6.019 12.873 580 HE3 MET 668 2HE MET 668 1.076 -7.131 14.038 581 H ILE 669 H ILE 669 0.265 -8.158 7.089 582 HA ILE 669 HA ILE 669 3.076 -8.224 6.473 583 HB ILE 669 HB ILE 669 0.677 -7.717 4.765 584 HG12 ILE 669 1HG ILE 669 1.266 -9.660 3.560 585 HG23 ILE 669 2HG ILE 669 3.557 -7.892 3.887 586 HD11 ILE 669 1HD ILE 669 0.386 -11.367 5.078 587 H GLN 670 H GLN 670 4.298 -6.526 5.908 588 HA GLN 670 HA GLN 670 3.098 -3.881 6.240 589 HB2 GLN 670 2HB GLN 670 5.946 -4.676 6.765 590 HB3 GLN 670 1HB GLN 670 5.175 -3.148 7.158 591 HG2 GLN 670 2HG GLN 670 4.545 -5.815 8.355 592 HG3 GLN 670 1HG GLN 670 5.506 -4.531 9.108 593 HE21 GLN 670 2HE GLN 670 2.294 -2.556 9.139 594 H LEU 671 H LEU 671 3.907 -2.373 4.960 595 HA LEU 671 HA LEU 671 5.561 -3.111 2.620 596 HB2 LEU 671 2HB LEU 671 3.314 -3.073 1.846 597 HB3 LEU 671 1HB LEU 671 2.966 -1.564 2.679 598 HG LEU 671 HG LEU 671 4.511 -0.452 1.022 599 HD13 LEU 671 1HD LEU 671 4.353 -3.127 -0.348 600 HD21 LEU 671 2HD LEU 671 2.893 -0.491 -0.775 601 H THR 672 H THR 672 7.136 -1.644 2.318 602 HA THR 672 HA THR 672 6.894 0.786 3.940 603 HB THR 672 HB THR 672 9.400 -0.899 3.740 604 HG1 THR 672 1HG THR 672 7.183 -0.968 5.338 605 HG21 THR 672 2HG THR 672 9.788 1.525 4.107 606 H TYR 673 H TYR 673 6.948 2.462 2.688 607 HA TYR 673 HA TYR 673 8.681 2.469 0.338 608 HB2 TYR 673 2HB TYR 673 6.385 4.269 1.114 609 HB3 TYR 673 1HB TYR 673 7.514 4.656 -0.178 610 HD1 TYR 673 1HD TYR 673 7.848 2.931 -1.973 611 HD2 TYR 673 2HD TYR 673 4.504 2.994 0.623 612 HE1 TYR 673 1HE TYR 673 6.612 1.627 -3.579 613 HE2 TYR 673 2HE TYR 673 3.232 1.659 -0.989 614 HH TYR 673 HH TYR 673 4.615 -0.031 -3.452 615 H ARG 674 H ARG 674 10.452 3.604 0.327 616 HA ARG 674 HA ARG 674 10.842 5.614 2.421 617 HB2 ARG 674 2HB ARG 674 12.812 3.510 1.559 618 HB3 ARG 674 1HB ARG 674 13.215 4.825 2.631 619 HG2 ARG 674 2HG ARG 674 11.428 3.938 4.183 620 HG3 ARG 674 1HG ARG 674 11.352 2.528 3.120 621 HD2 ARG 674 2HD ARG 674 12.821 2.085 4.990 622 HD3 ARG 674 1HD ARG 674 13.750 2.147 3.493 623 HE ARG 674 HE ARG 674 13.590 4.655 4.873 624 HH12 ARG 674 1HH ARG 674 16.859 2.312 5.254 625 HH21 ARG 674 2HH ARG 674 16.885 4.536 6.058 626 H ASP 675 H ASP 675 13.003 6.788 1.886 627 HA ASP 675 HA ASP 675 14.294 8.104 0.577 628 HB2 ASP 675 2HB ASP 675 14.250 6.016 -1.186 629 HB3 ASP 675 1HB ASP 675 13.112 7.055 -1.973 630 H GLY 676 H GLY 676 11.469 8.579 1.380 631 HA2 GLY 676 2HA GLY 676 10.281 10.284 -0.569 632 HA3 GLY 676 1HA GLY 676 9.878 10.190 1.140 633 H THR 677 H THR 677 9.637 12.576 0.786 634 HA THR 677 HA THR 677 11.954 14.177 0.354 635 HB THR 677 HB THR 677 9.359 15.023 1.673 636 HG1 THR 677 1HG THR 677 9.880 15.041 -1.136 637 HG21 THR 677 2HG THR 677 11.164 16.695 1.655 638 HA PRO 678 HA PRO 678 13.366 13.640 4.671 639 HB2 PRO 678 2HB PRO 678 15.340 15.689 3.901 640 HB3 PRO 678 1HB PRO 678 15.597 14.043 4.498 641 HG2 PRO 678 2HG PRO 678 16.104 14.634 1.961 642 HG3 PRO 678 1HG PRO 678 15.331 13.099 2.426 643 HD2 PRO 678 2HD PRO 678 14.038 15.592 1.350 644 HD3 PRO 678 1HD PRO 678 13.821 13.892 0.854 645 H TYR 679 H TYR 679 12.794 14.665 6.476 646 HA TYR 679 HA TYR 679 12.796 17.502 6.582 647 HB2 TYR 679 2HB TYR 679 10.474 17.769 7.323 648 HB3 TYR 679 1HB TYR 679 10.590 17.255 5.651 649 HD1 TYR 679 1HD TYR 679 10.774 14.449 5.786 650 HD2 TYR 679 2HD TYR 679 8.526 17.003 8.267 651 HE1 TYR 679 1HE TYR 679 9.102 12.609 6.183 652 HE2 TYR 679 2HE TYR 679 6.876 15.169 8.670 653 HH TYR 679 HH TYR 679 7.489 11.961 7.765 654 H ASN 680 H ASN 680 12.449 18.400 8.662 655 HA ASN 680 HA ASN 680 13.190 18.640 10.736 656 HB2 ASN 680 2HB ASN 680 10.761 18.041 10.885 657 HB3 ASN 680 1HB ASN 680 11.248 16.415 11.331 658 HD21 ASN 680 2HD ASN 680 10.514 18.680 14.270 659 H ASN 681 H ASN 681 15.290 17.907 10.199 660 HA ASN 681 HA ASN 681 16.633 16.642 12.153 661 HB2 ASN 681 2HB ASN 681 15.540 14.478 11.536 662 HB3 ASN 681 1HB ASN 681 16.128 14.662 9.890 663 HD21 ASN 681 2HD ASN 681 18.639 12.481 11.022 664 H GLU 682 H GLU 682 18.680 17.337 11.850 665 HA GLU 682 HA GLU 682 19.308 18.673 9.435 666 HB2 GLU 682 2HB GLU 682 21.110 17.962 11.734 667 HB3 GLU 682 1HB GLU 682 21.576 18.995 10.392 668 HG2 GLU 682 2HG GLU 682 19.644 20.471 11.016 669 HG3 GLU 682 1HG GLU 682 19.487 19.507 12.478 670 H LYS 683 H LYS 683 20.019 15.501 10.599 671 HA LYS 683 HA LYS 683 21.954 14.830 8.604 672 HB2 LYS 683 2HB LYS 683 21.609 13.579 10.722 673 HB3 LYS 683 1HB LYS 683 20.049 13.033 10.123 674 HG2 LYS 683 2HG LYS 683 21.249 11.906 8.253 675 HG3 LYS 683 1HG LYS 683 22.771 12.347 9.030 676 HD2 LYS 683 2HD LYS 683 20.592 10.621 10.209 677 HD3 LYS 683 1HD LYS 683 22.140 10.067 9.580 678 HE2 LYS 683 2HE LYS 683 23.308 11.344 11.334 679 HE3 LYS 683 1HE LYS 683 21.754 11.918 11.929 680 HZ1 LYS 683 3HZ LYS 683 22.565 9.072 11.848 681 HZ2 LYS 683 1HZ LYS 683 21.137 9.681 12.482 682 HZ3 LYS 683 2HZ LYS 683 22.605 10.039 13.225 683 H ARG 684 H ARG 684 18.634 15.312 8.682 684 HA ARG 684 HA ARG 684 16.946 15.197 7.312 685 HB2 ARG 684 2HB ARG 684 19.089 15.009 5.213 686 HB3 ARG 684 1HB ARG 684 17.380 15.206 4.838 687 HG2 ARG 684 2HG ARG 684 17.339 17.273 6.145 688 HG3 ARG 684 1HG ARG 684 19.054 17.079 6.485 689 HD2 ARG 684 2HD ARG 684 19.550 17.246 4.119 690 HD3 ARG 684 1HD ARG 684 17.814 17.376 3.777 691 HE ARG 684 HE ARG 684 18.403 19.345 5.602 692 HH12 ARG 684 1HH ARG 684 19.617 20.240 1.859 693 HH21 ARG 684 2HH ARG 684 19.213 21.966 3.455 694 H THR 685 H THR 685 15.723 13.670 7.735 695 HA THR 685 HA THR 685 16.374 10.987 6.811 696 HB THR 685 HB THR 685 14.308 11.919 8.819 697 HG1 THR 685 1HG THR 685 15.814 10.973 10.286 698 HG21 THR 685 2HG THR 685 14.171 9.540 9.425 699 HA PRO 686 HA PRO 686 13.361 11.924 3.637 700 HB2 PRO 686 2HB PRO 686 13.618 9.072 2.978 701 HB3 PRO 686 1HB PRO 686 13.917 10.501 1.986 702 HG2 PRO 686 2HG PRO 686 15.943 8.972 2.904 703 HG3 PRO 686 1HG PRO 686 16.087 10.728 2.692 704 HD2 PRO 686 2HD PRO 686 15.653 9.153 5.196 705 HD3 PRO 686 1HD PRO 686 16.663 10.590 4.907 706 H ARG 687 H ARG 687 11.278 11.687 3.516 707 HA ARG 687 HA ARG 687 9.769 10.742 5.648 708 HB2 ARG 687 2HB ARG 687 9.308 12.552 3.963 709 HB3 ARG 687 1HB ARG 687 8.893 11.298 2.825 710 HG2 ARG 687 2HG ARG 687 7.037 10.633 4.169 711 HG3 ARG 687 1HG ARG 687 7.502 11.759 5.447 712 HD2 ARG 687 2HD ARG 687 6.607 12.449 2.647 713 HD3 ARG 687 1HD ARG 687 5.754 12.832 4.157 714 HE ARG 687 HE ARG 687 8.275 13.967 3.207 715 HH12 ARG 687 1HH ARG 687 5.667 15.939 5.605 716 HH21 ARG 687 2HH ARG 687 7.382 17.096 4.652 717 H ALA 688 H ALA 688 8.597 8.836 5.917 718 HA ALA 688 HA ALA 688 8.900 6.810 3.836 719 HB1 ALA 688 1HB ALA 688 10.656 6.450 5.503 720 HB2 ALA 688 2HB ALA 688 9.473 5.140 5.520 721 HB3 ALA 688 3HB ALA 688 9.435 6.379 6.775 722 H THR 689 H THR 689 7.323 5.275 3.781 723 HA THR 689 HA THR 689 4.930 5.752 5.440 724 HB THR 689 HB THR 689 4.994 4.893 2.539 725 HG1 THR 689 1HG THR 689 5.632 7.035 2.999 726 HG21 THR 689 2HG THR 689 2.581 5.355 2.621 727 H LEU 690 H LEU 690 4.239 3.914 6.469 728 HA LEU 690 HA LEU 690 5.088 1.449 5.306 729 HB2 LEU 690 2HB LEU 690 6.576 1.969 7.151 730 HB3 LEU 690 1HB LEU 690 5.220 2.257 8.213 731 HG LEU 690 HG LEU 690 5.614 -0.414 6.984 732 HD13 LEU 690 1HD LEU 690 7.768 0.198 8.039 733 HD21 LEU 690 2HD LEU 690 4.453 0.539 9.587 734 H ILE 691 H ILE 691 3.430 0.291 4.815 735 HA ILE 691 HA ILE 691 0.783 0.886 5.933 736 HB ILE 691 HB ILE 691 1.488 -0.932 3.601 737 HG12 ILE 691 1HG ILE 691 0.438 0.624 2.146 738 HG23 ILE 691 2HG ILE 691 -0.489 -1.650 4.696 739 HD11 ILE 691 1HD ILE 691 2.791 0.851 2.223 740 H THR 692 H THR 692 -0.255 -0.551 7.212 741 HA THR 692 HA THR 692 1.002 -3.132 7.693 742 HB THR 692 HB THR 692 -1.024 -1.584 9.345 743 HG1 THR 692 1HG THR 692 0.867 -1.328 10.720 744 HG21 THR 692 2HG THR 692 0.740 -3.933 10.027 745 H PHE 693 H PHE 693 -0.023 -4.728 6.620 746 HA PHE 693 HA PHE 693 -2.775 -4.424 5.711 747 HB2 PHE 693 2HB PHE 693 -0.697 -6.553 5.201 748 HB3 PHE 693 1HB PHE 693 -2.329 -6.628 4.556 749 HD1 PHE 693 1HD PHE 693 0.879 -4.872 4.377 750 HD2 PHE 693 2HD PHE 693 -2.943 -5.351 2.664 751 HE1 PHE 693 1HE PHE 693 1.583 -3.515 2.372 752 HE2 PHE 693 2HE PHE 693 -2.261 -4.062 0.691 753 HZ PHE 693 HZ PHE 693 -0.030 -3.157 0.522 754 H LEU 694 H LEU 694 -4.341 -5.052 6.980 755 HA LEU 694 HA LEU 694 -3.857 -7.315 8.813 756 HB2 LEU 694 2HB LEU 694 -5.891 -5.099 9.183 757 HB3 LEU 694 1HB LEU 694 -5.667 -6.459 10.248 758 HG LEU 694 HG LEU 694 -3.329 -5.490 10.701 759 HD13 LEU 694 1HD LEU 694 -3.088 -3.090 10.368 760 HD21 LEU 694 2HD LEU 694 -4.216 -3.930 12.370 761 H CYS 695 H CYS 695 -5.396 -8.897 8.909 762 HA CYS 695 HA CYS 695 -7.554 -8.721 6.948 763 HB2 CYS 695 2HB CYS 695 -6.162 -10.719 6.634 764 HB3 CYS 695 1HB CYS 695 -6.339 -11.142 8.331 765 H ASP 696 H ASP 696 -8.655 -7.332 8.280 766 HA ASP 696 HA ASP 696 -9.527 -8.311 10.872 767 HB2 ASP 696 2HB ASP 696 -8.689 -6.008 10.710 768 HB3 ASP 696 1HB ASP 696 -9.927 -5.644 9.521 769 H ARG 697 H ARG 697 -11.249 -9.486 10.934 770 HA ARG 697 HA ARG 697 -13.206 -10.461 10.582 771 HB2 ARG 697 2HB ARG 697 -14.073 -8.249 11.290 772 HB3 ARG 697 1HB ARG 697 -14.120 -7.741 9.609 773 HG2 ARG 697 2HG ARG 697 -15.723 -9.586 9.150 774 HG3 ARG 697 1HG ARG 697 -15.739 -9.935 10.879 775 HD2 ARG 697 2HD ARG 697 -16.533 -7.632 11.292 776 HD3 ARG 697 1HD ARG 697 -16.578 -7.369 9.550 777 HE ARG 697 HE ARG 697 -18.070 -9.635 10.508 778 HH12 ARG 697 1HH ARG 697 -19.893 -6.193 9.405 779 HH21 ARG 697 2HH ARG 697 -21.169 -8.157 9.865 780 H ASP 698 H ASP 698 -13.694 -8.279 7.870 781 HA ASP 698 HA ASP 698 -13.230 -10.346 5.917 782 HB2 ASP 698 2HB ASP 698 -15.959 -9.144 6.391 783 HB3 ASP 698 1HB ASP 698 -15.482 -9.869 4.868 784 H ALA 699 H ALA 699 -12.565 -9.469 4.068 785 HA ALA 699 HA ALA 699 -13.177 -6.745 3.410 786 HB1 ALA 699 1HB ALA 699 -10.344 -7.633 3.981 787 HB2 ALA 699 2HB ALA 699 -11.272 -6.479 4.932 788 HB3 ALA 699 3HB ALA 699 -10.806 -6.084 3.277 789 H GLY 700 H GLY 700 -11.910 -6.276 1.303 790 HA2 GLY 700 2HA GLY 700 -11.862 -8.757 -0.282 791 HA3 GLY 700 1HA GLY 700 -12.293 -7.169 -0.916 792 H VAL 701 H VAL 701 -10.803 -6.066 -1.884 793 HA VAL 701 HA VAL 701 -8.094 -7.040 -2.000 794 HB VAL 701 HB VAL 701 -9.275 -4.516 -3.223 795 HG13 VAL 701 1HG VAL 701 -7.385 -4.629 -4.772 796 HG21 VAL 701 2HG VAL 701 -10.456 -6.502 -4.006 797 H GLY 702 H GLY 702 -9.852 -4.489 -0.454 798 HA2 GLY 702 2HA GLY 702 -9.180 -3.708 1.660 799 HA3 GLY 702 1HA GLY 702 -7.521 -4.040 1.220 800 H PHE 703 H PHE 703 -9.013 -1.690 2.283 801 HA PHE 703 HA PHE 703 -7.917 0.250 0.407 802 HB2 PHE 703 2HB PHE 703 -10.358 0.495 0.613 803 HB3 PHE 703 1HB PHE 703 -10.226 0.538 2.365 804 HD1 PHE 703 2HD PHE 703 -9.139 2.345 -0.700 805 HD2 PHE 703 1HD PHE 703 -10.077 2.587 3.446 806 HE1 PHE 703 2HE PHE 703 -8.940 4.789 -0.802 807 HE2 PHE 703 1HE PHE 703 -9.878 5.044 3.347 808 HZ PHE 703 HZ PHE 703 -9.302 6.141 1.223 809 HA PRO 704 HA PRO 704 -5.192 1.007 3.923 810 HB2 PRO 704 2HB PRO 704 -3.873 3.145 2.913 811 HB3 PRO 704 1HB PRO 704 -3.532 1.495 2.382 812 HG2 PRO 704 2HG PRO 704 -5.164 3.613 1.052 813 HG3 PRO 704 1HG PRO 704 -4.051 2.438 0.329 814 HD2 PRO 704 2HD PRO 704 -6.773 2.155 0.325 815 HD3 PRO 704 1HD PRO 704 -5.638 0.790 0.268 816 H GLU 705 H GLU 705 -5.435 2.278 5.692 817 HA GLU 705 HA GLU 705 -7.001 4.727 5.385 818 HB2 GLU 705 2HB GLU 705 -7.949 2.411 6.375 819 HB3 GLU 705 1HB GLU 705 -7.267 3.088 7.842 820 HG2 GLU 705 2HG GLU 705 -9.159 4.509 6.050 821 HG3 GLU 705 1HG GLU 705 -9.676 3.541 7.447 822 H TYR 706 H TYR 706 -6.514 6.325 7.011 823 HA TYR 706 HA TYR 706 -3.653 6.256 7.627 824 HB2 TYR 706 2HB TYR 706 -4.415 8.029 6.150 825 HB3 TYR 706 1HB TYR 706 -5.574 8.565 7.350 826 HD1 TYR 706 1HD TYR 706 -1.950 7.698 7.744 827 HD2 TYR 706 2HD TYR 706 -4.947 10.695 7.857 828 HE1 TYR 706 1HE TYR 706 -0.305 9.293 8.610 829 HE2 TYR 706 2HE TYR 706 -3.317 12.307 8.715 830 HH TYR 706 HH TYR 706 -1.287 12.310 9.880 831 H GLN 707 H GLN 707 -2.795 6.749 9.611 832 HA GLN 707 HA GLN 707 -4.604 6.421 11.864 833 HB2 GLN 707 2HB GLN 707 -2.391 5.949 13.132 834 HB3 GLN 707 1HB GLN 707 -2.996 4.763 12.000 835 HG2 GLN 707 2HG GLN 707 -0.781 4.881 11.803 836 HG3 GLN 707 1HG GLN 707 -1.379 5.643 10.325 837 HE21 GLN 707 2HE GLN 707 0.440 8.004 13.127 838 H GLU 708 H GLU 708 -4.729 8.922 10.844 839 HA GLU 708 HA GLU 708 -5.036 11.024 11.574 840 HB2 GLU 708 2HB GLU 708 -3.971 10.047 14.216 841 HB3 GLU 708 1HB GLU 708 -4.810 11.572 13.960 842 HG2 GLU 708 2HG GLU 708 -6.816 10.373 13.304 843 HG3 GLU 708 1HG GLU 708 -5.974 8.836 13.501 844 H GLU 709 H GLU 709 -1.942 10.066 13.119 845 HA GLU 709 HA GLU 709 -0.424 11.646 11.342 846 HB2 GLU 709 2HB GLU 709 -1.442 13.545 12.559 847 HB3 GLU 709 1HB GLU 709 -0.795 12.920 14.068 848 HG2 GLU 709 2HG GLU 709 1.489 13.187 13.159 849 HG3 GLU 709 1HG GLU 709 0.804 13.888 11.703 850 H ASP 710 H ASP 710 1.675 11.286 11.482 851 HA ASP 710 HA ASP 710 2.860 10.401 13.968 852 HB2 ASP 710 2HB ASP 710 2.692 8.352 12.519 853 HB3 ASP 710 1HB ASP 710 3.527 9.221 11.230 854 H ASN 711 H ASN 711 5.146 11.067 13.986 855 HA ASN 711 HA ASN 711 5.236 13.671 12.869 856 HB2 ASN 711 2HB ASN 711 7.214 12.250 14.638 857 HB3 ASN 711 1HB ASN 711 7.432 13.905 14.077 858 HD21 ASN 711 2HD ASN 711 4.914 13.039 17.122 859 H SER 712 H SER 712 6.560 10.642 11.792 860 HA SER 712 HA SER 712 7.503 12.083 9.522 861 HB2 SER 712 2HB SER 712 9.834 11.261 9.547 862 HB3 SER 712 1HB SER 712 9.459 12.443 10.790 863 HG SER 712 HG SER 712 9.150 10.587 12.234 864 H THR 713 H THR 713 6.825 8.968 10.959 865 HA THR 713 HA THR 713 7.105 7.784 8.295 866 HB THR 713 HB THR 713 7.202 6.370 10.981 867 HG1 THR 713 1HG THR 713 9.011 7.833 9.963 868 HG21 THR 713 2HG THR 713 7.783 5.376 8.172 869 H TYR 714 H TYR 714 5.130 8.001 7.486 870 HA TYR 714 HA TYR 714 2.780 7.981 9.095 871 HB2 TYR 714 2HB TYR 714 3.083 7.924 6.083 872 HB3 TYR 714 1HB TYR 714 1.585 8.225 6.950 873 HD1 TYR 714 1HD TYR 714 4.933 9.612 6.175 874 HD2 TYR 714 2HD TYR 714 1.100 10.418 7.843 875 HE1 TYR 714 1HE TYR 714 5.450 11.989 6.195 876 HE2 TYR 714 2HE TYR 714 1.621 12.825 7.850 877 HH TYR 714 HH TYR 714 3.625 14.258 7.864 878 H ASN 715 H ASN 715 1.498 6.343 9.587 879 HA ASN 715 HA ASN 715 2.158 3.687 8.482 880 HB2 ASN 715 2HB ASN 715 2.002 4.362 11.233 881 HB3 ASN 715 1HB ASN 715 0.433 4.215 10.709 882 HD21 ASN 715 2HD ASN 715 1.670 0.553 9.887 883 H PHE 716 H PHE 716 0.353 2.339 7.924 884 HA PHE 716 HA PHE 716 -2.228 3.675 7.722 885 HB2 PHE 716 2HB PHE 716 -0.628 2.589 5.446 886 HB3 PHE 716 1HB PHE 716 -2.363 2.715 5.282 887 HD1 PHE 716 2HD PHE 716 0.809 4.506 5.477 888 HD2 PHE 716 1HD PHE 716 -3.414 4.933 5.261 889 HE1 PHE 716 2HE PHE 716 1.074 6.889 4.904 890 HE2 PHE 716 1HE PHE 716 -3.148 7.303 4.685 891 HZ PHE 716 HZ PHE 716 -0.917 8.280 4.513 892 H ARG 717 H ARG 717 -3.979 2.389 7.926 893 HA ARG 717 HA ARG 717 -3.435 -0.444 8.414 894 HB2 ARG 717 2HB ARG 717 -5.772 1.318 9.109 895 HB3 ARG 717 1HB ARG 717 -5.931 -0.418 9.088 896 HG2 ARG 717 2HG ARG 717 -5.637 0.302 11.340 897 HG3 ARG 717 1HG ARG 717 -4.187 -0.551 10.804 898 HD2 ARG 717 2HD ARG 717 -2.995 1.498 10.574 899 HD3 ARG 717 1HD ARG 717 -4.485 2.425 10.833 900 HE ARG 717 HE ARG 717 -4.388 1.078 13.092 901 HH12 ARG 717 1HH ARG 717 -0.933 3.128 12.991 902 HH21 ARG 717 2HH ARG 717 -1.903 2.630 15.025 903 H TRP 718 H TRP 718 -3.551 -1.564 6.667 904 HA TRP 718 HA TRP 718 -5.595 -0.877 4.655 905 HB2 TRP 718 2HB TRP 718 -3.144 -0.978 4.002 906 HB3 TRP 718 1HB TRP 718 -3.165 -2.680 4.421 907 HD1 TRP 718 HD TRP 718 -5.652 -3.734 2.891 908 HE1 TRP 718 1HE TRP 718 -5.722 -3.706 0.303 909 HE3 TRP 718 3HE TRP 718 -2.142 -0.077 1.965 910 HZ2 TRP 718 2HZ TRP 718 -4.484 -2.360 -1.798 911 HZ3 TRP 718 3HZ TRP 718 -1.660 0.491 -0.357 912 HH2 TRP 718 HH TRP 718 -2.798 -0.618 -2.199 913 H TYR 719 H TYR 719 -7.361 -2.073 4.978 914 HA TYR 719 HA TYR 719 -7.058 -4.643 6.340 915 HB2 TYR 719 2HB TYR 719 -9.557 -3.069 5.722 916 HB3 TYR 719 1HB TYR 719 -9.479 -4.527 6.703 917 HD1 TYR 719 2HD TYR 719 -8.347 -4.454 8.883 918 HD2 TYR 719 1HD TYR 719 -9.012 -0.935 6.615 919 HE1 TYR 719 2HE TYR 719 -7.972 -3.083 10.906 920 HE2 TYR 719 1HE TYR 719 -8.623 0.448 8.635 921 HH TYR 719 HH TYR 719 -8.756 0.222 10.995 922 H THR 720 H THR 720 -6.743 -6.234 5.025 923 HA THR 720 HA THR 720 -8.346 -6.420 2.608 924 HB THR 720 HB THR 720 -6.247 -5.491 1.825 925 HG1 THR 720 1HG THR 720 -6.494 -6.720 0.226 926 HG21 THR 720 2HG THR 720 -4.777 -6.153 3.598 927 H SER 721 H SER 721 -8.859 -8.465 1.924 928 HA SER 721 HA SER 721 -8.785 -10.528 3.864 929 HB2 SER 721 2HB SER 721 -10.597 -10.275 2.167 930 HB3 SER 721 1HB SER 721 -9.454 -10.676 0.896 931 HG SER 721 HG SER 721 -9.173 -12.722 2.012 932 H TYR 722 H TYR 722 -6.719 -9.496 1.299 933 HA TYR 722 HA TYR 722 -5.333 -11.905 0.827 934 HB2 TYR 722 2HB TYR 722 -4.596 -9.043 0.301 935 HB3 TYR 722 1HB TYR 722 -3.578 -10.395 -0.176 936 HD1 TYR 722 1HD TYR 722 -6.822 -8.720 -0.768 937 HD2 TYR 722 2HD TYR 722 -4.134 -11.752 -2.019 938 HE1 TYR 722 1HE TYR 722 -8.086 -8.971 -2.872 939 HE2 TYR 722 2HE TYR 722 -5.382 -12.010 -4.117 940 HH TYR 722 HH TYR 722 -7.570 -11.600 -4.950 941 H ALA 723 H ALA 723 -5.268 -9.947 3.541 942 HA ALA 723 HA ALA 723 -2.503 -10.477 4.215 943 HB1 ALA 723 1HB ALA 723 -4.688 -9.231 5.881 944 HB2 ALA 723 2HB ALA 723 -3.536 -8.355 4.877 945 HB3 ALA 723 3HB ALA 723 -2.970 -9.263 6.279 946 H CYS 724 H CYS 724 -5.062 -12.413 4.085 947 HA CYS 724 HA CYS 724 -3.985 -14.166 6.089 948 HB2 CYS 724 2HB CYS 724 -6.282 -14.694 6.933 949 HB3 CYS 724 1HB CYS 724 -5.779 -13.051 7.311 950 HA PRO 725 HA PRO 725 -4.899 -16.968 2.737 951 HB2 PRO 725 2HB PRO 725 -5.307 -19.203 4.571 952 HB3 PRO 725 1HB PRO 725 -3.953 -18.910 3.483 953 HG2 PRO 725 2HG PRO 725 -3.720 -18.762 6.185 954 HG3 PRO 725 1HG PRO 725 -2.738 -17.784 5.081 955 HD2 PRO 725 2HD PRO 725 -5.188 -17.016 6.626 956 HD3 PRO 725 1HD PRO 725 -3.681 -16.107 6.366 Start of MODEL 8 1 H1 GLU 578 1HT GLU 578 0.266 -12.863 16.447 2 H2 GLU 578 2HT GLU 578 0.135 -12.490 18.095 3 H3 GLU 578 3HT GLU 578 1.604 -12.952 17.465 4 HA GLU 578 HA GLU 578 1.752 -10.968 16.161 5 HB2 GLU 578 2HB GLU 578 -0.927 -10.912 16.204 6 HB3 GLU 578 1HB GLU 578 -0.684 -9.989 17.666 7 HG2 GLU 578 2HG GLU 578 0.365 -9.203 14.943 8 HG3 GLU 578 1HG GLU 578 -1.135 -8.622 15.634 9 H ALA 579 H ALA 579 2.719 -9.123 17.253 10 HA ALA 579 HA ALA 579 3.940 -8.153 18.775 11 HB1 ALA 579 1HB ALA 579 1.745 -7.669 19.828 12 HB2 ALA 579 2HB ALA 579 3.087 -7.707 20.964 13 HB3 ALA 579 3HB ALA 579 1.977 -9.078 20.867 14 H GLU 580 H GLU 580 5.582 -9.630 18.232 15 HA GLU 580 HA GLU 580 6.552 -10.922 20.682 16 HB2 GLU 580 2HB GLU 580 7.004 -11.777 17.804 17 HB3 GLU 580 1HB GLU 580 7.851 -12.457 19.182 18 HG2 GLU 580 2HG GLU 580 5.698 -13.285 20.047 19 HG3 GLU 580 1HG GLU 580 4.904 -12.650 18.607 20 H ALA 581 H ALA 581 6.638 -8.264 19.499 21 HA ALA 581 HA ALA 581 9.216 -7.919 18.348 22 HB1 ALA 581 1HB ALA 581 7.322 -6.551 17.627 23 HB2 ALA 581 2HB ALA 581 8.705 -5.594 18.147 24 HB3 ALA 581 3HB ALA 581 7.306 -5.769 19.210 25 H GLU 582 H GLU 582 10.420 -8.783 19.969 26 HA GLU 582 HA GLU 582 11.516 -6.682 21.715 27 HB2 GLU 582 2HB GLU 582 10.221 -8.686 22.892 28 HB3 GLU 582 1HB GLU 582 11.603 -9.648 22.415 29 HG2 GLU 582 2HG GLU 582 11.745 -7.210 24.199 30 HG3 GLU 582 1HG GLU 582 11.626 -8.848 24.797 31 H PHE 583 H PHE 583 11.658 -7.541 19.079 32 HA PHE 583 HA PHE 583 14.294 -7.494 18.370 33 HB2 PHE 583 2HB PHE 583 14.329 -9.894 19.114 34 HB3 PHE 583 1HB PHE 583 12.926 -10.212 18.108 35 HD1 PHE 583 1HD PHE 583 16.502 -9.240 17.994 36 HD2 PHE 583 2HD PHE 583 13.183 -10.816 15.851 37 HE1 PHE 583 1HE PHE 583 17.993 -9.842 16.136 38 HE2 PHE 583 2HE PHE 583 14.671 -11.423 13.989 39 HZ PHE 583 HZ PHE 583 17.078 -10.938 14.129 40 H LEU 584 H LEU 584 14.184 -6.978 16.131 41 HA LEU 584 HA LEU 584 11.498 -6.509 15.245 42 HB2 LEU 584 2HB LEU 584 14.122 -5.851 13.917 43 HB3 LEU 584 1HB LEU 584 12.550 -5.437 13.257 44 HG LEU 584 HG LEU 584 13.621 -4.450 15.894 45 HD13 LEU 584 1HD LEU 584 13.828 -2.282 14.757 46 HD21 LEU 584 2HD LEU 584 11.190 -4.570 15.876 47 H SER 585 H SER 585 10.692 -8.501 15.051 48 HA SER 585 HA SER 585 11.820 -10.401 13.302 49 HB2 SER 585 2HB SER 585 9.560 -11.538 13.822 50 HB3 SER 585 1HB SER 585 10.725 -11.319 15.135 51 HG SER 585 HG SER 585 8.212 -10.421 15.072 52 H ARG 586 H ARG 586 11.968 -9.164 11.461 53 HA ARG 586 HA ARG 586 9.454 -8.894 9.953 54 HB2 ARG 586 2HB ARG 586 10.421 -6.707 10.632 55 HB3 ARG 586 1HB ARG 586 11.905 -7.139 9.799 56 HG2 ARG 586 2HG ARG 586 10.596 -7.305 7.707 57 HG3 ARG 586 1HG ARG 586 9.200 -6.659 8.582 58 HD2 ARG 586 2HD ARG 586 11.869 -5.318 8.165 59 HD3 ARG 586 1HD ARG 586 10.340 -4.864 7.413 60 HE ARG 586 HE ARG 586 9.773 -4.636 10.015 61 HH12 ARG 586 1HH ARG 586 12.768 -2.063 9.063 62 HH21 ARG 586 2HH ARG 586 11.395 -1.684 11.007 63 H THR 587 H THR 587 9.518 -10.491 8.520 64 HA THR 587 HA THR 587 12.051 -11.129 7.219 65 HB THR 587 HB THR 587 9.362 -12.515 7.104 66 HG1 THR 587 1HG THR 587 10.308 -12.812 9.021 67 HG21 THR 587 2HG THR 587 10.579 -12.853 5.024 68 H GLU 588 H GLU 588 12.433 -10.602 5.150 69 HA GLU 588 HA GLU 588 10.347 -9.045 3.828 70 HB2 GLU 588 2HB GLU 588 12.232 -7.971 2.598 71 HB3 GLU 588 1HB GLU 588 12.236 -7.686 4.330 72 HG2 GLU 588 2HG GLU 588 13.918 -9.501 4.561 73 HG3 GLU 588 1HG GLU 588 13.977 -9.597 2.801 74 H GLY 589 H GLY 589 9.831 -9.375 1.723 75 HA2 GLY 589 2HA GLY 589 10.959 -11.825 0.508 76 HA3 GLY 589 1HA GLY 589 9.243 -11.457 0.455 77 H ASP 590 H ASP 590 9.435 -8.726 -0.076 78 HA ASP 590 HA ASP 590 9.666 -7.169 -1.689 79 HB2 ASP 590 2HB ASP 590 12.028 -8.838 -2.526 80 HB3 ASP 590 1HB ASP 590 11.526 -7.436 -3.459 81 H ASN 591 H ASN 591 9.533 -6.724 -3.965 82 HA ASN 591 HA ASN 591 8.251 -6.700 -5.785 83 HB2 ASN 591 2HB ASN 591 10.116 -8.117 -6.559 84 HB3 ASN 591 1HB ASN 591 9.200 -9.550 -6.098 85 HD21 ASN 591 2HD ASN 591 8.195 -9.634 -9.423 86 H CYS 592 H CYS 592 6.540 -6.650 -4.066 87 HA CYS 592 HA CYS 592 4.340 -6.893 -3.613 88 HB2 CYS 592 2HB CYS 592 4.271 -8.645 -6.061 89 HB3 CYS 592 1HB CYS 592 2.871 -7.956 -5.253 90 H THR 593 H THR 593 6.454 -9.346 -3.199 91 HA THR 593 HA THR 593 4.379 -11.058 -2.101 92 HB THR 593 HB THR 593 5.952 -12.986 -2.523 93 HG1 THR 593 1HG THR 593 7.604 -11.075 -3.372 94 HG21 THR 593 2HG THR 593 4.827 -11.527 -4.907 95 H VAL 594 H VAL 594 4.765 -12.144 -0.260 96 HA VAL 594 HA VAL 594 7.218 -11.607 1.168 97 HB VAL 594 HB VAL 594 5.783 -9.849 1.983 98 HG13 VAL 594 1HG VAL 594 3.625 -10.767 1.285 99 HG21 VAL 594 2HG VAL 594 5.646 -10.361 4.300 100 H PHE 595 H PHE 595 7.966 -13.381 2.113 101 HA PHE 595 HA PHE 595 6.090 -15.469 2.803 102 HB2 PHE 595 2HB PHE 595 7.627 -17.175 1.826 103 HB3 PHE 595 1HB PHE 595 6.896 -16.132 0.619 104 HD1 PHE 595 1HD PHE 595 8.256 -14.515 -0.612 105 HD2 PHE 595 2HD PHE 595 10.012 -17.128 2.256 106 HE1 PHE 595 1HE PHE 595 10.492 -14.006 -1.516 107 HE2 PHE 595 2HE PHE 595 12.239 -16.623 1.360 108 HZ PHE 595 HZ PHE 595 12.484 -15.062 -0.528 109 H ASP 596 H ASP 596 6.575 -16.500 4.652 110 HA ASP 596 HA ASP 596 9.086 -15.754 6.074 111 HB2 ASP 596 2HB ASP 596 6.596 -17.209 7.089 112 HB3 ASP 596 1HB ASP 596 7.977 -16.768 8.062 113 H SER 597 H SER 597 10.627 -17.161 5.445 114 HA SER 597 HA SER 597 10.067 -19.783 4.571 115 HB2 SER 597 2HB SER 597 12.666 -18.544 5.482 116 HB3 SER 597 1HB SER 597 12.518 -20.061 4.582 117 HG SER 597 HG SER 597 12.975 -18.166 3.312 118 H GLN 598 H GLN 598 10.392 -18.365 7.559 119 HA GLN 598 HA GLN 598 11.394 -20.347 9.286 120 HB2 GLN 598 2HB GLN 598 9.260 -18.299 9.846 121 HB3 GLN 598 1HB GLN 598 10.386 -19.006 10.994 122 HG2 GLN 598 2HG GLN 598 12.201 -17.817 10.106 123 HG3 GLN 598 1HG GLN 598 11.310 -17.364 8.657 124 HE21 GLN 598 2HE GLN 598 9.650 -14.648 10.009 125 H ALA 599 H ALA 599 8.083 -19.464 8.312 126 HA ALA 599 HA ALA 599 7.025 -21.843 9.624 127 HB1 ALA 599 1HB ALA 599 5.962 -19.712 10.152 128 HB2 ALA 599 2HB ALA 599 4.833 -20.781 9.322 129 HB3 ALA 599 3HB ALA 599 5.598 -19.453 8.454 130 H GLY 600 H GLY 600 7.935 -20.735 6.559 131 HA2 GLY 600 2HA GLY 600 7.709 -21.675 4.467 132 HA3 GLY 600 1HA GLY 600 6.817 -23.022 5.202 133 H PHE 601 H PHE 601 6.300 -19.585 5.269 134 HA PHE 601 HA PHE 601 3.463 -19.996 4.570 135 HB2 PHE 601 2HB PHE 601 4.106 -19.373 6.898 136 HB3 PHE 601 1HB PHE 601 4.860 -17.927 6.259 137 HD1 PHE 601 1HD PHE 601 1.747 -19.667 6.934 138 HD2 PHE 601 2HD PHE 601 3.535 -16.014 5.649 139 HE1 PHE 601 1HE PHE 601 -0.383 -18.511 7.268 140 HE2 PHE 601 2HE PHE 601 1.427 -14.878 5.991 141 HZ PHE 601 HZ PHE 601 -0.547 -16.110 6.799 142 H SER 602 H SER 602 2.654 -18.572 2.913 143 HA SER 602 HA SER 602 4.468 -16.517 1.951 144 HB2 SER 602 2HB SER 602 4.151 -17.356 -0.408 145 HB3 SER 602 1HB SER 602 5.157 -18.365 0.634 146 HG SER 602 HG SER 602 2.592 -19.113 0.860 147 H PHE 603 H PHE 603 3.480 -14.673 1.258 148 HA PHE 603 HA PHE 603 0.737 -14.870 0.311 149 HB2 PHE 603 2HB PHE 603 1.814 -12.774 2.180 150 HB3 PHE 603 1HB PHE 603 0.448 -12.454 1.135 151 HD1 PHE 603 2HD PHE 603 -1.110 -14.910 1.309 152 HD2 PHE 603 1HD PHE 603 1.048 -12.821 4.306 153 HE1 PHE 603 2HE PHE 603 -2.650 -15.772 3.021 154 HE2 PHE 603 1HE PHE 603 -0.485 -13.687 6.009 155 HZ PHE 603 HZ PHE 603 -2.334 -15.163 5.364 156 H ASP 604 H ASP 604 0.123 -13.479 -1.183 157 HA ASP 604 HA ASP 604 2.190 -12.003 -2.670 158 HB2 ASP 604 2HB ASP 604 1.776 -14.071 -3.899 159 HB3 ASP 604 1HB ASP 604 0.038 -13.812 -3.816 160 H LEU 605 H LEU 605 1.620 -9.935 -2.797 161 HA LEU 605 HA LEU 605 -1.240 -9.357 -2.529 162 HB2 LEU 605 2HB LEU 605 1.108 -7.657 -1.717 163 HB3 LEU 605 1HB LEU 605 -0.572 -7.176 -1.593 164 HG LEU 605 HG LEU 605 0.781 -9.397 -0.057 165 HD13 LEU 605 1HD LEU 605 1.361 -7.198 0.715 166 HD21 LEU 605 2HD LEU 605 -1.530 -10.038 -0.547 167 H THR 606 H THR 606 0.520 -9.846 -4.960 168 HA THR 606 HA THR 606 0.903 -7.562 -6.374 169 HB THR 606 HB THR 606 0.105 -10.287 -7.428 170 HG1 THR 606 1HG THR 606 1.942 -10.874 -6.489 171 HG21 THR 606 2HG THR 606 0.150 -8.474 -9.077 172 HA PRO 607 HA PRO 607 -3.742 -8.119 -8.130 173 HB2 PRO 607 2HB PRO 607 -5.477 -9.063 -6.182 174 HB3 PRO 607 1HB PRO 607 -4.836 -10.032 -7.510 175 HG2 PRO 607 2HG PRO 607 -3.895 -9.846 -4.676 176 HG3 PRO 607 1HG PRO 607 -4.058 -11.271 -5.712 177 HD2 PRO 607 2HD PRO 607 -1.674 -10.177 -5.277 178 HD3 PRO 607 1HD PRO 607 -2.099 -10.802 -6.885 179 H LEU 608 H LEU 608 -2.702 -7.139 -4.942 180 HA LEU 608 HA LEU 608 -4.854 -5.281 -4.583 181 HB2 LEU 608 2HB LEU 608 -2.321 -5.786 -3.031 182 HB3 LEU 608 1HB LEU 608 -3.442 -4.505 -2.655 183 HG LEU 608 HG LEU 608 -5.170 -6.236 -2.152 184 HD13 LEU 608 1HD LEU 608 -2.895 -8.152 -2.481 185 HD21 LEU 608 2HD LEU 608 -2.594 -6.435 -0.614 186 H THR 609 H THR 609 -1.965 -5.353 -6.301 187 HA THR 609 HA THR 609 -1.288 -2.587 -6.017 188 HB THR 609 HB THR 609 -0.409 -4.616 -8.094 189 HG1 THR 609 1HG THR 609 0.020 -4.989 -5.724 190 HG21 THR 609 2HG THR 609 0.023 -2.277 -8.737 191 H LYS 610 H LYS 610 -2.033 -0.886 -7.272 192 HA LYS 610 HA LYS 610 -3.709 -1.573 -9.586 193 HB2 LYS 610 2HB LYS 610 -4.092 0.683 -7.660 194 HB3 LYS 610 1HB LYS 610 -5.052 0.422 -9.097 195 HG2 LYS 610 2HG LYS 610 -5.710 -1.846 -8.037 196 HG3 LYS 610 1HG LYS 610 -4.993 -1.173 -6.575 197 HD2 LYS 610 2HD LYS 610 -6.514 0.670 -6.556 198 HD3 LYS 610 1HD LYS 610 -7.187 0.200 -8.116 199 HE2 LYS 610 2HE LYS 610 -7.951 -1.931 -7.066 200 HE3 LYS 610 1HE LYS 610 -7.380 -1.319 -5.518 201 HZ1 LYS 610 3HZ LYS 610 -9.481 -0.089 -7.204 202 HZ2 LYS 610 1HZ LYS 610 -8.937 0.545 -5.746 203 HZ3 LYS 610 2HZ LYS 610 -9.746 -0.937 -5.779 204 H LYS 611 H LYS 611 -3.359 -0.348 -11.384 205 HA LYS 611 HA LYS 611 -0.956 1.178 -11.513 206 HB2 LYS 611 2HB LYS 611 -1.577 1.645 -13.837 207 HB3 LYS 611 1HB LYS 611 -1.816 -0.056 -13.469 208 HG2 LYS 611 2HG LYS 611 -4.224 0.346 -13.216 209 HG3 LYS 611 1HG LYS 611 -3.969 2.045 -13.599 210 HD2 LYS 611 2HD LYS 611 -3.114 1.415 -15.801 211 HD3 LYS 611 1HD LYS 611 -3.365 -0.288 -15.412 212 HE2 LYS 611 2HE LYS 611 -5.760 0.131 -15.137 213 HE3 LYS 611 1HE LYS 611 -5.507 1.829 -15.552 214 HZ1 LYS 611 3HZ LYS 611 -4.716 1.101 -17.731 215 HZ2 LYS 611 1HZ LYS 611 -6.291 0.554 -17.437 216 HZ3 LYS 611 2HZ LYS 611 -4.989 -0.500 -17.304 217 H ASP 612 H ASP 612 -4.228 1.890 -10.832 218 HA ASP 612 HA ASP 612 -4.044 4.748 -11.322 219 HB2 ASP 612 2HB ASP 612 -6.234 3.135 -9.997 220 HB3 ASP 612 1HB ASP 612 -6.346 4.817 -10.492 221 H ALA 613 H ALA 613 -3.398 2.572 -8.845 222 HA ALA 613 HA ALA 613 -2.725 2.671 -6.726 223 HB1 ALA 613 1HB ALA 613 -1.219 4.444 -7.531 224 HB2 ALA 613 2HB ALA 613 -1.692 4.685 -5.851 225 HB3 ALA 613 3HB ALA 613 -2.434 5.652 -7.127 226 H TYR 614 H TYR 614 -3.148 3.646 -4.566 227 HA TYR 614 HA TYR 614 -6.041 3.954 -4.201 228 HB2 TYR 614 2HB TYR 614 -3.804 3.169 -2.346 229 HB3 TYR 614 1HB TYR 614 -5.458 3.384 -1.804 230 HD1 TYR 614 2HD TYR 614 -3.325 1.439 -4.149 231 HD2 TYR 614 1HD TYR 614 -6.966 1.591 -1.962 232 HE1 TYR 614 2HE TYR 614 -3.783 -0.855 -4.775 233 HE2 TYR 614 1HE TYR 614 -7.435 -0.738 -2.583 234 HH TYR 614 HH TYR 614 -5.049 -2.694 -4.071 235 H LYS 615 H LYS 615 -6.856 5.606 -2.894 236 HA LYS 615 HA LYS 615 -4.934 7.648 -2.177 237 HB2 LYS 615 2HB LYS 615 -6.527 9.388 -2.838 238 HB3 LYS 615 1HB LYS 615 -6.030 8.390 -4.180 239 HG2 LYS 615 2HG LYS 615 -8.240 8.506 -4.634 240 HG3 LYS 615 1HG LYS 615 -8.230 7.090 -3.584 241 HD2 LYS 615 2HD LYS 615 -10.078 8.573 -2.979 242 HD3 LYS 615 1HD LYS 615 -8.896 8.473 -1.676 243 HE2 LYS 615 2HE LYS 615 -8.001 10.620 -2.211 244 HE3 LYS 615 1HE LYS 615 -8.905 10.690 -3.721 245 HZ1 LYS 615 3HZ LYS 615 -10.909 10.909 -2.525 246 HZ2 LYS 615 1HZ LYS 615 -9.868 12.054 -1.936 247 HZ3 LYS 615 2HZ LYS 615 -10.247 10.666 -1.032 248 H VAL 616 H VAL 616 -5.053 8.358 -0.227 249 HA VAL 616 HA VAL 616 -7.297 7.499 1.496 250 HB VAL 616 HB VAL 616 -4.515 8.325 2.345 251 HG13 VAL 616 1HG VAL 616 -6.672 6.887 3.857 252 HG21 VAL 616 2HG VAL 616 -3.989 5.941 2.677 253 H GLU 617 H GLU 617 -8.258 9.139 2.682 254 HA GLU 617 HA GLU 617 -7.157 11.799 2.263 255 HB2 GLU 617 2HB GLU 617 -9.406 12.703 1.897 256 HB3 GLU 617 1HB GLU 617 -8.941 11.557 0.650 257 HG2 GLU 617 2HG GLU 617 -10.297 9.834 1.756 258 HG3 GLU 617 1HG GLU 617 -10.773 11.017 2.972 259 H THR 618 H THR 618 -7.050 13.009 3.952 260 HA THR 618 HA THR 618 -8.833 12.535 6.205 261 HB THR 618 HB THR 618 -6.962 13.272 7.709 262 HG1 THR 618 1HG THR 618 -5.426 13.002 5.337 263 HG21 THR 618 2HG THR 618 -6.291 10.797 6.100 264 H ASP 619 H ASP 619 -8.656 14.706 7.555 265 HA ASP 619 HA ASP 619 -9.391 16.794 5.742 266 HB2 ASP 619 2HB ASP 619 -8.846 16.924 8.711 267 HB3 ASP 619 1HB ASP 619 -9.530 18.235 7.766 268 H LYS 620 H LYS 620 -6.508 15.785 7.138 269 HA LYS 620 HA LYS 620 -5.202 18.356 6.867 270 HB2 LYS 620 2HB LYS 620 -4.223 15.719 7.947 271 HB3 LYS 620 1HB LYS 620 -3.325 17.235 7.993 272 HG2 LYS 620 2HG LYS 620 -4.933 18.247 9.440 273 HG3 LYS 620 1HG LYS 620 -6.040 16.892 9.239 274 HD2 LYS 620 2HD LYS 620 -4.948 16.793 11.394 275 HD3 LYS 620 1HD LYS 620 -4.449 15.434 10.397 276 HE2 LYS 620 2HE LYS 620 -2.360 16.595 9.885 277 HE3 LYS 620 1HE LYS 620 -2.874 17.958 10.886 278 HZ1 LYS 620 3HZ LYS 620 -2.439 15.177 11.831 279 HZ2 LYS 620 1HZ LYS 620 -2.947 16.475 12.786 280 HZ3 LYS 620 2HZ LYS 620 -1.403 16.490 12.114 281 H TYR 621 H TYR 621 -4.677 14.992 5.639 282 HA TYR 621 HA TYR 621 -3.266 16.202 3.339 283 HB2 TYR 621 2HB TYR 621 -2.347 13.689 4.744 284 HB3 TYR 621 1HB TYR 621 -1.550 14.525 3.429 285 HD1 TYR 621 2HD TYR 621 -0.424 16.730 3.904 286 HD2 TYR 621 1HD TYR 621 -1.987 14.263 6.992 287 HE1 TYR 621 2HE TYR 621 0.917 17.948 5.557 288 HE2 TYR 621 1HE TYR 621 -0.643 15.464 8.647 289 HH TYR 621 HH TYR 621 1.351 16.792 8.746 290 H GLU 622 H GLU 622 -3.284 14.872 1.445 291 HA GLU 622 HA GLU 622 -5.033 12.539 1.589 292 HB2 GLU 622 2HB GLU 622 -5.476 12.813 -0.831 293 HB3 GLU 622 1HB GLU 622 -5.995 14.231 0.057 294 HG2 GLU 622 2HG GLU 622 -4.068 15.458 -0.698 295 HG3 GLU 622 1HG GLU 622 -3.409 14.016 -1.473 296 H PHE 623 H PHE 623 -4.154 10.671 1.034 297 HA PHE 623 HA PHE 623 -1.308 10.773 0.268 298 HB2 PHE 623 2HB PHE 623 -2.710 8.628 1.879 299 HB3 PHE 623 1HB PHE 623 -1.016 8.669 1.448 300 HD1 PHE 623 2HD PHE 623 -3.607 10.245 3.514 301 HD2 PHE 623 1HD PHE 623 0.538 9.996 2.627 302 HE1 PHE 623 2HE PHE 623 -3.101 11.505 5.557 303 HE2 PHE 623 1HE PHE 623 1.053 11.251 4.668 304 HZ PHE 623 HZ PHE 623 -0.764 12.006 6.136 305 H HIS 624 H HIS 624 -0.634 9.460 -1.307 306 HA HIS 624 HA HIS 624 -2.650 7.737 -2.530 307 HB2 HIS 624 2HB HIS 624 -0.574 9.426 -3.968 308 HB3 HIS 624 1HB HIS 624 -1.620 8.244 -4.749 309 HD1 HIS 624 1HD HIS 624 -3.906 9.071 -5.498 310 HD2 HIS 624 2HD HIS 624 -2.038 11.726 -2.883 311 HE1 HIS 624 1HE HIS 624 -5.360 11.105 -5.436 312 HE2 HIS 624 2HE HIS 624 -4.240 12.704 -3.847 313 H ILE 625 H ILE 625 -2.078 5.718 -2.552 314 HA ILE 625 HA ILE 625 0.768 5.006 -2.158 315 HB ILE 625 HB ILE 625 -1.569 3.771 -0.672 316 HG12 ILE 625 1HG ILE 625 0.487 5.745 0.352 317 HG23 ILE 625 2HG ILE 625 0.149 2.691 0.697 318 HD11 ILE 625 1HD ILE 625 -0.736 5.689 2.430 319 H ASN 626 H ASN 626 1.256 2.921 -2.959 320 HA ASN 626 HA ASN 626 -0.881 1.384 -4.139 321 HB2 ASN 626 2HB ASN 626 0.031 2.932 -5.915 322 HB3 ASN 626 1HB ASN 626 1.602 2.153 -5.683 323 HD21 ASN 626 2HD ASN 626 0.483 0.468 -8.509 324 H VAL 627 H VAL 627 -0.173 -0.841 -4.450 325 HA VAL 627 HA VAL 627 1.399 -1.579 -2.205 326 HB VAL 627 HB VAL 627 0.233 -3.369 -4.354 327 HG13 VAL 627 1HG VAL 627 2.064 -4.506 -3.164 328 HG21 VAL 627 2HG VAL 627 -1.511 -3.792 -2.697 329 H CYS 628 H CYS 628 2.036 -1.510 -5.527 330 HA CYS 628 HA CYS 628 4.878 -1.869 -4.963 331 HB2 CYS 628 2HB CYS 628 3.414 -3.437 -7.077 332 HB3 CYS 628 1HB CYS 628 5.158 -3.405 -6.863 333 H GLY 629 H GLY 629 6.104 -0.630 -6.237 334 HA2 GLY 629 2HA GLY 629 6.769 0.446 -8.220 335 HA3 GLY 629 1HA GLY 629 5.147 0.203 -8.855 336 HA PRO 630 HA PRO 630 5.238 4.548 -7.512 337 HB2 PRO 630 2HB PRO 630 4.599 5.716 -9.810 338 HB3 PRO 630 1HB PRO 630 6.235 5.158 -9.514 339 HG2 PRO 630 2HG PRO 630 4.094 3.908 -11.171 340 HG3 PRO 630 1HG PRO 630 5.842 3.966 -11.453 341 HD2 PRO 630 2HD PRO 630 4.430 1.802 -10.373 342 HD3 PRO 630 1HD PRO 630 6.181 2.041 -10.288 343 H VAL 631 H VAL 631 3.488 6.189 -7.718 344 HA VAL 631 HA VAL 631 0.839 4.928 -7.838 345 HB VAL 631 HB VAL 631 0.064 6.822 -6.397 346 HG13 VAL 631 1HG VAL 631 0.622 4.719 -5.384 347 HG21 VAL 631 2HG VAL 631 3.007 7.458 -6.153 348 H SER 632 H SER 632 -0.770 5.917 -9.030 349 HA SER 632 HA SER 632 0.157 8.080 -10.773 350 HB2 SER 632 2HB SER 632 -2.400 6.464 -10.808 351 HB3 SER 632 1HB SER 632 -2.015 7.727 -11.978 352 HG SER 632 HG SER 632 -1.315 5.185 -12.040 353 H VAL 633 H VAL 633 -0.321 10.158 -10.458 354 HA VAL 633 HA VAL 633 -2.596 11.016 -8.862 355 HB VAL 633 HB VAL 633 0.149 11.964 -8.102 356 HG13 VAL 633 1HG VAL 633 -1.730 13.413 -7.499 357 HG21 VAL 633 2HG VAL 633 0.160 9.609 -7.547 358 H GLY 634 H GLY 634 -3.124 13.129 -9.452 359 HA2 GLY 634 2HA GLY 634 -1.839 14.178 -11.806 360 HA3 GLY 634 1HA GLY 634 -3.189 14.894 -10.944 361 H ALA 635 H ALA 635 -1.208 14.524 -8.535 362 HA ALA 635 HA ALA 635 0.161 17.104 -8.985 363 HB1 ALA 635 1HB ALA 635 -0.349 17.717 -6.689 364 HB2 ALA 635 2HB ALA 635 -1.177 16.180 -6.455 365 HB3 ALA 635 3HB ALA 635 -1.823 17.357 -7.596 366 H CYS 636 H CYS 636 1.041 14.072 -8.841 367 HA CYS 636 HA CYS 636 3.318 14.596 -7.069 368 HB2 CYS 636 2HB CYS 636 1.728 12.014 -7.063 369 HB3 CYS 636 1HB CYS 636 3.230 12.273 -6.224 370 HA PRO 637 HA PRO 637 5.862 12.954 -10.311 371 HB2 PRO 637 2HB PRO 637 7.732 11.571 -8.846 372 HB3 PRO 637 1HB PRO 637 7.739 13.328 -9.021 373 HG2 PRO 637 2HG PRO 637 6.664 11.657 -6.781 374 HG3 PRO 637 1HG PRO 637 7.647 13.128 -6.698 375 HD2 PRO 637 2HD PRO 637 5.033 13.238 -6.298 376 HD3 PRO 637 1HD PRO 637 5.873 14.501 -7.221 377 HA PRO 638 HA PRO 638 4.026 8.897 -10.736 378 HB2 PRO 638 2HB PRO 638 4.661 8.462 -13.294 379 HB3 PRO 638 1HB PRO 638 3.485 9.701 -12.839 380 HG2 PRO 638 2HG PRO 638 6.374 10.006 -13.557 381 HG3 PRO 638 1HG PRO 638 4.989 10.980 -14.079 382 HD2 PRO 638 2HD PRO 638 6.685 11.722 -12.065 383 HD3 PRO 638 1HD PRO 638 4.985 12.225 -12.158 384 H ASP 639 H ASP 639 7.056 9.331 -9.988 385 HA ASP 639 HA ASP 639 7.947 6.608 -10.732 386 HB2 ASP 639 2HB ASP 639 10.215 7.353 -10.657 387 HB3 ASP 639 1HB ASP 639 9.342 8.561 -11.593 388 H SER 640 H SER 640 6.658 8.379 -8.331 389 HA SER 640 HA SER 640 8.205 7.083 -6.228 390 HB2 SER 640 2HB SER 640 6.367 9.481 -6.114 391 HB3 SER 640 1HB SER 640 7.316 8.839 -4.769 392 HG SER 640 HG SER 640 8.658 9.480 -7.154 393 H GLY 641 H GLY 641 7.021 5.946 -4.589 394 HA2 GLY 641 2HA GLY 641 4.446 4.982 -5.614 395 HA3 GLY 641 1HA GLY 641 5.537 4.048 -4.618 396 H ALA 642 H ALA 642 5.490 7.077 -3.314 397 HA ALA 642 HA ALA 642 2.950 6.769 -2.000 398 HB1 ALA 642 1HB ALA 642 3.939 6.995 0.248 399 HB2 ALA 642 2HB ALA 642 5.549 6.924 -0.464 400 HB3 ALA 642 3HB ALA 642 4.478 5.524 -0.564 401 H CYS 643 H CYS 643 2.057 8.812 -1.936 402 HA CYS 643 HA CYS 643 3.784 11.128 -1.549 403 HB2 CYS 643 2HB CYS 643 3.727 10.922 -3.971 404 HB3 CYS 643 1HB CYS 643 1.969 10.852 -3.948 405 H GLN 644 H GLN 644 2.884 12.789 -0.454 406 HA GLN 644 HA GLN 644 0.017 12.585 0.123 407 HB2 GLN 644 2HB GLN 644 0.442 13.600 2.319 408 HB3 GLN 644 1HB GLN 644 1.225 12.046 2.183 409 HG2 GLN 644 2HG GLN 644 3.380 13.177 1.830 410 HG3 GLN 644 1HG GLN 644 2.551 14.725 1.849 411 HE21 GLN 644 2HE GLN 644 4.102 13.805 5.204 412 H VAL 645 H VAL 645 -1.124 14.361 -0.095 413 HA VAL 645 HA VAL 645 0.313 16.858 -0.626 414 HB VAL 645 HB VAL 645 -2.360 16.034 -1.812 415 HG13 VAL 645 1HG VAL 645 -2.176 18.423 -1.496 416 HG21 VAL 645 2HG VAL 645 0.339 16.192 -3.161 417 H SER 646 H SER 646 -0.110 18.340 0.849 418 HA SER 646 HA SER 646 -2.015 17.876 2.892 419 HB2 SER 646 2HB SER 646 0.029 19.100 3.383 420 HB3 SER 646 1HB SER 646 -0.398 20.339 2.207 421 HG SER 646 HG SER 646 -1.239 19.983 4.794 422 H ARG 647 H ARG 647 -3.931 18.759 3.197 423 HA ARG 647 HA ARG 647 -5.148 20.008 0.855 424 HB2 ARG 647 2HB ARG 647 -6.460 18.841 3.326 425 HB3 ARG 647 1HB ARG 647 -7.287 19.386 1.869 426 HG2 ARG 647 2HG ARG 647 -6.203 17.648 0.566 427 HG3 ARG 647 1HG ARG 647 -5.304 17.120 1.984 428 HD2 ARG 647 2HD ARG 647 -7.148 15.631 1.660 429 HD3 ARG 647 1HD ARG 647 -7.470 16.605 3.088 430 HE ARG 647 HE ARG 647 -8.619 17.748 0.762 431 HH12 ARG 647 1HH ARG 647 -10.813 15.127 2.931 432 HH21 ARG 647 2HH ARG 647 -11.817 16.366 1.254 433 H SER 648 H SER 648 -4.483 20.499 4.271 434 HA SER 648 HA SER 648 -5.869 22.996 4.360 435 HB2 SER 648 2HB SER 648 -3.959 21.732 6.327 436 HB3 SER 648 1HB SER 648 -5.041 23.089 6.647 437 HG SER 648 HG SER 648 -6.764 21.785 6.474 438 H ASP 649 H ASP 649 -2.466 21.944 4.101 439 HA ASP 649 HA ASP 649 -1.640 24.769 4.084 440 HB2 ASP 649 2HB ASP 649 -0.646 23.232 5.754 441 HB3 ASP 649 1HB ASP 649 0.011 22.258 4.448 442 H ARG 650 H ARG 650 -2.219 22.204 2.066 443 HA ARG 650 HA ARG 650 -2.035 21.778 -0.154 444 HB2 ARG 650 2HB ARG 650 -1.534 24.737 -0.242 445 HB3 ARG 650 1HB ARG 650 -1.724 23.753 -1.684 446 HG2 ARG 650 2HG ARG 650 -3.759 24.042 0.503 447 HG3 ARG 650 1HG ARG 650 -3.780 24.927 -1.029 448 HD2 ARG 650 2HD ARG 650 -3.954 22.787 -2.238 449 HD3 ARG 650 1HD ARG 650 -3.944 21.921 -0.704 450 HE ARG 650 HE ARG 650 -6.000 23.818 -0.683 451 HH12 ARG 650 1HH ARG 650 -6.797 20.231 -2.445 452 HH21 ARG 650 2HH ARG 650 -8.571 21.609 -1.627 453 H LYS 651 H LYS 651 0.580 21.741 1.451 454 HA LYS 651 HA LYS 651 2.356 21.904 -0.798 455 HB2 LYS 651 2HB LYS 651 2.816 21.256 2.058 456 HB3 LYS 651 1HB LYS 651 4.077 21.166 0.819 457 HG2 LYS 651 2HG LYS 651 3.673 23.424 0.216 458 HG3 LYS 651 1HG LYS 651 2.404 23.522 1.435 459 HD2 LYS 651 2HD LYS 651 4.053 23.040 3.143 460 HD3 LYS 651 1HD LYS 651 5.303 22.979 1.893 461 HE2 LYS 651 2HE LYS 651 5.263 25.092 2.950 462 HE3 LYS 651 1HE LYS 651 4.796 25.206 1.246 463 HZ1 LYS 651 3HZ LYS 651 2.583 25.496 1.780 464 HZ2 LYS 651 1HZ LYS 651 3.365 26.555 2.814 465 HZ3 LYS 651 2HZ LYS 651 2.747 25.053 3.381 466 H SER 652 H SER 652 3.524 20.106 -1.505 467 HA SER 652 HA SER 652 2.287 17.538 -0.835 468 HB2 SER 652 2HB SER 652 2.937 16.825 -3.174 469 HB3 SER 652 1HB SER 652 1.678 18.057 -3.088 470 HG SER 652 HG SER 652 2.981 19.499 -3.880 471 H TRP 653 H TRP 653 3.555 15.777 -0.517 472 HA TRP 653 HA TRP 653 6.509 16.026 -0.616 473 HB2 TRP 653 2HB TRP 653 5.000 15.037 1.811 474 HB3 TRP 653 1HB TRP 653 6.723 15.081 1.572 475 HD1 TRP 653 HD TRP 653 7.940 17.453 1.861 476 HE1 TRP 653 1HE TRP 653 7.252 19.533 3.194 477 HE3 TRP 653 3HE TRP 653 2.984 16.440 2.434 478 HZ2 TRP 653 2HZ TRP 653 4.897 20.617 4.329 479 HZ3 TRP 653 3HZ TRP 653 1.592 18.006 3.633 480 HH2 TRP 653 HH TRP 653 2.514 20.077 4.577 481 H ASN 654 H ASN 654 7.560 14.255 -0.633 482 HA ASN 654 HA ASN 654 6.109 12.025 -1.779 483 HB2 ASN 654 2HB ASN 654 8.052 13.264 -2.824 484 HB3 ASN 654 1HB ASN 654 9.043 12.602 -1.543 485 HD21 ASN 654 2HD ASN 654 9.048 10.720 -4.758 486 H LEU 655 H LEU 655 6.088 10.060 -0.644 487 HA LEU 655 HA LEU 655 7.563 10.094 1.899 488 HB2 LEU 655 2HB LEU 655 5.140 8.395 1.364 489 HB3 LEU 655 1HB LEU 655 6.010 8.582 2.861 490 HG LEU 655 HG LEU 655 5.185 11.067 2.656 491 HD13 LEU 655 1HD LEU 655 3.241 9.619 0.988 492 HD21 LEU 655 2HD LEU 655 4.602 9.550 4.454 493 H GLY 656 H GLY 656 7.822 8.941 -1.087 494 HA2 GLY 656 2HA GLY 656 9.791 7.269 -0.538 495 HA3 GLY 656 1HA GLY 656 8.398 6.238 -0.364 496 H ARG 657 H ARG 657 10.686 6.651 -2.163 497 HA ARG 657 HA ARG 657 9.767 7.143 -4.797 498 HB2 ARG 657 2HB ARG 657 12.044 7.449 -3.942 499 HB3 ARG 657 1HB ARG 657 12.176 5.736 -3.660 500 HG2 ARG 657 2HG ARG 657 12.164 5.315 -6.006 501 HG3 ARG 657 1HG ARG 657 11.933 7.058 -6.355 502 HD2 ARG 657 2HD ARG 657 13.936 7.488 -5.013 503 HD3 ARG 657 1HD ARG 657 14.203 5.756 -4.894 504 HE ARG 657 HE ARG 657 14.205 6.102 -7.521 505 HH12 ARG 657 1HH ARG 657 17.019 8.509 -5.788 506 HH21 ARG 657 2HH ARG 657 17.257 7.832 -8.068 507 H SER 658 H SER 658 9.400 5.409 -6.401 508 HA SER 658 HA SER 658 7.739 3.414 -5.506 509 HB2 SER 658 2HB SER 658 7.948 2.477 -7.784 510 HB3 SER 658 1HB SER 658 7.544 4.185 -7.699 511 HG SER 658 HG SER 658 9.436 4.701 -8.540 512 H ASN 659 H ASN 659 7.835 1.324 -5.086 513 HA ASN 659 HA ASN 659 9.985 -0.366 -5.671 514 HB2 ASN 659 2HB ASN 659 10.823 -0.862 -3.397 515 HB3 ASN 659 1HB ASN 659 11.175 0.789 -3.852 516 HD21 ASN 659 2HD ASN 659 8.197 0.533 -1.059 517 H ALA 660 H ALA 660 9.667 -2.493 -4.327 518 HA ALA 660 HA ALA 660 6.795 -2.854 -3.850 519 HB1 ALA 660 1HB ALA 660 8.654 -4.705 -5.346 520 HB2 ALA 660 2HB ALA 660 7.383 -3.720 -6.073 521 HB3 ALA 660 3HB ALA 660 6.965 -5.029 -4.967 522 H LYS 661 H LYS 661 8.740 -2.283 -1.879 523 HA LYS 661 HA LYS 661 9.900 -4.599 -0.849 524 HB2 LYS 661 2HB LYS 661 10.671 -2.220 -0.515 525 HB3 LYS 661 1HB LYS 661 9.328 -2.011 0.596 526 HG2 LYS 661 2HG LYS 661 11.312 -2.460 1.857 527 HG3 LYS 661 1HG LYS 661 10.256 -3.878 1.960 528 HD2 LYS 661 2HD LYS 661 11.489 -4.898 0.110 529 HD3 LYS 661 1HD LYS 661 12.557 -3.515 0.076 530 HE2 LYS 661 2HE LYS 661 13.279 -4.050 2.386 531 HE3 LYS 661 1HE LYS 661 12.219 -5.458 2.364 532 HZ1 LYS 661 3HZ LYS 661 14.554 -5.001 0.583 533 HZ2 LYS 661 1HZ LYS 661 13.478 -6.294 0.443 534 HZ3 LYS 661 2HZ LYS 661 14.450 -6.156 1.806 535 H LEU 662 H LEU 662 8.503 -6.178 -0.306 536 HA LEU 662 HA LEU 662 6.417 -5.572 1.655 537 HB2 LEU 662 2HB LEU 662 6.706 -7.871 -0.273 538 HB3 LEU 662 1HB LEU 662 5.715 -8.014 1.158 539 HG LEU 662 HG LEU 662 4.364 -7.586 -0.800 540 HD13 LEU 662 1HD LEU 662 3.568 -6.796 1.278 541 HD21 LEU 662 2HD LEU 662 5.937 -6.365 -2.160 542 H SER 663 H SER 663 6.578 -6.282 3.625 543 HA SER 663 HA SER 663 8.534 -8.329 4.255 544 HB2 SER 663 2HB SER 663 8.192 -5.679 5.673 545 HB3 SER 663 1HB SER 663 9.266 -6.990 6.172 546 HG SER 663 HG SER 663 9.538 -6.236 3.566 547 H TYR 664 H TYR 664 8.113 -9.013 6.644 548 HA TYR 664 HA TYR 664 5.213 -8.984 7.122 549 HB2 TYR 664 2HB TYR 664 6.283 -11.065 5.970 550 HB3 TYR 664 1HB TYR 664 6.940 -11.371 7.555 551 HD1 TYR 664 2HD TYR 664 3.710 -10.705 5.864 552 HD2 TYR 664 1HD TYR 664 5.707 -12.644 9.073 553 HE1 TYR 664 2HE TYR 664 1.662 -11.870 6.400 554 HE2 TYR 664 1HE TYR 664 3.724 -13.859 9.616 555 HH TYR 664 HH TYR 664 0.942 -13.908 7.559 556 H TYR 665 H TYR 665 4.744 -8.569 9.135 557 HA TYR 665 HA TYR 665 6.837 -8.389 11.181 558 HB2 TYR 665 2HB TYR 665 5.249 -6.489 10.605 559 HB3 TYR 665 1HB TYR 665 3.931 -7.494 11.165 560 HD1 TYR 665 1HD TYR 665 7.249 -6.313 12.432 561 HD2 TYR 665 2HD TYR 665 3.140 -6.971 13.247 562 HE1 TYR 665 1HE TYR 665 7.544 -5.355 14.685 563 HE2 TYR 665 2HE TYR 665 3.408 -6.022 15.471 564 HH TYR 665 HH TYR 665 5.138 -5.650 17.076 565 H ASP 666 H ASP 666 4.910 -8.846 13.374 566 HA ASP 666 HA ASP 666 4.885 -11.681 13.283 567 HB2 ASP 666 2HB ASP 666 3.602 -9.871 15.354 568 HB3 ASP 666 1HB ASP 666 3.790 -11.609 15.505 569 H GLY 667 H GLY 667 3.681 -12.086 11.490 570 HA2 GLY 667 2HA GLY 667 1.849 -12.963 10.487 571 HA3 GLY 667 1HA GLY 667 0.982 -12.793 11.987 572 H MET 668 H MET 668 2.464 -10.169 10.243 573 HA MET 668 HA MET 668 -0.001 -9.399 8.914 574 HB2 MET 668 2HB MET 668 1.442 -7.562 10.855 575 HB3 MET 668 1HB MET 668 0.273 -6.996 9.680 576 HG2 MET 668 2HG MET 668 -1.468 -8.342 10.794 577 HG3 MET 668 1HG MET 668 -0.274 -8.878 11.976 578 HE1 MET 668 3HE MET 668 0.597 -5.519 13.821 579 HE2 MET 668 1HE MET 668 1.407 -6.172 12.399 580 HE3 MET 668 2HE MET 668 0.910 -7.249 13.704 581 H ILE 669 H ILE 669 0.451 -8.508 6.966 582 HA ILE 669 HA ILE 669 3.219 -8.463 6.176 583 HB ILE 669 HB ILE 669 0.822 -7.569 4.557 584 HG12 ILE 669 1HG ILE 669 1.255 -9.606 3.215 585 HG23 ILE 669 2HG ILE 669 2.273 -7.820 2.590 586 HD11 ILE 669 1HD ILE 669 0.156 -10.161 5.961 587 H GLN 670 H GLN 670 4.462 -6.689 5.741 588 HA GLN 670 HA GLN 670 3.191 -4.092 6.161 589 HB2 GLN 670 2HB GLN 670 6.018 -4.789 6.958 590 HB3 GLN 670 1HB GLN 670 5.224 -3.234 7.168 591 HG2 GLN 670 2HG GLN 670 3.582 -4.362 8.653 592 HG3 GLN 670 1HG GLN 670 4.571 -5.812 8.528 593 HE21 GLN 670 2HE GLN 670 5.612 -2.749 10.932 594 H LEU 671 H LEU 671 3.501 -2.738 4.679 595 HA LEU 671 HA LEU 671 5.370 -3.297 2.431 596 HB2 LEU 671 2HB LEU 671 3.085 -3.250 1.664 597 HB3 LEU 671 1HB LEU 671 2.766 -1.756 2.529 598 HG LEU 671 HG LEU 671 4.255 -0.585 0.900 599 HD13 LEU 671 1HD LEU 671 4.261 -3.228 -0.527 600 HD21 LEU 671 2HD LEU 671 2.679 -0.671 -0.956 601 H THR 672 H THR 672 6.935 -1.782 2.065 602 HA THR 672 HA THR 672 6.686 0.664 3.651 603 HB THR 672 HB THR 672 9.209 -0.999 3.452 604 HG1 THR 672 1HG THR 672 7.086 -1.309 4.932 605 HG21 THR 672 2HG THR 672 10.081 0.576 5.130 606 H TYR 673 H TYR 673 6.984 2.377 2.574 607 HA TYR 673 HA TYR 673 8.601 2.327 0.129 608 HB2 TYR 673 2HB TYR 673 6.346 4.133 0.941 609 HB3 TYR 673 1HB TYR 673 7.523 4.633 -0.270 610 HD1 TYR 673 1HD TYR 673 7.743 3.527 -2.333 611 HD2 TYR 673 2HD TYR 673 4.770 2.376 0.454 612 HE1 TYR 673 1HE TYR 673 6.640 2.264 -4.075 613 HE2 TYR 673 2HE TYR 673 3.630 1.109 -1.282 614 HH TYR 673 HH TYR 673 3.515 0.944 -3.635 615 H ARG 674 H ARG 674 10.418 3.413 0.020 616 HA ARG 674 HA ARG 674 11.105 5.183 2.270 617 HB2 ARG 674 2HB ARG 674 12.836 3.095 0.957 618 HB3 ARG 674 1HB ARG 674 13.410 4.278 2.109 619 HG2 ARG 674 2HG ARG 674 11.976 3.322 3.827 620 HG3 ARG 674 1HG ARG 674 11.351 2.156 2.653 621 HD2 ARG 674 2HD ARG 674 13.105 1.183 4.083 622 HD3 ARG 674 1HD ARG 674 13.561 1.203 2.378 623 HE ARG 674 HE ARG 674 14.504 3.539 3.610 624 HH12 ARG 674 1HH ARG 674 16.826 0.256 3.963 625 HH21 ARG 674 2HH ARG 674 17.734 2.388 4.274 626 H ASP 675 H ASP 675 13.257 6.329 1.695 627 HA ASP 675 HA ASP 675 14.507 7.757 0.460 628 HB2 ASP 675 2HB ASP 675 14.516 5.781 -1.340 629 HB3 ASP 675 1HB ASP 675 13.265 6.715 -2.096 630 H GLY 676 H GLY 676 11.651 8.205 1.292 631 HA2 GLY 676 2HA GLY 676 10.445 10.011 -0.534 632 HA3 GLY 676 1HA GLY 676 10.085 9.825 1.178 633 H THR 677 H THR 677 9.788 12.215 0.874 634 HA THR 677 HA THR 677 12.152 13.834 0.644 635 HB THR 677 HB THR 677 9.333 14.612 1.499 636 HG1 THR 677 1HG THR 677 10.571 14.728 -1.045 637 HG21 THR 677 2HG THR 677 9.979 16.871 0.782 638 HA PRO 678 HA PRO 678 12.840 13.599 5.134 639 HB2 PRO 678 2HB PRO 678 14.890 15.634 4.750 640 HB3 PRO 678 1HB PRO 678 15.085 13.951 5.240 641 HG2 PRO 678 2HG PRO 678 15.917 14.893 2.832 642 HG3 PRO 678 1HG PRO 678 15.392 13.219 3.087 643 HD2 PRO 678 2HD PRO 678 13.902 15.519 1.885 644 HD3 PRO 678 1HD PRO 678 13.950 13.804 1.400 645 H TYR 679 H TYR 679 12.411 14.863 6.825 646 HA TYR 679 HA TYR 679 11.170 17.448 6.288 647 HB2 TYR 679 2HB TYR 679 10.437 16.671 8.875 648 HB3 TYR 679 1HB TYR 679 9.458 16.579 7.408 649 HD1 TYR 679 2HD TYR 679 11.961 14.576 9.382 650 HD2 TYR 679 1HD TYR 679 8.717 14.601 6.677 651 HE1 TYR 679 2HE TYR 679 11.882 12.130 9.489 652 HE2 TYR 679 1HE TYR 679 8.562 12.207 6.741 653 HH TYR 679 HH TYR 679 10.282 10.329 9.102 654 H ASN 680 H ASN 680 11.186 18.619 8.711 655 HA ASN 680 HA ASN 680 13.861 19.454 9.023 656 HB2 ASN 680 2HB ASN 680 11.409 20.034 10.680 657 HB3 ASN 680 1HB ASN 680 12.999 20.647 11.118 658 HD21 ASN 680 2HD ASN 680 10.897 22.318 8.089 659 H ASN 681 H ASN 681 15.327 18.182 9.655 660 HA ASN 681 HA ASN 681 15.528 17.224 12.314 661 HB2 ASN 681 2HB ASN 681 14.136 15.391 11.370 662 HB3 ASN 681 1HB ASN 681 15.235 15.221 10.022 663 HD21 ASN 681 2HD ASN 681 15.752 12.634 12.741 664 H GLU 682 H GLU 682 17.681 17.279 12.741 665 HA GLU 682 HA GLU 682 19.405 18.403 10.835 666 HB2 GLU 682 2HB GLU 682 19.650 18.844 13.211 667 HB3 GLU 682 1HB GLU 682 20.047 17.158 13.504 668 HG2 GLU 682 2HG GLU 682 22.097 17.370 12.301 669 HG3 GLU 682 1HG GLU 682 21.688 19.010 11.802 670 H LYS 683 H LYS 683 19.102 15.086 11.987 671 HA LYS 683 HA LYS 683 21.306 14.222 10.338 672 HB2 LYS 683 2HB LYS 683 20.913 13.034 12.417 673 HB3 LYS 683 1HB LYS 683 19.264 12.660 11.949 674 HG2 LYS 683 2HG LYS 683 20.779 10.723 11.788 675 HG3 LYS 683 1HG LYS 683 20.057 11.145 10.239 676 HD2 LYS 683 2HD LYS 683 22.424 10.580 9.994 677 HD3 LYS 683 1HD LYS 683 22.134 12.262 9.570 678 HE2 LYS 683 2HE LYS 683 22.971 12.936 11.789 679 HE3 LYS 683 1HE LYS 683 23.265 11.237 12.176 680 HZ1 LYS 683 3HZ LYS 683 25.274 12.331 11.438 681 HZ2 LYS 683 1HZ LYS 683 24.547 12.759 9.973 682 HZ3 LYS 683 2HZ LYS 683 24.818 11.135 10.335 683 H ARG 684 H ARG 684 18.019 14.718 10.058 684 HA ARG 684 HA ARG 684 16.405 14.353 8.574 685 HB2 ARG 684 2HB ARG 684 16.838 15.013 6.258 686 HB3 ARG 684 1HB ARG 684 17.539 16.121 7.422 687 HG2 ARG 684 2HG ARG 684 19.714 15.132 7.051 688 HG3 ARG 684 1HG ARG 684 18.976 13.990 5.923 689 HD2 ARG 684 2HD ARG 684 18.325 15.752 4.456 690 HD3 ARG 684 1HD ARG 684 18.864 16.975 5.606 691 HE ARG 684 HE ARG 684 20.913 15.163 4.743 692 HH12 ARG 684 1HH ARG 684 20.532 18.874 3.163 693 HH21 ARG 684 2HH ARG 684 22.532 17.621 2.839 694 H THR 685 H THR 685 15.490 12.636 8.533 695 HA THR 685 HA THR 685 16.578 10.498 6.909 696 HB THR 685 HB THR 685 16.162 9.765 9.209 697 HG1 THR 685 1HG THR 685 13.985 8.544 8.055 698 HG21 THR 685 2HG THR 685 13.295 10.618 8.760 699 HA PRO 686 HA PRO 686 13.486 11.590 3.946 700 HB2 PRO 686 2HB PRO 686 13.475 9.225 2.559 701 HB3 PRO 686 1HB PRO 686 14.650 10.522 2.319 702 HG2 PRO 686 2HG PRO 686 14.912 7.972 3.840 703 HG3 PRO 686 1HG PRO 686 16.121 8.822 2.862 704 HD2 PRO 686 2HD PRO 686 16.069 8.890 5.578 705 HD3 PRO 686 1HD PRO 686 16.698 10.224 4.589 706 H ARG 687 H ARG 687 11.353 11.500 4.043 707 HA ARG 687 HA ARG 687 9.920 10.144 5.926 708 HB2 ARG 687 2HB ARG 687 9.228 12.169 4.763 709 HB3 ARG 687 1HB ARG 687 9.059 11.264 3.281 710 HG2 ARG 687 2HG ARG 687 7.244 10.027 4.173 711 HG3 ARG 687 1HG ARG 687 7.447 10.791 5.752 712 HD2 ARG 687 2HD ARG 687 6.857 12.311 3.206 713 HD3 ARG 687 1HD ARG 687 5.637 11.781 4.367 714 HE ARG 687 HE ARG 687 6.500 13.243 5.955 715 HH12 ARG 687 1HH ARG 687 8.392 15.386 3.109 716 HH21 ARG 687 2HH ARG 687 7.770 16.421 5.070 717 H ALA 688 H ALA 688 8.575 8.360 5.891 718 HA ALA 688 HA ALA 688 8.822 6.528 3.632 719 HB1 ALA 688 1HB ALA 688 10.533 5.927 5.270 720 HB2 ALA 688 2HB ALA 688 9.286 4.683 5.150 721 HB3 ALA 688 3HB ALA 688 9.294 5.796 6.519 722 H THR 689 H THR 689 7.181 5.032 3.500 723 HA THR 689 HA THR 689 4.784 5.508 5.162 724 HB THR 689 HB THR 689 4.951 4.745 2.237 725 HG1 THR 689 1HG THR 689 5.243 6.957 3.193 726 HG21 THR 689 2HG THR 689 2.510 4.930 2.225 727 H LEU 690 H LEU 690 4.232 3.682 6.343 728 HA LEU 690 HA LEU 690 4.928 1.244 5.061 729 HB2 LEU 690 2HB LEU 690 6.463 1.625 6.897 730 HB3 LEU 690 1HB LEU 690 5.141 1.915 7.999 731 HG LEU 690 HG LEU 690 5.426 -0.715 6.635 732 HD13 LEU 690 1HD LEU 690 7.572 -0.254 7.746 733 HD21 LEU 690 2HD LEU 690 4.260 0.089 9.296 734 H ILE 691 H ILE 691 3.286 -0.049 4.774 735 HA ILE 691 HA ILE 691 0.679 0.587 5.983 736 HB ILE 691 HB ILE 691 1.291 -1.245 3.631 737 HG12 ILE 691 1HG ILE 691 0.099 0.327 2.227 738 HG23 ILE 691 2HG ILE 691 -0.626 -1.978 4.843 739 HD11 ILE 691 1HD ILE 691 2.442 1.651 3.521 740 H THR 692 H THR 692 -0.259 -0.869 7.348 741 HA THR 692 HA THR 692 1.136 -3.412 7.730 742 HB THR 692 HB THR 692 -0.731 -1.943 9.628 743 HG1 THR 692 1HG THR 692 1.500 -1.154 8.931 744 HG21 THR 692 2HG THR 692 1.199 -4.241 10.065 745 H PHE 693 H PHE 693 0.041 -5.067 6.806 746 HA PHE 693 HA PHE 693 -2.735 -4.720 6.004 747 HB2 PHE 693 2HB PHE 693 -0.752 -6.908 5.392 748 HB3 PHE 693 1HB PHE 693 -2.390 -6.870 4.778 749 HD1 PHE 693 1HD PHE 693 0.817 -5.039 4.729 750 HD2 PHE 693 2HD PHE 693 -2.905 -5.690 2.806 751 HE1 PHE 693 1HE PHE 693 1.567 -3.672 2.806 752 HE2 PHE 693 2HE PHE 693 -2.153 -4.343 0.885 753 HZ PHE 693 HZ PHE 693 0.080 -3.341 0.887 754 H LEU 694 H LEU 694 -4.257 -5.278 7.304 755 HA LEU 694 HA LEU 694 -3.935 -7.665 8.938 756 HB2 LEU 694 2HB LEU 694 -5.809 -5.325 9.368 757 HB3 LEU 694 1HB LEU 694 -5.877 -6.810 10.283 758 HG LEU 694 HG LEU 694 -3.492 -6.266 11.030 759 HD13 LEU 694 1HD LEU 694 -2.852 -3.923 11.036 760 HD21 LEU 694 2HD LEU 694 -5.760 -4.492 11.904 761 H CYS 695 H CYS 695 -5.938 -8.961 9.113 762 HA CYS 695 HA CYS 695 -7.328 -8.898 6.530 763 HB2 CYS 695 2HB CYS 695 -5.800 -10.851 7.036 764 HB3 CYS 695 1HB CYS 695 -6.859 -11.230 8.371 765 H ASP 696 H ASP 696 -7.939 -7.582 9.180 766 HA ASP 696 HA ASP 696 -10.172 -9.026 10.255 767 HB2 ASP 696 2HB ASP 696 -8.877 -7.508 11.692 768 HB3 ASP 696 1HB ASP 696 -9.386 -6.143 10.702 769 H ARG 697 H ARG 697 -11.939 -9.285 9.248 770 HA ARG 697 HA ARG 697 -13.866 -8.961 8.170 771 HB2 ARG 697 2HB ARG 697 -13.226 -6.068 8.674 772 HB3 ARG 697 1HB ARG 697 -14.726 -6.584 7.905 773 HG2 ARG 697 2HG ARG 697 -15.406 -7.743 9.879 774 HG3 ARG 697 1HG ARG 697 -13.823 -7.514 10.623 775 HD2 ARG 697 2HD ARG 697 -15.676 -5.277 9.836 776 HD3 ARG 697 1HD ARG 697 -15.576 -5.950 11.465 777 HE ARG 697 HE ARG 697 -13.081 -5.355 11.181 778 HH12 ARG 697 1HH ARG 697 -14.968 -1.915 10.175 779 HH21 ARG 697 2HH ARG 697 -12.760 -1.868 11.076 780 H ASP 698 H ASP 698 -14.695 -8.726 6.107 781 HA ASP 698 HA ASP 698 -12.607 -8.684 4.134 782 HB2 ASP 698 2HB ASP 698 -15.529 -9.362 3.952 783 HB3 ASP 698 1HB ASP 698 -14.482 -9.298 2.538 784 H ALA 699 H ALA 699 -11.953 -6.937 3.318 785 HA ALA 699 HA ALA 699 -13.890 -4.883 2.474 786 HB1 ALA 699 1HB ALA 699 -11.014 -4.551 3.359 787 HB2 ALA 699 2HB ALA 699 -12.444 -4.069 4.269 788 HB3 ALA 699 3HB ALA 699 -12.046 -3.255 2.759 789 H GLY 700 H GLY 700 -12.707 -7.343 1.231 790 HA2 GLY 700 2HA GLY 700 -12.093 -7.980 -0.905 791 HA3 GLY 700 1HA GLY 700 -12.164 -6.278 -1.362 792 H VAL 701 H VAL 701 -10.262 -5.843 -2.340 793 HA VAL 701 HA VAL 701 -7.803 -6.950 -1.630 794 HB VAL 701 HB VAL 701 -6.834 -5.063 -2.913 795 HG13 VAL 701 1HG VAL 701 -9.059 -6.622 -4.264 796 HG21 VAL 701 2HG VAL 701 -8.360 -3.645 -4.260 797 H GLY 702 H GLY 702 -9.543 -4.326 -0.423 798 HA2 GLY 702 2HA GLY 702 -9.167 -3.615 1.835 799 HA3 GLY 702 1HA GLY 702 -7.461 -3.948 1.599 800 H PHE 703 H PHE 703 -8.849 -1.602 2.550 801 HA PHE 703 HA PHE 703 -7.798 0.308 0.601 802 HB2 PHE 703 2HB PHE 703 -10.250 0.478 0.902 803 HB3 PHE 703 1HB PHE 703 -10.016 0.672 2.631 804 HD1 PHE 703 2HD PHE 703 -9.236 2.228 -0.632 805 HD2 PHE 703 1HD PHE 703 -9.735 2.775 3.544 806 HE1 PHE 703 2HE PHE 703 -9.076 4.655 -0.942 807 HE2 PHE 703 1HE PHE 703 -9.575 5.203 3.252 808 HZ PHE 703 HZ PHE 703 -9.240 6.145 0.993 809 HA PRO 704 HA PRO 704 -5.043 1.194 4.037 810 HB2 PRO 704 2HB PRO 704 -3.711 3.285 2.946 811 HB3 PRO 704 1HB PRO 704 -3.399 1.613 2.480 812 HG2 PRO 704 2HG PRO 704 -4.895 3.731 1.030 813 HG3 PRO 704 1HG PRO 704 -3.946 2.383 0.390 814 HD2 PRO 704 2HD PRO 704 -6.735 2.481 0.572 815 HD3 PRO 704 1HD PRO 704 -5.756 1.022 0.321 816 H GLU 705 H GLU 705 -5.276 2.425 5.799 817 HA GLU 705 HA GLU 705 -6.505 5.055 5.555 818 HB2 GLU 705 2HB GLU 705 -7.249 2.797 7.330 819 HB3 GLU 705 1HB GLU 705 -7.518 4.446 7.900 820 HG2 GLU 705 2HG GLU 705 -8.542 3.442 5.251 821 HG3 GLU 705 1HG GLU 705 -9.504 3.353 6.744 822 H TYR 706 H TYR 706 -5.650 6.610 6.651 823 HA TYR 706 HA TYR 706 -2.992 6.250 7.683 824 HB2 TYR 706 2HB TYR 706 -3.770 8.124 6.235 825 HB3 TYR 706 1HB TYR 706 -4.767 8.686 7.557 826 HD1 TYR 706 1HD TYR 706 -1.209 7.605 7.246 827 HD2 TYR 706 2HD TYR 706 -3.926 10.644 8.439 828 HE1 TYR 706 1HE TYR 706 0.668 9.023 7.912 829 HE2 TYR 706 2HE TYR 706 -2.052 12.067 9.113 830 HH TYR 706 HH TYR 706 0.305 11.894 9.717 831 H GLN 707 H GLN 707 -2.404 6.100 9.851 832 HA GLN 707 HA GLN 707 -4.614 6.129 11.714 833 HB2 GLN 707 2HB GLN 707 -1.737 5.331 12.234 834 HB3 GLN 707 1HB GLN 707 -3.043 5.210 13.401 835 HG2 GLN 707 2HG GLN 707 -4.140 3.710 11.520 836 HG3 GLN 707 1HG GLN 707 -2.452 3.595 10.995 837 HE21 GLN 707 2HE GLN 707 -1.453 1.459 13.558 838 H GLU 708 H GLU 708 -2.780 8.408 10.559 839 HA GLU 708 HA GLU 708 -2.599 10.588 11.007 840 HB2 GLU 708 2HB GLU 708 -4.775 10.553 12.132 841 HB3 GLU 708 1HB GLU 708 -4.038 9.979 13.610 842 HG2 GLU 708 2HG GLU 708 -4.614 12.300 13.829 843 HG3 GLU 708 1HG GLU 708 -2.864 12.126 13.824 844 H GLU 709 H GLU 709 -0.451 9.882 10.886 845 HA GLU 709 HA GLU 709 1.181 10.295 13.296 846 HB2 GLU 709 2HB GLU 709 1.825 9.313 10.501 847 HB3 GLU 709 1HB GLU 709 3.030 9.568 11.736 848 HG2 GLU 709 2HG GLU 709 2.582 7.227 11.525 849 HG3 GLU 709 1HG GLU 709 1.971 7.780 13.075 850 H ASP 710 H ASP 710 3.463 11.429 12.033 851 HA ASP 710 HA ASP 710 2.939 13.265 9.981 852 HB2 ASP 710 2HB ASP 710 1.500 14.430 11.614 853 HB3 ASP 710 1HB ASP 710 2.888 14.628 12.679 854 H ASN 711 H ASN 711 4.815 12.927 12.987 855 HA ASN 711 HA ASN 711 6.801 14.675 12.024 856 HB2 ASN 711 2HB ASN 711 8.133 14.191 13.976 857 HB3 ASN 711 1HB ASN 711 6.458 14.426 14.431 858 HD21 ASN 711 2HD ASN 711 8.137 11.514 16.154 859 H SER 712 H SER 712 6.586 11.189 11.723 860 HA SER 712 HA SER 712 8.720 11.397 9.852 861 HB2 SER 712 2HB SER 712 10.065 11.305 11.799 862 HB3 SER 712 1HB SER 712 9.249 9.846 12.388 863 HG SER 712 HG SER 712 11.224 9.430 11.404 864 H THR 713 H THR 713 7.424 8.617 11.736 865 HA THR 713 HA THR 713 7.318 7.238 9.189 866 HB THR 713 HB THR 713 6.980 6.137 11.988 867 HG1 THR 713 1HG THR 713 9.070 7.097 10.795 868 HG21 THR 713 2HG THR 713 7.408 3.959 10.899 869 H TYR 714 H TYR 714 5.508 7.090 8.108 870 HA TYR 714 HA TYR 714 2.955 7.725 9.361 871 HB2 TYR 714 2HB TYR 714 3.787 7.371 6.456 872 HB3 TYR 714 1HB TYR 714 2.162 7.787 6.969 873 HD1 TYR 714 1HD TYR 714 5.588 9.076 7.805 874 HD2 TYR 714 2HD TYR 714 1.670 10.038 6.468 875 HE1 TYR 714 1HE TYR 714 6.200 11.438 7.726 876 HE2 TYR 714 2HE TYR 714 2.279 12.402 6.401 877 HH TYR 714 HH TYR 714 3.954 13.902 7.454 878 H ASN 715 H ASN 715 1.317 6.168 9.599 879 HA ASN 715 HA ASN 715 1.975 3.470 8.615 880 HB2 ASN 715 2HB ASN 715 2.352 3.701 11.091 881 HB3 ASN 715 1HB ASN 715 0.639 4.085 11.235 882 HD21 ASN 715 2HD ASN 715 1.823 0.262 10.695 883 H PHE 716 H PHE 716 0.540 2.456 7.612 884 HA PHE 716 HA PHE 716 -2.127 3.605 7.592 885 HB2 PHE 716 2HB PHE 716 -0.564 2.392 5.355 886 HB3 PHE 716 1HB PHE 716 -2.303 2.641 5.226 887 HD1 PHE 716 2HD PHE 716 0.968 4.297 5.559 888 HD2 PHE 716 1HD PHE 716 -3.206 4.850 4.967 889 HE1 PHE 716 2HE PHE 716 1.367 6.654 4.941 890 HE2 PHE 716 1HE PHE 716 -2.808 7.197 4.352 891 HZ PHE 716 HZ PHE 716 -0.523 8.096 4.338 892 H ARG 717 H ARG 717 -3.740 2.517 8.031 893 HA ARG 717 HA ARG 717 -3.458 -0.221 9.001 894 HB2 ARG 717 2HB ARG 717 -4.475 1.754 10.285 895 HB3 ARG 717 1HB ARG 717 -5.793 1.701 9.142 896 HG2 ARG 717 2HG ARG 717 -6.506 0.613 11.118 897 HG3 ARG 717 1HG ARG 717 -6.239 -0.643 9.909 898 HD2 ARG 717 2HD ARG 717 -4.125 -1.229 10.906 899 HD3 ARG 717 1HD ARG 717 -4.217 0.139 12.011 900 HE ARG 717 HE ARG 717 -6.466 -1.578 12.273 901 HH12 ARG 717 1HH ARG 717 -3.220 -2.208 14.646 902 HH21 ARG 717 2HH ARG 717 -5.312 -3.093 15.243 903 H TRP 718 H TRP 718 -3.736 -1.592 7.313 904 HA TRP 718 HA TRP 718 -5.774 -1.036 5.248 905 HB2 TRP 718 2HB TRP 718 -3.344 -1.109 4.580 906 HB3 TRP 718 1HB TRP 718 -3.291 -2.773 5.121 907 HD1 TRP 718 HD TRP 718 -5.590 -4.158 3.646 908 HE1 TRP 718 1HE TRP 718 -5.701 -4.236 1.045 909 HE3 TRP 718 3HE TRP 718 -2.546 -0.178 2.478 910 HZ2 TRP 718 2HZ TRP 718 -4.688 -2.880 -1.121 911 HZ3 TRP 718 3HZ TRP 718 -2.183 0.341 0.118 912 HH2 TRP 718 HH TRP 718 -3.224 -0.977 -1.647 913 H TYR 719 H TYR 719 -7.464 -2.441 5.263 914 HA TYR 719 HA TYR 719 -7.100 -5.031 6.592 915 HB2 TYR 719 2HB TYR 719 -9.655 -3.447 6.196 916 HB3 TYR 719 1HB TYR 719 -9.565 -5.055 6.904 917 HD1 TYR 719 2HD TYR 719 -8.176 -5.326 9.023 918 HD2 TYR 719 1HD TYR 719 -9.424 -1.548 7.543 919 HE1 TYR 719 2HE TYR 719 -7.809 -4.342 11.246 920 HE2 TYR 719 1HE TYR 719 -9.056 -0.552 9.755 921 HH TYR 719 HH TYR 719 -8.983 -1.335 12.108 922 H THR 720 H THR 720 -6.904 -6.620 5.221 923 HA THR 720 HA THR 720 -8.459 -6.533 2.757 924 HB THR 720 HB THR 720 -6.294 -5.787 2.060 925 HG1 THR 720 1HG THR 720 -6.432 -6.975 0.447 926 HG21 THR 720 2HG THR 720 -5.191 -8.238 3.404 927 H SER 721 H SER 721 -9.148 -8.441 2.004 928 HA SER 721 HA SER 721 -9.352 -10.538 3.911 929 HB2 SER 721 2HB SER 721 -11.178 -9.927 2.336 930 HB3 SER 721 1HB SER 721 -10.185 -10.499 0.997 931 HG SER 721 HG SER 721 -11.841 -11.859 2.493 932 H TYR 722 H TYR 722 -7.240 -9.797 1.277 933 HA TYR 722 HA TYR 722 -6.371 -12.424 0.661 934 HB2 TYR 722 2HB TYR 722 -5.106 -9.744 0.112 935 HB3 TYR 722 1HB TYR 722 -4.450 -11.267 -0.471 936 HD1 TYR 722 1HD TYR 722 -7.190 -8.848 -0.807 937 HD2 TYR 722 2HD TYR 722 -5.513 -12.466 -2.275 938 HE1 TYR 722 1HE TYR 722 -8.631 -8.703 -2.795 939 HE2 TYR 722 2HE TYR 722 -6.940 -12.331 -4.265 940 HH TYR 722 HH TYR 722 -9.044 -11.306 -4.911 941 H ALA 723 H ALA 723 -5.759 -10.477 3.337 942 HA ALA 723 HA ALA 723 -3.114 -11.468 3.844 943 HB1 ALA 723 1HB ALA 723 -4.994 -9.868 5.592 944 HB2 ALA 723 2HB ALA 723 -3.696 -9.234 4.604 945 HB3 ALA 723 3HB ALA 723 -3.321 -10.234 6.006 946 H CYS 724 H CYS 724 -5.988 -13.002 3.927 947 HA CYS 724 HA CYS 724 -5.173 -14.698 6.178 948 HB2 CYS 724 2HB CYS 724 -7.882 -14.392 4.886 949 HB3 CYS 724 1HB CYS 724 -7.501 -15.695 5.995 950 HA PRO 725 HA PRO 725 -4.396 -17.820 3.052 951 HB2 PRO 725 2HB PRO 725 -4.074 -19.780 5.156 952 HB3 PRO 725 1HB PRO 725 -2.814 -19.049 4.162 953 HG2 PRO 725 2HG PRO 725 -3.117 -18.600 6.859 954 HG3 PRO 725 1HG PRO 725 -2.310 -17.486 5.743 955 HD2 PRO 725 2HD PRO 725 -5.060 -17.362 6.887 956 HD3 PRO 725 1HD PRO 725 -3.906 -16.058 6.528 Start of MODEL 9 1 H1 GLU 578 1HT GLU 578 2.975 -26.481 16.844 2 H2 GLU 578 2HT GLU 578 3.450 -28.082 17.077 3 H3 GLU 578 3HT GLU 578 3.071 -27.508 15.523 4 HA GLU 578 HA GLU 578 5.385 -26.583 17.101 5 HB2 GLU 578 2HB GLU 578 5.245 -28.979 15.904 6 HB3 GLU 578 1HB GLU 578 5.455 -28.026 14.452 7 HG2 GLU 578 2HG GLU 578 7.386 -28.233 16.769 8 HG3 GLU 578 1HG GLU 578 7.562 -28.975 15.190 9 H ALA 579 H ALA 579 6.493 -24.869 15.995 10 HA ALA 579 HA ALA 579 6.743 -23.001 14.762 11 HB1 ALA 579 1HB ALA 579 6.112 -23.019 12.397 12 HB2 ALA 579 2HB ALA 579 5.068 -24.412 12.672 13 HB3 ALA 579 3HB ALA 579 6.812 -24.574 12.850 14 H GLU 580 H GLU 580 4.334 -23.456 16.484 15 HA GLU 580 HA GLU 580 2.418 -21.587 15.300 16 HB2 GLU 580 2HB GLU 580 2.248 -23.278 17.792 17 HB3 GLU 580 1HB GLU 580 0.955 -22.296 17.127 18 HG2 GLU 580 2HG GLU 580 0.812 -23.651 15.177 19 HG3 GLU 580 1HG GLU 580 2.261 -24.545 15.633 20 H ALA 581 H ALA 581 5.147 -21.221 16.802 21 HA ALA 581 HA ALA 581 4.387 -19.422 18.926 22 HB1 ALA 581 1HB ALA 581 6.467 -20.718 19.114 23 HB2 ALA 581 2HB ALA 581 6.800 -18.986 19.120 24 HB3 ALA 581 3HB ALA 581 7.084 -19.932 17.661 25 H GLU 582 H GLU 582 4.432 -17.211 18.828 26 HA GLU 582 HA GLU 582 4.206 -16.026 16.242 27 HB2 GLU 582 2HB GLU 582 2.839 -15.296 18.174 28 HB3 GLU 582 1HB GLU 582 4.296 -14.797 19.009 29 HG2 GLU 582 2HG GLU 582 4.689 -13.079 17.331 30 HG3 GLU 582 1HG GLU 582 3.255 -13.615 16.451 31 H PHE 583 H PHE 583 6.022 -15.804 15.091 32 HA PHE 583 HA PHE 583 8.557 -15.441 16.413 33 HB2 PHE 583 2HB PHE 583 7.929 -15.619 13.458 34 HB3 PHE 583 1HB PHE 583 9.532 -15.640 14.170 35 HD1 PHE 583 1HD PHE 583 10.127 -17.596 15.690 36 HD2 PHE 583 2HD PHE 583 6.707 -17.571 13.161 37 HE1 PHE 583 1HE PHE 583 10.017 -20.050 15.816 38 HE2 PHE 583 2HE PHE 583 6.589 -20.026 13.289 39 HZ PHE 583 HZ PHE 583 8.246 -21.266 14.615 40 H LEU 584 H LEU 584 9.051 -13.431 17.041 41 HA LEU 584 HA LEU 584 8.167 -11.249 15.363 42 HB2 LEU 584 2HB LEU 584 9.567 -11.153 18.041 43 HB3 LEU 584 1HB LEU 584 9.270 -9.725 17.078 44 HG LEU 584 HG LEU 584 6.810 -10.205 17.293 45 HD13 LEU 584 1HD LEU 584 6.910 -12.572 17.784 46 HD21 LEU 584 2HD LEU 584 8.360 -9.784 19.839 47 H SER 585 H SER 585 9.333 -11.840 13.627 48 HA SER 585 HA SER 585 11.855 -10.478 13.512 49 HB2 SER 585 2HB SER 585 11.564 -13.375 12.636 50 HB3 SER 585 1HB SER 585 12.972 -12.353 12.333 51 HG SER 585 HG SER 585 12.233 -12.340 14.915 52 H ARG 586 H ARG 586 11.122 -9.023 12.132 53 HA ARG 586 HA ARG 586 9.231 -9.791 10.154 54 HB2 ARG 586 2HB ARG 586 8.951 -7.676 11.231 55 HB3 ARG 586 1HB ARG 586 10.548 -7.152 10.736 56 HG2 ARG 586 2HG ARG 586 9.867 -7.083 8.439 57 HG3 ARG 586 1HG ARG 586 8.293 -7.772 8.846 58 HD2 ARG 586 2HD ARG 586 8.176 -5.347 8.538 59 HD3 ARG 586 1HD ARG 586 7.756 -5.822 10.177 60 HE ARG 586 HE ARG 586 10.507 -5.085 9.757 61 HH12 ARG 586 1HH ARG 586 7.804 -2.593 11.492 62 HH21 ARG 586 2HH ARG 586 10.132 -2.094 11.568 63 H THR 587 H THR 587 9.781 -10.777 8.468 64 HA THR 587 HA THR 587 12.391 -10.408 7.260 65 HB THR 587 HB THR 587 10.134 -12.324 6.544 66 HG1 THR 587 1HG THR 587 10.918 -13.631 8.027 67 HG21 THR 587 2HG THR 587 11.739 -11.937 4.705 68 H GLU 588 H GLU 588 12.649 -9.196 5.406 69 HA GLU 588 HA GLU 588 10.203 -8.148 4.216 70 HB2 GLU 588 2HB GLU 588 11.576 -6.243 3.421 71 HB3 GLU 588 1HB GLU 588 11.576 -6.398 5.159 72 HG2 GLU 588 2HG GLU 588 13.800 -7.415 5.099 73 HG3 GLU 588 1HG GLU 588 13.795 -7.314 3.342 74 H GLY 589 H GLY 589 9.800 -8.296 2.092 75 HA2 GLY 589 2HA GLY 589 11.734 -9.755 0.425 76 HA3 GLY 589 1HA GLY 589 10.045 -10.251 0.499 77 H ASP 590 H ASP 590 10.633 -9.777 -1.931 78 HA ASP 590 HA ASP 590 9.711 -7.051 -2.538 79 HB2 ASP 590 2HB ASP 590 12.260 -7.228 -2.659 80 HB3 ASP 590 1HB ASP 590 12.039 -8.416 -3.929 81 H ASN 591 H ASN 591 9.617 -7.206 -5.268 82 HA ASN 591 HA ASN 591 8.460 -7.972 -7.060 83 HB2 ASN 591 2HB ASN 591 10.115 -9.894 -6.770 84 HB3 ASN 591 1HB ASN 591 8.876 -10.752 -5.871 85 HD21 ASN 591 2HD ASN 591 7.181 -11.850 -8.751 86 H CYS 592 H CYS 592 7.109 -7.281 -4.556 87 HA CYS 592 HA CYS 592 5.009 -7.108 -3.713 88 HB2 CYS 592 2HB CYS 592 4.190 -8.610 -6.209 89 HB3 CYS 592 1HB CYS 592 3.085 -7.794 -5.111 90 H THR 593 H THR 593 6.761 -9.402 -3.179 91 HA THR 593 HA THR 593 4.734 -11.103 -2.049 92 HB THR 593 HB THR 593 6.206 -13.102 -2.527 93 HG1 THR 593 1HG THR 593 7.810 -11.240 -3.607 94 HG21 THR 593 2HG THR 593 4.145 -12.766 -3.788 95 H VAL 594 H VAL 594 5.352 -12.055 -0.182 96 HA VAL 594 HA VAL 594 7.976 -11.397 0.817 97 HB VAL 594 HB VAL 594 6.640 -9.717 1.868 98 HG13 VAL 594 1HG VAL 594 4.444 -10.568 1.455 99 HG21 VAL 594 2HG VAL 594 6.779 -10.283 4.223 100 H PHE 595 H PHE 595 8.981 -13.077 1.641 101 HA PHE 595 HA PHE 595 7.359 -15.351 2.382 102 HB2 PHE 595 2HB PHE 595 8.940 -16.854 1.223 103 HB3 PHE 595 1HB PHE 595 8.080 -15.800 0.116 104 HD1 PHE 595 1HD PHE 595 9.274 -13.962 -1.021 105 HD2 PHE 595 2HD PHE 595 11.326 -16.732 1.477 106 HE1 PHE 595 1HE PHE 595 11.418 -13.262 -2.006 107 HE2 PHE 595 2HE PHE 595 13.466 -16.038 0.496 108 HZ PHE 595 HZ PHE 595 13.514 -14.301 -1.250 109 H ASP 596 H ASP 596 8.171 -16.599 3.922 110 HA ASP 596 HA ASP 596 10.645 -15.685 5.326 111 HB2 ASP 596 2HB ASP 596 8.342 -15.132 6.414 112 HB3 ASP 596 1HB ASP 596 8.165 -16.856 6.551 113 H SER 597 H SER 597 11.991 -17.335 4.922 114 HA SER 597 HA SER 597 11.119 -19.971 4.326 115 HB2 SER 597 2HB SER 597 13.882 -18.963 5.004 116 HB3 SER 597 1HB SER 597 13.493 -20.506 4.236 117 HG SER 597 HG SER 597 12.237 -18.779 2.814 118 H GLN 598 H GLN 598 11.872 -18.309 7.186 119 HA GLN 598 HA GLN 598 12.852 -20.395 8.847 120 HB2 GLN 598 2HB GLN 598 11.495 -17.797 9.507 121 HB3 GLN 598 1HB GLN 598 12.547 -18.724 10.580 122 HG2 GLN 598 2HG GLN 598 14.455 -18.133 9.420 123 HG3 GLN 598 1HG GLN 598 13.573 -17.795 7.937 124 HE21 GLN 598 2HE GLN 598 12.781 -14.494 8.608 125 H ALA 599 H ALA 599 9.707 -18.795 8.498 126 HA ALA 599 HA ALA 599 8.438 -20.878 10.114 127 HB1 ALA 599 1HB ALA 599 7.828 -18.535 10.545 128 HB2 ALA 599 2HB ALA 599 6.435 -19.470 9.997 129 HB3 ALA 599 3HB ALA 599 7.260 -18.382 8.880 130 H GLY 600 H GLY 600 8.963 -19.988 6.858 131 HA2 GLY 600 2HA GLY 600 8.609 -21.306 4.977 132 HA3 GLY 600 1HA GLY 600 7.715 -22.446 5.981 133 H PHE 601 H PHE 601 7.426 -19.090 5.001 134 HA PHE 601 HA PHE 601 4.604 -19.557 4.339 135 HB2 PHE 601 2HB PHE 601 4.788 -18.667 6.638 136 HB3 PHE 601 1HB PHE 601 5.709 -17.307 6.029 137 HD1 PHE 601 1HD PHE 601 2.417 -18.911 6.124 138 HD2 PHE 601 2HD PHE 601 4.620 -15.445 5.034 139 HE1 PHE 601 1HE PHE 601 0.318 -17.676 5.830 140 HE2 PHE 601 2HE PHE 601 2.521 -14.202 4.745 141 HZ PHE 601 HZ PHE 601 0.372 -15.320 5.141 142 H SER 602 H SER 602 3.881 -18.296 2.611 143 HA SER 602 HA SER 602 5.659 -16.275 1.500 144 HB2 SER 602 2HB SER 602 5.274 -17.280 -0.781 145 HB3 SER 602 1HB SER 602 6.266 -18.272 0.283 146 HG SER 602 HG SER 602 3.562 -18.746 0.459 147 H PHE 603 H PHE 603 4.486 -14.476 0.994 148 HA PHE 603 HA PHE 603 1.616 -14.883 0.564 149 HB2 PHE 603 2HB PHE 603 2.635 -13.765 2.785 150 HB3 PHE 603 1HB PHE 603 2.627 -12.380 1.729 151 HD1 PHE 603 1HD PHE 603 0.461 -14.997 3.082 152 HD2 PHE 603 2HD PHE 603 0.675 -11.181 1.243 153 HE1 PHE 603 1HE PHE 603 -1.926 -14.680 3.503 154 HE2 PHE 603 2HE PHE 603 -1.730 -10.861 1.669 155 HZ PHE 603 HZ PHE 603 -3.015 -12.613 2.796 156 H ASP 604 H ASP 604 0.654 -13.514 -0.940 157 HA ASP 604 HA ASP 604 2.402 -11.765 -2.565 158 HB2 ASP 604 2HB ASP 604 2.044 -13.771 -3.896 159 HB3 ASP 604 1HB ASP 604 0.314 -13.715 -3.585 160 H LEU 605 H LEU 605 1.524 -9.843 -3.208 161 HA LEU 605 HA LEU 605 -1.309 -9.345 -2.542 162 HB2 LEU 605 2HB LEU 605 1.051 -7.621 -1.857 163 HB3 LEU 605 1HB LEU 605 -0.608 -7.073 -1.787 164 HG LEU 605 HG LEU 605 0.483 -9.362 -0.150 165 HD13 LEU 605 1HD LEU 605 0.357 -7.786 1.696 166 HD21 LEU 605 2HD LEU 605 -1.609 -8.995 1.135 167 H THR 606 H THR 606 0.230 -9.819 -5.120 168 HA THR 606 HA THR 606 0.619 -7.542 -6.539 169 HB THR 606 HB THR 606 -0.303 -10.266 -7.435 170 HG1 THR 606 1HG THR 606 1.643 -10.624 -6.655 171 HG21 THR 606 2HG THR 606 0.949 -8.013 -8.973 172 HA PRO 607 HA PRO 607 -4.043 -7.892 -8.227 173 HB2 PRO 607 2HB PRO 607 -5.805 -8.800 -6.296 174 HB3 PRO 607 1HB PRO 607 -5.186 -9.747 -7.655 175 HG2 PRO 607 2HG PRO 607 -4.237 -9.660 -4.818 176 HG3 PRO 607 1HG PRO 607 -4.443 -11.058 -5.888 177 HD2 PRO 607 2HD PRO 607 -2.028 -10.038 -5.436 178 HD3 PRO 607 1HD PRO 607 -2.491 -10.602 -7.057 179 H LEU 608 H LEU 608 -2.936 -6.792 -5.110 180 HA LEU 608 HA LEU 608 -5.167 -5.025 -4.779 181 HB2 LEU 608 2HB LEU 608 -2.621 -5.362 -3.204 182 HB3 LEU 608 1HB LEU 608 -3.850 -4.160 -2.862 183 HG LEU 608 HG LEU 608 -5.430 -6.085 -2.399 184 HD13 LEU 608 1HD LEU 608 -4.458 -8.218 -1.848 185 HD21 LEU 608 2HD LEU 608 -4.405 -4.832 -0.606 186 H THR 609 H THR 609 -2.430 -5.006 -6.654 187 HA THR 609 HA THR 609 -1.629 -2.276 -6.345 188 HB THR 609 HB THR 609 -1.083 -4.208 -8.619 189 HG1 THR 609 1HG THR 609 -0.181 -5.194 -6.965 190 HG21 THR 609 2HG THR 609 0.414 -1.741 -7.689 191 H LYS 610 H LYS 610 -2.605 -0.523 -7.246 192 HA LYS 610 HA LYS 610 -4.504 -0.965 -9.463 193 HB2 LYS 610 2HB LYS 610 -4.376 1.443 -7.619 194 HB3 LYS 610 1HB LYS 610 -5.461 1.219 -8.924 195 HG2 LYS 610 2HG LYS 610 -6.506 -0.726 -7.770 196 HG3 LYS 610 1HG LYS 610 -5.431 -0.417 -6.419 197 HD2 LYS 610 2HD LYS 610 -6.316 1.808 -6.105 198 HD3 LYS 610 1HD LYS 610 -7.339 1.634 -7.523 199 HE2 LYS 610 2HE LYS 610 -7.520 -0.094 -5.074 200 HE3 LYS 610 1HE LYS 610 -8.512 1.348 -5.312 201 HZ1 LYS 610 3HZ LYS 610 -9.442 0.258 -7.293 202 HZ2 LYS 610 1HZ LYS 610 -9.710 -0.628 -5.901 203 HZ3 LYS 610 2HZ LYS 610 -8.528 -1.128 -6.976 204 H LYS 611 H LYS 611 -4.447 0.630 -11.201 205 HA LYS 611 HA LYS 611 -1.796 1.588 -11.712 206 HB2 LYS 611 2HB LYS 611 -2.698 2.492 -13.834 207 HB3 LYS 611 1HB LYS 611 -3.079 0.795 -13.612 208 HG2 LYS 611 2HG LYS 611 -5.340 1.358 -12.976 209 HG3 LYS 611 1HG LYS 611 -4.968 3.082 -13.105 210 HD2 LYS 611 2HD LYS 611 -4.503 2.795 -15.476 211 HD3 LYS 611 1HD LYS 611 -4.828 1.068 -15.336 212 HE2 LYS 611 2HE LYS 611 -7.126 1.566 -14.648 213 HE3 LYS 611 1HE LYS 611 -6.795 3.283 -14.798 214 HZ1 LYS 611 3HZ LYS 611 -6.368 2.948 -17.156 215 HZ2 LYS 611 1HZ LYS 611 -7.914 2.424 -16.748 216 HZ3 LYS 611 2HZ LYS 611 -6.683 1.298 -16.992 217 H ASP 612 H ASP 612 -4.819 3.043 -10.661 218 HA ASP 612 HA ASP 612 -3.600 5.694 -10.786 219 HB2 ASP 612 2HB ASP 612 -6.442 4.873 -10.186 220 HB3 ASP 612 1HB ASP 612 -5.872 6.514 -9.946 221 H ALA 613 H ALA 613 -3.793 3.235 -8.745 222 HA ALA 613 HA ALA 613 -3.156 2.870 -6.618 223 HB1 ALA 613 1HB ALA 613 -1.372 4.491 -7.072 224 HB2 ALA 613 2HB ALA 613 -1.895 4.542 -5.387 225 HB3 ALA 613 3HB ALA 613 -2.421 5.794 -6.515 226 H TYR 614 H TYR 614 -3.423 3.922 -4.310 227 HA TYR 614 HA TYR 614 -6.300 4.142 -3.982 228 HB2 TYR 614 2HB TYR 614 -4.084 3.423 -2.067 229 HB3 TYR 614 1HB TYR 614 -5.755 3.608 -1.553 230 HD1 TYR 614 2HD TYR 614 -3.630 1.730 -3.977 231 HD2 TYR 614 1HD TYR 614 -7.190 1.757 -1.652 232 HE1 TYR 614 2HE TYR 614 -4.075 -0.562 -4.652 233 HE2 TYR 614 1HE TYR 614 -7.642 -0.561 -2.322 234 HH TYR 614 HH TYR 614 -5.278 -2.437 -3.932 235 H LYS 615 H LYS 615 -7.237 5.688 -2.596 236 HA LYS 615 HA LYS 615 -5.514 7.944 -2.024 237 HB2 LYS 615 2HB LYS 615 -7.357 9.498 -2.662 238 HB3 LYS 615 1HB LYS 615 -6.646 8.601 -3.972 239 HG2 LYS 615 2HG LYS 615 -8.902 8.545 -4.489 240 HG3 LYS 615 1HG LYS 615 -8.609 7.000 -3.689 241 HD2 LYS 615 2HD LYS 615 -10.739 8.029 -2.989 242 HD3 LYS 615 1HD LYS 615 -9.616 7.771 -1.658 243 HE2 LYS 615 2HE LYS 615 -8.988 10.113 -1.713 244 HE3 LYS 615 1HE LYS 615 -10.049 10.397 -3.090 245 HZ1 LYS 615 3HZ LYS 615 -11.940 9.819 -1.722 246 HZ2 LYS 615 1HZ LYS 615 -11.096 11.055 -0.964 247 HZ3 LYS 615 2HZ LYS 615 -10.956 9.456 -0.413 248 H VAL 616 H VAL 616 -5.413 8.370 0.003 249 HA VAL 616 HA VAL 616 -7.750 7.816 1.723 250 HB VAL 616 HB VAL 616 -4.863 8.115 2.561 251 HG13 VAL 616 1HG VAL 616 -5.573 7.026 4.636 252 HG21 VAL 616 2HG VAL 616 -4.751 5.668 2.781 253 H GLU 617 H GLU 617 -8.686 9.724 2.350 254 HA GLU 617 HA GLU 617 -6.885 12.021 2.394 255 HB2 GLU 617 2HB GLU 617 -8.771 13.501 1.860 256 HB3 GLU 617 1HB GLU 617 -8.448 12.331 0.593 257 HG2 GLU 617 2HG GLU 617 -10.342 11.014 1.281 258 HG3 GLU 617 1HG GLU 617 -10.641 12.100 2.641 259 H THR 618 H THR 618 -6.936 13.451 3.953 260 HA THR 618 HA THR 618 -8.743 13.062 6.197 261 HB THR 618 HB THR 618 -6.845 13.704 7.694 262 HG1 THR 618 1HG THR 618 -5.423 13.556 5.266 263 HG21 THR 618 2HG THR 618 -6.307 11.216 6.068 264 H ASP 619 H ASP 619 -8.266 15.308 7.577 265 HA ASP 619 HA ASP 619 -9.029 17.360 5.718 266 HB2 ASP 619 2HB ASP 619 -8.314 17.614 8.637 267 HB3 ASP 619 1HB ASP 619 -8.989 18.898 7.653 268 H LYS 620 H LYS 620 -6.148 16.349 7.219 269 HA LYS 620 HA LYS 620 -4.694 18.764 6.628 270 HB2 LYS 620 2HB LYS 620 -3.806 16.120 7.767 271 HB3 LYS 620 1HB LYS 620 -2.758 17.520 7.590 272 HG2 LYS 620 2HG LYS 620 -4.189 18.795 9.116 273 HG3 LYS 620 1HG LYS 620 -5.261 17.414 9.278 274 HD2 LYS 620 2HD LYS 620 -2.342 17.437 10.063 275 HD3 LYS 620 1HD LYS 620 -3.681 17.694 11.178 276 HE2 LYS 620 2HE LYS 620 -4.531 15.445 10.650 277 HE3 LYS 620 1HE LYS 620 -3.169 15.188 9.559 278 HZ1 LYS 620 3HZ LYS 620 -2.802 14.205 11.812 279 HZ2 LYS 620 1HZ LYS 620 -2.940 15.740 12.461 280 HZ3 LYS 620 2HZ LYS 620 -1.678 15.383 11.431 281 H TYR 621 H TYR 621 -4.385 15.342 5.582 282 HA TYR 621 HA TYR 621 -3.066 16.338 3.125 283 HB2 TYR 621 2HB TYR 621 -2.221 13.856 4.621 284 HB3 TYR 621 1HB TYR 621 -1.448 14.580 3.227 285 HD1 TYR 621 2HD TYR 621 -0.249 16.801 3.554 286 HD2 TYR 621 1HD TYR 621 -1.638 14.425 6.793 287 HE1 TYR 621 2HE TYR 621 1.285 17.973 5.065 288 HE2 TYR 621 1HE TYR 621 -0.131 15.564 8.320 289 HH TYR 621 HH TYR 621 1.526 18.451 7.416 290 H GLU 622 H GLU 622 -3.105 14.712 1.426 291 HA GLU 622 HA GLU 622 -4.870 12.488 1.954 292 HB2 GLU 622 2HB GLU 622 -5.581 12.512 -0.423 293 HB3 GLU 622 1HB GLU 622 -6.137 13.906 0.484 294 HG2 GLU 622 2HG GLU 622 -4.410 15.259 -0.542 295 HG3 GLU 622 1HG GLU 622 -3.814 13.839 -1.413 296 H PHE 623 H PHE 623 -4.169 10.609 1.399 297 HA PHE 623 HA PHE 623 -1.328 10.545 0.662 298 HB2 PHE 623 2HB PHE 623 -2.924 8.468 2.163 299 HB3 PHE 623 1HB PHE 623 -1.181 8.591 2.020 300 HD1 PHE 623 1HD PHE 623 -0.005 10.450 3.175 301 HD2 PHE 623 2HD PHE 623 -4.103 9.625 3.873 302 HE1 PHE 623 1HE PHE 623 0.090 11.754 5.268 303 HE2 PHE 623 2HE PHE 623 -4.026 10.922 5.951 304 HZ PHE 623 HZ PHE 623 -1.925 11.988 6.656 305 H HIS 624 H HIS 624 -0.877 9.557 -1.220 306 HA HIS 624 HA HIS 624 -2.905 7.731 -2.254 307 HB2 HIS 624 2HB HIS 624 -0.908 9.423 -3.787 308 HB3 HIS 624 1HB HIS 624 -1.957 8.216 -4.523 309 HD1 HIS 624 1HD HIS 624 -4.325 8.978 -5.157 310 HD2 HIS 624 2HD HIS 624 -2.354 11.727 -2.722 311 HE1 HIS 624 1HE HIS 624 -5.809 10.962 -5.049 312 HE2 HIS 624 2HE HIS 624 -4.621 12.637 -3.610 313 H ILE 625 H ILE 625 -2.375 5.721 -2.297 314 HA ILE 625 HA ILE 625 0.468 4.973 -1.959 315 HB ILE 625 HB ILE 625 -1.918 3.783 -0.521 316 HG12 ILE 625 1HG ILE 625 0.288 5.549 0.559 317 HG23 ILE 625 2HG ILE 625 -0.141 2.152 -0.938 318 HD11 ILE 625 1HD ILE 625 -0.452 3.904 2.201 319 H ASN 626 H ASN 626 1.040 3.020 -2.934 320 HA ASN 626 HA ASN 626 -1.066 1.505 -4.271 321 HB2 ASN 626 2HB ASN 626 0.547 2.974 -5.799 322 HB3 ASN 626 1HB ASN 626 1.697 1.694 -5.429 323 HD21 ASN 626 2HD ASN 626 -0.278 1.046 -8.528 324 H VAL 627 H VAL 627 -0.428 -0.776 -4.394 325 HA VAL 627 HA VAL 627 0.885 -1.492 -1.990 326 HB VAL 627 HB VAL 627 -0.226 -3.259 -4.178 327 HG13 VAL 627 1HG VAL 627 -0.127 -5.094 -2.549 328 HG21 VAL 627 2HG VAL 627 -1.871 -1.897 -3.068 329 H CYS 628 H CYS 628 1.709 -1.356 -5.228 330 HA CYS 628 HA CYS 628 4.497 -2.039 -4.773 331 HB2 CYS 628 2HB CYS 628 2.819 -3.317 -6.932 332 HB3 CYS 628 1HB CYS 628 4.565 -3.411 -6.819 333 H GLY 629 H GLY 629 5.808 -0.852 -6.056 334 HA2 GLY 629 2HA GLY 629 6.513 0.427 -7.833 335 HA3 GLY 629 1HA GLY 629 4.988 0.073 -8.622 336 HA PRO 630 HA PRO 630 4.961 4.521 -7.530 337 HB2 PRO 630 2HB PRO 630 4.008 5.001 -10.218 338 HB3 PRO 630 1HB PRO 630 5.524 5.515 -9.479 339 HG2 PRO 630 2HG PRO 630 5.414 3.657 -11.464 340 HG3 PRO 630 1HG PRO 630 6.661 3.651 -10.204 341 HD2 PRO 630 2HD PRO 630 4.145 2.040 -10.375 342 HD3 PRO 630 1HD PRO 630 5.791 1.512 -9.952 343 H VAL 631 H VAL 631 3.309 6.030 -7.426 344 HA VAL 631 HA VAL 631 0.557 5.011 -7.677 345 HB VAL 631 HB VAL 631 -0.105 6.805 -6.122 346 HG13 VAL 631 1HG VAL 631 2.140 5.124 -5.105 347 HG21 VAL 631 2HG VAL 631 1.569 8.493 -6.667 348 H SER 632 H SER 632 -0.993 6.507 -8.614 349 HA SER 632 HA SER 632 0.430 8.424 -10.306 350 HB2 SER 632 2HB SER 632 -0.814 6.548 -11.449 351 HB3 SER 632 1HB SER 632 -2.298 7.234 -10.788 352 HG SER 632 HG SER 632 -1.054 7.844 -12.959 353 H VAL 633 H VAL 633 0.083 10.487 -9.915 354 HA VAL 633 HA VAL 633 -2.399 11.517 -8.806 355 HB VAL 633 HB VAL 633 0.265 12.225 -7.541 356 HG13 VAL 633 1HG VAL 633 -2.517 12.772 -6.582 357 HG21 VAL 633 2HG VAL 633 -0.308 10.935 -5.539 358 H GLY 634 H GLY 634 -2.597 13.684 -9.570 359 HA2 GLY 634 2HA GLY 634 -0.962 14.404 -11.770 360 HA3 GLY 634 1HA GLY 634 -2.156 15.434 -10.993 361 H ALA 635 H ALA 635 -0.843 15.163 -8.406 362 HA ALA 635 HA ALA 635 1.096 17.307 -8.768 363 HB1 ALA 635 1HB ALA 635 0.790 17.712 -6.382 364 HB2 ALA 635 2HB ALA 635 -0.224 16.278 -6.269 365 HB3 ALA 635 3HB ALA 635 -0.761 17.655 -7.228 366 H CYS 636 H CYS 636 1.449 14.055 -8.708 367 HA CYS 636 HA CYS 636 3.950 14.237 -7.181 368 HB2 CYS 636 2HB CYS 636 2.121 11.811 -7.251 369 HB3 CYS 636 1HB CYS 636 3.623 11.967 -6.366 370 HA PRO 637 HA PRO 637 5.814 12.789 -10.846 371 HB2 PRO 637 2HB PRO 637 8.003 11.451 -9.945 372 HB3 PRO 637 1HB PRO 637 7.857 13.210 -9.858 373 HG2 PRO 637 2HG PRO 637 7.397 11.165 -7.730 374 HG3 PRO 637 1HG PRO 637 8.230 12.725 -7.617 375 HD2 PRO 637 2HD PRO 637 5.679 12.344 -6.786 376 HD3 PRO 637 1HD PRO 637 6.271 13.899 -7.398 377 HA PRO 638 HA PRO 638 4.436 8.598 -11.677 378 HB2 PRO 638 2HB PRO 638 6.460 8.386 -13.794 379 HB3 PRO 638 1HB PRO 638 4.707 8.456 -13.944 380 HG2 PRO 638 2HG PRO 638 6.261 10.500 -14.719 381 HG3 PRO 638 1HG PRO 638 4.669 10.769 -13.993 382 HD2 PRO 638 2HD PRO 638 7.378 10.945 -12.729 383 HD3 PRO 638 1HD PRO 638 5.991 12.057 -12.609 384 H ASP 639 H ASP 639 7.037 9.097 -10.028 385 HA ASP 639 HA ASP 639 7.931 6.305 -10.108 386 HB2 ASP 639 2HB ASP 639 9.636 7.677 -11.242 387 HB3 ASP 639 1HB ASP 639 9.772 8.700 -9.819 388 H SER 640 H SER 640 6.425 8.573 -8.307 389 HA SER 640 HA SER 640 7.633 7.804 -5.786 390 HB2 SER 640 2HB SER 640 5.843 9.266 -4.799 391 HB3 SER 640 1HB SER 640 6.871 10.114 -5.948 392 HG SER 640 HG SER 640 4.643 8.945 -7.077 393 H GLY 641 H GLY 641 6.858 6.151 -4.514 394 HA2 GLY 641 2HA GLY 641 4.590 4.676 -5.636 395 HA3 GLY 641 1HA GLY 641 5.802 4.004 -4.555 396 H ALA 642 H ALA 642 5.227 6.812 -3.259 397 HA ALA 642 HA ALA 642 2.595 6.506 -2.198 398 HB1 ALA 642 1HB ALA 642 3.363 6.520 0.159 399 HB2 ALA 642 2HB ALA 642 5.030 6.370 -0.394 400 HB3 ALA 642 3HB ALA 642 3.890 5.056 -0.673 401 H CYS 643 H CYS 643 1.840 8.546 -2.013 402 HA CYS 643 HA CYS 643 3.760 10.705 -1.590 403 HB2 CYS 643 2HB CYS 643 3.602 10.376 -4.039 404 HB3 CYS 643 1HB CYS 643 1.873 10.635 -3.941 405 H GLN 644 H GLN 644 2.924 12.361 -0.429 406 HA GLN 644 HA GLN 644 0.040 12.244 0.021 407 HB2 GLN 644 2HB GLN 644 0.408 13.253 2.238 408 HB3 GLN 644 1HB GLN 644 1.289 11.743 2.071 409 HG2 GLN 644 2HG GLN 644 3.336 12.974 1.774 410 HG3 GLN 644 1HG GLN 644 2.420 14.485 1.789 411 HE21 GLN 644 2HE GLN 644 3.176 14.592 5.184 412 H VAL 645 H VAL 645 -1.107 13.946 -0.374 413 HA VAL 645 HA VAL 645 0.295 16.369 -1.255 414 HB VAL 645 HB VAL 645 -2.521 15.454 -1.947 415 HG13 VAL 645 1HG VAL 645 -2.294 17.872 -1.979 416 HG21 VAL 645 2HG VAL 645 -1.656 15.008 -4.202 417 H SER 646 H SER 646 -0.040 18.134 -0.072 418 HA SER 646 HA SER 646 -1.636 17.928 2.296 419 HB2 SER 646 2HB SER 646 0.506 19.121 2.370 420 HB3 SER 646 1HB SER 646 -0.077 20.239 1.143 421 HG SER 646 HG SER 646 -0.660 20.097 3.851 422 H ARG 647 H ARG 647 -3.497 18.885 2.679 423 HA ARG 647 HA ARG 647 -4.855 20.053 0.375 424 HB2 ARG 647 2HB ARG 647 -5.921 18.866 2.944 425 HB3 ARG 647 1HB ARG 647 -6.929 19.525 1.652 426 HG2 ARG 647 2HG ARG 647 -6.162 17.872 0.105 427 HG3 ARG 647 1HG ARG 647 -4.957 17.291 1.245 428 HD2 ARG 647 2HD ARG 647 -6.861 15.786 1.107 429 HD3 ARG 647 1HD ARG 647 -6.720 16.489 2.709 430 HE ARG 647 HE ARG 647 -8.585 17.834 2.262 431 HH12 ARG 647 1HH ARG 647 -9.551 15.420 -0.863 432 HH21 ARG 647 2HH ARG 647 -11.229 16.556 0.323 433 H SER 648 H SER 648 -3.812 20.652 3.623 434 HA SER 648 HA SER 648 -5.165 23.168 3.790 435 HB2 SER 648 2HB SER 648 -4.814 21.801 5.790 436 HB3 SER 648 1HB SER 648 -3.073 21.888 5.551 437 HG SER 648 HG SER 648 -4.675 24.186 5.891 438 H ASP 649 H ASP 649 -1.803 22.053 3.180 439 HA ASP 649 HA ASP 649 -1.066 24.863 2.815 440 HB2 ASP 649 2HB ASP 649 0.165 23.583 4.557 441 HB3 ASP 649 1HB ASP 649 0.763 22.507 3.303 442 H ARG 650 H ARG 650 -1.758 22.137 1.085 443 HA ARG 650 HA ARG 650 -1.695 21.534 -1.093 444 HB2 ARG 650 2HB ARG 650 -1.228 24.476 -1.387 445 HB3 ARG 650 1HB ARG 650 -1.265 23.418 -2.789 446 HG2 ARG 650 2HG ARG 650 -3.465 23.671 -0.772 447 HG3 ARG 650 1HG ARG 650 -3.422 24.530 -2.320 448 HD2 ARG 650 2HD ARG 650 -3.313 22.328 -3.476 449 HD3 ARG 650 1HD ARG 650 -3.483 21.523 -1.920 450 HE ARG 650 HE ARG 650 -5.560 23.389 -2.379 451 HH12 ARG 650 1HH ARG 650 -6.089 19.545 -3.523 452 HH21 ARG 650 2HH ARG 650 -7.940 20.995 -3.283 453 H LYS 651 H LYS 651 0.912 21.527 0.415 454 HA LYS 651 HA LYS 651 2.651 21.399 -1.906 455 HB2 LYS 651 2HB LYS 651 3.225 20.914 1.002 456 HB3 LYS 651 1HB LYS 651 4.372 20.626 -0.296 457 HG2 LYS 651 2HG LYS 651 4.221 23.016 -0.912 458 HG3 LYS 651 1HG LYS 651 3.154 23.257 0.472 459 HD2 LYS 651 2HD LYS 651 5.463 23.860 1.022 460 HD3 LYS 651 1HD LYS 651 4.880 22.478 1.966 461 HE2 LYS 651 2HE LYS 651 7.168 22.115 1.220 462 HE3 LYS 651 1HE LYS 651 6.082 20.954 0.484 463 HZ1 LYS 651 3HZ LYS 651 6.120 22.323 -1.556 464 HZ2 LYS 651 1HZ LYS 651 7.664 21.807 -1.113 465 HZ3 LYS 651 2HZ LYS 651 7.173 23.395 -0.823 466 H SER 652 H SER 652 4.154 19.372 -1.740 467 HA SER 652 HA SER 652 2.564 16.997 -1.221 468 HB2 SER 652 2HB SER 652 3.877 17.590 -3.889 469 HB3 SER 652 1HB SER 652 3.040 16.093 -3.461 470 HG SER 652 HG SER 652 1.392 18.017 -2.899 471 H TRP 653 H TRP 653 3.831 15.240 -0.712 472 HA TRP 653 HA TRP 653 6.742 15.551 -0.855 473 HB2 TRP 653 2HB TRP 653 5.240 14.710 1.643 474 HB3 TRP 653 1HB TRP 653 6.979 14.722 1.450 475 HD1 TRP 653 HD TRP 653 8.199 17.140 1.593 476 HE1 TRP 653 1HE TRP 653 7.418 19.363 2.632 477 HE3 TRP 653 3HE TRP 653 3.240 16.147 1.956 478 HZ2 TRP 653 2HZ TRP 653 4.985 20.536 3.493 479 HZ3 TRP 653 3HZ TRP 653 1.749 17.789 2.879 480 HH2 TRP 653 HH TRP 653 2.587 19.991 3.647 481 H ASN 654 H ASN 654 7.781 13.514 -0.955 482 HA ASN 654 HA ASN 654 5.970 11.413 -1.743 483 HB2 ASN 654 2HB ASN 654 8.989 11.564 -1.781 484 HB3 ASN 654 1HB ASN 654 8.093 10.112 -2.199 485 HD21 ASN 654 2HD ASN 654 8.979 12.144 -5.199 486 H LEU 655 H LEU 655 5.331 9.886 -0.505 487 HA LEU 655 HA LEU 655 6.443 9.653 2.117 488 HB2 LEU 655 2HB LEU 655 4.054 8.448 0.798 489 HB3 LEU 655 1HB LEU 655 4.621 7.873 2.355 490 HG LEU 655 HG LEU 655 3.901 10.723 1.808 491 HD13 LEU 655 1HD LEU 655 2.323 8.458 3.066 492 HD21 LEU 655 2HD LEU 655 4.329 9.225 4.376 493 H GLY 656 H GLY 656 7.176 8.507 -0.756 494 HA2 GLY 656 2HA GLY 656 9.358 7.314 -0.045 495 HA3 GLY 656 1HA GLY 656 8.263 5.971 0.104 496 H ARG 657 H ARG 657 10.343 6.107 -1.657 497 HA ARG 657 HA ARG 657 9.291 6.863 -4.221 498 HB2 ARG 657 2HB ARG 657 11.678 7.232 -3.549 499 HB3 ARG 657 1HB ARG 657 11.891 5.489 -3.521 500 HG2 ARG 657 2HG ARG 657 11.431 5.348 -5.866 501 HG3 ARG 657 1HG ARG 657 11.074 7.077 -5.932 502 HD2 ARG 657 2HD ARG 657 13.353 7.539 -5.185 503 HD3 ARG 657 1HD ARG 657 13.710 5.809 -5.247 504 HE ARG 657 HE ARG 657 12.649 6.587 -7.693 505 HH12 ARG 657 1HH ARG 657 16.562 7.447 -7.101 506 HH21 ARG 657 2HH ARG 657 15.676 7.226 -9.320 507 H SER 658 H SER 658 8.988 5.221 -5.896 508 HA SER 658 HA SER 658 7.404 3.104 -5.196 509 HB2 SER 658 2HB SER 658 9.104 3.400 -7.632 510 HB3 SER 658 1HB SER 658 7.682 2.356 -7.492 511 HG SER 658 HG SER 658 7.900 5.125 -7.636 512 H ASN 659 H ASN 659 7.638 1.101 -4.516 513 HA ASN 659 HA ASN 659 9.853 -0.469 -5.197 514 HB2 ASN 659 2HB ASN 659 10.651 -0.973 -2.898 515 HB3 ASN 659 1HB ASN 659 10.902 0.702 -3.308 516 HD21 ASN 659 2HD ASN 659 7.876 0.186 -0.635 517 H ALA 660 H ALA 660 9.555 -2.703 -4.036 518 HA ALA 660 HA ALA 660 6.655 -3.203 -3.779 519 HB1 ALA 660 1HB ALA 660 8.710 -4.939 -5.158 520 HB2 ALA 660 2HB ALA 660 7.479 -3.958 -5.954 521 HB3 ALA 660 3HB ALA 660 7.002 -5.329 -4.953 522 H LYS 661 H LYS 661 9.009 -2.816 -1.872 523 HA LYS 661 HA LYS 661 9.680 -5.148 -0.659 524 HB2 LYS 661 2HB LYS 661 10.758 -2.858 -0.442 525 HB3 LYS 661 1HB LYS 661 9.442 -2.443 0.632 526 HG2 LYS 661 2HG LYS 661 11.317 -3.071 1.959 527 HG3 LYS 661 1HG LYS 661 10.089 -4.334 2.097 528 HD2 LYS 661 2HD LYS 661 12.156 -5.516 1.737 529 HD3 LYS 661 1HD LYS 661 11.247 -5.463 0.213 530 HE2 LYS 661 2HE LYS 661 13.614 -5.032 -0.161 531 HE3 LYS 661 1HE LYS 661 12.615 -3.662 -0.607 532 HZ1 LYS 661 3HZ LYS 661 14.095 -3.918 1.956 533 HZ2 LYS 661 1HZ LYS 661 13.226 -2.576 1.457 534 HZ3 LYS 661 2HZ LYS 661 14.609 -3.019 0.604 535 H LEU 662 H LEU 662 8.202 -6.503 0.078 536 HA LEU 662 HA LEU 662 6.095 -5.532 1.866 537 HB2 LEU 662 2HB LEU 662 6.466 -8.210 0.520 538 HB3 LEU 662 1HB LEU 662 5.238 -7.913 1.750 539 HG LEU 662 HG LEU 662 5.440 -6.845 -1.046 540 HD13 LEU 662 1HD LEU 662 4.584 -9.080 -0.831 541 HD21 LEU 662 2HD LEU 662 3.350 -5.650 -0.608 542 H SER 663 H SER 663 5.890 -6.542 3.915 543 HA SER 663 HA SER 663 8.270 -7.992 4.802 544 HB2 SER 663 2HB SER 663 7.045 -5.618 6.227 545 HB3 SER 663 1HB SER 663 8.408 -6.589 6.790 546 HG SER 663 HG SER 663 8.814 -5.731 4.280 547 H TYR 664 H TYR 664 7.874 -9.370 6.583 548 HA TYR 664 HA TYR 664 5.025 -9.696 7.271 549 HB2 TYR 664 2HB TYR 664 6.016 -11.487 5.772 550 HB3 TYR 664 1HB TYR 664 7.105 -11.883 7.095 551 HD1 TYR 664 2HD TYR 664 3.446 -11.295 6.631 552 HD2 TYR 664 1HD TYR 664 6.483 -13.761 8.313 553 HE1 TYR 664 2HE TYR 664 1.781 -12.686 7.378 554 HE2 TYR 664 1HE TYR 664 4.751 -15.293 9.155 555 HH TYR 664 HH TYR 664 2.372 -15.270 9.712 556 H TYR 665 H TYR 665 4.694 -9.339 9.391 557 HA TYR 665 HA TYR 665 7.082 -9.165 11.050 558 HB2 TYR 665 2HB TYR 665 5.520 -7.226 10.934 559 HB3 TYR 665 1HB TYR 665 4.276 -8.216 11.677 560 HD1 TYR 665 1HD TYR 665 7.501 -6.546 12.200 561 HD2 TYR 665 2HD TYR 665 4.295 -8.621 14.048 562 HE1 TYR 665 1HE TYR 665 8.341 -5.859 14.385 563 HE2 TYR 665 2HE TYR 665 5.129 -7.939 16.268 564 HH TYR 665 HH TYR 665 7.503 -5.531 16.604 565 H ASP 666 H ASP 666 3.875 -9.962 12.086 566 HA ASP 666 HA ASP 666 4.904 -12.402 13.435 567 HB2 ASP 666 2HB ASP 666 3.066 -12.124 15.004 568 HB3 ASP 666 1HB ASP 666 3.970 -10.612 14.910 569 H GLY 667 H GLY 667 2.656 -11.057 11.281 570 HA2 GLY 667 2HA GLY 667 1.855 -13.291 9.966 571 HA3 GLY 667 1HA GLY 667 0.671 -13.101 11.237 572 H MET 668 H MET 668 1.201 -10.155 11.216 573 HA MET 668 HA MET 668 -0.539 -9.470 9.066 574 HB2 MET 668 2HB MET 668 1.058 -7.750 10.974 575 HB3 MET 668 1HB MET 668 -0.097 -7.118 9.808 576 HG2 MET 668 2HG MET 668 -1.876 -8.394 10.959 577 HG3 MET 668 1HG MET 668 -0.681 -8.916 12.146 578 HE1 MET 668 3HE MET 668 0.277 -5.506 13.862 579 HE2 MET 668 1HE MET 668 1.080 -6.229 12.468 580 HE3 MET 668 2HE MET 668 0.560 -7.246 13.817 581 H ILE 669 H ILE 669 0.085 -9.021 7.099 582 HA ILE 669 HA ILE 669 2.893 -8.872 6.487 583 HB ILE 669 HB ILE 669 0.422 -8.734 4.815 584 HG12 ILE 669 1HG ILE 669 1.336 -10.633 3.622 585 HG23 ILE 669 2HG ILE 669 3.276 -8.544 3.814 586 HD11 ILE 669 1HD ILE 669 0.591 -11.157 6.489 587 H GLN 670 H GLN 670 3.938 -7.037 5.859 588 HA GLN 670 HA GLN 670 2.423 -4.552 6.138 589 HB2 GLN 670 2HB GLN 670 5.283 -5.041 6.963 590 HB3 GLN 670 1HB GLN 670 4.388 -3.546 7.167 591 HG2 GLN 670 2HG GLN 670 2.803 -4.816 8.660 592 HG3 GLN 670 1HG GLN 670 3.904 -6.183 8.545 593 HE21 GLN 670 2HE GLN 670 4.647 -3.086 11.003 594 H LEU 671 H LEU 671 3.293 -2.820 4.908 595 HA LEU 671 HA LEU 671 4.890 -3.572 2.490 596 HB2 LEU 671 2HB LEU 671 2.260 -2.850 2.448 597 HB3 LEU 671 1HB LEU 671 2.982 -1.276 2.571 598 HG LEU 671 HG LEU 671 3.126 -3.223 0.293 599 HD13 LEU 671 1HD LEU 671 1.175 -1.979 0.205 600 HD21 LEU 671 2HD LEU 671 4.436 -1.634 -0.972 601 H THR 672 H THR 672 6.501 -1.876 2.070 602 HA THR 672 HA THR 672 6.388 0.376 3.901 603 HB THR 672 HB THR 672 8.798 -1.452 3.752 604 HG1 THR 672 1HG THR 672 6.576 -1.352 5.283 605 HG21 THR 672 2HG THR 672 9.419 0.926 4.045 606 H TYR 673 H TYR 673 6.707 2.134 2.866 607 HA TYR 673 HA TYR 673 8.386 2.118 0.481 608 HB2 TYR 673 2HB TYR 673 6.181 3.980 1.332 609 HB3 TYR 673 1HB TYR 673 7.343 4.409 0.079 610 HD1 TYR 673 2HD TYR 673 7.521 3.154 -1.938 611 HD2 TYR 673 1HD TYR 673 4.461 2.381 0.887 612 HE1 TYR 673 2HE TYR 673 6.321 1.899 -3.626 613 HE2 TYR 673 1HE TYR 673 3.228 1.118 -0.779 614 HH TYR 673 HH TYR 673 3.106 0.891 -3.171 615 H ARG 674 H ARG 674 10.280 2.929 0.564 616 HA ARG 674 HA ARG 674 10.995 4.717 2.778 617 HB2 ARG 674 2HB ARG 674 12.610 2.685 1.303 618 HB3 ARG 674 1HB ARG 674 13.355 3.941 2.264 619 HG2 ARG 674 2HG ARG 674 12.144 3.096 4.238 620 HG3 ARG 674 1HG ARG 674 11.494 1.789 3.242 621 HD2 ARG 674 2HD ARG 674 13.535 1.140 4.508 622 HD3 ARG 674 1HD ARG 674 13.705 0.986 2.755 623 HE ARG 674 HE ARG 674 14.570 3.494 3.898 624 HH12 ARG 674 1HH ARG 674 17.172 0.706 2.538 625 HH21 ARG 674 2HH ARG 674 17.874 2.936 2.855 626 H ASP 675 H ASP 675 13.189 5.848 2.159 627 HA ASP 675 HA ASP 675 14.249 7.468 1.041 628 HB2 ASP 675 2HB ASP 675 12.998 6.209 -1.419 629 HB3 ASP 675 1HB ASP 675 14.220 7.472 -1.475 630 H GLY 676 H GLY 676 11.555 7.678 2.033 631 HA2 GLY 676 2HA GLY 676 9.914 9.452 0.681 632 HA3 GLY 676 1HA GLY 676 10.121 9.265 2.422 633 H THR 677 H THR 677 9.592 11.682 0.911 634 HA THR 677 HA THR 677 11.910 13.304 0.948 635 HB THR 677 HB THR 677 8.993 14.107 1.165 636 HG1 THR 677 1HG THR 677 10.540 13.950 -1.194 637 HG21 THR 677 2HG THR 677 9.748 16.198 0.083 638 HA PRO 678 HA PRO 678 11.886 13.657 5.475 639 HB2 PRO 678 2HB PRO 678 13.992 15.367 5.665 640 HB3 PRO 678 1HB PRO 678 14.194 13.634 5.381 641 HG2 PRO 678 2HG PRO 678 14.270 15.899 3.434 642 HG3 PRO 678 1HG PRO 678 15.327 14.479 3.537 643 HD2 PRO 678 2HD PRO 678 13.296 14.668 1.761 644 HD3 PRO 678 1HD PRO 678 13.808 13.117 2.456 645 H TYR 679 H TYR 679 11.287 15.218 6.951 646 HA TYR 679 HA TYR 679 10.273 17.736 5.746 647 HB2 TYR 679 2HB TYR 679 9.463 16.560 8.407 648 HB3 TYR 679 1HB TYR 679 8.715 17.914 7.581 649 HD1 TYR 679 2HD TYR 679 7.417 17.465 5.442 650 HD2 TYR 679 1HD TYR 679 8.855 14.390 7.988 651 HE1 TYR 679 2HE TYR 679 5.829 15.839 4.411 652 HE2 TYR 679 1HE TYR 679 7.310 12.823 6.993 653 HH TYR 679 HH TYR 679 5.512 13.496 4.153 654 H ASN 680 H ASN 680 11.458 16.599 8.883 655 HA ASN 680 HA ASN 680 12.891 19.130 9.233 656 HB2 ASN 680 2HB ASN 680 10.679 18.824 10.544 657 HB3 ASN 680 1HB ASN 680 11.505 17.542 11.411 658 HD21 ASN 680 2HD ASN 680 12.229 21.437 12.256 659 H ASN 681 H ASN 681 14.010 18.213 11.769 660 HA ASN 681 HA ASN 681 15.684 17.081 12.676 661 HB2 ASN 681 2HB ASN 681 14.646 14.924 12.196 662 HB3 ASN 681 1HB ASN 681 15.190 14.988 10.529 663 HD21 ASN 681 2HD ASN 681 17.688 12.791 11.627 664 H GLU 682 H GLU 682 17.607 17.767 12.713 665 HA GLU 682 HA GLU 682 18.747 19.232 10.634 666 HB2 GLU 682 2HB GLU 682 19.969 18.111 13.147 667 HB3 GLU 682 1HB GLU 682 20.744 19.301 12.105 668 HG2 GLU 682 2HG GLU 682 19.053 20.915 12.567 669 HG3 GLU 682 1HG GLU 682 18.070 19.735 13.420 670 H LYS 683 H LYS 683 19.152 15.892 11.524 671 HA LYS 683 HA LYS 683 21.438 15.458 9.815 672 HB2 LYS 683 2HB LYS 683 19.586 13.481 11.145 673 HB3 LYS 683 1HB LYS 683 21.081 13.072 10.323 674 HG2 LYS 683 2HG LYS 683 22.353 14.314 11.954 675 HG3 LYS 683 1HG LYS 683 20.861 14.817 12.760 676 HD2 LYS 683 2HD LYS 683 20.347 12.461 13.223 677 HD3 LYS 683 1HD LYS 683 21.855 11.988 12.443 678 HE2 LYS 683 2HE LYS 683 23.132 13.207 14.110 679 HE3 LYS 683 1HE LYS 683 21.646 13.777 14.864 680 HZ1 LYS 683 3HZ LYS 683 21.087 11.466 15.387 681 HZ2 LYS 683 1HZ LYS 683 22.557 11.890 16.068 682 HZ3 LYS 683 2HZ LYS 683 22.520 10.930 14.707 683 H ARG 684 H ARG 684 18.102 15.699 9.358 684 HA ARG 684 HA ARG 684 16.604 15.208 7.787 685 HB2 ARG 684 2HB ARG 684 19.005 15.189 5.971 686 HB3 ARG 684 1HB ARG 684 17.339 15.125 5.423 687 HG2 ARG 684 2HG ARG 684 16.947 17.311 6.492 688 HG3 ARG 684 1HG ARG 684 18.665 17.368 6.908 689 HD2 ARG 684 2HD ARG 684 17.536 17.089 4.146 690 HD3 ARG 684 1HD ARG 684 18.167 18.593 4.833 691 HE ARG 684 HE ARG 684 20.310 17.279 5.066 692 HH12 ARG 684 1HH ARG 684 19.225 16.089 1.349 693 HH21 ARG 684 2HH ARG 684 21.453 16.016 1.984 694 H THR 685 H THR 685 15.595 13.433 8.085 695 HA THR 685 HA THR 685 16.852 11.029 7.045 696 HB THR 685 HB THR 685 16.593 10.787 9.464 697 HG1 THR 685 1HG THR 685 14.841 9.194 7.880 698 HG21 THR 685 2HG THR 685 13.649 11.226 8.980 699 HA PRO 686 HA PRO 686 13.380 11.102 4.198 700 HB2 PRO 686 2HB PRO 686 14.407 8.397 3.542 701 HB3 PRO 686 1HB PRO 686 14.178 9.788 2.476 702 HG2 PRO 686 2HG PRO 686 16.632 8.961 3.178 703 HG3 PRO 686 1HG PRO 686 16.248 10.680 2.966 704 HD2 PRO 686 2HD PRO 686 16.509 9.106 5.504 705 HD3 PRO 686 1HD PRO 686 17.066 10.754 5.117 706 H ARG 687 H ARG 687 11.442 10.569 5.089 707 HA ARG 687 HA ARG 687 11.535 8.341 6.869 708 HB2 ARG 687 2HB ARG 687 9.401 9.107 7.933 709 HB3 ARG 687 1HB ARG 687 10.726 10.268 7.967 710 HG2 ARG 687 2HG ARG 687 8.834 11.538 7.705 711 HG3 ARG 687 1HG ARG 687 9.486 11.430 6.081 712 HD2 ARG 687 2HD ARG 687 7.237 9.676 7.110 713 HD3 ARG 687 1HD ARG 687 6.953 11.182 6.268 714 HE ARG 687 HE ARG 687 7.640 8.699 5.199 715 HH12 ARG 687 1HH ARG 687 8.036 12.055 3.042 716 HH21 ARG 687 2HH ARG 687 8.371 9.973 2.134 717 H ALA 688 H ALA 688 9.063 7.290 7.113 718 HA ALA 688 HA ALA 688 8.926 5.980 4.504 719 HB1 ALA 688 1HB ALA 688 10.436 4.734 5.967 720 HB2 ALA 688 2HB ALA 688 8.981 3.814 5.583 721 HB3 ALA 688 3HB ALA 688 9.143 4.589 7.159 722 H THR 689 H THR 689 7.141 4.624 4.242 723 HA THR 689 HA THR 689 4.830 5.160 5.922 724 HB THR 689 HB THR 689 5.042 5.250 2.922 725 HG1 THR 689 1HG THR 689 4.825 6.983 4.966 726 HG21 THR 689 2HG THR 689 3.049 3.948 3.433 727 H LEU 690 H LEU 690 4.059 3.328 6.716 728 HA LEU 690 HA LEU 690 4.737 0.891 5.311 729 HB2 LEU 690 2HB LEU 690 5.944 1.358 7.416 730 HB3 LEU 690 1HB LEU 690 4.423 1.461 8.256 731 HG LEU 690 HG LEU 690 5.484 -1.011 6.937 732 HD13 LEU 690 1HD LEU 690 6.880 -0.261 8.835 733 HD21 LEU 690 2HD LEU 690 3.226 -0.588 8.872 734 H ILE 691 H ILE 691 2.990 -0.283 4.732 735 HA ILE 691 HA ILE 691 0.332 0.366 5.843 736 HB ILE 691 HB ILE 691 1.058 -1.327 3.421 737 HG12 ILE 691 1HG ILE 691 -0.190 0.233 2.092 738 HG23 ILE 691 2HG ILE 691 -1.668 -0.708 4.479 739 HD11 ILE 691 1HD ILE 691 1.982 1.673 3.598 740 H THR 692 H THR 692 -0.659 -1.115 7.179 741 HA THR 692 HA THR 692 0.675 -3.703 7.433 742 HB THR 692 HB THR 692 -1.125 -2.286 9.430 743 HG1 THR 692 1HG THR 692 1.323 -1.769 8.685 744 HG21 THR 692 2HG THR 692 0.771 -4.633 9.719 745 H PHE 693 H PHE 693 -0.454 -5.323 6.488 746 HA PHE 693 HA PHE 693 -3.226 -4.869 5.738 747 HB2 PHE 693 2HB PHE 693 -1.402 -7.199 5.053 748 HB3 PHE 693 1HB PHE 693 -2.980 -6.875 4.353 749 HD1 PHE 693 2HD PHE 693 -3.271 -4.976 2.793 750 HD2 PHE 693 1HD PHE 693 0.514 -6.099 4.345 751 HE1 PHE 693 2HE PHE 693 -2.128 -3.564 1.068 752 HE2 PHE 693 1HE PHE 693 1.635 -4.719 2.637 753 HZ PHE 693 HZ PHE 693 0.295 -3.469 1.005 754 H LEU 694 H LEU 694 -4.708 -5.426 7.108 755 HA LEU 694 HA LEU 694 -4.298 -7.852 8.674 756 HB2 LEU 694 2HB LEU 694 -6.181 -5.540 9.193 757 HB3 LEU 694 1HB LEU 694 -6.200 -7.036 10.088 758 HG LEU 694 HG LEU 694 -3.843 -6.470 10.831 759 HD13 LEU 694 1HD LEU 694 -3.291 -4.812 9.153 760 HD21 LEU 694 2HD LEU 694 -5.766 -6.266 12.270 761 H CYS 695 H CYS 695 -6.070 -9.262 8.777 762 HA CYS 695 HA CYS 695 -7.780 -9.032 6.406 763 HB2 CYS 695 2HB CYS 695 -6.235 -11.037 6.655 764 HB3 CYS 695 1HB CYS 695 -7.188 -11.495 8.055 765 H ASP 696 H ASP 696 -7.907 -7.920 9.148 766 HA ASP 696 HA ASP 696 -10.279 -8.998 10.402 767 HB2 ASP 696 2HB ASP 696 -8.439 -7.846 11.667 768 HB3 ASP 696 1HB ASP 696 -8.809 -6.364 10.802 769 H ARG 697 H ARG 697 -12.306 -8.397 9.818 770 HA ARG 697 HA ARG 697 -14.020 -7.504 8.668 771 HB2 ARG 697 2HB ARG 697 -12.235 -5.072 8.357 772 HB3 ARG 697 1HB ARG 697 -13.889 -5.143 7.785 773 HG2 ARG 697 2HG ARG 697 -14.659 -5.445 10.086 774 HG3 ARG 697 1HG ARG 697 -12.983 -5.359 10.647 775 HD2 ARG 697 2HD ARG 697 -12.773 -3.108 9.746 776 HD3 ARG 697 1HD ARG 697 -14.415 -3.189 9.115 777 HE ARG 697 HE ARG 697 -14.760 -3.663 11.720 778 HH12 ARG 697 1HH ARG 697 -13.309 0.104 11.226 779 HH21 ARG 697 2HH ARG 697 -14.517 -0.437 13.148 780 H ASP 698 H ASP 698 -14.545 -8.435 6.872 781 HA ASP 698 HA ASP 698 -12.646 -8.682 4.709 782 HB2 ASP 698 2HB ASP 698 -14.137 -10.564 5.263 783 HB3 ASP 698 1HB ASP 698 -15.544 -9.551 4.983 784 H ALA 699 H ALA 699 -12.369 -7.011 3.424 785 HA ALA 699 HA ALA 699 -14.687 -5.359 2.643 786 HB1 ALA 699 1HB ALA 699 -11.892 -4.411 3.298 787 HB2 ALA 699 2HB ALA 699 -13.328 -4.171 4.292 788 HB3 ALA 699 3HB ALA 699 -13.213 -3.399 2.712 789 H GLY 700 H GLY 700 -13.330 -7.639 1.385 790 HA2 GLY 700 2HA GLY 700 -12.846 -8.219 -0.778 791 HA3 GLY 700 1HA GLY 700 -13.084 -6.538 -1.230 792 H VAL 701 H VAL 701 -11.365 -5.464 -1.892 793 HA VAL 701 HA VAL 701 -8.758 -6.715 -1.727 794 HB VAL 701 HB VAL 701 -9.442 -4.030 -2.969 795 HG13 VAL 701 1HG VAL 701 -7.179 -5.927 -3.466 796 HG21 VAL 701 2HG VAL 701 -9.453 -6.735 -4.312 797 H GLY 702 H GLY 702 -10.514 -4.210 -0.247 798 HA2 GLY 702 2HA GLY 702 -10.032 -3.465 1.914 799 HA3 GLY 702 1HA GLY 702 -8.361 -3.933 1.679 800 H PHE 703 H PHE 703 -9.536 -1.511 2.672 801 HA PHE 703 HA PHE 703 -8.356 0.374 0.774 802 HB2 PHE 703 2HB PHE 703 -10.796 0.678 1.103 803 HB3 PHE 703 1HB PHE 703 -10.528 0.867 2.827 804 HD1 PHE 703 2HD PHE 703 -9.758 2.335 -0.466 805 HD2 PHE 703 1HD PHE 703 -10.020 2.977 3.729 806 HE1 PHE 703 2HE PHE 703 -9.442 4.743 -0.819 807 HE2 PHE 703 1HE PHE 703 -9.698 5.389 3.381 808 HZ PHE 703 HZ PHE 703 -9.405 6.263 1.076 809 HA PRO 704 HA PRO 704 -5.524 0.988 4.217 810 HB2 PRO 704 2HB PRO 704 -4.041 2.974 3.149 811 HB3 PRO 704 1HB PRO 704 -3.885 1.298 2.620 812 HG2 PRO 704 2HG PRO 704 -5.284 3.576 1.306 813 HG3 PRO 704 1HG PRO 704 -4.378 2.243 0.576 814 HD2 PRO 704 2HD PRO 704 -7.141 2.384 0.744 815 HD3 PRO 704 1HD PRO 704 -6.213 0.890 0.514 816 H GLU 705 H GLU 705 -5.674 2.227 5.985 817 HA GLU 705 HA GLU 705 -6.801 4.912 5.726 818 HB2 GLU 705 2HB GLU 705 -7.324 2.799 7.773 819 HB3 GLU 705 1HB GLU 705 -7.877 4.476 7.970 820 HG2 GLU 705 2HG GLU 705 -9.163 4.189 5.825 821 HG3 GLU 705 1HG GLU 705 -8.661 2.518 5.810 822 H TYR 706 H TYR 706 -6.040 6.429 7.268 823 HA TYR 706 HA TYR 706 -3.232 6.002 7.742 824 HB2 TYR 706 2HB TYR 706 -3.901 8.073 6.716 825 HB3 TYR 706 1HB TYR 706 -4.980 8.439 8.050 826 HD1 TYR 706 1HD TYR 706 -1.411 7.313 8.010 827 HD2 TYR 706 2HD TYR 706 -4.179 10.368 9.070 828 HE1 TYR 706 1HE TYR 706 0.389 8.569 9.088 829 HE2 TYR 706 2HE TYR 706 -2.361 11.638 10.153 830 HH TYR 706 HH TYR 706 0.916 10.850 9.740 831 H GLN 707 H GLN 707 -2.369 5.246 9.557 832 HA GLN 707 HA GLN 707 -3.804 5.559 12.097 833 HB2 GLN 707 2HB GLN 707 -1.144 4.201 11.637 834 HB3 GLN 707 1HB GLN 707 -2.189 4.029 13.025 835 HG2 GLN 707 2HG GLN 707 -3.816 2.864 11.470 836 HG3 GLN 707 1HG GLN 707 -2.495 2.925 10.281 837 HE21 GLN 707 2HE GLN 707 -0.482 0.918 12.786 838 H GLU 708 H GLU 708 -3.271 7.429 13.136 839 HA GLU 708 HA GLU 708 -0.770 8.673 12.452 840 HB2 GLU 708 2HB GLU 708 -2.801 10.065 12.712 841 HB3 GLU 708 1HB GLU 708 -2.891 9.601 14.404 842 HG2 GLU 708 2HG GLU 708 -0.743 10.694 14.811 843 HG3 GLU 708 1HG GLU 708 -0.662 11.165 13.116 844 H GLU 709 H GLU 709 0.524 7.061 13.173 845 HA GLU 709 HA GLU 709 0.741 6.286 15.953 846 HB2 GLU 709 2HB GLU 709 2.642 5.888 13.634 847 HB3 GLU 709 1HB GLU 709 2.726 5.071 15.185 848 HG2 GLU 709 2HG GLU 709 0.439 4.819 13.248 849 HG3 GLU 709 1HG GLU 709 1.783 3.685 13.362 850 H ASP 710 H ASP 710 2.399 8.322 13.646 851 HA ASP 710 HA ASP 710 3.432 10.051 15.654 852 HB2 ASP 710 2HB ASP 710 5.216 8.324 15.587 853 HB3 ASP 710 1HB ASP 710 5.260 8.451 13.835 854 H ASN 711 H ASN 711 4.113 12.014 14.582 855 HA ASN 711 HA ASN 711 2.514 12.618 12.336 856 HB2 ASN 711 2HB ASN 711 3.176 14.284 14.070 857 HB3 ASN 711 1HB ASN 711 4.823 14.216 13.461 858 HD21 ASN 711 2HD ASN 711 4.190 16.309 10.735 859 H SER 712 H SER 712 5.855 11.567 12.644 860 HA SER 712 HA SER 712 6.260 12.117 9.823 861 HB2 SER 712 2HB SER 712 8.248 11.360 11.965 862 HB3 SER 712 1HB SER 712 8.644 11.791 10.296 863 HG SER 712 HG SER 712 7.034 13.507 11.693 864 H THR 713 H THR 713 5.803 9.484 12.073 865 HA THR 713 HA THR 713 6.471 7.643 9.906 866 HB THR 713 HB THR 713 5.759 6.912 12.774 867 HG1 THR 713 1HG THR 713 7.845 8.042 12.174 868 HG21 THR 713 2HG THR 713 5.229 5.129 11.149 869 H TYR 714 H TYR 714 4.944 7.481 8.513 870 HA TYR 714 HA TYR 714 2.156 7.587 9.301 871 HB2 TYR 714 2HB TYR 714 3.443 7.478 6.562 872 HB3 TYR 714 1HB TYR 714 1.729 7.686 6.871 873 HD1 TYR 714 1HD TYR 714 5.048 9.288 7.303 874 HD2 TYR 714 2HD TYR 714 0.834 9.857 7.254 875 HE1 TYR 714 1HE TYR 714 5.371 11.724 7.318 876 HE2 TYR 714 2HE TYR 714 1.159 12.295 7.262 877 HH TYR 714 HH TYR 714 4.207 13.613 6.626 878 H ASN 715 H ASN 715 1.303 5.684 9.910 879 HA ASN 715 HA ASN 715 2.086 3.289 8.375 880 HB2 ASN 715 2HB ASN 715 2.538 3.458 10.988 881 HB3 ASN 715 1HB ASN 715 0.809 3.165 11.088 882 HD21 ASN 715 2HD ASN 715 1.038 -0.244 10.239 883 H PHE 716 H PHE 716 0.454 2.051 7.605 884 HA PHE 716 HA PHE 716 -2.154 3.324 7.800 885 HB2 PHE 716 2HB PHE 716 -0.779 2.207 5.410 886 HB3 PHE 716 1HB PHE 716 -2.524 2.405 5.397 887 HD1 PHE 716 2HD PHE 716 0.716 4.165 5.662 888 HD2 PHE 716 1HD PHE 716 -3.494 4.589 5.228 889 HE1 PHE 716 2HE PHE 716 1.010 6.548 5.123 890 HE2 PHE 716 1HE PHE 716 -3.200 6.965 4.684 891 HZ PHE 716 HZ PHE 716 -0.943 7.947 4.636 892 H ARG 717 H ARG 717 -3.894 2.312 8.014 893 HA ARG 717 HA ARG 717 -3.835 -0.435 9.016 894 HB2 ARG 717 2HB ARG 717 -4.793 1.565 10.264 895 HB3 ARG 717 1HB ARG 717 -6.017 1.665 9.023 896 HG2 ARG 717 2HG ARG 717 -6.951 0.605 10.930 897 HG3 ARG 717 1HG ARG 717 -6.752 -0.629 9.685 898 HD2 ARG 717 2HD ARG 717 -4.779 -1.470 10.750 899 HD3 ARG 717 1HD ARG 717 -4.767 -0.129 11.894 900 HE ARG 717 HE ARG 717 -7.190 -1.599 12.035 901 HH12 ARG 717 1HH ARG 717 -4.063 -2.645 14.396 902 HH21 ARG 717 2HH ARG 717 -6.256 -3.468 14.871 903 H TRP 718 H TRP 718 -4.180 -1.825 7.312 904 HA TRP 718 HA TRP 718 -6.152 -1.059 5.255 905 HB2 TRP 718 2HB TRP 718 -3.740 -1.238 4.531 906 HB3 TRP 718 1HB TRP 718 -3.778 -2.930 4.980 907 HD1 TRP 718 HD TRP 718 -6.314 -3.991 3.546 908 HE1 TRP 718 1HE TRP 718 -6.490 -3.971 0.948 909 HE3 TRP 718 3HE TRP 718 -2.825 -0.375 2.431 910 HZ2 TRP 718 2HZ TRP 718 -5.356 -2.671 -1.192 911 HZ3 TRP 718 3HZ TRP 718 -2.451 0.172 0.085 912 HH2 TRP 718 HH TRP 718 -3.681 -0.946 -1.689 913 H TYR 719 H TYR 719 -7.965 -2.233 5.476 914 HA TYR 719 HA TYR 719 -7.808 -4.896 6.706 915 HB2 TYR 719 2HB TYR 719 -10.220 -3.148 6.161 916 HB3 TYR 719 1HB TYR 719 -10.258 -4.717 6.952 917 HD1 TYR 719 2HD TYR 719 -8.422 -4.805 8.984 918 HD2 TYR 719 1HD TYR 719 -10.458 -1.353 7.577 919 HE1 TYR 719 2HE TYR 719 -8.088 -3.734 11.154 920 HE2 TYR 719 1HE TYR 719 -10.123 -0.266 9.757 921 HH TYR 719 HH TYR 719 -9.718 -0.926 12.098 922 H THR 720 H THR 720 -7.533 -6.447 5.239 923 HA THR 720 HA THR 720 -9.153 -6.327 2.826 924 HB THR 720 HB THR 720 -7.047 -5.492 2.066 925 HG1 THR 720 1HG THR 720 -7.294 -6.626 0.426 926 HG21 THR 720 2HG THR 720 -5.800 -7.960 3.238 927 H SER 721 H SER 721 -9.800 -8.241 1.966 928 HA SER 721 HA SER 721 -9.918 -10.467 3.742 929 HB2 SER 721 2HB SER 721 -11.710 -9.795 2.108 930 HB3 SER 721 1HB SER 721 -10.645 -10.305 0.803 931 HG SER 721 HG SER 721 -12.273 -11.681 2.377 932 H TYR 722 H TYR 722 -7.868 -9.411 1.161 933 HA TYR 722 HA TYR 722 -6.786 -11.862 0.334 934 HB2 TYR 722 2HB TYR 722 -5.699 -9.067 0.194 935 HB3 TYR 722 1HB TYR 722 -4.847 -10.449 -0.471 936 HD1 TYR 722 1HD TYR 722 -7.965 -8.463 -0.733 937 HD2 TYR 722 2HD TYR 722 -5.428 -11.326 -2.569 938 HE1 TYR 722 1HE TYR 722 -9.214 -8.222 -2.852 939 HE2 TYR 722 2HE TYR 722 -6.659 -11.089 -4.665 940 HH TYR 722 HH TYR 722 -8.828 -8.544 -5.238 941 H ALA 723 H ALA 723 -6.144 -9.900 3.132 942 HA ALA 723 HA ALA 723 -3.526 -10.868 3.630 943 HB1 ALA 723 1HB ALA 723 -5.433 -9.510 5.529 944 HB2 ALA 723 2HB ALA 723 -4.271 -8.727 4.469 945 HB3 ALA 723 3HB ALA 723 -3.699 -9.749 5.777 946 H CYS 724 H CYS 724 -6.113 -12.729 3.633 947 HA CYS 724 HA CYS 724 -5.295 -14.251 5.995 948 HB2 CYS 724 2HB CYS 724 -7.815 -14.382 4.338 949 HB3 CYS 724 1HB CYS 724 -7.360 -15.704 5.392 950 HA PRO 725 HA PRO 725 -3.290 -16.975 3.027 951 HB2 PRO 725 2HB PRO 725 -2.488 -18.572 5.321 952 HB3 PRO 725 1HB PRO 725 -1.475 -17.582 4.266 953 HG2 PRO 725 2HG PRO 725 -1.955 -16.938 6.866 954 HG3 PRO 725 1HG PRO 725 -1.658 -15.731 5.608 955 HD2 PRO 725 2HD PRO 725 -4.250 -16.633 6.787 956 HD3 PRO 725 1HD PRO 725 -3.658 -14.994 6.398 Start of MODEL 10 1 H1 GLU 578 1HT GLU 578 -4.621 -18.476 28.602 2 H2 GLU 578 2HT GLU 578 -4.659 -19.970 27.836 3 H3 GLU 578 3HT GLU 578 -4.603 -18.551 26.920 4 HA GLU 578 HA GLU 578 -2.511 -19.492 28.787 5 HB2 GLU 578 2HB GLU 578 -2.469 -19.474 25.739 6 HB3 GLU 578 1HB GLU 578 -1.092 -19.818 26.758 7 HG2 GLU 578 2HG GLU 578 -1.985 -21.875 25.883 8 HG3 GLU 578 1HG GLU 578 -2.258 -21.820 27.619 9 H ALA 579 H ALA 579 -3.604 -17.069 26.442 10 HA ALA 579 HA ALA 579 -3.188 -14.923 26.159 11 HB1 ALA 579 1HB ALA 579 -1.764 -15.001 28.826 12 HB2 ALA 579 2HB ALA 579 -3.492 -14.725 28.600 13 HB3 ALA 579 3HB ALA 579 -2.325 -13.554 27.985 14 H GLU 580 H GLU 580 -1.029 -17.126 25.731 15 HA GLU 580 HA GLU 580 1.283 -15.390 25.339 16 HB2 GLU 580 2HB GLU 580 1.635 -17.588 26.406 17 HB3 GLU 580 1HB GLU 580 0.980 -18.374 24.977 18 HG2 GLU 580 2HG GLU 580 2.826 -17.376 23.652 19 HG3 GLU 580 1HG GLU 580 3.512 -16.753 25.149 20 H ALA 581 H ALA 581 1.810 -14.699 23.349 21 HA ALA 581 HA ALA 581 0.421 -15.928 21.080 22 HB1 ALA 581 1HB ALA 581 -0.464 -13.690 21.543 23 HB2 ALA 581 2HB ALA 581 0.402 -13.736 20.009 24 HB3 ALA 581 3HB ALA 581 1.167 -13.026 21.432 25 H GLU 582 H GLU 582 1.635 -16.126 19.197 26 HA GLU 582 HA GLU 582 4.479 -16.248 19.649 27 HB2 GLU 582 2HB GLU 582 2.851 -16.895 17.163 28 HB3 GLU 582 1HB GLU 582 4.582 -17.114 17.302 29 HG2 GLU 582 2HG GLU 582 3.459 -19.232 17.529 30 HG3 GLU 582 1HG GLU 582 4.207 -18.804 19.059 31 H PHE 583 H PHE 583 5.335 -14.316 19.710 32 HA PHE 583 HA PHE 583 4.411 -12.282 17.910 33 HB2 PHE 583 2HB PHE 583 5.965 -10.764 19.129 34 HB3 PHE 583 1HB PHE 583 4.832 -11.577 20.186 35 HD1 PHE 583 2HD PHE 583 5.688 -13.571 21.543 36 HD2 PHE 583 1HD PHE 583 8.261 -10.875 19.505 37 HE1 PHE 583 2HE PHE 583 7.568 -14.295 22.957 38 HE2 PHE 583 1HE PHE 583 10.142 -11.594 20.910 39 HZ PHE 583 HZ PHE 583 9.796 -13.304 22.640 40 H LEU 584 H LEU 584 5.081 -12.173 15.963 41 HA LEU 584 HA LEU 584 7.708 -13.219 15.287 42 HB2 LEU 584 2HB LEU 584 5.360 -12.510 13.542 43 HB3 LEU 584 1HB LEU 584 6.936 -12.827 12.871 44 HG LEU 584 HG LEU 584 6.791 -15.139 13.900 45 HD13 LEU 584 1HD LEU 584 3.914 -14.389 14.318 46 HD21 LEU 584 2HD LEU 584 5.317 -16.014 12.162 47 H SER 585 H SER 585 9.220 -12.107 14.158 48 HA SER 585 HA SER 585 9.133 -9.226 14.453 49 HB2 SER 585 2HB SER 585 11.123 -10.432 15.305 50 HB3 SER 585 1HB SER 585 11.398 -11.116 13.708 51 HG SER 585 HG SER 585 12.096 -8.676 14.719 52 H ARG 586 H ARG 586 10.651 -8.391 12.396 53 HA ARG 586 HA ARG 586 8.703 -8.623 10.271 54 HB2 ARG 586 2HB ARG 586 9.564 -6.413 10.976 55 HB3 ARG 586 1HB ARG 586 11.156 -6.876 10.388 56 HG2 ARG 586 2HG ARG 586 10.140 -7.222 8.141 57 HG3 ARG 586 1HG ARG 586 8.651 -6.517 8.759 58 HD2 ARG 586 2HD ARG 586 11.359 -5.199 8.550 59 HD3 ARG 586 1HD ARG 586 9.929 -4.839 7.596 60 HE ARG 586 HE ARG 586 9.241 -4.415 10.243 61 HH12 ARG 586 1HH ARG 586 11.612 -1.552 8.617 62 HH21 ARG 586 2HH ARG 586 10.403 -1.104 10.608 63 H THR 587 H THR 587 8.909 -10.232 8.934 64 HA THR 587 HA THR 587 11.521 -11.011 7.845 65 HB THR 587 HB THR 587 8.738 -12.084 7.234 66 HG1 THR 587 1HG THR 587 9.017 -13.506 8.778 67 HG21 THR 587 2HG THR 587 10.398 -12.572 5.512 68 H GLU 588 H GLU 588 12.134 -10.134 5.829 69 HA GLU 588 HA GLU 588 9.991 -8.652 4.542 70 HB2 GLU 588 2HB GLU 588 11.654 -7.038 3.699 71 HB3 GLU 588 1HB GLU 588 11.526 -7.071 5.442 72 HG2 GLU 588 2HG GLU 588 13.580 -8.423 5.548 73 HG3 GLU 588 1HG GLU 588 13.711 -8.310 3.793 74 H GLY 589 H GLY 589 9.753 -8.554 2.396 75 HA2 GLY 589 2HA GLY 589 11.430 -10.248 0.752 76 HA3 GLY 589 1HA GLY 589 9.673 -10.463 0.750 77 H ASP 590 H ASP 590 10.308 -9.845 -1.611 78 HA ASP 590 HA ASP 590 9.369 -7.208 -1.945 79 HB2 ASP 590 2HB ASP 590 11.298 -6.320 -3.254 80 HB3 ASP 590 1HB ASP 590 11.658 -6.559 -1.555 81 H ASN 591 H ASN 591 9.889 -6.654 -4.433 82 HA ASN 591 HA ASN 591 9.111 -6.948 -6.522 83 HB2 ASN 591 2HB ASN 591 10.942 -8.779 -6.467 84 HB3 ASN 591 1HB ASN 591 9.634 -9.929 -6.215 85 HD21 ASN 591 2HD ASN 591 8.584 -9.909 -9.568 86 H CYS 592 H CYS 592 7.363 -6.952 -4.322 87 HA CYS 592 HA CYS 592 5.146 -6.917 -3.994 88 HB2 CYS 592 2HB CYS 592 4.889 -8.385 -6.624 89 HB3 CYS 592 1HB CYS 592 3.565 -7.649 -5.730 90 H THR 593 H THR 593 6.993 -9.279 -3.442 91 HA THR 593 HA THR 593 4.848 -11.082 -2.667 92 HB THR 593 HB THR 593 6.370 -13.029 -3.068 93 HG1 THR 593 1HG THR 593 8.138 -11.042 -3.681 94 HG21 THR 593 2HG THR 593 5.723 -11.369 -5.509 95 H VAL 594 H VAL 594 5.143 -12.212 -0.801 96 HA VAL 594 HA VAL 594 7.483 -11.629 0.812 97 HB VAL 594 HB VAL 594 5.867 -9.944 1.515 98 HG13 VAL 594 1HG VAL 594 3.685 -10.536 2.464 99 HG21 VAL 594 2HG VAL 594 7.230 -10.923 3.289 100 H PHE 595 H PHE 595 8.132 -13.347 1.990 101 HA PHE 595 HA PHE 595 6.303 -15.562 2.331 102 HB2 PHE 595 2HB PHE 595 8.135 -17.154 1.730 103 HB3 PHE 595 1HB PHE 595 7.601 -16.187 0.368 104 HD1 PHE 595 1HD PHE 595 9.080 -14.491 -0.603 105 HD2 PHE 595 2HD PHE 595 10.346 -16.917 2.658 106 HE1 PHE 595 1HE PHE 595 11.415 -13.843 -1.027 107 HE2 PHE 595 2HE PHE 595 12.676 -16.272 2.236 108 HZ PHE 595 HZ PHE 595 13.213 -14.734 0.395 109 H ASP 596 H ASP 596 6.647 -16.693 4.219 110 HA ASP 596 HA ASP 596 8.802 -15.647 5.957 111 HB2 ASP 596 2HB ASP 596 6.546 -14.695 6.594 112 HB3 ASP 596 1HB ASP 596 6.009 -16.335 6.866 113 H SER 597 H SER 597 10.035 -17.162 6.755 114 HA SER 597 HA SER 597 9.619 -19.863 6.092 115 HB2 SER 597 2HB SER 597 11.646 -18.618 7.937 116 HB3 SER 597 1HB SER 597 11.718 -20.248 7.259 117 HG SER 597 HG SER 597 11.349 -18.855 5.189 118 H GLN 598 H GLN 598 9.225 -18.127 9.182 119 HA GLN 598 HA GLN 598 8.693 -20.631 10.398 120 HB2 GLN 598 2HB GLN 598 8.145 -19.300 12.523 121 HB3 GLN 598 1HB GLN 598 9.809 -19.416 12.006 122 HG2 GLN 598 2HG GLN 598 8.034 -17.017 11.512 123 HG3 GLN 598 1HG GLN 598 9.049 -17.199 12.937 124 HE21 GLN 598 2HE GLN 598 10.609 -15.944 9.437 125 H ALA 599 H ALA 599 6.657 -18.001 9.421 126 HA ALA 599 HA ALA 599 4.333 -19.397 10.440 127 HB1 ALA 599 1HB ALA 599 4.327 -16.944 10.272 128 HB2 ALA 599 2HB ALA 599 3.025 -17.656 9.319 129 HB3 ALA 599 3HB ALA 599 4.484 -17.068 8.521 130 H GLY 600 H GLY 600 6.235 -19.447 7.618 131 HA2 GLY 600 2HA GLY 600 6.286 -20.961 5.893 132 HA3 GLY 600 1HA GLY 600 5.064 -21.877 6.746 133 H PHE 601 H PHE 601 5.233 -18.772 5.044 134 HA PHE 601 HA PHE 601 3.091 -19.734 3.313 135 HB2 PHE 601 2HB PHE 601 1.836 -17.655 3.436 136 HB3 PHE 601 1HB PHE 601 1.954 -18.401 5.030 137 HD1 PHE 601 2HD PHE 601 3.349 -15.722 2.876 138 HD2 PHE 601 1HD PHE 601 2.799 -17.185 6.820 139 HE1 PHE 601 2HE PHE 601 4.157 -13.595 3.758 140 HE2 PHE 601 1HE PHE 601 3.618 -15.054 7.710 141 HZ PHE 601 HZ PHE 601 4.296 -13.262 6.176 142 H SER 602 H SER 602 2.798 -18.457 1.365 143 HA SER 602 HA SER 602 4.911 -16.564 0.753 144 HB2 SER 602 2HB SER 602 5.075 -17.590 -1.540 145 HB3 SER 602 1HB SER 602 5.659 -18.656 -0.265 146 HG SER 602 HG SER 602 2.985 -18.772 -1.130 147 H PHE 603 H PHE 603 3.941 -14.716 0.078 148 HA PHE 603 HA PHE 603 1.368 -14.928 -1.269 149 HB2 PHE 603 2HB PHE 603 1.922 -13.266 1.170 150 HB3 PHE 603 1HB PHE 603 0.751 -12.727 -0.026 151 HD1 PHE 603 2HD PHE 603 -1.284 -13.905 -0.402 152 HD2 PHE 603 1HD PHE 603 1.492 -15.233 2.515 153 HE1 PHE 603 2HE PHE 603 -3.002 -15.363 0.555 154 HE2 PHE 603 1HE PHE 603 -0.216 -16.700 3.483 155 HZ PHE 603 HZ PHE 603 -2.480 -16.762 2.489 156 H ASP 604 H ASP 604 0.845 -13.528 -2.737 157 HA ASP 604 HA ASP 604 2.807 -11.495 -3.466 158 HB2 ASP 604 2HB ASP 604 2.198 -11.875 -5.847 159 HB3 ASP 604 1HB ASP 604 2.852 -13.333 -5.124 160 H LEU 605 H LEU 605 2.024 -9.534 -3.424 161 HA LEU 605 HA LEU 605 -0.890 -9.273 -3.402 162 HB2 LEU 605 2HB LEU 605 1.168 -7.482 -2.058 163 HB3 LEU 605 1HB LEU 605 -0.519 -7.025 -2.229 164 HG LEU 605 HG LEU 605 -1.146 -9.037 -0.868 165 HD13 LEU 605 1HD LEU 605 0.492 -10.137 0.527 166 HD21 LEU 605 2HD LEU 605 -1.044 -6.848 0.175 167 H THR 606 H THR 606 1.114 -9.348 -5.626 168 HA THR 606 HA THR 606 1.261 -7.022 -7.008 169 HB THR 606 HB THR 606 0.728 -9.734 -8.234 170 HG1 THR 606 1HG THR 606 3.299 -9.449 -7.896 171 HG21 THR 606 2HG THR 606 0.978 -7.780 -9.721 172 HA PRO 607 HA PRO 607 -3.185 -8.040 -8.959 173 HB2 PRO 607 2HB PRO 607 -4.460 -9.666 -6.847 174 HB3 PRO 607 1HB PRO 607 -4.469 -9.922 -8.589 175 HG2 PRO 607 2HG PRO 607 -3.066 -11.518 -7.002 176 HG3 PRO 607 1HG PRO 607 -2.406 -10.996 -8.564 177 HD2 PRO 607 2HD PRO 607 -1.838 -9.945 -5.822 178 HD3 PRO 607 1HD PRO 607 -0.690 -10.379 -7.102 179 H LEU 608 H LEU 608 -2.391 -7.335 -5.752 180 HA LEU 608 HA LEU 608 -4.919 -6.087 -5.056 181 HB2 LEU 608 2HB LEU 608 -3.091 -7.473 -3.569 182 HB3 LEU 608 1HB LEU 608 -2.427 -5.854 -3.474 183 HG LEU 608 HG LEU 608 -5.212 -6.446 -2.536 184 HD13 LEU 608 1HD LEU 608 -3.597 -7.835 -1.309 185 HD21 LEU 608 2HD LEU 608 -3.208 -4.352 -1.917 186 H THR 609 H THR 609 -2.051 -5.385 -6.675 187 HA THR 609 HA THR 609 -1.735 -2.616 -6.029 188 HB THR 609 HB THR 609 -0.694 -4.327 -8.279 189 HG1 THR 609 1HG THR 609 -0.130 -4.714 -5.916 190 HG21 THR 609 2HG THR 609 -0.564 -1.944 -8.851 191 H LYS 610 H LYS 610 -2.952 -0.982 -6.891 192 HA LYS 610 HA LYS 610 -4.647 -1.545 -9.237 193 HB2 LYS 610 2HB LYS 610 -4.712 0.902 -7.439 194 HB3 LYS 610 1HB LYS 610 -5.843 0.544 -8.717 195 HG2 LYS 610 2HG LYS 610 -6.606 -1.428 -7.482 196 HG3 LYS 610 1HG LYS 610 -5.468 -1.043 -6.207 197 HD2 LYS 610 2HD LYS 610 -7.455 -0.174 -5.373 198 HD3 LYS 610 1HD LYS 610 -6.678 1.231 -6.068 199 HE2 LYS 610 2HE LYS 610 -8.870 -0.394 -7.369 200 HE3 LYS 610 1HE LYS 610 -9.098 1.117 -6.507 201 HZ1 LYS 610 3HZ LYS 610 -7.774 2.223 -8.203 202 HZ2 LYS 610 1HZ LYS 610 -9.109 1.451 -8.839 203 HZ3 LYS 610 2HZ LYS 610 -7.598 0.735 -9.043 204 H LYS 611 H LYS 611 -4.449 -0.363 -11.111 205 HA LYS 611 HA LYS 611 -1.891 0.832 -11.556 206 HB2 LYS 611 2HB LYS 611 -2.675 1.209 -13.869 207 HB3 LYS 611 1HB LYS 611 -2.927 -0.445 -13.343 208 HG2 LYS 611 2HG LYS 611 -5.292 0.028 -12.971 209 HG3 LYS 611 1HG LYS 611 -5.041 1.703 -13.473 210 HD2 LYS 611 2HD LYS 611 -4.343 0.919 -15.687 211 HD3 LYS 611 1HD LYS 611 -4.588 -0.750 -15.169 212 HE2 LYS 611 2HE LYS 611 -6.958 -0.290 -14.808 213 HE3 LYS 611 1HE LYS 611 -6.715 1.383 -15.306 214 HZ1 LYS 611 3HZ LYS 611 -6.054 0.585 -17.497 215 HZ2 LYS 611 1HZ LYS 611 -7.601 0.040 -17.109 216 HZ3 LYS 611 2HZ LYS 611 -6.288 -1.008 -17.014 217 H ASP 612 H ASP 612 -4.949 2.017 -10.648 218 HA ASP 612 HA ASP 612 -4.281 4.807 -11.300 219 HB2 ASP 612 2HB ASP 612 -6.576 3.982 -11.782 220 HB3 ASP 612 1HB ASP 612 -6.797 3.626 -10.077 221 H ALA 613 H ALA 613 -3.823 2.641 -8.880 222 HA ALA 613 HA ALA 613 -3.029 2.654 -6.801 223 HB1 ALA 613 1HB ALA 613 -1.524 4.444 -7.581 224 HB2 ALA 613 2HB ALA 613 -1.934 4.617 -5.876 225 HB3 ALA 613 3HB ALA 613 -2.706 5.648 -7.077 226 H TYR 614 H TYR 614 -3.295 3.725 -4.580 227 HA TYR 614 HA TYR 614 -6.187 3.841 -4.055 228 HB2 TYR 614 2HB TYR 614 -3.853 3.103 -2.316 229 HB3 TYR 614 1HB TYR 614 -5.481 3.274 -1.686 230 HD1 TYR 614 2HD TYR 614 -3.370 1.393 -4.053 231 HD2 TYR 614 1HD TYR 614 -7.028 1.493 -1.904 232 HE1 TYR 614 2HE TYR 614 -3.777 -0.886 -4.692 233 HE2 TYR 614 1HE TYR 614 -7.475 -0.842 -2.541 234 HH TYR 614 HH TYR 614 -5.086 -2.810 -4.033 235 H LYS 615 H LYS 615 -7.058 5.308 -2.588 236 HA LYS 615 HA LYS 615 -5.358 7.595 -2.022 237 HB2 LYS 615 2HB LYS 615 -7.353 9.070 -2.298 238 HB3 LYS 615 1HB LYS 615 -6.778 8.305 -3.756 239 HG2 LYS 615 2HG LYS 615 -9.110 8.292 -3.845 240 HG3 LYS 615 1HG LYS 615 -8.632 6.635 -3.524 241 HD2 LYS 615 2HD LYS 615 -10.591 7.209 -2.192 242 HD3 LYS 615 1HD LYS 615 -9.200 6.971 -1.133 243 HE2 LYS 615 2HE LYS 615 -8.895 9.379 -0.978 244 HE3 LYS 615 1HE LYS 615 -10.225 9.646 -2.087 245 HZ1 LYS 615 3HZ LYS 615 -11.711 8.566 -0.472 246 HZ2 LYS 615 1HZ LYS 615 -11.019 9.956 0.122 247 HZ3 LYS 615 2HZ LYS 615 -10.440 8.442 0.648 248 H VAL 616 H VAL 616 -5.464 8.588 -0.092 249 HA VAL 616 HA VAL 616 -7.308 7.551 1.970 250 HB VAL 616 HB VAL 616 -4.439 8.406 2.390 251 HG13 VAL 616 1HG VAL 616 -6.338 7.037 4.263 252 HG21 VAL 616 2HG VAL 616 -4.397 6.345 1.109 253 H GLU 617 H GLU 617 -8.280 9.323 3.051 254 HA GLU 617 HA GLU 617 -6.927 11.888 2.699 255 HB2 GLU 617 2HB GLU 617 -9.063 13.020 2.369 256 HB3 GLU 617 1HB GLU 617 -8.754 11.846 1.102 257 HG2 GLU 617 2HG GLU 617 -10.266 10.279 2.188 258 HG3 GLU 617 1HG GLU 617 -10.583 11.461 3.459 259 H THR 618 H THR 618 -6.772 13.099 4.440 260 HA THR 618 HA THR 618 -8.549 12.571 6.679 261 HB THR 618 HB THR 618 -6.608 12.968 8.229 262 HG1 THR 618 1HG THR 618 -5.164 12.768 5.807 263 HG21 THR 618 2HG THR 618 -6.309 10.559 6.423 264 H ASP 619 H ASP 619 -8.131 14.496 8.297 265 HA ASP 619 HA ASP 619 -8.508 16.934 6.867 266 HB2 ASP 619 2HB ASP 619 -8.152 16.358 9.801 267 HB3 ASP 619 1HB ASP 619 -8.355 17.989 9.189 268 H LYS 620 H LYS 620 -5.864 15.251 8.001 269 HA LYS 620 HA LYS 620 -4.087 17.506 8.184 270 HB2 LYS 620 2HB LYS 620 -3.526 14.536 8.174 271 HB3 LYS 620 1HB LYS 620 -2.363 15.803 8.534 272 HG2 LYS 620 2HG LYS 620 -3.594 16.432 10.511 273 HG3 LYS 620 1HG LYS 620 -4.863 15.272 10.124 274 HD2 LYS 620 2HD LYS 620 -3.384 14.395 11.853 275 HD3 LYS 620 1HD LYS 620 -3.257 13.443 10.374 276 HE2 LYS 620 2HE LYS 620 -1.196 14.625 9.791 277 HE3 LYS 620 1HE LYS 620 -1.347 15.609 11.248 278 HZ1 LYS 620 3HZ LYS 620 -0.873 12.657 11.155 279 HZ2 LYS 620 1HZ LYS 620 -1.154 13.565 12.556 280 HZ3 LYS 620 2HZ LYS 620 0.202 13.858 11.611 281 H TYR 621 H TYR 621 -4.059 14.563 6.133 282 HA TYR 621 HA TYR 621 -3.243 16.227 3.840 283 HB2 TYR 621 2HB TYR 621 -1.727 13.722 4.612 284 HB3 TYR 621 1HB TYR 621 -1.347 14.851 3.327 285 HD1 TYR 621 2HD TYR 621 -0.309 17.056 3.905 286 HD2 TYR 621 1HD TYR 621 -1.035 14.071 6.847 287 HE1 TYR 621 2HE TYR 621 1.246 18.189 5.443 288 HE2 TYR 621 1HE TYR 621 0.497 15.167 8.378 289 HH TYR 621 HH TYR 621 2.416 16.692 8.234 290 H GLU 622 H GLU 622 -3.320 14.847 1.816 291 HA GLU 622 HA GLU 622 -4.869 12.434 2.283 292 HB2 GLU 622 2HB GLU 622 -5.795 12.602 0.022 293 HB3 GLU 622 1HB GLU 622 -6.212 14.018 0.963 294 HG2 GLU 622 2HG GLU 622 -4.608 15.335 -0.213 295 HG3 GLU 622 1HG GLU 622 -3.979 13.898 -1.034 296 H PHE 623 H PHE 623 -4.082 10.620 1.522 297 HA PHE 623 HA PHE 623 -1.324 10.794 0.503 298 HB2 PHE 623 2HB PHE 623 -2.557 8.545 2.119 299 HB3 PHE 623 1HB PHE 623 -0.881 8.735 1.660 300 HD1 PHE 623 2HD PHE 623 -3.552 10.093 3.822 301 HD2 PHE 623 1HD PHE 623 0.606 10.050 2.932 302 HE1 PHE 623 2HE PHE 623 -3.102 11.259 5.928 303 HE2 PHE 623 1HE PHE 623 1.065 11.225 5.049 304 HZ PHE 623 HZ PHE 623 -0.787 11.829 6.546 305 H HIS 624 H HIS 624 -0.836 9.604 -1.276 306 HA HIS 624 HA HIS 624 -2.914 7.778 -2.191 307 HB2 HIS 624 2HB HIS 624 -1.143 9.570 -3.892 308 HB3 HIS 624 1HB HIS 624 -2.157 8.286 -4.548 309 HD1 HIS 624 1HD HIS 624 -4.630 8.826 -4.905 310 HD2 HIS 624 2HD HIS 624 -2.636 11.813 -2.802 311 HE1 HIS 624 1HE HIS 624 -6.297 10.693 -4.605 312 HE2 HIS 624 2HE HIS 624 -5.115 12.449 -3.286 313 H ILE 625 H ILE 625 -2.317 5.775 -2.309 314 HA ILE 625 HA ILE 625 0.567 5.150 -2.071 315 HB ILE 625 HB ILE 625 -1.672 3.807 -0.507 316 HG12 ILE 625 1HG ILE 625 0.340 5.866 0.447 317 HG23 ILE 625 2HG ILE 625 1.332 3.588 -0.232 318 HD11 ILE 625 1HD ILE 625 -1.832 4.471 1.992 319 H ASN 626 H ASN 626 1.104 2.988 -2.815 320 HA ASN 626 HA ASN 626 -0.954 1.502 -4.207 321 HB2 ASN 626 2HB ASN 626 0.524 3.098 -5.760 322 HB3 ASN 626 1HB ASN 626 1.731 1.835 -5.516 323 HD21 ASN 626 2HD ASN 626 -0.392 1.182 -8.528 324 H VAL 627 H VAL 627 -0.208 -0.754 -4.460 325 HA VAL 627 HA VAL 627 1.402 -1.584 -2.204 326 HB VAL 627 HB VAL 627 0.335 -3.298 -4.473 327 HG13 VAL 627 1HG VAL 627 2.146 -4.395 -3.266 328 HG21 VAL 627 2HG VAL 627 -1.468 -2.163 -3.307 329 H CYS 628 H CYS 628 1.727 -1.506 -5.562 330 HA CYS 628 HA CYS 628 4.637 -1.608 -5.444 331 HB2 CYS 628 2HB CYS 628 3.010 -3.407 -7.274 332 HB3 CYS 628 1HB CYS 628 4.736 -3.158 -7.378 333 H GLY 629 H GLY 629 5.592 -0.576 -7.273 334 HA2 GLY 629 2HA GLY 629 5.593 0.580 -9.259 335 HA3 GLY 629 1HA GLY 629 3.840 0.422 -9.327 336 HA PRO 630 HA PRO 630 4.635 4.626 -7.770 337 HB2 PRO 630 2HB PRO 630 3.840 5.964 -10.037 338 HB3 PRO 630 1HB PRO 630 5.506 5.539 -9.656 339 HG2 PRO 630 2HG PRO 630 3.876 4.510 -11.783 340 HG3 PRO 630 1HG PRO 630 5.537 4.068 -11.381 341 HD2 PRO 630 2HD PRO 630 3.005 2.692 -10.712 342 HD3 PRO 630 1HD PRO 630 4.648 2.029 -10.840 343 H VAL 631 H VAL 631 3.117 6.401 -7.562 344 HA VAL 631 HA VAL 631 0.329 5.501 -7.783 345 HB VAL 631 HB VAL 631 -0.239 7.238 -6.095 346 HG13 VAL 631 1HG VAL 631 0.771 6.113 -4.190 347 HG21 VAL 631 2HG VAL 631 2.754 7.597 -5.861 348 H SER 632 H SER 632 -1.147 6.653 -8.858 349 HA SER 632 HA SER 632 -0.068 8.792 -10.520 350 HB2 SER 632 2HB SER 632 -2.807 7.498 -10.532 351 HB3 SER 632 1HB SER 632 -2.174 8.598 -11.757 352 HG SER 632 HG SER 632 -0.367 6.794 -11.621 353 H VAL 633 H VAL 633 -0.346 10.873 -9.987 354 HA VAL 633 HA VAL 633 -2.686 11.825 -8.569 355 HB VAL 633 HB VAL 633 0.058 12.539 -7.533 356 HG13 VAL 633 1HG VAL 633 -2.635 12.940 -6.294 357 HG21 VAL 633 2HG VAL 633 -1.719 10.446 -6.269 358 H GLY 634 H GLY 634 -2.759 14.197 -8.824 359 HA2 GLY 634 2HA GLY 634 -1.452 15.056 -11.242 360 HA3 GLY 634 1HA GLY 634 -2.593 15.983 -10.273 361 H ALA 635 H ALA 635 -1.143 15.737 -7.806 362 HA ALA 635 HA ALA 635 0.903 17.759 -8.337 363 HB1 ALA 635 1HB ALA 635 0.703 18.331 -5.984 364 HB2 ALA 635 2HB ALA 635 -0.365 16.954 -5.725 365 HB3 ALA 635 3HB ALA 635 -0.886 18.291 -6.748 366 H CYS 636 H CYS 636 1.138 14.575 -8.297 367 HA CYS 636 HA CYS 636 3.655 14.644 -6.783 368 HB2 CYS 636 2HB CYS 636 1.749 12.277 -6.837 369 HB3 CYS 636 1HB CYS 636 3.303 12.345 -6.060 370 HA PRO 637 HA PRO 637 5.405 13.056 -10.456 371 HB2 PRO 637 2HB PRO 637 7.608 11.788 -9.555 372 HB3 PRO 637 1HB PRO 637 7.450 13.548 -9.497 373 HG2 PRO 637 2HG PRO 637 7.068 11.538 -7.323 374 HG3 PRO 637 1HG PRO 637 7.877 13.113 -7.259 375 HD2 PRO 637 2HD PRO 637 5.334 12.685 -6.384 376 HD3 PRO 637 1HD PRO 637 5.922 14.244 -6.986 377 HA PRO 638 HA PRO 638 3.914 8.760 -10.759 378 HB2 PRO 638 2HB PRO 638 5.279 8.763 -13.372 379 HB3 PRO 638 1HB PRO 638 3.560 8.568 -13.010 380 HG2 PRO 638 2HG PRO 638 4.472 10.794 -14.163 381 HG3 PRO 638 1HG PRO 638 3.173 10.849 -12.961 382 HD2 PRO 638 2HD PRO 638 6.091 11.441 -12.619 383 HD3 PRO 638 1HD PRO 638 4.665 12.344 -12.050 384 H ASP 639 H ASP 639 6.616 9.487 -9.723 385 HA ASP 639 HA ASP 639 8.066 6.995 -10.350 386 HB2 ASP 639 2HB ASP 639 9.324 8.978 -11.063 387 HB3 ASP 639 1HB ASP 639 9.162 9.677 -9.460 388 H SER 640 H SER 640 6.479 8.892 -7.983 389 HA SER 640 HA SER 640 7.732 7.542 -5.749 390 HB2 SER 640 2HB SER 640 6.203 8.979 -4.399 391 HB3 SER 640 1HB SER 640 7.284 9.898 -5.448 392 HG SER 640 HG SER 640 4.891 9.246 -6.624 393 H GLY 641 H GLY 641 6.662 6.072 -4.421 394 HA2 GLY 641 2HA GLY 641 4.261 4.981 -5.662 395 HA3 GLY 641 1HA GLY 641 5.355 4.050 -4.663 396 H ALA 642 H ALA 642 5.180 6.876 -3.135 397 HA ALA 642 HA ALA 642 2.508 6.760 -2.036 398 HB1 ALA 642 1HB ALA 642 3.336 6.756 0.290 399 HB2 ALA 642 2HB ALA 642 4.984 6.532 -0.300 400 HB3 ALA 642 3HB ALA 642 3.776 5.273 -0.551 401 H CYS 643 H CYS 643 1.807 8.804 -1.946 402 HA CYS 643 HA CYS 643 3.672 10.954 -1.311 403 HB2 CYS 643 2HB CYS 643 3.750 10.781 -3.771 404 HB3 CYS 643 1HB CYS 643 2.009 10.934 -3.835 405 H GLN 644 H GLN 644 2.779 12.615 -0.232 406 HA GLN 644 HA GLN 644 -0.108 12.435 0.217 407 HB2 GLN 644 2HB GLN 644 0.221 13.496 2.373 408 HB3 GLN 644 1HB GLN 644 1.214 12.044 2.287 409 HG2 GLN 644 2HG GLN 644 3.163 13.639 1.791 410 HG3 GLN 644 1HG GLN 644 1.994 14.912 2.083 411 HE21 GLN 644 2HE GLN 644 3.872 13.960 5.218 412 H VAL 645 H VAL 645 -1.306 14.120 -0.115 413 HA VAL 645 HA VAL 645 0.003 16.562 -1.047 414 HB VAL 645 HB VAL 645 -2.832 15.607 -1.576 415 HG13 VAL 645 1HG VAL 645 -2.928 17.424 -3.218 416 HG21 VAL 645 2HG VAL 645 -0.444 15.619 -3.426 417 H SER 646 H SER 646 -0.076 18.129 0.342 418 HA SER 646 HA SER 646 -1.579 18.050 2.742 419 HB2 SER 646 2HB SER 646 0.567 19.240 2.598 420 HB3 SER 646 1HB SER 646 -0.100 20.300 1.363 421 HG SER 646 HG SER 646 -0.797 20.131 4.099 422 H ARG 647 H ARG 647 -3.442 19.048 3.200 423 HA ARG 647 HA ARG 647 -4.926 19.909 0.849 424 HB2 ARG 647 2HB ARG 647 -6.020 19.178 3.579 425 HB3 ARG 647 1HB ARG 647 -6.928 19.340 2.075 426 HG2 ARG 647 2HG ARG 647 -5.660 17.417 1.139 427 HG3 ARG 647 1HG ARG 647 -4.848 17.243 2.682 428 HD2 ARG 647 2HD ARG 647 -6.572 15.636 2.645 429 HD3 ARG 647 1HD ARG 647 -7.120 16.922 3.712 430 HE ARG 647 HE ARG 647 -8.012 17.329 1.063 431 HH12 ARG 647 1HH ARG 647 -10.297 15.110 3.611 432 HH21 ARG 647 2HH ARG 647 -11.197 15.865 1.540 433 H SER 648 H SER 648 -3.844 20.897 4.035 434 HA SER 648 HA SER 648 -5.205 23.417 3.889 435 HB2 SER 648 2HB SER 648 -3.120 22.465 5.835 436 HB3 SER 648 1HB SER 648 -4.224 23.823 6.038 437 HG SER 648 HG SER 648 -5.890 22.087 5.616 438 H ASP 649 H ASP 649 -1.847 22.237 3.427 439 HA ASP 649 HA ASP 649 -1.018 25.022 3.001 440 HB2 ASP 649 2HB ASP 649 0.232 23.596 4.633 441 HB3 ASP 649 1HB ASP 649 0.672 22.524 3.315 442 H ARG 650 H ARG 650 -1.931 22.325 1.320 443 HA ARG 650 HA ARG 650 -2.053 21.682 -0.812 444 HB2 ARG 650 2HB ARG 650 -1.568 24.612 -1.357 445 HB3 ARG 650 1HB ARG 650 -1.920 23.456 -2.628 446 HG2 ARG 650 2HG ARG 650 -3.996 24.458 -2.148 447 HG3 ARG 650 1HG ARG 650 -4.000 22.892 -1.328 448 HD2 ARG 650 2HD ARG 650 -3.366 24.033 0.777 449 HD3 ARG 650 1HD ARG 650 -3.506 25.580 -0.055 450 HE ARG 650 HE ARG 650 -5.807 23.806 -0.057 451 HH12 ARG 650 1HH ARG 650 -5.774 27.351 1.908 452 HH21 ARG 650 2HH ARG 650 -7.759 26.033 1.833 453 H LYS 651 H LYS 651 0.581 21.615 0.422 454 HA LYS 651 HA LYS 651 2.204 21.426 -2.029 455 HB2 LYS 651 2HB LYS 651 3.015 21.111 0.849 456 HB3 LYS 651 1HB LYS 651 4.082 20.816 -0.507 457 HG2 LYS 651 2HG LYS 651 3.802 23.168 -1.173 458 HG3 LYS 651 1HG LYS 651 2.815 23.405 0.275 459 HD2 LYS 651 2HD LYS 651 4.668 22.635 1.661 460 HD3 LYS 651 1HD LYS 651 5.648 22.428 0.214 461 HE2 LYS 651 2HE LYS 651 5.522 24.807 -0.237 462 HE3 LYS 651 1HE LYS 651 4.491 25.026 1.178 463 HZ1 LYS 651 3HZ LYS 651 6.787 25.578 1.668 464 HZ2 LYS 651 1HZ LYS 651 7.283 24.018 1.244 465 HZ3 LYS 651 2HZ LYS 651 6.275 24.268 2.577 466 H SER 652 H SER 652 3.737 19.436 -1.901 467 HA SER 652 HA SER 652 2.353 17.125 -0.883 468 HB2 SER 652 2HB SER 652 2.623 15.966 -3.110 469 HB3 SER 652 1HB SER 652 1.411 17.247 -3.084 470 HG SER 652 HG SER 652 2.914 17.194 -4.891 471 H TRP 653 H TRP 653 3.685 15.394 -0.508 472 HA TRP 653 HA TRP 653 6.605 15.719 -0.976 473 HB2 TRP 653 2HB TRP 653 5.319 14.917 1.642 474 HB3 TRP 653 1HB TRP 653 7.043 14.970 1.305 475 HD1 TRP 653 HD TRP 653 8.188 17.439 1.305 476 HE1 TRP 653 1HE TRP 653 7.445 19.636 2.408 477 HE3 TRP 653 3HE TRP 653 3.334 16.255 2.159 478 HZ2 TRP 653 2HZ TRP 653 5.031 20.731 3.504 479 HZ3 TRP 653 3HZ TRP 653 1.865 17.873 3.222 480 HH2 TRP 653 HH TRP 653 2.695 20.095 3.889 481 H ASN 654 H ASN 654 7.735 13.952 -0.930 482 HA ASN 654 HA ASN 654 6.268 11.691 -1.969 483 HB2 ASN 654 2HB ASN 654 8.193 12.868 -3.074 484 HB3 ASN 654 1HB ASN 654 9.205 12.296 -1.768 485 HD21 ASN 654 2HD ASN 654 9.259 10.308 -4.923 486 H LEU 655 H LEU 655 5.929 9.962 -0.657 487 HA LEU 655 HA LEU 655 7.249 9.936 1.938 488 HB2 LEU 655 2HB LEU 655 4.782 8.556 0.948 489 HB3 LEU 655 1HB LEU 655 5.507 8.262 2.504 490 HG LEU 655 HG LEU 655 5.089 10.715 2.989 491 HD13 LEU 655 1HD LEU 655 3.445 10.482 0.591 492 HD21 LEU 655 2HD LEU 655 3.728 8.918 3.927 493 H GLY 656 H GLY 656 7.835 8.686 -0.947 494 HA2 GLY 656 2HA GLY 656 9.760 7.029 -0.287 495 HA3 GLY 656 1HA GLY 656 8.349 6.007 -0.062 496 H ARG 657 H ARG 657 10.619 6.178 -2.001 497 HA ARG 657 HA ARG 657 9.298 6.694 -4.492 498 HB2 ARG 657 2HB ARG 657 11.750 7.167 -4.004 499 HB3 ARG 657 1HB ARG 657 12.000 5.425 -4.033 500 HG2 ARG 657 2HG ARG 657 11.204 5.337 -6.318 501 HG3 ARG 657 1HG ARG 657 10.923 7.075 -6.295 502 HD2 ARG 657 2HD ARG 657 13.359 7.365 -5.806 503 HD3 ARG 657 1HD ARG 657 13.550 5.632 -6.091 504 HE ARG 657 HE ARG 657 12.227 7.205 -8.122 505 HH12 ARG 657 1HH ARG 657 15.882 5.570 -8.691 506 HH21 ARG 657 2HH ARG 657 14.660 6.481 -10.513 507 H SER 658 H SER 658 8.862 4.994 -6.021 508 HA SER 658 HA SER 658 7.579 2.846 -4.963 509 HB2 SER 658 2HB SER 658 8.670 3.282 -7.711 510 HB3 SER 658 1HB SER 658 7.435 2.079 -7.295 511 HG SER 658 HG SER 658 6.035 3.584 -7.029 512 H ASN 659 H ASN 659 8.089 0.927 -4.335 513 HA ASN 659 HA ASN 659 10.311 -0.535 -5.400 514 HB2 ASN 659 2HB ASN 659 11.230 -1.194 -3.254 515 HB3 ASN 659 1HB ASN 659 11.156 0.555 -3.235 516 HD21 ASN 659 2HD ASN 659 9.822 0.111 -0.058 517 H ALA 660 H ALA 660 9.955 -2.861 -4.213 518 HA ALA 660 HA ALA 660 7.053 -3.205 -3.986 519 HB1 ALA 660 1HB ALA 660 8.951 -5.017 -5.478 520 HB2 ALA 660 2HB ALA 660 7.773 -3.915 -6.198 521 HB3 ALA 660 3HB ALA 660 7.214 -5.282 -5.248 522 H LYS 661 H LYS 661 8.908 -2.859 -1.850 523 HA LYS 661 HA LYS 661 9.606 -5.457 -0.837 524 HB2 LYS 661 2HB LYS 661 9.887 -2.721 0.351 525 HB3 LYS 661 1HB LYS 661 10.395 -4.205 1.143 526 HG2 LYS 661 2HG LYS 661 11.972 -4.654 -0.631 527 HG3 LYS 661 1HG LYS 661 11.429 -3.219 -1.503 528 HD2 LYS 661 2HD LYS 661 13.472 -2.765 -0.333 529 HD3 LYS 661 1HD LYS 661 12.130 -1.830 0.343 530 HE2 LYS 661 2HE LYS 661 13.562 -2.716 2.147 531 HE3 LYS 661 1HE LYS 661 11.966 -3.449 2.222 532 HZ1 LYS 661 3HZ LYS 661 14.423 -4.686 1.095 533 HZ2 LYS 661 1HZ LYS 661 12.933 -5.446 1.098 534 HZ3 LYS 661 2HZ LYS 661 13.730 -5.107 2.545 535 H LEU 662 H LEU 662 8.070 -6.665 -0.124 536 HA LEU 662 HA LEU 662 5.990 -5.616 1.636 537 HB2 LEU 662 2HB LEU 662 6.338 -8.272 0.212 538 HB3 LEU 662 1HB LEU 662 5.166 -8.053 1.490 539 HG LEU 662 HG LEU 662 4.160 -8.014 -0.746 540 HD13 LEU 662 1HD LEU 662 3.059 -6.857 1.008 541 HD21 LEU 662 2HD LEU 662 5.769 -5.508 -1.170 542 H SER 663 H SER 663 5.749 -6.638 3.718 543 HA SER 663 HA SER 663 7.938 -8.370 4.547 544 HB2 SER 663 2HB SER 663 7.302 -5.780 6.011 545 HB3 SER 663 1HB SER 663 8.476 -6.994 6.500 546 HG SER 663 HG SER 663 8.878 -6.296 3.962 547 H TYR 664 H TYR 664 7.503 -9.107 6.904 548 HA TYR 664 HA TYR 664 4.630 -9.081 7.475 549 HB2 TYR 664 2HB TYR 664 5.498 -11.249 6.391 550 HB3 TYR 664 1HB TYR 664 6.383 -11.479 7.891 551 HD1 TYR 664 2HD TYR 664 2.962 -10.980 6.561 552 HD2 TYR 664 1HD TYR 664 5.256 -12.619 9.771 553 HE1 TYR 664 2HE TYR 664 0.986 -12.098 7.399 554 HE2 TYR 664 1HE TYR 664 3.290 -13.743 10.592 555 HH TYR 664 HH TYR 664 0.422 -14.054 8.816 556 H TYR 665 H TYR 665 4.334 -8.366 9.414 557 HA TYR 665 HA TYR 665 6.528 -8.434 11.379 558 HB2 TYR 665 2HB TYR 665 5.516 -6.192 10.723 559 HB3 TYR 665 1HB TYR 665 3.976 -6.761 11.346 560 HD1 TYR 665 1HD TYR 665 7.515 -6.595 12.585 561 HD2 TYR 665 2HD TYR 665 3.403 -5.854 13.391 562 HE1 TYR 665 1HE TYR 665 8.106 -5.738 14.806 563 HE2 TYR 665 2HE TYR 665 3.987 -5.001 15.617 564 HH TYR 665 HH TYR 665 7.162 -4.242 16.451 565 H ASP 666 H ASP 666 4.562 -8.075 13.567 566 HA ASP 666 HA ASP 666 4.005 -10.710 14.246 567 HB2 ASP 666 2HB ASP 666 4.179 -8.944 15.922 568 HB3 ASP 666 1HB ASP 666 2.746 -8.156 15.276 569 H GLY 667 H GLY 667 3.018 -11.673 12.560 570 HA2 GLY 667 2HA GLY 667 1.386 -12.527 11.311 571 HA3 GLY 667 1HA GLY 667 0.307 -12.191 12.618 572 H MET 668 H MET 668 2.043 -9.865 10.649 573 HA MET 668 HA MET 668 -0.384 -9.125 9.185 574 HB2 MET 668 2HB MET 668 1.273 -7.192 10.816 575 HB3 MET 668 1HB MET 668 0.034 -6.715 9.672 576 HG2 MET 668 2HG MET 668 -1.666 -7.798 11.042 577 HG3 MET 668 1HG MET 668 -0.424 -8.341 12.167 578 HE1 MET 668 3HE MET 668 0.818 -4.929 13.692 579 HE2 MET 668 1HE MET 668 1.496 -5.753 12.286 580 HE3 MET 668 2HE MET 668 1.009 -6.681 13.701 581 H ILE 669 H ILE 669 0.105 -8.681 7.124 582 HA ILE 669 HA ILE 669 2.856 -8.686 6.287 583 HB ILE 669 HB ILE 669 0.305 -8.303 4.656 584 HG12 ILE 669 1HG ILE 669 2.236 -10.532 4.755 585 HG23 ILE 669 2HG ILE 669 2.310 -7.203 3.606 586 HD11 ILE 669 1HD ILE 669 1.141 -10.592 2.665 587 H GLN 670 H GLN 670 3.943 -7.016 5.503 588 HA GLN 670 HA GLN 670 2.740 -4.345 5.905 589 HB2 GLN 670 2HB GLN 670 5.639 -4.991 6.291 590 HB3 GLN 670 1HB GLN 670 4.803 -3.508 6.704 591 HG2 GLN 670 2HG GLN 670 3.522 -4.753 8.402 592 HG3 GLN 670 1HG GLN 670 4.489 -6.185 8.030 593 HE21 GLN 670 2HE GLN 670 5.937 -3.216 10.288 594 H LEU 671 H LEU 671 3.957 -2.684 4.707 595 HA LEU 671 HA LEU 671 5.367 -3.495 2.260 596 HB2 LEU 671 2HB LEU 671 2.937 -3.173 1.691 597 HB3 LEU 671 1HB LEU 671 3.008 -1.596 2.438 598 HG LEU 671 HG LEU 671 4.592 -0.869 0.647 599 HD13 LEU 671 1HD LEU 671 3.915 -3.534 -0.555 600 HD21 LEU 671 2HD LEU 671 2.217 -0.360 0.501 601 H THR 672 H THR 672 7.056 -1.884 1.913 602 HA THR 672 HA THR 672 6.812 0.429 3.660 603 HB THR 672 HB THR 672 9.260 -1.350 3.687 604 HG1 THR 672 1HG THR 672 6.915 -1.344 5.103 605 HG21 THR 672 2HG THR 672 8.451 1.058 5.341 606 H TYR 673 H TYR 673 7.108 2.045 2.417 607 HA TYR 673 HA TYR 673 9.008 1.844 0.180 608 HB2 TYR 673 2HB TYR 673 6.908 3.944 0.750 609 HB3 TYR 673 1HB TYR 673 8.115 4.076 -0.515 610 HD1 TYR 673 2HD TYR 673 8.219 1.662 -1.864 611 HD2 TYR 673 1HD TYR 673 4.828 3.473 -0.079 612 HE1 TYR 673 2HE TYR 673 6.784 0.482 -3.434 613 HE2 TYR 673 1HE TYR 673 3.370 2.305 -1.652 614 HH TYR 673 HH TYR 673 4.370 -0.298 -3.535 615 H ARG 674 H ARG 674 10.779 3.151 0.066 616 HA ARG 674 HA ARG 674 11.229 5.053 2.234 617 HB2 ARG 674 2HB ARG 674 13.211 2.991 1.195 618 HB3 ARG 674 1HB ARG 674 13.630 4.307 2.270 619 HG2 ARG 674 2HG ARG 674 12.148 3.348 3.998 620 HG3 ARG 674 1HG ARG 674 11.767 2.015 2.905 621 HD2 ARG 674 2HD ARG 674 14.119 1.358 2.865 622 HD3 ARG 674 1HD ARG 674 14.529 2.714 3.910 623 HE ARG 674 HE ARG 674 12.573 1.045 5.121 624 HH12 ARG 674 1HH ARG 674 16.503 0.167 5.686 625 HH21 ARG 674 2HH ARG 674 14.877 -0.652 7.216 626 H ASP 675 H ASP 675 13.387 6.285 1.507 627 HA ASP 675 HA ASP 675 14.510 7.603 0.032 628 HB2 ASP 675 2HB ASP 675 13.194 5.966 -2.147 629 HB3 ASP 675 1HB ASP 675 14.376 7.228 -2.448 630 H GLY 676 H GLY 676 11.733 8.171 0.985 631 HA2 GLY 676 2HA GLY 676 10.577 9.766 -1.093 632 HA3 GLY 676 1HA GLY 676 10.107 9.754 0.600 633 H THR 677 H THR 677 9.899 12.028 0.508 634 HA THR 677 HA THR 677 12.197 13.681 -0.055 635 HB THR 677 HB THR 677 9.425 14.396 0.958 636 HG1 THR 677 1HG THR 677 10.558 14.122 -1.591 637 HG21 THR 677 2HG THR 677 11.072 16.164 1.441 638 HA PRO 678 HA PRO 678 13.217 13.829 4.313 639 HB2 PRO 678 2HB PRO 678 15.429 15.341 4.098 640 HB3 PRO 678 1HB PRO 678 15.422 13.639 3.628 641 HG2 PRO 678 2HG PRO 678 15.327 16.075 1.922 642 HG3 PRO 678 1HG PRO 678 16.126 14.522 1.621 643 HD2 PRO 678 2HD PRO 678 13.675 15.322 0.564 644 HD3 PRO 678 1HD PRO 678 14.259 13.649 0.654 645 H TYR 679 H TYR 679 12.332 15.137 5.740 646 HA TYR 679 HA TYR 679 11.652 17.895 4.993 647 HB2 TYR 679 2HB TYR 679 10.959 16.469 7.583 648 HB3 TYR 679 1HB TYR 679 10.275 17.953 6.936 649 HD1 TYR 679 2HD TYR 679 8.675 17.868 5.069 650 HD2 TYR 679 1HD TYR 679 10.185 14.344 6.893 651 HE1 TYR 679 2HE TYR 679 6.837 16.569 4.087 652 HE2 TYR 679 1HE TYR 679 8.341 13.054 5.917 653 HH TYR 679 HH TYR 679 6.055 13.510 5.136 654 H ASN 680 H ASN 680 11.853 19.366 7.110 655 HA ASN 680 HA ASN 680 14.621 19.453 7.812 656 HB2 ASN 680 2HB ASN 680 12.270 21.027 8.928 657 HB3 ASN 680 1HB ASN 680 13.947 21.305 9.386 658 HD21 ASN 680 2HD ASN 680 12.516 22.705 5.882 659 H ASN 681 H ASN 681 15.423 17.958 8.999 660 HA ASN 681 HA ASN 681 14.196 17.162 11.525 661 HB2 ASN 681 2HB ASN 681 13.225 15.676 9.814 662 HB3 ASN 681 1HB ASN 681 14.829 15.288 9.227 663 HD21 ASN 681 2HD ASN 681 13.259 13.349 12.357 664 H GLU 682 H GLU 682 15.788 16.188 12.913 665 HA GLU 682 HA GLU 682 18.417 17.201 12.582 666 HB2 GLU 682 2HB GLU 682 17.333 16.994 14.762 667 HB3 GLU 682 1HB GLU 682 17.274 15.254 14.562 668 HG2 GLU 682 2HG GLU 682 19.712 15.162 14.628 669 HG3 GLU 682 1HG GLU 682 19.769 16.912 14.847 670 H LYS 683 H LYS 683 16.975 14.072 12.058 671 HA LYS 683 HA LYS 683 19.505 12.682 11.730 672 HB2 LYS 683 2HB LYS 683 17.545 11.552 12.679 673 HB3 LYS 683 1HB LYS 683 16.627 11.875 11.223 674 HG2 LYS 683 2HG LYS 683 18.267 10.439 9.971 675 HG3 LYS 683 1HG LYS 683 18.977 10.003 11.526 676 HD2 LYS 683 2HD LYS 683 16.093 9.549 10.718 677 HD3 LYS 683 1HD LYS 683 17.355 8.318 10.736 678 HE2 LYS 683 2HE LYS 683 16.387 9.853 13.156 679 HE3 LYS 683 1HE LYS 683 15.865 8.235 12.717 680 HZ1 LYS 683 3HZ LYS 683 18.153 7.480 12.961 681 HZ2 LYS 683 1HZ LYS 683 17.610 8.177 14.384 682 HZ3 LYS 683 2HZ LYS 683 18.653 9.021 13.390 683 H ARG 684 H ARG 684 17.383 14.569 9.919 684 HA ARG 684 HA ARG 684 16.796 14.868 7.773 685 HB2 ARG 684 2HB ARG 684 19.629 13.945 7.192 686 HB3 ARG 684 1HB ARG 684 18.538 14.556 5.964 687 HG2 ARG 684 2HG ARG 684 19.922 16.371 6.489 688 HG3 ARG 684 1HG ARG 684 18.389 16.623 7.339 689 HD2 ARG 684 2HD ARG 684 20.350 17.167 8.732 690 HD3 ARG 684 1HD ARG 684 19.356 15.877 9.421 691 HE ARG 684 HE ARG 684 21.271 14.618 7.934 692 HH12 ARG 684 1HH ARG 684 22.783 16.252 11.315 693 HH21 ARG 684 2HH ARG 684 23.871 14.448 10.299 694 H THR 685 H THR 685 15.258 13.541 7.694 695 HA THR 685 HA THR 685 15.876 10.799 6.934 696 HB THR 685 HB THR 685 14.812 10.865 9.084 697 HG1 THR 685 1HG THR 685 13.824 9.151 8.343 698 HG21 THR 685 2HG THR 685 12.574 11.831 9.415 699 HA PRO 686 HA PRO 686 13.636 11.713 3.109 700 HB2 PRO 686 2HB PRO 686 14.512 8.991 2.425 701 HB3 PRO 686 1HB PRO 686 14.877 10.511 1.594 702 HG2 PRO 686 2HG PRO 686 16.760 9.117 2.975 703 HG3 PRO 686 1HG PRO 686 16.785 10.883 2.825 704 HD2 PRO 686 2HD PRO 686 15.854 9.207 5.148 705 HD3 PRO 686 1HD PRO 686 16.768 10.731 5.142 706 H ARG 687 H ARG 687 11.498 11.121 2.898 707 HA ARG 687 HA ARG 687 10.492 9.787 5.067 708 HB2 ARG 687 2HB ARG 687 9.508 11.678 3.835 709 HB3 ARG 687 1HB ARG 687 9.023 10.539 2.596 710 HG2 ARG 687 2HG ARG 687 7.222 11.051 4.093 711 HG3 ARG 687 1HG ARG 687 7.691 9.341 4.197 712 HD2 ARG 687 2HD ARG 687 8.893 11.317 6.111 713 HD3 ARG 687 1HD ARG 687 7.267 10.717 6.448 714 HE ARG 687 HE ARG 687 8.220 8.558 6.663 715 HH12 ARG 687 1HH ARG 687 11.825 10.297 7.416 716 HH21 ARG 687 2HH ARG 687 11.389 8.243 8.292 717 H ALA 688 H ALA 688 9.316 8.044 5.332 718 HA ALA 688 HA ALA 688 9.408 5.924 3.358 719 HB1 ALA 688 1HB ALA 688 11.275 5.572 4.915 720 HB2 ALA 688 2HB ALA 688 10.019 4.357 5.152 721 HB3 ALA 688 3HB ALA 688 10.165 5.704 6.281 722 H THR 689 H THR 689 7.659 4.648 3.447 723 HA THR 689 HA THR 689 5.432 5.364 5.274 724 HB THR 689 HB THR 689 5.279 4.462 2.393 725 HG1 THR 689 1HG THR 689 6.077 6.545 2.632 726 HG21 THR 689 2HG THR 689 3.328 3.829 3.760 727 H LEU 690 H LEU 690 4.678 3.570 6.420 728 HA LEU 690 HA LEU 690 5.301 1.091 5.170 729 HB2 LEU 690 2HB LEU 690 6.742 1.530 7.105 730 HB3 LEU 690 1HB LEU 690 5.336 1.755 8.118 731 HG LEU 690 HG LEU 690 5.906 -0.820 6.726 732 HD13 LEU 690 1HD LEU 690 7.828 -0.262 8.154 733 HD21 LEU 690 2HD LEU 690 3.664 -0.512 7.596 734 H ILE 691 H ILE 691 3.528 0.068 4.631 735 HA ILE 691 HA ILE 691 0.966 0.716 5.898 736 HB ILE 691 HB ILE 691 1.497 -1.035 3.467 737 HG12 ILE 691 1HG ILE 691 0.308 0.637 2.151 738 HG23 ILE 691 2HG ILE 691 -1.109 -0.141 4.597 739 HD11 ILE 691 1HD ILE 691 2.751 1.818 3.436 740 H THR 692 H THR 692 -0.016 -0.772 7.203 741 HA THR 692 HA THR 692 1.240 -3.399 7.346 742 HB THR 692 HB THR 692 -0.317 -1.879 9.465 743 HG1 THR 692 1HG THR 692 2.204 -1.813 8.621 744 HG21 THR 692 2HG THR 692 1.263 -4.463 9.601 745 H PHE 693 H PHE 693 0.007 -4.929 6.520 746 HA PHE 693 HA PHE 693 -2.760 -4.385 5.905 747 HB2 PHE 693 2HB PHE 693 -1.075 -6.821 5.251 748 HB3 PHE 693 1HB PHE 693 -2.637 -6.407 4.566 749 HD1 PHE 693 2HD PHE 693 -2.747 -4.279 3.178 750 HD2 PHE 693 1HD PHE 693 0.838 -6.179 4.233 751 HE1 PHE 693 2HE PHE 693 -1.570 -3.069 1.321 752 HE2 PHE 693 1HE PHE 693 2.029 -5.013 2.404 753 HZ PHE 693 HZ PHE 693 0.800 -3.457 0.948 754 H LEU 694 H LEU 694 -4.138 -4.866 7.405 755 HA LEU 694 HA LEU 694 -3.655 -7.156 9.168 756 HB2 LEU 694 2HB LEU 694 -5.763 -4.973 9.416 757 HB3 LEU 694 1HB LEU 694 -5.545 -6.296 10.531 758 HG LEU 694 HG LEU 694 -3.246 -5.297 11.038 759 HD13 LEU 694 1HD LEU 694 -4.430 -2.917 9.643 760 HD21 LEU 694 2HD LEU 694 -5.092 -5.155 12.590 761 H CYS 695 H CYS 695 -5.423 -8.704 9.317 762 HA CYS 695 HA CYS 695 -6.790 -8.642 6.756 763 HB2 CYS 695 2HB CYS 695 -5.223 -10.532 7.112 764 HB3 CYS 695 1HB CYS 695 -6.226 -11.046 8.461 765 H ASP 696 H ASP 696 -8.651 -7.830 6.985 766 HA ASP 696 HA ASP 696 -10.346 -8.424 9.256 767 HB2 ASP 696 2HB ASP 696 -10.352 -6.174 8.145 768 HB3 ASP 696 1HB ASP 696 -10.971 -6.934 6.681 769 H ARG 697 H ARG 697 -12.146 -9.818 9.094 770 HA ARG 697 HA ARG 697 -11.711 -11.737 7.000 771 HB2 ARG 697 2HB ARG 697 -13.287 -11.989 9.556 772 HB3 ARG 697 1HB ARG 697 -13.141 -13.273 8.355 773 HG2 ARG 697 2HG ARG 697 -10.764 -13.360 8.641 774 HG3 ARG 697 1HG ARG 697 -10.793 -11.959 9.701 775 HD2 ARG 697 2HD ARG 697 -12.032 -13.223 11.356 776 HD3 ARG 697 1HD ARG 697 -12.072 -14.630 10.282 777 HE ARG 697 HE ARG 697 -9.515 -14.317 10.391 778 HH12 ARG 697 1HH ARG 697 -10.581 -14.451 14.303 779 HH21 ARG 697 2HH ARG 697 -8.383 -15.090 13.620 780 H ASP 698 H ASP 698 -12.519 -10.043 5.656 781 HA ASP 698 HA ASP 698 -15.065 -10.901 4.613 782 HB2 ASP 698 2HB ASP 698 -15.656 -8.915 6.014 783 HB3 ASP 698 1HB ASP 698 -14.458 -7.959 5.151 784 H ALA 699 H ALA 699 -14.786 -11.053 2.420 785 HA ALA 699 HA ALA 699 -12.153 -10.869 1.447 786 HB1 ALA 699 1HB ALA 699 -14.648 -11.309 -0.154 787 HB2 ALA 699 2HB ALA 699 -13.769 -12.552 0.733 788 HB3 ALA 699 3HB ALA 699 -12.994 -11.725 -0.621 789 H GLY 700 H GLY 700 -11.129 -9.109 0.991 790 HA2 GLY 700 2HA GLY 700 -12.094 -7.353 -1.083 791 HA3 GLY 700 1HA GLY 700 -11.988 -6.600 0.506 792 H VAL 701 H VAL 701 -10.427 -5.823 -1.818 793 HA VAL 701 HA VAL 701 -7.841 -6.923 -1.563 794 HB VAL 701 HB VAL 701 -7.118 -5.123 -2.962 795 HG13 VAL 701 1HG VAL 701 -8.520 -5.650 -4.967 796 HG21 VAL 701 2HG VAL 701 -9.936 -4.059 -2.793 797 H GLY 702 H GLY 702 -9.485 -4.294 -0.160 798 HA2 GLY 702 2HA GLY 702 -8.789 -3.660 2.078 799 HA3 GLY 702 1HA GLY 702 -7.133 -3.869 1.541 800 H PHE 703 H PHE 703 -8.675 -1.634 2.707 801 HA PHE 703 HA PHE 703 -7.978 0.370 0.705 802 HB2 PHE 703 2HB PHE 703 -10.392 0.239 1.247 803 HB3 PHE 703 1HB PHE 703 -10.016 0.509 2.938 804 HD1 PHE 703 2HD PHE 703 -9.515 2.048 -0.399 805 HD2 PHE 703 1HD PHE 703 -10.131 2.649 3.761 806 HE1 PHE 703 2HE PHE 703 -9.679 4.469 -0.774 807 HE2 PHE 703 1HE PHE 703 -10.299 5.063 3.386 808 HZ PHE 703 HZ PHE 703 -10.068 5.971 1.111 809 HA PRO 704 HA PRO 704 -5.034 1.409 3.905 810 HB2 PRO 704 2HB PRO 704 -3.912 3.577 2.728 811 HB3 PRO 704 1HB PRO 704 -3.543 1.923 2.238 812 HG2 PRO 704 2HG PRO 704 -5.238 3.950 0.893 813 HG3 PRO 704 1HG PRO 704 -4.292 2.627 0.203 814 HD2 PRO 704 2HD PRO 704 -7.066 2.637 0.624 815 HD3 PRO 704 1HD PRO 704 -6.063 1.221 0.259 816 H GLU 705 H GLU 705 -5.161 2.571 5.662 817 HA GLU 705 HA GLU 705 -6.564 5.134 5.660 818 HB2 GLU 705 2HB GLU 705 -6.877 2.860 7.596 819 HB3 GLU 705 1HB GLU 705 -7.561 4.468 7.869 820 HG2 GLU 705 2HG GLU 705 -8.884 4.167 5.772 821 HG3 GLU 705 1HG GLU 705 -8.226 2.550 5.638 822 H TYR 706 H TYR 706 -5.837 6.596 7.195 823 HA TYR 706 HA TYR 706 -3.013 6.299 7.784 824 HB2 TYR 706 2HB TYR 706 -3.882 8.315 6.714 825 HB3 TYR 706 1HB TYR 706 -4.924 8.602 8.098 826 HD1 TYR 706 1HD TYR 706 -1.303 8.022 7.403 827 HD2 TYR 706 2HD TYR 706 -4.222 10.227 9.562 828 HE1 TYR 706 1HE TYR 706 0.463 9.405 8.361 829 HE2 TYR 706 2HE TYR 706 -2.449 11.620 10.534 830 HH TYR 706 HH TYR 706 0.739 11.598 9.360 831 H GLN 707 H GLN 707 -2.231 5.697 9.719 832 HA GLN 707 HA GLN 707 -4.044 5.390 11.943 833 HB2 GLN 707 2HB GLN 707 -1.062 4.968 11.845 834 HB3 GLN 707 1HB GLN 707 -2.098 4.583 13.199 835 HG2 GLN 707 2HG GLN 707 -3.188 2.907 11.826 836 HG3 GLN 707 1HG GLN 707 -2.062 3.325 10.494 837 HE21 GLN 707 2HE GLN 707 -0.057 0.824 11.744 838 H GLU 708 H GLU 708 -0.773 6.598 12.166 839 HA GLU 708 HA GLU 708 -1.495 9.079 13.448 840 HB2 GLU 708 2HB GLU 708 0.122 6.882 14.798 841 HB3 GLU 708 1HB GLU 708 -0.291 8.448 15.473 842 HG2 GLU 708 2HG GLU 708 -2.581 7.808 15.731 843 HG3 GLU 708 1HG GLU 708 -2.329 6.336 14.800 844 H GLU 709 H GLU 709 0.704 10.195 13.730 845 HA GLU 709 HA GLU 709 2.623 8.963 11.912 846 HB2 GLU 709 2HB GLU 709 3.615 11.180 11.555 847 HB3 GLU 709 1HB GLU 709 1.921 11.152 11.102 848 HG2 GLU 709 2HG GLU 709 1.325 12.344 13.108 849 HG3 GLU 709 1HG GLU 709 2.989 12.263 13.690 850 H ASP 710 H ASP 710 4.725 8.790 12.466 851 HA ASP 710 HA ASP 710 5.316 8.851 15.326 852 HB2 ASP 710 2HB ASP 710 5.974 6.943 13.706 853 HB3 ASP 710 1HB ASP 710 7.103 8.068 12.973 854 H ASN 711 H ASN 711 8.200 9.583 14.758 855 HA ASN 711 HA ASN 711 7.927 12.413 14.868 856 HB2 ASN 711 2HB ASN 711 9.903 11.219 15.825 857 HB3 ASN 711 1HB ASN 711 10.424 10.819 14.192 858 HD21 ASN 711 2HD ASN 711 12.445 13.652 14.450 859 H SER 712 H SER 712 8.470 10.138 12.345 860 HA SER 712 HA SER 712 7.809 12.145 10.384 861 HB2 SER 712 2HB SER 712 9.811 11.598 8.969 862 HB3 SER 712 1HB SER 712 10.165 12.486 10.452 863 HG SER 712 HG SER 712 10.332 10.022 11.170 864 H THR 713 H THR 713 8.243 8.742 11.206 865 HA THR 713 HA THR 713 7.529 7.866 8.581 866 HB THR 713 HB THR 713 7.851 6.306 11.168 867 HG1 THR 713 1HG THR 713 9.930 6.391 10.733 868 HG21 THR 713 2HG THR 713 8.132 4.347 9.690 869 H TYR 714 H TYR 714 5.617 7.118 7.879 870 HA TYR 714 HA TYR 714 3.298 7.576 9.602 871 HB2 TYR 714 2HB TYR 714 3.478 7.387 6.592 872 HB3 TYR 714 1HB TYR 714 2.061 7.851 7.514 873 HD1 TYR 714 2HD TYR 714 2.318 10.052 8.957 874 HD2 TYR 714 1HD TYR 714 4.929 9.009 5.747 875 HE1 TYR 714 2HE TYR 714 3.019 12.409 8.740 876 HE2 TYR 714 1HE TYR 714 5.606 11.345 5.540 877 HH TYR 714 HH TYR 714 4.937 13.661 7.873 878 H ASN 715 H ASN 715 2.021 5.828 10.084 879 HA ASN 715 HA ASN 715 2.598 3.272 8.695 880 HB2 ASN 715 2HB ASN 715 2.998 3.571 11.370 881 HB3 ASN 715 1HB ASN 715 1.263 3.439 11.372 882 HD21 ASN 715 2HD ASN 715 1.758 -0.024 9.924 883 H PHE 716 H PHE 716 0.969 2.383 7.650 884 HA PHE 716 HA PHE 716 -1.661 3.648 7.960 885 HB2 PHE 716 2HB PHE 716 -0.263 2.510 5.591 886 HB3 PHE 716 1HB PHE 716 -1.991 2.774 5.528 887 HD1 PHE 716 2HD PHE 716 1.318 4.334 5.728 888 HD2 PHE 716 1HD PHE 716 -2.865 5.036 5.466 889 HE1 PHE 716 2HE PHE 716 1.746 6.692 5.162 890 HE2 PHE 716 1HE PHE 716 -2.438 7.387 4.905 891 HZ PHE 716 HZ PHE 716 -0.133 8.210 4.755 892 H ARG 717 H ARG 717 -3.515 2.485 7.899 893 HA ARG 717 HA ARG 717 -3.337 -0.366 8.594 894 HB2 ARG 717 2HB ARG 717 -5.658 1.565 8.716 895 HB3 ARG 717 1HB ARG 717 -5.742 -0.128 9.146 896 HG2 ARG 717 2HG ARG 717 -4.178 0.262 10.941 897 HG3 ARG 717 1HG ARG 717 -4.114 1.974 10.477 898 HD2 ARG 717 2HD ARG 717 -6.513 2.192 10.903 899 HD3 ARG 717 1HD ARG 717 -6.600 0.489 11.350 900 HE ARG 717 HE ARG 717 -4.701 1.580 12.977 901 HH12 ARG 717 1HH ARG 717 -8.487 2.679 13.992 902 HH21 ARG 717 2HH ARG 717 -6.699 2.859 15.557 903 H TRP 718 H TRP 718 -3.694 -1.692 7.034 904 HA TRP 718 HA TRP 718 -5.556 -0.927 4.880 905 HB2 TRP 718 2HB TRP 718 -3.127 -0.922 4.253 906 HB3 TRP 718 1HB TRP 718 -3.063 -2.622 4.659 907 HD1 TRP 718 HD TRP 718 -5.357 -3.878 3.083 908 HE1 TRP 718 1HE TRP 718 -5.424 -3.800 0.507 909 HE3 TRP 718 3HE TRP 718 -2.296 0.174 2.286 910 HZ2 TRP 718 2HZ TRP 718 -4.324 -2.271 -1.553 911 HZ3 TRP 718 3HZ TRP 718 -1.861 0.857 -0.012 912 HH2 TRP 718 HH TRP 718 -2.848 -0.323 -1.894 913 H TYR 719 H TYR 719 -7.323 -2.230 5.224 914 HA TYR 719 HA TYR 719 -6.825 -4.826 6.466 915 HB2 TYR 719 2HB TYR 719 -9.383 -3.275 6.097 916 HB3 TYR 719 1HB TYR 719 -9.317 -4.905 6.759 917 HD1 TYR 719 1HD TYR 719 -8.365 -1.386 7.353 918 HD2 TYR 719 2HD TYR 719 -8.605 -5.297 8.984 919 HE1 TYR 719 1HE TYR 719 -7.950 -0.465 9.586 920 HE2 TYR 719 2HE TYR 719 -8.192 -4.400 11.217 921 HH TYR 719 HH TYR 719 -7.269 -2.476 12.286 922 H THR 720 H THR 720 -6.429 -6.368 5.152 923 HA THR 720 HA THR 720 -8.047 -6.652 2.751 924 HB THR 720 HB THR 720 -6.043 -5.615 1.946 925 HG1 THR 720 1HG THR 720 -6.188 -6.885 0.410 926 HG21 THR 720 2HG THR 720 -3.833 -6.600 2.255 927 H SER 721 H SER 721 -8.475 -8.693 2.114 928 HA SER 721 HA SER 721 -8.345 -10.776 3.978 929 HB2 SER 721 2HB SER 721 -8.825 -10.886 1.005 930 HB3 SER 721 1HB SER 721 -9.349 -12.068 2.211 931 HG SER 721 HG SER 721 -10.727 -10.572 3.069 932 H TYR 722 H TYR 722 -6.183 -9.657 1.466 933 HA TYR 722 HA TYR 722 -4.803 -12.078 1.009 934 HB2 TYR 722 2HB TYR 722 -3.997 -9.214 0.522 935 HB3 TYR 722 1HB TYR 722 -2.998 -10.586 0.059 936 HD1 TYR 722 1HD TYR 722 -6.141 -8.771 -0.654 937 HD2 TYR 722 2HD TYR 722 -3.575 -11.958 -1.832 938 HE1 TYR 722 1HE TYR 722 -7.340 -8.943 -2.794 939 HE2 TYR 722 2HE TYR 722 -4.768 -12.136 -3.968 940 HH TYR 722 HH TYR 722 -6.960 -11.596 -4.839 941 H ALA 723 H ALA 723 -4.726 -9.921 3.654 942 HA ALA 723 HA ALA 723 -2.086 -10.661 4.534 943 HB1 ALA 723 1HB ALA 723 -4.283 -9.180 5.977 944 HB2 ALA 723 2HB ALA 723 -2.979 -8.455 5.042 945 HB3 ALA 723 3HB ALA 723 -2.615 -9.343 6.521 946 H CYS 724 H CYS 724 -4.627 -12.513 4.281 947 HA CYS 724 HA CYS 724 -4.258 -13.865 6.868 948 HB2 CYS 724 2HB CYS 724 -6.508 -14.012 4.874 949 HB3 CYS 724 1HB CYS 724 -6.245 -15.317 6.015 950 HA PRO 725 HA PRO 725 -2.115 -16.936 4.418 951 HB2 PRO 725 2HB PRO 725 -1.197 -18.316 6.676 952 HB3 PRO 725 1HB PRO 725 -0.335 -17.026 5.841 953 HG2 PRO 725 2HG PRO 725 -1.458 -16.951 8.462 954 HG3 PRO 725 1HG PRO 725 -0.682 -15.629 7.586 955 HD2 PRO 725 2HD PRO 725 -3.552 -16.178 8.001 956 HD3 PRO 725 1HD PRO 725 -2.709 -14.662 7.606 Start of MODEL 11 1 H1 GLU 578 1HT GLU 578 7.243 -24.825 9.971 2 H2 GLU 578 2HT GLU 578 7.455 -25.126 11.637 3 H3 GLU 578 3HT GLU 578 8.791 -24.925 10.636 4 HA GLU 578 HA GLU 578 8.307 -22.676 10.243 5 HB2 GLU 578 2HB GLU 578 5.874 -23.121 12.015 6 HB3 GLU 578 1HB GLU 578 6.463 -21.555 11.523 7 HG2 GLU 578 2HG GLU 578 4.545 -22.165 10.208 8 HG3 GLU 578 1HG GLU 578 5.959 -22.118 9.173 9 H ALA 579 H ALA 579 9.366 -21.238 11.507 10 HA ALA 579 HA ALA 579 10.141 -22.200 14.144 11 HB1 ALA 579 1HB ALA 579 11.833 -20.427 14.104 12 HB2 ALA 579 2HB ALA 579 11.179 -19.821 12.589 13 HB3 ALA 579 3HB ALA 579 11.959 -21.403 12.637 14 H GLU 580 H GLU 580 8.214 -21.846 15.176 15 HA GLU 580 HA GLU 580 7.591 -19.033 15.564 16 HB2 GLU 580 2HB GLU 580 5.168 -19.578 15.567 17 HB3 GLU 580 1HB GLU 580 5.939 -19.822 14.011 18 HG2 GLU 580 2HG GLU 580 5.983 -22.218 14.375 19 HG3 GLU 580 1HG GLU 580 5.310 -21.987 15.990 20 H ALA 581 H ALA 581 7.664 -18.472 17.540 21 HA ALA 581 HA ALA 581 6.541 -20.025 19.657 22 HB1 ALA 581 1HB ALA 581 8.584 -20.006 21.046 23 HB2 ALA 581 2HB ALA 581 9.497 -19.352 19.687 24 HB3 ALA 581 3HB ALA 581 8.813 -20.975 19.590 25 H GLU 582 H GLU 582 5.187 -18.388 20.029 26 HA GLU 582 HA GLU 582 4.355 -16.480 20.809 27 HB2 GLU 582 2HB GLU 582 5.900 -16.627 22.683 28 HB3 GLU 582 1HB GLU 582 7.194 -15.940 21.720 29 HG2 GLU 582 2HG GLU 582 6.254 -14.343 23.332 30 HG3 GLU 582 1HG GLU 582 6.082 -13.801 21.665 31 H PHE 583 H PHE 583 7.452 -15.657 19.365 32 HA PHE 583 HA PHE 583 6.103 -13.606 17.746 33 HB2 PHE 583 2HB PHE 583 7.606 -12.599 19.370 34 HB3 PHE 583 1HB PHE 583 8.898 -13.687 18.897 35 HD1 PHE 583 1HD PHE 583 6.765 -10.926 17.663 36 HD2 PHE 583 2HD PHE 583 10.405 -13.077 17.220 37 HE1 PHE 583 1HE PHE 583 7.565 -9.241 16.063 38 HE2 PHE 583 2HE PHE 583 11.210 -11.400 15.612 39 HZ PHE 583 HZ PHE 583 9.789 -9.478 15.033 40 H LEU 584 H LEU 584 6.385 -13.710 15.588 41 HA LEU 584 HA LEU 584 8.260 -15.723 14.570 42 HB2 LEU 584 2HB LEU 584 5.795 -14.574 13.255 43 HB3 LEU 584 1HB LEU 584 6.950 -15.578 12.419 44 HG LEU 584 HG LEU 584 6.374 -17.428 14.036 45 HD13 LEU 584 1HD LEU 584 5.428 -16.102 15.833 46 HD21 LEU 584 2HD LEU 584 4.158 -16.344 12.321 47 H SER 585 H SER 585 9.542 -15.169 12.769 48 HA SER 585 HA SER 585 10.644 -12.591 13.094 49 HB2 SER 585 2HB SER 585 11.256 -14.734 11.070 50 HB3 SER 585 1HB SER 585 12.276 -13.349 11.471 51 HG SER 585 HG SER 585 12.823 -15.341 12.515 52 H ARG 586 H ARG 586 10.613 -10.891 11.790 53 HA ARG 586 HA ARG 586 8.590 -10.621 9.774 54 HB2 ARG 586 2HB ARG 586 9.042 -8.694 11.175 55 HB3 ARG 586 1HB ARG 586 10.751 -8.744 10.769 56 HG2 ARG 586 2HG ARG 586 10.179 -8.170 8.442 57 HG3 ARG 586 1HG ARG 586 8.484 -8.076 8.904 58 HD2 ARG 586 2HD ARG 586 8.933 -6.247 10.398 59 HD3 ARG 586 1HD ARG 586 10.672 -6.407 10.149 60 HE ARG 586 HE ARG 586 9.772 -5.984 7.659 61 HH12 ARG 586 1HH ARG 586 9.056 -2.670 9.837 62 HH21 ARG 586 2HH ARG 586 9.256 -2.538 7.498 63 H THR 587 H THR 587 8.882 -11.187 7.772 64 HA THR 587 HA THR 587 11.615 -11.447 6.761 65 HB THR 587 HB THR 587 9.083 -12.613 5.544 66 HG1 THR 587 1HG THR 587 9.117 -13.884 7.134 67 HG21 THR 587 2HG THR 587 11.093 -12.385 4.110 68 H GLU 588 H GLU 588 12.257 -10.190 5.016 69 HA GLU 588 HA GLU 588 10.197 -8.452 3.888 70 HB2 GLU 588 2HB GLU 588 12.042 -6.919 3.220 71 HB3 GLU 588 1HB GLU 588 11.911 -7.129 4.955 72 HG2 GLU 588 2HG GLU 588 13.817 -8.652 4.922 73 HG3 GLU 588 1HG GLU 588 13.918 -8.484 3.169 74 H GLY 589 H GLY 589 9.711 -8.533 1.832 75 HA2 GLY 589 2HA GLY 589 11.313 -10.316 0.136 76 HA3 GLY 589 1HA GLY 589 9.561 -10.171 0.039 77 H ASP 590 H ASP 590 10.273 -9.856 -2.233 78 HA ASP 590 HA ASP 590 10.397 -7.045 -2.879 79 HB2 ASP 590 2HB ASP 590 12.779 -7.633 -2.679 80 HB3 ASP 590 1HB ASP 590 12.539 -9.032 -3.706 81 H ASN 591 H ASN 591 10.309 -6.948 -5.463 82 HA ASN 591 HA ASN 591 9.096 -7.330 -7.322 83 HB2 ASN 591 2HB ASN 591 9.614 -10.217 -6.575 84 HB3 ASN 591 1HB ASN 591 8.736 -9.768 -8.029 85 HD21 ASN 591 2HD ASN 591 12.409 -10.227 -8.656 86 H CYS 592 H CYS 592 7.708 -6.960 -4.802 87 HA CYS 592 HA CYS 592 5.560 -6.588 -4.197 88 HB2 CYS 592 2HB CYS 592 5.230 -6.128 -6.650 89 HB3 CYS 592 1HB CYS 592 4.788 -7.816 -6.865 90 H THR 593 H THR 593 6.988 -9.026 -3.565 91 HA THR 593 HA THR 593 4.717 -10.687 -2.889 92 HB THR 593 HB THR 593 6.057 -12.751 -3.372 93 HG1 THR 593 1HG THR 593 7.953 -10.862 -4.144 94 HG21 THR 593 2HG THR 593 5.555 -11.010 -5.794 95 H VAL 594 H VAL 594 5.169 -12.082 -1.081 96 HA VAL 594 HA VAL 594 7.622 -11.525 0.325 97 HB VAL 594 HB VAL 594 6.028 -9.931 1.270 98 HG13 VAL 594 1HG VAL 594 3.926 -11.022 0.746 99 HG21 VAL 594 2HG VAL 594 6.188 -10.493 3.588 100 H PHE 595 H PHE 595 8.478 -13.276 1.147 101 HA PHE 595 HA PHE 595 6.807 -15.602 1.597 102 HB2 PHE 595 2HB PHE 595 8.490 -17.066 0.483 103 HB3 PHE 595 1HB PHE 595 7.695 -15.962 -0.627 104 HD1 PHE 595 1HD PHE 595 8.944 -14.079 -1.604 105 HD2 PHE 595 2HD PHE 595 10.854 -16.930 0.916 106 HE1 PHE 595 1HE PHE 595 11.139 -13.310 -2.403 107 HE2 PHE 595 2HE PHE 595 13.053 -16.156 0.126 108 HZ PHE 595 HZ PHE 595 13.196 -14.348 -1.531 109 H ASP 596 H ASP 596 7.333 -16.699 3.316 110 HA ASP 596 HA ASP 596 9.493 -15.628 5.010 111 HB2 ASP 596 2HB ASP 596 7.041 -17.269 5.663 112 HB3 ASP 596 1HB ASP 596 8.233 -16.793 6.855 113 H SER 597 H SER 597 11.291 -16.743 4.964 114 HA SER 597 HA SER 597 11.517 -19.369 3.959 115 HB2 SER 597 2HB SER 597 13.451 -17.791 5.661 116 HB3 SER 597 1HB SER 597 13.853 -19.171 4.644 117 HG SER 597 HG SER 597 14.240 -17.014 3.746 118 H GLN 598 H GLN 598 11.464 -18.007 7.231 119 HA GLN 598 HA GLN 598 11.862 -20.562 8.362 120 HB2 GLN 598 2HB GLN 598 11.248 -19.429 10.570 121 HB3 GLN 598 1HB GLN 598 12.795 -19.067 9.816 122 HG2 GLN 598 2HG GLN 598 11.809 -17.103 10.835 123 HG3 GLN 598 1HG GLN 598 11.873 -16.890 9.104 124 HE21 GLN 598 2HE GLN 598 8.428 -16.396 8.809 125 H ALA 599 H ALA 599 9.065 -18.892 7.571 126 HA ALA 599 HA ALA 599 7.468 -20.862 9.020 127 HB1 ALA 599 1HB ALA 599 6.804 -18.516 9.205 128 HB2 ALA 599 2HB ALA 599 5.526 -19.513 8.508 129 HB3 ALA 599 3HB ALA 599 6.501 -18.473 7.470 130 H GLY 600 H GLY 600 8.644 -20.341 5.835 131 HA2 GLY 600 2HA GLY 600 8.290 -21.443 3.848 132 HA3 GLY 600 1HA GLY 600 7.404 -22.665 4.760 133 H PHE 601 H PHE 601 6.744 -19.240 4.528 134 HA PHE 601 HA PHE 601 3.986 -19.852 3.661 135 HB2 PHE 601 2HB PHE 601 4.292 -19.129 6.024 136 HB3 PHE 601 1HB PHE 601 5.034 -17.652 5.452 137 HD1 PHE 601 1HD PHE 601 1.940 -19.549 5.739 138 HD2 PHE 601 2HD PHE 601 3.713 -15.844 4.619 139 HE1 PHE 601 1HE PHE 601 -0.276 -18.502 5.705 140 HE2 PHE 601 2HE PHE 601 1.513 -14.807 4.593 141 HZ PHE 601 HZ PHE 601 -0.485 -16.117 5.132 142 H SER 602 H SER 602 3.059 -18.384 2.065 143 HA SER 602 HA SER 602 4.783 -16.229 1.143 144 HB2 SER 602 2HB SER 602 3.776 -18.415 -0.664 145 HB3 SER 602 1HB SER 602 4.545 -16.924 -1.216 146 HG SER 602 HG SER 602 5.927 -18.219 0.735 147 H PHE 603 H PHE 603 3.794 -14.470 0.265 148 HA PHE 603 HA PHE 603 1.010 -14.632 -0.631 149 HB2 PHE 603 2HB PHE 603 2.127 -12.574 1.271 150 HB3 PHE 603 1HB PHE 603 0.815 -12.173 0.191 151 HD1 PHE 603 2HD PHE 603 -0.892 -14.531 0.362 152 HD2 PHE 603 1HD PHE 603 1.305 -12.521 3.390 153 HE1 PHE 603 2HE PHE 603 -2.548 -15.238 2.020 154 HE2 PHE 603 1HE PHE 603 -0.347 -13.239 5.065 155 HZ PHE 603 HZ PHE 603 -2.279 -14.597 4.382 156 H ASP 604 H ASP 604 0.575 -13.426 -2.436 157 HA ASP 604 HA ASP 604 2.607 -11.505 -3.270 158 HB2 ASP 604 2HB ASP 604 2.305 -12.036 -5.627 159 HB3 ASP 604 1HB ASP 604 2.663 -13.542 -4.804 160 H LEU 605 H LEU 605 1.792 -9.552 -3.840 161 HA LEU 605 HA LEU 605 -1.132 -9.334 -3.445 162 HB2 LEU 605 2HB LEU 605 1.003 -7.389 -2.586 163 HB3 LEU 605 1HB LEU 605 -0.724 -7.237 -2.295 164 HG LEU 605 HG LEU 605 1.015 -9.431 -1.158 165 HD13 LEU 605 1HD LEU 605 1.621 -7.295 -0.242 166 HD21 LEU 605 2HD LEU 605 -0.932 -9.907 0.289 167 H THR 606 H THR 606 0.556 -9.532 -5.903 168 HA THR 606 HA THR 606 0.703 -7.132 -7.187 169 HB THR 606 HB THR 606 0.285 -9.904 -8.330 170 HG1 THR 606 1HG THR 606 2.440 -8.494 -7.213 171 HG21 THR 606 2HG THR 606 -0.015 -8.083 -9.951 172 HA PRO 607 HA PRO 607 -3.829 -7.880 -8.940 173 HB2 PRO 607 2HB PRO 607 -5.123 -9.514 -6.859 174 HB3 PRO 607 1HB PRO 607 -5.183 -9.702 -8.612 175 HG2 PRO 607 2HG PRO 607 -3.847 -11.427 -7.061 176 HG3 PRO 607 1HG PRO 607 -3.264 -10.973 -8.673 177 HD2 PRO 607 2HD PRO 607 -2.348 -10.016 -5.987 178 HD3 PRO 607 1HD PRO 607 -1.382 -10.454 -7.409 179 H LEU 608 H LEU 608 -2.815 -7.390 -5.755 180 HA LEU 608 HA LEU 608 -5.197 -5.983 -4.865 181 HB2 LEU 608 2HB LEU 608 -3.434 -7.558 -3.515 182 HB3 LEU 608 1HB LEU 608 -2.595 -6.024 -3.414 183 HG LEU 608 HG LEU 608 -5.364 -6.444 -2.312 184 HD13 LEU 608 1HD LEU 608 -4.250 -6.563 -0.142 185 HD21 LEU 608 2HD LEU 608 -3.266 -4.431 -1.768 186 H THR 609 H THR 609 -2.212 -5.448 -6.458 187 HA THR 609 HA THR 609 -1.751 -2.719 -5.732 188 HB THR 609 HB THR 609 -0.677 -4.367 -8.046 189 HG1 THR 609 1HG THR 609 -0.269 -5.029 -5.675 190 HG21 THR 609 2HG THR 609 0.400 -1.852 -6.752 191 H LYS 610 H LYS 610 -2.538 -0.893 -6.796 192 HA LYS 610 HA LYS 610 -4.302 -1.385 -9.102 193 HB2 LYS 610 2HB LYS 610 -4.321 0.880 -7.129 194 HB3 LYS 610 1HB LYS 610 -5.371 0.781 -8.513 195 HG2 LYS 610 2HG LYS 610 -6.283 -1.394 -7.524 196 HG3 LYS 610 1HG LYS 610 -5.354 -0.986 -6.092 197 HD2 LYS 610 2HD LYS 610 -6.555 1.087 -5.794 198 HD3 LYS 610 1HD LYS 610 -7.432 0.828 -7.302 199 HE2 LYS 610 2HE LYS 610 -8.492 -1.168 -6.342 200 HE3 LYS 610 1HE LYS 610 -7.595 -0.923 -4.847 201 HZ1 LYS 610 3HZ LYS 610 -9.609 0.965 -5.968 202 HZ2 LYS 610 1HZ LYS 610 -8.772 1.185 -4.529 203 HZ3 LYS 610 2HZ LYS 610 -9.867 -0.078 -4.689 204 H LYS 611 H LYS 611 -4.117 -0.090 -10.898 205 HA LYS 611 HA LYS 611 -1.573 1.170 -11.321 206 HB2 LYS 611 2HB LYS 611 -2.399 1.692 -13.566 207 HB3 LYS 611 1HB LYS 611 -2.715 0.011 -13.168 208 HG2 LYS 611 2HG LYS 611 -5.042 0.542 -12.707 209 HG3 LYS 611 1HG LYS 611 -4.733 2.245 -13.033 210 HD2 LYS 611 2HD LYS 611 -4.133 1.659 -15.347 211 HD3 LYS 611 1HD LYS 611 -4.488 -0.034 -14.997 212 HE2 LYS 611 2HE LYS 611 -6.808 0.573 -14.459 213 HE3 LYS 611 1HE LYS 611 -6.445 2.258 -14.826 214 HZ1 LYS 611 3HZ LYS 611 -5.944 1.598 -17.101 215 HZ2 LYS 611 1HZ LYS 611 -7.514 1.196 -16.698 216 HZ3 LYS 611 2HZ LYS 611 -6.319 -0.004 -16.740 217 H ASP 612 H ASP 612 -4.662 2.174 -10.264 218 HA ASP 612 HA ASP 612 -4.154 5.017 -10.785 219 HB2 ASP 612 2HB ASP 612 -6.566 3.614 -9.629 220 HB3 ASP 612 1HB ASP 612 -6.428 5.353 -9.781 221 H ALA 613 H ALA 613 -3.640 2.768 -8.437 222 HA ALA 613 HA ALA 613 -2.885 2.772 -6.326 223 HB1 ALA 613 1HB ALA 613 -1.366 4.540 -7.112 224 HB2 ALA 613 2HB ALA 613 -1.773 4.719 -5.404 225 HB3 ALA 613 3HB ALA 613 -2.537 5.757 -6.609 226 H TYR 614 H TYR 614 -3.197 3.692 -4.111 227 HA TYR 614 HA TYR 614 -6.066 3.932 -3.596 228 HB2 TYR 614 2HB TYR 614 -3.706 3.147 -1.902 229 HB3 TYR 614 1HB TYR 614 -5.331 3.303 -1.255 230 HD1 TYR 614 2HD TYR 614 -3.300 1.483 -3.795 231 HD2 TYR 614 1HD TYR 614 -6.815 1.524 -1.417 232 HE1 TYR 614 2HE TYR 614 -3.804 -0.819 -4.505 233 HE2 TYR 614 1HE TYR 614 -7.309 -0.762 -2.111 234 HH TYR 614 HH TYR 614 -5.107 -2.719 -3.853 235 H LYS 615 H LYS 615 -6.909 5.553 -2.282 236 HA LYS 615 HA LYS 615 -5.012 7.555 -1.421 237 HB2 LYS 615 2HB LYS 615 -6.649 9.360 -1.766 238 HB3 LYS 615 1HB LYS 615 -6.110 8.657 -3.271 239 HG2 LYS 615 2HG LYS 615 -8.579 7.500 -2.170 240 HG3 LYS 615 1HG LYS 615 -8.675 9.207 -2.577 241 HD2 LYS 615 2HD LYS 615 -9.334 7.649 -4.441 242 HD3 LYS 615 1HD LYS 615 -8.035 8.775 -4.869 243 HE2 LYS 615 2HE LYS 615 -6.445 7.035 -4.330 244 HE3 LYS 615 1HE LYS 615 -7.705 5.967 -3.941 245 HZ1 LYS 615 3HZ LYS 615 -6.963 5.524 -6.217 246 HZ2 LYS 615 1HZ LYS 615 -7.327 7.112 -6.672 247 HZ3 LYS 615 2HZ LYS 615 -8.566 6.050 -6.226 248 H VAL 616 H VAL 616 -5.161 8.167 0.266 249 HA VAL 616 HA VAL 616 -7.341 7.462 2.181 250 HB VAL 616 HB VAL 616 -4.526 8.322 2.894 251 HG13 VAL 616 1HG VAL 616 -5.011 7.424 5.119 252 HG21 VAL 616 2HG VAL 616 -4.019 5.966 3.404 253 H GLU 617 H GLU 617 -8.537 9.236 2.688 254 HA GLU 617 HA GLU 617 -7.293 11.834 2.139 255 HB2 GLU 617 2HB GLU 617 -10.198 11.084 1.887 256 HB3 GLU 617 1HB GLU 617 -9.534 12.683 1.604 257 HG2 GLU 617 2HG GLU 617 -8.198 11.817 -0.243 258 HG3 GLU 617 1HG GLU 617 -8.844 10.203 0.044 259 H THR 618 H THR 618 -7.166 13.273 3.669 260 HA THR 618 HA THR 618 -8.982 13.123 5.948 261 HB THR 618 HB THR 618 -7.151 13.959 7.419 262 HG1 THR 618 1HG THR 618 -5.683 13.860 5.019 263 HG21 THR 618 2HG THR 618 -5.692 11.980 7.509 264 H ASP 619 H ASP 619 -8.714 15.526 7.011 265 HA ASP 619 HA ASP 619 -9.536 17.224 4.872 266 HB2 ASP 619 2HB ASP 619 -9.180 17.822 7.808 267 HB3 ASP 619 1HB ASP 619 -9.782 18.986 6.633 268 H LYS 620 H LYS 620 -6.658 16.895 6.759 269 HA LYS 620 HA LYS 620 -5.537 19.305 5.648 270 HB2 LYS 620 2HB LYS 620 -4.259 17.183 7.363 271 HB3 LYS 620 1HB LYS 620 -3.469 18.660 6.837 272 HG2 LYS 620 2HG LYS 620 -5.108 19.984 8.057 273 HG3 LYS 620 1HG LYS 620 -5.932 18.511 8.565 274 HD2 LYS 620 2HD LYS 620 -4.505 19.321 10.355 275 HD3 LYS 620 1HD LYS 620 -3.884 17.794 9.732 276 HE2 LYS 620 2HE LYS 620 -2.215 19.020 8.404 277 HE3 LYS 620 1HE LYS 620 -2.847 20.546 9.030 278 HZ1 LYS 620 3HZ LYS 620 -1.562 18.381 10.609 279 HZ2 LYS 620 1HZ LYS 620 -2.224 19.777 11.267 280 HZ3 LYS 620 2HZ LYS 620 -0.890 19.884 10.244 281 H TYR 621 H TYR 621 -4.973 15.792 5.219 282 HA TYR 621 HA TYR 621 -3.467 16.480 2.758 283 HB2 TYR 621 2HB TYR 621 -2.693 14.233 4.613 284 HB3 TYR 621 1HB TYR 621 -1.816 14.825 3.218 285 HD1 TYR 621 2HD TYR 621 -0.776 17.166 3.394 286 HD2 TYR 621 1HD TYR 621 -2.289 15.017 6.732 287 HE1 TYR 621 2HE TYR 621 0.544 18.589 4.900 288 HE2 TYR 621 1HE TYR 621 -0.995 16.398 8.248 289 HH TYR 621 HH TYR 621 0.979 17.811 8.198 290 H GLU 622 H GLU 622 -3.313 14.655 1.311 291 HA GLU 622 HA GLU 622 -5.008 12.415 1.953 292 HB2 GLU 622 2HB GLU 622 -5.664 12.233 -0.439 293 HB3 GLU 622 1HB GLU 622 -6.336 13.641 0.369 294 HG2 GLU 622 2HG GLU 622 -4.678 15.045 -0.697 295 HG3 GLU 622 1HG GLU 622 -3.960 13.618 -1.458 296 H PHE 623 H PHE 623 -4.153 10.541 1.526 297 HA PHE 623 HA PHE 623 -1.305 10.659 0.773 298 HB2 PHE 623 2HB PHE 623 -2.695 8.552 2.453 299 HB3 PHE 623 1HB PHE 623 -0.982 8.762 2.201 300 HD1 PHE 623 2HD PHE 623 -3.948 10.247 3.842 301 HD2 PHE 623 1HD PHE 623 0.284 10.259 3.517 302 HE1 PHE 623 2HE PHE 623 -3.808 11.662 5.840 303 HE2 PHE 623 1HE PHE 623 0.436 11.675 5.517 304 HZ PHE 623 HZ PHE 623 -1.611 12.380 6.682 305 H HIS 624 H HIS 624 -0.777 9.644 -1.030 306 HA HIS 624 HA HIS 624 -2.658 7.660 -2.024 307 HB2 HIS 624 2HB HIS 624 -0.683 9.396 -3.513 308 HB3 HIS 624 1HB HIS 624 -1.572 8.067 -4.256 309 HD1 HIS 624 1HD HIS 624 -4.044 8.442 -4.769 310 HD2 HIS 624 2HD HIS 624 -2.247 11.705 -2.934 311 HE1 HIS 624 1HE HIS 624 -5.699 10.260 -4.955 312 HE2 HIS 624 2HE HIS 624 -4.685 12.220 -3.706 313 H ILE 625 H ILE 625 -2.094 5.692 -1.914 314 HA ILE 625 HA ILE 625 0.760 4.975 -1.693 315 HB ILE 625 HB ILE 625 -1.495 3.728 -0.080 316 HG12 ILE 625 1HG ILE 625 0.574 5.747 0.846 317 HG23 ILE 625 2HG ILE 625 0.325 2.682 1.209 318 HD11 ILE 625 1HD ILE 625 0.098 4.082 2.583 319 H ASN 626 H ASN 626 1.132 2.804 -2.465 320 HA ASN 626 HA ASN 626 -1.119 1.445 -3.636 321 HB2 ASN 626 2HB ASN 626 -0.055 2.893 -5.438 322 HB3 ASN 626 1HB ASN 626 1.426 1.953 -5.201 323 HD21 ASN 626 2HD ASN 626 0.123 0.267 -7.970 324 H VAL 627 H VAL 627 -0.581 -0.794 -3.999 325 HA VAL 627 HA VAL 627 0.638 -1.821 -1.682 326 HB VAL 627 HB VAL 627 0.022 -3.345 -4.196 327 HG13 VAL 627 1HG VAL 627 -0.300 -5.242 -2.703 328 HG21 VAL 627 2HG VAL 627 -2.155 -3.728 -3.271 329 H CYS 628 H CYS 628 1.716 -1.550 -4.887 330 HA CYS 628 HA CYS 628 4.445 -2.188 -4.142 331 HB2 CYS 628 2HB CYS 628 3.012 -3.575 -6.423 332 HB3 CYS 628 1HB CYS 628 4.698 -3.779 -5.986 333 H GLY 629 H GLY 629 5.841 -1.001 -5.372 334 HA2 GLY 629 2HA GLY 629 6.648 0.114 -7.228 335 HA3 GLY 629 1HA GLY 629 5.110 -0.179 -8.028 336 HA PRO 630 HA PRO 630 5.016 4.218 -7.017 337 HB2 PRO 630 2HB PRO 630 4.341 5.131 -9.405 338 HB3 PRO 630 1HB PRO 630 5.976 4.565 -9.070 339 HG2 PRO 630 2HG PRO 630 3.835 3.274 -10.655 340 HG3 PRO 630 1HG PRO 630 5.590 3.115 -10.791 341 HD2 PRO 630 2HD PRO 630 3.759 1.354 -9.458 342 HD3 PRO 630 1HD PRO 630 5.527 1.218 -9.556 343 H VAL 631 H VAL 631 3.429 5.803 -7.092 344 HA VAL 631 HA VAL 631 0.686 4.780 -7.231 345 HB VAL 631 HB VAL 631 0.056 6.720 -5.799 346 HG13 VAL 631 1HG VAL 631 2.256 5.005 -4.718 347 HG21 VAL 631 2HG VAL 631 1.860 8.272 -6.426 348 H SER 632 H SER 632 -0.740 5.703 -8.655 349 HA SER 632 HA SER 632 0.377 7.709 -10.428 350 HB2 SER 632 2HB SER 632 -0.987 5.800 -11.321 351 HB3 SER 632 1HB SER 632 -2.367 6.423 -10.427 352 HG SER 632 HG SER 632 -2.166 6.985 -12.699 353 H VAL 633 H VAL 633 0.030 9.816 -10.124 354 HA VAL 633 HA VAL 633 -2.298 10.837 -8.720 355 HB VAL 633 HB VAL 633 0.480 11.564 -7.778 356 HG13 VAL 633 1HG VAL 633 -2.205 12.209 -6.601 357 HG21 VAL 633 2HG VAL 633 0.113 9.273 -7.067 358 H GLY 634 H GLY 634 -2.543 13.082 -9.228 359 HA2 GLY 634 2HA GLY 634 -1.277 13.895 -11.630 360 HA3 GLY 634 1HA GLY 634 -2.375 14.859 -10.649 361 H ALA 635 H ALA 635 -1.048 14.920 -8.263 362 HA ALA 635 HA ALA 635 1.077 16.807 -8.904 363 HB1 ALA 635 1HB ALA 635 0.782 17.631 -6.646 364 HB2 ALA 635 2HB ALA 635 -0.316 16.298 -6.286 365 HB3 ALA 635 3HB ALA 635 -0.774 17.520 -7.474 366 H CYS 636 H CYS 636 1.409 13.669 -8.625 367 HA CYS 636 HA CYS 636 3.873 13.964 -7.069 368 HB2 CYS 636 2HB CYS 636 2.032 11.551 -6.751 369 HB3 CYS 636 1HB CYS 636 3.584 11.789 -5.996 370 HA PRO 637 HA PRO 637 5.737 12.159 -10.593 371 HB2 PRO 637 2HB PRO 637 7.948 11.002 -9.505 372 HB3 PRO 637 1HB PRO 637 7.777 12.748 -9.710 373 HG2 PRO 637 2HG PRO 637 7.332 11.081 -7.265 374 HG3 PRO 637 1HG PRO 637 8.174 12.634 -7.416 375 HD2 PRO 637 2HD PRO 637 5.655 12.453 -6.500 376 HD3 PRO 637 1HD PRO 637 6.210 13.835 -7.464 377 HA PRO 638 HA PRO 638 4.344 7.923 -10.799 378 HB2 PRO 638 2HB PRO 638 5.476 7.198 -13.141 379 HB3 PRO 638 1HB PRO 638 4.133 8.347 -13.065 380 HG2 PRO 638 2HG PRO 638 7.072 8.893 -13.305 381 HG3 PRO 638 1HG PRO 638 5.727 9.606 -14.218 382 HD2 PRO 638 2HD PRO 638 6.882 10.879 -12.131 383 HD3 PRO 638 1HD PRO 638 5.153 11.034 -12.505 384 H ASP 639 H ASP 639 7.055 8.592 -9.521 385 HA ASP 639 HA ASP 639 8.002 5.827 -9.513 386 HB2 ASP 639 2HB ASP 639 9.550 7.224 -10.911 387 HB3 ASP 639 1HB ASP 639 9.849 8.231 -9.499 388 H SER 640 H SER 640 6.497 8.052 -7.860 389 HA SER 640 HA SER 640 7.822 7.461 -5.336 390 HB2 SER 640 2HB SER 640 6.195 9.078 -4.334 391 HB3 SER 640 1HB SER 640 7.165 9.827 -5.592 392 HG SER 640 HG SER 640 5.232 9.322 -7.007 393 H GLY 641 H GLY 641 6.869 6.076 -3.863 394 HA2 GLY 641 2HA GLY 641 4.623 4.636 -5.046 395 HA3 GLY 641 1HA GLY 641 5.801 3.890 -3.989 396 H ALA 642 H ALA 642 5.318 6.767 -2.709 397 HA ALA 642 HA ALA 642 2.669 6.553 -1.637 398 HB1 ALA 642 1HB ALA 642 3.447 6.685 0.710 399 HB2 ALA 642 2HB ALA 642 5.111 6.488 0.161 400 HB3 ALA 642 3HB ALA 642 3.955 5.174 -0.045 401 H CYS 643 H CYS 643 1.926 8.595 -1.660 402 HA CYS 643 HA CYS 643 3.787 10.797 -1.182 403 HB2 CYS 643 2HB CYS 643 3.839 10.421 -3.612 404 HB3 CYS 643 1HB CYS 643 2.097 10.597 -3.674 405 H GLN 644 H GLN 644 2.846 12.517 -0.146 406 HA GLN 644 HA GLN 644 -0.055 12.327 0.163 407 HB2 GLN 644 2HB GLN 644 0.145 13.556 2.291 408 HB3 GLN 644 1HB GLN 644 1.012 12.048 2.354 409 HG2 GLN 644 2HG GLN 644 3.111 13.282 2.038 410 HG3 GLN 644 1HG GLN 644 2.170 14.776 1.937 411 HE21 GLN 644 2HE GLN 644 3.464 14.100 5.430 412 H VAL 645 H VAL 645 -1.273 13.915 -0.428 413 HA VAL 645 HA VAL 645 0.027 16.365 -1.371 414 HB VAL 645 HB VAL 645 -2.666 15.209 -2.184 415 HG13 VAL 645 1HG VAL 645 -2.644 16.916 -3.945 416 HG21 VAL 645 2HG VAL 645 -0.066 15.257 -3.721 417 H SER 646 H SER 646 -0.353 18.057 -0.134 418 HA SER 646 HA SER 646 -2.230 17.926 2.002 419 HB2 SER 646 2HB SER 646 -0.138 19.160 2.287 420 HB3 SER 646 1HB SER 646 -0.568 20.228 0.956 421 HG SER 646 HG SER 646 -1.393 20.251 3.584 422 H ARG 647 H ARG 647 -4.110 18.889 2.145 423 HA ARG 647 HA ARG 647 -5.265 19.857 -0.354 424 HB2 ARG 647 2HB ARG 647 -6.570 18.843 2.182 425 HB3 ARG 647 1HB ARG 647 -7.442 19.384 0.747 426 HG2 ARG 647 2HG ARG 647 -6.500 17.633 -0.573 427 HG3 ARG 647 1HG ARG 647 -5.435 17.149 0.737 428 HD2 ARG 647 2HD ARG 647 -7.283 15.608 0.531 429 HD3 ARG 647 1HD ARG 647 -7.381 16.473 2.050 430 HE ARG 647 HE ARG 647 -9.123 17.851 1.014 431 HH12 ARG 647 1HH ARG 647 -9.910 14.396 -1.038 432 HH21 ARG 647 2HH ARG 647 -11.717 15.869 -0.375 433 H SER 648 H SER 648 -4.450 20.743 2.903 434 HA SER 648 HA SER 648 -5.871 23.231 2.806 435 HB2 SER 648 2HB SER 648 -3.801 22.212 4.756 436 HB3 SER 648 1HB SER 648 -4.836 23.621 4.987 437 HG SER 648 HG SER 648 -6.468 21.728 4.388 438 H ASP 649 H ASP 649 -2.464 22.159 2.469 439 HA ASP 649 HA ASP 649 -1.684 24.933 1.824 440 HB2 ASP 649 2HB ASP 649 0.002 22.508 2.490 441 HB3 ASP 649 1HB ASP 649 0.678 24.029 1.936 442 H ARG 650 H ARG 650 -2.597 22.147 0.315 443 HA ARG 650 HA ARG 650 -2.328 21.142 -1.666 444 HB2 ARG 650 2HB ARG 650 -2.017 24.016 -2.442 445 HB3 ARG 650 1HB ARG 650 -2.185 22.715 -3.617 446 HG2 ARG 650 2HG ARG 650 -4.330 22.114 -2.669 447 HG3 ARG 650 1HG ARG 650 -4.161 23.381 -1.452 448 HD2 ARG 650 2HD ARG 650 -5.591 24.037 -3.284 449 HD3 ARG 650 1HD ARG 650 -4.139 25.046 -3.146 450 HE ARG 650 HE ARG 650 -3.325 23.308 -4.951 451 HH12 ARG 650 1HH ARG 650 -6.681 24.921 -6.518 452 HH21 ARG 650 2HH ARG 650 -4.957 24.041 -7.935 453 H LYS 651 H LYS 651 0.117 21.505 -0.107 454 HA LYS 651 HA LYS 651 2.154 21.411 -2.178 455 HB2 LYS 651 2HB LYS 651 2.378 21.174 0.819 456 HB3 LYS 651 1HB LYS 651 3.733 21.110 -0.292 457 HG2 LYS 651 2HG LYS 651 3.260 23.365 -1.021 458 HG3 LYS 651 1HG LYS 651 1.860 23.383 0.060 459 HD2 LYS 651 2HD LYS 651 3.353 23.094 1.990 460 HD3 LYS 651 1HD LYS 651 4.745 23.050 0.909 461 HE2 LYS 651 2HE LYS 651 4.204 25.356 0.184 462 HE3 LYS 651 1HE LYS 651 2.872 25.367 1.337 463 HZ1 LYS 651 3HZ LYS 651 4.824 26.456 2.241 464 HZ2 LYS 651 1HZ LYS 651 5.746 25.086 2.006 465 HZ3 LYS 651 2HZ LYS 651 4.498 25.067 3.136 466 H SER 652 H SER 652 3.633 19.584 -2.064 467 HA SER 652 HA SER 652 2.288 17.138 -1.230 468 HB2 SER 652 2HB SER 652 2.942 16.094 -3.439 469 HB3 SER 652 1HB SER 652 1.668 17.310 -3.529 470 HG SER 652 HG SER 652 3.194 18.805 -4.185 471 H TRP 653 H TRP 653 3.593 15.478 -0.642 472 HA TRP 653 HA TRP 653 6.536 15.761 -0.826 473 HB2 TRP 653 2HB TRP 653 5.083 15.171 1.764 474 HB3 TRP 653 1HB TRP 653 6.818 15.264 1.521 475 HD1 TRP 653 HD TRP 653 7.864 17.770 1.382 476 HE1 TRP 653 1HE TRP 653 6.956 20.013 2.265 477 HE3 TRP 653 3HE TRP 653 3.010 16.439 2.098 478 HZ2 TRP 653 2HZ TRP 653 4.473 21.068 3.149 479 HZ3 TRP 653 3HZ TRP 653 1.434 18.074 2.955 480 HH2 TRP 653 HH TRP 653 2.147 20.368 3.478 481 H ASN 654 H ASN 654 7.592 14.017 -0.810 482 HA ASN 654 HA ASN 654 6.118 11.712 -1.693 483 HB2 ASN 654 2HB ASN 654 8.111 12.813 -2.777 484 HB3 ASN 654 1HB ASN 654 9.066 12.228 -1.431 485 HD21 ASN 654 2HD ASN 654 9.151 10.162 -4.531 486 H LEU 655 H LEU 655 5.693 10.100 -0.323 487 HA LEU 655 HA LEU 655 6.731 10.092 2.441 488 HB2 LEU 655 2HB LEU 655 4.537 8.667 1.003 489 HB3 LEU 655 1HB LEU 655 4.986 8.333 2.659 490 HG LEU 655 HG LEU 655 4.213 11.104 1.865 491 HD13 LEU 655 1HD LEU 655 2.429 8.777 2.740 492 HD21 LEU 655 2HD LEU 655 3.965 9.503 4.390 493 H GLY 656 H GLY 656 7.398 8.654 -0.495 494 HA2 GLY 656 2HA GLY 656 9.526 7.309 0.339 495 HA3 GLY 656 1HA GLY 656 8.237 6.147 0.569 496 H ARG 657 H ARG 657 10.511 6.383 -1.287 497 HA ARG 657 HA ARG 657 9.356 6.824 -3.877 498 HB2 ARG 657 2HB ARG 657 11.740 7.367 -3.287 499 HB3 ARG 657 1HB ARG 657 12.041 5.642 -3.146 500 HG2 ARG 657 2HG ARG 657 11.550 5.332 -5.478 501 HG3 ARG 657 1HG ARG 657 11.122 7.033 -5.644 502 HD2 ARG 657 2HD ARG 657 13.412 7.642 -4.984 503 HD3 ARG 657 1HD ARG 657 13.833 5.931 -4.913 504 HE ARG 657 HE ARG 657 12.722 6.454 -7.407 505 HH12 ARG 657 1HH ARG 657 16.595 7.542 -6.994 506 HH21 ARG 657 2HH ARG 657 15.675 7.113 -9.141 507 H SER 658 H SER 658 9.070 5.156 -5.465 508 HA SER 658 HA SER 658 7.592 3.040 -4.609 509 HB2 SER 658 2HB SER 658 9.126 3.417 -7.115 510 HB3 SER 658 1HB SER 658 7.824 2.226 -6.919 511 HG SER 658 HG SER 658 6.570 4.098 -6.259 512 H ASN 659 H ASN 659 7.976 1.196 -3.753 513 HA ASN 659 HA ASN 659 10.080 -0.435 -4.648 514 HB2 ASN 659 2HB ASN 659 11.053 -0.929 -2.399 515 HB3 ASN 659 1HB ASN 659 11.379 0.698 -2.935 516 HD21 ASN 659 2HD ASN 659 8.595 0.526 0.033 517 H ALA 660 H ALA 660 9.602 -2.545 -4.455 518 HA ALA 660 HA ALA 660 6.888 -3.081 -3.470 519 HB1 ALA 660 1HB ALA 660 8.587 -4.638 -5.440 520 HB2 ALA 660 2HB ALA 660 7.316 -3.497 -5.864 521 HB3 ALA 660 3HB ALA 660 6.914 -4.979 -5.005 522 H LYS 661 H LYS 661 9.000 -2.872 -1.671 523 HA LYS 661 HA LYS 661 9.725 -5.536 -0.864 524 HB2 LYS 661 2HB LYS 661 10.380 -2.797 0.131 525 HB3 LYS 661 1HB LYS 661 10.507 -4.132 1.253 526 HG2 LYS 661 2HG LYS 661 12.661 -3.570 0.230 527 HG3 LYS 661 1HG LYS 661 12.158 -5.207 -0.147 528 HD2 LYS 661 2HD LYS 661 11.458 -4.455 -2.383 529 HD3 LYS 661 1HD LYS 661 11.968 -2.809 -1.978 530 HE2 LYS 661 2HE LYS 661 14.248 -3.544 -1.667 531 HE3 LYS 661 1HE LYS 661 13.771 -5.221 -1.928 532 HZ1 LYS 661 3HZ LYS 661 13.641 -3.063 -3.980 533 HZ2 LYS 661 1HZ LYS 661 13.249 -4.709 -4.181 534 HZ3 LYS 661 2HZ LYS 661 14.828 -4.249 -3.855 535 H LEU 662 H LEU 662 8.124 -6.697 -0.182 536 HA LEU 662 HA LEU 662 6.163 -5.597 1.676 537 HB2 LEU 662 2HB LEU 662 6.325 -8.203 0.161 538 HB3 LEU 662 1HB LEU 662 5.167 -7.957 1.454 539 HG LEU 662 HG LEU 662 4.094 -7.752 -0.670 540 HD13 LEU 662 1HD LEU 662 3.291 -6.335 1.041 541 HD21 LEU 662 2HD LEU 662 6.092 -5.604 -1.322 542 H SER 663 H SER 663 6.265 -6.035 3.799 543 HA SER 663 HA SER 663 8.177 -8.083 4.639 544 HB2 SER 663 2HB SER 663 7.138 -5.671 6.133 545 HB3 SER 663 1HB SER 663 8.311 -6.840 6.748 546 HG SER 663 HG SER 663 8.886 -5.692 4.316 547 H TYR 664 H TYR 664 7.437 -9.561 6.165 548 HA TYR 664 HA TYR 664 4.609 -9.315 6.837 549 HB2 TYR 664 2HB TYR 664 4.965 -11.029 5.086 550 HB3 TYR 664 1HB TYR 664 6.062 -11.878 6.161 551 HD1 TYR 664 2HD TYR 664 2.547 -10.491 6.303 552 HD2 TYR 664 1HD TYR 664 5.184 -13.713 7.159 553 HE1 TYR 664 2HE TYR 664 0.697 -11.704 7.046 554 HE2 TYR 664 1HE TYR 664 3.308 -15.035 7.961 555 HH TYR 664 HH TYR 664 0.055 -14.141 7.385 556 H TYR 665 H TYR 665 4.235 -9.339 8.848 557 HA TYR 665 HA TYR 665 6.379 -9.902 10.755 558 HB2 TYR 665 2HB TYR 665 4.903 -7.757 10.586 559 HB3 TYR 665 1HB TYR 665 3.632 -8.748 11.275 560 HD1 TYR 665 1HD TYR 665 7.238 -8.142 11.985 561 HD2 TYR 665 2HD TYR 665 3.286 -8.292 13.507 562 HE1 TYR 665 1HE TYR 665 8.077 -7.491 14.193 563 HE2 TYR 665 2HE TYR 665 4.112 -7.647 15.731 564 HH TYR 665 HH TYR 665 6.159 -7.675 16.999 565 H ASP 666 H ASP 666 4.536 -10.611 12.968 566 HA ASP 666 HA ASP 666 4.361 -13.357 12.864 567 HB2 ASP 666 2HB ASP 666 2.360 -11.573 14.243 568 HB3 ASP 666 1HB ASP 666 2.612 -13.270 14.584 569 H GLY 667 H GLY 667 1.975 -11.097 11.737 570 HA2 GLY 667 2HA GLY 667 1.179 -12.727 9.670 571 HA3 GLY 667 1HA GLY 667 -0.048 -12.944 10.866 572 H MET 668 H MET 668 1.859 -10.138 10.162 573 HA MET 668 HA MET 668 -0.482 -8.829 9.034 574 HB2 MET 668 2HB MET 668 1.481 -7.598 10.996 575 HB3 MET 668 1HB MET 668 0.239 -6.714 10.130 576 HG2 MET 668 2HG MET 668 -1.482 -8.046 11.287 577 HG3 MET 668 1HG MET 668 -0.213 -8.874 12.183 578 HE1 MET 668 3HE MET 668 1.251 -5.897 14.339 579 HE2 MET 668 1HE MET 668 1.830 -6.410 12.756 580 HE3 MET 668 2HE MET 668 1.377 -7.612 13.966 581 H ILE 669 H ILE 669 -0.006 -8.186 7.105 582 HA ILE 669 HA ILE 669 2.693 -8.265 6.153 583 HB ILE 669 HB ILE 669 0.085 -7.457 4.849 584 HG12 ILE 669 1HG ILE 669 1.828 -9.717 4.182 585 HG23 ILE 669 2HG ILE 669 1.929 -6.209 3.827 586 HD11 ILE 669 1HD ILE 669 0.337 -9.338 2.464 587 H GLN 670 H GLN 670 3.997 -6.618 6.001 588 HA GLN 670 HA GLN 670 2.911 -3.958 6.576 589 HB2 GLN 670 2HB GLN 670 5.640 -4.958 7.410 590 HB3 GLN 670 1HB GLN 670 4.949 -3.370 7.742 591 HG2 GLN 670 2HG GLN 670 3.168 -4.437 9.035 592 HG3 GLN 670 1HG GLN 670 3.934 -5.996 8.753 593 HE21 GLN 670 2HE GLN 670 5.288 -3.434 11.549 594 H LEU 671 H LEU 671 3.231 -2.590 5.129 595 HA LEU 671 HA LEU 671 5.002 -3.233 2.831 596 HB2 LEU 671 2HB LEU 671 2.366 -2.663 2.854 597 HB3 LEU 671 1HB LEU 671 2.995 -1.037 2.814 598 HG LEU 671 HG LEU 671 3.195 -3.186 0.737 599 HD13 LEU 671 1HD LEU 671 1.182 -2.019 0.639 600 HD21 LEU 671 2HD LEU 671 4.449 -1.664 -0.688 601 H THR 672 H THR 672 6.849 -1.969 2.801 602 HA THR 672 HA THR 672 6.766 0.460 4.461 603 HB THR 672 HB THR 672 9.141 -1.376 4.072 604 HG1 THR 672 1HG THR 672 7.067 -1.844 5.431 605 HG21 THR 672 2HG THR 672 8.682 0.959 5.961 606 H TYR 673 H TYR 673 6.892 2.202 3.227 607 HA TYR 673 HA TYR 673 8.579 2.153 0.840 608 HB2 TYR 673 2HB TYR 673 6.369 4.028 1.669 609 HB3 TYR 673 1HB TYR 673 7.517 4.418 0.388 610 HD1 TYR 673 1HD TYR 673 7.680 3.055 -1.582 611 HD2 TYR 673 2HD TYR 673 4.611 2.476 1.280 612 HE1 TYR 673 1HE TYR 673 6.446 1.766 -3.210 613 HE2 TYR 673 2HE TYR 673 3.338 1.187 -0.320 614 HH TYR 673 HH TYR 673 3.199 0.738 -2.689 615 H ARG 674 H ARG 674 10.516 2.825 1.049 616 HA ARG 674 HA ARG 674 11.205 4.708 3.196 617 HB2 ARG 674 2HB ARG 674 12.950 2.944 1.479 618 HB3 ARG 674 1HB ARG 674 13.531 4.008 2.744 619 HG2 ARG 674 2HG ARG 674 12.323 2.695 4.412 620 HG3 ARG 674 1HG ARG 674 11.726 1.630 3.135 621 HD2 ARG 674 2HD ARG 674 13.664 0.669 4.260 622 HD3 ARG 674 1HD ARG 674 14.005 1.013 2.561 623 HE ARG 674 HE ARG 674 14.784 2.874 4.687 624 HH12 ARG 674 1HH ARG 674 17.293 1.350 1.861 625 HH21 ARG 674 2HH ARG 674 18.062 2.992 3.385 626 H ASP 675 H ASP 675 13.152 6.107 2.493 627 HA ASP 675 HA ASP 675 14.076 7.742 1.255 628 HB2 ASP 675 2HB ASP 675 12.958 6.199 -1.090 629 HB3 ASP 675 1HB ASP 675 13.943 7.648 -1.266 630 H GLY 676 H GLY 676 11.459 8.051 2.378 631 HA2 GLY 676 2HA GLY 676 9.894 9.707 0.729 632 HA3 GLY 676 1HA GLY 676 9.942 9.697 2.496 633 H THR 677 H THR 677 9.618 12.115 1.324 634 HA THR 677 HA THR 677 12.037 13.485 0.776 635 HB THR 677 HB THR 677 9.386 14.619 1.730 636 HG1 THR 677 1HG THR 677 10.297 14.188 -0.929 637 HG21 THR 677 2HG THR 677 11.588 15.852 0.067 638 HA PRO 678 HA PRO 678 13.254 13.768 5.118 639 HB2 PRO 678 2HB PRO 678 15.185 15.783 4.209 640 HB3 PRO 678 1HB PRO 678 15.488 14.211 4.958 641 HG2 PRO 678 2HG PRO 678 16.035 14.675 2.375 642 HG3 PRO 678 1HG PRO 678 15.453 13.102 2.946 643 HD2 PRO 678 2HD PRO 678 13.946 15.291 1.569 644 HD3 PRO 678 1HD PRO 678 13.879 13.527 1.329 645 H TYR 679 H TYR 679 12.807 15.022 6.774 646 HA TYR 679 HA TYR 679 12.571 17.846 6.571 647 HB2 TYR 679 2HB TYR 679 10.249 18.041 7.150 648 HB3 TYR 679 1HB TYR 679 10.482 17.352 5.551 649 HD1 TYR 679 2HD TYR 679 9.747 16.536 9.014 650 HD2 TYR 679 1HD TYR 679 9.467 15.330 5.035 651 HE1 TYR 679 2HE TYR 679 8.145 14.752 9.710 652 HE2 TYR 679 1HE TYR 679 7.820 13.535 5.649 653 HH TYR 679 HH TYR 679 6.384 13.453 8.695 654 H ASN 680 H ASN 680 12.858 15.073 8.467 655 HA ASN 680 HA ASN 680 11.757 16.077 10.910 656 HB2 ASN 680 2HB ASN 680 11.862 13.668 10.478 657 HB3 ASN 680 1HB ASN 680 13.617 13.736 10.458 658 HD21 ASN 680 2HD ASN 680 13.433 12.702 13.788 659 H ASN 681 H ASN 681 15.145 15.465 9.951 660 HA ASN 681 HA ASN 681 15.965 17.272 12.128 661 HB2 ASN 681 2HB ASN 681 17.966 15.886 12.404 662 HB3 ASN 681 1HB ASN 681 16.516 14.887 12.541 663 HD21 ASN 681 2HD ASN 681 19.142 13.367 10.338 664 H GLU 682 H GLU 682 18.188 18.150 11.756 665 HA GLU 682 HA GLU 682 18.356 19.629 9.355 666 HB2 GLU 682 2HB GLU 682 20.445 19.093 11.460 667 HB3 GLU 682 1HB GLU 682 20.568 20.310 10.204 668 HG2 GLU 682 2HG GLU 682 18.683 21.497 11.150 669 HG3 GLU 682 1HG GLU 682 18.486 20.239 12.376 670 H LYS 683 H LYS 683 19.696 16.597 10.354 671 HA LYS 683 HA LYS 683 21.772 16.586 8.367 672 HB2 LYS 683 2HB LYS 683 20.930 14.429 10.319 673 HB3 LYS 683 1HB LYS 683 22.282 14.271 9.217 674 HG2 LYS 683 2HG LYS 683 23.128 14.824 11.404 675 HG3 LYS 683 1HG LYS 683 23.372 16.212 10.354 676 HD2 LYS 683 2HD LYS 683 21.374 17.271 11.310 677 HD3 LYS 683 1HD LYS 683 21.137 15.881 12.365 678 HE2 LYS 683 2HE LYS 683 22.192 17.716 13.554 679 HE3 LYS 683 1HE LYS 683 23.286 16.336 13.438 680 HZ1 LYS 683 3HZ LYS 683 24.408 18.425 13.016 681 HZ2 LYS 683 1HZ LYS 683 23.391 18.790 11.735 682 HZ3 LYS 683 2HZ LYS 683 24.457 17.487 11.641 683 H ARG 684 H ARG 684 18.628 16.227 8.020 684 HA ARG 684 HA ARG 684 17.253 15.429 6.540 685 HB2 ARG 684 2HB ARG 684 19.726 14.909 4.971 686 HB3 ARG 684 1HB ARG 684 18.163 14.359 4.396 687 HG2 ARG 684 2HG ARG 684 17.345 16.694 4.579 688 HG3 ARG 684 1HG ARG 684 19.007 17.177 4.954 689 HD2 ARG 684 2HD ARG 684 19.784 16.446 2.844 690 HD3 ARG 684 1HD ARG 684 18.261 15.626 2.497 691 HE ARG 684 HE ARG 684 18.152 18.475 2.924 692 HH12 ARG 684 1HH ARG 684 17.628 16.683 -0.700 693 HH21 ARG 684 2HH ARG 684 16.976 18.958 -0.378 694 H THR 685 H THR 685 16.111 14.047 7.428 695 HA THR 685 HA THR 685 16.825 11.239 7.105 696 HB THR 685 HB THR 685 15.201 12.716 9.117 697 HG1 THR 685 1HG THR 685 16.376 11.492 10.559 698 HG21 THR 685 2HG THR 685 14.201 10.617 9.970 699 HA PRO 686 HA PRO 686 13.447 11.384 4.097 700 HB2 PRO 686 2HB PRO 686 14.325 8.649 3.515 701 HB3 PRO 686 1HB PRO 686 14.312 10.054 2.447 702 HG2 PRO 686 2HG PRO 686 16.602 8.927 3.353 703 HG3 PRO 686 1HG PRO 686 16.448 10.654 2.987 704 HD2 PRO 686 2HD PRO 686 16.381 9.265 5.635 705 HD3 PRO 686 1HD PRO 686 17.143 10.808 5.176 706 H ARG 687 H ARG 687 11.502 10.916 4.976 707 HA ARG 687 HA ARG 687 11.498 8.994 7.100 708 HB2 ARG 687 2HB ARG 687 9.380 9.752 7.796 709 HB3 ARG 687 1HB ARG 687 10.158 11.184 7.169 710 HG2 ARG 687 2HG ARG 687 8.126 9.548 5.676 711 HG3 ARG 687 1HG ARG 687 7.765 10.979 6.627 712 HD2 ARG 687 2HD ARG 687 9.278 12.249 5.124 713 HD3 ARG 687 1HD ARG 687 9.439 10.783 4.149 714 HE ARG 687 HE ARG 687 6.888 10.908 4.199 715 HH12 ARG 687 1HH ARG 687 7.975 14.598 2.864 716 HH21 ARG 687 2HH ARG 687 5.825 13.748 2.376 717 H ALA 688 H ALA 688 9.428 7.549 7.196 718 HA ALA 688 HA ALA 688 9.304 6.127 4.664 719 HB1 ALA 688 1HB ALA 688 10.958 5.035 6.102 720 HB2 ALA 688 2HB ALA 688 9.537 4.016 5.859 721 HB3 ALA 688 3HB ALA 688 9.748 4.886 7.379 722 H THR 689 H THR 689 7.512 4.919 4.391 723 HA THR 689 HA THR 689 5.219 5.498 6.143 724 HB THR 689 HB THR 689 5.397 5.045 3.167 725 HG1 THR 689 1HG THR 689 6.055 7.033 3.645 726 HG21 THR 689 2HG THR 689 2.957 5.635 4.873 727 H LEU 690 H LEU 690 4.590 3.648 7.211 728 HA LEU 690 HA LEU 690 4.993 1.194 5.786 729 HB2 LEU 690 2HB LEU 690 6.595 1.328 7.598 730 HB3 LEU 690 1HB LEU 690 5.328 1.711 8.741 731 HG LEU 690 HG LEU 690 5.269 -0.869 7.255 732 HD13 LEU 690 1HD LEU 690 6.500 -1.892 9.134 733 HD21 LEU 690 2HD LEU 690 4.115 -1.661 9.275 734 H ILE 691 H ILE 691 3.283 0.291 5.272 735 HA ILE 691 HA ILE 691 0.778 0.969 6.588 736 HB ILE 691 HB ILE 691 1.190 -0.776 4.136 737 HG12 ILE 691 1HG ILE 691 0.195 1.100 2.833 738 HG23 ILE 691 2HG ILE 691 -1.159 -0.636 3.848 739 HD11 ILE 691 1HD ILE 691 2.845 1.814 4.045 740 H THR 692 H THR 692 -0.286 -0.500 7.840 741 HA THR 692 HA THR 692 0.939 -3.129 8.135 742 HB THR 692 HB THR 692 -0.935 -1.632 10.002 743 HG1 THR 692 1HG THR 692 1.671 -1.376 9.439 744 HG21 THR 692 2HG THR 692 0.858 -4.046 10.433 745 H PHE 693 H PHE 693 -0.170 -4.662 7.144 746 HA PHE 693 HA PHE 693 -2.901 -4.294 6.245 747 HB2 PHE 693 2HB PHE 693 -0.767 -6.285 5.865 748 HB3 PHE 693 1HB PHE 693 -2.385 -6.636 5.265 749 HD1 PHE 693 1HD PHE 693 -0.750 -3.296 5.087 750 HD2 PHE 693 2HD PHE 693 -1.740 -6.839 2.974 751 HE1 PHE 693 1HE PHE 693 -0.198 -2.174 2.910 752 HE2 PHE 693 2HE PHE 693 -1.213 -5.673 0.821 753 HZ PHE 693 HZ PHE 693 -0.427 -3.352 0.855 754 H LEU 694 H LEU 694 -4.461 -4.852 7.537 755 HA LEU 694 HA LEU 694 -4.107 -7.121 9.361 756 HB2 LEU 694 2HB LEU 694 -6.163 -4.899 9.453 757 HB3 LEU 694 1HB LEU 694 -6.083 -6.243 10.556 758 HG LEU 694 HG LEU 694 -5.286 -4.410 11.711 759 HD13 LEU 694 1HD LEU 694 -2.967 -4.918 12.229 760 HD21 LEU 694 2HD LEU 694 -4.871 -2.854 9.902 761 H CYS 695 H CYS 695 -5.792 -8.643 9.410 762 HA CYS 695 HA CYS 695 -7.427 -8.604 6.982 763 HB2 CYS 695 2HB CYS 695 -5.831 -10.524 7.246 764 HB3 CYS 695 1HB CYS 695 -6.625 -11.036 8.691 765 H ASP 696 H ASP 696 -7.882 -7.171 9.381 766 HA ASP 696 HA ASP 696 -10.097 -8.430 10.803 767 HB2 ASP 696 2HB ASP 696 -8.513 -6.945 12.012 768 HB3 ASP 696 1HB ASP 696 -8.985 -5.616 10.970 769 H ARG 697 H ARG 697 -12.027 -8.440 9.909 770 HA ARG 697 HA ARG 697 -13.876 -7.891 8.711 771 HB2 ARG 697 2HB ARG 697 -13.923 -5.700 9.795 772 HB3 ARG 697 1HB ARG 697 -12.651 -5.125 8.729 773 HG2 ARG 697 2HG ARG 697 -14.197 -5.320 6.817 774 HG3 ARG 697 1HG ARG 697 -15.472 -5.812 7.933 775 HD2 ARG 697 2HD ARG 697 -15.595 -3.408 7.361 776 HD3 ARG 697 1HD ARG 697 -15.342 -3.687 9.080 777 HE ARG 697 HE ARG 697 -12.992 -3.171 8.718 778 HH12 ARG 697 1HH ARG 697 -14.291 -0.684 5.790 779 HH21 ARG 697 2HH ARG 697 -12.231 -0.317 6.774 780 H ASP 698 H ASP 698 -14.139 -8.675 6.727 781 HA ASP 698 HA ASP 698 -11.978 -8.363 4.846 782 HB2 ASP 698 2HB ASP 698 -14.645 -9.783 4.583 783 HB3 ASP 698 1HB ASP 698 -13.428 -9.737 3.321 784 H ALA 699 H ALA 699 -11.810 -6.592 3.809 785 HA ALA 699 HA ALA 699 -14.208 -5.112 2.985 786 HB1 ALA 699 1HB ALA 699 -11.345 -4.183 3.275 787 HB2 ALA 699 2HB ALA 699 -12.650 -3.881 4.422 788 HB3 ALA 699 3HB ALA 699 -12.712 -3.171 2.810 789 H GLY 700 H GLY 700 -12.636 -7.442 1.789 790 HA2 GLY 700 2HA GLY 700 -12.487 -8.154 -0.402 791 HA3 GLY 700 1HA GLY 700 -12.812 -6.510 -0.923 792 H VAL 701 H VAL 701 -11.217 -5.437 -1.775 793 HA VAL 701 HA VAL 701 -8.712 -6.715 -2.098 794 HB VAL 701 HB VAL 701 -9.472 -3.900 -2.922 795 HG13 VAL 701 1HG VAL 701 -7.068 -4.269 -2.947 796 HG21 VAL 701 2HG VAL 701 -9.660 -6.483 -4.472 797 H GLY 702 H GLY 702 -9.727 -3.933 -0.145 798 HA2 GLY 702 2HA GLY 702 -8.470 -3.911 2.018 799 HA3 GLY 702 1HA GLY 702 -7.039 -3.977 0.995 800 H PHE 703 H PHE 703 -8.763 -1.976 2.822 801 HA PHE 703 HA PHE 703 -8.036 0.322 1.152 802 HB2 PHE 703 2HB PHE 703 -10.482 0.146 1.520 803 HB3 PHE 703 1HB PHE 703 -10.213 0.194 3.259 804 HD1 PHE 703 2HD PHE 703 -9.904 2.127 0.140 805 HD2 PHE 703 1HD PHE 703 -9.928 2.258 4.385 806 HE1 PHE 703 2HE PHE 703 -9.991 4.582 0.068 807 HE2 PHE 703 1HE PHE 703 -10.008 4.710 4.308 808 HZ PHE 703 HZ PHE 703 -10.036 5.872 2.114 809 HA PRO 704 HA PRO 704 -5.442 1.237 4.727 810 HB2 PRO 704 2HB PRO 704 -4.003 3.211 3.628 811 HB3 PRO 704 1HB PRO 704 -3.781 1.518 3.188 812 HG2 PRO 704 2HG PRO 704 -5.003 3.706 1.636 813 HG3 PRO 704 1HG PRO 704 -4.296 2.191 1.066 814 HD2 PRO 704 2HD PRO 704 -7.080 2.821 1.454 815 HD3 PRO 704 1HD PRO 704 -6.360 1.307 0.871 816 H GLU 705 H GLU 705 -5.716 2.454 6.423 817 HA GLU 705 HA GLU 705 -6.888 5.148 6.248 818 HB2 GLU 705 2HB GLU 705 -7.317 2.875 8.090 819 HB3 GLU 705 1HB GLU 705 -7.469 4.500 8.748 820 HG2 GLU 705 2HG GLU 705 -9.009 3.458 6.373 821 HG3 GLU 705 1HG GLU 705 -9.636 3.512 8.029 822 H TYR 706 H TYR 706 -5.691 6.741 7.061 823 HA TYR 706 HA TYR 706 -3.128 6.158 8.209 824 HB2 TYR 706 2HB TYR 706 -3.383 8.079 6.679 825 HB3 TYR 706 1HB TYR 706 -4.501 8.833 7.810 826 HD1 TYR 706 1HD TYR 706 -1.201 7.155 8.398 827 HD2 TYR 706 2HD TYR 706 -3.454 10.752 8.591 828 HE1 TYR 706 1HE TYR 706 0.674 8.253 9.537 829 HE2 TYR 706 2HE TYR 706 -1.627 11.860 9.726 830 HH TYR 706 HH TYR 706 1.564 10.335 10.117 831 H GLN 707 H GLN 707 -2.488 6.506 10.322 832 HA GLN 707 HA GLN 707 -4.322 6.074 12.354 833 HB2 GLN 707 2HB GLN 707 -1.482 7.115 12.521 834 HB3 GLN 707 1HB GLN 707 -2.424 6.607 13.924 835 HG2 GLN 707 2HG GLN 707 -1.612 4.906 11.580 836 HG3 GLN 707 1HG GLN 707 -0.837 4.952 13.164 837 HE21 GLN 707 2HE GLN 707 -2.717 2.122 13.848 838 H GLU 708 H GLU 708 -2.378 9.106 12.277 839 HA GLU 708 HA GLU 708 -4.764 10.718 12.455 840 HB2 GLU 708 2HB GLU 708 -4.496 10.023 14.807 841 HB3 GLU 708 1HB GLU 708 -2.842 10.614 14.788 842 HG2 GLU 708 2HG GLU 708 -3.704 12.880 14.341 843 HG3 GLU 708 1HG GLU 708 -5.343 12.257 14.512 844 H GLU 709 H GLU 709 -1.462 11.133 13.543 845 HA GLU 709 HA GLU 709 -0.260 12.344 11.437 846 HB2 GLU 709 2HB GLU 709 -1.618 14.355 13.225 847 HB3 GLU 709 1HB GLU 709 -0.059 14.716 12.515 848 HG2 GLU 709 2HG GLU 709 -1.040 14.439 10.285 849 HG3 GLU 709 1HG GLU 709 -2.606 14.116 11.032 850 H ASP 710 H ASP 710 1.466 11.290 12.091 851 HA ASP 710 HA ASP 710 2.458 11.862 14.790 852 HB2 ASP 710 2HB ASP 710 3.796 9.906 14.582 853 HB3 ASP 710 1HB ASP 710 2.218 9.466 13.946 854 H ASN 711 H ASN 711 5.164 11.610 14.445 855 HA ASN 711 HA ASN 711 5.742 14.136 13.216 856 HB2 ASN 711 2HB ASN 711 6.865 13.525 15.287 857 HB3 ASN 711 1HB ASN 711 7.638 12.157 14.496 858 HD21 ASN 711 2HD ASN 711 10.389 14.263 14.122 859 H SER 712 H SER 712 6.242 10.760 12.140 860 HA SER 712 HA SER 712 7.098 11.647 9.583 861 HB2 SER 712 2HB SER 712 9.502 10.879 9.725 862 HB3 SER 712 1HB SER 712 9.114 12.368 10.585 863 HG SER 712 HG SER 712 8.651 10.405 12.227 864 H THR 713 H THR 713 6.482 8.989 11.716 865 HA THR 713 HA THR 713 7.051 7.183 9.507 866 HB THR 713 HB THR 713 6.637 6.433 12.426 867 HG1 THR 713 1HG THR 713 8.790 6.347 12.570 868 HG21 THR 713 2HG THR 713 6.053 4.652 10.820 869 H TYR 714 H TYR 714 5.310 7.629 8.393 870 HA TYR 714 HA TYR 714 2.720 7.814 9.453 871 HB2 TYR 714 2HB TYR 714 3.664 7.451 6.604 872 HB3 TYR 714 1HB TYR 714 1.991 7.729 7.080 873 HD1 TYR 714 1HD TYR 714 5.404 9.308 7.107 874 HD2 TYR 714 2HD TYR 714 1.195 9.882 7.504 875 HE1 TYR 714 1HE TYR 714 5.720 11.729 7.073 876 HE2 TYR 714 2HE TYR 714 1.526 12.310 7.463 877 HH TYR 714 HH TYR 714 3.337 13.904 7.984 878 H ASN 715 H ASN 715 1.672 6.232 10.320 879 HA ASN 715 HA ASN 715 2.051 3.493 9.348 880 HB2 ASN 715 2HB ASN 715 2.138 4.090 11.930 881 HB3 ASN 715 1HB ASN 715 0.456 4.368 11.718 882 HD21 ASN 715 2HD ASN 715 1.212 0.495 10.807 883 H PHE 716 H PHE 716 0.439 2.473 8.312 884 HA PHE 716 HA PHE 716 -2.193 3.756 8.279 885 HB2 PHE 716 2HB PHE 716 -0.698 2.533 5.976 886 HB3 PHE 716 1HB PHE 716 -2.429 2.850 5.928 887 HD1 PHE 716 2HD PHE 716 0.902 4.427 6.208 888 HD2 PHE 716 1HD PHE 716 -3.258 4.998 5.571 889 HE1 PHE 716 2HE PHE 716 1.319 6.750 5.519 890 HE2 PHE 716 1HE PHE 716 -2.839 7.308 4.883 891 HZ PHE 716 HZ PHE 716 -0.573 8.187 4.870 892 H ARG 717 H ARG 717 -3.878 2.548 8.563 893 HA ARG 717 HA ARG 717 -3.473 -0.298 9.023 894 HB2 ARG 717 2HB ARG 717 -5.713 1.574 9.784 895 HB3 ARG 717 1HB ARG 717 -5.809 -0.167 9.991 896 HG2 ARG 717 2HG ARG 717 -3.912 -0.105 11.512 897 HG3 ARG 717 1HG ARG 717 -3.768 1.638 11.272 898 HD2 ARG 717 2HD ARG 717 -6.226 0.268 12.353 899 HD3 ARG 717 1HD ARG 717 -4.963 0.974 13.360 900 HE ARG 717 HE ARG 717 -5.485 3.112 12.312 901 HH12 ARG 717 1HH ARG 717 -9.296 1.712 12.179 902 HH21 ARG 717 2HH ARG 717 -8.903 3.997 12.297 903 H TRP 718 H TRP 718 -3.693 -1.382 7.326 904 HA TRP 718 HA TRP 718 -5.633 -0.687 5.213 905 HB2 TRP 718 2HB TRP 718 -3.194 -0.804 4.714 906 HB3 TRP 718 1HB TRP 718 -3.194 -2.469 5.230 907 HD1 TRP 718 HD TRP 718 -5.326 -3.843 3.537 908 HE1 TRP 718 1HE TRP 718 -5.166 -3.895 0.948 909 HE3 TRP 718 3HE TRP 718 -2.281 0.247 2.737 910 HZ2 TRP 718 2HZ TRP 718 -3.920 -2.458 -1.091 911 HZ3 TRP 718 3HZ TRP 718 -1.669 0.787 0.472 912 HH2 TRP 718 HH TRP 718 -2.456 -0.521 -1.396 913 H TYR 719 H TYR 719 -7.423 -1.871 5.374 914 HA TYR 719 HA TYR 719 -7.244 -4.491 6.677 915 HB2 TYR 719 2HB TYR 719 -9.646 -2.720 6.211 916 HB3 TYR 719 1HB TYR 719 -9.707 -4.307 6.975 917 HD1 TYR 719 2HD TYR 719 -8.565 -4.666 9.131 918 HD2 TYR 719 1HD TYR 719 -8.941 -0.785 7.451 919 HE1 TYR 719 2HE TYR 719 -8.059 -3.680 11.323 920 HE2 TYR 719 1HE TYR 719 -8.440 0.216 9.646 921 HH TYR 719 HH TYR 719 -7.320 -1.731 12.296 922 H THR 720 H THR 720 -7.016 -6.112 5.381 923 HA THR 720 HA THR 720 -8.505 -6.142 2.880 924 HB THR 720 HB THR 720 -6.367 -5.329 2.190 925 HG1 THR 720 1HG THR 720 -6.637 -6.613 0.575 926 HG21 THR 720 2HG THR 720 -4.304 -6.553 2.559 927 H SER 721 H SER 721 -9.117 -8.094 2.094 928 HA SER 721 HA SER 721 -9.252 -10.278 3.909 929 HB2 SER 721 2HB SER 721 -11.010 -9.737 2.198 930 HB3 SER 721 1HB SER 721 -9.873 -10.196 0.934 931 HG SER 721 HG SER 721 -11.189 -11.741 2.845 932 H TYR 722 H TYR 722 -7.065 -9.227 1.437 933 HA TYR 722 HA TYR 722 -5.871 -11.703 0.788 934 HB2 TYR 722 2HB TYR 722 -4.972 -8.870 0.409 935 HB3 TYR 722 1HB TYR 722 -3.985 -10.234 -0.086 936 HD1 TYR 722 1HD TYR 722 -7.028 -8.288 -0.811 937 HD2 TYR 722 2HD TYR 722 -4.608 -11.577 -1.978 938 HE1 TYR 722 1HE TYR 722 -8.164 -8.362 -3.011 939 HE2 TYR 722 2HE TYR 722 -5.727 -11.654 -4.150 940 HH TYR 722 HH TYR 722 -7.822 -10.986 -5.097 941 H ALA 723 H ALA 723 -5.636 -9.851 3.598 942 HA ALA 723 HA ALA 723 -2.918 -10.572 4.209 943 HB1 ALA 723 1HB ALA 723 -5.095 -9.376 5.926 944 HB2 ALA 723 2HB ALA 723 -3.795 -8.518 5.125 945 HB3 ALA 723 3HB ALA 723 -3.426 -9.608 6.468 946 H CYS 724 H CYS 724 -5.721 -12.212 4.098 947 HA CYS 724 HA CYS 724 -4.780 -14.195 6.014 948 HB2 CYS 724 2HB CYS 724 -7.558 -13.745 4.906 949 HB3 CYS 724 1HB CYS 724 -7.119 -15.236 5.723 950 HA PRO 725 HA PRO 725 -3.962 -16.619 2.252 951 HB2 PRO 725 2HB PRO 725 -4.302 -19.073 3.823 952 HB3 PRO 725 1HB PRO 725 -2.841 -18.447 3.060 953 HG2 PRO 725 2HG PRO 725 -3.162 -18.492 5.740 954 HG3 PRO 725 1HG PRO 725 -2.232 -17.234 4.911 955 HD2 PRO 725 2HD PRO 725 -5.010 -17.128 5.999 956 HD3 PRO 725 1HD PRO 725 -3.723 -15.903 6.044 Start of MODEL 12 1 H1 GLU 578 1HT GLU 578 23.002 3.039 14.236 2 H2 GLU 578 2HT GLU 578 22.576 3.769 12.741 3 H3 GLU 578 3HT GLU 578 22.332 2.132 12.991 4 HA GLU 578 HA GLU 578 20.691 2.440 14.561 5 HB2 GLU 578 2HB GLU 578 21.677 4.485 15.614 6 HB3 GLU 578 1HB GLU 578 21.201 5.417 14.215 7 HG2 GLU 578 2HG GLU 578 19.207 4.027 16.012 8 HG3 GLU 578 1HG GLU 578 19.769 5.664 16.305 9 H ALA 579 H ALA 579 19.092 1.740 13.439 10 HA ALA 579 HA ALA 579 17.788 3.452 11.548 11 HB1 ALA 579 1HB ALA 579 19.365 2.233 10.089 12 HB2 ALA 579 2HB ALA 579 17.693 1.784 9.753 13 HB3 ALA 579 3HB ALA 579 18.725 0.704 10.691 14 H GLU 580 H GLU 580 16.601 3.334 13.544 15 HA GLU 580 HA GLU 580 14.747 2.812 14.683 16 HB2 GLU 580 2HB GLU 580 13.572 2.528 12.561 17 HB3 GLU 580 1HB GLU 580 14.187 0.892 12.400 18 HG2 GLU 580 2HG GLU 580 12.898 0.211 14.367 19 HG3 GLU 580 1HG GLU 580 12.278 1.852 14.527 20 H ALA 581 H ALA 581 15.412 -0.367 13.386 21 HA ALA 581 HA ALA 581 16.882 -1.579 15.340 22 HB1 ALA 581 1HB ALA 581 15.197 -2.862 16.631 23 HB2 ALA 581 2HB ALA 581 13.914 -1.930 15.859 24 HB3 ALA 581 3HB ALA 581 15.057 -1.129 16.944 25 H GLU 582 H GLU 582 17.644 -2.870 13.753 26 HA GLU 582 HA GLU 582 15.646 -4.356 12.196 27 HB2 GLU 582 2HB GLU 582 18.551 -3.874 11.541 28 HB3 GLU 582 1HB GLU 582 17.421 -4.771 10.548 29 HG2 GLU 582 2HG GLU 582 16.090 -2.741 10.236 30 HG3 GLU 582 1HG GLU 582 17.251 -1.840 11.214 31 H PHE 583 H PHE 583 15.231 -6.131 13.357 32 HA PHE 583 HA PHE 583 17.499 -7.889 13.920 33 HB2 PHE 583 2HB PHE 583 14.911 -7.580 15.466 34 HB3 PHE 583 1HB PHE 583 16.083 -8.856 15.750 35 HD1 PHE 583 1HD PHE 583 18.347 -8.258 16.592 36 HD2 PHE 583 2HD PHE 583 15.186 -5.427 16.384 37 HE1 PHE 583 1HE PHE 583 19.550 -6.814 18.164 38 HE2 PHE 583 2HE PHE 583 16.386 -3.976 17.965 39 HZ PHE 583 HZ PHE 583 18.572 -4.671 18.855 40 H LEU 584 H LEU 584 16.955 -10.173 13.677 41 HA LEU 584 HA LEU 584 15.112 -10.383 11.481 42 HB2 LEU 584 2HB LEU 584 17.133 -12.377 12.468 43 HB3 LEU 584 1HB LEU 584 16.010 -12.706 11.164 44 HG LEU 584 HG LEU 584 18.143 -10.559 11.139 45 HD13 LEU 584 1HD LEU 584 17.960 -13.168 9.654 46 HD21 LEU 584 2HD LEU 584 16.208 -9.872 9.833 47 H SER 585 H SER 585 13.458 -9.917 12.885 48 HA SER 585 HA SER 585 12.178 -12.383 13.789 49 HB2 SER 585 2HB SER 585 10.938 -10.838 15.380 50 HB3 SER 585 1HB SER 585 12.658 -11.022 15.732 51 HG SER 585 HG SER 585 12.309 -8.857 15.774 52 H ARG 586 H ARG 586 12.457 -10.187 11.499 53 HA ARG 586 HA ARG 586 9.627 -10.062 10.692 54 HB2 ARG 586 2HB ARG 586 10.813 -7.870 11.387 55 HB3 ARG 586 1HB ARG 586 11.883 -8.156 10.034 56 HG2 ARG 586 2HG ARG 586 9.982 -7.970 8.506 57 HG3 ARG 586 1HG ARG 586 8.926 -7.621 9.880 58 HD2 ARG 586 2HD ARG 586 10.527 -5.767 10.479 59 HD3 ARG 586 1HD ARG 586 11.272 -6.025 8.907 60 HE ARG 586 HE ARG 586 8.429 -5.375 9.147 61 HH12 ARG 586 1HH ARG 586 11.144 -3.237 7.035 62 HH21 ARG 586 2HH ARG 586 8.924 -2.434 7.278 63 H THR 587 H THR 587 9.404 -11.057 8.691 64 HA THR 587 HA THR 587 11.910 -11.781 7.345 65 HB THR 587 HB THR 587 9.204 -13.088 6.929 66 HG1 THR 587 1HG THR 587 9.645 -14.412 8.494 67 HG21 THR 587 2HG THR 587 10.794 -13.396 5.122 68 H GLU 588 H GLU 588 12.330 -10.622 5.551 69 HA GLU 588 HA GLU 588 10.012 -9.669 4.125 70 HB2 GLU 588 2HB GLU 588 11.202 -7.499 3.706 71 HB3 GLU 588 1HB GLU 588 10.620 -7.776 5.328 72 HG2 GLU 588 2HG GLU 588 12.953 -8.422 5.965 73 HG3 GLU 588 1HG GLU 588 13.464 -7.896 4.360 74 H GLY 589 H GLY 589 9.906 -9.766 2.057 75 HA2 GLY 589 2HA GLY 589 12.162 -11.043 0.661 76 HA3 GLY 589 1HA GLY 589 10.471 -11.149 0.176 77 H ASP 590 H ASP 590 10.414 -10.218 -1.816 78 HA ASP 590 HA ASP 590 10.679 -7.408 -2.041 79 HB2 ASP 590 2HB ASP 590 13.126 -8.036 -2.108 80 HB3 ASP 590 1HB ASP 590 12.799 -8.981 -3.554 81 H ASN 591 H ASN 591 9.848 -6.645 -3.981 82 HA ASN 591 HA ASN 591 8.558 -6.519 -5.756 83 HB2 ASN 591 2HB ASN 591 10.446 -7.587 -6.954 84 HB3 ASN 591 1HB ASN 591 9.730 -9.164 -6.659 85 HD21 ASN 591 2HD ASN 591 7.372 -8.926 -9.252 86 H CYS 592 H CYS 592 6.840 -6.621 -4.325 87 HA CYS 592 HA CYS 592 4.665 -7.033 -3.926 88 HB2 CYS 592 2HB CYS 592 4.807 -8.657 -6.465 89 HB3 CYS 592 1HB CYS 592 3.336 -8.081 -5.693 90 H THR 593 H THR 593 6.827 -9.239 -3.229 91 HA THR 593 HA THR 593 4.853 -11.196 -2.417 92 HB THR 593 HB THR 593 6.563 -12.994 -2.893 93 HG1 THR 593 1HG THR 593 7.690 -11.050 -4.595 94 HG21 THR 593 2HG THR 593 5.545 -11.435 -5.275 95 H VAL 594 H VAL 594 5.375 -12.393 -0.641 96 HA VAL 594 HA VAL 594 7.759 -11.789 0.850 97 HB VAL 594 HB VAL 594 6.271 -10.140 1.805 98 HG13 VAL 594 1HG VAL 594 4.144 -10.977 1.020 99 HG21 VAL 594 2HG VAL 594 6.094 -10.881 4.118 100 H PHE 595 H PHE 595 8.559 -13.610 1.670 101 HA PHE 595 HA PHE 595 6.744 -15.866 1.975 102 HB2 PHE 595 2HB PHE 595 8.561 -17.343 1.152 103 HB3 PHE 595 1HB PHE 595 8.042 -16.205 -0.074 104 HD1 PHE 595 1HD PHE 595 9.514 -14.339 -0.732 105 HD2 PHE 595 2HD PHE 595 10.779 -17.284 2.060 106 HE1 PHE 595 1HE PHE 595 11.848 -13.626 -1.040 107 HE2 PHE 595 2HE PHE 595 13.116 -16.576 1.758 108 HZ PHE 595 HZ PHE 595 13.652 -14.744 0.204 109 H ASP 596 H ASP 596 7.130 -17.152 3.758 110 HA ASP 596 HA ASP 596 9.253 -16.128 5.517 111 HB2 ASP 596 2HB ASP 596 6.914 -15.517 6.303 112 HB3 ASP 596 1HB ASP 596 6.618 -17.232 6.481 113 H SER 597 H SER 597 10.700 -17.582 6.029 114 HA SER 597 HA SER 597 10.565 -20.223 5.043 115 HB2 SER 597 2HB SER 597 12.476 -19.117 7.094 116 HB3 SER 597 1HB SER 597 12.736 -20.460 5.982 117 HG SER 597 HG SER 597 12.444 -18.904 4.266 118 H GLN 598 H GLN 598 10.206 -18.864 8.311 119 HA GLN 598 HA GLN 598 10.020 -21.506 9.335 120 HB2 GLN 598 2HB GLN 598 9.641 -20.382 11.614 121 HB3 GLN 598 1HB GLN 598 11.227 -20.327 10.882 122 HG2 GLN 598 2HG GLN 598 9.247 -18.041 10.792 123 HG3 GLN 598 1HG GLN 598 10.450 -18.230 12.063 124 HE21 GLN 598 2HE GLN 598 11.460 -16.646 8.486 125 H ALA 599 H ALA 599 7.695 -18.958 8.856 126 HA ALA 599 HA ALA 599 5.618 -20.581 10.022 127 HB1 ALA 599 1HB ALA 599 5.435 -18.130 10.008 128 HB2 ALA 599 2HB ALA 599 4.071 -18.873 9.169 129 HB3 ALA 599 3HB ALA 599 5.389 -18.147 8.245 130 H GLY 600 H GLY 600 7.168 -20.326 6.996 131 HA2 GLY 600 2HA GLY 600 7.185 -21.895 5.306 132 HA3 GLY 600 1HA GLY 600 5.949 -22.782 6.170 133 H PHE 601 H PHE 601 5.971 -19.506 4.779 134 HA PHE 601 HA PHE 601 3.994 -20.475 2.871 135 HB2 PHE 601 2HB PHE 601 2.501 -18.592 3.174 136 HB3 PHE 601 1HB PHE 601 2.668 -19.481 4.684 137 HD1 PHE 601 2HD PHE 601 3.503 -16.367 2.883 138 HD2 PHE 601 1HD PHE 601 3.591 -18.416 6.614 139 HE1 PHE 601 2HE PHE 601 4.036 -14.276 4.009 140 HE2 PHE 601 1HE PHE 601 4.118 -16.305 7.743 141 HZ PHE 601 HZ PHE 601 4.345 -14.238 6.434 142 H SER 602 H SER 602 3.597 -19.018 1.110 143 HA SER 602 HA SER 602 5.575 -16.924 0.732 144 HB2 SER 602 2HB SER 602 5.717 -17.671 -1.669 145 HB3 SER 602 1HB SER 602 6.374 -18.859 -0.551 146 HG SER 602 HG SER 602 3.764 -18.865 -1.625 147 H PHE 603 H PHE 603 4.432 -15.051 0.301 148 HA PHE 603 HA PHE 603 1.694 -15.432 -0.680 149 HB2 PHE 603 2HB PHE 603 2.322 -14.481 1.904 150 HB3 PHE 603 1HB PHE 603 2.186 -13.057 0.927 151 HD1 PHE 603 2HD PHE 603 0.147 -12.592 -0.432 152 HD2 PHE 603 1HD PHE 603 0.339 -15.658 2.502 153 HE1 PHE 603 2HE PHE 603 -2.306 -12.686 -0.373 154 HE2 PHE 603 1HE PHE 603 -2.101 -15.759 2.566 155 HZ PHE 603 HZ PHE 603 -3.437 -14.274 1.128 156 H ASP 604 H ASP 604 0.997 -13.952 -2.155 157 HA ASP 604 HA ASP 604 2.878 -11.858 -2.935 158 HB2 ASP 604 2HB ASP 604 2.361 -12.232 -5.297 159 HB3 ASP 604 1HB ASP 604 2.939 -13.735 -4.589 160 H LEU 605 H LEU 605 1.996 -9.907 -3.132 161 HA LEU 605 HA LEU 605 -0.941 -9.776 -2.935 162 HB2 LEU 605 2HB LEU 605 1.032 -7.716 -1.923 163 HB3 LEU 605 1HB LEU 605 -0.728 -7.645 -1.865 164 HG LEU 605 HG LEU 605 0.955 -9.655 -0.376 165 HD13 LEU 605 1HD LEU 605 -0.527 -7.217 0.570 166 HD21 LEU 605 2HD LEU 605 -1.157 -10.207 0.749 167 H THR 606 H THR 606 0.935 -9.878 -5.258 168 HA THR 606 HA THR 606 1.199 -7.645 -6.682 169 HB THR 606 HB THR 606 0.241 -10.314 -7.729 170 HG1 THR 606 1HG THR 606 2.329 -10.967 -7.533 171 HG21 THR 606 2HG THR 606 1.638 -9.730 -9.649 172 HA PRO 607 HA PRO 607 -3.511 -8.083 -8.326 173 HB2 PRO 607 2HB PRO 607 -5.242 -9.106 -6.460 174 HB3 PRO 607 1HB PRO 607 -4.519 -10.052 -7.765 175 HG2 PRO 607 2HG PRO 607 -3.634 -9.787 -4.914 176 HG3 PRO 607 1HG PRO 607 -3.813 -11.258 -5.888 177 HD2 PRO 607 2HD PRO 607 -1.417 -10.204 -5.523 178 HD3 PRO 607 1HD PRO 607 -1.877 -10.813 -7.127 179 H LEU 608 H LEU 608 -2.398 -7.016 -5.156 180 HA LEU 608 HA LEU 608 -4.707 -5.376 -4.623 181 HB2 LEU 608 2HB LEU 608 -1.947 -5.270 -3.442 182 HB3 LEU 608 1HB LEU 608 -3.382 -4.479 -2.839 183 HG LEU 608 HG LEU 608 -2.722 -7.409 -2.780 184 HD13 LEU 608 1HD LEU 608 -3.179 -5.390 -0.597 185 HD21 LEU 608 2HD LEU 608 -4.754 -7.746 -1.614 186 H THR 609 H THR 609 -2.027 -5.206 -6.621 187 HA THR 609 HA THR 609 -1.400 -2.439 -6.357 188 HB THR 609 HB THR 609 -0.711 -4.340 -8.605 189 HG1 THR 609 1HG THR 609 0.188 -5.299 -6.907 190 HG21 THR 609 2HG THR 609 -0.294 -1.965 -9.072 191 H LYS 610 H LYS 610 -2.208 -0.715 -7.553 192 HA LYS 610 HA LYS 610 -3.993 -1.348 -9.794 193 HB2 LYS 610 2HB LYS 610 -4.292 0.890 -7.807 194 HB3 LYS 610 1HB LYS 610 -5.289 0.671 -9.218 195 HG2 LYS 610 2HG LYS 610 -5.935 -1.605 -8.227 196 HG3 LYS 610 1HG LYS 610 -5.163 -1.016 -6.761 197 HD2 LYS 610 2HD LYS 610 -6.667 0.866 -6.646 198 HD3 LYS 610 1HD LYS 610 -7.411 0.395 -8.177 199 HE2 LYS 610 2HE LYS 610 -7.439 -1.207 -5.620 200 HE3 LYS 610 1HE LYS 610 -8.785 -0.281 -6.278 201 HZ1 LYS 610 3HZ LYS 610 -8.777 -1.757 -8.208 202 HZ2 LYS 610 1HZ LYS 610 -9.042 -2.592 -6.798 203 HZ3 LYS 610 2HZ LYS 610 -7.531 -2.674 -7.533 204 H LYS 611 H LYS 611 -3.934 0.188 -11.512 205 HA LYS 611 HA LYS 611 -1.404 1.506 -11.798 206 HB2 LYS 611 2HB LYS 611 -2.249 2.269 -13.992 207 HB3 LYS 611 1HB LYS 611 -2.475 0.540 -13.783 208 HG2 LYS 611 2HG LYS 611 -4.818 0.891 -13.289 209 HG3 LYS 611 1HG LYS 611 -4.602 2.637 -13.400 210 HD2 LYS 611 2HD LYS 611 -3.979 2.385 -15.753 211 HD3 LYS 611 1HD LYS 611 -4.225 0.638 -15.623 212 HE2 LYS 611 2HE LYS 611 -6.556 0.994 -15.056 213 HE3 LYS 611 1HE LYS 611 -6.327 2.740 -15.130 214 HZ1 LYS 611 3HZ LYS 611 -5.789 2.518 -17.476 215 HZ2 LYS 611 1HZ LYS 611 -7.322 1.893 -17.133 216 HZ3 LYS 611 2HZ LYS 611 -6.021 0.855 -17.399 217 H ASP 612 H ASP 612 -4.602 2.414 -10.841 218 HA ASP 612 HA ASP 612 -4.079 5.274 -11.053 219 HB2 ASP 612 2HB ASP 612 -6.499 3.753 -10.071 220 HB3 ASP 612 1HB ASP 612 -6.388 5.503 -10.095 221 H ALA 613 H ALA 613 -3.724 2.803 -8.877 222 HA ALA 613 HA ALA 613 -3.000 2.625 -6.762 223 HB1 ALA 613 1HB ALA 613 -1.386 4.350 -7.375 224 HB2 ALA 613 2HB ALA 613 -1.862 4.477 -5.682 225 HB3 ALA 613 3HB ALA 613 -2.524 5.603 -6.869 226 H TYR 614 H TYR 614 -3.290 3.666 -4.505 227 HA TYR 614 HA TYR 614 -6.166 3.846 -4.082 228 HB2 TYR 614 2HB TYR 614 -3.889 3.039 -2.300 229 HB3 TYR 614 1HB TYR 614 -5.537 3.213 -1.717 230 HD1 TYR 614 2HD TYR 614 -3.426 1.419 -4.169 231 HD2 TYR 614 1HD TYR 614 -7.071 1.451 -1.987 232 HE1 TYR 614 2HE TYR 614 -3.898 -0.821 -4.952 233 HE2 TYR 614 1HE TYR 614 -7.558 -0.823 -2.774 234 HH TYR 614 HH TYR 614 -5.178 -2.680 -4.373 235 H LYS 615 H LYS 615 -7.015 5.293 -2.606 236 HA LYS 615 HA LYS 615 -5.282 7.550 -2.067 237 HB2 LYS 615 2HB LYS 615 -7.257 9.025 -2.460 238 HB3 LYS 615 1HB LYS 615 -6.580 8.250 -3.874 239 HG2 LYS 615 2HG LYS 615 -8.893 8.138 -4.168 240 HG3 LYS 615 1HG LYS 615 -8.419 6.527 -3.635 241 HD2 LYS 615 2HD LYS 615 -10.474 7.169 -2.552 242 HD3 LYS 615 1HD LYS 615 -9.176 7.069 -1.369 243 HE2 LYS 615 2HE LYS 615 -8.927 9.467 -1.375 244 HE3 LYS 615 1HE LYS 615 -10.127 9.622 -2.651 245 HZ1 LYS 615 3HZ LYS 615 -11.775 8.693 -1.153 246 HZ2 LYS 615 1HZ LYS 615 -11.112 10.088 -0.478 247 HZ3 LYS 615 2HZ LYS 615 -10.647 8.560 0.081 248 H VAL 616 H VAL 616 -5.313 8.408 -0.119 249 HA VAL 616 HA VAL 616 -7.420 7.605 1.773 250 HB VAL 616 HB VAL 616 -4.558 8.294 2.456 251 HG13 VAL 616 1HG VAL 616 -6.699 7.012 4.112 252 HG21 VAL 616 2HG VAL 616 -4.117 5.902 2.860 253 H GLU 617 H GLU 617 -8.242 9.417 2.897 254 HA GLU 617 HA GLU 617 -6.858 11.915 2.353 255 HB2 GLU 617 2HB GLU 617 -8.955 13.075 1.902 256 HB3 GLU 617 1HB GLU 617 -8.645 11.807 0.729 257 HG2 GLU 617 2HG GLU 617 -10.239 10.367 1.822 258 HG3 GLU 617 1HG GLU 617 -10.518 11.580 3.069 259 H THR 618 H THR 618 -7.220 13.584 3.789 260 HA THR 618 HA THR 618 -8.667 13.007 6.221 261 HB THR 618 HB THR 618 -6.740 13.978 7.531 262 HG1 THR 618 1HG THR 618 -5.369 13.559 5.096 263 HG21 THR 618 2HG THR 618 -6.087 11.410 6.068 264 H ASP 619 H ASP 619 -8.315 15.254 7.520 265 HA ASP 619 HA ASP 619 -9.476 17.251 5.849 266 HB2 ASP 619 2HB ASP 619 -8.463 17.408 8.689 267 HB3 ASP 619 1HB ASP 619 -9.370 18.674 7.880 268 H LYS 620 H LYS 620 -6.287 16.409 6.742 269 HA LYS 620 HA LYS 620 -5.382 19.041 5.876 270 HB2 LYS 620 2HB LYS 620 -3.863 17.042 7.550 271 HB3 LYS 620 1HB LYS 620 -3.134 18.467 6.853 272 HG2 LYS 620 2HG LYS 620 -3.581 19.020 9.105 273 HG3 LYS 620 1HG LYS 620 -4.822 19.828 8.163 274 HD2 LYS 620 2HD LYS 620 -5.797 18.874 10.156 275 HD3 LYS 620 1HD LYS 620 -6.390 17.992 8.750 276 HE2 LYS 620 2HE LYS 620 -4.853 16.173 9.181 277 HE3 LYS 620 1HE LYS 620 -4.087 17.083 10.484 278 HZ1 LYS 620 3HZ LYS 620 -5.666 15.384 11.283 279 HZ2 LYS 620 1HZ LYS 620 -6.912 16.157 10.477 280 HZ3 LYS 620 2HZ LYS 620 -6.137 16.933 11.741 281 H TYR 621 H TYR 621 -4.826 15.566 5.199 282 HA TYR 621 HA TYR 621 -3.295 16.456 2.819 283 HB2 TYR 621 2HB TYR 621 -2.555 14.099 4.541 284 HB3 TYR 621 1HB TYR 621 -1.699 14.702 3.135 285 HD1 TYR 621 2HD TYR 621 -0.554 16.951 3.323 286 HD2 TYR 621 1HD TYR 621 -2.113 14.879 6.686 287 HE1 TYR 621 2HE TYR 621 0.864 18.292 4.814 288 HE2 TYR 621 1HE TYR 621 -0.705 16.209 8.177 289 HH TYR 621 HH TYR 621 0.899 18.997 7.059 290 H GLU 622 H GLU 622 -3.382 15.095 1.058 291 HA GLU 622 HA GLU 622 -5.154 12.751 1.136 292 HB2 GLU 622 2HB GLU 622 -3.871 14.220 -1.168 293 HB3 GLU 622 1HB GLU 622 -4.788 12.742 -1.325 294 HG2 GLU 622 2HG GLU 622 -6.746 13.936 -0.486 295 HG3 GLU 622 1HG GLU 622 -5.784 15.426 -0.476 296 H PHE 623 H PHE 623 -4.158 10.806 1.104 297 HA PHE 623 HA PHE 623 -1.280 10.775 0.474 298 HB2 PHE 623 2HB PHE 623 -2.812 8.759 2.154 299 HB3 PHE 623 1HB PHE 623 -1.089 8.838 1.893 300 HD1 PHE 623 2HD PHE 623 -3.916 10.425 3.623 301 HD2 PHE 623 1HD PHE 623 0.302 10.306 3.123 302 HE1 PHE 623 2HE PHE 623 -3.647 11.798 5.636 303 HE2 PHE 623 1HE PHE 623 0.578 11.680 5.127 304 HZ PHE 623 HZ PHE 623 -1.397 12.432 6.394 305 H HIS 624 H HIS 624 -0.826 9.692 -1.359 306 HA HIS 624 HA HIS 624 -2.867 7.786 -2.203 307 HB2 HIS 624 2HB HIS 624 -1.131 9.568 -3.931 308 HB3 HIS 624 1HB HIS 624 -2.110 8.251 -4.569 309 HD1 HIS 624 1HD HIS 624 -4.507 8.808 -5.138 310 HD2 HIS 624 2HD HIS 624 -2.812 11.755 -2.711 311 HE1 HIS 624 1HE HIS 624 -6.188 10.662 -5.008 312 HE2 HIS 624 2HE HIS 624 -5.185 12.401 -3.539 313 H ILE 625 H ILE 625 -2.287 5.772 -2.351 314 HA ILE 625 HA ILE 625 0.594 5.095 -2.123 315 HB ILE 625 HB ILE 625 -1.648 3.763 -0.579 316 HG12 ILE 625 1HG ILE 625 0.299 5.853 0.410 317 HG23 ILE 625 2HG ILE 625 0.165 2.811 0.757 318 HD11 ILE 625 1HD ILE 625 -1.936 4.458 1.841 319 H ASN 626 H ASN 626 1.038 2.880 -2.830 320 HA ASN 626 HA ASN 626 -1.080 1.436 -4.113 321 HB2 ASN 626 2HB ASN 626 0.006 3.079 -5.774 322 HB3 ASN 626 1HB ASN 626 1.467 2.105 -5.610 323 HD21 ASN 626 2HD ASN 626 0.062 0.862 -8.571 324 H VAL 627 H VAL 627 -0.316 -0.826 -4.466 325 HA VAL 627 HA VAL 627 1.389 -1.484 -2.238 326 HB VAL 627 HB VAL 627 -0.049 -3.333 -4.166 327 HG13 VAL 627 1HG VAL 627 0.389 -5.119 -2.535 328 HG21 VAL 627 2HG VAL 627 -1.502 -1.965 -2.813 329 H CYS 628 H CYS 628 1.716 -1.440 -5.565 330 HA CYS 628 HA CYS 628 4.564 -1.973 -5.375 331 HB2 CYS 628 2HB CYS 628 2.743 -3.478 -7.274 332 HB3 CYS 628 1HB CYS 628 4.492 -3.459 -7.369 333 H GLY 629 H GLY 629 5.700 -0.828 -6.889 334 HA2 GLY 629 2HA GLY 629 6.096 0.420 -8.774 335 HA3 GLY 629 1HA GLY 629 4.427 0.165 -9.258 336 HA PRO 630 HA PRO 630 4.787 4.514 -7.805 337 HB2 PRO 630 2HB PRO 630 3.831 5.426 -10.338 338 HB3 PRO 630 1HB PRO 630 5.447 5.613 -9.657 339 HG2 PRO 630 2HG PRO 630 4.840 4.052 -11.864 340 HG3 PRO 630 1HG PRO 630 6.273 3.844 -10.844 341 HD2 PRO 630 2HD PRO 630 3.688 2.340 -10.821 342 HD3 PRO 630 1HD PRO 630 5.348 1.744 -10.596 343 H VAL 631 H VAL 631 3.183 6.147 -7.691 344 HA VAL 631 HA VAL 631 0.411 5.150 -7.855 345 HB VAL 631 HB VAL 631 -0.178 6.984 -6.284 346 HG13 VAL 631 1HG VAL 631 1.976 5.132 -5.364 347 HG21 VAL 631 2HG VAL 631 1.564 8.218 -5.096 348 H SER 632 H SER 632 -1.137 6.391 -8.838 349 HA SER 632 HA SER 632 -0.141 8.602 -10.487 350 HB2 SER 632 2HB SER 632 -2.903 7.367 -10.346 351 HB3 SER 632 1HB SER 632 -2.387 8.582 -11.519 352 HG SER 632 HG SER 632 -0.924 7.145 -12.340 353 H VAL 633 H VAL 633 -0.326 10.702 -9.885 354 HA VAL 633 HA VAL 633 -2.483 11.622 -8.150 355 HB VAL 633 HB VAL 633 0.409 12.237 -7.454 356 HG13 VAL 633 1HG VAL 633 -2.127 12.840 -5.953 357 HG21 VAL 633 2HG VAL 633 0.158 10.889 -5.418 358 H GLY 634 H GLY 634 -2.906 13.813 -8.585 359 HA2 GLY 634 2HA GLY 634 -1.622 14.830 -10.979 360 HA3 GLY 634 1HA GLY 634 -3.042 15.490 -10.185 361 H ALA 635 H ALA 635 -0.122 14.812 -8.442 362 HA ALA 635 HA ALA 635 0.854 17.538 -8.561 363 HB1 ALA 635 1HB ALA 635 0.579 18.015 -6.178 364 HB2 ALA 635 2HB ALA 635 -0.251 16.477 -5.962 365 HB3 ALA 635 3HB ALA 635 -0.984 17.738 -6.949 366 H CYS 636 H CYS 636 1.611 14.399 -8.574 367 HA CYS 636 HA CYS 636 4.085 14.786 -7.116 368 HB2 CYS 636 2HB CYS 636 2.313 12.331 -6.908 369 HB3 CYS 636 1HB CYS 636 3.899 12.526 -6.187 370 HA PRO 637 HA PRO 637 5.915 13.148 -10.820 371 HB2 PRO 637 2HB PRO 637 7.556 11.431 -9.034 372 HB3 PRO 637 1HB PRO 637 8.078 12.571 -10.277 373 HG2 PRO 637 2HG PRO 637 8.323 13.175 -7.696 374 HG3 PRO 637 1HG PRO 637 7.845 14.406 -8.878 375 HD2 PRO 637 2HD PRO 637 6.141 12.935 -6.899 376 HD3 PRO 637 1HD PRO 637 6.073 14.623 -7.439 377 HA PRO 638 HA PRO 638 3.773 9.289 -11.398 378 HB2 PRO 638 2HB PRO 638 4.597 8.683 -13.880 379 HB3 PRO 638 1HB PRO 638 3.541 10.068 -13.567 380 HG2 PRO 638 2HG PRO 638 6.506 10.013 -13.988 381 HG3 PRO 638 1HG PRO 638 5.302 11.117 -14.681 382 HD2 PRO 638 2HD PRO 638 6.851 11.752 -12.530 383 HD3 PRO 638 1HD PRO 638 5.225 12.412 -12.786 384 H ASP 639 H ASP 639 6.672 9.338 -10.289 385 HA ASP 639 HA ASP 639 7.110 6.470 -10.680 386 HB2 ASP 639 2HB ASP 639 8.801 7.763 -12.011 387 HB3 ASP 639 1HB ASP 639 9.353 8.516 -10.524 388 H SER 640 H SER 640 6.119 8.675 -8.608 389 HA SER 640 HA SER 640 7.602 7.839 -6.261 390 HB2 SER 640 2HB SER 640 5.137 9.581 -6.559 391 HB3 SER 640 1HB SER 640 6.088 9.379 -5.088 392 HG SER 640 HG SER 640 7.648 10.087 -7.191 393 H GLY 641 H GLY 641 6.723 6.411 -4.677 394 HA2 GLY 641 2HA GLY 641 4.443 4.927 -5.712 395 HA3 GLY 641 1HA GLY 641 5.666 4.247 -4.664 396 H ALA 642 H ALA 642 5.350 6.937 -3.104 397 HA ALA 642 HA ALA 642 2.595 6.834 -2.171 398 HB1 ALA 642 1HB ALA 642 3.288 6.806 0.191 399 HB2 ALA 642 2HB ALA 642 4.968 6.612 -0.307 400 HB3 ALA 642 3HB ALA 642 3.797 5.337 -0.640 401 H CYS 643 H CYS 643 1.864 8.884 -2.067 402 HA CYS 643 HA CYS 643 3.737 11.019 -1.391 403 HB2 CYS 643 2HB CYS 643 3.824 10.707 -3.860 404 HB3 CYS 643 1HB CYS 643 2.125 11.107 -3.930 405 H GLN 644 H GLN 644 2.850 12.744 -0.352 406 HA GLN 644 HA GLN 644 -0.057 12.685 -0.033 407 HB2 GLN 644 2HB GLN 644 0.236 13.812 2.157 408 HB3 GLN 644 1HB GLN 644 0.987 12.216 2.141 409 HG2 GLN 644 2HG GLN 644 3.163 13.330 1.915 410 HG3 GLN 644 1HG GLN 644 2.330 14.882 1.865 411 HE21 GLN 644 2HE GLN 644 3.502 13.997 5.336 412 H VAL 645 H VAL 645 -1.174 14.426 -0.312 413 HA VAL 645 HA VAL 645 0.215 16.900 -1.117 414 HB VAL 645 HB VAL 645 -2.488 15.906 -2.083 415 HG13 VAL 645 1HG VAL 645 -0.852 18.282 -2.969 416 HG21 VAL 645 2HG VAL 645 0.145 15.977 -3.557 417 H SER 646 H SER 646 -0.207 18.541 0.213 418 HA SER 646 HA SER 646 -2.161 18.170 2.290 419 HB2 SER 646 2HB SER 646 -0.018 19.168 2.865 420 HB3 SER 646 1HB SER 646 -0.300 20.510 1.754 421 HG SER 646 HG SER 646 -0.952 20.329 4.285 422 H ARG 647 H ARG 647 -3.980 19.206 2.557 423 HA ARG 647 HA ARG 647 -5.147 20.565 0.261 424 HB2 ARG 647 2HB ARG 647 -6.320 19.667 2.894 425 HB3 ARG 647 1HB ARG 647 -7.234 20.432 1.610 426 HG2 ARG 647 2HG ARG 647 -6.738 18.551 0.134 427 HG3 ARG 647 1HG ARG 647 -5.804 17.792 1.425 428 HD2 ARG 647 2HD ARG 647 -7.747 17.579 2.798 429 HD3 ARG 647 1HD ARG 647 -8.728 18.509 1.683 430 HE ARG 647 HE ARG 647 -7.526 16.127 0.614 431 HH12 ARG 647 1HH ARG 647 -11.461 16.395 1.586 432 HH21 ARG 647 2HH ARG 647 -10.705 14.561 0.341 433 H SER 648 H SER 648 -4.340 21.086 3.624 434 HA SER 648 HA SER 648 -5.363 23.754 3.637 435 HB2 SER 648 2HB SER 648 -3.777 22.240 5.700 436 HB3 SER 648 1HB SER 648 -4.707 23.723 5.964 437 HG SER 648 HG SER 648 -6.513 22.370 5.064 438 H ASP 649 H ASP 649 -2.145 22.221 3.517 439 HA ASP 649 HA ASP 649 -0.890 24.876 3.701 440 HB2 ASP 649 2HB ASP 649 -0.192 22.788 5.034 441 HB3 ASP 649 1HB ASP 649 0.523 22.226 3.530 442 H ARG 650 H ARG 650 -1.962 22.715 1.449 443 HA ARG 650 HA ARG 650 -1.806 22.365 -0.776 444 HB2 ARG 650 2HB ARG 650 -0.809 25.202 -0.713 445 HB3 ARG 650 1HB ARG 650 -1.412 24.359 -2.137 446 HG2 ARG 650 2HG ARG 650 -3.584 24.117 -1.120 447 HG3 ARG 650 1HG ARG 650 -2.993 24.867 0.361 448 HD2 ARG 650 2HD ARG 650 -4.219 26.457 -0.913 449 HD3 ARG 650 1HD ARG 650 -2.508 26.888 -0.867 450 HE ARG 650 HE ARG 650 -3.123 25.376 -3.198 451 HH12 ARG 650 1HH ARG 650 -3.452 29.408 -3.389 452 HH21 ARG 650 2HH ARG 650 -3.395 28.162 -5.331 453 H LYS 651 H LYS 651 0.720 21.842 0.827 454 HA LYS 651 HA LYS 651 2.635 21.900 -1.402 455 HB2 LYS 651 2HB LYS 651 3.043 21.258 1.514 456 HB3 LYS 651 1HB LYS 651 4.285 21.079 0.295 457 HG2 LYS 651 2HG LYS 651 4.169 23.498 -0.125 458 HG3 LYS 651 1HG LYS 651 2.944 23.613 1.147 459 HD2 LYS 651 2HD LYS 651 4.550 22.694 2.765 460 HD3 LYS 651 1HD LYS 651 5.775 22.610 1.503 461 HE2 LYS 651 2HE LYS 651 5.701 25.024 1.243 462 HE3 LYS 651 1HE LYS 651 4.426 25.129 2.459 463 HZ1 LYS 651 3HZ LYS 651 6.583 25.667 3.395 464 HZ2 LYS 651 1HZ LYS 651 7.196 24.172 2.912 465 HZ3 LYS 651 2HZ LYS 651 5.997 24.240 4.088 466 H SER 652 H SER 652 4.081 19.843 -1.278 467 HA SER 652 HA SER 652 2.454 17.506 -0.750 468 HB2 SER 652 2HB SER 652 3.134 16.521 -2.935 469 HB3 SER 652 1HB SER 652 2.149 17.966 -3.138 470 HG SER 652 HG SER 652 4.630 17.442 -3.974 471 H TRP 653 H TRP 653 3.667 15.661 -0.321 472 HA TRP 653 HA TRP 653 6.634 15.811 -0.220 473 HB2 TRP 653 2HB TRP 653 4.931 14.809 2.079 474 HB3 TRP 653 1HB TRP 653 6.661 14.734 1.944 475 HD1 TRP 653 HD TRP 653 8.006 16.732 2.952 476 HE1 TRP 653 1HE TRP 653 7.354 18.824 4.251 477 HE3 TRP 653 3HE TRP 653 3.033 16.655 1.991 478 HZ2 TRP 653 2HZ TRP 653 4.957 20.320 4.755 479 HZ3 TRP 653 3HZ TRP 653 1.628 18.356 2.853 480 HH2 TRP 653 HH TRP 653 2.542 20.223 4.242 481 H ASN 654 H ASN 654 7.598 14.051 -0.404 482 HA ASN 654 HA ASN 654 5.986 11.928 -1.527 483 HB2 ASN 654 2HB ASN 654 7.922 13.082 -2.676 484 HB3 ASN 654 1HB ASN 654 8.958 12.356 -1.462 485 HD21 ASN 654 2HD ASN 654 8.585 10.526 -4.714 486 H LEU 655 H LEU 655 5.878 9.979 -0.415 487 HA LEU 655 HA LEU 655 7.286 9.983 2.168 488 HB2 LEU 655 2HB LEU 655 4.835 8.374 1.487 489 HB3 LEU 655 1HB LEU 655 5.616 8.516 3.036 490 HG LEU 655 HG LEU 655 4.914 11.010 2.873 491 HD13 LEU 655 1HD LEU 655 2.871 11.311 1.740 492 HD21 LEU 655 2HD LEU 655 2.761 10.495 3.840 493 H GLY 656 H GLY 656 7.595 8.815 -0.795 494 HA2 GLY 656 2HA GLY 656 9.541 7.136 -0.331 495 HA3 GLY 656 1HA GLY 656 8.147 6.111 -0.056 496 H ARG 657 H ARG 657 10.262 6.307 -2.095 497 HA ARG 657 HA ARG 657 8.743 6.874 -4.466 498 HB2 ARG 657 2HB ARG 657 11.069 7.708 -4.162 499 HB3 ARG 657 1HB ARG 657 11.621 6.046 -4.165 500 HG2 ARG 657 2HG ARG 657 11.073 5.731 -6.349 501 HG3 ARG 657 1HG ARG 657 10.096 7.211 -6.453 502 HD2 ARG 657 2HD ARG 657 12.197 8.490 -6.022 503 HD3 ARG 657 1HD ARG 657 13.088 6.972 -6.132 504 HE ARG 657 HE ARG 657 11.754 6.961 -8.432 505 HH12 ARG 657 1HH ARG 657 14.007 10.297 -8.423 506 HH21 ARG 657 2HH ARG 657 13.328 9.232 -10.484 507 H SER 658 H SER 658 8.500 5.237 -6.118 508 HA SER 658 HA SER 658 7.249 3.001 -5.409 509 HB2 SER 658 2HB SER 658 8.902 3.472 -7.812 510 HB3 SER 658 1HB SER 658 7.543 2.315 -7.724 511 HG SER 658 HG SER 658 7.614 5.039 -8.029 512 H ASN 659 H ASN 659 7.679 1.074 -4.636 513 HA ASN 659 HA ASN 659 10.015 -0.435 -5.124 514 HB2 ASN 659 2HB ASN 659 10.927 0.929 -3.384 515 HB3 ASN 659 1HB ASN 659 9.435 0.877 -2.459 516 HD21 ASN 659 2HD ASN 659 10.312 -1.921 -0.719 517 H ALA 660 H ALA 660 9.597 -2.636 -4.284 518 HA ALA 660 HA ALA 660 6.738 -3.037 -3.657 519 HB1 ALA 660 1HB ALA 660 8.371 -4.526 -5.694 520 HB2 ALA 660 2HB ALA 660 7.076 -3.385 -6.027 521 HB3 ALA 660 3HB ALA 660 6.707 -4.925 -5.243 522 H LYS 661 H LYS 661 9.065 -3.159 -1.784 523 HA LYS 661 HA LYS 661 9.520 -5.950 -1.488 524 HB2 LYS 661 2HB LYS 661 11.399 -4.334 -1.474 525 HB3 LYS 661 1HB LYS 661 10.667 -3.494 -0.130 526 HG2 LYS 661 2HG LYS 661 11.568 -6.349 0.030 527 HG3 LYS 661 1HG LYS 661 12.633 -4.985 0.347 528 HD2 LYS 661 2HD LYS 661 10.032 -5.263 1.581 529 HD3 LYS 661 1HD LYS 661 11.437 -6.092 2.361 530 HE2 LYS 661 2HE LYS 661 12.437 -3.692 2.301 531 HE3 LYS 661 1HE LYS 661 10.791 -3.158 1.951 532 HZ1 LYS 661 3HZ LYS 661 11.791 -4.583 4.301 533 HZ2 LYS 661 1HZ LYS 661 10.145 -4.334 4.097 534 HZ3 LYS 661 2HZ LYS 661 11.227 -3.022 4.311 535 H LEU 662 H LEU 662 8.071 -7.084 -0.366 536 HA LEU 662 HA LEU 662 6.433 -5.835 1.691 537 HB2 LEU 662 2HB LEU 662 6.425 -8.618 0.543 538 HB3 LEU 662 1HB LEU 662 5.294 -8.048 1.764 539 HG LEU 662 HG LEU 662 5.493 -7.179 -1.120 540 HD13 LEU 662 1HD LEU 662 3.272 -8.168 -1.287 541 HD21 LEU 662 2HD LEU 662 3.600 -6.248 1.029 542 H SER 663 H SER 663 6.297 -6.701 3.805 543 HA SER 663 HA SER 663 8.539 -8.388 4.690 544 HB2 SER 663 2HB SER 663 7.683 -5.802 6.002 545 HB3 SER 663 1HB SER 663 9.042 -6.822 6.469 546 HG SER 663 HG SER 663 9.316 -6.384 3.960 547 H TYR 664 H TYR 664 7.892 -9.798 6.354 548 HA TYR 664 HA TYR 664 5.124 -9.471 7.316 549 HB2 TYR 664 2HB TYR 664 6.042 -11.619 6.102 550 HB3 TYR 664 1HB TYR 664 6.849 -11.922 7.625 551 HD1 TYR 664 2HD TYR 664 3.509 -11.249 6.189 552 HD2 TYR 664 1HD TYR 664 5.661 -13.196 9.320 553 HE1 TYR 664 2HE TYR 664 1.474 -12.397 6.864 554 HE2 TYR 664 1HE TYR 664 3.639 -14.348 9.991 555 HH TYR 664 HH TYR 664 1.219 -14.268 9.785 556 H TYR 665 H TYR 665 5.072 -8.614 9.287 557 HA TYR 665 HA TYR 665 7.561 -8.595 10.830 558 HB2 TYR 665 2HB TYR 665 6.422 -6.435 10.443 559 HB3 TYR 665 1HB TYR 665 5.017 -7.032 11.310 560 HD1 TYR 665 1HD TYR 665 8.705 -6.691 11.869 561 HD2 TYR 665 2HD TYR 665 4.793 -6.297 13.488 562 HE1 TYR 665 1HE TYR 665 9.666 -5.792 13.945 563 HE2 TYR 665 2HE TYR 665 5.746 -5.400 15.572 564 HH TYR 665 HH TYR 665 7.829 -5.475 16.770 565 H ASP 666 H ASP 666 4.308 -8.723 12.038 566 HA ASP 666 HA ASP 666 5.007 -11.264 13.260 567 HB2 ASP 666 2HB ASP 666 5.392 -9.547 15.007 568 HB3 ASP 666 1HB ASP 666 3.726 -9.001 14.814 569 H GLY 667 H GLY 667 3.779 -12.293 11.876 570 HA2 GLY 667 2HA GLY 667 1.930 -13.207 10.984 571 HA3 GLY 667 1HA GLY 667 1.091 -12.716 12.430 572 H MET 668 H MET 668 2.503 -10.276 10.477 573 HA MET 668 HA MET 668 0.029 -9.715 9.040 574 HB2 MET 668 2HB MET 668 1.443 -7.715 10.828 575 HB3 MET 668 1HB MET 668 0.177 -7.297 9.685 576 HG2 MET 668 2HG MET 668 -1.410 -8.675 10.945 577 HG3 MET 668 1HG MET 668 -0.132 -9.108 12.076 578 HE1 MET 668 3HE MET 668 0.606 -5.647 13.812 579 HE2 MET 668 1HE MET 668 1.427 -6.298 12.395 580 HE3 MET 668 2HE MET 668 1.028 -7.357 13.746 581 H ILE 669 H ILE 669 0.396 -8.821 7.085 582 HA ILE 669 HA ILE 669 3.142 -8.737 6.198 583 HB ILE 669 HB ILE 669 0.562 -8.348 4.619 584 HG12 ILE 669 1HG ILE 669 2.520 -10.539 4.526 585 HG23 ILE 669 2HG ILE 669 2.504 -7.182 3.574 586 HD11 ILE 669 1HD ILE 669 0.754 -11.895 3.476 587 H GLN 670 H GLN 670 4.176 -7.020 5.578 588 HA GLN 670 HA GLN 670 2.911 -4.429 5.888 589 HB2 GLN 670 2HB GLN 670 5.485 -5.411 6.928 590 HB3 GLN 670 1HB GLN 670 5.327 -3.714 6.478 591 HG2 GLN 670 2HG GLN 670 3.463 -3.446 7.936 592 HG3 GLN 670 1HG GLN 670 3.482 -5.163 8.324 593 HE21 GLN 670 2HE GLN 670 5.182 -4.024 11.079 594 H LEU 671 H LEU 671 3.570 -2.844 4.541 595 HA LEU 671 HA LEU 671 5.261 -3.526 2.211 596 HB2 LEU 671 2HB LEU 671 2.884 -3.235 1.561 597 HB3 LEU 671 1HB LEU 671 2.848 -1.710 2.414 598 HG LEU 671 HG LEU 671 4.396 -0.748 0.735 599 HD13 LEU 671 1HD LEU 671 4.677 -1.927 -1.396 600 HD21 LEU 671 2HD LEU 671 2.788 -0.625 -1.066 601 H THR 672 H THR 672 6.879 -2.016 1.869 602 HA THR 672 HA THR 672 6.847 0.277 3.681 603 HB THR 672 HB THR 672 9.217 -1.567 3.254 604 HG1 THR 672 1HG THR 672 7.132 -1.579 4.978 605 HG21 THR 672 2HG THR 672 10.272 -0.233 5.040 606 H TYR 673 H TYR 673 7.202 2.077 2.662 607 HA TYR 673 HA TYR 673 8.790 2.033 0.195 608 HB2 TYR 673 2HB TYR 673 6.649 3.992 1.034 609 HB3 TYR 673 1HB TYR 673 7.810 4.292 -0.249 610 HD1 TYR 673 1HD TYR 673 8.007 2.086 -1.815 611 HD2 TYR 673 2HD TYR 673 4.544 3.451 0.202 612 HE1 TYR 673 1HE TYR 673 6.603 1.014 -3.497 613 HE2 TYR 673 2HE TYR 673 3.136 2.362 -1.499 614 HH TYR 673 HH TYR 673 4.285 0.075 -3.657 615 H ARG 674 H ARG 674 10.606 3.086 0.068 616 HA ARG 674 HA ARG 674 11.242 5.006 2.158 617 HB2 ARG 674 2HB ARG 674 13.063 3.001 0.833 618 HB3 ARG 674 1HB ARG 674 13.660 4.361 1.767 619 HG2 ARG 674 2HG ARG 674 12.480 3.498 3.734 620 HG3 ARG 674 1HG ARG 674 11.937 2.115 2.781 621 HD2 ARG 674 2HD ARG 674 14.213 1.422 2.411 622 HD3 ARG 674 1HD ARG 674 14.817 2.870 3.217 623 HE ARG 674 HE ARG 674 13.157 1.500 4.984 624 HH12 ARG 674 1HH ARG 674 16.952 0.139 4.684 625 HH21 ARG 674 2HH ARG 674 15.685 -0.297 6.621 626 H ASP 675 H ASP 675 13.352 6.259 1.273 627 HA ASP 675 HA ASP 675 14.295 7.698 -0.180 628 HB2 ASP 675 2HB ASP 675 13.951 5.911 -2.074 629 HB3 ASP 675 1HB ASP 675 12.436 6.715 -2.367 630 H GLY 676 H GLY 676 11.674 7.872 1.271 631 HA2 GLY 676 2HA GLY 676 10.116 9.890 0.010 632 HA3 GLY 676 1HA GLY 676 10.057 9.431 1.705 633 H THR 677 H THR 677 9.702 11.974 1.208 634 HA THR 677 HA THR 677 12.102 13.550 1.138 635 HB THR 677 HB THR 677 9.252 14.338 1.843 636 HG1 THR 677 1HG THR 677 10.539 13.728 -0.531 637 HG21 THR 677 2HG THR 677 10.948 16.030 2.432 638 HA PRO 678 HA PRO 678 12.710 13.136 5.678 639 HB2 PRO 678 2HB PRO 678 14.676 15.289 5.262 640 HB3 PRO 678 1HB PRO 678 14.924 13.665 5.909 641 HG2 PRO 678 2HG PRO 678 15.839 14.346 3.496 642 HG3 PRO 678 1HG PRO 678 15.197 12.725 3.817 643 HD2 PRO 678 2HD PRO 678 13.884 15.040 2.431 644 HD3 PRO 678 1HD PRO 678 13.880 13.312 2.016 645 H TYR 679 H TYR 679 12.085 14.271 7.430 646 HA TYR 679 HA TYR 679 10.571 16.732 6.940 647 HB2 TYR 679 2HB TYR 679 10.931 15.702 9.740 648 HB3 TYR 679 1HB TYR 679 9.561 16.417 8.889 649 HD1 TYR 679 2HD TYR 679 11.428 13.267 9.342 650 HD2 TYR 679 1HD TYR 679 7.855 15.089 7.998 651 HE1 TYR 679 2HE TYR 679 10.389 11.040 9.126 652 HE2 TYR 679 1HE TYR 679 6.810 12.899 7.779 653 HH TYR 679 HH TYR 679 8.148 10.044 9.077 654 H ASN 680 H ASN 680 10.916 18.205 9.168 655 HA ASN 680 HA ASN 680 13.678 18.975 9.080 656 HB2 ASN 680 2HB ASN 680 11.361 20.102 10.677 657 HB3 ASN 680 1HB ASN 680 13.009 20.690 10.826 658 HD21 ASN 680 2HD ASN 680 12.035 23.090 8.502 659 H ASN 681 H ASN 681 14.755 17.272 9.837 660 HA ASN 681 HA ASN 681 14.827 17.017 12.728 661 HB2 ASN 681 2HB ASN 681 13.452 15.102 12.055 662 HB3 ASN 681 1HB ASN 681 14.631 14.650 10.833 663 HD21 ASN 681 2HD ASN 681 15.671 12.297 13.234 664 H GLU 682 H GLU 682 16.862 16.992 13.452 665 HA GLU 682 HA GLU 682 18.929 17.743 11.706 666 HB2 GLU 682 2HB GLU 682 19.098 16.743 14.532 667 HB3 GLU 682 1HB GLU 682 20.392 17.555 13.662 668 HG2 GLU 682 2HG GLU 682 19.038 19.551 13.470 669 HG3 GLU 682 1HG GLU 682 17.707 18.749 14.297 670 H LYS 683 H LYS 683 17.989 14.605 12.925 671 HA LYS 683 HA LYS 683 20.386 13.313 12.036 672 HB2 LYS 683 2HB LYS 683 17.716 12.258 12.918 673 HB3 LYS 683 1HB LYS 683 19.135 11.282 12.557 674 HG2 LYS 683 2HG LYS 683 20.334 12.264 14.409 675 HG3 LYS 683 1HG LYS 683 18.999 13.379 14.721 676 HD2 LYS 683 2HD LYS 683 19.009 11.429 16.257 677 HD3 LYS 683 1HD LYS 683 17.538 11.544 15.288 678 HE2 LYS 683 2HE LYS 683 18.420 9.919 13.746 679 HE3 LYS 683 1HE LYS 683 19.903 9.763 14.690 680 HZ1 LYS 683 3HZ LYS 683 18.565 8.904 16.523 681 HZ2 LYS 683 1HZ LYS 683 18.335 7.979 15.136 682 HZ3 LYS 683 2HZ LYS 683 17.155 9.082 15.616 683 H ARG 684 H ARG 684 17.889 14.672 10.378 684 HA ARG 684 HA ARG 684 16.670 14.300 8.564 685 HB2 ARG 684 2HB ARG 684 19.349 13.411 7.608 686 HB3 ARG 684 1HB ARG 684 17.966 13.471 6.536 687 HG2 ARG 684 2HG ARG 684 17.726 15.884 7.088 688 HG3 ARG 684 1HG ARG 684 19.246 15.765 7.987 689 HD2 ARG 684 2HD ARG 684 20.400 15.028 5.992 690 HD3 ARG 684 1HD ARG 684 18.873 15.019 5.114 691 HE ARG 684 HE ARG 684 19.324 17.570 6.171 692 HH12 ARG 684 1HH ARG 684 21.049 16.702 2.585 693 HH21 ARG 684 2HH ARG 684 20.631 18.952 3.192 694 H THR 685 H THR 685 15.179 12.968 9.127 695 HA THR 685 HA THR 685 15.676 10.258 8.244 696 HB THR 685 HB THR 685 15.009 10.312 10.625 697 HG1 THR 685 1HG THR 685 13.874 8.574 10.374 698 HG21 THR 685 2HG THR 685 12.418 11.462 9.630 699 HA PRO 686 HA PRO 686 13.105 11.505 4.801 700 HB2 PRO 686 2HB PRO 686 13.554 8.692 4.045 701 HB3 PRO 686 1HB PRO 686 13.931 10.163 3.145 702 HG2 PRO 686 2HG PRO 686 15.869 8.696 4.229 703 HG3 PRO 686 1HG PRO 686 15.950 10.467 4.236 704 HD2 PRO 686 2HD PRO 686 15.144 8.614 6.456 705 HD3 PRO 686 1HD PRO 686 16.207 10.050 6.472 706 H ARG 687 H ARG 687 10.974 11.501 4.874 707 HA ARG 687 HA ARG 687 9.374 10.016 6.537 708 HB2 ARG 687 2HB ARG 687 8.738 12.124 5.518 709 HB3 ARG 687 1HB ARG 687 8.794 11.396 3.927 710 HG2 ARG 687 2HG ARG 687 6.919 9.996 4.488 711 HG3 ARG 687 1HG ARG 687 6.888 10.691 6.117 712 HD2 ARG 687 2HD ARG 687 6.557 12.336 3.586 713 HD3 ARG 687 1HD ARG 687 5.234 11.674 4.545 714 HE ARG 687 HE ARG 687 5.654 13.143 6.232 715 HH12 ARG 687 1HH ARG 687 8.371 15.303 4.171 716 HH21 ARG 687 2HH ARG 687 7.073 16.325 5.854 717 H ALA 688 H ALA 688 8.395 8.050 6.367 718 HA ALA 688 HA ALA 688 8.753 6.588 3.867 719 HB1 ALA 688 1HB ALA 688 10.466 5.880 5.471 720 HB2 ALA 688 2HB ALA 688 9.300 4.591 5.173 721 HB3 ALA 688 3HB ALA 688 9.212 5.538 6.659 722 H THR 689 H THR 689 7.273 4.856 3.633 723 HA THR 689 HA THR 689 4.736 5.256 5.087 724 HB THR 689 HB THR 689 5.131 4.390 2.215 725 HG1 THR 689 1HG THR 689 5.632 6.569 2.715 726 HG21 THR 689 2HG THR 689 3.092 3.514 3.230 727 H LEU 690 H LEU 690 4.094 3.420 6.144 728 HA LEU 690 HA LEU 690 4.945 0.985 4.958 729 HB2 LEU 690 2HB LEU 690 6.488 1.440 6.740 730 HB3 LEU 690 1HB LEU 690 5.183 1.756 7.855 731 HG LEU 690 HG LEU 690 5.413 -0.933 6.609 732 HD13 LEU 690 1HD LEU 690 7.639 -0.409 7.461 733 HD21 LEU 690 2HD LEU 690 4.452 -1.629 8.758 734 H ILE 691 H ILE 691 3.275 -0.183 4.558 735 HA ILE 691 HA ILE 691 0.697 0.399 5.837 736 HB ILE 691 HB ILE 691 1.279 -1.386 3.437 737 HG12 ILE 691 1HG ILE 691 0.070 0.244 2.071 738 HG23 ILE 691 2HG ILE 691 -0.621 -2.160 4.630 739 HD11 ILE 691 1HD ILE 691 2.374 1.589 3.423 740 H THR 692 H THR 692 -0.202 -1.061 7.204 741 HA THR 692 HA THR 692 1.111 -3.661 7.386 742 HB THR 692 HB THR 692 -0.541 -2.231 9.503 743 HG1 THR 692 1HG THR 692 1.938 -1.863 8.667 744 HG21 THR 692 2HG THR 692 1.258 -4.668 9.650 745 H PHE 693 H PHE 693 -0.067 -5.229 6.545 746 HA PHE 693 HA PHE 693 -2.848 -4.738 5.884 747 HB2 PHE 693 2HB PHE 693 -1.096 -7.120 5.193 748 HB3 PHE 693 1HB PHE 693 -2.686 -6.764 4.540 749 HD1 PHE 693 2HD PHE 693 -2.970 -4.735 3.101 750 HD2 PHE 693 1HD PHE 693 0.826 -6.241 4.233 751 HE1 PHE 693 2HE PHE 693 -1.901 -3.441 1.255 752 HE2 PHE 693 1HE PHE 693 1.892 -4.964 2.410 753 HZ PHE 693 HZ PHE 693 0.519 -3.571 0.920 754 H LEU 694 H LEU 694 -4.302 -5.259 7.314 755 HA LEU 694 HA LEU 694 -3.915 -7.679 8.945 756 HB2 LEU 694 2HB LEU 694 -5.647 -5.265 9.553 757 HB3 LEU 694 1HB LEU 694 -5.624 -6.728 10.496 758 HG LEU 694 HG LEU 694 -3.192 -6.179 11.027 759 HD13 LEU 694 1HD LEU 694 -3.987 -3.494 9.930 760 HD21 LEU 694 2HD LEU 694 -3.816 -4.604 12.767 761 H CYS 695 H CYS 695 -5.687 -9.098 9.014 762 HA CYS 695 HA CYS 695 -7.674 -8.426 7.022 763 HB2 CYS 695 2HB CYS 695 -8.069 -10.953 6.827 764 HB3 CYS 695 1HB CYS 695 -6.526 -10.370 6.252 765 H ASP 696 H ASP 696 -8.280 -7.158 8.886 766 HA ASP 696 HA ASP 696 -9.982 -8.521 10.819 767 HB2 ASP 696 2HB ASP 696 -8.456 -6.738 11.590 768 HB3 ASP 696 1HB ASP 696 -9.232 -5.606 10.493 769 H ARG 697 H ARG 697 -12.045 -8.814 10.346 770 HA ARG 697 HA ARG 697 -14.153 -8.584 9.550 771 HB2 ARG 697 2HB ARG 697 -13.938 -6.205 10.317 772 HB3 ARG 697 1HB ARG 697 -13.289 -5.782 8.761 773 HG2 ARG 697 2HG ARG 697 -15.583 -5.028 8.937 774 HG3 ARG 697 1HG ARG 697 -15.484 -6.300 7.729 775 HD2 ARG 697 2HD ARG 697 -16.368 -6.747 10.594 776 HD3 ARG 697 1HD ARG 697 -17.475 -6.393 9.285 777 HE ARG 697 HE ARG 697 -16.759 -8.507 8.251 778 HH12 ARG 697 1HH ARG 697 -16.237 -9.795 12.024 779 HH21 ARG 697 2HH ARG 697 -16.587 -11.327 10.289 780 H ASP 698 H ASP 698 -15.331 -8.066 7.347 781 HA ASP 698 HA ASP 698 -13.739 -9.452 5.395 782 HB2 ASP 698 2HB ASP 698 -16.683 -8.799 5.460 783 HB3 ASP 698 1HB ASP 698 -15.895 -9.603 4.112 784 H ALA 699 H ALA 699 -12.574 -8.412 4.079 785 HA ALA 699 HA ALA 699 -13.678 -6.333 2.447 786 HB1 ALA 699 1HB ALA 699 -11.166 -5.939 4.107 787 HB2 ALA 699 2HB ALA 699 -12.673 -5.037 4.277 788 HB3 ALA 699 3HB ALA 699 -11.705 -4.866 2.814 789 H GLY 700 H GLY 700 -13.032 -6.832 0.461 790 HA2 GLY 700 2HA GLY 700 -11.508 -9.175 0.033 791 HA3 GLY 700 1HA GLY 700 -12.150 -8.120 -1.216 792 H VAL 701 H VAL 701 -10.924 -6.112 -1.580 793 HA VAL 701 HA VAL 701 -8.139 -6.859 -1.844 794 HB VAL 701 HB VAL 701 -9.488 -4.322 -2.840 795 HG13 VAL 701 1HG VAL 701 -6.926 -5.643 -3.666 796 HG21 VAL 701 2HG VAL 701 -10.612 -6.287 -3.771 797 H GLY 702 H GLY 702 -10.109 -4.570 -0.145 798 HA2 GLY 702 2HA GLY 702 -9.549 -3.740 1.969 799 HA3 GLY 702 1HA GLY 702 -7.859 -4.024 1.608 800 H PHE 703 H PHE 703 -9.128 -1.706 2.698 801 HA PHE 703 HA PHE 703 -8.318 0.251 0.671 802 HB2 PHE 703 2HB PHE 703 -10.724 0.348 1.275 803 HB3 PHE 703 1HB PHE 703 -10.271 0.591 2.951 804 HD1 PHE 703 2HD PHE 703 -9.923 2.072 -0.422 805 HD2 PHE 703 1HD PHE 703 -9.970 2.752 3.775 806 HE1 PHE 703 2HE PHE 703 -9.878 4.497 -0.820 807 HE2 PHE 703 1HE PHE 703 -9.919 5.178 3.384 808 HZ PHE 703 HZ PHE 703 -9.864 6.045 1.066 809 HA PRO 704 HA PRO 704 -5.313 1.176 3.881 810 HB2 PRO 704 2HB PRO 704 -4.044 3.236 2.688 811 HB3 PRO 704 1HB PRO 704 -3.809 1.565 2.169 812 HG2 PRO 704 2HG PRO 704 -5.404 3.730 0.908 813 HG3 PRO 704 1HG PRO 704 -4.511 2.400 0.154 814 HD2 PRO 704 2HD PRO 704 -7.278 2.489 0.582 815 HD3 PRO 704 1HD PRO 704 -6.329 1.040 0.203 816 H GLU 705 H GLU 705 -5.461 2.414 5.640 817 HA GLU 705 HA GLU 705 -6.807 5.013 5.472 818 HB2 GLU 705 2HB GLU 705 -7.007 2.891 7.589 819 HB3 GLU 705 1HB GLU 705 -7.665 4.518 7.777 820 HG2 GLU 705 2HG GLU 705 -9.142 4.078 5.827 821 HG3 GLU 705 1HG GLU 705 -8.482 2.461 5.728 822 H TYR 706 H TYR 706 -6.051 6.572 6.979 823 HA TYR 706 HA TYR 706 -3.194 6.226 7.519 824 HB2 TYR 706 2HB TYR 706 -3.822 8.141 6.160 825 HB3 TYR 706 1HB TYR 706 -4.932 8.692 7.405 826 HD1 TYR 706 1HD TYR 706 -1.325 7.709 7.227 827 HD2 TYR 706 2HD TYR 706 -4.196 10.545 8.566 828 HE1 TYR 706 1HE TYR 706 0.470 9.060 8.172 829 HE2 TYR 706 2HE TYR 706 -2.402 11.917 9.532 830 HH TYR 706 HH TYR 706 0.884 11.366 8.801 831 H GLN 707 H GLN 707 -2.323 6.145 9.491 832 HA GLN 707 HA GLN 707 -3.776 6.106 11.926 833 HB2 GLN 707 2HB GLN 707 -0.839 6.779 11.434 834 HB3 GLN 707 1HB GLN 707 -1.537 6.349 12.986 835 HG2 GLN 707 2HG GLN 707 -1.365 4.541 10.579 836 HG3 GLN 707 1HG GLN 707 -0.275 4.641 11.977 837 HE21 GLN 707 2HE GLN 707 -2.138 2.667 14.042 838 H GLU 708 H GLU 708 -4.607 7.809 12.964 839 HA GLU 708 HA GLU 708 -5.136 10.163 11.781 840 HB2 GLU 708 2HB GLU 708 -6.334 9.318 13.702 841 HB3 GLU 708 1HB GLU 708 -4.974 9.708 14.743 842 HG2 GLU 708 2HG GLU 708 -5.288 12.054 14.340 843 HG3 GLU 708 1HG GLU 708 -6.572 11.718 13.181 844 H GLU 709 H GLU 709 -2.476 9.917 14.194 845 HA GLU 709 HA GLU 709 -1.124 12.039 12.776 846 HB2 GLU 709 2HB GLU 709 -2.730 13.155 14.390 847 HB3 GLU 709 1HB GLU 709 -1.875 12.385 15.702 848 HG2 GLU 709 2HG GLU 709 -0.712 14.436 13.803 849 HG3 GLU 709 1HG GLU 709 -1.315 14.773 15.413 850 H ASP 710 H ASP 710 0.744 10.914 12.489 851 HA ASP 710 HA ASP 710 1.958 9.825 14.928 852 HB2 ASP 710 2HB ASP 710 1.466 8.041 13.224 853 HB3 ASP 710 1HB ASP 710 2.570 8.865 12.124 854 H ASN 711 H ASN 711 3.883 10.473 15.429 855 HA ASN 711 HA ASN 711 4.745 12.962 14.540 856 HB2 ASN 711 2HB ASN 711 5.070 12.214 16.811 857 HB3 ASN 711 1HB ASN 711 6.154 10.941 16.275 858 HD21 ASN 711 2HD ASN 711 7.441 14.761 16.755 859 H SER 712 H SER 712 5.814 9.768 13.436 860 HA SER 712 HA SER 712 7.389 11.103 11.455 861 HB2 SER 712 2HB SER 712 9.585 10.056 12.099 862 HB3 SER 712 1HB SER 712 9.017 11.380 13.113 863 HG SER 712 HG SER 712 8.061 9.095 14.103 864 H THR 713 H THR 713 5.780 8.259 12.367 865 HA THR 713 HA THR 713 6.930 6.963 10.016 866 HB THR 713 HB THR 713 5.947 5.543 12.513 867 HG1 THR 713 1HG THR 713 8.166 5.138 12.869 868 HG21 THR 713 2HG THR 713 6.964 3.559 11.435 869 H TYR 714 H TYR 714 5.435 7.140 8.488 870 HA TYR 714 HA TYR 714 2.663 7.347 9.139 871 HB2 TYR 714 2HB TYR 714 4.085 7.256 6.470 872 HB3 TYR 714 1HB TYR 714 2.350 7.455 6.658 873 HD1 TYR 714 1HD TYR 714 5.425 9.021 8.115 874 HD2 TYR 714 2HD TYR 714 1.618 9.641 6.325 875 HE1 TYR 714 1HE TYR 714 5.746 11.422 8.280 876 HE2 TYR 714 2HE TYR 714 1.940 12.071 6.496 877 HH TYR 714 HH TYR 714 3.272 13.645 7.875 878 H ASN 715 H ASN 715 1.971 5.501 9.994 879 HA ASN 715 HA ASN 715 2.311 3.015 8.524 880 HB2 ASN 715 2HB ASN 715 2.264 3.104 11.196 881 HB3 ASN 715 1HB ASN 715 0.616 3.493 10.925 882 HD21 ASN 715 2HD ASN 715 1.689 -0.359 10.296 883 H PHE 716 H PHE 716 0.710 2.089 7.434 884 HA PHE 716 HA PHE 716 -1.808 3.493 7.465 885 HB2 PHE 716 2HB PHE 716 -0.352 2.388 5.111 886 HB3 PHE 716 1HB PHE 716 -2.091 2.678 5.033 887 HD1 PHE 716 2HD PHE 716 1.223 4.227 5.300 888 HD2 PHE 716 1HD PHE 716 -2.967 4.929 5.106 889 HE1 PHE 716 2HE PHE 716 1.638 6.620 4.855 890 HE2 PHE 716 1HE PHE 716 -2.553 7.311 4.669 891 HZ PHE 716 HZ PHE 716 -0.257 8.156 4.546 892 H ARG 717 H ARG 717 -3.542 2.536 7.665 893 HA ARG 717 HA ARG 717 -3.439 -0.169 8.728 894 HB2 ARG 717 2HB ARG 717 -4.381 1.905 9.886 895 HB3 ARG 717 1HB ARG 717 -5.664 1.861 8.703 896 HG2 ARG 717 2HG ARG 717 -6.456 0.898 10.714 897 HG3 ARG 717 1HG ARG 717 -6.254 -0.402 9.540 898 HD2 ARG 717 2HD ARG 717 -4.220 -1.111 10.567 899 HD3 ARG 717 1HD ARG 717 -4.180 0.317 11.606 900 HE ARG 717 HE ARG 717 -6.566 -1.151 11.965 901 HH12 ARG 717 1HH ARG 717 -3.365 -2.069 14.280 902 HH21 ARG 717 2HH ARG 717 -5.605 -2.618 14.986 903 H TRP 718 H TRP 718 -3.838 -1.659 7.144 904 HA TRP 718 HA TRP 718 -5.856 -1.022 5.085 905 HB2 TRP 718 2HB TRP 718 -3.441 -1.072 4.342 906 HB3 TRP 718 1HB TRP 718 -3.397 -2.760 4.801 907 HD1 TRP 718 HD TRP 718 -5.880 -3.954 3.381 908 HE1 TRP 718 1HE TRP 718 -6.069 -3.955 0.785 909 HE3 TRP 718 3HE TRP 718 -2.583 -0.170 2.265 910 HZ2 TRP 718 2HZ TRP 718 -4.992 -2.581 -1.373 911 HZ3 TRP 718 3HZ TRP 718 -2.236 0.402 -0.082 912 HH2 TRP 718 HH TRP 718 -3.411 -0.777 -1.863 913 H TYR 719 H TYR 719 -7.600 -2.319 5.432 914 HA TYR 719 HA TYR 719 -7.124 -4.943 6.629 915 HB2 TYR 719 2HB TYR 719 -9.740 -3.465 6.252 916 HB3 TYR 719 1HB TYR 719 -9.555 -5.023 7.040 917 HD1 TYR 719 2HD TYR 719 -7.652 -4.940 8.974 918 HD2 TYR 719 1HD TYR 719 -9.994 -1.673 7.633 919 HE1 TYR 719 2HE TYR 719 -7.294 -3.804 11.126 920 HE2 TYR 719 1HE TYR 719 -9.640 -0.529 9.773 921 HH TYR 719 HH TYR 719 -9.099 -1.098 12.061 922 H THR 720 H THR 720 -6.781 -6.446 5.207 923 HA THR 720 HA THR 720 -8.526 -6.584 2.878 924 HB THR 720 HB THR 720 -6.520 -5.602 1.984 925 HG1 THR 720 1HG THR 720 -6.776 -6.862 0.404 926 HG21 THR 720 2HG THR 720 -4.953 -6.205 3.739 927 H SER 721 H SER 721 -9.117 -8.587 2.243 928 HA SER 721 HA SER 721 -9.004 -10.733 4.008 929 HB2 SER 721 2HB SER 721 -10.763 -10.499 2.387 930 HB3 SER 721 1HB SER 721 -9.662 -10.615 1.032 931 HG SER 721 HG SER 721 -9.363 -12.755 1.477 932 H TYR 722 H TYR 722 -6.840 -9.705 1.517 933 HA TYR 722 HA TYR 722 -5.458 -12.158 1.191 934 HB2 TYR 722 2HB TYR 722 -4.679 -9.336 0.464 935 HB3 TYR 722 1HB TYR 722 -3.740 -10.759 0.035 936 HD1 TYR 722 2HD TYR 722 -4.600 -12.359 -1.611 937 HD2 TYR 722 1HD TYR 722 -6.730 -8.799 -0.704 938 HE1 TYR 722 2HE TYR 722 -5.931 -12.641 -3.663 939 HE2 TYR 722 1HE TYR 722 -8.072 -9.070 -2.746 940 HH TYR 722 HH TYR 722 -8.136 -11.941 -4.505 941 H ALA 723 H ALA 723 -5.451 -9.928 3.730 942 HA ALA 723 HA ALA 723 -2.724 -10.386 4.482 943 HB1 ALA 723 1HB ALA 723 -4.946 -9.159 6.084 944 HB2 ALA 723 2HB ALA 723 -3.868 -8.292 5.000 945 HB3 ALA 723 3HB ALA 723 -3.221 -9.081 6.436 946 H CYS 724 H CYS 724 -5.284 -12.439 4.555 947 HA CYS 724 HA CYS 724 -4.426 -13.606 7.081 948 HB2 CYS 724 2HB CYS 724 -6.883 -14.065 5.417 949 HB3 CYS 724 1HB CYS 724 -6.356 -15.307 6.527 950 HA PRO 725 HA PRO 725 -2.490 -16.700 4.371 951 HB2 PRO 725 2HB PRO 725 -1.045 -17.752 6.592 952 HB3 PRO 725 1HB PRO 725 -0.430 -16.651 5.362 953 HG2 PRO 725 2HG PRO 725 -0.781 -16.009 8.049 954 HG3 PRO 725 1HG PRO 725 -0.632 -14.838 6.730 955 HD2 PRO 725 2HD PRO 725 -3.093 -15.846 8.098 956 HD3 PRO 725 1HD PRO 725 -2.691 -14.218 7.492 Start of MODEL 13 1 H1 GLU 578 1HT GLU 578 -0.229 -23.347 14.537 2 H2 GLU 578 2HT GLU 578 0.256 -24.195 15.927 3 H3 GLU 578 3HT GLU 578 1.315 -24.019 14.655 4 HA GLU 578 HA GLU 578 1.458 -21.709 14.955 5 HB2 GLU 578 2HB GLU 578 0.423 -20.626 16.897 6 HB3 GLU 578 1HB GLU 578 -0.798 -21.314 15.844 7 HG2 GLU 578 2HG GLU 578 -1.097 -23.181 17.344 8 HG3 GLU 578 1HG GLU 578 0.214 -22.595 18.370 9 H ALA 579 H ALA 579 2.635 -20.718 16.978 10 HA ALA 579 HA ALA 579 3.814 -22.607 18.783 11 HB1 ALA 579 1HB ALA 579 6.115 -22.231 17.955 12 HB2 ALA 579 2HB ALA 579 5.469 -21.318 16.597 13 HB3 ALA 579 3HB ALA 579 5.121 -23.040 16.743 14 H GLU 580 H GLU 580 5.912 -21.124 19.670 15 HA GLU 580 HA GLU 580 4.719 -18.719 20.652 16 HB2 GLU 580 2HB GLU 580 7.553 -19.785 20.846 17 HB3 GLU 580 1HB GLU 580 6.980 -18.348 21.665 18 HG2 GLU 580 2HG GLU 580 5.921 -21.128 22.105 19 HG3 GLU 580 1HG GLU 580 7.073 -20.288 23.145 20 H ALA 581 H ALA 581 4.324 -17.344 18.975 21 HA ALA 581 HA ALA 581 6.514 -16.890 17.123 22 HB1 ALA 581 1HB ALA 581 3.603 -16.237 16.806 23 HB2 ALA 581 2HB ALA 581 4.413 -17.658 16.150 24 HB3 ALA 581 3HB ALA 581 4.857 -16.047 15.582 25 H GLU 582 H GLU 582 7.740 -15.384 18.027 26 HA GLU 582 HA GLU 582 6.526 -12.736 18.137 27 HB2 GLU 582 2HB GLU 582 8.740 -13.725 19.964 28 HB3 GLU 582 1HB GLU 582 8.191 -12.065 19.856 29 HG2 GLU 582 2HG GLU 582 5.991 -12.751 20.648 30 HG3 GLU 582 1HG GLU 582 6.560 -14.413 20.781 31 H PHE 583 H PHE 583 7.097 -12.565 15.984 32 HA PHE 583 HA PHE 583 9.957 -12.688 15.439 33 HB2 PHE 583 2HB PHE 583 7.704 -12.257 13.460 34 HB3 PHE 583 1HB PHE 583 9.380 -12.599 13.082 35 HD1 PHE 583 2HD PHE 583 10.241 -14.790 14.560 36 HD2 PHE 583 1HD PHE 583 6.308 -14.111 13.068 37 HE1 PHE 583 2HE PHE 583 9.793 -17.206 14.634 38 HE2 PHE 583 1HE PHE 583 5.861 -16.516 13.150 39 HZ PHE 583 HZ PHE 583 7.600 -18.071 13.928 40 H LEU 584 H LEU 584 11.079 -10.982 15.595 41 HA LEU 584 HA LEU 584 9.700 -8.460 15.957 42 HB2 LEU 584 2HB LEU 584 11.641 -7.650 17.113 43 HB3 LEU 584 1HB LEU 584 11.114 -9.168 17.787 44 HG LEU 584 HG LEU 584 13.544 -8.772 16.013 45 HD13 LEU 584 1HD LEU 584 13.816 -7.753 18.197 46 HD21 LEU 584 2HD LEU 584 14.156 -11.066 16.728 47 H SER 585 H SER 585 11.106 -9.862 13.367 48 HA SER 585 HA SER 585 11.845 -7.232 12.338 49 HB2 SER 585 2HB SER 585 13.892 -8.606 12.821 50 HB3 SER 585 1HB SER 585 13.284 -9.829 11.713 51 HG SER 585 HG SER 585 13.897 -7.140 11.074 52 H ARG 586 H ARG 586 11.679 -7.167 9.928 53 HA ARG 586 HA ARG 586 9.321 -8.693 9.104 54 HB2 ARG 586 2HB ARG 586 10.642 -6.293 7.807 55 HB3 ARG 586 1HB ARG 586 9.298 -7.175 7.128 56 HG2 ARG 586 2HG ARG 586 8.416 -5.198 8.096 57 HG3 ARG 586 1HG ARG 586 7.980 -6.546 9.141 58 HD2 ARG 586 2HD ARG 586 9.842 -5.937 10.649 59 HD3 ARG 586 1HD ARG 586 10.227 -4.582 9.592 60 HE ARG 586 HE ARG 586 7.528 -4.443 10.336 61 HH12 ARG 586 1HH ARG 586 10.256 -2.845 12.908 62 HH21 ARG 586 2HH ARG 586 7.950 -2.271 13.085 63 H THR 587 H THR 587 9.269 -9.854 7.264 64 HA THR 587 HA THR 587 11.867 -10.518 6.089 65 HB THR 587 HB THR 587 9.251 -12.044 5.982 66 HG1 THR 587 1HG THR 587 9.736 -12.773 7.814 67 HG21 THR 587 2HG THR 587 12.077 -12.762 5.192 68 H GLU 588 H GLU 588 12.143 -10.048 3.897 69 HA GLU 588 HA GLU 588 9.789 -8.927 2.587 70 HB2 GLU 588 2HB GLU 588 11.359 -7.755 1.037 71 HB3 GLU 588 1HB GLU 588 11.490 -7.238 2.706 72 HG2 GLU 588 2HG GLU 588 13.533 -8.413 2.993 73 HG3 GLU 588 1HG GLU 588 13.346 -9.241 1.448 74 H GLY 589 H GLY 589 8.933 -9.897 0.950 75 HA2 GLY 589 2HA GLY 589 10.232 -12.265 -0.125 76 HA3 GLY 589 1HA GLY 589 8.620 -11.732 -0.556 77 H ASP 590 H ASP 590 9.507 -9.058 -1.000 78 HA ASP 590 HA ASP 590 10.337 -7.630 -2.531 79 HB2 ASP 590 2HB ASP 590 12.542 -8.700 -2.255 80 HB3 ASP 590 1HB ASP 590 12.123 -9.888 -3.482 81 H ASN 591 H ASN 591 9.531 -6.825 -4.266 82 HA ASN 591 HA ASN 591 8.258 -6.490 -6.014 83 HB2 ASN 591 2HB ASN 591 10.066 -7.430 -7.315 84 HB3 ASN 591 1HB ASN 591 9.478 -9.066 -7.050 85 HD21 ASN 591 2HD ASN 591 8.077 -8.749 -10.245 86 H CYS 592 H CYS 592 6.435 -6.576 -4.745 87 HA CYS 592 HA CYS 592 4.239 -6.935 -4.476 88 HB2 CYS 592 2HB CYS 592 4.512 -8.470 -7.045 89 HB3 CYS 592 1HB CYS 592 2.983 -7.979 -6.325 90 H THR 593 H THR 593 6.281 -9.310 -3.788 91 HA THR 593 HA THR 593 4.108 -11.014 -2.907 92 HB THR 593 HB THR 593 5.574 -13.014 -3.330 93 HG1 THR 593 1HG THR 593 7.059 -11.164 -4.914 94 HG21 THR 593 2HG THR 593 4.837 -11.419 -5.794 95 H VAL 594 H VAL 594 4.569 -12.204 -0.956 96 HA VAL 594 HA VAL 594 7.026 -11.514 0.331 97 HB VAL 594 HB VAL 594 5.686 -9.739 1.154 98 HG13 VAL 594 1HG VAL 594 3.501 -10.044 2.183 99 HG21 VAL 594 2HG VAL 594 5.522 -11.905 3.197 100 H PHE 595 H PHE 595 7.907 -13.244 1.047 101 HA PHE 595 HA PHE 595 6.194 -15.349 2.094 102 HB2 PHE 595 2HB PHE 595 7.991 -16.954 1.510 103 HB3 PHE 595 1HB PHE 595 7.406 -16.140 0.069 104 HD1 PHE 595 2HD PHE 595 10.217 -16.473 2.421 105 HD2 PHE 595 1HD PHE 595 8.857 -14.690 -1.194 106 HE1 PHE 595 2HE PHE 595 12.524 -15.852 1.868 107 HE2 PHE 595 1HE PHE 595 11.174 -14.060 -1.752 108 HZ PHE 595 HZ PHE 595 13.007 -14.643 -0.221 109 H ASP 596 H ASP 596 6.852 -16.180 4.047 110 HA ASP 596 HA ASP 596 8.977 -14.623 5.351 111 HB2 ASP 596 2HB ASP 596 6.644 -14.145 6.225 112 HB3 ASP 596 1HB ASP 596 6.598 -15.822 6.750 113 H SER 597 H SER 597 10.640 -15.802 5.893 114 HA SER 597 HA SER 597 10.678 -18.572 5.464 115 HB2 SER 597 2HB SER 597 12.701 -16.817 6.835 116 HB3 SER 597 1HB SER 597 12.990 -18.429 6.171 117 HG SER 597 HG SER 597 13.373 -16.310 4.880 118 H GLN 598 H GLN 598 10.567 -16.671 8.500 119 HA GLN 598 HA GLN 598 10.789 -19.141 9.915 120 HB2 GLN 598 2HB GLN 598 10.569 -17.797 12.040 121 HB3 GLN 598 1HB GLN 598 12.029 -17.570 11.096 122 HG2 GLN 598 2HG GLN 598 9.672 -15.678 11.111 123 HG3 GLN 598 1HG GLN 598 11.045 -15.528 12.195 124 HE21 GLN 598 2HE GLN 598 11.215 -14.171 8.411 125 H ALA 599 H ALA 599 8.182 -16.943 9.309 126 HA ALA 599 HA ALA 599 6.392 -18.435 11.021 127 HB1 ALA 599 1HB ALA 599 6.079 -16.034 10.675 128 HB2 ALA 599 2HB ALA 599 4.661 -16.931 10.140 129 HB3 ALA 599 3HB ALA 599 5.809 -16.309 8.955 130 H GLY 600 H GLY 600 7.487 -18.667 7.773 131 HA2 GLY 600 2HA GLY 600 7.086 -20.288 6.176 132 HA3 GLY 600 1HA GLY 600 6.149 -21.156 7.393 133 H PHE 601 H PHE 601 5.872 -18.129 5.602 134 HA PHE 601 HA PHE 601 3.151 -18.901 4.822 135 HB2 PHE 601 2HB PHE 601 3.095 -17.476 6.884 136 HB3 PHE 601 1HB PHE 601 3.929 -16.219 5.995 137 HD1 PHE 601 1HD PHE 601 0.789 -18.047 6.398 138 HD2 PHE 601 2HD PHE 601 2.735 -14.822 4.442 139 HE1 PHE 601 1HE PHE 601 -1.388 -17.156 5.726 140 HE2 PHE 601 2HE PHE 601 0.550 -13.919 3.769 141 HZ PHE 601 HZ PHE 601 -1.512 -15.088 4.410 142 H SER 602 H SER 602 2.579 -18.067 2.756 143 HA SER 602 HA SER 602 4.513 -16.295 1.482 144 HB2 SER 602 2HB SER 602 4.401 -17.714 -0.584 145 HB3 SER 602 1HB SER 602 5.194 -18.505 0.780 146 HG SER 602 HG SER 602 3.412 -19.747 1.110 147 H PHE 603 H PHE 603 3.515 -14.616 0.529 148 HA PHE 603 HA PHE 603 0.826 -15.059 -0.465 149 HB2 PHE 603 2HB PHE 603 1.317 -13.713 1.917 150 HB3 PHE 603 1HB PHE 603 1.143 -12.481 0.729 151 HD1 PHE 603 1HD PHE 603 -0.747 -15.288 2.168 152 HD2 PHE 603 2HD PHE 603 -0.839 -11.989 -0.502 153 HE1 PHE 603 1HE PHE 603 -3.181 -15.535 1.957 154 HE2 PHE 603 2HE PHE 603 -3.253 -12.226 -0.731 155 HZ PHE 603 HZ PHE 603 -4.448 -14.006 0.497 156 H ASP 604 H ASP 604 0.159 -13.611 -1.939 157 HA ASP 604 HA ASP 604 2.179 -11.811 -3.033 158 HB2 ASP 604 2HB ASP 604 1.568 -12.321 -5.359 159 HB3 ASP 604 1HB ASP 604 2.117 -13.778 -4.552 160 H LEU 605 H LEU 605 1.535 -9.849 -3.161 161 HA LEU 605 HA LEU 605 -1.338 -9.373 -2.866 162 HB2 LEU 605 2HB LEU 605 1.009 -7.715 -1.965 163 HB3 LEU 605 1HB LEU 605 -0.636 -7.127 -1.966 164 HG LEU 605 HG LEU 605 0.046 -7.738 0.197 165 HD13 LEU 605 1HD LEU 605 -2.292 -8.071 -0.277 166 HD21 LEU 605 2HD LEU 605 0.451 -10.142 0.858 167 H THR 606 H THR 606 0.668 -9.625 -5.090 168 HA THR 606 HA THR 606 0.879 -7.539 -6.764 169 HB THR 606 HB THR 606 -0.076 -10.273 -7.642 170 HG1 THR 606 1HG THR 606 1.838 -11.033 -7.130 171 HG21 THR 606 2HG THR 606 1.793 -8.256 -8.834 172 HA PRO 607 HA PRO 607 -3.783 -8.211 -8.400 173 HB2 PRO 607 2HB PRO 607 -5.484 -9.194 -6.449 174 HB3 PRO 607 1HB PRO 607 -4.804 -10.156 -7.764 175 HG2 PRO 607 2HG PRO 607 -3.873 -9.891 -4.932 176 HG3 PRO 607 1HG PRO 607 -3.996 -11.344 -5.937 177 HD2 PRO 607 2HD PRO 607 -1.648 -10.180 -5.534 178 HD3 PRO 607 1HD PRO 607 -2.068 -10.831 -7.131 179 H LEU 608 H LEU 608 -2.695 -7.040 -5.290 180 HA LEU 608 HA LEU 608 -4.962 -5.286 -5.017 181 HB2 LEU 608 2HB LEU 608 -2.540 -5.775 -3.312 182 HB3 LEU 608 1HB LEU 608 -3.677 -4.490 -2.994 183 HG LEU 608 HG LEU 608 -5.437 -6.284 -2.682 184 HD13 LEU 608 1HD LEU 608 -4.375 -8.088 -3.887 185 HD21 LEU 608 2HD LEU 608 -3.054 -6.280 -0.852 186 H THR 609 H THR 609 -2.012 -5.293 -6.630 187 HA THR 609 HA THR 609 -1.328 -2.551 -6.241 188 HB THR 609 HB THR 609 -0.473 -4.518 -8.392 189 HG1 THR 609 1HG THR 609 1.236 -4.956 -7.018 190 HG21 THR 609 2HG THR 609 1.471 -3.035 -8.674 191 H LYS 610 H LYS 610 -2.031 -0.810 -7.405 192 HA LYS 610 HA LYS 610 -3.863 -1.330 -9.674 193 HB2 LYS 610 2HB LYS 610 -3.789 1.050 -7.836 194 HB3 LYS 610 1HB LYS 610 -4.889 0.801 -9.170 195 HG2 LYS 610 2HG LYS 610 -5.913 -1.065 -7.919 196 HG3 LYS 610 1HG LYS 610 -4.779 -0.757 -6.604 197 HD2 LYS 610 2HD LYS 610 -6.823 0.371 -6.047 198 HD3 LYS 610 1HD LYS 610 -5.624 1.581 -6.470 199 HE2 LYS 610 2HE LYS 610 -6.650 1.538 -8.819 200 HE3 LYS 610 1HE LYS 610 -7.901 0.551 -8.045 201 HZ1 LYS 610 3HZ LYS 610 -7.224 3.323 -7.221 202 HZ2 LYS 610 1HZ LYS 610 -8.466 2.354 -6.594 203 HZ3 LYS 610 2HZ LYS 610 -8.521 2.891 -8.192 204 H LYS 611 H LYS 611 -3.491 -0.060 -11.506 205 HA LYS 611 HA LYS 611 -1.007 1.367 -11.609 206 HB2 LYS 611 2HB LYS 611 -1.638 1.953 -13.924 207 HB3 LYS 611 1HB LYS 611 -1.797 0.232 -13.621 208 HG2 LYS 611 2HG LYS 611 -4.204 0.475 -13.404 209 HG3 LYS 611 1HG LYS 611 -4.054 2.218 -13.645 210 HD2 LYS 611 2HD LYS 611 -3.117 1.826 -15.869 211 HD3 LYS 611 1HD LYS 611 -3.271 0.086 -15.621 212 HE2 LYS 611 2HE LYS 611 -5.665 0.290 -15.436 213 HE3 LYS 611 1HE LYS 611 -5.556 2.040 -15.567 214 HZ1 LYS 611 3HZ LYS 611 -4.678 1.766 -17.818 215 HZ2 LYS 611 1HZ LYS 611 -6.173 1.016 -17.674 216 HZ3 LYS 611 2HZ LYS 611 -4.769 0.105 -17.673 217 H ASP 612 H ASP 612 -4.211 2.075 -10.796 218 HA ASP 612 HA ASP 612 -4.070 4.970 -11.110 219 HB2 ASP 612 2HB ASP 612 -6.180 3.843 -11.519 220 HB3 ASP 612 1HB ASP 612 -6.151 3.142 -9.909 221 H ALA 613 H ALA 613 -3.450 2.635 -8.687 222 HA ALA 613 HA ALA 613 -2.744 2.649 -6.566 223 HB1 ALA 613 1HB ALA 613 -1.224 4.480 -7.244 224 HB2 ALA 613 2HB ALA 613 -1.733 4.632 -5.562 225 HB3 ALA 613 3HB ALA 613 -2.458 5.657 -6.803 226 H TYR 614 H TYR 614 -3.225 3.657 -4.327 227 HA TYR 614 HA TYR 614 -6.137 3.856 -4.112 228 HB2 TYR 614 2HB TYR 614 -4.035 2.987 -2.157 229 HB3 TYR 614 1HB TYR 614 -5.725 3.177 -1.719 230 HD1 TYR 614 2HD TYR 614 -3.314 1.266 -3.662 231 HD2 TYR 614 1HD TYR 614 -7.376 1.617 -2.514 232 HE1 TYR 614 2HE TYR 614 -3.733 -0.931 -4.550 233 HE2 TYR 614 1HE TYR 614 -7.832 -0.623 -3.430 234 HH TYR 614 HH TYR 614 -5.298 -2.700 -4.374 235 H LYS 615 H LYS 615 -7.099 5.280 -2.728 236 HA LYS 615 HA LYS 615 -5.457 7.578 -2.096 237 HB2 LYS 615 2HB LYS 615 -7.488 8.963 -2.319 238 HB3 LYS 615 1HB LYS 615 -7.016 8.154 -3.788 239 HG2 LYS 615 2HG LYS 615 -9.323 7.997 -3.771 240 HG3 LYS 615 1HG LYS 615 -8.796 6.412 -3.219 241 HD2 LYS 615 2HD LYS 615 -10.700 7.174 -1.916 242 HD3 LYS 615 1HD LYS 615 -9.260 7.063 -0.904 243 HE2 LYS 615 2HE LYS 615 -8.944 9.432 -1.011 244 HE3 LYS 615 1HE LYS 615 -10.251 9.626 -2.160 245 HZ1 LYS 615 3HZ LYS 615 -11.777 8.773 -0.428 246 HZ2 LYS 615 1HZ LYS 615 -11.040 10.179 0.074 247 HZ3 LYS 615 2HZ LYS 615 -10.518 8.682 0.665 248 H VAL 616 H VAL 616 -5.374 8.357 -0.128 249 HA VAL 616 HA VAL 616 -7.171 7.338 1.943 250 HB VAL 616 HB VAL 616 -4.181 7.781 2.095 251 HG13 VAL 616 1HG VAL 616 -4.307 6.903 4.382 252 HG21 VAL 616 2HG VAL 616 -4.674 5.705 0.961 253 H GLU 617 H GLU 617 -8.161 9.151 2.822 254 HA GLU 617 HA GLU 617 -6.616 11.628 2.607 255 HB2 GLU 617 2HB GLU 617 -8.628 12.895 2.218 256 HB3 GLU 617 1HB GLU 617 -8.445 11.653 0.989 257 HG2 GLU 617 2HG GLU 617 -10.127 10.307 2.014 258 HG3 GLU 617 1HG GLU 617 -10.229 11.398 3.399 259 H THR 618 H THR 618 -6.854 13.157 4.130 260 HA THR 618 HA THR 618 -8.483 12.637 6.473 261 HB THR 618 HB THR 618 -6.623 13.563 7.865 262 HG1 THR 618 1HG THR 618 -5.225 13.342 5.416 263 HG21 THR 618 2HG THR 618 -5.877 11.039 6.384 264 H ASP 619 H ASP 619 -8.218 14.963 7.754 265 HA ASP 619 HA ASP 619 -9.160 16.905 5.859 266 HB2 ASP 619 2HB ASP 619 -8.494 17.255 8.788 267 HB3 ASP 619 1HB ASP 619 -9.289 18.461 7.786 268 H LYS 620 H LYS 620 -6.187 16.158 7.371 269 HA LYS 620 HA LYS 620 -4.936 18.663 6.675 270 HB2 LYS 620 2HB LYS 620 -3.806 16.119 7.806 271 HB3 LYS 620 1HB LYS 620 -2.859 17.568 7.520 272 HG2 LYS 620 2HG LYS 620 -4.236 18.792 9.102 273 HG3 LYS 620 1HG LYS 620 -5.215 17.356 9.390 274 HD2 LYS 620 2HD LYS 620 -2.246 17.574 9.933 275 HD3 LYS 620 1HD LYS 620 -3.507 17.738 11.156 276 HE2 LYS 620 2HE LYS 620 -4.240 15.451 10.674 277 HE3 LYS 620 1HE LYS 620 -2.956 15.282 9.479 278 HZ1 LYS 620 3HZ LYS 620 -2.427 14.300 11.656 279 HZ2 LYS 620 1HZ LYS 620 -2.552 15.818 12.357 280 HZ3 LYS 620 2HZ LYS 620 -1.330 15.514 11.232 281 H TYR 621 H TYR 621 -4.346 15.251 5.712 282 HA TYR 621 HA TYR 621 -3.133 16.319 3.227 283 HB2 TYR 621 2HB TYR 621 -2.149 13.874 4.697 284 HB3 TYR 621 1HB TYR 621 -1.400 14.686 3.334 285 HD1 TYR 621 2HD TYR 621 -0.321 16.948 3.729 286 HD2 TYR 621 1HD TYR 621 -1.700 14.472 6.895 287 HE1 TYR 621 2HE TYR 621 1.059 18.220 5.314 288 HE2 TYR 621 1HE TYR 621 -0.352 15.691 8.486 289 HH TYR 621 HH TYR 621 1.111 18.695 7.672 290 H GLU 622 H GLU 622 -3.070 14.721 1.522 291 HA GLU 622 HA GLU 622 -4.827 12.444 1.934 292 HB2 GLU 622 2HB GLU 622 -5.454 12.535 -0.446 293 HB3 GLU 622 1HB GLU 622 -5.931 14.010 0.374 294 HG2 GLU 622 2HG GLU 622 -4.072 15.189 -0.595 295 HG3 GLU 622 1HG GLU 622 -3.469 13.699 -1.326 296 H PHE 623 H PHE 623 -3.924 10.584 1.470 297 HA PHE 623 HA PHE 623 -1.127 10.641 0.574 298 HB2 PHE 623 2HB PHE 623 -2.508 8.561 2.303 299 HB3 PHE 623 1HB PHE 623 -0.805 8.672 1.930 300 HD1 PHE 623 2HD PHE 623 -3.555 10.091 3.907 301 HD2 PHE 623 1HD PHE 623 0.610 10.190 3.101 302 HE1 PHE 623 2HE PHE 623 -3.203 11.389 5.963 303 HE2 PHE 623 1HE PHE 623 0.981 11.497 5.164 304 HZ PHE 623 HZ PHE 623 -0.930 12.095 6.593 305 H HIS 624 H HIS 624 -0.651 9.368 -1.149 306 HA HIS 624 HA HIS 624 -2.755 7.524 -1.965 307 HB2 HIS 624 2HB HIS 624 -0.951 9.143 -3.785 308 HB3 HIS 624 1HB HIS 624 -1.994 7.839 -4.344 309 HD1 HIS 624 1HD HIS 624 -4.482 8.356 -4.623 310 HD2 HIS 624 2HD HIS 624 -2.347 11.503 -2.947 311 HE1 HIS 624 1HE HIS 624 -6.091 10.283 -4.496 312 HE2 HIS 624 2HE HIS 624 -4.812 12.149 -3.422 313 H ILE 625 H ILE 625 -2.246 5.513 -2.214 314 HA ILE 625 HA ILE 625 0.591 4.770 -1.823 315 HB ILE 625 HB ILE 625 -1.789 3.444 -0.492 316 HG12 ILE 625 1HG ILE 625 0.202 5.399 0.697 317 HG23 ILE 625 2HG ILE 625 0.129 1.968 -0.831 318 HD11 ILE 625 1HD ILE 625 -1.078 5.265 2.709 319 H ASN 626 H ASN 626 1.150 2.749 -2.773 320 HA ASN 626 HA ASN 626 -0.924 1.285 -4.148 321 HB2 ASN 626 2HB ASN 626 0.128 2.998 -5.739 322 HB3 ASN 626 1HB ASN 626 1.644 2.118 -5.515 323 HD21 ASN 626 2HD ASN 626 0.586 0.644 -8.482 324 H VAL 627 H VAL 627 -0.165 -0.917 -4.551 325 HA VAL 627 HA VAL 627 1.372 -1.789 -2.303 326 HB VAL 627 HB VAL 627 0.220 -3.411 -4.591 327 HG13 VAL 627 1HG VAL 627 0.448 -5.357 -3.121 328 HG21 VAL 627 2HG VAL 627 -1.555 -3.942 -3.011 329 H CYS 628 H CYS 628 2.069 -1.309 -5.567 330 HA CYS 628 HA CYS 628 4.868 -1.979 -5.102 331 HB2 CYS 628 2HB CYS 628 3.285 -3.087 -7.429 332 HB3 CYS 628 1HB CYS 628 5.016 -3.213 -7.231 333 H GLY 629 H GLY 629 6.165 -0.613 -6.176 334 HA2 GLY 629 2HA GLY 629 6.916 0.675 -7.980 335 HA3 GLY 629 1HA GLY 629 5.331 0.452 -8.711 336 HA PRO 630 HA PRO 630 5.207 4.726 -7.271 337 HB2 PRO 630 2HB PRO 630 4.240 5.706 -9.639 338 HB3 PRO 630 1HB PRO 630 5.943 5.572 -9.233 339 HG2 PRO 630 2HG PRO 630 4.508 4.119 -11.233 340 HG3 PRO 630 1HG PRO 630 6.212 3.950 -10.790 341 HD2 PRO 630 2HD PRO 630 3.883 2.300 -10.001 342 HD3 PRO 630 1HD PRO 630 5.615 1.886 -10.072 343 H VAL 631 H VAL 631 3.533 6.256 -7.116 344 HA VAL 631 HA VAL 631 0.841 5.106 -7.315 345 HB VAL 631 HB VAL 631 0.139 6.843 -5.666 346 HG13 VAL 631 1HG VAL 631 0.708 4.659 -4.882 347 HG21 VAL 631 2HG VAL 631 1.833 8.096 -4.403 348 H SER 632 H SER 632 -0.652 6.102 -8.581 349 HA SER 632 HA SER 632 0.351 8.325 -10.134 350 HB2 SER 632 2HB SER 632 -2.292 6.873 -10.247 351 HB3 SER 632 1HB SER 632 -1.787 8.136 -11.372 352 HG SER 632 HG SER 632 0.184 6.471 -11.243 353 H VAL 633 H VAL 633 0.041 10.342 -9.675 354 HA VAL 633 HA VAL 633 -2.304 11.368 -8.326 355 HB VAL 633 HB VAL 633 0.435 12.042 -7.259 356 HG13 VAL 633 1HG VAL 633 -2.276 12.593 -6.104 357 HG21 VAL 633 2HG VAL 633 0.014 10.739 -5.219 358 H GLY 634 H GLY 634 -2.540 13.556 -8.971 359 HA2 GLY 634 2HA GLY 634 -0.977 14.340 -11.223 360 HA3 GLY 634 1HA GLY 634 -2.236 15.297 -10.449 361 H ALA 635 H ALA 635 -1.086 15.261 -7.857 362 HA ALA 635 HA ALA 635 0.852 17.383 -8.219 363 HB1 ALA 635 1HB ALA 635 0.493 17.861 -5.870 364 HB2 ALA 635 2HB ALA 635 -0.441 16.377 -5.694 365 HB3 ALA 635 3HB ALA 635 -1.048 17.685 -6.709 366 H CYS 636 H CYS 636 1.317 14.170 -8.113 367 HA CYS 636 HA CYS 636 3.839 14.484 -6.651 368 HB2 CYS 636 2HB CYS 636 2.140 11.957 -6.599 369 HB3 CYS 636 1HB CYS 636 3.683 12.192 -5.844 370 HA PRO 637 HA PRO 637 5.534 12.805 -10.337 371 HB2 PRO 637 2HB PRO 637 7.887 11.822 -9.496 372 HB3 PRO 637 1HB PRO 637 7.569 13.558 -9.496 373 HG2 PRO 637 2HG PRO 637 7.511 11.627 -7.219 374 HG3 PRO 637 1HG PRO 637 8.125 13.291 -7.271 375 HD2 PRO 637 2HD PRO 637 5.679 12.554 -6.263 376 HD3 PRO 637 1HD PRO 637 6.080 14.177 -6.854 377 HA PRO 638 HA PRO 638 4.506 8.425 -10.329 378 HB2 PRO 638 2HB PRO 638 5.439 7.791 -12.795 379 HB3 PRO 638 1HB PRO 638 3.966 8.746 -12.565 380 HG2 PRO 638 2HG PRO 638 6.734 9.653 -13.222 381 HG3 PRO 638 1HG PRO 638 5.193 10.194 -13.907 382 HD2 PRO 638 2HD PRO 638 6.542 11.583 -12.004 383 HD3 PRO 638 1HD PRO 638 4.774 11.614 -12.150 384 H ASP 639 H ASP 639 7.085 9.454 -9.324 385 HA ASP 639 HA ASP 639 8.813 7.102 -9.708 386 HB2 ASP 639 2HB ASP 639 9.880 9.106 -10.596 387 HB3 ASP 639 1HB ASP 639 9.562 9.980 -9.106 388 H SER 640 H SER 640 6.865 8.873 -7.596 389 HA SER 640 HA SER 640 8.120 7.745 -5.230 390 HB2 SER 640 2HB SER 640 6.402 9.093 -4.004 391 HB3 SER 640 1HB SER 640 7.493 10.073 -4.989 392 HG SER 640 HG SER 640 5.312 9.355 -6.427 393 H GLY 641 H GLY 641 7.174 6.135 -4.038 394 HA2 GLY 641 2HA GLY 641 4.905 4.899 -5.379 395 HA3 GLY 641 1HA GLY 641 6.074 4.013 -4.416 396 H ALA 642 H ALA 642 5.543 6.746 -2.859 397 HA ALA 642 HA ALA 642 2.857 6.434 -1.851 398 HB1 ALA 642 1HB ALA 642 3.597 6.415 0.524 399 HB2 ALA 642 2HB ALA 642 5.271 6.271 -0.017 400 HB3 ALA 642 3HB ALA 642 4.125 4.969 -0.335 401 H CYS 643 H CYS 643 2.040 8.485 -1.694 402 HA CYS 643 HA CYS 643 3.867 10.674 -1.069 403 HB2 CYS 643 2HB CYS 643 4.018 10.483 -3.513 404 HB3 CYS 643 1HB CYS 643 2.277 10.644 -3.639 405 H GLN 644 H GLN 644 3.009 12.374 -0.057 406 HA GLN 644 HA GLN 644 0.120 12.313 0.428 407 HB2 GLN 644 2HB GLN 644 0.561 13.496 2.534 408 HB3 GLN 644 1HB GLN 644 1.428 11.984 2.498 409 HG2 GLN 644 2HG GLN 644 3.508 13.127 2.024 410 HG3 GLN 644 1HG GLN 644 2.643 14.638 1.820 411 HE21 GLN 644 2HE GLN 644 4.290 14.356 5.210 412 H VAL 645 H VAL 645 -1.007 14.033 -0.060 413 HA VAL 645 HA VAL 645 0.427 16.466 -0.863 414 HB VAL 645 HB VAL 645 -2.330 15.595 -1.798 415 HG13 VAL 645 1HG VAL 645 -0.548 17.832 -2.733 416 HG21 VAL 645 2HG VAL 645 -1.314 15.118 -3.988 417 H SER 646 H SER 646 0.062 18.079 0.480 418 HA SER 646 HA SER 646 -1.802 17.833 2.621 419 HB2 SER 646 2HB SER 646 0.304 19.104 2.885 420 HB3 SER 646 1HB SER 646 -0.236 20.240 1.655 421 HG SER 646 HG SER 646 -0.860 20.126 4.305 422 H ARG 647 H ARG 647 -3.732 18.766 2.810 423 HA ARG 647 HA ARG 647 -4.897 19.694 0.289 424 HB2 ARG 647 2HB ARG 647 -6.326 18.969 2.862 425 HB3 ARG 647 1HB ARG 647 -7.042 19.119 1.257 426 HG2 ARG 647 2HG ARG 647 -5.731 17.187 0.501 427 HG3 ARG 647 1HG ARG 647 -5.033 17.038 2.106 428 HD2 ARG 647 2HD ARG 647 -6.732 15.433 2.046 429 HD3 ARG 647 1HD ARG 647 -7.436 16.778 2.930 430 HE ARG 647 HE ARG 647 -8.054 17.038 0.212 431 HH12 ARG 647 1HH ARG 647 -10.367 14.478 2.330 432 HH21 ARG 647 2HH ARG 647 -11.003 15.136 0.158 433 H SER 648 H SER 648 -4.162 20.596 3.571 434 HA SER 648 HA SER 648 -5.500 23.100 3.457 435 HB2 SER 648 2HB SER 648 -4.310 23.321 5.693 436 HB3 SER 648 1HB SER 648 -5.478 21.999 5.545 437 HG SER 648 HG SER 648 -3.260 21.549 6.452 438 H ASP 649 H ASP 649 -2.151 21.929 3.136 439 HA ASP 649 HA ASP 649 -1.273 24.704 2.634 440 HB2 ASP 649 2HB ASP 649 0.370 22.234 3.232 441 HB3 ASP 649 1HB ASP 649 1.054 23.803 2.841 442 H ARG 650 H ARG 650 -2.192 22.004 0.982 443 HA ARG 650 HA ARG 650 -1.982 21.159 -1.066 444 HB2 ARG 650 2HB ARG 650 -1.654 24.081 -1.637 445 HB3 ARG 650 1HB ARG 650 -1.916 22.869 -2.890 446 HG2 ARG 650 2HG ARG 650 -4.028 22.235 -1.874 447 HG3 ARG 650 1HG ARG 650 -3.755 23.385 -0.569 448 HD2 ARG 650 2HD ARG 650 -3.783 25.188 -2.083 449 HD3 ARG 650 1HD ARG 650 -3.946 24.099 -3.471 450 HE ARG 650 HE ARG 650 -6.055 23.514 -1.827 451 HH12 ARG 650 1HH ARG 650 -6.501 27.088 -3.665 452 HH21 ARG 650 2HH ARG 650 -8.399 25.904 -2.887 453 H LYS 651 H LYS 651 0.593 21.357 0.395 454 HA LYS 651 HA LYS 651 2.473 21.286 -1.860 455 HB2 LYS 651 2HB LYS 651 2.937 20.947 1.106 456 HB3 LYS 651 1HB LYS 651 4.190 20.796 -0.110 457 HG2 LYS 651 2HG LYS 651 3.894 23.110 -0.720 458 HG3 LYS 651 1HG LYS 651 2.560 23.212 0.440 459 HD2 LYS 651 2HD LYS 651 4.100 22.702 2.276 460 HD3 LYS 651 1HD LYS 651 5.427 22.534 1.135 461 HE2 LYS 651 2HE LYS 651 5.233 24.896 0.548 462 HE3 LYS 651 1HE LYS 651 3.875 25.067 1.658 463 HZ1 LYS 651 3HZ LYS 651 5.964 25.829 2.667 464 HZ2 LYS 651 1HZ LYS 651 6.638 24.300 2.465 465 HZ3 LYS 651 2HZ LYS 651 5.327 24.513 3.488 466 H SER 652 H SER 652 3.810 19.406 -2.037 467 HA SER 652 HA SER 652 2.508 17.007 -1.001 468 HB2 SER 652 2HB SER 652 2.973 15.873 -3.212 469 HB3 SER 652 1HB SER 652 1.737 17.129 -3.254 470 HG SER 652 HG SER 652 3.244 17.183 -4.963 471 H TRP 653 H TRP 653 3.775 15.296 -0.481 472 HA TRP 653 HA TRP 653 6.706 15.591 -0.700 473 HB2 TRP 653 2HB TRP 653 5.209 14.951 1.843 474 HB3 TRP 653 1HB TRP 653 6.943 14.960 1.631 475 HD1 TRP 653 HD TRP 653 8.094 17.464 1.447 476 HE1 TRP 653 1HE TRP 653 7.341 19.691 2.475 477 HE3 TRP 653 3HE TRP 653 3.226 16.305 2.402 478 HZ2 TRP 653 2HZ TRP 653 4.940 20.819 3.562 479 HZ3 TRP 653 3HZ TRP 653 1.789 17.971 3.418 480 HH2 TRP 653 HH TRP 653 2.626 20.198 3.990 481 H ASN 654 H ASN 654 7.781 13.747 -0.693 482 HA ASN 654 HA ASN 654 6.238 11.421 -1.408 483 HB2 ASN 654 2HB ASN 654 9.210 11.953 -1.360 484 HB3 ASN 654 1HB ASN 654 8.453 10.481 -1.951 485 HD21 ASN 654 2HD ASN 654 8.819 12.027 -5.035 486 H LEU 655 H LEU 655 6.048 9.664 -0.189 487 HA LEU 655 HA LEU 655 7.127 9.709 2.521 488 HB2 LEU 655 2HB LEU 655 5.009 8.022 1.207 489 HB3 LEU 655 1HB LEU 655 5.566 7.782 2.849 490 HG LEU 655 HG LEU 655 4.717 10.141 3.343 491 HD13 LEU 655 1HD LEU 655 3.510 9.892 0.714 492 HD21 LEU 655 2HD LEU 655 2.649 8.201 2.362 493 H GLY 656 H GLY 656 7.531 8.235 -0.485 494 HA2 GLY 656 2HA GLY 656 9.957 7.170 0.195 495 HA3 GLY 656 1HA GLY 656 8.792 5.867 0.331 496 H ARG 657 H ARG 657 10.941 6.218 -1.520 497 HA ARG 657 HA ARG 657 9.732 6.908 -3.999 498 HB2 ARG 657 2HB ARG 657 11.897 6.254 -5.042 499 HB3 ARG 657 1HB ARG 657 12.089 7.382 -3.723 500 HG2 ARG 657 2HG ARG 657 13.869 5.842 -3.580 501 HG3 ARG 657 1HG ARG 657 12.749 5.438 -2.280 502 HD2 ARG 657 2HD ARG 657 11.844 3.622 -3.629 503 HD3 ARG 657 1HD ARG 657 12.924 4.061 -4.950 504 HE ARG 657 HE ARG 657 14.461 3.638 -2.704 505 HH12 ARG 657 1HH ARG 657 13.213 0.303 -4.618 506 HH21 ARG 657 2HH ARG 657 15.127 0.244 -3.174 507 H SER 658 H SER 658 9.334 5.485 -5.777 508 HA SER 658 HA SER 658 7.705 3.394 -5.240 509 HB2 SER 658 2HB SER 658 9.453 3.859 -7.567 510 HB3 SER 658 1HB SER 658 8.033 2.777 -7.596 511 HG SER 658 HG SER 658 6.867 4.668 -6.916 512 H ASN 659 H ASN 659 7.801 1.310 -4.885 513 HA ASN 659 HA ASN 659 10.150 -0.261 -5.085 514 HB2 ASN 659 2HB ASN 659 10.849 0.908 -3.166 515 HB3 ASN 659 1HB ASN 659 9.219 0.996 -2.531 516 HD21 ASN 659 2HD ASN 659 9.436 -1.824 -0.646 517 H ALA 660 H ALA 660 9.595 -2.455 -4.518 518 HA ALA 660 HA ALA 660 6.695 -2.911 -4.247 519 HB1 ALA 660 1HB ALA 660 8.573 -4.363 -6.111 520 HB2 ALA 660 2HB ALA 660 7.364 -3.173 -6.587 521 HB3 ALA 660 3HB ALA 660 6.855 -4.712 -5.888 522 H LYS 661 H LYS 661 9.321 -3.167 -2.548 523 HA LYS 661 HA LYS 661 9.364 -5.936 -1.894 524 HB2 LYS 661 2HB LYS 661 10.483 -3.540 -0.470 525 HB3 LYS 661 1HB LYS 661 10.689 -5.190 0.082 526 HG2 LYS 661 2HG LYS 661 11.880 -5.732 -1.965 527 HG3 LYS 661 1HG LYS 661 11.640 -4.078 -2.535 528 HD2 LYS 661 2HD LYS 661 12.879 -3.204 -0.713 529 HD3 LYS 661 1HD LYS 661 13.043 -4.806 0.018 530 HE2 LYS 661 2HE LYS 661 14.189 -3.925 -2.634 531 HE3 LYS 661 1HE LYS 661 15.094 -4.138 -1.134 532 HZ1 LYS 661 3HZ LYS 661 15.400 -6.040 -2.443 533 HZ2 LYS 661 1HZ LYS 661 13.751 -6.258 -2.736 534 HZ3 LYS 661 2HZ LYS 661 14.406 -6.495 -1.179 535 H LEU 662 H LEU 662 7.632 -6.832 -1.063 536 HA LEU 662 HA LEU 662 6.042 -5.442 0.891 537 HB2 LEU 662 2HB LEU 662 5.963 -8.280 -0.075 538 HB3 LEU 662 1HB LEU 662 4.754 -7.555 0.983 539 HG LEU 662 HG LEU 662 5.291 -7.063 -1.929 540 HD13 LEU 662 1HD LEU 662 2.872 -7.921 -0.430 541 HD21 LEU 662 2HD LEU 662 3.516 -5.404 -1.873 542 H SER 663 H SER 663 5.910 -6.042 3.043 543 HA SER 663 HA SER 663 8.213 -7.573 4.013 544 HB2 SER 663 2HB SER 663 6.799 -5.200 5.238 545 HB3 SER 663 1HB SER 663 8.189 -6.035 5.931 546 HG SER 663 HG SER 663 8.916 -5.457 3.534 547 H TYR 664 H TYR 664 7.767 -8.800 5.953 548 HA TYR 664 HA TYR 664 4.917 -9.080 6.644 549 HB2 TYR 664 2HB TYR 664 5.976 -10.977 5.202 550 HB3 TYR 664 1HB TYR 664 6.870 -11.350 6.662 551 HD1 TYR 664 2HD TYR 664 3.463 -11.109 5.219 552 HD2 TYR 664 1HD TYR 664 5.834 -12.624 8.453 553 HE1 TYR 664 2HE TYR 664 1.625 -12.473 5.923 554 HE2 TYR 664 1HE TYR 664 3.985 -14.019 9.142 555 HH TYR 664 HH TYR 664 1.219 -14.519 7.195 556 H TYR 665 H TYR 665 4.645 -8.808 8.772 557 HA TYR 665 HA TYR 665 7.002 -9.172 10.497 558 HB2 TYR 665 2HB TYR 665 6.429 -6.755 10.216 559 HB3 TYR 665 1HB TYR 665 4.832 -7.113 10.828 560 HD1 TYR 665 1HD TYR 665 8.409 -7.083 11.765 561 HD2 TYR 665 2HD TYR 665 4.398 -7.173 13.172 562 HE1 TYR 665 1HE TYR 665 9.209 -6.652 14.046 563 HE2 TYR 665 2HE TYR 665 5.186 -6.746 15.463 564 HH TYR 665 HH TYR 665 7.265 -7.026 16.794 565 H ASP 666 H ASP 666 6.629 -10.929 11.584 566 HA ASP 666 HA ASP 666 5.828 -12.225 13.223 567 HB2 ASP 666 2HB ASP 666 5.192 -10.102 14.344 568 HB3 ASP 666 1HB ASP 666 3.630 -10.182 13.543 569 H GLY 667 H GLY 667 2.914 -10.951 11.763 570 HA2 GLY 667 2HA GLY 667 2.464 -13.336 10.276 571 HA3 GLY 667 1HA GLY 667 1.389 -13.238 11.648 572 H MET 668 H MET 668 2.505 -10.347 10.109 573 HA MET 668 HA MET 668 -0.054 -10.047 8.702 574 HB2 MET 668 2HB MET 668 1.398 -7.955 10.330 575 HB3 MET 668 1HB MET 668 -0.050 -7.680 9.378 576 HG2 MET 668 2HG MET 668 -1.311 -9.163 10.838 577 HG3 MET 668 1HG MET 668 0.145 -9.499 11.771 578 HE1 MET 668 3HE MET 668 0.862 -5.982 13.391 579 HE2 MET 668 1HE MET 668 1.499 -6.554 11.849 580 HE3 MET 668 2HE MET 668 1.416 -7.647 13.230 581 H ILE 669 H ILE 669 0.145 -9.035 6.730 582 HA ILE 669 HA ILE 669 2.794 -8.745 5.655 583 HB ILE 669 HB ILE 669 0.069 -8.213 4.464 584 HG12 ILE 669 1HG ILE 669 0.765 -9.904 2.775 585 HG23 ILE 669 2HG ILE 669 1.123 -7.811 2.263 586 HD11 ILE 669 1HD ILE 669 0.325 -10.977 5.543 587 H GLN 670 H GLN 670 3.839 -6.830 5.230 588 HA GLN 670 HA GLN 670 2.352 -4.390 5.794 589 HB2 GLN 670 2HB GLN 670 5.253 -4.734 6.609 590 HB3 GLN 670 1HB GLN 670 4.201 -3.364 6.910 591 HG2 GLN 670 2HG GLN 670 2.807 -4.924 8.339 592 HG3 GLN 670 1HG GLN 670 4.149 -6.062 8.213 593 HE21 GLN 670 2HE GLN 670 4.356 -2.882 10.674 594 H LEU 671 H LEU 671 3.411 -2.524 4.791 595 HA LEU 671 HA LEU 671 4.931 -3.263 2.384 596 HB2 LEU 671 2HB LEU 671 2.615 -2.953 1.711 597 HB3 LEU 671 1HB LEU 671 2.552 -1.412 2.532 598 HG LEU 671 HG LEU 671 4.066 -0.441 0.858 599 HD13 LEU 671 1HD LEU 671 5.371 -2.425 0.244 600 HD21 LEU 671 2HD LEU 671 2.551 -0.579 -1.061 601 H THR 672 H THR 672 6.736 -2.266 2.374 602 HA THR 672 HA THR 672 7.096 0.016 4.159 603 HB THR 672 HB THR 672 9.140 -1.939 3.075 604 HG1 THR 672 1HG THR 672 8.406 -3.166 4.638 605 HG21 THR 672 2HG THR 672 10.092 0.247 3.613 606 H TYR 673 H TYR 673 7.273 1.927 3.177 607 HA TYR 673 HA TYR 673 8.795 2.082 0.682 608 HB2 TYR 673 2HB TYR 673 6.447 3.727 1.574 609 HB3 TYR 673 1HB TYR 673 7.585 4.319 0.374 610 HD1 TYR 673 1HD TYR 673 8.044 2.789 -1.609 611 HD2 TYR 673 2HD TYR 673 4.653 2.457 0.908 612 HE1 TYR 673 1HE TYR 673 6.885 1.644 -3.381 613 HE2 TYR 673 2HE TYR 673 3.456 1.296 -0.822 614 HH TYR 673 HH TYR 673 3.516 0.899 -3.235 615 H ARG 674 H ARG 674 10.645 2.986 0.920 616 HA ARG 674 HA ARG 674 10.896 4.999 3.029 617 HB2 ARG 674 2HB ARG 674 12.941 2.883 2.346 618 HB3 ARG 674 1HB ARG 674 13.195 4.222 3.454 619 HG2 ARG 674 2HG ARG 674 11.437 3.387 4.902 620 HG3 ARG 674 1HG ARG 674 11.135 2.057 3.786 621 HD2 ARG 674 2HD ARG 674 13.431 1.262 4.152 622 HD3 ARG 674 1HD ARG 674 13.689 2.573 5.305 623 HE ARG 674 HE ARG 674 11.417 1.182 6.068 624 HH12 ARG 674 1HH ARG 674 14.936 -0.491 7.155 625 HH21 ARG 674 2HH ARG 674 12.943 -1.187 8.164 626 H ASP 675 H ASP 675 13.003 6.204 2.783 627 HA ASP 675 HA ASP 675 14.202 7.764 1.788 628 HB2 ASP 675 2HB ASP 675 15.158 5.762 0.525 629 HB3 ASP 675 1HB ASP 675 14.062 6.173 -0.782 630 H GLY 676 H GLY 676 11.648 8.344 2.053 631 HA2 GLY 676 2HA GLY 676 10.642 9.553 -0.358 632 HA3 GLY 676 1HA GLY 676 9.995 9.730 1.269 633 H THR 677 H THR 677 9.775 11.987 0.811 634 HA THR 677 HA THR 677 12.063 13.607 0.306 635 HB THR 677 HB THR 677 9.275 14.302 1.270 636 HG1 THR 677 1HG THR 677 10.440 14.251 -1.304 637 HG21 THR 677 2HG THR 677 9.749 16.568 0.411 638 HA PRO 678 HA PRO 678 13.056 13.949 4.687 639 HB2 PRO 678 2HB PRO 678 15.183 15.625 4.430 640 HB3 PRO 678 1HB PRO 678 15.296 13.888 4.132 641 HG2 PRO 678 2HG PRO 678 15.250 16.129 2.215 642 HG3 PRO 678 1HG PRO 678 15.954 14.516 2.046 643 HD2 PRO 678 2HD PRO 678 13.509 15.423 0.948 644 HD3 PRO 678 1HD PRO 678 14.093 13.752 1.003 645 H TYR 679 H TYR 679 12.308 15.210 6.164 646 HA TYR 679 HA TYR 679 11.245 17.827 5.342 647 HB2 TYR 679 2HB TYR 679 10.424 16.173 7.757 648 HB3 TYR 679 1HB TYR 679 9.636 17.602 7.100 649 HD1 TYR 679 1HD TYR 679 9.957 16.595 4.150 650 HD2 TYR 679 2HD TYR 679 8.384 14.865 7.691 651 HE1 TYR 679 1HE TYR 679 8.494 15.203 2.799 652 HE2 TYR 679 2HE TYR 679 6.907 13.442 6.339 653 HH TYR 679 HH TYR 679 7.315 13.040 2.988 654 H ASN 680 H ASN 680 10.881 18.932 7.865 655 HA ASN 680 HA ASN 680 13.539 19.800 8.420 656 HB2 ASN 680 2HB ASN 680 10.966 20.409 9.911 657 HB3 ASN 680 1HB ASN 680 12.506 21.179 10.243 658 HD21 ASN 680 2HD ASN 680 10.197 22.335 7.129 659 H ASN 681 H ASN 681 14.767 18.256 9.159 660 HA ASN 681 HA ASN 681 14.310 17.256 11.843 661 HB2 ASN 681 2HB ASN 681 13.392 15.490 10.391 662 HB3 ASN 681 1HB ASN 681 14.857 15.498 9.424 663 HD21 ASN 681 2HD ASN 681 14.661 13.424 12.890 664 H GLU 682 H GLU 682 16.203 17.177 12.918 665 HA GLU 682 HA GLU 682 18.374 18.657 11.912 666 HB2 GLU 682 2HB GLU 682 18.220 16.943 14.377 667 HB3 GLU 682 1HB GLU 682 19.446 18.154 14.035 668 HG2 GLU 682 2HG GLU 682 17.755 19.892 14.012 669 HG3 GLU 682 1HG GLU 682 16.507 18.695 14.334 670 H LYS 683 H LYS 683 17.830 15.230 12.089 671 HA LYS 683 HA LYS 683 20.577 14.598 11.337 672 HB2 LYS 683 2HB LYS 683 19.402 13.201 12.993 673 HB3 LYS 683 1HB LYS 683 18.139 12.869 11.820 674 HG2 LYS 683 2HG LYS 683 19.744 11.662 10.442 675 HG3 LYS 683 1HG LYS 683 21.019 12.018 11.602 676 HD2 LYS 683 2HD LYS 683 20.175 9.755 11.921 677 HD3 LYS 683 1HD LYS 683 19.782 10.752 13.318 678 HE2 LYS 683 2HE LYS 683 17.502 11.047 12.456 679 HE3 LYS 683 1HE LYS 683 17.909 10.066 11.049 680 HZ1 LYS 683 3HZ LYS 683 16.738 8.786 12.707 681 HZ2 LYS 683 1HZ LYS 683 17.905 9.139 13.871 682 HZ3 LYS 683 2HZ LYS 683 18.294 8.200 12.524 683 H ARG 684 H ARG 684 17.875 15.662 9.864 684 HA ARG 684 HA ARG 684 16.712 15.404 8.030 685 HB2 ARG 684 2HB ARG 684 17.930 15.750 5.913 686 HB3 ARG 684 1HB ARG 684 18.400 16.857 7.184 687 HG2 ARG 684 2HG ARG 684 20.390 15.574 7.585 688 HG3 ARG 684 1HG ARG 684 19.877 14.419 6.347 689 HD2 ARG 684 2HD ARG 684 19.886 16.124 4.694 690 HD3 ARG 684 1HD ARG 684 20.352 17.340 5.891 691 HE ARG 684 HE ARG 684 22.270 15.358 5.979 692 HH12 ARG 684 1HH ARG 684 22.599 17.763 2.753 693 HH21 ARG 684 2HH ARG 684 24.458 16.568 3.522 694 H THR 685 H THR 685 15.763 13.764 8.326 695 HA THR 685 HA THR 685 16.700 11.267 7.158 696 HB THR 685 HB THR 685 16.034 11.081 9.529 697 HG1 THR 685 1HG THR 685 14.385 9.701 7.655 698 HG21 THR 685 2HG THR 685 13.675 11.288 10.212 699 HA PRO 686 HA PRO 686 13.701 11.876 3.871 700 HB2 PRO 686 2HB PRO 686 14.243 9.031 3.348 701 HB3 PRO 686 1HB PRO 686 14.460 10.414 2.264 702 HG2 PRO 686 2HG PRO 686 16.563 9.118 3.307 703 HG3 PRO 686 1HG PRO 686 16.580 10.876 3.079 704 HD2 PRO 686 2HD PRO 686 16.123 9.298 5.579 705 HD3 PRO 686 1HD PRO 686 17.073 10.780 5.319 706 H ARG 687 H ARG 687 11.537 11.190 3.644 707 HA ARG 687 HA ARG 687 10.355 10.183 5.940 708 HB2 ARG 687 2HB ARG 687 9.352 11.773 4.367 709 HB3 ARG 687 1HB ARG 687 9.264 10.512 3.162 710 HG2 ARG 687 2HG ARG 687 7.120 10.876 4.122 711 HG3 ARG 687 1HG ARG 687 7.729 9.277 4.596 712 HD2 ARG 687 2HD ARG 687 7.944 11.729 6.332 713 HD3 ARG 687 1HD ARG 687 6.546 10.669 6.398 714 HE ARG 687 HE ARG 687 7.984 8.943 7.229 715 HH12 ARG 687 1HH ARG 687 10.426 11.947 8.520 716 HH21 ARG 687 2HH ARG 687 10.382 9.915 9.679 717 H ALA 688 H ALA 688 9.072 8.351 6.127 718 HA ALA 688 HA ALA 688 9.549 6.094 4.392 719 HB1 ALA 688 1HB ALA 688 11.251 5.894 6.138 720 HB2 ALA 688 2HB ALA 688 10.014 4.653 6.349 721 HB3 ALA 688 3HB ALA 688 10.017 6.083 7.383 722 H THR 689 H THR 689 7.894 4.604 4.550 723 HA THR 689 HA THR 689 5.609 5.174 6.244 724 HB THR 689 HB THR 689 5.694 5.234 3.266 725 HG1 THR 689 1HG THR 689 5.754 6.939 5.054 726 HG21 THR 689 2HG THR 689 3.187 4.869 4.952 727 H LEU 690 H LEU 690 4.519 3.376 6.892 728 HA LEU 690 HA LEU 690 5.175 0.898 5.571 729 HB2 LEU 690 2HB LEU 690 6.504 1.157 7.588 730 HB3 LEU 690 1HB LEU 690 5.042 1.443 8.513 731 HG LEU 690 HG LEU 690 4.276 -0.823 7.932 732 HD13 LEU 690 1HD LEU 690 5.940 -2.384 7.022 733 HD21 LEU 690 2HD LEU 690 5.755 -1.971 9.394 734 H ILE 691 H ILE 691 3.308 0.157 4.849 735 HA ILE 691 HA ILE 691 0.811 0.804 6.233 736 HB ILE 691 HB ILE 691 1.171 -0.919 3.754 737 HG12 ILE 691 1HG ILE 691 0.054 1.027 2.536 738 HG23 ILE 691 2HG ILE 691 -1.182 -0.797 3.449 739 HD11 ILE 691 1HD ILE 691 2.382 0.607 2.189 740 H THR 692 H THR 692 -0.257 -0.690 7.496 741 HA THR 692 HA THR 692 1.019 -3.306 7.655 742 HB THR 692 HB THR 692 -0.700 -1.903 9.730 743 HG1 THR 692 1HG THR 692 1.602 -1.224 8.971 744 HG21 THR 692 2HG THR 692 -0.600 -4.391 9.919 745 H PHE 693 H PHE 693 -0.170 -4.989 6.972 746 HA PHE 693 HA PHE 693 -2.900 -4.521 6.117 747 HB2 PHE 693 2HB PHE 693 -0.908 -6.750 5.561 748 HB3 PHE 693 1HB PHE 693 -2.557 -6.755 4.985 749 HD1 PHE 693 1HD PHE 693 0.085 -4.095 4.996 750 HD2 PHE 693 2HD PHE 693 -2.544 -6.511 2.679 751 HE1 PHE 693 1HE PHE 693 0.778 -2.899 2.961 752 HE2 PHE 693 2HE PHE 693 -1.854 -5.278 0.636 753 HZ PHE 693 HZ PHE 693 -0.193 -3.495 0.791 754 H LEU 694 H LEU 694 -4.457 -5.058 7.439 755 HA LEU 694 HA LEU 694 -4.004 -7.015 9.583 756 HB2 LEU 694 2HB LEU 694 -6.155 -4.901 9.358 757 HB3 LEU 694 1HB LEU 694 -6.022 -6.047 10.665 758 HG LEU 694 HG LEU 694 -5.246 -4.017 11.494 759 HD13 LEU 694 1HD LEU 694 -2.900 -4.381 12.032 760 HD21 LEU 694 2HD LEU 694 -3.484 -2.646 10.457 761 H CYS 695 H CYS 695 -5.837 -8.375 10.213 762 HA CYS 695 HA CYS 695 -7.142 -9.436 7.817 763 HB2 CYS 695 2HB CYS 695 -5.825 -11.145 8.837 764 HB3 CYS 695 1HB CYS 695 -6.381 -10.728 10.442 765 H ASP 696 H ASP 696 -8.812 -8.023 7.791 766 HA ASP 696 HA ASP 696 -10.787 -8.224 9.922 767 HB2 ASP 696 2HB ASP 696 -10.396 -5.967 8.955 768 HB3 ASP 696 1HB ASP 696 -10.841 -6.591 7.365 769 H ARG 697 H ARG 697 -12.816 -9.164 9.524 770 HA ARG 697 HA ARG 697 -12.602 -11.117 7.424 771 HB2 ARG 697 2HB ARG 697 -14.622 -10.927 9.673 772 HB3 ARG 697 1HB ARG 697 -14.705 -12.141 8.407 773 HG2 ARG 697 2HG ARG 697 -13.712 -13.128 10.367 774 HG3 ARG 697 1HG ARG 697 -12.473 -12.983 9.125 775 HD2 ARG 697 2HD ARG 697 -11.687 -10.901 10.250 776 HD3 ARG 697 1HD ARG 697 -12.862 -11.187 11.529 777 HE ARG 697 HE ARG 697 -11.209 -13.446 11.128 778 HH12 ARG 697 1HH ARG 697 -9.956 -10.621 13.747 779 HH21 ARG 697 2HH ARG 697 -8.933 -12.721 13.716 780 H ASP 698 H ASP 698 -12.703 -9.654 5.805 781 HA ASP 698 HA ASP 698 -15.393 -9.183 4.821 782 HB2 ASP 698 2HB ASP 698 -14.891 -7.075 5.895 783 HB3 ASP 698 1HB ASP 698 -13.296 -7.024 5.161 784 H ALA 699 H ALA 699 -15.448 -9.883 2.803 785 HA ALA 699 HA ALA 699 -13.005 -10.615 1.480 786 HB1 ALA 699 1HB ALA 699 -15.869 -10.861 0.550 787 HB2 ALA 699 2HB ALA 699 -14.951 -12.109 1.396 788 HB3 ALA 699 3HB ALA 699 -14.467 -11.599 -0.224 789 H GLY 700 H GLY 700 -11.888 -9.002 0.623 790 HA2 GLY 700 2HA GLY 700 -12.856 -7.648 -1.645 791 HA3 GLY 700 1HA GLY 700 -12.786 -6.569 -0.254 792 H VAL 701 H VAL 701 -11.228 -5.693 -2.007 793 HA VAL 701 HA VAL 701 -8.627 -6.922 -2.043 794 HB VAL 701 HB VAL 701 -9.469 -4.160 -3.009 795 HG13 VAL 701 1HG VAL 701 -7.038 -4.390 -2.653 796 HG21 VAL 701 2HG VAL 701 -10.715 -5.916 -4.150 797 H GLY 702 H GLY 702 -10.268 -4.469 -0.261 798 HA2 GLY 702 2HA GLY 702 -9.581 -4.047 2.006 799 HA3 GLY 702 1HA GLY 702 -7.922 -4.232 1.457 800 H PHE 703 H PHE 703 -9.733 -2.053 2.691 801 HA PHE 703 HA PHE 703 -8.819 0.013 0.849 802 HB2 PHE 703 2HB PHE 703 -11.255 0.032 1.197 803 HB3 PHE 703 1HB PHE 703 -11.021 0.206 2.931 804 HD1 PHE 703 2HD PHE 703 -10.388 1.835 -0.310 805 HD2 PHE 703 1HD PHE 703 -10.752 2.323 3.886 806 HE1 PHE 703 2HE PHE 703 -10.290 4.277 -0.589 807 HE2 PHE 703 1HE PHE 703 -10.651 4.748 3.618 808 HZ PHE 703 HZ PHE 703 -10.407 5.729 1.375 809 HA PRO 704 HA PRO 704 -5.875 0.894 4.081 810 HB2 PRO 704 2HB PRO 704 -4.479 2.778 2.755 811 HB3 PRO 704 1HB PRO 704 -4.335 1.060 2.378 812 HG2 PRO 704 2HG PRO 704 -5.865 3.187 0.949 813 HG3 PRO 704 1HG PRO 704 -4.940 1.835 0.283 814 HD2 PRO 704 2HD PRO 704 -7.677 1.863 0.547 815 HD3 PRO 704 1HD PRO 704 -6.691 0.390 0.473 816 H GLU 705 H GLU 705 -5.875 2.232 5.704 817 HA GLU 705 HA GLU 705 -7.112 4.900 5.546 818 HB2 GLU 705 2HB GLU 705 -7.414 2.679 7.533 819 HB3 GLU 705 1HB GLU 705 -7.782 4.342 7.969 820 HG2 GLU 705 2HG GLU 705 -9.048 3.137 5.555 821 HG3 GLU 705 1HG GLU 705 -9.702 2.737 7.164 822 H TYR 706 H TYR 706 -6.128 6.459 6.929 823 HA TYR 706 HA TYR 706 -3.343 5.913 7.497 824 HB2 TYR 706 2HB TYR 706 -3.895 8.038 6.460 825 HB3 TYR 706 1HB TYR 706 -4.999 8.427 7.769 826 HD1 TYR 706 1HD TYR 706 -1.516 7.076 7.926 827 HD2 TYR 706 2HD TYR 706 -4.106 10.330 8.770 828 HE1 TYR 706 1HE TYR 706 0.291 8.184 9.124 829 HE2 TYR 706 2HE TYR 706 -2.281 11.480 9.969 830 HH TYR 706 HH TYR 706 -0.248 10.949 11.099 831 H GLN 707 H GLN 707 -2.463 5.565 9.533 832 HA GLN 707 HA GLN 707 -4.241 6.136 11.750 833 HB2 GLN 707 2HB GLN 707 -3.099 4.370 13.071 834 HB3 GLN 707 1HB GLN 707 -3.802 3.701 11.616 835 HG2 GLN 707 2HG GLN 707 -1.540 3.728 10.615 836 HG3 GLN 707 1HG GLN 707 -0.915 4.266 12.174 837 HE21 GLN 707 2HE GLN 707 -0.395 0.905 12.895 838 H GLU 708 H GLU 708 -3.715 7.782 12.861 839 HA GLU 708 HA GLU 708 -1.607 9.460 12.128 840 HB2 GLU 708 2HB GLU 708 -3.755 10.187 13.089 841 HB3 GLU 708 1HB GLU 708 -3.260 9.532 14.642 842 HG2 GLU 708 2HG GLU 708 -2.918 11.902 14.656 843 HG3 GLU 708 1HG GLU 708 -1.350 11.099 14.639 844 H GLU 709 H GLU 709 0.448 9.562 12.728 845 HA GLU 709 HA GLU 709 1.219 8.790 15.401 846 HB2 GLU 709 2HB GLU 709 1.589 6.763 13.934 847 HB3 GLU 709 1HB GLU 709 2.695 7.726 12.963 848 HG2 GLU 709 2HG GLU 709 4.185 7.991 14.842 849 HG3 GLU 709 1HG GLU 709 3.043 7.171 15.896 850 H ASP 710 H ASP 710 2.482 10.318 16.230 851 HA ASP 710 HA ASP 710 3.054 12.669 14.686 852 HB2 ASP 710 2HB ASP 710 2.311 12.730 17.064 853 HB3 ASP 710 1HB ASP 710 3.839 12.011 17.537 854 H ASN 711 H ASN 711 4.730 9.863 15.164 855 HA ASN 711 HA ASN 711 7.441 10.728 15.237 856 HB2 ASN 711 2HB ASN 711 6.288 8.106 14.269 857 HB3 ASN 711 1HB ASN 711 8.001 8.424 14.482 858 HD21 ASN 711 2HD ASN 711 6.365 6.754 17.440 859 H SER 712 H SER 712 5.195 10.911 12.841 860 HA SER 712 HA SER 712 5.109 11.639 10.808 861 HB2 SER 712 2HB SER 712 7.029 12.719 9.601 862 HB3 SER 712 1HB SER 712 6.796 13.347 11.223 863 HG SER 712 HG SER 712 8.512 11.554 11.659 864 H THR 713 H THR 713 6.786 8.886 11.502 865 HA THR 713 HA THR 713 6.997 8.066 8.763 866 HB THR 713 HB THR 713 7.215 6.455 11.333 867 HG1 THR 713 1HG THR 713 9.200 7.179 11.402 868 HG21 THR 713 2HG THR 713 6.711 5.051 9.358 869 H TYR 714 H TYR 714 5.266 7.696 7.701 870 HA TYR 714 HA TYR 714 2.777 7.596 9.008 871 HB2 TYR 714 2HB TYR 714 3.491 7.552 6.091 872 HB3 TYR 714 1HB TYR 714 1.843 7.617 6.708 873 HD1 TYR 714 2HD TYR 714 1.246 9.551 8.234 874 HD2 TYR 714 1HD TYR 714 4.739 9.576 5.816 875 HE1 TYR 714 2HE TYR 714 1.344 11.971 8.447 876 HE2 TYR 714 1HE TYR 714 4.837 12.042 6.028 877 HH TYR 714 HH TYR 714 3.153 13.908 6.511 878 H ASN 715 H ASN 715 2.005 5.907 9.869 879 HA ASN 715 HA ASN 715 2.235 3.325 8.557 880 HB2 ASN 715 2HB ASN 715 1.417 4.132 11.337 881 HB3 ASN 715 1HB ASN 715 0.929 2.595 10.677 882 HD21 ASN 715 2HD ASN 715 3.973 0.998 11.060 883 H PHE 716 H PHE 716 0.580 2.274 7.773 884 HA PHE 716 HA PHE 716 -1.993 3.637 7.883 885 HB2 PHE 716 2HB PHE 716 -0.734 2.341 5.484 886 HB3 PHE 716 1HB PHE 716 -2.437 2.801 5.557 887 HD1 PHE 716 1HD PHE 716 -3.105 5.082 5.571 888 HD2 PHE 716 2HD PHE 716 1.009 4.043 5.416 889 HE1 PHE 716 1HE PHE 716 -2.532 7.405 4.985 890 HE2 PHE 716 2HE PHE 716 1.562 6.367 4.825 891 HZ PHE 716 HZ PHE 716 -0.266 8.038 4.629 892 H ARG 717 H ARG 717 -3.815 2.439 7.796 893 HA ARG 717 HA ARG 717 -3.423 -0.260 8.834 894 HB2 ARG 717 2HB ARG 717 -4.241 1.505 10.398 895 HB3 ARG 717 1HB ARG 717 -5.613 1.763 9.341 896 HG2 ARG 717 2HG ARG 717 -6.441 -0.442 9.829 897 HG3 ARG 717 1HG ARG 717 -5.003 -0.794 10.796 898 HD2 ARG 717 2HD ARG 717 -7.027 1.380 11.374 899 HD3 ARG 717 1HD ARG 717 -6.895 -0.157 12.224 900 HE ARG 717 HE ARG 717 -4.416 1.188 12.306 901 HH12 ARG 717 1HH ARG 717 -7.111 2.174 15.160 902 HH21 ARG 717 2HH ARG 717 -4.822 2.639 15.477 903 H TRP 718 H TRP 718 -3.743 -1.506 7.111 904 HA TRP 718 HA TRP 718 -5.885 -0.901 5.179 905 HB2 TRP 718 2HB TRP 718 -3.498 -0.965 4.390 906 HB3 TRP 718 1HB TRP 718 -3.391 -2.621 4.932 907 HD1 TRP 718 HD TRP 718 -5.996 -3.834 3.564 908 HE1 TRP 718 1HE TRP 718 -6.093 -4.050 0.985 909 HE3 TRP 718 3HE TRP 718 -2.426 -0.312 2.212 910 HZ2 TRP 718 2HZ TRP 718 -4.871 -2.954 -1.245 911 HZ3 TRP 718 3HZ TRP 718 -1.986 -0.019 -0.148 912 HH2 TRP 718 HH TRP 718 -3.171 -1.308 -1.843 913 H TYR 719 H TYR 719 -7.661 -2.158 5.564 914 HA TYR 719 HA TYR 719 -7.271 -4.769 6.835 915 HB2 TYR 719 2HB TYR 719 -9.770 -3.141 6.389 916 HB3 TYR 719 1HB TYR 719 -9.756 -4.755 7.080 917 HD1 TYR 719 2HD TYR 719 -8.615 -5.108 9.281 918 HD2 TYR 719 1HD TYR 719 -9.347 -1.232 7.700 919 HE1 TYR 719 2HE TYR 719 -8.356 -4.157 11.522 920 HE2 TYR 719 1HE TYR 719 -9.079 -0.270 9.943 921 HH TYR 719 HH TYR 719 -7.794 -2.055 12.534 922 H THR 720 H THR 720 -6.912 -6.335 5.408 923 HA THR 720 HA THR 720 -8.791 -6.550 3.226 924 HB THR 720 HB THR 720 -6.863 -5.586 2.143 925 HG1 THR 720 1HG THR 720 -7.185 -6.860 0.603 926 HG21 THR 720 2HG THR 720 -5.267 -7.883 3.234 927 H SER 721 H SER 721 -9.380 -8.568 2.658 928 HA SER 721 HA SER 721 -9.045 -10.641 4.533 929 HB2 SER 721 2HB SER 721 -11.017 -10.437 3.025 930 HB3 SER 721 1HB SER 721 -9.982 -10.807 1.650 931 HG SER 721 HG SER 721 -10.590 -12.492 3.853 932 H TYR 722 H TYR 722 -7.247 -9.595 1.773 933 HA TYR 722 HA TYR 722 -5.762 -11.966 1.278 934 HB2 TYR 722 2HB TYR 722 -5.250 -9.085 0.530 935 HB3 TYR 722 1HB TYR 722 -4.222 -10.411 0.016 936 HD1 TYR 722 2HD TYR 722 -5.075 -12.078 -1.583 937 HD2 TYR 722 1HD TYR 722 -7.392 -8.680 -0.513 938 HE1 TYR 722 2HE TYR 722 -6.493 -12.438 -3.540 939 HE2 TYR 722 1HE TYR 722 -8.825 -9.041 -2.487 940 HH TYR 722 HH TYR 722 -8.796 -11.915 -4.215 941 H ALA 723 H ALA 723 -5.637 -9.769 3.818 942 HA ALA 723 HA ALA 723 -2.783 -10.110 4.300 943 HB1 ALA 723 1HB ALA 723 -4.867 -8.697 5.935 944 HB2 ALA 723 2HB ALA 723 -3.877 -7.974 4.671 945 HB3 ALA 723 3HB ALA 723 -3.114 -8.602 6.138 946 H CYS 724 H CYS 724 -5.114 -12.130 4.507 947 HA CYS 724 HA CYS 724 -4.482 -13.099 7.177 948 HB2 CYS 724 2HB CYS 724 -6.602 -11.704 6.975 949 HB3 CYS 724 1HB CYS 724 -7.223 -12.986 5.961 950 HA PRO 725 HA PRO 725 -4.343 -16.833 4.612 951 HB2 PRO 725 2HB PRO 725 -4.763 -18.501 6.963 952 HB3 PRO 725 1HB PRO 725 -3.289 -18.295 6.016 953 HG2 PRO 725 2HG PRO 725 -3.593 -17.377 8.577 954 HG3 PRO 725 1HG PRO 725 -2.480 -16.661 7.408 955 HD2 PRO 725 2HD PRO 725 -5.172 -15.723 8.292 956 HD3 PRO 725 1HD PRO 725 -3.719 -14.794 7.872 Start of MODEL 14 1 H1 GLU 578 1HT GLU 578 18.079 -20.986 29.611 2 H2 GLU 578 2HT GLU 578 18.557 -19.405 29.638 3 H3 GLU 578 3HT GLU 578 19.712 -20.606 29.387 4 HA GLU 578 HA GLU 578 19.144 -19.483 27.312 5 HB2 GLU 578 2HB GLU 578 17.953 -22.254 27.496 6 HB3 GLU 578 1HB GLU 578 18.345 -21.418 26.001 7 HG2 GLU 578 2HG GLU 578 20.289 -22.228 28.134 8 HG3 GLU 578 1HG GLU 578 20.047 -23.041 26.586 9 H ALA 579 H ALA 579 17.461 -19.134 25.664 10 HA ALA 579 HA ALA 579 14.814 -18.903 26.877 11 HB1 ALA 579 1HB ALA 579 16.141 -17.029 24.914 12 HB2 ALA 579 2HB ALA 579 15.860 -16.700 26.625 13 HB3 ALA 579 3HB ALA 579 14.493 -16.883 25.528 14 H GLU 580 H GLU 580 13.282 -19.949 25.796 15 HA GLU 580 HA GLU 580 13.887 -20.731 23.063 16 HB2 GLU 580 2HB GLU 580 12.149 -22.530 23.396 17 HB3 GLU 580 1HB GLU 580 13.616 -22.724 24.337 18 HG2 GLU 580 2HG GLU 580 12.505 -21.963 26.323 19 HG3 GLU 580 1HG GLU 580 11.053 -21.560 25.408 20 H ALA 581 H ALA 581 13.173 -19.036 21.970 21 HA ALA 581 HA ALA 581 10.295 -18.590 22.026 22 HB1 ALA 581 1HB ALA 581 11.376 -16.731 23.175 23 HB2 ALA 581 2HB ALA 581 10.705 -16.207 21.626 24 HB3 ALA 581 3HB ALA 581 12.437 -16.481 21.792 25 H GLU 582 H GLU 582 9.423 -18.617 20.055 26 HA GLU 582 HA GLU 582 11.297 -19.040 17.876 27 HB2 GLU 582 2HB GLU 582 9.666 -20.851 18.405 28 HB3 GLU 582 1HB GLU 582 8.363 -19.735 18.058 29 HG2 GLU 582 2HG GLU 582 9.080 -19.595 15.748 30 HG3 GLU 582 1HG GLU 582 10.430 -20.674 16.087 31 H PHE 583 H PHE 583 11.744 -16.930 17.419 32 HA PHE 583 HA PHE 583 9.639 -15.037 16.966 33 HB2 PHE 583 2HB PHE 583 12.614 -14.826 16.502 34 HB3 PHE 583 1HB PHE 583 11.482 -13.520 16.200 35 HD1 PHE 583 2HD PHE 583 10.295 -12.469 18.094 36 HD2 PHE 583 1HD PHE 583 13.370 -15.344 18.707 37 HE1 PHE 583 2HE PHE 583 10.524 -11.727 20.430 38 HE2 PHE 583 1HE PHE 583 13.603 -14.607 21.028 39 HZ PHE 583 HZ PHE 583 12.188 -12.803 21.901 40 H LEU 584 H LEU 584 8.831 -14.365 15.114 41 HA LEU 584 HA LEU 584 9.519 -15.822 12.692 42 HB2 LEU 584 2HB LEU 584 7.116 -15.463 13.532 43 HB3 LEU 584 1HB LEU 584 7.327 -13.768 13.180 44 HG LEU 584 HG LEU 584 7.374 -15.991 11.117 45 HD13 LEU 584 1HD LEU 584 5.184 -15.755 12.121 46 HD21 LEU 584 2HD LEU 584 7.213 -12.998 10.722 47 H SER 585 H SER 585 9.356 -12.623 14.147 48 HA SER 585 HA SER 585 10.392 -10.674 13.814 49 HB2 SER 585 2HB SER 585 12.455 -12.122 13.781 50 HB3 SER 585 1HB SER 585 12.287 -12.263 12.037 51 HG SER 585 HG SER 585 13.720 -10.690 12.389 52 H ARG 586 H ARG 586 11.505 -9.527 11.530 53 HA ARG 586 HA ARG 586 9.139 -9.504 9.780 54 HB2 ARG 586 2HB ARG 586 9.757 -7.311 10.793 55 HB3 ARG 586 1HB ARG 586 11.332 -7.422 10.012 56 HG2 ARG 586 2HG ARG 586 10.211 -7.477 7.827 57 HG3 ARG 586 1HG ARG 586 8.665 -7.248 8.638 58 HD2 ARG 586 2HD ARG 586 9.473 -5.132 7.754 59 HD3 ARG 586 1HD ARG 586 9.472 -5.087 9.512 60 HE ARG 586 HE ARG 586 11.759 -5.037 9.526 61 HH12 ARG 586 1HH ARG 586 12.117 -5.052 5.463 62 HH21 ARG 586 2HH ARG 586 13.924 -4.346 6.803 63 H THR 587 H THR 587 9.314 -10.600 8.056 64 HA THR 587 HA THR 587 11.956 -10.933 6.791 65 HB THR 587 HB THR 587 9.508 -12.704 6.529 66 HG1 THR 587 1HG THR 587 10.295 -12.930 8.617 67 HG21 THR 587 2HG THR 587 11.102 -14.297 5.547 68 H GLU 588 H GLU 588 12.140 -9.779 4.850 69 HA GLU 588 HA GLU 588 9.624 -9.218 3.477 70 HB2 GLU 588 2HB GLU 588 10.765 -7.352 2.301 71 HB3 GLU 588 1HB GLU 588 10.713 -7.141 4.039 72 HG2 GLU 588 2HG GLU 588 13.058 -7.793 4.191 73 HG3 GLU 588 1HG GLU 588 13.103 -8.052 2.446 74 H GLY 589 H GLY 589 9.274 -9.622 1.412 75 HA2 GLY 589 2HA GLY 589 11.165 -11.563 0.243 76 HA3 GLY 589 1HA GLY 589 9.443 -11.526 -0.094 77 H ASP 590 H ASP 590 9.550 -8.600 -0.331 78 HA ASP 590 HA ASP 590 9.767 -6.930 -1.877 79 HB2 ASP 590 2HB ASP 590 12.288 -7.547 -1.651 80 HB3 ASP 590 1HB ASP 590 12.086 -8.462 -3.132 81 H ASN 591 H ASN 591 9.873 -6.647 -4.452 82 HA ASN 591 HA ASN 591 8.484 -6.746 -6.229 83 HB2 ASN 591 2HB ASN 591 9.598 -9.544 -6.206 84 HB3 ASN 591 1HB ASN 591 8.660 -8.897 -7.549 85 HD21 ASN 591 2HD ASN 591 12.379 -8.469 -7.968 86 H CYS 592 H CYS 592 6.756 -6.682 -4.278 87 HA CYS 592 HA CYS 592 4.529 -6.895 -3.905 88 HB2 CYS 592 2HB CYS 592 4.507 -8.510 -6.463 89 HB3 CYS 592 1HB CYS 592 3.080 -7.917 -5.621 90 H THR 593 H THR 593 6.595 -9.147 -3.296 91 HA THR 593 HA THR 593 4.561 -11.017 -2.427 92 HB THR 593 HB THR 593 6.175 -12.888 -2.883 93 HG1 THR 593 1HG THR 593 7.671 -10.761 -3.813 94 HG21 THR 593 2HG THR 593 4.247 -12.471 -4.356 95 H VAL 594 H VAL 594 5.136 -12.256 -0.654 96 HA VAL 594 HA VAL 594 7.525 -11.555 0.758 97 HB VAL 594 HB VAL 594 6.008 -10.005 1.807 98 HG13 VAL 594 1HG VAL 594 3.915 -10.928 0.955 99 HG21 VAL 594 2HG VAL 594 5.835 -10.775 4.016 100 H PHE 595 H PHE 595 8.353 -13.245 1.786 101 HA PHE 595 HA PHE 595 6.716 -15.580 2.090 102 HB2 PHE 595 2HB PHE 595 8.556 -17.012 1.222 103 HB3 PHE 595 1HB PHE 595 7.831 -15.982 -0.001 104 HD1 PHE 595 2HD PHE 595 10.818 -16.523 2.090 105 HD2 PHE 595 1HD PHE 595 9.122 -14.323 -1.136 106 HE1 PHE 595 2HE PHE 595 13.044 -15.698 1.484 107 HE2 PHE 595 1HE PHE 595 11.358 -13.495 -1.747 108 HZ PHE 595 HZ PHE 595 13.320 -14.186 -0.431 109 H ASP 596 H ASP 596 7.459 -16.962 3.627 110 HA ASP 596 HA ASP 596 8.997 -15.600 5.736 111 HB2 ASP 596 2HB ASP 596 7.122 -17.984 5.789 112 HB3 ASP 596 1HB ASP 596 8.135 -17.540 7.153 113 H SER 597 H SER 597 11.095 -16.102 5.728 114 HA SER 597 HA SER 597 12.159 -18.373 4.485 115 HB2 SER 597 2HB SER 597 13.380 -16.580 6.591 116 HB3 SER 597 1HB SER 597 14.271 -17.661 5.514 117 HG SER 597 HG SER 597 13.676 -16.429 3.785 118 H GLN 598 H GLN 598 11.326 -17.652 7.834 119 HA GLN 598 HA GLN 598 12.234 -20.213 8.654 120 HB2 GLN 598 2HB GLN 598 11.171 -19.593 10.889 121 HB3 GLN 598 1HB GLN 598 12.655 -18.800 10.387 122 HG2 GLN 598 2HG GLN 598 11.090 -17.277 11.524 123 HG3 GLN 598 1HG GLN 598 11.374 -16.777 9.870 124 HE21 GLN 598 2HE GLN 598 8.024 -16.852 8.987 125 H ALA 599 H ALA 599 9.119 -19.007 7.843 126 HA ALA 599 HA ALA 599 7.915 -21.448 8.914 127 HB1 ALA 599 1HB ALA 599 6.819 -19.316 9.423 128 HB2 ALA 599 2HB ALA 599 5.759 -20.422 8.550 129 HB3 ALA 599 3HB ALA 599 6.519 -19.076 7.703 130 H GLY 600 H GLY 600 8.983 -20.242 5.872 131 HA2 GLY 600 2HA GLY 600 8.937 -21.195 3.795 132 HA3 GLY 600 1HA GLY 600 8.201 -22.620 4.522 133 H PHE 601 H PHE 601 6.912 -19.397 4.704 134 HA PHE 601 HA PHE 601 4.512 -20.328 3.284 135 HB2 PHE 601 2HB PHE 601 4.216 -19.848 5.681 136 HB3 PHE 601 1HB PHE 601 4.836 -18.222 5.429 137 HD1 PHE 601 1HD PHE 601 2.102 -20.536 4.658 138 HD2 PHE 601 2HD PHE 601 3.423 -16.470 4.647 139 HE1 PHE 601 1HE PHE 601 -0.178 -19.793 4.164 140 HE2 PHE 601 2HE PHE 601 1.159 -15.756 4.168 141 HZ PHE 601 HZ PHE 601 -0.648 -17.395 3.920 142 H SER 602 H SER 602 3.375 -18.637 1.954 143 HA SER 602 HA SER 602 5.006 -16.333 1.303 144 HB2 SER 602 2HB SER 602 4.666 -16.778 -1.127 145 HB3 SER 602 1HB SER 602 5.708 -17.957 -0.330 146 HG SER 602 HG SER 602 3.144 -18.244 -1.387 147 H PHE 603 H PHE 603 3.882 -14.545 0.826 148 HA PHE 603 HA PHE 603 1.047 -14.742 0.075 149 HB2 PHE 603 2HB PHE 603 2.262 -12.843 2.067 150 HB3 PHE 603 1HB PHE 603 0.952 -12.283 1.057 151 HD1 PHE 603 2HD PHE 603 -1.002 -14.301 1.079 152 HD2 PHE 603 1HD PHE 603 1.661 -13.203 4.200 153 HE1 PHE 603 2HE PHE 603 -2.631 -15.106 2.746 154 HE2 PHE 603 1HE PHE 603 0.036 -14.001 5.869 155 HZ PHE 603 HZ PHE 603 -2.115 -14.949 5.136 156 H ASP 604 H ASP 604 0.415 -13.377 -1.472 157 HA ASP 604 HA ASP 604 2.366 -11.471 -2.509 158 HB2 ASP 604 2HB ASP 604 1.768 -11.919 -4.852 159 HB3 ASP 604 1HB ASP 604 2.368 -13.387 -4.099 160 H LEU 605 H LEU 605 1.566 -9.518 -2.983 161 HA LEU 605 HA LEU 605 -1.335 -9.323 -2.642 162 HB2 LEU 605 2HB LEU 605 0.681 -7.288 -1.631 163 HB3 LEU 605 1HB LEU 605 -1.069 -7.172 -1.511 164 HG LEU 605 HG LEU 605 0.624 -9.248 -0.116 165 HD13 LEU 605 1HD LEU 605 0.011 -8.059 1.914 166 HD21 LEU 605 2HD LEU 605 -1.608 -10.117 -0.639 167 H THR 606 H THR 606 0.276 -9.570 -5.047 168 HA THR 606 HA THR 606 0.548 -7.258 -6.442 169 HB THR 606 HB THR 606 -0.361 -9.907 -7.559 170 HG1 THR 606 1HG THR 606 1.954 -10.310 -7.555 171 HG21 THR 606 2HG THR 606 -0.176 -7.992 -9.097 172 HA PRO 607 HA PRO 607 -4.184 -7.722 -7.888 173 HB2 PRO 607 2HB PRO 607 -5.843 -8.859 -6.007 174 HB3 PRO 607 1HB PRO 607 -5.177 -9.739 -7.389 175 HG2 PRO 607 2HG PRO 607 -4.217 -9.652 -4.552 176 HG3 PRO 607 1HG PRO 607 -4.370 -11.050 -5.634 177 HD2 PRO 607 2HD PRO 607 -2.001 -9.902 -5.177 178 HD3 PRO 607 1HD PRO 607 -2.424 -10.521 -6.783 179 H LEU 608 H LEU 608 -2.961 -7.090 -4.740 180 HA LEU 608 HA LEU 608 -4.988 -5.270 -3.869 181 HB2 LEU 608 2HB LEU 608 -2.154 -5.803 -2.925 182 HB3 LEU 608 1HB LEU 608 -3.211 -4.613 -2.225 183 HG LEU 608 HG LEU 608 -2.950 -6.739 -0.901 184 HD13 LEU 608 1HD LEU 608 -5.702 -6.016 -1.759 185 HD21 LEU 608 2HD LEU 608 -3.021 -8.322 -2.772 186 H THR 609 H THR 609 -2.216 -5.193 -5.901 187 HA THR 609 HA THR 609 -1.594 -2.398 -5.655 188 HB THR 609 HB THR 609 -0.774 -4.420 -7.759 189 HG1 THR 609 1HG THR 609 -0.229 -4.743 -5.386 190 HG21 THR 609 2HG THR 609 0.496 -1.789 -6.953 191 H LYS 610 H LYS 610 -2.357 -0.727 -6.928 192 HA LYS 610 HA LYS 610 -4.111 -1.407 -9.205 193 HB2 LYS 610 2HB LYS 610 -4.196 0.968 -7.384 194 HB3 LYS 610 1HB LYS 610 -5.197 0.795 -8.803 195 HG2 LYS 610 2HG LYS 610 -6.180 -1.276 -7.701 196 HG3 LYS 610 1HG LYS 610 -5.309 -0.776 -6.255 197 HD2 LYS 610 2HD LYS 610 -6.431 1.377 -6.266 198 HD3 LYS 610 1HD LYS 610 -7.310 0.928 -7.726 199 HE2 LYS 610 2HE LYS 610 -7.478 -0.441 -5.060 200 HE3 LYS 610 1HE LYS 610 -8.685 0.676 -5.708 201 HZ1 LYS 610 3HZ LYS 610 -9.071 -0.915 -7.507 202 HZ2 LYS 610 1HZ LYS 610 -9.357 -1.586 -5.987 203 HZ3 LYS 610 2HZ LYS 610 -7.951 -1.989 -6.829 204 H LYS 611 H LYS 611 -3.777 -0.070 -11.078 205 HA LYS 611 HA LYS 611 -1.224 1.238 -11.103 206 HB2 LYS 611 2HB LYS 611 -1.704 1.821 -13.454 207 HB3 LYS 611 1HB LYS 611 -1.885 0.105 -13.142 208 HG2 LYS 611 2HG LYS 611 -4.294 0.351 -13.149 209 HG3 LYS 611 1HG LYS 611 -4.132 2.100 -13.379 210 HD2 LYS 611 2HD LYS 611 -2.959 1.701 -15.489 211 HD3 LYS 611 1HD LYS 611 -3.128 -0.035 -15.244 212 HE2 LYS 611 2HE LYS 611 -5.529 0.146 -15.359 213 HE3 LYS 611 1HE LYS 611 -5.420 1.900 -15.495 214 HZ1 LYS 611 3HZ LYS 611 -4.281 1.626 -17.598 215 HZ2 LYS 611 1HZ LYS 611 -5.764 0.828 -17.631 216 HZ3 LYS 611 2HZ LYS 611 -4.358 -0.062 -17.452 217 H ASP 612 H ASP 612 -4.457 2.122 -10.559 218 HA ASP 612 HA ASP 612 -4.103 4.979 -10.934 219 HB2 ASP 612 2HB ASP 612 -6.319 3.461 -9.540 220 HB3 ASP 612 1HB ASP 612 -6.341 5.177 -9.906 221 H ALA 613 H ALA 613 -3.432 2.709 -8.567 222 HA ALA 613 HA ALA 613 -2.636 2.715 -6.469 223 HB1 ALA 613 1HB ALA 613 -1.161 4.530 -7.239 224 HB2 ALA 613 2HB ALA 613 -1.589 4.708 -5.537 225 HB3 ALA 613 3HB ALA 613 -2.376 5.714 -6.755 226 H TYR 614 H TYR 614 -2.998 3.797 -4.220 227 HA TYR 614 HA TYR 614 -5.893 4.087 -3.851 228 HB2 TYR 614 2HB TYR 614 -3.686 3.204 -2.022 229 HB3 TYR 614 1HB TYR 614 -5.312 3.529 -1.443 230 HD1 TYR 614 2HD TYR 614 -3.380 1.519 -3.849 231 HD2 TYR 614 1HD TYR 614 -6.932 1.854 -1.564 232 HE1 TYR 614 2HE TYR 614 -3.986 -0.699 -4.516 233 HE2 TYR 614 1HE TYR 614 -7.582 -0.404 -2.225 234 HH TYR 614 HH TYR 614 -5.398 -2.492 -3.809 235 H LYS 615 H LYS 615 -6.754 5.746 -2.612 236 HA LYS 615 HA LYS 615 -4.884 7.766 -1.780 237 HB2 LYS 615 2HB LYS 615 -6.913 9.194 -1.882 238 HB3 LYS 615 1HB LYS 615 -6.192 8.708 -3.416 239 HG2 LYS 615 2HG LYS 615 -7.900 7.316 -3.941 240 HG3 LYS 615 1HG LYS 615 -8.390 7.076 -2.257 241 HD2 LYS 615 2HD LYS 615 -9.885 8.392 -3.635 242 HD3 LYS 615 1HD LYS 615 -9.314 9.172 -2.145 243 HE2 LYS 615 2HE LYS 615 -7.666 10.366 -3.354 244 HE3 LYS 615 1HE LYS 615 -8.146 9.666 -4.900 245 HZ1 LYS 615 3HZ LYS 615 -10.410 10.759 -4.495 246 HZ2 LYS 615 1HZ LYS 615 -9.154 11.860 -4.753 247 HZ3 LYS 615 2HZ LYS 615 -9.701 11.583 -3.204 248 H VAL 616 H VAL 616 -5.141 8.588 0.056 249 HA VAL 616 HA VAL 616 -7.171 7.592 1.969 250 HB VAL 616 HB VAL 616 -4.352 8.380 2.732 251 HG13 VAL 616 1HG VAL 616 -6.504 6.999 4.298 252 HG21 VAL 616 2HG VAL 616 -3.815 6.008 3.088 253 H GLU 617 H GLU 617 -8.299 9.346 2.589 254 HA GLU 617 HA GLU 617 -6.995 11.912 2.070 255 HB2 GLU 617 2HB GLU 617 -9.915 11.233 1.826 256 HB3 GLU 617 1HB GLU 617 -9.167 12.782 1.451 257 HG2 GLU 617 2HG GLU 617 -7.881 11.771 -0.335 258 HG3 GLU 617 1HG GLU 617 -8.525 10.188 0.073 259 H THR 618 H THR 618 -6.850 13.266 3.640 260 HA THR 618 HA THR 618 -8.628 13.001 5.944 261 HB THR 618 HB THR 618 -6.761 13.921 7.341 262 HG1 THR 618 1HG THR 618 -5.268 13.628 4.944 263 HG21 THR 618 2HG THR 618 -5.967 11.427 5.830 264 H ASP 619 H ASP 619 -8.523 15.331 7.087 265 HA ASP 619 HA ASP 619 -9.352 17.162 5.053 266 HB2 ASP 619 2HB ASP 619 -8.961 17.582 8.028 267 HB3 ASP 619 1HB ASP 619 -9.611 18.798 6.936 268 H LYS 620 H LYS 620 -6.494 16.398 6.583 269 HA LYS 620 HA LYS 620 -5.145 18.923 6.137 270 HB2 LYS 620 2HB LYS 620 -4.081 16.269 7.127 271 HB3 LYS 620 1HB LYS 620 -3.218 17.801 7.136 272 HG2 LYS 620 2HG LYS 620 -4.753 18.712 8.751 273 HG3 LYS 620 1HG LYS 620 -5.770 17.279 8.643 274 HD2 LYS 620 2HD LYS 620 -4.425 17.180 10.660 275 HD3 LYS 620 1HD LYS 620 -3.911 15.918 9.546 276 HE2 LYS 620 2HE LYS 620 -2.018 17.355 8.858 277 HE3 LYS 620 1HE LYS 620 -2.552 18.567 10.022 278 HZ1 LYS 620 3HZ LYS 620 -1.642 15.815 10.668 279 HZ2 LYS 620 1HZ LYS 620 -2.194 16.920 11.803 280 HZ3 LYS 620 2HZ LYS 620 -0.779 17.226 10.948 281 H TYR 621 H TYR 621 -4.606 15.516 5.082 282 HA TYR 621 HA TYR 621 -3.312 16.554 2.625 283 HB2 TYR 621 2HB TYR 621 -2.214 14.268 4.266 284 HB3 TYR 621 1HB TYR 621 -1.490 15.012 2.855 285 HD1 TYR 621 2HD TYR 621 -0.717 17.452 3.116 286 HD2 TYR 621 1HD TYR 621 -1.662 14.957 6.409 287 HE1 TYR 621 2HE TYR 621 0.577 18.925 4.599 288 HE2 TYR 621 1HE TYR 621 -0.375 16.410 7.896 289 HH TYR 621 HH TYR 621 1.422 18.005 7.717 290 H GLU 622 H GLU 622 -3.324 15.076 0.874 291 HA GLU 622 HA GLU 622 -5.055 12.710 1.102 292 HB2 GLU 622 2HB GLU 622 -3.735 14.030 -1.274 293 HB3 GLU 622 1HB GLU 622 -4.674 12.562 -1.346 294 HG2 GLU 622 2HG GLU 622 -6.646 13.843 -0.672 295 HG3 GLU 622 1HG GLU 622 -5.654 15.312 -0.684 296 H PHE 623 H PHE 623 -3.997 10.796 1.269 297 HA PHE 623 HA PHE 623 -1.133 10.833 0.595 298 HB2 PHE 623 2HB PHE 623 -2.607 8.820 2.332 299 HB3 PHE 623 1HB PHE 623 -0.885 8.915 2.054 300 HD1 PHE 623 2HD PHE 623 -3.724 10.515 3.757 301 HD2 PHE 623 1HD PHE 623 0.495 10.465 3.219 302 HE1 PHE 623 2HE PHE 623 -3.464 11.976 5.712 303 HE2 PHE 623 1HE PHE 623 0.762 11.926 5.176 304 HZ PHE 623 HZ PHE 623 -1.216 12.681 6.425 305 H HIS 624 H HIS 624 -0.602 9.749 -1.194 306 HA HIS 624 HA HIS 624 -2.547 7.786 -2.101 307 HB2 HIS 624 2HB HIS 624 -0.746 9.583 -3.743 308 HB3 HIS 624 1HB HIS 624 -1.625 8.219 -4.423 309 HD1 HIS 624 1HD HIS 624 -3.995 8.679 -5.186 310 HD2 HIS 624 2HD HIS 624 -2.576 11.698 -2.674 311 HE1 HIS 624 1HE HIS 624 -5.742 10.438 -5.196 312 HE2 HIS 624 2HE HIS 624 -4.928 12.245 -3.663 313 H ILE 625 H ILE 625 -1.950 5.829 -2.116 314 HA ILE 625 HA ILE 625 0.920 5.153 -1.849 315 HB ILE 625 HB ILE 625 -1.359 3.883 -0.307 316 HG12 ILE 625 1HG ILE 625 0.650 5.922 0.682 317 HG23 ILE 625 2HG ILE 625 0.575 2.426 -0.656 318 HD11 ILE 625 1HD ILE 625 -1.629 4.603 2.122 319 H ASN 626 H ASN 626 1.383 3.045 -2.706 320 HA ASN 626 HA ASN 626 -0.842 1.580 -3.814 321 HB2 ASN 626 2HB ASN 626 0.148 3.103 -5.611 322 HB3 ASN 626 1HB ASN 626 1.637 2.166 -5.446 323 HD21 ASN 626 2HD ASN 626 0.222 0.553 -8.190 324 H VAL 627 H VAL 627 -0.243 -0.634 -4.166 325 HA VAL 627 HA VAL 627 1.277 -1.510 -1.958 326 HB VAL 627 HB VAL 627 0.003 -3.088 -4.197 327 HG13 VAL 627 1HG VAL 627 0.171 -5.066 -2.773 328 HG21 VAL 627 2HG VAL 627 -1.525 -1.785 -2.867 329 H CYS 628 H CYS 628 1.898 -1.237 -5.234 330 HA CYS 628 HA CYS 628 4.697 -1.997 -4.971 331 HB2 CYS 628 2HB CYS 628 2.857 -3.202 -7.035 332 HB3 CYS 628 1HB CYS 628 4.604 -3.325 -7.059 333 H GLY 629 H GLY 629 5.962 -0.831 -6.307 334 HA2 GLY 629 2HA GLY 629 6.593 0.433 -8.116 335 HA3 GLY 629 1HA GLY 629 4.968 0.226 -8.757 336 HA PRO 630 HA PRO 630 5.151 4.513 -7.350 337 HB2 PRO 630 2HB PRO 630 4.208 5.502 -9.782 338 HB3 PRO 630 1HB PRO 630 5.890 5.440 -9.275 339 HG2 PRO 630 2HG PRO 630 4.697 3.960 -11.373 340 HG3 PRO 630 1HG PRO 630 6.326 3.747 -10.718 341 HD2 PRO 630 2HD PRO 630 3.850 2.200 -10.179 342 HD3 PRO 630 1HD PRO 630 5.550 1.685 -10.126 343 H VAL 631 H VAL 631 3.506 6.159 -7.323 344 HA VAL 631 HA VAL 631 0.797 5.053 -7.451 345 HB VAL 631 HB VAL 631 0.105 6.875 -5.932 346 HG13 VAL 631 1HG VAL 631 2.442 5.300 -4.942 347 HG21 VAL 631 2HG VAL 631 1.767 8.574 -6.559 348 H SER 632 H SER 632 -0.698 6.037 -8.728 349 HA SER 632 HA SER 632 0.370 8.062 -10.518 350 HB2 SER 632 2HB SER 632 -1.084 6.129 -11.311 351 HB3 SER 632 1HB SER 632 -2.418 6.871 -10.438 352 HG SER 632 HG SER 632 -1.126 7.624 -12.753 353 H VAL 633 H VAL 633 0.092 10.183 -10.115 354 HA VAL 633 HA VAL 633 -2.255 11.225 -8.729 355 HB VAL 633 HB VAL 633 0.514 11.956 -7.731 356 HG13 VAL 633 1HG VAL 633 -0.651 13.082 -5.901 357 HG21 VAL 633 2HG VAL 633 -1.470 10.184 -6.312 358 H GLY 634 H GLY 634 -2.673 13.300 -9.465 359 HA2 GLY 634 2HA GLY 634 -0.982 14.234 -11.636 360 HA3 GLY 634 1HA GLY 634 -2.562 14.867 -11.188 361 H ALA 635 H ALA 635 0.288 14.393 -9.203 362 HA ALA 635 HA ALA 635 1.102 17.134 -9.114 363 HB1 ALA 635 1HB ALA 635 0.491 17.620 -6.785 364 HB2 ALA 635 2HB ALA 635 -0.353 16.073 -6.683 365 HB3 ALA 635 3HB ALA 635 -0.946 17.333 -7.766 366 H CYS 636 H CYS 636 1.983 14.111 -9.127 367 HA CYS 636 HA CYS 636 4.185 14.467 -7.253 368 HB2 CYS 636 2HB CYS 636 2.493 11.950 -7.449 369 HB3 CYS 636 1HB CYS 636 3.936 12.130 -6.478 370 HA PRO 637 HA PRO 637 6.514 12.907 -10.672 371 HB2 PRO 637 2HB PRO 637 8.464 11.408 -9.466 372 HB3 PRO 637 1HB PRO 637 8.468 13.176 -9.464 373 HG2 PRO 637 2HG PRO 637 7.529 11.288 -7.356 374 HG3 PRO 637 1HG PRO 637 8.526 12.743 -7.173 375 HD2 PRO 637 2HD PRO 637 5.907 12.758 -6.626 376 HD3 PRO 637 1HD PRO 637 6.715 14.156 -7.362 377 HA PRO 638 HA PRO 638 4.713 8.884 -11.537 378 HB2 PRO 638 2HB PRO 638 6.787 8.508 -13.586 379 HB3 PRO 638 1HB PRO 638 5.043 8.672 -13.790 380 HG2 PRO 638 2HG PRO 638 6.720 10.618 -14.542 381 HG3 PRO 638 1HG PRO 638 5.134 10.983 -13.837 382 HD2 PRO 638 2HD PRO 638 7.833 11.028 -12.539 383 HD3 PRO 638 1HD PRO 638 6.494 12.199 -12.435 384 H ASP 639 H ASP 639 7.333 9.142 -9.842 385 HA ASP 639 HA ASP 639 7.973 6.285 -9.901 386 HB2 ASP 639 2HB ASP 639 9.799 7.480 -11.018 387 HB3 ASP 639 1HB ASP 639 9.996 8.519 -9.615 388 H SER 640 H SER 640 6.752 8.792 -8.081 389 HA SER 640 HA SER 640 7.881 7.910 -5.597 390 HB2 SER 640 2HB SER 640 6.122 9.414 -4.591 391 HB3 SER 640 1HB SER 640 7.211 10.239 -5.698 392 HG SER 640 HG SER 640 4.892 9.161 -6.785 393 H GLY 641 H GLY 641 7.127 6.267 -4.378 394 HA2 GLY 641 2HA GLY 641 4.807 4.905 -5.452 395 HA3 GLY 641 1HA GLY 641 6.032 4.175 -4.424 396 H ALA 642 H ALA 642 5.553 7.007 -3.034 397 HA ALA 642 HA ALA 642 2.903 6.706 -1.957 398 HB1 ALA 642 1HB ALA 642 3.716 6.905 0.380 399 HB2 ALA 642 2HB ALA 642 5.376 6.770 -0.202 400 HB3 ALA 642 3HB ALA 642 4.269 5.410 -0.380 401 H CYS 643 H CYS 643 2.066 8.770 -1.968 402 HA CYS 643 HA CYS 643 3.882 11.036 -1.576 403 HB2 CYS 643 2HB CYS 643 3.879 10.574 -4.008 404 HB3 CYS 643 1HB CYS 643 2.140 10.765 -4.029 405 H GLN 644 H GLN 644 2.955 12.769 -0.601 406 HA GLN 644 HA GLN 644 0.064 12.612 -0.206 407 HB2 GLN 644 2HB GLN 644 0.344 13.803 1.950 408 HB3 GLN 644 1HB GLN 644 1.097 12.229 1.957 409 HG2 GLN 644 2HG GLN 644 3.289 13.287 1.697 410 HG3 GLN 644 1HG GLN 644 2.498 14.852 1.562 411 HE21 GLN 644 2HE GLN 644 3.723 14.111 5.076 412 H VAL 645 H VAL 645 -1.104 14.217 -0.724 413 HA VAL 645 HA VAL 645 0.191 16.717 -1.581 414 HB VAL 645 HB VAL 645 -2.472 15.598 -2.533 415 HG13 VAL 645 1HG VAL 645 -0.851 17.939 -3.538 416 HG21 VAL 645 2HG VAL 645 -1.351 15.128 -4.667 417 H SER 646 H SER 646 -0.252 18.352 -0.300 418 HA SER 646 HA SER 646 -2.087 18.019 1.872 419 HB2 SER 646 2HB SER 646 0.097 19.126 2.173 420 HB3 SER 646 1HB SER 646 -0.408 20.380 1.055 421 HG SER 646 HG SER 646 -0.829 20.273 3.664 422 H ARG 647 H ARG 647 -3.966 18.964 2.222 423 HA ARG 647 HA ARG 647 -5.153 20.461 0.011 424 HB2 ARG 647 2HB ARG 647 -6.482 19.154 2.409 425 HB3 ARG 647 1HB ARG 647 -7.312 19.904 1.054 426 HG2 ARG 647 2HG ARG 647 -6.363 18.214 -0.455 427 HG3 ARG 647 1HG ARG 647 -5.566 17.448 0.917 428 HD2 ARG 647 2HD ARG 647 -7.590 16.244 0.367 429 HD3 ARG 647 1HD ARG 647 -7.790 17.044 1.922 430 HE ARG 647 HE ARG 647 -8.856 18.849 0.307 431 HH12 ARG 647 1HH ARG 647 -10.916 15.424 -0.291 432 HH21 ARG 647 2HH ARG 647 -11.918 17.531 -0.737 433 H SER 648 H SER 648 -4.141 20.595 3.337 434 HA SER 648 HA SER 648 -5.392 23.112 3.892 435 HB2 SER 648 2HB SER 648 -3.285 21.581 5.416 436 HB3 SER 648 1HB SER 648 -4.248 22.925 6.032 437 HG SER 648 HG SER 648 -5.618 21.463 6.578 438 H ASP 649 H ASP 649 -2.097 21.989 3.091 439 HA ASP 649 HA ASP 649 -1.148 24.793 3.168 440 HB2 ASP 649 2HB ASP 649 0.453 22.234 3.029 441 HB3 ASP 649 1HB ASP 649 1.110 23.851 3.199 442 H ARG 650 H ARG 650 -2.137 22.402 1.106 443 HA ARG 650 HA ARG 650 -2.033 21.965 -1.132 444 HB2 ARG 650 2HB ARG 650 -1.415 24.916 -1.220 445 HB3 ARG 650 1HB ARG 650 -1.797 23.950 -2.637 446 HG2 ARG 650 2HG ARG 650 -3.609 24.420 -0.277 447 HG3 ARG 650 1HG ARG 650 -3.749 25.184 -1.859 448 HD2 ARG 650 2HD ARG 650 -4.061 22.940 -2.869 449 HD3 ARG 650 1HD ARG 650 -4.007 22.240 -1.256 450 HE ARG 650 HE ARG 650 -5.935 24.248 -1.329 451 HH12 ARG 650 1HH ARG 650 -7.046 20.563 -2.620 452 HH21 ARG 650 2HH ARG 650 -8.671 22.149 -2.059 453 H LYS 651 H LYS 651 0.446 21.740 0.427 454 HA LYS 651 HA LYS 651 2.480 21.970 -1.663 455 HB2 LYS 651 2HB LYS 651 2.705 21.127 1.228 456 HB3 LYS 651 1HB LYS 651 4.050 21.275 0.109 457 HG2 LYS 651 2HG LYS 651 3.654 23.654 -0.080 458 HG3 LYS 651 1HG LYS 651 2.237 23.472 0.956 459 HD2 LYS 651 2HD LYS 651 3.640 22.762 2.812 460 HD3 LYS 651 1HD LYS 651 5.071 22.822 1.783 461 HE2 LYS 651 2HE LYS 651 4.757 25.243 1.517 462 HE3 LYS 651 1HE LYS 651 3.336 25.163 2.556 463 HZ1 LYS 651 3HZ LYS 651 5.295 25.908 3.743 464 HZ2 LYS 651 1HZ LYS 651 6.113 24.482 3.390 465 HZ3 LYS 651 2HZ LYS 651 4.751 24.451 4.378 466 H SER 652 H SER 652 3.950 20.003 -1.688 467 HA SER 652 HA SER 652 2.457 17.536 -1.302 468 HB2 SER 652 2HB SER 652 3.171 16.762 -3.628 469 HB3 SER 652 1HB SER 652 1.915 18.001 -3.576 470 HG SER 652 HG SER 652 4.563 18.149 -4.414 471 H TRP 653 H TRP 653 3.663 15.706 -0.920 472 HA TRP 653 HA TRP 653 6.628 15.846 -0.906 473 HB2 TRP 653 2HB TRP 653 5.020 15.123 1.550 474 HB3 TRP 653 1HB TRP 653 6.758 15.090 1.370 475 HD1 TRP 653 HD TRP 653 8.012 17.490 1.376 476 HE1 TRP 653 1HE TRP 653 7.331 19.707 2.456 477 HE3 TRP 653 3HE TRP 653 3.072 16.540 2.058 478 HZ2 TRP 653 2HZ TRP 653 4.964 20.905 3.470 479 HZ3 TRP 653 3HZ TRP 653 1.668 18.220 3.072 480 HH2 TRP 653 HH TRP 653 2.587 20.390 3.776 481 H ASN 654 H ASN 654 7.616 14.011 -0.607 482 HA ASN 654 HA ASN 654 6.151 11.760 -1.720 483 HB2 ASN 654 2HB ASN 654 8.154 12.872 -2.792 484 HB3 ASN 654 1HB ASN 654 9.089 12.337 -1.413 485 HD21 ASN 654 2HD ASN 654 9.319 10.195 -4.465 486 H LEU 655 H LEU 655 6.030 9.864 -0.448 487 HA LEU 655 HA LEU 655 7.353 10.024 2.190 488 HB2 LEU 655 2HB LEU 655 4.906 8.383 1.572 489 HB3 LEU 655 1HB LEU 655 5.675 8.589 3.119 490 HG LEU 655 HG LEU 655 5.005 11.114 2.704 491 HD13 LEU 655 1HD LEU 655 3.047 9.622 1.103 492 HD21 LEU 655 2HD LEU 655 4.296 9.820 4.599 493 H GLY 656 H GLY 656 7.786 8.711 -0.672 494 HA2 GLY 656 2HA GLY 656 9.671 6.997 0.021 495 HA3 GLY 656 1HA GLY 656 8.215 6.037 0.198 496 H ARG 657 H ARG 657 10.463 5.919 -1.611 497 HA ARG 657 HA ARG 657 9.331 6.590 -4.177 498 HB2 ARG 657 2HB ARG 657 11.658 7.130 -3.654 499 HB3 ARG 657 1HB ARG 657 11.994 5.428 -3.402 500 HG2 ARG 657 2HG ARG 657 11.692 4.953 -5.693 501 HG3 ARG 657 1HG ARG 657 11.055 6.562 -6.018 502 HD2 ARG 657 2HD ARG 657 13.841 5.906 -5.081 503 HD3 ARG 657 1HD ARG 657 13.367 6.442 -6.703 504 HE ARG 657 HE ARG 657 12.434 8.438 -5.360 505 HH12 ARG 657 1HH ARG 657 16.295 8.164 -4.153 506 HH21 ARG 657 2HH ARG 657 15.100 10.180 -3.866 507 H SER 658 H SER 658 9.008 5.035 -5.795 508 HA SER 658 HA SER 658 7.441 2.927 -5.291 509 HB2 SER 658 2HB SER 658 9.384 3.316 -7.443 510 HB3 SER 658 1HB SER 658 8.031 2.166 -7.583 511 HG SER 658 HG SER 658 8.125 4.963 -7.600 512 H ASN 659 H ASN 659 7.724 1.154 -4.201 513 HA ASN 659 HA ASN 659 9.769 -0.682 -4.891 514 HB2 ASN 659 2HB ASN 659 10.622 -1.082 -2.599 515 HB3 ASN 659 1HB ASN 659 10.995 0.532 -3.146 516 HD21 ASN 659 2HD ASN 659 8.041 0.488 -0.314 517 H ALA 660 H ALA 660 9.198 -2.764 -4.428 518 HA ALA 660 HA ALA 660 6.369 -3.037 -3.684 519 HB1 ALA 660 1HB ALA 660 8.146 -4.812 -5.343 520 HB2 ALA 660 2HB ALA 660 6.972 -3.658 -5.973 521 HB3 ALA 660 3HB ALA 660 6.422 -5.052 -5.049 522 H LYS 661 H LYS 661 8.474 -2.856 -1.715 523 HA LYS 661 HA LYS 661 9.186 -5.479 -0.889 524 HB2 LYS 661 2HB LYS 661 9.486 -2.818 0.441 525 HB3 LYS 661 1HB LYS 661 10.068 -4.335 1.112 526 HG2 LYS 661 2HG LYS 661 11.489 -4.639 -0.835 527 HG3 LYS 661 1HG LYS 661 10.921 -3.097 -1.480 528 HD2 LYS 661 2HD LYS 661 11.799 -1.925 0.356 529 HD3 LYS 661 1HD LYS 661 12.248 -3.417 1.197 530 HE2 LYS 661 2HE LYS 661 13.399 -2.376 -1.398 531 HE3 LYS 661 1HE LYS 661 14.217 -2.422 0.161 532 HZ1 LYS 661 3HZ LYS 661 14.930 -4.284 -1.171 533 HZ2 LYS 661 1HZ LYS 661 13.350 -4.756 -1.466 534 HZ3 LYS 661 2HZ LYS 661 13.981 -4.888 0.097 535 H LEU 662 H LEU 662 7.508 -6.726 -0.328 536 HA LEU 662 HA LEU 662 5.775 -5.747 1.779 537 HB2 LEU 662 2HB LEU 662 5.941 -8.461 0.455 538 HB3 LEU 662 1HB LEU 662 4.740 -8.007 1.649 539 HG LEU 662 HG LEU 662 5.009 -7.085 -1.199 540 HD13 LEU 662 1HD LEU 662 4.005 -9.260 -0.877 541 HD21 LEU 662 2HD LEU 662 3.026 -5.713 -0.812 542 H SER 663 H SER 663 6.223 -6.176 3.847 543 HA SER 663 HA SER 663 8.335 -8.108 4.437 544 HB2 SER 663 2HB SER 663 7.479 -5.630 5.942 545 HB3 SER 663 1HB SER 663 8.785 -6.729 6.397 546 HG SER 663 HG SER 663 8.770 -5.587 3.867 547 H TYR 664 H TYR 664 7.846 -9.572 6.059 548 HA TYR 664 HA TYR 664 5.036 -9.570 6.871 549 HB2 TYR 664 2HB TYR 664 6.315 -11.545 5.618 550 HB3 TYR 664 1HB TYR 664 6.910 -11.831 7.227 551 HD1 TYR 664 2HD TYR 664 3.585 -10.910 5.873 552 HD2 TYR 664 1HD TYR 664 5.875 -13.572 8.220 553 HE1 TYR 664 2HE TYR 664 1.583 -12.124 6.321 554 HE2 TYR 664 1HE TYR 664 3.925 -14.890 8.703 555 HH TYR 664 HH TYR 664 1.452 -14.583 8.776 556 H TYR 665 H TYR 665 4.692 -9.070 8.877 557 HA TYR 665 HA TYR 665 6.901 -9.012 10.785 558 HB2 TYR 665 2HB TYR 665 5.304 -7.048 10.423 559 HB3 TYR 665 1HB TYR 665 4.014 -8.059 11.047 560 HD1 TYR 665 1HD TYR 665 7.458 -7.023 12.078 561 HD2 TYR 665 2HD TYR 665 3.412 -7.621 13.228 562 HE1 TYR 665 1HE TYR 665 7.983 -6.219 14.341 563 HE2 TYR 665 2HE TYR 665 3.924 -6.829 15.479 564 HH TYR 665 HH TYR 665 5.844 -6.655 16.930 565 H ASP 666 H ASP 666 4.943 -9.508 13.034 566 HA ASP 666 HA ASP 666 5.132 -12.301 13.321 567 HB2 ASP 666 2HB ASP 666 3.475 -10.246 14.764 568 HB3 ASP 666 1HB ASP 666 3.512 -11.938 15.233 569 H GLY 667 H GLY 667 3.691 -11.737 10.871 570 HA2 GLY 667 2HA GLY 667 2.161 -13.384 10.016 571 HA3 GLY 667 1HA GLY 667 1.158 -13.165 11.419 572 H MET 668 H MET 668 2.155 -10.193 10.666 573 HA MET 668 HA MET 668 -0.091 -9.699 8.834 574 HB2 MET 668 2HB MET 668 1.231 -7.824 10.810 575 HB3 MET 668 1HB MET 668 0.021 -7.332 9.650 576 HG2 MET 668 2HG MET 668 -0.984 -7.563 11.824 577 HG3 MET 668 1HG MET 668 -1.611 -8.805 10.748 578 HE1 MET 668 3HE MET 668 0.856 -8.031 13.722 579 HE2 MET 668 1HE MET 668 1.909 -8.850 12.563 580 HE3 MET 668 2HE MET 668 1.489 -9.636 14.078 581 H ILE 669 H ILE 669 0.313 -8.534 6.979 582 HA ILE 669 HA ILE 669 3.100 -8.389 6.252 583 HB ILE 669 HB ILE 669 0.634 -7.681 4.692 584 HG12 ILE 669 1HG ILE 669 1.391 -9.466 3.161 585 HG23 ILE 669 2HG ILE 669 2.425 -6.268 3.891 586 HD11 ILE 669 1HD ILE 669 0.378 -11.308 4.308 587 H GLN 670 H GLN 670 4.262 -6.656 6.164 588 HA GLN 670 HA GLN 670 2.987 -4.085 6.487 589 HB2 GLN 670 2HB GLN 670 5.468 -5.100 7.762 590 HB3 GLN 670 1HB GLN 670 5.253 -3.371 7.478 591 HG2 GLN 670 2HG GLN 670 3.157 -3.410 8.656 592 HG3 GLN 670 1HG GLN 670 3.336 -5.140 8.930 593 HE21 GLN 670 2HE GLN 670 4.495 -4.077 11.945 594 H LEU 671 H LEU 671 3.306 -2.768 4.952 595 HA LEU 671 HA LEU 671 5.243 -3.472 2.831 596 HB2 LEU 671 2HB LEU 671 2.762 -3.523 2.483 597 HB3 LEU 671 1HB LEU 671 2.743 -1.778 2.635 598 HG LEU 671 HG LEU 671 4.064 -3.417 0.467 599 HD13 LEU 671 1HD LEU 671 1.648 -3.469 0.427 600 HD21 LEU 671 2HD LEU 671 4.239 -1.307 -0.762 601 H THR 672 H THR 672 6.886 -2.136 2.761 602 HA THR 672 HA THR 672 6.592 0.396 4.230 603 HB THR 672 HB THR 672 9.082 -1.307 4.083 604 HG1 THR 672 1HG THR 672 6.932 -1.828 5.314 605 HG21 THR 672 2HG THR 672 9.503 1.096 4.492 606 H TYR 673 H TYR 673 6.794 2.077 2.972 607 HA TYR 673 HA TYR 673 8.571 2.096 0.631 608 HB2 TYR 673 2HB TYR 673 6.282 3.870 1.447 609 HB3 TYR 673 1HB TYR 673 7.498 4.401 0.303 610 HD1 TYR 673 1HD TYR 673 7.755 3.419 -1.790 611 HD2 TYR 673 2HD TYR 673 4.689 2.170 0.834 612 HE1 TYR 673 1HE TYR 673 6.676 2.310 -3.627 613 HE2 TYR 673 2HE TYR 673 3.572 1.041 -1.024 614 HH TYR 673 HH TYR 673 3.516 1.032 -3.369 615 H ARG 674 H ARG 674 10.441 3.165 0.727 616 HA ARG 674 HA ARG 674 10.743 5.238 2.764 617 HB2 ARG 674 2HB ARG 674 12.824 3.143 2.101 618 HB3 ARG 674 1HB ARG 674 13.096 4.534 3.143 619 HG2 ARG 674 2HG ARG 674 11.318 3.671 4.651 620 HG3 ARG 674 1HG ARG 674 11.227 2.230 3.641 621 HD2 ARG 674 2HD ARG 674 13.649 3.217 5.131 622 HD3 ARG 674 1HD ARG 674 12.627 1.865 5.607 623 HE ARG 674 HE ARG 674 13.460 1.231 3.103 624 HH12 ARG 674 1HH ARG 674 16.502 1.157 5.785 625 HH21 ARG 674 2HH ARG 674 16.661 -0.072 3.792 626 H ASP 675 H ASP 675 13.059 6.347 2.249 627 HA ASP 675 HA ASP 675 14.240 7.704 0.919 628 HB2 ASP 675 2HB ASP 675 13.103 6.079 -1.359 629 HB3 ASP 675 1HB ASP 675 14.123 7.484 -1.639 630 H GLY 676 H GLY 676 11.429 8.093 1.764 631 HA2 GLY 676 2HA GLY 676 10.256 9.878 -0.088 632 HA3 GLY 676 1HA GLY 676 9.868 9.698 1.623 633 H THR 677 H THR 677 9.657 12.101 1.169 634 HA THR 677 HA THR 677 12.050 13.617 0.920 635 HB THR 677 HB THR 677 9.307 14.526 1.852 636 HG1 THR 677 1HG THR 677 10.368 13.940 -0.690 637 HG21 THR 677 2HG THR 677 9.984 16.679 0.881 638 HA PRO 678 HA PRO 678 12.903 13.284 5.345 639 HB2 PRO 678 2HB PRO 678 15.230 14.638 5.333 640 HB3 PRO 678 1HB PRO 678 15.123 12.978 4.741 641 HG2 PRO 678 2HG PRO 678 15.202 15.536 3.205 642 HG3 PRO 678 1HG PRO 678 16.000 13.996 2.850 643 HD2 PRO 678 2HD PRO 678 13.696 14.833 1.637 644 HD3 PRO 678 1HD PRO 678 14.131 13.123 1.843 645 H TYR 679 H TYR 679 12.542 14.558 7.034 646 HA TYR 679 HA TYR 679 12.301 17.344 6.429 647 HB2 TYR 679 2HB TYR 679 10.332 17.485 8.006 648 HB3 TYR 679 1HB TYR 679 10.092 16.819 6.408 649 HD1 TYR 679 1HD TYR 679 10.473 15.919 9.966 650 HD2 TYR 679 2HD TYR 679 9.241 14.777 6.141 651 HE1 TYR 679 1HE TYR 679 9.233 14.023 10.969 652 HE2 TYR 679 2HE TYR 679 7.968 12.856 7.065 653 HH TYR 679 HH TYR 679 7.409 12.628 10.416 654 H ASN 680 H ASN 680 11.624 18.481 8.719 655 HA ASN 680 HA ASN 680 13.975 19.166 9.870 656 HB2 ASN 680 2HB ASN 680 11.817 20.370 10.135 657 HB3 ASN 680 1HB ASN 680 11.287 19.152 11.274 658 HD21 ASN 680 2HD ASN 680 12.606 22.226 12.976 659 H ASN 681 H ASN 681 15.399 17.809 10.593 660 HA ASN 681 HA ASN 681 15.250 16.631 13.121 661 HB2 ASN 681 2HB ASN 681 13.947 14.856 11.982 662 HB3 ASN 681 1HB ASN 681 15.172 14.723 10.739 663 HD21 ASN 681 2HD ASN 681 15.317 12.085 13.516 664 H GLU 682 H GLU 682 17.316 16.271 13.826 665 HA GLU 682 HA GLU 682 19.340 17.695 12.530 666 HB2 GLU 682 2HB GLU 682 19.607 15.678 14.748 667 HB3 GLU 682 1HB GLU 682 20.858 16.806 14.257 668 HG2 GLU 682 2HG GLU 682 18.175 17.495 15.445 669 HG3 GLU 682 1HG GLU 682 19.744 17.627 16.231 670 H LYS 683 H LYS 683 18.558 14.309 12.312 671 HA LYS 683 HA LYS 683 21.040 13.758 10.816 672 HB2 LYS 683 2HB LYS 683 18.780 11.910 11.576 673 HB3 LYS 683 1HB LYS 683 20.266 11.413 10.792 674 HG2 LYS 683 2HG LYS 683 21.519 12.114 12.805 675 HG3 LYS 683 1HG LYS 683 19.988 12.524 13.583 676 HD2 LYS 683 2HD LYS 683 20.802 9.778 12.594 677 HD3 LYS 683 1HD LYS 683 20.750 10.295 14.279 678 HE2 LYS 683 2HE LYS 683 18.310 10.656 14.065 679 HE3 LYS 683 1HE LYS 683 18.394 10.116 12.395 680 HZ1 LYS 683 3HZ LYS 683 17.643 8.365 13.851 681 HZ2 LYS 683 1HZ LYS 683 19.058 8.430 14.761 682 HZ3 LYS 683 2HZ LYS 683 19.085 7.934 13.142 683 H ARG 684 H ARG 684 17.979 14.836 10.285 684 HA ARG 684 HA ARG 684 16.407 14.822 8.714 685 HB2 ARG 684 2HB ARG 684 18.756 14.652 6.833 686 HB3 ARG 684 1HB ARG 684 17.113 14.925 6.289 687 HG2 ARG 684 2HG ARG 684 18.060 17.047 6.330 688 HG3 ARG 684 1HG ARG 684 17.151 16.922 7.843 689 HD2 ARG 684 2HD ARG 684 19.331 17.944 8.206 690 HD3 ARG 684 1HD ARG 684 19.210 16.390 9.043 691 HE ARG 684 HE ARG 684 20.279 15.932 6.527 692 HH12 ARG 684 1HH ARG 684 22.922 17.326 9.249 693 HH21 ARG 684 2HH ARG 684 23.678 16.287 7.290 694 H THR 685 H THR 685 15.278 13.182 9.138 695 HA THR 685 HA THR 685 16.004 10.640 7.966 696 HB THR 685 HB THR 685 15.376 10.552 10.315 697 HG1 THR 685 1HG THR 685 13.073 9.392 9.308 698 HG21 THR 685 2HG THR 685 13.928 12.504 10.439 699 HA PRO 686 HA PRO 686 13.231 11.530 4.565 700 HB2 PRO 686 2HB PRO 686 13.515 8.688 3.902 701 HB3 PRO 686 1HB PRO 686 13.976 10.123 2.973 702 HG2 PRO 686 2HG PRO 686 15.810 8.487 4.118 703 HG3 PRO 686 1HG PRO 686 16.064 10.228 3.919 704 HD2 PRO 686 2HD PRO 686 15.281 8.710 6.381 705 HD3 PRO 686 1HD PRO 686 16.372 10.103 6.177 706 H ARG 687 H ARG 687 11.116 11.543 4.608 707 HA ARG 687 HA ARG 687 9.509 10.239 6.415 708 HB2 ARG 687 2HB ARG 687 8.926 12.279 5.249 709 HB3 ARG 687 1HB ARG 687 8.954 11.446 3.716 710 HG2 ARG 687 2HG ARG 687 7.032 10.160 4.353 711 HG3 ARG 687 1HG ARG 687 7.033 10.934 5.943 712 HD2 ARG 687 2HD ARG 687 6.771 12.459 3.341 713 HD3 ARG 687 1HD ARG 687 5.419 11.903 4.328 714 HE ARG 687 HE ARG 687 6.132 13.314 6.077 715 HH12 ARG 687 1HH ARG 687 7.983 15.671 3.385 716 HH21 ARG 687 2HH ARG 687 7.146 16.589 5.334 717 H ALA 688 H ALA 688 8.367 8.342 6.354 718 HA ALA 688 HA ALA 688 8.701 6.605 4.018 719 HB1 ALA 688 1HB ALA 688 10.388 6.007 5.687 720 HB2 ALA 688 2HB ALA 688 9.186 4.727 5.505 721 HB3 ALA 688 3HB ALA 688 9.124 5.805 6.897 722 H THR 689 H THR 689 7.183 4.824 4.012 723 HA THR 689 HA THR 689 4.689 5.325 5.513 724 HB THR 689 HB THR 689 4.945 4.545 2.599 725 HG1 THR 689 1HG THR 689 5.330 6.753 3.347 726 HG21 THR 689 2HG THR 689 2.510 4.771 2.514 727 H LEU 690 H LEU 690 3.956 3.475 6.563 728 HA LEU 690 HA LEU 690 4.754 0.977 5.428 729 HB2 LEU 690 2HB LEU 690 6.289 1.324 7.217 730 HB3 LEU 690 1HB LEU 690 5.023 1.863 8.289 731 HG LEU 690 HG LEU 690 4.943 -0.974 7.326 732 HD13 LEU 690 1HD LEU 690 7.251 -0.589 8.030 733 HD21 LEU 690 2HD LEU 690 4.271 0.390 9.918 734 H ILE 691 H ILE 691 3.062 -0.085 4.929 735 HA ILE 691 HA ILE 691 0.475 0.501 6.166 736 HB ILE 691 HB ILE 691 1.075 -1.362 3.843 737 HG12 ILE 691 1HG ILE 691 -0.110 0.322 2.429 738 HG23 ILE 691 2HG ILE 691 -1.557 -0.355 4.837 739 HD11 ILE 691 1HD ILE 691 2.508 1.243 3.562 740 H THR 692 H THR 692 -0.495 -0.915 7.511 741 HA THR 692 HA THR 692 0.811 -3.502 7.893 742 HB THR 692 HB THR 692 -1.011 -1.953 9.765 743 HG1 THR 692 1HG THR 692 1.638 -1.844 9.225 744 HG21 THR 692 2HG THR 692 -0.301 -3.617 11.440 745 H PHE 693 H PHE 693 -0.270 -5.118 6.946 746 HA PHE 693 HA PHE 693 -3.054 -4.774 6.195 747 HB2 PHE 693 2HB PHE 693 -1.054 -6.948 5.544 748 HB3 PHE 693 1HB PHE 693 -2.729 -6.989 5.036 749 HD1 PHE 693 1HD PHE 693 0.407 -5.054 4.711 750 HD2 PHE 693 2HD PHE 693 -3.418 -5.892 3.094 751 HE1 PHE 693 1HE PHE 693 0.953 -3.727 2.684 752 HE2 PHE 693 2HE PHE 693 -2.870 -4.598 1.085 753 HZ PHE 693 HZ PHE 693 -0.674 -3.517 0.883 754 H LEU 694 H LEU 694 -4.536 -5.281 7.545 755 HA LEU 694 HA LEU 694 -4.218 -7.587 9.333 756 HB2 LEU 694 2HB LEU 694 -6.166 -5.273 9.401 757 HB3 LEU 694 1HB LEU 694 -6.252 -6.633 10.493 758 HG LEU 694 HG LEU 694 -5.353 -4.833 11.695 759 HD13 LEU 694 1HD LEU 694 -3.128 -5.556 12.336 760 HD21 LEU 694 2HD LEU 694 -4.717 -3.367 9.870 761 H CYS 695 H CYS 695 -6.183 -8.970 9.478 762 HA CYS 695 HA CYS 695 -7.344 -9.095 6.791 763 HB2 CYS 695 2HB CYS 695 -5.934 -11.024 7.533 764 HB3 CYS 695 1HB CYS 695 -7.103 -11.331 8.803 765 H ASP 696 H ASP 696 -8.221 -7.719 9.415 766 HA ASP 696 HA ASP 696 -10.744 -8.795 10.088 767 HB2 ASP 696 2HB ASP 696 -9.730 -5.944 10.265 768 HB3 ASP 696 1HB ASP 696 -11.307 -6.441 10.840 769 H ARG 697 H ARG 697 -12.746 -8.459 9.307 770 HA ARG 697 HA ARG 697 -14.442 -7.947 7.950 771 HB2 ARG 697 2HB ARG 697 -13.756 -5.626 7.931 772 HB3 ARG 697 1HB ARG 697 -12.566 -5.952 6.677 773 HG2 ARG 697 2HG ARG 697 -14.462 -6.568 5.173 774 HG3 ARG 697 1HG ARG 697 -15.561 -6.022 6.446 775 HD2 ARG 697 2HD ARG 697 -15.195 -4.256 4.804 776 HD3 ARG 697 1HD ARG 697 -14.537 -3.807 6.379 777 HE ARG 697 HE ARG 697 -12.377 -4.772 5.344 778 HH12 ARG 697 1HH ARG 697 -13.713 -2.120 2.569 779 HH21 ARG 697 2HH ARG 697 -11.430 -2.722 2.643 780 H ASP 698 H ASP 698 -15.245 -9.130 6.400 781 HA ASP 698 HA ASP 698 -13.394 -10.479 4.587 782 HB2 ASP 698 2HB ASP 698 -14.749 -11.947 6.022 783 HB3 ASP 698 1HB ASP 698 -16.219 -11.236 5.370 784 H ALA 699 H ALA 699 -13.521 -10.292 2.485 785 HA ALA 699 HA ALA 699 -14.155 -9.847 0.404 786 HB1 ALA 699 1HB ALA 699 -16.883 -8.992 1.382 787 HB2 ALA 699 2HB ALA 699 -16.457 -10.642 0.949 788 HB3 ALA 699 3HB ALA 699 -16.432 -9.375 -0.279 789 H GLY 700 H GLY 700 -12.633 -8.379 0.249 790 HA2 GLY 700 2HA GLY 700 -13.262 -5.915 -0.689 791 HA3 GLY 700 1HA GLY 700 -12.976 -5.680 1.034 792 H VAL 701 H VAL 701 -11.423 -4.827 -1.341 793 HA VAL 701 HA VAL 701 -9.014 -6.395 -1.309 794 HB VAL 701 HB VAL 701 -9.412 -3.588 -2.369 795 HG13 VAL 701 1HG VAL 701 -7.065 -4.212 -2.139 796 HG21 VAL 701 2HG VAL 701 -11.027 -5.057 -3.395 797 H GLY 702 H GLY 702 -10.249 -3.666 0.359 798 HA2 GLY 702 2HA GLY 702 -9.401 -3.215 2.551 799 HA3 GLY 702 1HA GLY 702 -7.797 -3.601 1.952 800 H PHE 703 H PHE 703 -9.110 -1.219 3.198 801 HA PHE 703 HA PHE 703 -8.239 0.737 1.205 802 HB2 PHE 703 2HB PHE 703 -10.654 0.921 1.677 803 HB3 PHE 703 1HB PHE 703 -10.321 1.027 3.399 804 HD1 PHE 703 2HD PHE 703 -9.820 2.754 0.171 805 HD2 PHE 703 1HD PHE 703 -9.907 3.106 4.401 806 HE1 PHE 703 2HE PHE 703 -9.709 5.202 -0.033 807 HE2 PHE 703 1HE PHE 703 -9.786 5.555 4.207 808 HZ PHE 703 HZ PHE 703 -9.685 6.603 1.975 809 HA PRO 704 HA PRO 704 -5.201 1.400 4.418 810 HB2 PRO 704 2HB PRO 704 -3.825 3.397 3.168 811 HB3 PRO 704 1HB PRO 704 -3.605 1.691 2.777 812 HG2 PRO 704 2HG PRO 704 -5.108 3.791 1.302 813 HG3 PRO 704 1HG PRO 704 -4.220 2.398 0.678 814 HD2 PRO 704 2HD PRO 704 -6.970 2.547 0.930 815 HD3 PRO 704 1HD PRO 704 -6.039 1.042 0.816 816 H GLU 705 H GLU 705 -5.265 2.675 6.144 817 HA GLU 705 HA GLU 705 -6.489 5.318 5.900 818 HB2 GLU 705 2HB GLU 705 -6.914 3.241 8.004 819 HB3 GLU 705 1HB GLU 705 -7.462 4.914 8.200 820 HG2 GLU 705 2HG GLU 705 -8.792 4.589 6.097 821 HG3 GLU 705 1HG GLU 705 -8.347 2.887 6.156 822 H TYR 706 H TYR 706 -5.807 6.853 7.382 823 HA TYR 706 HA TYR 706 -2.965 6.614 7.965 824 HB2 TYR 706 2HB TYR 706 -3.892 8.494 6.661 825 HB3 TYR 706 1HB TYR 706 -4.880 8.945 8.034 826 HD1 TYR 706 1HD TYR 706 -1.266 8.179 7.469 827 HD2 TYR 706 2HD TYR 706 -4.154 10.860 9.059 828 HE1 TYR 706 1HE TYR 706 0.525 9.694 8.150 829 HE2 TYR 706 2HE TYR 706 -2.359 12.392 9.748 830 HH TYR 706 HH TYR 706 0.800 12.053 8.605 831 H GLN 707 H GLN 707 -2.362 5.959 10.006 832 HA GLN 707 HA GLN 707 -4.326 6.093 12.083 833 HB2 GLN 707 2HB GLN 707 -2.874 4.696 13.451 834 HB3 GLN 707 1HB GLN 707 -2.554 4.178 11.818 835 HG2 GLN 707 2HG GLN 707 -0.541 4.167 12.877 836 HG3 GLN 707 1HG GLN 707 -0.510 5.664 11.916 837 HE21 GLN 707 2HE GLN 707 0.736 7.079 14.860 838 H GLU 708 H GLU 708 -1.216 7.641 11.490 839 HA GLU 708 HA GLU 708 -1.746 10.195 12.205 840 HB2 GLU 708 2HB GLU 708 -2.205 9.292 14.529 841 HB3 GLU 708 1HB GLU 708 -0.577 8.654 14.566 842 HG2 GLU 708 2HG GLU 708 0.331 10.902 14.502 843 HG3 GLU 708 1HG GLU 708 -1.293 11.578 14.386 844 H GLU 709 H GLU 709 0.418 11.345 12.588 845 HA GLU 709 HA GLU 709 2.451 10.116 10.934 846 HB2 GLU 709 2HB GLU 709 1.742 12.469 10.619 847 HB3 GLU 709 1HB GLU 709 2.296 12.842 12.240 848 HG2 GLU 709 2HG GLU 709 4.578 12.285 11.569 849 HG3 GLU 709 1HG GLU 709 4.009 11.940 9.938 850 H ASP 710 H ASP 710 4.139 9.053 11.823 851 HA ASP 710 HA ASP 710 4.626 9.273 14.698 852 HB2 ASP 710 2HB ASP 710 4.392 7.010 13.545 853 HB3 ASP 710 1HB ASP 710 5.871 7.364 12.668 854 H ASN 711 H ASN 711 7.504 8.530 14.411 855 HA ASN 711 HA ASN 711 8.654 11.110 14.441 856 HB2 ASN 711 2HB ASN 711 10.025 8.430 14.040 857 HB3 ASN 711 1HB ASN 711 10.843 9.939 14.386 858 HD21 ASN 711 2HD ASN 711 9.016 7.829 17.329 859 H SER 712 H SER 712 8.339 8.731 11.919 860 HA SER 712 HA SER 712 8.365 10.613 9.867 861 HB2 SER 712 2HB SER 712 10.463 9.896 8.637 862 HB3 SER 712 1HB SER 712 10.705 10.889 10.060 863 HG SER 712 HG SER 712 10.770 8.665 11.114 864 H THR 713 H THR 713 8.098 7.409 10.924 865 HA THR 713 HA THR 713 7.473 6.434 8.281 866 HB THR 713 HB THR 713 7.359 5.043 10.973 867 HG1 THR 713 1HG THR 713 9.438 5.857 9.568 868 HG21 THR 713 2HG THR 713 7.411 3.935 8.152 869 H TYR 714 H TYR 714 5.484 6.768 7.542 870 HA TYR 714 HA TYR 714 3.313 7.410 9.344 871 HB2 TYR 714 2HB TYR 714 3.507 7.329 6.312 872 HB3 TYR 714 1HB TYR 714 2.045 7.755 7.186 873 HD1 TYR 714 1HD TYR 714 5.557 8.811 7.914 874 HD2 TYR 714 2HD TYR 714 1.707 10.030 6.569 875 HE1 TYR 714 1HE TYR 714 6.278 11.144 7.971 876 HE2 TYR 714 2HE TYR 714 2.429 12.371 6.643 877 HH TYR 714 HH TYR 714 4.227 13.675 7.934 878 H ASN 715 H ASN 715 2.127 5.844 10.191 879 HA ASN 715 HA ASN 715 2.154 3.174 9.025 880 HB2 ASN 715 2HB ASN 715 2.263 3.569 11.603 881 HB3 ASN 715 1HB ASN 715 0.642 4.121 11.407 882 HD21 ASN 715 2HD ASN 715 0.834 0.210 10.351 883 H PHE 716 H PHE 716 0.613 2.413 7.820 884 HA PHE 716 HA PHE 716 -1.958 3.749 7.868 885 HB2 PHE 716 2HB PHE 716 -0.438 2.592 5.579 886 HB3 PHE 716 1HB PHE 716 -2.171 2.840 5.434 887 HD1 PHE 716 2HD PHE 716 1.104 4.447 5.771 888 HD2 PHE 716 1HD PHE 716 -3.073 5.100 5.347 889 HE1 PHE 716 2HE PHE 716 1.528 6.816 5.233 890 HE2 PHE 716 1HE PHE 716 -2.653 7.466 4.817 891 HZ PHE 716 HZ PHE 716 -0.346 8.322 4.759 892 H ARG 717 H ARG 717 -3.674 2.705 8.186 893 HA ARG 717 HA ARG 717 -3.482 -0.064 9.112 894 HB2 ARG 717 2HB ARG 717 -4.492 1.871 10.449 895 HB3 ARG 717 1HB ARG 717 -5.786 1.895 9.271 896 HG2 ARG 717 2HG ARG 717 -6.558 0.725 11.192 897 HG3 ARG 717 1HG ARG 717 -6.303 -0.467 9.917 898 HD2 ARG 717 2HD ARG 717 -4.153 -1.080 10.889 899 HD3 ARG 717 1HD ARG 717 -4.344 0.153 12.130 900 HE ARG 717 HE ARG 717 -6.561 -1.524 12.251 901 HH12 ARG 717 1HH ARG 717 -3.200 -2.966 14.013 902 HH21 ARG 717 2HH ARG 717 -5.248 -3.910 14.505 903 H TRP 718 H TRP 718 -4.074 -1.590 7.665 904 HA TRP 718 HA TRP 718 -6.039 -0.943 5.545 905 HB2 TRP 718 2HB TRP 718 -3.639 -1.037 4.785 906 HB3 TRP 718 1HB TRP 718 -3.567 -2.696 5.329 907 HD1 TRP 718 HD TRP 718 -6.022 -4.002 3.978 908 HE1 TRP 718 1HE TRP 718 -6.206 -4.153 1.387 909 HE3 TRP 718 3HE TRP 718 -2.762 -0.222 2.602 910 HZ2 TRP 718 2HZ TRP 718 -5.161 -2.928 -0.845 911 HZ3 TRP 718 3HZ TRP 718 -2.443 0.185 0.227 912 HH2 TRP 718 HH TRP 718 -3.602 -1.128 -1.465 913 H TYR 719 H TYR 719 -7.818 -2.276 5.768 914 HA TYR 719 HA TYR 719 -7.421 -4.896 7.063 915 HB2 TYR 719 2HB TYR 719 -9.996 -3.331 6.724 916 HB3 TYR 719 1HB TYR 719 -9.846 -4.896 7.505 917 HD1 TYR 719 2HD TYR 719 -8.142 -4.957 9.499 918 HD2 TYR 719 1HD TYR 719 -9.976 -1.445 8.016 919 HE1 TYR 719 2HE TYR 719 -7.734 -3.848 11.653 920 HE2 TYR 719 1HE TYR 719 -9.573 -0.313 10.154 921 HH TYR 719 HH TYR 719 -9.188 -0.886 12.478 922 H THR 720 H THR 720 -7.170 -6.470 5.592 923 HA THR 720 HA THR 720 -9.044 -6.529 3.381 924 HB THR 720 HB THR 720 -7.012 -5.597 2.443 925 HG1 THR 720 1HG THR 720 -7.471 -6.712 0.829 926 HG21 THR 720 2HG THR 720 -5.649 -8.088 3.440 927 H SER 721 H SER 721 -9.699 -8.513 2.746 928 HA SER 721 HA SER 721 -9.561 -10.646 4.579 929 HB2 SER 721 2HB SER 721 -10.473 -10.617 1.709 930 HB3 SER 721 1HB SER 721 -10.937 -11.781 2.955 931 HG SER 721 HG SER 721 -11.570 -9.649 4.096 932 H TYR 722 H TYR 722 -7.650 -9.723 1.872 933 HA TYR 722 HA TYR 722 -6.631 -12.234 1.087 934 HB2 TYR 722 2HB TYR 722 -5.513 -9.459 0.676 935 HB3 TYR 722 1HB TYR 722 -4.876 -10.910 -0.085 936 HD1 TYR 722 1HD TYR 722 -7.676 -8.540 -0.013 937 HD2 TYR 722 2HD TYR 722 -6.065 -11.985 -1.879 938 HE1 TYR 722 1HE TYR 722 -9.278 -8.280 -1.857 939 HE2 TYR 722 2HE TYR 722 -7.653 -11.739 -3.725 940 HH TYR 722 HH TYR 722 -9.899 -10.686 -4.079 941 H ALA 723 H ALA 723 -6.043 -10.500 3.905 942 HA ALA 723 HA ALA 723 -3.260 -11.265 4.166 943 HB1 ALA 723 1HB ALA 723 -5.061 -9.843 6.123 944 HB2 ALA 723 2HB ALA 723 -3.979 -9.076 4.969 945 HB3 ALA 723 3HB ALA 723 -3.317 -10.049 6.284 946 H CYS 724 H CYS 724 -5.870 -13.065 4.365 947 HA CYS 724 HA CYS 724 -4.986 -14.531 6.742 948 HB2 CYS 724 2HB CYS 724 -7.604 -14.636 5.241 949 HB3 CYS 724 1HB CYS 724 -7.140 -15.873 6.398 950 HA PRO 725 HA PRO 725 -3.033 -17.465 3.976 951 HB2 PRO 725 2HB PRO 725 -3.064 -19.206 6.366 952 HB3 PRO 725 1HB PRO 725 -1.689 -18.650 5.413 953 HG2 PRO 725 2HG PRO 725 -2.155 -17.695 7.868 954 HG3 PRO 725 1HG PRO 725 -1.505 -16.668 6.580 955 HD2 PRO 725 2HD PRO 725 -4.289 -16.823 7.662 956 HD3 PRO 725 1HD PRO 725 -3.331 -15.411 7.153 Start of MODEL 15 1 H1 GLU 578 1HT GLU 578 12.023 2.646 22.497 2 H2 GLU 578 2HT GLU 578 10.807 1.730 21.764 3 H3 GLU 578 3HT GLU 578 11.692 2.865 20.865 4 HA GLU 578 HA GLU 578 13.679 1.708 21.064 5 HB2 GLU 578 2HB GLU 578 12.104 -0.305 22.699 6 HB3 GLU 578 1HB GLU 578 13.693 -0.628 22.038 7 HG2 GLU 578 2HG GLU 578 13.918 -0.080 24.354 8 HG3 GLU 578 1HG GLU 578 14.585 1.243 23.409 9 H ALA 579 H ALA 579 10.561 0.004 20.739 10 HA ALA 579 HA ALA 579 9.580 -1.092 19.109 11 HB1 ALA 579 1HB ALA 579 10.151 -0.702 16.763 12 HB2 ALA 579 2HB ALA 579 11.671 0.050 17.244 13 HB3 ALA 579 3HB ALA 579 10.140 0.824 17.652 14 H GLU 580 H GLU 580 9.580 -3.197 18.963 15 HA GLU 580 HA GLU 580 12.037 -4.627 19.318 16 HB2 GLU 580 2HB GLU 580 9.250 -5.679 18.810 17 HB3 GLU 580 1HB GLU 580 10.639 -6.653 19.264 18 HG2 GLU 580 2HG GLU 580 10.785 -5.396 21.380 19 HG3 GLU 580 1HG GLU 580 9.329 -4.515 20.921 20 H ALA 581 H ALA 581 13.332 -4.493 17.632 21 HA ALA 581 HA ALA 581 12.520 -5.855 15.212 22 HB1 ALA 581 1HB ALA 581 12.010 -3.489 14.786 23 HB2 ALA 581 2HB ALA 581 13.308 -4.088 13.753 24 HB3 ALA 581 3HB ALA 581 13.687 -3.073 15.147 25 H GLU 582 H GLU 582 13.977 -7.462 15.566 26 HA GLU 582 HA GLU 582 16.812 -6.683 15.727 27 HB2 GLU 582 2HB GLU 582 15.485 -9.290 16.537 28 HB3 GLU 582 1HB GLU 582 17.193 -8.911 16.682 29 HG2 GLU 582 2HG GLU 582 16.689 -7.162 18.286 30 HG3 GLU 582 1HG GLU 582 14.969 -7.495 18.123 31 H PHE 583 H PHE 583 14.911 -6.899 13.511 32 HA PHE 583 HA PHE 583 14.846 -7.416 11.351 33 HB2 PHE 583 2HB PHE 583 17.258 -7.026 11.214 34 HB3 PHE 583 1HB PHE 583 17.576 -8.666 11.767 35 HD1 PHE 583 1HD PHE 583 16.072 -6.712 9.000 36 HD2 PHE 583 2HD PHE 583 17.720 -10.442 10.227 37 HE1 PHE 583 1HE PHE 583 16.056 -7.486 6.666 38 HE2 PHE 583 2HE PHE 583 17.703 -11.220 7.898 39 HZ PHE 583 HZ PHE 583 16.869 -9.744 6.114 40 H LEU 584 H LEU 584 16.304 -10.259 12.860 41 HA LEU 584 HA LEU 584 14.891 -12.077 11.201 42 HB2 LEU 584 2HB LEU 584 17.092 -12.502 12.444 43 HB3 LEU 584 1HB LEU 584 16.131 -12.679 13.890 44 HG LEU 584 HG LEU 584 15.978 -14.493 11.468 45 HD13 LEU 584 1HD LEU 584 17.111 -16.122 12.880 46 HD21 LEU 584 2HD LEU 584 14.713 -16.015 12.923 47 H SER 585 H SER 585 12.830 -11.860 11.221 48 HA SER 585 HA SER 585 11.041 -13.070 12.814 49 HB2 SER 585 2HB SER 585 11.599 -11.384 14.625 50 HB3 SER 585 1HB SER 585 11.134 -10.098 13.515 51 HG SER 585 HG SER 585 9.000 -11.295 13.466 52 H ARG 586 H ARG 586 11.762 -10.015 11.207 53 HA ARG 586 HA ARG 586 9.287 -10.290 9.701 54 HB2 ARG 586 2HB ARG 586 9.588 -8.208 10.975 55 HB3 ARG 586 1HB ARG 586 11.050 -7.859 10.074 56 HG2 ARG 586 2HG ARG 586 9.792 -7.689 8.021 57 HG3 ARG 586 1HG ARG 586 8.312 -8.154 8.850 58 HD2 ARG 586 2HD ARG 586 8.276 -5.776 8.566 59 HD3 ARG 586 1HD ARG 586 8.544 -6.114 10.265 60 HE ARG 586 HE ARG 586 11.019 -5.783 8.986 61 HH12 ARG 586 1HH ARG 586 9.003 -2.441 10.185 62 HH21 ARG 586 2HH ARG 586 11.359 -2.322 9.645 63 H THR 587 H THR 587 9.541 -11.241 7.899 64 HA THR 587 HA THR 587 12.085 -11.120 6.491 65 HB THR 587 HB THR 587 9.651 -12.822 5.896 66 HG1 THR 587 1HG THR 587 10.242 -14.117 7.379 67 HG21 THR 587 2HG THR 587 11.285 -14.259 4.770 68 H GLU 588 H GLU 588 12.204 -10.047 4.532 69 HA GLU 588 HA GLU 588 9.697 -8.897 3.577 70 HB2 GLU 588 2HB GLU 588 11.061 -7.185 2.459 71 HB3 GLU 588 1HB GLU 588 11.248 -7.179 4.201 72 HG2 GLU 588 2HG GLU 588 13.362 -8.377 3.972 73 HG3 GLU 588 1HG GLU 588 13.168 -8.360 2.217 74 H GLY 589 H GLY 589 9.270 -8.836 1.416 75 HA2 GLY 589 2HA GLY 589 10.835 -10.713 -0.220 76 HA3 GLY 589 1HA GLY 589 9.072 -10.683 -0.249 77 H ASP 590 H ASP 590 10.152 -10.356 -2.563 78 HA ASP 590 HA ASP 590 9.974 -7.464 -3.060 79 HB2 ASP 590 2HB ASP 590 12.318 -8.036 -3.312 80 HB3 ASP 590 1HB ASP 590 11.918 -9.378 -4.378 81 H ASN 591 H ASN 591 8.918 -6.826 -4.793 82 HA ASN 591 HA ASN 591 7.492 -6.753 -6.501 83 HB2 ASN 591 2HB ASN 591 9.091 -8.093 -7.800 84 HB3 ASN 591 1HB ASN 591 8.402 -9.571 -7.145 85 HD21 ASN 591 2HD ASN 591 6.604 -9.714 -10.126 86 H CYS 592 H CYS 592 6.066 -6.633 -4.635 87 HA CYS 592 HA CYS 592 3.986 -6.866 -3.820 88 HB2 CYS 592 2HB CYS 592 3.653 -8.404 -6.368 89 HB3 CYS 592 1HB CYS 592 2.301 -7.954 -5.315 90 H THR 593 H THR 593 6.034 -9.010 -3.102 91 HA THR 593 HA THR 593 4.115 -10.894 -2.131 92 HB THR 593 HB THR 593 5.644 -12.820 -2.841 93 HG1 THR 593 1HG THR 593 6.617 -10.762 -4.525 94 HG21 THR 593 2HG THR 593 4.207 -11.317 -5.037 95 H VAL 594 H VAL 594 4.976 -12.258 -0.505 96 HA VAL 594 HA VAL 594 7.614 -11.811 0.475 97 HB VAL 594 HB VAL 594 6.596 -9.982 1.650 98 HG13 VAL 594 1HG VAL 594 4.593 -10.247 3.082 99 HG21 VAL 594 2HG VAL 594 6.864 -10.654 3.982 100 H PHE 595 H PHE 595 8.414 -13.608 1.314 101 HA PHE 595 HA PHE 595 6.529 -15.612 2.219 102 HB2 PHE 595 2HB PHE 595 7.752 -17.376 0.994 103 HB3 PHE 595 1HB PHE 595 7.019 -16.210 -0.092 104 HD1 PHE 595 1HD PHE 595 8.433 -14.625 -1.339 105 HD2 PHE 595 2HD PHE 595 10.129 -17.651 1.129 106 HE1 PHE 595 1HE PHE 595 10.614 -14.309 -2.441 107 HE2 PHE 595 2HE PHE 595 12.295 -17.336 0.036 108 HZ PHE 595 HZ PHE 595 12.545 -15.663 -1.753 109 H ASP 596 H ASP 596 7.230 -16.866 3.830 110 HA ASP 596 HA ASP 596 9.943 -16.369 5.015 111 HB2 ASP 596 2HB ASP 596 7.410 -17.599 6.169 112 HB3 ASP 596 1HB ASP 596 8.867 -17.492 7.090 113 H SER 597 H SER 597 11.290 -17.725 4.238 114 HA SER 597 HA SER 597 10.578 -20.189 3.074 115 HB2 SER 597 2HB SER 597 13.277 -19.255 4.051 116 HB3 SER 597 1HB SER 597 12.973 -20.550 2.884 117 HG SER 597 HG SER 597 13.015 -19.059 1.451 118 H GLN 598 H GLN 598 11.210 -19.190 6.253 119 HA GLN 598 HA GLN 598 12.173 -21.598 7.384 120 HB2 GLN 598 2HB GLN 598 10.596 -19.455 8.819 121 HB3 GLN 598 1HB GLN 598 11.683 -20.620 9.533 122 HG2 GLN 598 2HG GLN 598 12.837 -18.581 9.604 123 HG3 GLN 598 1HG GLN 598 13.549 -19.435 8.245 124 HE21 GLN 598 2HE GLN 598 12.587 -16.987 5.902 125 H ALA 599 H ALA 599 8.996 -20.134 7.062 126 HA ALA 599 HA ALA 599 7.728 -22.473 8.245 127 HB1 ALA 599 1HB ALA 599 7.098 -20.272 9.072 128 HB2 ALA 599 2HB ALA 599 5.724 -21.092 8.324 129 HB3 ALA 599 3HB ALA 599 6.577 -19.811 7.453 130 H GLY 600 H GLY 600 8.592 -21.380 5.196 131 HA2 GLY 600 2HA GLY 600 7.949 -21.947 3.050 132 HA3 GLY 600 1HA GLY 600 7.047 -23.286 3.769 133 H PHE 601 H PHE 601 6.733 -19.844 4.275 134 HA PHE 601 HA PHE 601 3.845 -20.061 3.713 135 HB2 PHE 601 2HB PHE 601 4.523 -19.669 6.061 136 HB3 PHE 601 1HB PHE 601 5.383 -18.233 5.546 137 HD1 PHE 601 1HD PHE 601 2.144 -19.753 6.138 138 HD2 PHE 601 2HD PHE 601 4.187 -16.176 4.995 139 HE1 PHE 601 1HE PHE 601 0.098 -18.463 6.502 140 HE2 PHE 601 2HE PHE 601 2.149 -14.915 5.365 141 HZ PHE 601 HZ PHE 601 0.103 -16.039 6.112 142 H SER 602 H SER 602 2.957 -18.473 2.294 143 HA SER 602 HA SER 602 4.693 -16.293 1.531 144 HB2 SER 602 2HB SER 602 4.238 -16.738 -0.877 145 HB3 SER 602 1HB SER 602 5.234 -17.963 -0.097 146 HG SER 602 HG SER 602 3.047 -18.331 -1.441 147 H PHE 603 H PHE 603 3.676 -14.448 0.890 148 HA PHE 603 HA PHE 603 0.786 -14.501 0.427 149 HB2 PHE 603 2HB PHE 603 2.317 -12.599 2.160 150 HB3 PHE 603 1HB PHE 603 0.953 -11.997 1.243 151 HD1 PHE 603 2HD PHE 603 -1.079 -13.950 1.484 152 HD2 PHE 603 1HD PHE 603 1.816 -12.782 4.366 153 HE1 PHE 603 2HE PHE 603 -2.608 -14.620 3.278 154 HE2 PHE 603 1HE PHE 603 0.286 -13.442 6.166 155 HZ PHE 603 HZ PHE 603 -1.930 -14.358 5.626 156 H ASP 604 H ASP 604 0.080 -13.347 -1.257 157 HA ASP 604 HA ASP 604 1.981 -11.582 -2.590 158 HB2 ASP 604 2HB ASP 604 1.185 -12.273 -4.788 159 HB3 ASP 604 1HB ASP 604 1.707 -13.705 -3.920 160 H LEU 605 H LEU 605 1.225 -9.623 -2.935 161 HA LEU 605 HA LEU 605 -1.647 -9.203 -2.426 162 HB2 LEU 605 2HB LEU 605 0.659 -7.361 -1.798 163 HB3 LEU 605 1HB LEU 605 -1.030 -6.961 -1.573 164 HG LEU 605 HG LEU 605 0.496 -9.104 -0.087 165 HD13 LEU 605 1HD LEU 605 1.110 -6.864 0.597 166 HD21 LEU 605 2HD LEU 605 -2.372 -8.197 0.213 167 H THR 606 H THR 606 0.015 -9.645 -4.913 168 HA THR 606 HA THR 606 0.317 -7.459 -6.460 169 HB THR 606 HB THR 606 -0.691 -10.116 -7.470 170 HG1 THR 606 1HG THR 606 1.260 -10.923 -7.041 171 HG21 THR 606 2HG THR 606 -0.320 -8.310 -9.101 172 HA PRO 607 HA PRO 607 -4.439 -7.945 -7.945 173 HB2 PRO 607 2HB PRO 607 -5.576 -8.794 -5.326 174 HB3 PRO 607 1HB PRO 607 -6.080 -9.235 -6.961 175 HG2 PRO 607 2HG PRO 607 -4.770 -10.982 -5.484 176 HG3 PRO 607 1HG PRO 607 -4.379 -10.802 -7.203 177 HD2 PRO 607 2HD PRO 607 -2.910 -9.752 -4.814 178 HD3 PRO 607 1HD PRO 607 -2.268 -10.496 -6.293 179 H LEU 608 H LEU 608 -3.213 -6.850 -4.819 180 HA LEU 608 HA LEU 608 -5.237 -4.848 -4.567 181 HB2 LEU 608 2HB LEU 608 -2.726 -5.394 -2.998 182 HB3 LEU 608 1HB LEU 608 -3.800 -4.048 -2.687 183 HG LEU 608 HG LEU 608 -5.576 -5.755 -2.112 184 HD13 LEU 608 1HD LEU 608 -4.824 -7.963 -1.501 185 HD21 LEU 608 2HD LEU 608 -3.050 -5.775 -0.486 186 H THR 609 H THR 609 -2.088 -5.148 -5.989 187 HA THR 609 HA THR 609 -1.318 -2.441 -5.905 188 HB THR 609 HB THR 609 -0.528 -4.595 -7.890 189 HG1 THR 609 1HG THR 609 1.298 -4.741 -6.253 190 HG21 THR 609 2HG THR 609 0.170 -2.304 -8.532 191 H LYS 610 H LYS 610 -1.979 -0.740 -7.166 192 HA LYS 610 HA LYS 610 -3.513 -1.344 -9.607 193 HB2 LYS 610 2HB LYS 610 -3.835 1.021 -7.777 194 HB3 LYS 610 1HB LYS 610 -4.694 0.783 -9.265 195 HG2 LYS 610 2HG LYS 610 -5.724 -1.316 -8.288 196 HG3 LYS 610 1HG LYS 610 -4.964 -0.841 -6.767 197 HD2 LYS 610 2HD LYS 610 -6.207 1.188 -6.663 198 HD3 LYS 610 1HD LYS 610 -6.851 0.941 -8.283 199 HE2 LYS 610 2HE LYS 610 -7.391 -0.818 -5.892 200 HE3 LYS 610 1HE LYS 610 -8.493 0.414 -6.510 201 HZ1 LYS 610 3HZ LYS 610 -8.622 -0.866 -8.597 202 HZ2 LYS 610 1HZ LYS 610 -9.114 -1.786 -7.274 203 HZ3 LYS 610 2HZ LYS 610 -7.607 -2.047 -7.930 204 H LYS 611 H LYS 611 -3.176 0.157 -11.353 205 HA LYS 611 HA LYS 611 -0.555 1.310 -11.333 206 HB2 LYS 611 2HB LYS 611 -0.988 2.035 -13.617 207 HB3 LYS 611 1HB LYS 611 -1.486 0.366 -13.420 208 HG2 LYS 611 2HG LYS 611 -3.783 0.991 -13.359 209 HG3 LYS 611 1HG LYS 611 -3.367 2.713 -13.340 210 HD2 LYS 611 2HD LYS 611 -2.303 2.411 -15.536 211 HD3 LYS 611 1HD LYS 611 -2.855 0.734 -15.543 212 HE2 LYS 611 2HE LYS 611 -5.163 1.487 -15.423 213 HE3 LYS 611 1HE LYS 611 -4.628 3.165 -15.368 214 HZ1 LYS 611 3HZ LYS 611 -3.647 2.874 -17.551 215 HZ2 LYS 611 1HZ LYS 611 -5.297 2.601 -17.592 216 HZ3 LYS 611 2HZ LYS 611 -4.227 1.293 -17.648 217 H ASP 612 H ASP 612 -3.820 2.428 -10.907 218 HA ASP 612 HA ASP 612 -3.118 5.239 -11.115 219 HB2 ASP 612 2HB ASP 612 -5.273 4.437 -12.001 220 HB3 ASP 612 1HB ASP 612 -5.736 3.892 -10.400 221 H ALA 613 H ALA 613 -3.146 2.868 -8.832 222 HA ALA 613 HA ALA 613 -2.620 2.721 -6.657 223 HB1 ALA 613 1HB ALA 613 -0.909 4.400 -7.171 224 HB2 ALA 613 2HB ALA 613 -1.513 4.555 -5.519 225 HB3 ALA 613 3HB ALA 613 -2.051 5.681 -6.764 226 H TYR 614 H TYR 614 -3.049 3.834 -4.490 227 HA TYR 614 HA TYR 614 -5.962 4.197 -4.262 228 HB2 TYR 614 2HB TYR 614 -3.881 3.280 -2.305 229 HB3 TYR 614 1HB TYR 614 -5.538 3.609 -1.831 230 HD1 TYR 614 2HD TYR 614 -3.484 1.599 -4.156 231 HD2 TYR 614 1HD TYR 614 -7.133 1.923 -2.027 232 HE1 TYR 614 2HE TYR 614 -4.054 -0.636 -4.839 233 HE2 TYR 614 1HE TYR 614 -7.732 -0.354 -2.700 234 HH TYR 614 HH TYR 614 -5.447 -2.409 -4.205 235 H LYS 615 H LYS 615 -6.834 5.788 -2.924 236 HA LYS 615 HA LYS 615 -4.951 7.804 -2.079 237 HB2 LYS 615 2HB LYS 615 -6.570 9.556 -2.736 238 HB3 LYS 615 1HB LYS 615 -5.939 8.641 -4.082 239 HG2 LYS 615 2HG LYS 615 -8.112 8.683 -4.713 240 HG3 LYS 615 1HG LYS 615 -8.143 7.250 -3.688 241 HD2 LYS 615 2HD LYS 615 -10.077 8.712 -3.238 242 HD3 LYS 615 1HD LYS 615 -9.034 8.539 -1.825 243 HE2 LYS 615 2HE LYS 615 -8.115 10.706 -2.133 244 HE3 LYS 615 1HE LYS 615 -8.824 10.860 -3.742 245 HZ1 LYS 615 3HZ LYS 615 -10.949 11.039 -2.813 246 HZ2 LYS 615 1HZ LYS 615 -10.003 12.122 -1.979 247 HZ3 LYS 615 2HZ LYS 615 -10.501 10.654 -1.264 248 H VAL 616 H VAL 616 -5.093 8.377 -0.084 249 HA VAL 616 HA VAL 616 -7.380 7.459 1.536 250 HB VAL 616 HB VAL 616 -4.580 8.200 2.441 251 HG13 VAL 616 1HG VAL 616 -6.794 6.776 3.895 252 HG21 VAL 616 2HG VAL 616 -5.696 5.443 1.972 253 H GLU 617 H GLU 617 -8.345 9.044 2.793 254 HA GLU 617 HA GLU 617 -7.314 11.723 2.333 255 HB2 GLU 617 2HB GLU 617 -9.615 12.536 1.970 256 HB3 GLU 617 1HB GLU 617 -9.049 11.426 0.733 257 HG2 GLU 617 2HG GLU 617 -10.301 9.611 1.945 258 HG3 GLU 617 1HG GLU 617 -11.010 10.883 2.942 259 H THR 618 H THR 618 -7.199 12.995 3.908 260 HA THR 618 HA THR 618 -8.789 12.600 6.280 261 HB THR 618 HB THR 618 -6.779 11.809 7.151 262 HG1 THR 618 1HG THR 618 -7.132 13.372 8.535 263 HG21 THR 618 2HG THR 618 -4.530 12.634 6.630 264 H ASP 619 H ASP 619 -8.594 14.795 7.600 265 HA ASP 619 HA ASP 619 -9.670 16.695 5.789 266 HB2 ASP 619 2HB ASP 619 -10.121 18.127 7.678 267 HB3 ASP 619 1HB ASP 619 -10.456 16.475 8.162 268 H LYS 620 H LYS 620 -6.517 16.176 7.028 269 HA LYS 620 HA LYS 620 -5.706 18.858 6.187 270 HB2 LYS 620 2HB LYS 620 -3.875 16.736 7.335 271 HB3 LYS 620 1HB LYS 620 -3.447 18.390 6.991 272 HG2 LYS 620 2HG LYS 620 -3.718 18.388 9.288 273 HG3 LYS 620 1HG LYS 620 -5.271 18.991 8.720 274 HD2 LYS 620 2HD LYS 620 -5.664 17.393 10.445 275 HD3 LYS 620 1HD LYS 620 -6.159 16.664 8.919 276 HE2 LYS 620 2HE LYS 620 -4.938 15.041 10.265 277 HE3 LYS 620 1HE LYS 620 -3.994 15.437 8.840 278 HZ1 LYS 620 3HZ LYS 620 -2.556 15.419 10.799 279 HZ2 LYS 620 1HZ LYS 620 -3.561 16.441 11.608 280 HZ3 LYS 620 2HZ LYS 620 -2.694 17.019 10.288 281 H TYR 621 H TYR 621 -5.062 15.480 5.264 282 HA TYR 621 HA TYR 621 -3.792 16.528 2.791 283 HB2 TYR 621 2HB TYR 621 -2.737 14.115 4.267 284 HB3 TYR 621 1HB TYR 621 -2.014 14.957 2.915 285 HD1 TYR 621 2HD TYR 621 -0.937 17.207 3.335 286 HD2 TYR 621 1HD TYR 621 -2.348 14.720 6.477 287 HE1 TYR 621 2HE TYR 621 0.431 18.474 4.947 288 HE2 TYR 621 1HE TYR 621 -1.015 15.938 8.087 289 HH TYR 621 HH TYR 621 0.947 17.380 8.137 290 H GLU 622 H GLU 622 -3.506 14.748 1.207 291 HA GLU 622 HA GLU 622 -5.187 12.436 1.661 292 HB2 GLU 622 2HB GLU 622 -5.687 12.377 -0.776 293 HB3 GLU 622 1HB GLU 622 -6.389 13.778 0.014 294 HG2 GLU 622 2HG GLU 622 -4.653 15.185 -0.890 295 HG3 GLU 622 1HG GLU 622 -3.846 13.765 -1.564 296 H PHE 623 H PHE 623 -4.170 10.613 1.286 297 HA PHE 623 HA PHE 623 -1.359 10.868 0.448 298 HB2 PHE 623 2HB PHE 623 -2.639 8.837 2.285 299 HB3 PHE 623 1HB PHE 623 -0.965 8.799 1.759 300 HD1 PHE 623 2HD PHE 623 -3.438 10.723 3.725 301 HD2 PHE 623 1HD PHE 623 0.671 10.097 2.836 302 HE1 PHE 623 2HE PHE 623 -2.811 12.127 5.638 303 HE2 PHE 623 1HE PHE 623 1.299 11.503 4.758 304 HZ PHE 623 HZ PHE 623 -0.442 12.517 6.155 305 H HIS 624 H HIS 624 -0.693 9.755 -1.244 306 HA HIS 624 HA HIS 624 -2.596 7.851 -2.361 307 HB2 HIS 624 2HB HIS 624 -0.401 9.437 -3.716 308 HB3 HIS 624 1HB HIS 624 -1.369 8.202 -4.513 309 HD1 HIS 624 1HD HIS 624 -3.675 8.876 -5.333 310 HD2 HIS 624 2HD HIS 624 -1.864 11.828 -3.034 311 HE1 HIS 624 1HE HIS 624 -5.106 10.923 -5.596 312 HE2 HIS 624 2HE HIS 624 -4.170 12.571 -4.000 313 H ILE 625 H ILE 625 -2.105 5.840 -2.227 314 HA ILE 625 HA ILE 625 0.686 5.057 -1.661 315 HB ILE 625 HB ILE 625 -1.791 3.894 -0.348 316 HG12 ILE 625 1HG ILE 625 0.248 5.813 0.813 317 HG23 ILE 625 2HG ILE 625 0.063 2.313 -0.543 318 HD11 ILE 625 1HD ILE 625 -1.120 5.824 2.799 319 H ASN 626 H ASN 626 1.210 2.980 -2.483 320 HA ASN 626 HA ASN 626 -0.889 1.510 -3.815 321 HB2 ASN 626 2HB ASN 626 0.272 3.054 -5.490 322 HB3 ASN 626 1HB ASN 626 1.737 2.114 -5.176 323 HD21 ASN 626 2HD ASN 626 0.656 0.480 -8.042 324 H VAL 627 H VAL 627 -0.255 -0.716 -4.106 325 HA VAL 627 HA VAL 627 1.032 -1.609 -1.761 326 HB VAL 627 HB VAL 627 0.084 -3.223 -4.130 327 HG13 VAL 627 1HG VAL 627 1.671 -4.498 -2.759 328 HG21 VAL 627 2HG VAL 627 -1.229 -2.532 -1.519 329 H CYS 628 H CYS 628 2.037 -1.275 -4.969 330 HA CYS 628 HA CYS 628 4.755 -2.066 -4.308 331 HB2 CYS 628 2HB CYS 628 3.294 -3.148 -6.710 332 HB3 CYS 628 1HB CYS 628 4.979 -3.418 -6.307 333 H GLY 629 H GLY 629 6.156 -0.849 -5.384 334 HA2 GLY 629 2HA GLY 629 7.056 0.349 -7.138 335 HA3 GLY 629 1HA GLY 629 5.530 0.129 -7.986 336 HA PRO 630 HA PRO 630 5.403 4.414 -6.718 337 HB2 PRO 630 2HB PRO 630 4.823 5.386 -9.176 338 HB3 PRO 630 1HB PRO 630 6.456 5.055 -8.606 339 HG2 PRO 630 2HG PRO 630 4.979 3.683 -10.687 340 HG3 PRO 630 1HG PRO 630 6.654 3.445 -10.179 341 HD2 PRO 630 2HD PRO 630 4.247 1.918 -9.453 342 HD3 PRO 630 1HD PRO 630 5.963 1.459 -9.369 343 H VAL 631 H VAL 631 3.782 6.052 -6.960 344 HA VAL 631 HA VAL 631 1.075 4.996 -7.355 345 HB VAL 631 HB VAL 631 0.280 6.903 -5.985 346 HG13 VAL 631 1HG VAL 631 2.417 5.263 -4.678 347 HG21 VAL 631 2HG VAL 631 1.866 8.292 -4.713 348 H SER 632 H SER 632 -0.212 5.954 -8.861 349 HA SER 632 HA SER 632 1.158 8.013 -10.443 350 HB2 SER 632 2HB SER 632 -1.387 6.506 -11.065 351 HB3 SER 632 1HB SER 632 -0.567 7.627 -12.152 352 HG SER 632 HG SER 632 -0.099 5.042 -11.687 353 H VAL 633 H VAL 633 0.683 10.071 -10.287 354 HA VAL 633 HA VAL 633 -1.960 11.064 -9.561 355 HB VAL 633 HB VAL 633 0.452 12.035 -7.987 356 HG13 VAL 633 1HG VAL 633 -2.475 12.424 -7.462 357 HG21 VAL 633 2HG VAL 633 -0.322 10.817 -5.994 358 H GLY 634 H GLY 634 -2.049 13.391 -10.137 359 HA2 GLY 634 2HA GLY 634 -0.276 14.045 -12.293 360 HA3 GLY 634 1HA GLY 634 -1.571 15.052 -11.661 361 H ALA 635 H ALA 635 -0.133 14.497 -8.950 362 HA ALA 635 HA ALA 635 1.771 16.732 -9.210 363 HB1 ALA 635 1HB ALA 635 1.231 17.290 -6.904 364 HB2 ALA 635 2HB ALA 635 0.124 15.919 -6.826 365 HB3 ALA 635 3HB ALA 635 -0.219 17.267 -7.911 366 H CYS 636 H CYS 636 2.005 13.559 -9.129 367 HA CYS 636 HA CYS 636 4.271 13.596 -7.275 368 HB2 CYS 636 2HB CYS 636 2.257 11.335 -7.430 369 HB3 CYS 636 1HB CYS 636 3.677 11.397 -6.402 370 HA PRO 637 HA PRO 637 6.247 11.744 -10.758 371 HB2 PRO 637 2HB PRO 637 8.517 10.861 -9.618 372 HB3 PRO 637 1HB PRO 637 8.194 12.586 -9.804 373 HG2 PRO 637 2HG PRO 637 7.896 10.864 -7.382 374 HG3 PRO 637 1HG PRO 637 8.552 12.506 -7.525 375 HD2 PRO 637 2HD PRO 637 6.015 11.945 -6.679 376 HD3 PRO 637 1HD PRO 637 6.480 13.468 -7.457 377 HA PRO 638 HA PRO 638 5.208 7.380 -10.576 378 HB2 PRO 638 2HB PRO 638 6.384 6.558 -12.843 379 HB3 PRO 638 1HB PRO 638 4.933 7.569 -12.860 380 HG2 PRO 638 2HG PRO 638 7.800 8.363 -13.213 381 HG3 PRO 638 1HG PRO 638 6.375 8.854 -14.151 382 HD2 PRO 638 2HD PRO 638 7.450 10.415 -12.212 383 HD3 PRO 638 1HD PRO 638 5.712 10.399 -12.572 384 H ASP 639 H ASP 639 7.709 8.371 -9.282 385 HA ASP 639 HA ASP 639 9.087 5.786 -9.235 386 HB2 ASP 639 2HB ASP 639 10.487 7.457 -10.454 387 HB3 ASP 639 1HB ASP 639 10.466 8.485 -9.030 388 H SER 640 H SER 640 7.200 7.882 -7.611 389 HA SER 640 HA SER 640 8.341 7.143 -5.024 390 HB2 SER 640 2HB SER 640 6.856 8.941 -4.108 391 HB3 SER 640 1HB SER 640 8.072 9.545 -5.234 392 HG SER 640 HG SER 640 5.680 8.841 -6.418 393 H GLY 641 H GLY 641 7.189 5.777 -3.728 394 HA2 GLY 641 2HA GLY 641 4.693 4.756 -4.881 395 HA3 GLY 641 1HA GLY 641 5.702 3.874 -3.755 396 H ALA 642 H ALA 642 5.670 6.823 -2.523 397 HA ALA 642 HA ALA 642 2.973 6.769 -1.434 398 HB1 ALA 642 1HB ALA 642 3.839 7.177 0.836 399 HB2 ALA 642 2HB ALA 642 5.486 6.976 0.240 400 HB3 ALA 642 3HB ALA 642 4.372 5.611 0.223 401 H CYS 643 H CYS 643 2.148 8.745 -1.653 402 HA CYS 643 HA CYS 643 3.892 11.073 -1.455 403 HB2 CYS 643 2HB CYS 643 3.929 10.436 -3.832 404 HB3 CYS 643 1HB CYS 643 2.182 10.486 -3.878 405 H GLN 644 H GLN 644 2.859 12.830 -0.585 406 HA GLN 644 HA GLN 644 -0.017 12.485 -0.157 407 HB2 GLN 644 2HB GLN 644 0.158 13.714 1.947 408 HB3 GLN 644 1HB GLN 644 1.162 12.276 1.989 409 HG2 GLN 644 2HG GLN 644 3.156 13.684 1.613 410 HG3 GLN 644 1HG GLN 644 2.077 15.067 1.474 411 HE21 GLN 644 2HE GLN 644 3.561 14.686 4.971 412 H VAL 645 H VAL 645 -1.309 14.087 -0.555 413 HA VAL 645 HA VAL 645 -0.147 16.593 -1.523 414 HB VAL 645 HB VAL 645 -2.770 15.281 -2.342 415 HG13 VAL 645 1HG VAL 645 -1.431 17.754 -3.400 416 HG21 VAL 645 2HG VAL 645 -0.846 14.085 -3.271 417 H SER 646 H SER 646 -0.612 18.208 -0.180 418 HA SER 646 HA SER 646 -2.412 17.759 1.972 419 HB2 SER 646 2HB SER 646 -0.366 19.058 2.345 420 HB3 SER 646 1HB SER 646 -0.909 20.256 1.171 421 HG SER 646 HG SER 646 -1.630 19.940 3.806 422 H ARG 647 H ARG 647 -4.324 18.674 2.355 423 HA ARG 647 HA ARG 647 -5.717 19.759 0.031 424 HB2 ARG 647 2HB ARG 647 -6.805 18.687 2.647 425 HB3 ARG 647 1HB ARG 647 -7.763 19.145 1.245 426 HG2 ARG 647 2HG ARG 647 -6.769 17.339 -0.048 427 HG3 ARG 647 1HG ARG 647 -5.746 16.907 1.316 428 HD2 ARG 647 2HD ARG 647 -7.612 15.390 1.241 429 HD3 ARG 647 1HD ARG 647 -7.791 16.437 2.642 430 HE ARG 647 HE ARG 647 -9.170 17.432 0.356 431 HH12 ARG 647 1HH ARG 647 -11.137 15.052 2.990 432 HH21 ARG 647 2HH ARG 647 -12.315 16.183 1.353 433 H SER 648 H SER 648 -4.968 20.347 3.441 434 HA SER 648 HA SER 648 -6.325 22.873 3.441 435 HB2 SER 648 2HB SER 648 -4.571 21.560 5.512 436 HB3 SER 648 1HB SER 648 -5.492 23.044 5.763 437 HG SER 648 HG SER 648 -6.905 21.659 6.420 438 H ASP 649 H ASP 649 -2.918 21.805 3.322 439 HA ASP 649 HA ASP 649 -2.115 24.627 3.161 440 HB2 ASP 649 2HB ASP 649 -1.014 23.220 4.875 441 HB3 ASP 649 1HB ASP 649 -0.458 22.135 3.616 442 H ARG 650 H ARG 650 -2.766 22.014 1.326 443 HA ARG 650 HA ARG 650 -2.551 21.350 -0.778 444 HB2 ARG 650 2HB ARG 650 -2.430 24.309 -1.165 445 HB3 ARG 650 1HB ARG 650 -2.710 23.136 -2.452 446 HG2 ARG 650 2HG ARG 650 -4.687 22.324 -1.325 447 HG3 ARG 650 1HG ARG 650 -4.414 23.460 -0.002 448 HD2 ARG 650 2HD ARG 650 -4.609 25.280 -1.518 449 HD3 ARG 650 1HD ARG 650 -4.891 24.170 -2.871 450 HE ARG 650 HE ARG 650 -6.723 23.742 -0.746 451 HH12 ARG 650 1HH ARG 650 -7.716 26.342 -3.693 452 HH21 ARG 650 2HH ARG 650 -9.379 25.549 -2.182 453 H LYS 651 H LYS 651 0.107 21.645 0.594 454 HA LYS 651 HA LYS 651 1.784 21.807 -1.790 455 HB2 LYS 651 2HB LYS 651 2.481 21.289 1.100 456 HB3 LYS 651 1HB LYS 651 3.647 21.271 -0.210 457 HG2 LYS 651 2HG LYS 651 3.255 23.588 -0.653 458 HG3 LYS 651 1HG LYS 651 1.948 23.602 0.540 459 HD2 LYS 651 2HD LYS 651 3.542 23.064 2.306 460 HD3 LYS 651 1HD LYS 651 4.849 22.997 1.124 461 HE2 LYS 651 2HE LYS 651 4.610 25.344 0.664 462 HE3 LYS 651 1HE LYS 651 3.182 25.438 1.695 463 HZ1 LYS 651 3HZ LYS 651 5.200 26.246 2.816 464 HZ2 LYS 651 1HZ LYS 651 5.906 24.721 2.666 465 HZ3 LYS 651 2HZ LYS 651 4.512 24.936 3.588 466 H SER 652 H SER 652 3.372 19.983 -2.018 467 HA SER 652 HA SER 652 2.134 17.444 -1.296 468 HB2 SER 652 2HB SER 652 2.765 16.593 -3.605 469 HB3 SER 652 1HB SER 652 1.435 17.752 -3.554 470 HG SER 652 HG SER 652 2.555 19.071 -4.666 471 H TRP 653 H TRP 653 3.492 15.732 -0.923 472 HA TRP 653 HA TRP 653 6.458 16.046 -1.055 473 HB2 TRP 653 2HB TRP 653 5.020 15.319 1.510 474 HB3 TRP 653 1HB TRP 653 6.729 15.486 1.233 475 HD1 TRP 653 HD TRP 653 7.705 18.026 1.133 476 HE1 TRP 653 1HE TRP 653 6.848 20.175 2.228 477 HE3 TRP 653 3HE TRP 653 2.933 16.561 2.093 478 HZ2 TRP 653 2HZ TRP 653 4.369 21.137 3.378 479 HZ3 TRP 653 3HZ TRP 653 1.396 18.114 3.169 480 HH2 TRP 653 HH TRP 653 2.106 20.366 3.801 481 H ASN 654 H ASN 654 7.544 14.303 -0.770 482 HA ASN 654 HA ASN 654 6.207 11.891 -1.686 483 HB2 ASN 654 2HB ASN 654 8.094 12.983 -2.874 484 HB3 ASN 654 1HB ASN 654 9.083 12.737 -1.455 485 HD21 ASN 654 2HD ASN 654 9.563 10.273 -4.182 486 H LEU 655 H LEU 655 6.227 10.049 -0.343 487 HA LEU 655 HA LEU 655 7.575 10.414 2.248 488 HB2 LEU 655 2HB LEU 655 5.081 8.756 1.876 489 HB3 LEU 655 1HB LEU 655 5.915 9.180 3.355 490 HG LEU 655 HG LEU 655 5.282 11.589 2.731 491 HD13 LEU 655 1HD LEU 655 3.205 11.746 1.754 492 HD21 LEU 655 2HD LEU 655 3.206 11.386 3.895 493 H GLY 656 H GLY 656 8.096 8.946 -0.470 494 HA2 GLY 656 2HA GLY 656 9.882 7.236 0.417 495 HA3 GLY 656 1HA GLY 656 8.418 6.294 0.562 496 H ARG 657 H ARG 657 10.853 6.236 -1.111 497 HA ARG 657 HA ARG 657 9.964 6.736 -3.775 498 HB2 ARG 657 2HB ARG 657 12.313 7.064 -2.989 499 HB3 ARG 657 1HB ARG 657 12.450 5.324 -2.801 500 HG2 ARG 657 2HG ARG 657 12.109 5.015 -5.166 501 HG3 ARG 657 1HG ARG 657 11.880 6.753 -5.372 502 HD2 ARG 657 2HD ARG 657 14.136 7.128 -4.537 503 HD3 ARG 657 1HD ARG 657 14.371 5.381 -4.408 504 HE ARG 657 HE ARG 657 13.520 6.291 -6.977 505 HH12 ARG 657 1HH ARG 657 17.438 5.510 -6.197 506 HH21 ARG 657 2HH ARG 657 16.653 5.629 -8.455 507 H SER 658 H SER 658 9.710 5.052 -5.376 508 HA SER 658 HA SER 658 7.975 3.072 -4.567 509 HB2 SER 658 2HB SER 658 8.185 2.278 -6.890 510 HB3 SER 658 1HB SER 658 7.832 3.988 -6.714 511 HG SER 658 HG SER 658 9.515 3.517 -8.279 512 H ASN 659 H ASN 659 8.051 0.928 -4.342 513 HA ASN 659 HA ASN 659 10.159 -0.737 -5.111 514 HB2 ASN 659 2HB ASN 659 11.155 -1.392 -3.036 515 HB3 ASN 659 1HB ASN 659 11.171 0.360 -2.998 516 HD21 ASN 659 2HD ASN 659 9.031 0.522 -0.221 517 H ALA 660 H ALA 660 9.688 -3.000 -4.085 518 HA ALA 660 HA ALA 660 6.792 -3.208 -3.633 519 HB1 ALA 660 1HB ALA 660 8.444 -5.000 -5.420 520 HB2 ALA 660 2HB ALA 660 7.329 -3.748 -5.966 521 HB3 ALA 660 3HB ALA 660 6.711 -5.142 -5.100 522 H LYS 661 H LYS 661 9.051 -3.222 -1.776 523 HA LYS 661 HA LYS 661 9.365 -5.950 -0.941 524 HB2 LYS 661 2HB LYS 661 10.488 -3.350 0.013 525 HB3 LYS 661 1HB LYS 661 10.475 -4.721 1.100 526 HG2 LYS 661 2HG LYS 661 12.624 -4.468 -0.002 527 HG3 LYS 661 1HG LYS 661 11.856 -5.979 -0.452 528 HD2 LYS 661 2HD LYS 661 11.211 -5.024 -2.594 529 HD3 LYS 661 1HD LYS 661 11.914 -3.469 -2.126 530 HE2 LYS 661 2HE LYS 661 14.099 -4.498 -1.911 531 HE3 LYS 661 1HE LYS 661 13.422 -6.068 -2.314 532 HZ1 LYS 661 3HZ LYS 661 13.381 -3.735 -4.140 533 HZ2 LYS 661 1HZ LYS 661 12.904 -5.305 -4.488 534 HZ3 LYS 661 2HZ LYS 661 14.545 -4.938 -4.207 535 H LEU 662 H LEU 662 7.742 -6.862 -0.069 536 HA LEU 662 HA LEU 662 6.123 -5.422 1.877 537 HB2 LEU 662 2HB LEU 662 5.933 -8.227 0.741 538 HB3 LEU 662 1HB LEU 662 4.785 -7.570 1.912 539 HG LEU 662 HG LEU 662 5.229 -6.778 -0.960 540 HD13 LEU 662 1HD LEU 662 2.960 -7.635 -1.247 541 HD21 LEU 662 2HD LEU 662 3.305 -5.326 -0.688 542 H SER 663 H SER 663 6.513 -5.760 4.044 543 HA SER 663 HA SER 663 8.474 -7.821 4.739 544 HB2 SER 663 2HB SER 663 7.869 -5.174 6.064 545 HB3 SER 663 1HB SER 663 9.067 -6.342 6.619 546 HG SER 663 HG SER 663 9.076 -5.231 4.028 547 H TYR 664 H TYR 664 7.723 -9.424 5.952 548 HA TYR 664 HA TYR 664 5.091 -9.072 7.224 549 HB2 TYR 664 2HB TYR 664 5.350 -10.712 5.397 550 HB3 TYR 664 1HB TYR 664 6.567 -11.546 6.345 551 HD1 TYR 664 2HD TYR 664 3.046 -10.301 6.863 552 HD2 TYR 664 1HD TYR 664 5.837 -13.479 7.245 553 HE1 TYR 664 2HE TYR 664 1.330 -11.606 7.604 554 HE2 TYR 664 1HE TYR 664 4.136 -14.919 8.069 555 HH TYR 664 HH TYR 664 0.753 -14.040 7.833 556 H TYR 665 H TYR 665 5.136 -8.915 9.385 557 HA TYR 665 HA TYR 665 7.690 -9.324 10.710 558 HB2 TYR 665 2HB TYR 665 6.358 -7.254 11.083 559 HB3 TYR 665 1HB TYR 665 5.118 -8.221 11.866 560 HD1 TYR 665 1HD TYR 665 8.609 -7.048 12.134 561 HD2 TYR 665 2HD TYR 665 5.344 -8.849 14.152 562 HE1 TYR 665 1HE TYR 665 9.806 -6.787 14.256 563 HE2 TYR 665 2HE TYR 665 6.534 -8.590 16.299 564 HH TYR 665 HH TYR 665 9.346 -6.661 16.590 565 H ASP 666 H ASP 666 4.562 -10.734 10.770 566 HA ASP 666 HA ASP 666 5.325 -13.249 11.758 567 HB2 ASP 666 2HB ASP 666 4.480 -13.315 14.027 568 HB3 ASP 666 1HB ASP 666 5.588 -11.956 13.953 569 H GLY 667 H GLY 667 2.937 -10.807 11.530 570 HA2 GLY 667 2HA GLY 667 1.210 -12.584 10.050 571 HA3 GLY 667 1HA GLY 667 0.528 -11.988 11.552 572 H MET 668 H MET 668 1.769 -9.432 11.503 573 HA MET 668 HA MET 668 0.084 -8.165 9.592 574 HB2 MET 668 2HB MET 668 2.177 -6.976 11.427 575 HB3 MET 668 1HB MET 668 1.120 -6.035 10.394 576 HG2 MET 668 2HG MET 668 0.209 -5.931 12.564 577 HG3 MET 668 1HG MET 668 -0.816 -7.035 11.656 578 HE1 MET 668 3HE MET 668 1.851 -6.599 14.439 579 HE2 MET 668 1HE MET 668 2.735 -7.619 13.302 580 HE3 MET 668 2HE MET 668 2.241 -8.266 14.864 581 H ILE 669 H ILE 669 0.566 -7.702 7.639 582 HA ILE 669 HA ILE 669 3.293 -7.914 6.675 583 HB ILE 669 HB ILE 669 0.678 -7.343 5.316 584 HG12 ILE 669 1HG ILE 669 2.471 -9.581 4.988 585 HG23 ILE 669 2HG ILE 669 3.432 -7.785 4.086 586 HD11 ILE 669 1HD ILE 669 0.494 -10.813 4.103 587 H GLN 670 H GLN 670 4.469 -6.200 6.316 588 HA GLN 670 HA GLN 670 3.193 -3.583 6.590 589 HB2 GLN 670 2HB GLN 670 6.007 -4.290 7.388 590 HB3 GLN 670 1HB GLN 670 5.191 -2.751 7.640 591 HG2 GLN 670 2HG GLN 670 3.560 -3.915 9.081 592 HG3 GLN 670 1HG GLN 670 4.517 -5.382 8.893 593 HE21 GLN 670 2HE GLN 670 5.564 -2.416 11.426 594 H LEU 671 H LEU 671 3.404 -2.382 4.996 595 HA LEU 671 HA LEU 671 5.208 -3.058 2.728 596 HB2 LEU 671 2HB LEU 671 2.576 -2.246 2.774 597 HB3 LEU 671 1HB LEU 671 3.410 -0.731 2.703 598 HG LEU 671 HG LEU 671 3.420 -2.901 0.638 599 HD13 LEU 671 1HD LEU 671 1.454 -1.660 0.547 600 HD21 LEU 671 2HD LEU 671 4.732 -1.419 -0.787 601 H THR 672 H THR 672 6.951 -1.559 2.331 602 HA THR 672 HA THR 672 6.901 0.733 4.154 603 HB THR 672 HB THR 672 9.312 -1.076 3.844 604 HG1 THR 672 1HG THR 672 7.150 -1.129 5.430 605 HG21 THR 672 2HG THR 672 10.292 0.342 5.614 606 H TYR 673 H TYR 673 7.070 2.520 3.107 607 HA TYR 673 HA TYR 673 8.803 2.596 0.783 608 HB2 TYR 673 2HB TYR 673 6.429 4.339 1.506 609 HB3 TYR 673 1HB TYR 673 7.579 4.741 0.231 610 HD1 TYR 673 1HD TYR 673 7.952 3.171 -1.613 611 HD2 TYR 673 2HD TYR 673 4.673 2.822 1.051 612 HE1 TYR 673 1HE TYR 673 6.827 1.781 -3.232 613 HE2 TYR 673 2HE TYR 673 3.504 1.407 -0.588 614 HH TYR 673 HH TYR 673 3.519 0.869 -2.885 615 H ARG 674 H ARG 674 10.715 3.317 1.210 616 HA ARG 674 HA ARG 674 11.178 5.168 3.436 617 HB2 ARG 674 2HB ARG 674 12.238 2.884 3.425 618 HB3 ARG 674 1HB ARG 674 13.018 3.341 1.918 619 HG2 ARG 674 2HG ARG 674 14.119 5.182 3.126 620 HG3 ARG 674 1HG ARG 674 13.470 4.510 4.633 621 HD2 ARG 674 2HD ARG 674 14.602 2.386 4.125 622 HD3 ARG 674 1HD ARG 674 15.282 3.110 2.669 623 HE ARG 674 HE ARG 674 15.908 3.850 5.428 624 HH12 ARG 674 1HH ARG 674 18.348 4.541 2.290 625 HH21 ARG 674 2HH ARG 674 19.150 4.714 4.475 626 H ASP 675 H ASP 675 13.053 6.664 2.933 627 HA ASP 675 HA ASP 675 14.237 8.142 1.741 628 HB2 ASP 675 2HB ASP 675 13.751 6.187 -0.488 629 HB3 ASP 675 1HB ASP 675 14.629 7.679 -0.778 630 H GLY 676 H GLY 676 11.459 8.562 2.192 631 HA2 GLY 676 2HA GLY 676 10.410 10.000 -0.024 632 HA3 GLY 676 1HA GLY 676 9.899 10.093 1.663 633 H THR 677 H THR 677 9.709 12.412 1.087 634 HA THR 677 HA THR 677 12.101 13.901 0.633 635 HB THR 677 HB THR 677 9.357 14.873 1.543 636 HG1 THR 677 1HG THR 677 10.391 14.078 -0.930 637 HG21 THR 677 2HG THR 677 9.978 16.943 0.440 638 HA PRO 678 HA PRO 678 13.175 13.819 5.025 639 HB2 PRO 678 2HB PRO 678 15.544 15.071 4.798 640 HB3 PRO 678 1HB PRO 678 15.330 13.386 4.321 641 HG2 PRO 678 2HG PRO 678 15.478 15.827 2.620 642 HG3 PRO 678 1HG PRO 678 16.122 14.206 2.314 643 HD2 PRO 678 2HD PRO 678 13.798 15.199 1.218 644 HD3 PRO 678 1HD PRO 678 14.151 13.473 1.422 645 H TYR 679 H TYR 679 12.822 15.130 6.703 646 HA TYR 679 HA TYR 679 13.243 17.892 6.430 647 HB2 TYR 679 2HB TYR 679 11.018 18.657 6.790 648 HB3 TYR 679 1HB TYR 679 11.062 17.696 5.332 649 HD1 TYR 679 1HD TYR 679 10.484 15.113 5.860 650 HD2 TYR 679 2HD TYR 679 9.280 18.439 8.095 651 HE1 TYR 679 1HE TYR 679 8.417 13.816 6.697 652 HE2 TYR 679 2HE TYR 679 7.312 17.216 8.938 653 HH TYR 679 HH TYR 679 6.934 13.927 8.684 654 H ASN 680 H ASN 680 13.137 18.993 8.374 655 HA ASN 680 HA ASN 680 13.498 19.338 10.548 656 HB2 ASN 680 2HB ASN 680 11.097 17.527 10.800 657 HB3 ASN 680 1HB ASN 680 11.770 18.486 12.111 658 HD21 ASN 680 2HD ASN 680 8.958 20.204 10.280 659 H ASN 681 H ASN 681 15.568 18.187 10.317 660 HA ASN 681 HA ASN 681 16.287 16.844 12.617 661 HB2 ASN 681 2HB ASN 681 14.976 14.901 11.644 662 HB3 ASN 681 1HB ASN 681 16.065 14.912 10.268 663 HD21 ASN 681 2HD ASN 681 16.984 12.381 12.956 664 H GLU 682 H GLU 682 18.485 17.024 12.770 665 HA GLU 682 HA GLU 682 19.886 18.379 10.695 666 HB2 GLU 682 2HB GLU 682 20.332 18.767 13.091 667 HB3 GLU 682 1HB GLU 682 20.944 17.129 13.234 668 HG2 GLU 682 2HG GLU 682 22.759 17.661 11.699 669 HG3 GLU 682 1HG GLU 682 22.138 19.301 11.525 670 H LYS 683 H LYS 683 19.663 15.044 11.672 671 HA LYS 683 HA LYS 683 21.934 14.167 10.110 672 HB2 LYS 683 2HB LYS 683 19.669 12.560 11.304 673 HB3 LYS 683 1HB LYS 683 21.187 11.922 10.702 674 HG2 LYS 683 2HG LYS 683 22.383 13.079 12.485 675 HG3 LYS 683 1HG LYS 683 20.853 13.739 13.072 676 HD2 LYS 683 2HD LYS 683 20.032 11.446 13.414 677 HD3 LYS 683 1HD LYS 683 21.610 10.823 12.917 678 HE2 LYS 683 2HE LYS 683 22.644 12.057 14.772 679 HE3 LYS 683 1HE LYS 683 21.050 12.620 15.263 680 HZ1 LYS 683 3HZ LYS 683 20.399 10.276 15.604 681 HZ2 LYS 683 1HZ LYS 683 21.689 10.752 16.576 682 HZ3 LYS 683 2HZ LYS 683 21.988 9.814 15.233 683 H ARG 684 H ARG 684 18.806 15.087 9.570 684 HA ARG 684 HA ARG 684 17.338 15.109 7.899 685 HB2 ARG 684 2HB ARG 684 19.458 13.747 6.247 686 HB3 ARG 684 1HB ARG 684 17.947 14.388 5.628 687 HG2 ARG 684 2HG ARG 684 18.636 16.625 6.319 688 HG3 ARG 684 1HG ARG 684 20.174 15.950 6.885 689 HD2 ARG 684 2HD ARG 684 19.081 15.831 4.104 690 HD3 ARG 684 1HD ARG 684 20.414 16.873 4.642 691 HE ARG 684 HE ARG 684 21.506 14.639 5.244 692 HH12 ARG 684 1HH ARG 684 20.105 13.871 1.498 693 HH21 ARG 684 2HH ARG 684 21.815 12.509 2.431 694 H THR 685 H THR 685 15.676 13.976 8.293 695 HA THR 685 HA THR 685 15.880 11.112 7.872 696 HB THR 685 HB THR 685 15.301 11.524 10.208 697 HG1 THR 685 1HG THR 685 13.142 10.589 8.623 698 HG21 THR 685 2HG THR 685 12.919 13.038 9.145 699 HA PRO 686 HA PRO 686 13.170 12.069 4.452 700 HB2 PRO 686 2HB PRO 686 13.022 9.212 4.012 701 HB3 PRO 686 1HB PRO 686 13.760 10.466 3.007 702 HG2 PRO 686 2HG PRO 686 15.183 8.567 4.376 703 HG3 PRO 686 1HG PRO 686 15.830 10.155 3.923 704 HD2 PRO 686 2HD PRO 686 14.825 9.194 6.566 705 HD3 PRO 686 1HD PRO 686 16.138 10.328 6.170 706 H ARG 687 H ARG 687 11.033 12.169 4.382 707 HA ARG 687 HA ARG 687 9.373 11.173 6.382 708 HB2 ARG 687 2HB ARG 687 8.915 13.104 4.888 709 HB3 ARG 687 1HB ARG 687 8.812 12.006 3.540 710 HG2 ARG 687 2HG ARG 687 6.868 10.973 4.467 711 HG3 ARG 687 1HG ARG 687 6.987 12.014 5.894 712 HD2 ARG 687 2HD ARG 687 6.695 13.098 3.078 713 HD3 ARG 687 1HD ARG 687 5.337 12.754 4.151 714 HE ARG 687 HE ARG 687 5.959 14.456 5.526 715 HH12 ARG 687 1HH ARG 687 8.526 16.047 2.867 716 HH21 ARG 687 2HH ARG 687 7.485 17.417 4.385 717 H ALA 688 H ALA 688 8.227 9.238 6.477 718 HA ALA 688 HA ALA 688 8.688 7.297 4.303 719 HB1 ALA 688 1HB ALA 688 10.335 6.912 6.076 720 HB2 ALA 688 2HB ALA 688 9.200 5.567 5.929 721 HB3 ALA 688 3HB ALA 688 9.025 6.733 7.244 722 H THR 689 H THR 689 7.225 5.543 4.259 723 HA THR 689 HA THR 689 4.772 5.876 5.817 724 HB THR 689 HB THR 689 4.936 5.503 2.816 725 HG1 THR 689 1HG THR 689 5.000 7.583 4.170 726 HG21 THR 689 2HG THR 689 2.503 5.518 4.608 727 H LEU 690 H LEU 690 4.084 3.999 6.702 728 HA LEU 690 HA LEU 690 4.863 1.563 5.408 729 HB2 LEU 690 2HB LEU 690 6.405 1.908 7.252 730 HB3 LEU 690 1HB LEU 690 5.081 2.203 8.353 731 HG LEU 690 HG LEU 690 5.318 -0.403 6.951 732 HD13 LEU 690 1HD LEU 690 6.593 -1.238 8.916 733 HD21 LEU 690 2HD LEU 690 3.283 0.095 8.183 734 H ILE 691 H ILE 691 3.275 0.282 5.069 735 HA ILE 691 HA ILE 691 0.619 0.893 6.182 736 HB ILE 691 HB ILE 691 1.380 -0.956 3.902 737 HG12 ILE 691 1HG ILE 691 0.224 0.454 2.432 738 HG23 ILE 691 2HG ILE 691 -0.992 -1.157 3.429 739 HD11 ILE 691 1HD ILE 691 2.415 1.981 3.797 740 H THR 692 H THR 692 -0.230 -0.453 7.660 741 HA THR 692 HA THR 692 1.073 -3.009 8.156 742 HB THR 692 HB THR 692 -0.982 -1.471 9.801 743 HG1 THR 692 1HG THR 692 1.062 -1.297 11.148 744 HG21 THR 692 2HG THR 692 -0.283 -2.957 11.617 745 H PHE 693 H PHE 693 -0.012 -4.670 7.029 746 HA PHE 693 HA PHE 693 -2.801 -4.311 6.245 747 HB2 PHE 693 2HB PHE 693 -0.953 -6.640 5.648 748 HB3 PHE 693 1HB PHE 693 -2.571 -6.460 5.031 749 HD1 PHE 693 1HD PHE 693 0.838 -5.155 4.833 750 HD2 PHE 693 2HD PHE 693 -3.062 -5.050 3.129 751 HE1 PHE 693 1HE PHE 693 1.692 -3.852 2.886 752 HE2 PHE 693 2HE PHE 693 -2.183 -3.767 1.214 753 HZ PHE 693 HZ PHE 693 0.172 -3.191 1.099 754 H LEU 694 H LEU 694 -4.371 -4.985 7.351 755 HA LEU 694 HA LEU 694 -4.031 -7.196 9.254 756 HB2 LEU 694 2HB LEU 694 -5.804 -4.759 9.476 757 HB3 LEU 694 1HB LEU 694 -5.808 -6.105 10.593 758 HG LEU 694 HG LEU 694 -3.483 -4.229 10.138 759 HD13 LEU 694 1HD LEU 694 -5.348 -3.135 11.262 760 HD21 LEU 694 2HD LEU 694 -2.517 -5.328 12.099 761 H CYS 695 H CYS 695 -5.826 -8.571 9.419 762 HA CYS 695 HA CYS 695 -7.494 -8.559 6.995 763 HB2 CYS 695 2HB CYS 695 -5.909 -10.491 7.465 764 HB3 CYS 695 1HB CYS 695 -6.862 -10.818 8.896 765 H ASP 696 H ASP 696 -8.016 -6.964 9.339 766 HA ASP 696 HA ASP 696 -9.921 -8.239 11.023 767 HB2 ASP 696 2HB ASP 696 -8.700 -6.323 11.865 768 HB3 ASP 696 1HB ASP 696 -9.364 -5.307 10.592 769 H ARG 697 H ARG 697 -11.768 -8.919 10.409 770 HA ARG 697 HA ARG 697 -13.861 -9.043 9.709 771 HB2 ARG 697 2HB ARG 697 -13.689 -6.038 9.470 772 HB3 ARG 697 1HB ARG 697 -15.173 -6.980 9.430 773 HG2 ARG 697 2HG ARG 697 -14.700 -7.808 11.686 774 HG3 ARG 697 1HG ARG 697 -13.249 -6.809 11.726 775 HD2 ARG 697 2HD ARG 697 -14.645 -4.817 11.437 776 HD3 ARG 697 1HD ARG 697 -16.086 -5.830 11.460 777 HE ARG 697 HE ARG 697 -14.188 -5.635 13.684 778 HH12 ARG 697 1HH ARG 697 -18.209 -5.812 14.104 779 HH21 ARG 697 2HH ARG 697 -16.845 -5.691 15.967 780 H ASP 698 H ASP 698 -15.407 -8.016 7.790 781 HA ASP 698 HA ASP 698 -14.067 -9.018 5.439 782 HB2 ASP 698 2HB ASP 698 -16.912 -8.045 5.837 783 HB3 ASP 698 1HB ASP 698 -16.289 -8.672 4.320 784 H ALA 699 H ALA 699 -12.896 -7.801 4.260 785 HA ALA 699 HA ALA 699 -13.704 -5.005 3.866 786 HB1 ALA 699 1HB ALA 699 -10.914 -5.924 4.460 787 HB2 ALA 699 2HB ALA 699 -11.994 -5.102 5.584 788 HB3 ALA 699 3HB ALA 699 -11.419 -4.268 4.137 789 H GLY 700 H GLY 700 -13.004 -7.869 2.418 790 HA2 GLY 700 2HA GLY 700 -12.642 -8.510 0.286 791 HA3 GLY 700 1HA GLY 700 -13.041 -6.870 -0.185 792 H VAL 701 H VAL 701 -11.542 -5.936 -1.305 793 HA VAL 701 HA VAL 701 -8.897 -7.000 -1.554 794 HB VAL 701 HB VAL 701 -10.009 -4.387 -2.606 795 HG13 VAL 701 1HG VAL 701 -7.604 -5.970 -3.516 796 HG21 VAL 701 2HG VAL 701 -10.401 -5.596 -4.711 797 H GLY 702 H GLY 702 -10.388 -4.473 0.227 798 HA2 GLY 702 2HA GLY 702 -9.494 -3.593 2.188 799 HA3 GLY 702 1HA GLY 702 -7.898 -4.043 1.627 800 H PHE 703 H PHE 703 -9.304 -1.556 2.603 801 HA PHE 703 HA PHE 703 -8.211 0.203 0.540 802 HB2 PHE 703 2HB PHE 703 -10.649 0.504 0.820 803 HB3 PHE 703 1HB PHE 703 -10.428 0.732 2.547 804 HD1 PHE 703 2HD PHE 703 -9.542 2.178 -0.752 805 HD2 PHE 703 1HD PHE 703 -10.090 2.864 3.409 806 HE1 PHE 703 2HE PHE 703 -9.300 4.600 -1.119 807 HE2 PHE 703 1HE PHE 703 -9.846 5.277 3.052 808 HZ PHE 703 HZ PHE 703 -9.444 6.149 0.780 809 HA PRO 704 HA PRO 704 -5.332 1.132 3.858 810 HB2 PRO 704 2HB PRO 704 -4.091 3.259 2.713 811 HB3 PRO 704 1HB PRO 704 -3.751 1.592 2.239 812 HG2 PRO 704 2HG PRO 704 -5.448 3.638 0.885 813 HG3 PRO 704 1HG PRO 704 -4.379 2.420 0.175 814 HD2 PRO 704 2HD PRO 704 -7.102 2.174 0.326 815 HD3 PRO 704 1HD PRO 704 -5.988 0.795 0.252 816 H GLU 705 H GLU 705 -5.539 2.364 5.606 817 HA GLU 705 HA GLU 705 -7.018 4.864 5.388 818 HB2 GLU 705 2HB GLU 705 -7.325 2.638 7.357 819 HB3 GLU 705 1HB GLU 705 -8.017 4.242 7.648 820 HG2 GLU 705 2HG GLU 705 -9.298 3.978 5.501 821 HG3 GLU 705 1HG GLU 705 -8.649 2.361 5.374 822 H TYR 706 H TYR 706 -6.544 6.432 6.928 823 HA TYR 706 HA TYR 706 -3.758 6.642 7.507 824 HB2 TYR 706 2HB TYR 706 -5.277 8.474 6.704 825 HB3 TYR 706 1HB TYR 706 -6.077 8.432 8.259 826 HD1 TYR 706 1HD TYR 706 -2.468 8.520 7.244 827 HD2 TYR 706 2HD TYR 706 -5.627 10.403 9.381 828 HE1 TYR 706 1HE TYR 706 -0.931 10.304 7.949 829 HE2 TYR 706 2HE TYR 706 -4.069 12.187 10.101 830 HH TYR 706 HH TYR 706 -1.713 12.642 10.336 831 H GLN 707 H GLN 707 -2.910 5.643 9.189 832 HA GLN 707 HA GLN 707 -4.481 4.693 11.387 833 HB2 GLN 707 2HB GLN 707 -2.462 3.583 10.228 834 HB3 GLN 707 1HB GLN 707 -1.471 4.713 11.108 835 HG2 GLN 707 2HG GLN 707 -3.196 2.529 12.321 836 HG3 GLN 707 1HG GLN 707 -1.454 2.542 12.047 837 HE21 GLN 707 2HE GLN 707 -0.676 4.238 14.928 838 H GLU 708 H GLU 708 -1.598 6.822 11.162 839 HA GLU 708 HA GLU 708 -2.652 8.904 12.710 840 HB2 GLU 708 2HB GLU 708 -1.293 8.695 14.723 841 HB3 GLU 708 1HB GLU 708 -2.267 7.243 14.569 842 HG2 GLU 708 2HG GLU 708 -0.344 6.037 13.683 843 HG3 GLU 708 1HG GLU 708 0.632 7.497 13.800 844 H GLU 709 H GLU 709 -0.561 10.295 13.408 845 HA GLU 709 HA GLU 709 1.304 9.983 11.201 846 HB2 GLU 709 2HB GLU 709 1.522 12.424 11.095 847 HB3 GLU 709 1HB GLU 709 -0.092 11.864 10.696 848 HG2 GLU 709 2HG GLU 709 -0.858 12.509 12.927 849 HG3 GLU 709 1HG GLU 709 0.769 13.064 13.313 850 H ASP 710 H ASP 710 3.349 10.188 11.582 851 HA ASP 710 HA ASP 710 4.251 10.613 14.324 852 HB2 ASP 710 2HB ASP 710 4.872 8.434 13.430 853 HB3 ASP 710 1HB ASP 710 5.382 9.152 11.915 854 H ASN 711 H ASN 711 6.602 11.685 14.190 855 HA ASN 711 HA ASN 711 6.252 14.247 13.102 856 HB2 ASN 711 2HB ASN 711 7.639 13.826 15.088 857 HB3 ASN 711 1HB ASN 711 8.780 12.921 14.106 858 HD21 ASN 711 2HD ASN 711 8.812 16.964 14.168 859 H SER 712 H SER 712 7.697 11.351 11.804 860 HA SER 712 HA SER 712 8.045 12.813 9.292 861 HB2 SER 712 2HB SER 712 10.155 10.929 10.351 862 HB3 SER 712 1HB SER 712 10.162 11.857 8.838 863 HG SER 712 HG SER 712 9.707 13.607 10.702 864 H THR 713 H THR 713 7.492 9.778 10.959 865 HA THR 713 HA THR 713 7.221 8.298 8.492 866 HB THR 713 HB THR 713 6.668 7.437 11.350 867 HG1 THR 713 1HG THR 713 8.702 7.192 11.627 868 HG21 THR 713 2HG THR 713 7.400 5.849 8.872 869 H TYR 714 H TYR 714 5.200 7.472 7.785 870 HA TYR 714 HA TYR 714 2.852 8.237 9.337 871 HB2 TYR 714 2HB TYR 714 3.169 8.344 6.327 872 HB3 TYR 714 1HB TYR 714 1.617 8.480 7.155 873 HD1 TYR 714 1HD TYR 714 4.813 10.156 6.467 874 HD2 TYR 714 2HD TYR 714 1.036 10.493 8.373 875 HE1 TYR 714 1HE TYR 714 5.191 12.536 6.733 876 HE2 TYR 714 2HE TYR 714 1.391 12.916 8.652 877 HH TYR 714 HH TYR 714 3.243 14.453 8.784 878 H ASN 715 H ASN 715 1.549 6.676 9.831 879 HA ASN 715 HA ASN 715 2.102 3.969 8.757 880 HB2 ASN 715 2HB ASN 715 2.575 4.327 11.192 881 HB3 ASN 715 1HB ASN 715 0.895 4.780 11.413 882 HD21 ASN 715 2HD ASN 715 1.282 0.868 10.283 883 H PHE 716 H PHE 716 0.479 2.743 8.035 884 HA PHE 716 HA PHE 716 -2.174 3.951 7.946 885 HB2 PHE 716 2HB PHE 716 -0.495 2.928 5.715 886 HB3 PHE 716 1HB PHE 716 -2.222 3.016 5.495 887 HD1 PHE 716 1HD PHE 716 -3.310 5.269 5.547 888 HD2 PHE 716 2HD PHE 716 0.903 4.811 5.740 889 HE1 PHE 716 1HE PHE 716 -3.033 7.646 4.997 890 HE2 PHE 716 2HE PHE 716 1.189 7.194 5.182 891 HZ PHE 716 HZ PHE 716 -0.781 8.606 4.814 892 H ARG 717 H ARG 717 -3.848 2.562 8.009 893 HA ARG 717 HA ARG 717 -3.166 -0.245 8.534 894 HB2 ARG 717 2HB ARG 717 -5.729 1.243 9.154 895 HB3 ARG 717 1HB ARG 717 -5.412 -0.441 9.525 896 HG2 ARG 717 2HG ARG 717 -3.568 0.301 10.995 897 HG3 ARG 717 1HG ARG 717 -4.070 1.967 10.665 898 HD2 ARG 717 2HD ARG 717 -6.298 1.467 11.561 899 HD3 ARG 717 1HD ARG 717 -5.789 -0.175 11.923 900 HE ARG 717 HE ARG 717 -4.767 2.259 13.211 901 HH12 ARG 717 1HH ARG 717 -4.999 -1.407 14.953 902 HH21 ARG 717 2HH ARG 717 -4.304 0.484 16.222 903 H TRP 718 H TRP 718 -3.698 -1.637 7.088 904 HA TRP 718 HA TRP 718 -5.676 -0.872 5.040 905 HB2 TRP 718 2HB TRP 718 -3.247 -1.052 4.294 906 HB3 TRP 718 1HB TRP 718 -3.331 -2.756 4.704 907 HD1 TRP 718 HD TRP 718 -5.879 -3.749 3.310 908 HE1 TRP 718 1HE TRP 718 -6.143 -3.649 0.735 909 HE3 TRP 718 3HE TRP 718 -2.408 -0.113 2.237 910 HZ2 TRP 718 2HZ TRP 718 -5.048 -2.259 -1.408 911 HZ3 TRP 718 3HZ TRP 718 -2.092 0.526 -0.098 912 HH2 TRP 718 HH TRP 718 -3.376 -0.521 -1.885 913 H TYR 719 H TYR 719 -7.444 -2.024 5.483 914 HA TYR 719 HA TYR 719 -7.144 -4.626 6.768 915 HB2 TYR 719 2HB TYR 719 -9.632 -2.992 6.236 916 HB3 TYR 719 1HB TYR 719 -9.562 -4.496 7.141 917 HD1 TYR 719 2HD TYR 719 -8.137 -4.512 9.263 918 HD2 TYR 719 1HD TYR 719 -9.349 -0.940 7.319 919 HE1 TYR 719 2HE TYR 719 -7.752 -3.249 11.345 920 HE2 TYR 719 1HE TYR 719 -8.964 0.330 9.380 921 HH TYR 719 HH TYR 719 -8.886 -0.075 11.730 922 H THR 720 H THR 720 -6.897 -6.224 5.386 923 HA THR 720 HA THR 720 -8.647 -6.311 3.070 924 HB THR 720 HB THR 720 -6.582 -5.483 2.146 925 HG1 THR 720 1HG THR 720 -6.947 -6.737 0.592 926 HG21 THR 720 2HG THR 720 -4.486 -6.701 2.319 927 H SER 721 H SER 721 -9.308 -8.310 2.423 928 HA SER 721 HA SER 721 -9.293 -10.397 4.344 929 HB2 SER 721 2HB SER 721 -11.185 -9.999 2.792 930 HB3 SER 721 1HB SER 721 -10.150 -10.411 1.427 931 HG SER 721 HG SER 721 -11.025 -12.091 3.532 932 H TYR 722 H TYR 722 -7.277 -9.531 1.675 933 HA TYR 722 HA TYR 722 -6.143 -12.076 1.177 934 HB2 TYR 722 2HB TYR 722 -5.165 -9.309 0.498 935 HB3 TYR 722 1HB TYR 722 -4.320 -10.773 0.019 936 HD1 TYR 722 2HD TYR 722 -5.294 -12.278 -1.643 937 HD2 TYR 722 1HD TYR 722 -7.213 -8.625 -0.614 938 HE1 TYR 722 2HE TYR 722 -6.665 -12.430 -3.679 939 HE2 TYR 722 1HE TYR 722 -8.588 -8.775 -2.660 940 HH TYR 722 HH TYR 722 -8.770 -11.604 -4.536 941 H ALA 723 H ALA 723 -5.748 -9.967 3.783 942 HA ALA 723 HA ALA 723 -3.036 -10.702 4.354 943 HB1 ALA 723 1HB ALA 723 -5.084 -9.326 6.093 944 HB2 ALA 723 2HB ALA 723 -3.878 -8.540 5.085 945 HB3 ALA 723 3HB ALA 723 -3.370 -9.495 6.482 946 H CYS 724 H CYS 724 -5.807 -12.441 4.474 947 HA CYS 724 HA CYS 724 -4.880 -14.084 6.714 948 HB2 CYS 724 2HB CYS 724 -7.565 -13.947 5.328 949 HB3 CYS 724 1HB CYS 724 -7.122 -15.299 6.355 950 HA PRO 725 HA PRO 725 -3.592 -16.902 3.535 951 HB2 PRO 725 2HB PRO 725 -2.411 -18.728 5.147 952 HB3 PRO 725 1HB PRO 725 -1.669 -17.171 4.771 953 HG2 PRO 725 2HG PRO 725 -2.950 -18.091 7.266 954 HG3 PRO 725 1HG PRO 725 -1.720 -16.843 7.037 955 HD2 PRO 725 2HD PRO 725 -4.516 -16.480 7.417 956 HD3 PRO 725 1HD PRO 725 -3.300 -15.242 7.045 Start of MODEL 16 1 H1 GLU 578 1HT GLU 578 -4.568 -14.471 14.919 2 H2 GLU 578 2HT GLU 578 -4.590 -15.653 13.708 3 H3 GLU 578 3HT GLU 578 -3.154 -15.275 14.509 4 HA GLU 578 HA GLU 578 -5.555 -16.381 15.794 5 HB2 GLU 578 2HB GLU 578 -2.960 -17.778 15.046 6 HB3 GLU 578 1HB GLU 578 -4.174 -18.459 16.108 7 HG2 GLU 578 2HG GLU 578 -4.355 -19.405 13.880 8 HG3 GLU 578 1HG GLU 578 -5.792 -18.470 14.271 9 H ALA 579 H ALA 579 -2.018 -16.379 16.354 10 HA ALA 579 HA ALA 579 -2.623 -15.574 19.095 11 HB1 ALA 579 1HB ALA 579 -0.410 -16.445 19.639 12 HB2 ALA 579 2HB ALA 579 -0.150 -16.848 17.941 13 HB3 ALA 579 3HB ALA 579 -1.410 -17.673 18.864 14 H GLU 580 H GLU 580 -1.593 -13.842 19.972 15 HA GLU 580 HA GLU 580 -0.050 -12.171 18.136 16 HB2 GLU 580 2HB GLU 580 -2.148 -11.314 20.135 17 HB3 GLU 580 1HB GLU 580 -1.131 -10.215 19.210 18 HG2 GLU 580 2HG GLU 580 -2.100 -11.007 17.137 19 HG3 GLU 580 1HG GLU 580 -3.055 -12.195 18.019 20 H ALA 581 H ALA 581 1.956 -12.220 18.872 21 HA ALA 581 HA ALA 581 2.449 -11.673 21.687 22 HB1 ALA 581 1HB ALA 581 2.416 -14.123 21.497 23 HB2 ALA 581 2HB ALA 581 4.031 -13.524 21.853 24 HB3 ALA 581 3HB ALA 581 3.625 -14.033 20.216 25 H GLU 582 H GLU 582 4.490 -10.748 22.039 26 HA GLU 582 HA GLU 582 5.648 -9.642 19.664 27 HB2 GLU 582 2HB GLU 582 7.117 -8.312 21.210 28 HB3 GLU 582 1HB GLU 582 5.407 -8.039 21.445 29 HG2 GLU 582 2HG GLU 582 7.099 -9.827 23.196 30 HG3 GLU 582 1HG GLU 582 6.765 -8.134 23.537 31 H PHE 583 H PHE 583 6.961 -10.750 18.555 32 HA PHE 583 HA PHE 583 9.156 -12.182 19.808 33 HB2 PHE 583 2HB PHE 583 7.241 -13.796 19.521 34 HB3 PHE 583 1HB PHE 583 7.231 -13.419 17.810 35 HD1 PHE 583 1HD PHE 583 8.979 -14.287 16.344 36 HD2 PHE 583 2HD PHE 583 8.934 -15.186 20.504 37 HE1 PHE 583 1HE PHE 583 10.574 -16.117 15.964 38 HE2 PHE 583 2HE PHE 583 10.530 -17.014 20.129 39 HZ PHE 583 HZ PHE 583 11.353 -17.482 17.853 40 H LEU 584 H LEU 584 10.954 -11.969 18.495 41 HA LEU 584 HA LEU 584 10.605 -10.146 16.306 42 HB2 LEU 584 2HB LEU 584 13.128 -11.321 17.449 43 HB3 LEU 584 1HB LEU 584 13.062 -10.108 16.187 44 HG LEU 584 HG LEU 584 12.053 -9.759 18.992 45 HD13 LEU 584 1HD LEU 584 14.521 -8.663 17.629 46 HD21 LEU 584 2HD LEU 584 11.864 -7.371 18.378 47 H SER 585 H SER 585 9.517 -11.359 14.885 48 HA SER 585 HA SER 585 11.308 -12.851 13.165 49 HB2 SER 585 2HB SER 585 9.567 -14.583 12.721 50 HB3 SER 585 1HB SER 585 10.178 -14.617 14.373 51 HG SER 585 HG SER 585 7.842 -13.236 13.595 52 H ARG 586 H ARG 586 11.369 -11.161 11.812 53 HA ARG 586 HA ARG 586 8.922 -10.671 10.267 54 HB2 ARG 586 2HB ARG 586 9.340 -8.612 11.386 55 HB3 ARG 586 1HB ARG 586 11.081 -8.718 11.120 56 HG2 ARG 586 2HG ARG 586 10.665 -8.304 8.727 57 HG3 ARG 586 1HG ARG 586 8.937 -8.157 9.077 58 HD2 ARG 586 2HD ARG 586 9.326 -6.282 10.521 59 HD3 ARG 586 1HD ARG 586 11.068 -6.487 10.393 60 HE ARG 586 HE ARG 586 10.477 -6.047 7.865 61 HH12 ARG 586 1HH ARG 586 9.081 -2.881 9.983 62 HH21 ARG 586 2HH ARG 586 9.757 -2.616 7.658 63 H THR 587 H THR 587 9.180 -11.753 8.484 64 HA THR 587 HA THR 587 11.821 -11.697 7.248 65 HB THR 587 HB THR 587 9.478 -13.474 6.483 66 HG1 THR 587 1HG THR 587 10.000 -14.632 8.165 67 HG21 THR 587 2HG THR 587 11.149 -13.188 4.776 68 H GLU 588 H GLU 588 12.063 -10.628 5.328 69 HA GLU 588 HA GLU 588 9.646 -9.372 4.273 70 HB2 GLU 588 2HB GLU 588 12.485 -8.371 4.176 71 HB3 GLU 588 1HB GLU 588 11.067 -7.538 3.552 72 HG2 GLU 588 2HG GLU 588 10.158 -7.416 5.826 73 HG3 GLU 588 1HG GLU 588 11.606 -8.213 6.433 74 H GLY 589 H GLY 589 9.271 -9.463 2.181 75 HA2 GLY 589 2HA GLY 589 11.031 -11.198 0.597 76 HA3 GLY 589 1HA GLY 589 9.339 -10.867 0.232 77 H ASP 590 H ASP 590 10.225 -10.379 -1.906 78 HA ASP 590 HA ASP 590 10.702 -7.558 -2.107 79 HB2 ASP 590 2HB ASP 590 12.993 -8.340 -1.949 80 HB3 ASP 590 1HB ASP 590 12.695 -9.572 -3.169 81 H ASN 591 H ASN 591 10.165 -6.768 -4.065 82 HA ASN 591 HA ASN 591 9.038 -6.551 -5.963 83 HB2 ASN 591 2HB ASN 591 10.804 -8.125 -6.847 84 HB3 ASN 591 1HB ASN 591 9.696 -9.451 -6.553 85 HD21 ASN 591 2HD ASN 591 9.656 -8.220 -10.115 86 H CYS 592 H CYS 592 7.424 -6.560 -4.119 87 HA CYS 592 HA CYS 592 5.201 -6.517 -3.752 88 HB2 CYS 592 2HB CYS 592 5.235 -6.269 -6.284 89 HB3 CYS 592 1HB CYS 592 4.884 -7.988 -6.364 90 H THR 593 H THR 593 6.901 -9.005 -3.090 91 HA THR 593 HA THR 593 4.673 -10.719 -2.417 92 HB THR 593 HB THR 593 6.063 -12.734 -3.076 93 HG1 THR 593 1HG THR 593 7.496 -10.763 -4.526 94 HG21 THR 593 2HG THR 593 4.169 -12.033 -4.470 95 H VAL 594 H VAL 594 5.145 -12.103 -0.684 96 HA VAL 594 HA VAL 594 7.664 -11.664 0.660 97 HB VAL 594 HB VAL 594 6.328 -10.184 1.974 98 HG13 VAL 594 1HG VAL 594 4.243 -12.337 2.009 99 HG21 VAL 594 2HG VAL 594 7.629 -11.862 3.288 100 H PHE 595 H PHE 595 8.594 -13.356 1.434 101 HA PHE 595 HA PHE 595 7.064 -15.773 1.765 102 HB2 PHE 595 2HB PHE 595 8.850 -17.057 0.604 103 HB3 PHE 595 1HB PHE 595 7.984 -15.939 -0.450 104 HD1 PHE 595 1HD PHE 595 9.113 -13.863 -1.228 105 HD2 PHE 595 2HD PHE 595 11.195 -16.841 0.985 106 HE1 PHE 595 1HE PHE 595 11.250 -12.898 -1.949 107 HE2 PHE 595 2HE PHE 595 13.339 -15.875 0.270 108 HZ PHE 595 HZ PHE 595 13.367 -13.899 -1.199 109 H ASP 596 H ASP 596 7.765 -16.997 3.385 110 HA ASP 596 HA ASP 596 9.692 -15.702 5.204 111 HB2 ASP 596 2HB ASP 596 7.364 -16.050 6.009 112 HB3 ASP 596 1HB ASP 596 7.594 -17.787 5.822 113 H SER 597 H SER 597 11.602 -16.622 5.555 114 HA SER 597 HA SER 597 12.354 -18.934 4.157 115 HB2 SER 597 2HB SER 597 13.843 -17.407 6.287 116 HB3 SER 597 1HB SER 597 14.538 -18.578 5.164 117 HG SER 597 HG SER 597 13.718 -17.232 3.474 118 H GLN 598 H GLN 598 11.632 -18.440 7.625 119 HA GLN 598 HA GLN 598 12.463 -21.129 8.082 120 HB2 GLN 598 2HB GLN 598 11.745 -20.828 10.480 121 HB3 GLN 598 1HB GLN 598 13.093 -19.854 9.930 122 HG2 GLN 598 2HG GLN 598 10.280 -18.790 10.129 123 HG3 GLN 598 1HG GLN 598 11.382 -18.799 11.502 124 HE21 GLN 598 2HE GLN 598 11.730 -16.025 8.601 125 H ALA 599 H ALA 599 9.345 -19.581 7.938 126 HA ALA 599 HA ALA 599 8.089 -22.100 8.666 127 HB1 ALA 599 1HB ALA 599 7.145 -19.989 9.478 128 HB2 ALA 599 2HB ALA 599 5.989 -20.879 8.484 129 HB3 ALA 599 3HB ALA 599 6.845 -19.493 7.813 130 H GLY 600 H GLY 600 9.077 -20.525 5.799 131 HA2 GLY 600 2HA GLY 600 8.866 -21.109 3.585 132 HA3 GLY 600 1HA GLY 600 8.282 -22.674 4.149 133 H PHE 601 H PHE 601 7.110 -19.342 4.192 134 HA PHE 601 HA PHE 601 4.558 -20.305 3.105 135 HB2 PHE 601 2HB PHE 601 4.448 -19.939 5.588 136 HB3 PHE 601 1HB PHE 601 4.885 -18.255 5.312 137 HD1 PHE 601 1HD PHE 601 2.308 -20.798 4.983 138 HD2 PHE 601 2HD PHE 601 3.284 -16.687 4.357 139 HE1 PHE 601 1HE PHE 601 -0.062 -20.293 4.642 140 HE2 PHE 601 2HE PHE 601 0.915 -16.203 4.018 141 HZ PHE 601 HZ PHE 601 -0.760 -17.990 4.154 142 H SER 602 H SER 602 3.441 -18.657 1.774 143 HA SER 602 HA SER 602 5.110 -16.326 1.147 144 HB2 SER 602 2HB SER 602 3.881 -18.163 -0.901 145 HB3 SER 602 1HB SER 602 4.888 -16.750 -1.208 146 HG SER 602 HG SER 602 6.244 -18.319 0.428 147 H PHE 603 H PHE 603 4.011 -14.546 0.491 148 HA PHE 603 HA PHE 603 1.144 -14.694 -0.168 149 HB2 PHE 603 2HB PHE 603 2.387 -12.649 1.700 150 HB3 PHE 603 1HB PHE 603 0.910 -12.361 0.835 151 HD1 PHE 603 2HD PHE 603 -0.961 -14.199 1.284 152 HD2 PHE 603 1HD PHE 603 2.302 -13.319 3.869 153 HE1 PHE 603 2HE PHE 603 -2.273 -15.002 3.204 154 HE2 PHE 603 1HE PHE 603 1.002 -14.136 5.790 155 HZ PHE 603 HZ PHE 603 -1.290 -14.975 5.462 156 H ASP 604 H ASP 604 0.546 -13.303 -1.780 157 HA ASP 604 HA ASP 604 2.563 -11.400 -2.706 158 HB2 ASP 604 2HB ASP 604 1.936 -11.759 -5.034 159 HB3 ASP 604 1HB ASP 604 2.372 -13.315 -4.348 160 H LEU 605 H LEU 605 1.776 -9.401 -3.191 161 HA LEU 605 HA LEU 605 -1.113 -9.103 -2.790 162 HB2 LEU 605 2HB LEU 605 1.026 -7.085 -2.025 163 HB3 LEU 605 1HB LEU 605 -0.712 -6.863 -1.861 164 HG LEU 605 HG LEU 605 0.952 -8.871 -0.335 165 HD13 LEU 605 1HD LEU 605 0.386 -7.482 1.595 166 HD21 LEU 605 2HD LEU 605 -1.989 -8.208 -0.133 167 H THR 606 H THR 606 0.258 -9.657 -5.227 168 HA THR 606 HA THR 606 0.634 -7.471 -6.767 169 HB THR 606 HB THR 606 -0.369 -10.224 -7.517 170 HG1 THR 606 1HG THR 606 2.192 -9.063 -7.118 171 HG21 THR 606 2HG THR 606 -0.701 -8.619 -9.303 172 HA PRO 607 HA PRO 607 -4.255 -7.679 -7.857 173 HB2 PRO 607 2HB PRO 607 -5.200 -8.425 -5.135 174 HB3 PRO 607 1HB PRO 607 -5.863 -8.877 -6.710 175 HG2 PRO 607 2HG PRO 607 -4.522 -10.657 -5.284 176 HG3 PRO 607 1HG PRO 607 -4.279 -10.549 -7.037 177 HD2 PRO 607 2HD PRO 607 -2.558 -9.518 -4.818 178 HD3 PRO 607 1HD PRO 607 -2.083 -10.347 -6.314 179 H LEU 608 H LEU 608 -2.598 -6.709 -4.992 180 HA LEU 608 HA LEU 608 -4.313 -4.536 -4.262 181 HB2 LEU 608 2HB LEU 608 -1.555 -5.397 -3.457 182 HB3 LEU 608 1HB LEU 608 -2.234 -3.883 -2.938 183 HG LEU 608 HG LEU 608 -2.307 -5.629 -1.200 184 HD13 LEU 608 1HD LEU 608 -3.824 -3.890 -1.089 185 HD21 LEU 608 2HD LEU 608 -2.648 -7.625 -2.543 186 H THR 609 H THR 609 -1.897 -5.050 -6.621 187 HA THR 609 HA THR 609 -0.963 -2.343 -6.755 188 HB THR 609 HB THR 609 -0.792 -4.528 -8.842 189 HG1 THR 609 1HG THR 609 0.233 -4.450 -6.399 190 HG21 THR 609 2HG THR 609 1.213 -3.287 -9.576 191 H LYS 610 H LYS 610 -2.221 -0.737 -7.522 192 HA LYS 610 HA LYS 610 -4.205 -1.391 -9.606 193 HB2 LYS 610 2HB LYS 610 -4.507 0.771 -7.514 194 HB3 LYS 610 1HB LYS 610 -5.716 0.208 -8.643 195 HG2 LYS 610 2HG LYS 610 -5.607 -2.055 -7.413 196 HG3 LYS 610 1HG LYS 610 -4.597 -1.217 -6.277 197 HD2 LYS 610 2HD LYS 610 -6.752 -1.208 -5.327 198 HD3 LYS 610 1HD LYS 610 -6.435 0.425 -5.884 199 HE2 LYS 610 2HE LYS 610 -8.120 -1.625 -7.344 200 HE3 LYS 610 1HE LYS 610 -8.755 -0.366 -6.304 201 HZ1 LYS 610 3HZ LYS 610 -7.773 1.273 -7.888 202 HZ2 LYS 610 1HZ LYS 610 -8.985 0.331 -8.499 203 HZ3 LYS 610 2HZ LYS 610 -7.415 -0.013 -8.947 204 H LYS 611 H LYS 611 -4.428 0.153 -11.275 205 HA LYS 611 HA LYS 611 -2.131 1.770 -11.806 206 HB2 LYS 611 2HB LYS 611 -3.292 2.492 -13.847 207 HB3 LYS 611 1HB LYS 611 -3.439 0.752 -13.656 208 HG2 LYS 611 2HG LYS 611 -5.706 0.996 -12.859 209 HG3 LYS 611 1HG LYS 611 -5.577 2.756 -12.930 210 HD2 LYS 611 2HD LYS 611 -5.282 2.588 -15.368 211 HD3 LYS 611 1HD LYS 611 -5.447 0.837 -15.264 212 HE2 LYS 611 2HE LYS 611 -7.703 1.125 -14.299 213 HE3 LYS 611 1HE LYS 611 -7.532 2.871 -14.456 214 HZ1 LYS 611 3HZ LYS 611 -7.334 2.552 -16.869 215 HZ2 LYS 611 1HZ LYS 611 -8.806 1.959 -16.270 216 HZ3 LYS 611 2HZ LYS 611 -7.556 0.914 -16.690 217 H ASP 612 H ASP 612 -5.243 2.331 -10.431 218 HA ASP 612 HA ASP 612 -5.062 5.235 -10.531 219 HB2 ASP 612 2HB ASP 612 -7.052 3.432 -9.147 220 HB3 ASP 612 1HB ASP 612 -7.150 5.183 -9.178 221 H ALA 613 H ALA 613 -4.040 2.748 -8.552 222 HA ALA 613 HA ALA 613 -3.100 2.566 -6.516 223 HB1 ALA 613 1HB ALA 613 -1.669 4.444 -7.248 224 HB2 ALA 613 2HB ALA 613 -1.989 4.518 -5.517 225 HB3 ALA 613 3HB ALA 613 -2.848 5.590 -6.622 226 H TYR 614 H TYR 614 -3.298 3.722 -4.198 227 HA TYR 614 HA TYR 614 -6.190 3.781 -3.662 228 HB2 TYR 614 2HB TYR 614 -3.851 3.156 -1.866 229 HB3 TYR 614 1HB TYR 614 -5.510 3.254 -1.303 230 HD1 TYR 614 2HD TYR 614 -3.260 1.462 -3.617 231 HD2 TYR 614 1HD TYR 614 -6.928 1.372 -1.481 232 HE1 TYR 614 2HE TYR 614 -3.539 -0.865 -4.230 233 HE2 TYR 614 1HE TYR 614 -7.218 -0.997 -2.083 234 HH TYR 614 HH TYR 614 -4.680 -2.809 -3.407 235 H LYS 615 H LYS 615 -7.065 5.362 -2.408 236 HA LYS 615 HA LYS 615 -5.295 7.592 -1.820 237 HB2 LYS 615 2HB LYS 615 -7.130 9.131 -2.370 238 HB3 LYS 615 1HB LYS 615 -6.600 8.189 -3.741 239 HG2 LYS 615 2HG LYS 615 -8.818 7.970 -4.062 240 HG3 LYS 615 1HG LYS 615 -8.594 6.641 -2.918 241 HD2 LYS 615 2HD LYS 615 -10.550 7.933 -2.305 242 HD3 LYS 615 1HD LYS 615 -9.297 8.090 -1.076 243 HE2 LYS 615 2HE LYS 615 -8.714 10.256 -1.802 244 HE3 LYS 615 1HE LYS 615 -9.655 10.101 -3.288 245 HZ1 LYS 615 3HZ LYS 615 -11.658 10.096 -1.963 246 HZ2 LYS 615 1HZ LYS 615 -10.782 11.484 -1.672 247 HZ3 LYS 615 2HZ LYS 615 -10.825 10.254 -0.524 248 H VAL 616 H VAL 616 -5.330 8.333 0.115 249 HA VAL 616 HA VAL 616 -7.446 7.481 1.991 250 HB VAL 616 HB VAL 616 -4.597 8.232 2.683 251 HG13 VAL 616 1HG VAL 616 -6.729 6.886 4.301 252 HG21 VAL 616 2HG VAL 616 -5.709 5.456 2.397 253 H GLU 617 H GLU 617 -8.221 9.196 3.301 254 HA GLU 617 HA GLU 617 -7.031 11.765 2.693 255 HB2 GLU 617 2HB GLU 617 -9.249 12.799 2.542 256 HB3 GLU 617 1HB GLU 617 -8.948 11.635 1.264 257 HG2 GLU 617 2HG GLU 617 -10.328 10.000 2.402 258 HG3 GLU 617 1HG GLU 617 -10.584 11.125 3.738 259 H THR 618 H THR 618 -7.140 13.284 4.196 260 HA THR 618 HA THR 618 -8.549 12.822 6.671 261 HB THR 618 HB THR 618 -6.557 13.783 7.909 262 HG1 THR 618 1HG THR 618 -5.281 13.344 5.425 263 HG21 THR 618 2HG THR 618 -5.984 11.169 6.502 264 H ASP 619 H ASP 619 -8.392 15.121 7.822 265 HA ASP 619 HA ASP 619 -9.129 17.069 5.859 266 HB2 ASP 619 2HB ASP 619 -8.661 17.377 8.832 267 HB3 ASP 619 1HB ASP 619 -9.247 18.671 7.795 268 H LYS 620 H LYS 620 -6.289 16.057 7.230 269 HA LYS 620 HA LYS 620 -4.766 18.495 6.989 270 HB2 LYS 620 2HB LYS 620 -3.884 15.651 7.481 271 HB3 LYS 620 1HB LYS 620 -2.908 17.093 7.710 272 HG2 LYS 620 2HG LYS 620 -4.328 17.816 9.521 273 HG3 LYS 620 1HG LYS 620 -5.433 16.477 9.222 274 HD2 LYS 620 2HD LYS 620 -4.025 15.955 11.129 275 HD3 LYS 620 1HD LYS 620 -3.630 14.891 9.788 276 HE2 LYS 620 2HE LYS 620 -1.610 15.680 10.914 277 HE3 LYS 620 1HE LYS 620 -1.681 16.270 9.258 278 HZ1 LYS 620 3HZ LYS 620 -0.980 17.945 10.851 279 HZ2 LYS 620 1HZ LYS 620 -2.432 17.821 11.671 280 HZ3 LYS 620 2HZ LYS 620 -2.414 18.415 10.082 281 H TYR 621 H TYR 621 -4.446 15.220 5.528 282 HA TYR 621 HA TYR 621 -3.414 16.468 3.059 283 HB2 TYR 621 2HB TYR 621 -2.176 14.058 4.397 284 HB3 TYR 621 1HB TYR 621 -1.617 14.866 2.948 285 HD1 TYR 621 2HD TYR 621 -0.528 17.126 3.173 286 HD2 TYR 621 1HD TYR 621 -1.542 14.764 6.554 287 HE1 TYR 621 2HE TYR 621 1.001 18.460 4.574 288 HE2 TYR 621 1HE TYR 621 -0.008 16.087 7.941 289 HH TYR 621 HH TYR 621 1.379 19.014 6.826 290 H GLU 622 H GLU 622 -3.572 15.042 1.232 291 HA GLU 622 HA GLU 622 -5.253 12.688 1.651 292 HB2 GLU 622 2HB GLU 622 -5.789 12.819 -0.760 293 HB3 GLU 622 1HB GLU 622 -6.253 14.299 0.063 294 HG2 GLU 622 2HG GLU 622 -4.309 15.427 -0.799 295 HG3 GLU 622 1HG GLU 622 -3.733 13.933 -1.533 296 H PHE 623 H PHE 623 -4.357 10.770 1.185 297 HA PHE 623 HA PHE 623 -1.520 10.862 0.373 298 HB2 PHE 623 2HB PHE 623 -2.896 8.738 2.027 299 HB3 PHE 623 1HB PHE 623 -1.188 8.880 1.694 300 HD1 PHE 623 2HD PHE 623 -3.982 10.231 3.648 301 HD2 PHE 623 1HD PHE 623 0.197 10.436 2.886 302 HE1 PHE 623 2HE PHE 623 -3.680 11.544 5.701 303 HE2 PHE 623 1HE PHE 623 0.502 11.749 4.936 304 HZ PHE 623 HZ PHE 623 -1.434 12.306 6.347 305 H HIS 624 H HIS 624 -0.956 9.686 -1.401 306 HA HIS 624 HA HIS 624 -2.933 7.734 -2.295 307 HB2 HIS 624 2HB HIS 624 -1.040 9.400 -3.989 308 HB3 HIS 624 1HB HIS 624 -2.043 8.094 -4.613 309 HD1 HIS 624 1HD HIS 624 -4.491 8.651 -5.148 310 HD2 HIS 624 2HD HIS 624 -2.523 11.732 -3.154 311 HE1 HIS 624 1HE HIS 624 -6.044 10.585 -5.214 312 HE2 HIS 624 2HE HIS 624 -4.885 12.431 -3.921 313 H ILE 625 H ILE 625 -2.302 5.758 -2.195 314 HA ILE 625 HA ILE 625 0.585 5.162 -1.902 315 HB ILE 625 HB ILE 625 -1.656 3.882 -0.294 316 HG12 ILE 625 1HG ILE 625 0.310 6.005 0.603 317 HG23 ILE 625 2HG ILE 625 0.315 2.458 -0.584 318 HD11 ILE 625 1HD ILE 625 -1.908 4.674 2.126 319 H ASN 626 H ASN 626 1.101 2.974 -2.536 320 HA ASN 626 HA ASN 626 -0.994 1.404 -3.768 321 HB2 ASN 626 2HB ASN 626 0.405 2.885 -5.467 322 HB3 ASN 626 1HB ASN 626 1.672 1.712 -5.131 323 HD21 ASN 626 2HD ASN 626 -0.504 0.896 -8.107 324 H VAL 627 H VAL 627 -0.245 -0.847 -3.807 325 HA VAL 627 HA VAL 627 1.446 -1.269 -1.512 326 HB VAL 627 HB VAL 627 -0.104 -3.253 -3.193 327 HG13 VAL 627 1HG VAL 627 0.394 -4.917 -1.471 328 HG21 VAL 627 2HG VAL 627 -1.474 -3.411 -1.137 329 H CYS 628 H CYS 628 1.730 -1.500 -4.832 330 HA CYS 628 HA CYS 628 4.539 -2.252 -4.652 331 HB2 CYS 628 2HB CYS 628 2.705 -3.699 -6.594 332 HB3 CYS 628 1HB CYS 628 4.389 -4.016 -6.259 333 H GLY 629 H GLY 629 5.708 -1.278 -6.348 334 HA2 GLY 629 2HA GLY 629 6.067 -0.126 -8.298 335 HA3 GLY 629 1HA GLY 629 4.367 -0.345 -8.700 336 HA PRO 630 HA PRO 630 4.756 4.024 -7.391 337 HB2 PRO 630 2HB PRO 630 4.051 5.104 -9.831 338 HB3 PRO 630 1HB PRO 630 5.702 4.831 -9.280 339 HG2 PRO 630 2HG PRO 630 4.340 3.509 -11.422 340 HG3 PRO 630 1HG PRO 630 5.973 3.193 -10.821 341 HD2 PRO 630 2HD PRO 630 3.444 1.765 -10.268 342 HD3 PRO 630 1HD PRO 630 5.117 1.167 -10.197 343 H VAL 631 H VAL 631 3.208 5.761 -7.438 344 HA VAL 631 HA VAL 631 0.403 4.862 -7.675 345 HB VAL 631 HB VAL 631 -0.187 6.803 -6.263 346 HG13 VAL 631 1HG VAL 631 1.913 5.022 -5.111 347 HG21 VAL 631 2HG VAL 631 1.615 8.330 -6.862 348 H SER 632 H SER 632 -1.106 6.393 -8.595 349 HA SER 632 HA SER 632 0.279 8.130 -10.527 350 HB2 SER 632 2HB SER 632 -2.496 6.951 -10.662 351 HB3 SER 632 1HB SER 632 -1.695 7.886 -11.931 352 HG SER 632 HG SER 632 -1.611 5.312 -11.617 353 H VAL 633 H VAL 633 0.119 10.251 -10.222 354 HA VAL 633 HA VAL 633 -2.308 11.513 -9.291 355 HB VAL 633 HB VAL 633 0.340 12.149 -7.912 356 HG13 VAL 633 1HG VAL 633 -2.443 13.085 -7.287 357 HG21 VAL 633 2HG VAL 633 -0.541 11.161 -5.829 358 H GLY 634 H GLY 634 -2.332 13.704 -10.113 359 HA2 GLY 634 2HA GLY 634 -0.425 14.165 -12.255 360 HA3 GLY 634 1HA GLY 634 -1.848 15.130 -11.901 361 H ALA 635 H ALA 635 0.150 14.505 -9.246 362 HA ALA 635 HA ALA 635 1.647 17.009 -9.539 363 HB1 ALA 635 1HB ALA 635 1.033 17.709 -7.267 364 HB2 ALA 635 2HB ALA 635 -0.019 16.302 -7.121 365 HB3 ALA 635 3HB ALA 635 -0.393 17.562 -8.294 366 H CYS 636 H CYS 636 2.066 13.886 -9.354 367 HA CYS 636 HA CYS 636 4.256 14.068 -7.473 368 HB2 CYS 636 2HB CYS 636 2.296 11.753 -7.651 369 HB3 CYS 636 1HB CYS 636 3.725 11.814 -6.640 370 HA PRO 637 HA PRO 637 6.379 12.194 -10.935 371 HB2 PRO 637 2HB PRO 637 7.974 10.617 -9.022 372 HB3 PRO 637 1HB PRO 637 8.509 11.856 -10.159 373 HG2 PRO 637 2HG PRO 637 8.443 12.258 -7.493 374 HG3 PRO 637 1HG PRO 637 8.165 13.562 -8.661 375 HD2 PRO 637 2HD PRO 637 6.168 12.051 -7.004 376 HD3 PRO 637 1HD PRO 637 6.213 13.755 -7.485 377 HA PRO 638 HA PRO 638 4.466 8.141 -11.244 378 HB2 PRO 638 2HB PRO 638 5.490 7.337 -13.586 379 HB3 PRO 638 1HB PRO 638 4.385 8.716 -13.511 380 HG2 PRO 638 2HG PRO 638 7.374 8.701 -13.696 381 HG3 PRO 638 1HG PRO 638 6.211 9.692 -14.589 382 HD2 PRO 638 2HD PRO 638 7.576 10.575 -12.390 383 HD3 PRO 638 1HD PRO 638 5.987 11.197 -12.870 384 H ASP 639 H ASP 639 7.162 8.530 -9.926 385 HA ASP 639 HA ASP 639 8.158 5.756 -10.131 386 HB2 ASP 639 2HB ASP 639 9.705 7.341 -11.206 387 HB3 ASP 639 1HB ASP 639 9.746 8.304 -9.741 388 H SER 640 H SER 640 6.539 7.856 -8.263 389 HA SER 640 HA SER 640 7.801 7.166 -5.734 390 HB2 SER 640 2HB SER 640 5.494 9.024 -6.331 391 HB3 SER 640 1HB SER 640 6.399 8.911 -4.818 392 HG SER 640 HG SER 640 8.115 9.247 -6.802 393 H GLY 641 H GLY 641 6.678 5.819 -4.236 394 HA2 GLY 641 2HA GLY 641 4.322 4.551 -5.386 395 HA3 GLY 641 1HA GLY 641 5.410 3.764 -4.262 396 H ALA 642 H ALA 642 5.223 6.652 -2.963 397 HA ALA 642 HA ALA 642 2.481 6.663 -1.998 398 HB1 ALA 642 1HB ALA 642 3.229 6.918 0.341 399 HB2 ALA 642 2HB ALA 642 4.898 6.643 -0.167 400 HB3 ALA 642 3HB ALA 642 3.703 5.358 -0.323 401 H CYS 643 H CYS 643 1.741 8.706 -2.125 402 HA CYS 643 HA CYS 643 3.585 10.944 -1.741 403 HB2 CYS 643 2HB CYS 643 3.583 10.402 -4.180 404 HB3 CYS 643 1HB CYS 643 1.860 10.678 -4.208 405 H GLN 644 H GLN 644 2.637 12.713 -0.843 406 HA GLN 644 HA GLN 644 -0.261 12.537 -0.393 407 HB2 GLN 644 2HB GLN 644 0.077 13.694 1.756 408 HB3 GLN 644 1HB GLN 644 0.878 12.123 1.735 409 HG2 GLN 644 2HG GLN 644 3.018 13.318 1.345 410 HG3 GLN 644 1HG GLN 644 2.120 14.827 1.367 411 HE21 GLN 644 2HE GLN 644 3.606 13.950 4.726 412 H VAL 645 H VAL 645 -1.430 14.286 -0.620 413 HA VAL 645 HA VAL 645 -0.062 16.753 -1.420 414 HB VAL 645 HB VAL 645 -2.810 15.789 -2.323 415 HG13 VAL 645 1HG VAL 645 -2.699 18.217 -2.153 416 HG21 VAL 645 2HG VAL 645 -1.041 14.497 -3.394 417 H SER 646 H SER 646 -0.379 18.338 -0.085 418 HA SER 646 HA SER 646 -1.999 17.999 2.263 419 HB2 SER 646 2HB SER 646 0.143 19.232 2.366 420 HB3 SER 646 1HB SER 646 -0.521 20.442 1.275 421 HG SER 646 HG SER 646 -0.591 20.752 3.736 422 H ARG 647 H ARG 647 -3.865 18.897 2.776 423 HA ARG 647 HA ARG 647 -5.352 20.102 0.588 424 HB2 ARG 647 2HB ARG 647 -6.274 19.218 3.328 425 HB3 ARG 647 1HB ARG 647 -7.315 19.682 1.990 426 HG2 ARG 647 2HG ARG 647 -6.461 17.775 0.687 427 HG3 ARG 647 1HG ARG 647 -5.470 17.301 2.061 428 HD2 ARG 647 2HD ARG 647 -7.456 15.962 2.023 429 HD3 ARG 647 1HD ARG 647 -7.529 17.059 3.399 430 HE ARG 647 HE ARG 647 -8.801 18.200 1.164 431 HH12 ARG 647 1HH ARG 647 -10.992 15.772 3.546 432 HH21 ARG 647 2HH ARG 647 -12.045 17.174 1.977 433 H SER 648 H SER 648 -3.887 20.772 3.641 434 HA SER 648 HA SER 648 -5.079 23.360 3.951 435 HB2 SER 648 2HB SER 648 -2.744 22.079 5.361 436 HB3 SER 648 1HB SER 648 -3.638 23.505 5.900 437 HG SER 648 HG SER 648 -5.524 22.072 5.817 438 H ASP 649 H ASP 649 -1.953 22.059 2.854 439 HA ASP 649 HA ASP 649 -0.935 24.803 2.407 440 HB2 ASP 649 2HB ASP 649 0.518 22.160 2.141 441 HB3 ASP 649 1HB ASP 649 1.237 23.753 2.032 442 H ARG 650 H ARG 650 -2.437 22.305 0.709 443 HA ARG 650 HA ARG 650 -2.653 21.665 -1.453 444 HB2 ARG 650 2HB ARG 650 -1.987 24.586 -1.912 445 HB3 ARG 650 1HB ARG 650 -2.441 23.508 -3.214 446 HG2 ARG 650 2HG ARG 650 -4.385 24.742 -2.623 447 HG3 ARG 650 1HG ARG 650 -4.561 23.090 -2.015 448 HD2 ARG 650 2HD ARG 650 -4.011 23.826 0.233 449 HD3 ARG 650 1HD ARG 650 -3.719 25.464 -0.354 450 HE ARG 650 HE ARG 650 -6.323 24.635 -1.037 451 HH12 ARG 650 1HH ARG 650 -5.844 26.313 2.612 452 HH21 ARG 650 2HH ARG 650 -7.940 26.185 1.684 453 H LYS 651 H LYS 651 -0.062 21.474 -0.225 454 HA LYS 651 HA LYS 651 1.818 21.535 -2.512 455 HB2 LYS 651 2HB LYS 651 2.342 21.019 0.415 456 HB3 LYS 651 1HB LYS 651 3.566 20.942 -0.834 457 HG2 LYS 651 2HG LYS 651 3.245 23.304 -1.297 458 HG3 LYS 651 1HG LYS 651 1.980 23.355 -0.062 459 HD2 LYS 651 2HD LYS 651 3.598 22.688 1.643 460 HD3 LYS 651 1HD LYS 651 4.862 22.591 0.421 461 HE2 LYS 651 2HE LYS 651 4.648 24.964 -0.005 462 HE3 LYS 651 1HE LYS 651 3.353 25.090 1.192 463 HZ1 LYS 651 3HZ LYS 651 5.485 25.790 2.089 464 HZ2 LYS 651 1HZ LYS 651 6.164 24.294 1.742 465 HZ3 LYS 651 2HZ LYS 651 4.946 24.425 2.898 466 H SER 652 H SER 652 3.408 19.630 -2.424 467 HA SER 652 HA SER 652 2.028 17.128 -1.807 468 HB2 SER 652 2HB SER 652 2.792 16.252 -4.047 469 HB3 SER 652 1HB SER 652 1.534 17.488 -4.134 470 HG SER 652 HG SER 652 4.247 18.215 -4.239 471 H TRP 653 H TRP 653 3.376 15.480 -1.189 472 HA TRP 653 HA TRP 653 6.339 15.761 -1.358 473 HB2 TRP 653 2HB TRP 653 4.861 15.137 1.199 474 HB3 TRP 653 1HB TRP 653 6.589 15.092 0.944 475 HD1 TRP 653 HD TRP 653 7.835 17.511 0.805 476 HE1 TRP 653 1HE TRP 653 7.185 19.744 1.850 477 HE3 TRP 653 3HE TRP 653 2.968 16.499 1.715 478 HZ2 TRP 653 2HZ TRP 653 4.818 20.949 2.942 479 HZ3 TRP 653 3HZ TRP 653 1.574 18.128 2.725 480 HH2 TRP 653 HH TRP 653 2.454 20.382 3.358 481 H ASN 654 H ASN 654 7.436 13.987 -0.988 482 HA ASN 654 HA ASN 654 6.030 11.659 -1.982 483 HB2 ASN 654 2HB ASN 654 8.046 12.763 -3.042 484 HB3 ASN 654 1HB ASN 654 8.954 12.243 -1.639 485 HD21 ASN 654 2HD ASN 654 9.132 10.019 -4.618 486 H LEU 655 H LEU 655 5.887 9.841 -0.694 487 HA LEU 655 HA LEU 655 7.055 10.042 2.005 488 HB2 LEU 655 2HB LEU 655 4.720 8.385 1.107 489 HB3 LEU 655 1HB LEU 655 5.391 8.422 2.715 490 HG LEU 655 HG LEU 655 4.729 10.969 2.548 491 HD13 LEU 655 1HD LEU 655 4.135 11.095 0.378 492 HD21 LEU 655 2HD LEU 655 3.888 9.473 4.198 493 H GLY 656 H GLY 656 7.601 8.658 -0.883 494 HA2 GLY 656 2HA GLY 656 9.638 7.167 -0.171 495 HA3 GLY 656 1HA GLY 656 8.298 6.083 0.147 496 H ARG 657 H ARG 657 10.543 6.715 -1.915 497 HA ARG 657 HA ARG 657 9.224 6.582 -4.406 498 HB2 ARG 657 2HB ARG 657 11.374 7.505 -4.419 499 HB3 ARG 657 1HB ARG 657 12.039 6.220 -3.433 500 HG2 ARG 657 2HG ARG 657 12.102 4.762 -5.248 501 HG3 ARG 657 1HG ARG 657 11.140 5.854 -6.275 502 HD2 ARG 657 2HD ARG 657 13.796 6.617 -5.081 503 HD3 ARG 657 1HD ARG 657 13.653 5.815 -6.653 504 HE ARG 657 HE ARG 657 12.298 7.666 -7.356 505 HH12 ARG 657 1HH ARG 657 14.690 9.931 -4.942 506 HH21 ARG 657 2HH ARG 657 13.766 10.884 -6.849 507 H SER 658 H SER 658 8.769 4.809 -5.689 508 HA SER 658 HA SER 658 7.568 2.745 -4.511 509 HB2 SER 658 2HB SER 658 8.765 2.859 -7.236 510 HB3 SER 658 1HB SER 658 7.544 1.682 -6.721 511 HG SER 658 HG SER 658 6.123 3.160 -6.624 512 H ASN 659 H ASN 659 8.004 0.968 -3.556 513 HA ASN 659 HA ASN 659 10.449 -0.485 -3.967 514 HB2 ASN 659 2HB ASN 659 10.671 1.000 -2.032 515 HB3 ASN 659 1HB ASN 659 9.118 0.432 -1.429 516 HD21 ASN 659 2HD ASN 659 10.919 -1.609 0.581 517 H ALA 660 H ALA 660 9.962 -2.704 -3.433 518 HA ALA 660 HA ALA 660 7.113 -3.225 -3.026 519 HB1 ALA 660 1HB ALA 660 8.811 -4.717 -5.030 520 HB2 ALA 660 2HB ALA 660 7.646 -3.448 -5.418 521 HB3 ALA 660 3HB ALA 660 7.082 -4.939 -4.712 522 H LYS 661 H LYS 661 9.523 -3.294 -1.308 523 HA LYS 661 HA LYS 661 9.953 -6.032 -0.545 524 HB2 LYS 661 2HB LYS 661 10.471 -3.445 0.930 525 HB3 LYS 661 1HB LYS 661 10.960 -5.021 1.507 526 HG2 LYS 661 2HG LYS 661 11.950 -3.734 -1.033 527 HG3 LYS 661 1HG LYS 661 12.783 -3.669 0.517 528 HD2 LYS 661 2HD LYS 661 12.857 -6.158 0.497 529 HD3 LYS 661 1HD LYS 661 12.182 -6.113 -1.132 530 HE2 LYS 661 2HE LYS 661 14.773 -4.826 -0.275 531 HE3 LYS 661 1HE LYS 661 14.634 -6.348 -1.150 532 HZ1 LYS 661 3HZ LYS 661 13.754 -3.686 -2.167 533 HZ2 LYS 661 1HZ LYS 661 13.613 -5.179 -2.963 534 HZ3 LYS 661 2HZ LYS 661 15.136 -4.545 -2.633 535 H LEU 662 H LEU 662 8.134 -7.102 0.148 536 HA LEU 662 HA LEU 662 6.319 -5.766 1.989 537 HB2 LEU 662 2HB LEU 662 6.248 -8.508 0.724 538 HB3 LEU 662 1HB LEU 662 5.042 -7.960 1.885 539 HG LEU 662 HG LEU 662 5.564 -6.980 -0.912 540 HD13 LEU 662 1HD LEU 662 4.369 -9.074 -0.760 541 HD21 LEU 662 2HD LEU 662 3.649 -5.474 -0.578 542 H SER 663 H SER 663 6.277 -6.167 4.130 543 HA SER 663 HA SER 663 8.288 -8.023 5.205 544 HB2 SER 663 2HB SER 663 6.866 -5.751 6.589 545 HB3 SER 663 1HB SER 663 8.316 -6.593 7.125 546 HG SER 663 HG SER 663 9.526 -5.503 5.618 547 H TYR 664 H TYR 664 7.543 -9.554 6.752 548 HA TYR 664 HA TYR 664 4.696 -9.411 7.390 549 HB2 TYR 664 2HB TYR 664 5.047 -11.026 5.609 550 HB3 TYR 664 1HB TYR 664 6.259 -11.856 6.571 551 HD1 TYR 664 2HD TYR 664 2.574 -10.782 6.921 552 HD2 TYR 664 1HD TYR 664 5.572 -13.798 7.546 553 HE1 TYR 664 2HE TYR 664 0.951 -12.126 7.598 554 HE2 TYR 664 1HE TYR 664 3.799 -15.315 8.336 555 HH TYR 664 HH TYR 664 1.585 -15.265 9.206 556 H TYR 665 H TYR 665 4.273 -9.654 9.484 557 HA TYR 665 HA TYR 665 6.518 -10.388 11.215 558 HB2 TYR 665 2HB TYR 665 5.451 -8.220 11.657 559 HB3 TYR 665 1HB TYR 665 3.881 -8.989 11.772 560 HD1 TYR 665 1HD TYR 665 7.234 -8.900 13.371 561 HD2 TYR 665 2HD TYR 665 3.087 -9.678 13.852 562 HE1 TYR 665 1HE TYR 665 7.559 -9.128 15.793 563 HE2 TYR 665 2HE TYR 665 3.396 -9.905 16.276 564 HH TYR 665 HH TYR 665 5.085 -10.360 17.846 565 H ASP 666 H ASP 666 3.098 -10.641 11.443 566 HA ASP 666 HA ASP 666 2.881 -13.432 11.044 567 HB2 ASP 666 2HB ASP 666 3.695 -13.487 13.419 568 HB3 ASP 666 1HB ASP 666 2.371 -12.412 13.865 569 H GLY 667 H GLY 667 1.118 -13.256 9.817 570 HA2 GLY 667 2HA GLY 667 -1.060 -12.750 9.269 571 HA3 GLY 667 1HA GLY 667 -1.171 -12.013 10.862 572 H MET 668 H MET 668 0.475 -10.061 10.989 573 HA MET 668 HA MET 668 -0.672 -8.194 9.174 574 HB2 MET 668 2HB MET 668 1.255 -7.757 11.462 575 HB3 MET 668 1HB MET 668 0.656 -6.474 10.434 576 HG2 MET 668 2HG MET 668 -0.621 -6.412 12.425 577 HG3 MET 668 1HG MET 668 -1.664 -7.076 11.176 578 HE1 MET 668 3HE MET 668 0.407 -7.769 14.424 579 HE2 MET 668 1HE MET 668 1.209 -8.838 13.273 580 HE3 MET 668 2HE MET 668 0.267 -9.518 14.599 581 H ILE 669 H ILE 669 0.036 -8.311 7.316 582 HA ILE 669 HA ILE 669 2.818 -8.454 6.640 583 HB ILE 669 HB ILE 669 0.296 -7.925 5.129 584 HG12 ILE 669 1HG ILE 669 2.189 -10.120 4.947 585 HG23 ILE 669 2HG ILE 669 3.134 -8.243 4.035 586 HD11 ILE 669 1HD ILE 669 -0.599 -9.908 3.843 587 H GLN 670 H GLN 670 3.993 -6.694 6.092 588 HA GLN 670 HA GLN 670 2.658 -4.128 6.438 589 HB2 GLN 670 2HB GLN 670 5.382 -4.792 7.602 590 HB3 GLN 670 1HB GLN 670 4.526 -3.255 7.712 591 HG2 GLN 670 2HG GLN 670 2.714 -4.350 8.958 592 HG3 GLN 670 1HG GLN 670 3.597 -5.868 8.895 593 HE21 GLN 670 2HE GLN 670 5.502 -3.014 11.036 594 H LEU 671 H LEU 671 3.535 -2.418 5.335 595 HA LEU 671 HA LEU 671 5.222 -3.182 3.008 596 HB2 LEU 671 2HB LEU 671 2.870 -2.902 2.306 597 HB3 LEU 671 1HB LEU 671 2.854 -1.336 3.090 598 HG LEU 671 HG LEU 671 4.455 -0.490 1.414 599 HD13 LEU 671 1HD LEU 671 4.047 -3.157 0.106 600 HD21 LEU 671 2HD LEU 671 2.072 -0.159 1.113 601 H THR 672 H THR 672 6.940 -2.004 2.908 602 HA THR 672 HA THR 672 6.989 0.433 4.563 603 HB THR 672 HB THR 672 9.386 -1.284 3.916 604 HG1 THR 672 1HG THR 672 8.336 -2.618 5.222 605 HG21 THR 672 2HG THR 672 8.862 0.798 6.043 606 H TYR 673 H TYR 673 7.028 2.181 3.450 607 HA TYR 673 HA TYR 673 8.689 2.214 1.055 608 HB2 TYR 673 2HB TYR 673 6.329 3.975 1.730 609 HB3 TYR 673 1HB TYR 673 7.499 4.389 0.497 610 HD1 TYR 673 1HD TYR 673 8.007 1.868 -0.763 611 HD2 TYR 673 2HD TYR 673 4.368 3.496 0.610 612 HE1 TYR 673 1HE TYR 673 6.811 0.598 -2.488 613 HE2 TYR 673 2HE TYR 673 3.141 2.227 -1.116 614 HH TYR 673 HH TYR 673 4.480 -0.321 -2.879 615 H ARG 674 H ARG 674 10.396 3.357 0.964 616 HA ARG 674 HA ARG 674 10.921 5.347 3.016 617 HB2 ARG 674 2HB ARG 674 12.741 3.083 2.151 618 HB3 ARG 674 1HB ARG 674 13.279 4.457 3.103 619 HG2 ARG 674 2HG ARG 674 11.824 3.847 4.912 620 HG3 ARG 674 1HG ARG 674 11.101 2.563 3.945 621 HD2 ARG 674 2HD ARG 674 13.210 1.374 3.910 622 HD3 ARG 674 1HD ARG 674 13.996 2.694 4.779 623 HE ARG 674 HE ARG 674 12.189 2.149 6.533 624 HH12 ARG 674 1HH ARG 674 13.790 -1.488 5.799 625 HH21 ARG 674 2HH ARG 674 12.817 -1.042 7.872 626 H ASP 675 H ASP 675 13.171 6.380 2.294 627 HA ASP 675 HA ASP 675 14.400 7.584 0.809 628 HB2 ASP 675 2HB ASP 675 14.326 5.575 -0.806 629 HB3 ASP 675 1HB ASP 675 12.827 6.218 -1.415 630 H GLY 676 H GLY 676 11.548 8.036 1.790 631 HA2 GLY 676 2HA GLY 676 10.240 9.808 0.006 632 HA3 GLY 676 1HA GLY 676 9.939 9.641 1.723 633 H THR 677 H THR 677 9.622 12.066 0.926 634 HA THR 677 HA THR 677 11.961 13.675 0.706 635 HB THR 677 HB THR 677 9.146 14.523 1.458 636 HG1 THR 677 1HG THR 677 10.328 14.140 -1.082 637 HG21 THR 677 2HG THR 677 10.828 16.301 1.697 638 HA PRO 678 HA PRO 678 12.803 13.869 5.088 639 HB2 PRO 678 2HB PRO 678 14.777 15.675 5.037 640 HB3 PRO 678 1HB PRO 678 15.007 14.031 4.433 641 HG2 PRO 678 2HG PRO 678 14.487 16.550 2.911 642 HG3 PRO 678 1HG PRO 678 15.620 15.234 2.550 643 HD2 PRO 678 2HD PRO 678 13.182 15.492 1.347 644 HD3 PRO 678 1HD PRO 678 13.995 13.932 1.589 645 H TYR 679 H TYR 679 12.425 15.054 6.827 646 HA TYR 679 HA TYR 679 11.897 17.847 6.631 647 HB2 TYR 679 2HB TYR 679 9.700 17.641 7.873 648 HB3 TYR 679 1HB TYR 679 9.705 17.186 6.192 649 HD1 TYR 679 1HD TYR 679 9.839 15.757 9.616 650 HD2 TYR 679 2HD TYR 679 9.022 15.224 5.554 651 HE1 TYR 679 1HE TYR 679 8.742 13.594 10.145 652 HE2 TYR 679 2HE TYR 679 7.900 13.053 6.046 653 HH TYR 679 HH TYR 679 7.079 12.154 9.103 654 H ASN 680 H ASN 680 10.661 18.113 9.197 655 HA ASN 680 HA ASN 680 12.721 18.772 10.745 656 HB2 ASN 680 2HB ASN 680 10.535 19.499 11.323 657 HB3 ASN 680 1HB ASN 680 10.030 17.859 11.728 658 HD21 ASN 680 2HD ASN 680 12.180 20.102 14.358 659 H ASN 681 H ASN 681 14.343 17.841 11.257 660 HA ASN 681 HA ASN 681 14.631 16.175 13.426 661 HB2 ASN 681 2HB ASN 681 13.956 14.318 11.891 662 HB3 ASN 681 1HB ASN 681 15.175 14.821 10.734 663 HD21 ASN 681 2HD ASN 681 16.176 11.868 12.942 664 H GLU 682 H GLU 682 16.731 16.406 14.091 665 HA GLU 682 HA GLU 682 18.104 18.624 13.089 666 HB2 GLU 682 2HB GLU 682 18.229 17.807 15.417 667 HB3 GLU 682 1HB GLU 682 19.141 16.414 14.867 668 HG2 GLU 682 2HG GLU 682 20.967 17.860 14.187 669 HG3 GLU 682 1HG GLU 682 20.034 19.279 14.657 670 H LYS 683 H LYS 683 18.523 15.199 12.465 671 HA LYS 683 HA LYS 683 20.827 15.697 10.730 672 HB2 LYS 683 2HB LYS 683 19.534 13.110 11.594 673 HB3 LYS 683 1HB LYS 683 21.029 13.259 10.680 674 HG2 LYS 683 2HG LYS 683 22.085 14.380 12.565 675 HG3 LYS 683 1HG LYS 683 20.576 14.291 13.468 676 HD2 LYS 683 2HD LYS 683 20.682 11.838 13.369 677 HD3 LYS 683 1HD LYS 683 22.216 11.946 12.507 678 HE2 LYS 683 2HE LYS 683 23.212 13.120 14.396 679 HE3 LYS 683 1HE LYS 683 21.668 13.059 15.240 680 HZ1 LYS 683 3HZ LYS 683 23.303 10.686 14.478 681 HZ2 LYS 683 1HZ LYS 683 21.836 10.630 15.300 682 HZ3 LYS 683 2HZ LYS 683 23.163 11.322 16.030 683 H ARG 684 H ARG 684 17.624 15.984 10.340 684 HA ARG 684 HA ARG 684 16.118 15.902 8.741 685 HB2 ARG 684 2HB ARG 684 18.411 15.362 6.829 686 HB3 ARG 684 1HB ARG 684 16.756 15.571 6.308 687 HG2 ARG 684 2HG ARG 684 17.840 17.628 5.894 688 HG3 ARG 684 1HG ARG 684 16.880 17.897 7.344 689 HD2 ARG 684 2HD ARG 684 19.111 18.865 7.552 690 HD3 ARG 684 1HD ARG 684 18.874 17.557 8.718 691 HE ARG 684 HE ARG 684 19.999 16.592 6.319 692 HH12 ARG 684 1HH ARG 684 22.517 17.872 9.207 693 HH21 ARG 684 2HH ARG 684 23.271 16.398 7.545 694 H THR 685 H THR 685 14.677 14.498 8.683 695 HA THR 685 HA THR 685 15.509 11.734 8.284 696 HB THR 685 HB THR 685 14.479 12.109 10.466 697 HG1 THR 685 1HG THR 685 12.392 10.724 9.370 698 HG21 THR 685 2HG THR 685 13.025 14.004 9.906 699 HA PRO 686 HA PRO 686 13.142 12.041 4.470 700 HB2 PRO 686 2HB PRO 686 13.897 9.249 4.061 701 HB3 PRO 686 1HB PRO 686 14.319 10.685 3.112 702 HG2 PRO 686 2HG PRO 686 16.141 9.323 4.631 703 HG3 PRO 686 1HG PRO 686 16.254 11.058 4.293 704 HD2 PRO 686 2HD PRO 686 15.248 9.684 6.771 705 HD3 PRO 686 1HD PRO 686 16.243 11.151 6.597 706 H ARG 687 H ARG 687 11.074 11.714 4.375 707 HA ARG 687 HA ARG 687 9.545 10.521 6.294 708 HB2 ARG 687 2HB ARG 687 8.884 12.255 4.670 709 HB3 ARG 687 1HB ARG 687 8.899 11.048 3.423 710 HG2 ARG 687 2HG ARG 687 7.111 9.842 4.418 711 HG3 ARG 687 1HG ARG 687 7.127 10.914 5.822 712 HD2 ARG 687 2HD ARG 687 6.542 11.825 2.990 713 HD3 ARG 687 1HD ARG 687 5.339 11.412 4.226 714 HE ARG 687 HE ARG 687 5.973 13.273 5.470 715 HH12 ARG 687 1HH ARG 687 7.789 14.928 2.293 716 HH21 ARG 687 2HH ARG 687 7.039 16.290 4.013 717 H ALA 688 H ALA 688 8.630 8.544 6.567 718 HA ALA 688 HA ALA 688 9.034 6.520 4.507 719 HB1 ALA 688 1HB ALA 688 10.709 6.184 6.262 720 HB2 ALA 688 2HB ALA 688 9.521 4.883 6.269 721 HB3 ALA 688 3HB ALA 688 9.435 6.163 7.483 722 H THR 689 H THR 689 7.409 5.037 4.371 723 HA THR 689 HA THR 689 4.941 5.614 5.903 724 HB THR 689 HB THR 689 5.169 4.637 3.056 725 HG1 THR 689 1HG THR 689 5.874 6.724 3.224 726 HG21 THR 689 2HG THR 689 3.093 3.987 4.174 727 H LEU 690 H LEU 690 3.992 3.793 6.864 728 HA LEU 690 HA LEU 690 4.947 1.249 5.925 729 HB2 LEU 690 2HB LEU 690 6.106 1.851 7.960 730 HB3 LEU 690 1HB LEU 690 4.570 2.115 8.767 731 HG LEU 690 HG LEU 690 4.019 -0.257 8.408 732 HD13 LEU 690 1HD LEU 690 6.840 -0.347 7.434 733 HD21 LEU 690 2HD LEU 690 6.568 0.279 9.854 734 H ILE 691 H ILE 691 3.239 0.214 5.227 735 HA ILE 691 HA ILE 691 0.579 0.734 6.338 736 HB ILE 691 HB ILE 691 1.317 -1.109 4.035 737 HG12 ILE 691 1HG ILE 691 0.213 0.451 2.546 738 HG23 ILE 691 2HG ILE 691 -1.364 -0.254 4.983 739 HD11 ILE 691 1HD ILE 691 2.389 1.919 3.999 740 H THR 692 H THR 692 -0.405 -0.737 7.619 741 HA THR 692 HA THR 692 0.941 -3.318 7.971 742 HB THR 692 HB THR 692 -0.660 -1.707 10.006 743 HG1 THR 692 1HG THR 692 1.825 -1.451 9.111 744 HG21 THR 692 2HG THR 692 1.153 -4.099 10.356 745 H PHE 693 H PHE 693 -0.259 -4.871 7.016 746 HA PHE 693 HA PHE 693 -3.049 -4.394 6.348 747 HB2 PHE 693 2HB PHE 693 -1.269 -6.743 5.621 748 HB3 PHE 693 1HB PHE 693 -2.859 -6.418 4.963 749 HD1 PHE 693 2HD PHE 693 -3.161 -4.527 3.346 750 HD2 PHE 693 1HD PHE 693 0.651 -5.702 4.808 751 HE1 PHE 693 2HE PHE 693 -2.051 -3.204 1.555 752 HE2 PHE 693 1HE PHE 693 1.740 -4.398 3.021 753 HZ PHE 693 HZ PHE 693 0.379 -3.160 1.399 754 H LEU 694 H LEU 694 -4.531 -4.990 7.716 755 HA LEU 694 HA LEU 694 -4.158 -7.465 9.237 756 HB2 LEU 694 2HB LEU 694 -5.928 -5.073 9.821 757 HB3 LEU 694 1HB LEU 694 -6.094 -6.602 10.648 758 HG LEU 694 HG LEU 694 -3.788 -6.310 11.555 759 HD13 LEU 694 1HD LEU 694 -3.964 -3.563 10.353 760 HD21 LEU 694 2HD LEU 694 -5.706 -4.074 12.150 761 H CYS 695 H CYS 695 -5.957 -8.874 9.324 762 HA CYS 695 HA CYS 695 -7.510 -8.708 6.840 763 HB2 CYS 695 2HB CYS 695 -5.898 -10.604 7.106 764 HB3 CYS 695 1HB CYS 695 -6.793 -11.162 8.488 765 H ASP 696 H ASP 696 -8.184 -7.416 9.337 766 HA ASP 696 HA ASP 696 -10.283 -8.833 10.633 767 HB2 ASP 696 2HB ASP 696 -9.201 -6.961 11.768 768 HB3 ASP 696 1HB ASP 696 -9.736 -5.867 10.498 769 H ARG 697 H ARG 697 -12.079 -9.396 9.772 770 HA ARG 697 HA ARG 697 -13.966 -9.494 8.586 771 HB2 ARG 697 2HB ARG 697 -13.642 -6.487 8.388 772 HB3 ARG 697 1HB ARG 697 -15.108 -7.372 7.981 773 HG2 ARG 697 2HG ARG 697 -15.305 -8.138 10.284 774 HG3 ARG 697 1HG ARG 697 -13.807 -7.306 10.690 775 HD2 ARG 697 2HD ARG 697 -14.872 -5.169 10.125 776 HD3 ARG 697 1HD ARG 697 -16.381 -6.026 9.777 777 HE ARG 697 HE ARG 697 -15.566 -6.776 12.306 778 HH12 ARG 697 1HH ARG 697 -17.311 -3.134 12.190 779 HH21 ARG 697 2HH ARG 697 -17.152 -4.344 14.243 780 H ASP 698 H ASP 698 -14.858 -8.286 6.272 781 HA ASP 698 HA ASP 698 -12.666 -8.920 4.442 782 HB2 ASP 698 2HB ASP 698 -14.342 -9.658 2.807 783 HB3 ASP 698 1HB ASP 698 -14.483 -10.573 4.298 784 H ALA 699 H ALA 699 -12.128 -7.517 2.974 785 HA ALA 699 HA ALA 699 -13.852 -5.208 2.437 786 HB1 ALA 699 1HB ALA 699 -10.998 -4.955 3.379 787 HB2 ALA 699 2HB ALA 699 -12.427 -4.539 4.322 788 HB3 ALA 699 3HB ALA 699 -12.041 -3.630 2.860 789 H GLY 700 H GLY 700 -12.368 -7.687 1.162 790 HA2 GLY 700 2HA GLY 700 -11.562 -8.185 -0.906 791 HA3 GLY 700 1HA GLY 700 -12.049 -6.568 -1.418 792 H VAL 701 H VAL 701 -10.406 -5.413 -2.174 793 HA VAL 701 HA VAL 701 -7.723 -6.008 -1.683 794 HB VAL 701 HB VAL 701 -7.267 -3.817 -2.694 795 HG13 VAL 701 1HG VAL 701 -9.283 -5.530 -4.176 796 HG21 VAL 701 2HG VAL 701 -9.121 -2.506 -3.685 797 H GLY 702 H GLY 702 -9.969 -4.003 -0.097 798 HA2 GLY 702 2HA GLY 702 -9.818 -3.340 2.149 799 HA3 GLY 702 1HA GLY 702 -8.081 -3.575 2.072 800 H PHE 703 H PHE 703 -9.389 -1.362 3.196 801 HA PHE 703 HA PHE 703 -8.470 0.719 1.351 802 HB2 PHE 703 2HB PHE 703 -10.915 0.835 1.795 803 HB3 PHE 703 1HB PHE 703 -10.581 1.014 3.511 804 HD1 PHE 703 2HD PHE 703 -10.128 2.570 0.209 805 HD2 PHE 703 1HD PHE 703 -10.085 3.154 4.420 806 HE1 PHE 703 2HE PHE 703 -9.979 4.993 -0.135 807 HE2 PHE 703 1HE PHE 703 -9.932 5.591 4.077 808 HZ PHE 703 HZ PHE 703 -9.873 6.497 1.759 809 HA PRO 704 HA PRO 704 -5.532 1.361 4.671 810 HB2 PRO 704 2HB PRO 704 -4.153 3.369 3.443 811 HB3 PRO 704 1HB PRO 704 -3.892 1.657 3.106 812 HG2 PRO 704 2HG PRO 704 -5.280 3.703 1.471 813 HG3 PRO 704 1HG PRO 704 -4.450 2.231 0.972 814 HD2 PRO 704 2HD PRO 704 -7.217 2.585 1.176 815 HD3 PRO 704 1HD PRO 704 -6.361 1.042 1.007 816 H GLU 705 H GLU 705 -5.634 2.652 6.397 817 HA GLU 705 HA GLU 705 -6.856 5.296 6.111 818 HB2 GLU 705 2HB GLU 705 -7.134 3.233 8.260 819 HB3 GLU 705 1HB GLU 705 -7.730 4.893 8.462 820 HG2 GLU 705 2HG GLU 705 -9.180 4.500 6.442 821 HG3 GLU 705 1HG GLU 705 -8.629 2.835 6.437 822 H TYR 706 H TYR 706 -5.948 6.964 7.397 823 HA TYR 706 HA TYR 706 -3.141 6.582 7.779 824 HB2 TYR 706 2HB TYR 706 -4.089 8.662 6.800 825 HB3 TYR 706 1HB TYR 706 -4.831 9.025 8.347 826 HD1 TYR 706 1HD TYR 706 -1.378 7.970 7.308 827 HD2 TYR 706 2HD TYR 706 -3.768 10.839 9.359 828 HE1 TYR 706 1HE TYR 706 0.636 9.205 7.910 829 HE2 TYR 706 2HE TYR 706 -1.733 12.088 9.964 830 HH TYR 706 HH TYR 706 0.765 11.671 10.224 831 H GLN 707 H GLN 707 -2.049 6.273 9.537 832 HA GLN 707 HA GLN 707 -3.475 6.287 12.093 833 HB2 GLN 707 2HB GLN 707 -3.051 4.034 11.462 834 HB3 GLN 707 1HB GLN 707 -1.394 4.402 11.018 835 HG2 GLN 707 2HG GLN 707 -0.714 4.594 13.139 836 HG3 GLN 707 1HG GLN 707 -2.355 4.654 13.869 837 HE21 GLN 707 2HE GLN 707 -0.320 1.240 13.152 838 H GLU 708 H GLU 708 -0.186 6.435 10.769 839 HA GLU 708 HA GLU 708 1.715 7.516 11.362 840 HB2 GLU 708 2HB GLU 708 0.384 9.559 11.013 841 HB3 GLU 708 1HB GLU 708 -0.135 9.512 12.689 842 HG2 GLU 708 2HG GLU 708 2.304 9.680 13.324 843 HG3 GLU 708 1HG GLU 708 2.636 10.017 11.630 844 H GLU 709 H GLU 709 2.791 6.162 12.824 845 HA GLU 709 HA GLU 709 1.961 6.326 15.627 846 HB2 GLU 709 2HB GLU 709 2.126 4.084 14.603 847 HB3 GLU 709 1HB GLU 709 3.812 4.380 14.235 848 HG2 GLU 709 2HG GLU 709 4.323 4.468 16.607 849 HG3 GLU 709 1HG GLU 709 2.618 4.212 16.991 850 H ASP 710 H ASP 710 4.425 7.216 13.419 851 HA ASP 710 HA ASP 710 5.885 8.561 15.558 852 HB2 ASP 710 2HB ASP 710 7.216 6.552 14.974 853 HB3 ASP 710 1HB ASP 710 7.120 6.984 13.273 854 H ASN 711 H ASN 711 6.900 10.510 14.791 855 HA ASN 711 HA ASN 711 5.323 11.970 13.002 856 HB2 ASN 711 2HB ASN 711 8.101 12.549 14.028 857 HB3 ASN 711 1HB ASN 711 7.166 13.679 13.072 858 HD21 ASN 711 2HD ASN 711 6.205 15.005 16.133 859 H SER 712 H SER 712 8.220 10.071 12.437 860 HA SER 712 HA SER 712 8.215 11.091 9.726 861 HB2 SER 712 2HB SER 712 10.284 11.476 10.841 862 HB3 SER 712 1HB SER 712 10.448 9.758 11.267 863 HG SER 712 HG SER 712 10.147 9.691 8.766 864 H THR 713 H THR 713 6.852 8.645 11.289 865 HA THR 713 HA THR 713 7.163 6.903 8.961 866 HB THR 713 HB THR 713 6.674 5.923 11.782 867 HG1 THR 713 1HG THR 713 8.924 6.587 10.349 868 HG21 THR 713 2HG THR 713 7.203 3.725 10.807 869 H TYR 714 H TYR 714 5.405 7.253 7.861 870 HA TYR 714 HA TYR 714 2.900 7.846 9.114 871 HB2 TYR 714 2HB TYR 714 3.659 7.497 6.206 872 HB3 TYR 714 1HB TYR 714 2.038 7.876 6.755 873 HD1 TYR 714 1HD TYR 714 5.401 9.229 7.698 874 HD2 TYR 714 2HD TYR 714 1.533 10.080 6.137 875 HE1 TYR 714 1HE TYR 714 5.961 11.602 7.579 876 HE2 TYR 714 2HE TYR 714 2.100 12.459 6.043 877 HH TYR 714 HH TYR 714 3.710 14.005 7.171 878 H ASN 715 H ASN 715 2.412 6.084 10.240 879 HA ASN 715 HA ASN 715 2.130 3.494 9.052 880 HB2 ASN 715 2HB ASN 715 1.238 4.617 11.676 881 HB3 ASN 715 1HB ASN 715 0.767 3.011 11.126 882 HD21 ASN 715 2HD ASN 715 3.792 1.494 11.841 883 H PHE 716 H PHE 716 0.560 2.569 8.157 884 HA PHE 716 HA PHE 716 -2.010 3.929 8.099 885 HB2 PHE 716 2HB PHE 716 -0.468 2.696 5.860 886 HB3 PHE 716 1HB PHE 716 -2.207 2.831 5.722 887 HD1 PHE 716 2HD PHE 716 0.978 4.615 5.800 888 HD2 PHE 716 1HD PHE 716 -3.244 5.044 5.550 889 HE1 PHE 716 2HE PHE 716 1.253 6.949 5.052 890 HE2 PHE 716 1HE PHE 716 -2.967 7.371 4.812 891 HZ PHE 716 HZ PHE 716 -0.718 8.320 4.563 892 H ARG 717 H ARG 717 -3.642 2.818 8.671 893 HA ARG 717 HA ARG 717 -3.236 0.015 9.331 894 HB2 ARG 717 2HB ARG 717 -4.114 1.627 11.055 895 HB3 ARG 717 1HB ARG 717 -5.521 1.884 10.035 896 HG2 ARG 717 2HG ARG 717 -6.079 0.357 11.812 897 HG3 ARG 717 1HG ARG 717 -6.096 -0.498 10.273 898 HD2 ARG 717 2HD ARG 717 -5.028 -1.858 11.987 899 HD3 ARG 717 1HD ARG 717 -3.862 -1.402 10.752 900 HE ARG 717 HE ARG 717 -3.608 0.517 12.691 901 HH12 ARG 717 1HH ARG 717 -2.189 -3.027 14.012 902 HH21 ARG 717 2HH ARG 717 -1.459 -0.986 15.003 903 H TRP 718 H TRP 718 -3.814 -1.307 7.820 904 HA TRP 718 HA TRP 718 -5.866 -0.553 5.845 905 HB2 TRP 718 2HB TRP 718 -3.464 -0.678 5.102 906 HB3 TRP 718 1HB TRP 718 -3.473 -2.376 5.527 907 HD1 TRP 718 HD TRP 718 -6.073 -3.384 4.083 908 HE1 TRP 718 1HE TRP 718 -6.208 -3.351 1.482 909 HE3 TRP 718 3HE TRP 718 -2.464 0.127 3.036 910 HZ2 TRP 718 2HZ TRP 718 -5.005 -2.077 -0.628 911 HZ3 TRP 718 3HZ TRP 718 -2.036 0.670 0.701 912 HH2 TRP 718 HH TRP 718 -3.273 -0.405 -1.095 913 H TYR 719 H TYR 719 -7.574 -1.913 5.814 914 HA TYR 719 HA TYR 719 -7.291 -4.557 7.063 915 HB2 TYR 719 2HB TYR 719 -9.798 -2.902 6.657 916 HB3 TYR 719 1HB TYR 719 -9.735 -4.491 7.411 917 HD1 TYR 719 2HD TYR 719 -8.450 -4.737 9.565 918 HD2 TYR 719 1HD TYR 719 -9.417 -0.954 7.914 919 HE1 TYR 719 2HE TYR 719 -8.067 -3.689 11.765 920 HE2 TYR 719 1HE TYR 719 -9.034 0.112 10.092 921 HH TYR 719 HH TYR 719 -9.035 -0.511 12.434 922 H THR 720 H THR 720 -7.044 -6.058 5.567 923 HA THR 720 HA THR 720 -8.608 -5.858 3.122 924 HB THR 720 HB THR 720 -6.464 -4.990 2.462 925 HG1 THR 720 1HG THR 720 -6.705 -6.078 0.763 926 HG21 THR 720 2HG THR 720 -5.096 -5.877 4.246 927 H SER 721 H SER 721 -9.240 -7.746 2.209 928 HA SER 721 HA SER 721 -9.435 -10.008 3.885 929 HB2 SER 721 2HB SER 721 -10.009 -9.673 0.934 930 HB3 SER 721 1HB SER 721 -10.544 -11.021 1.936 931 HG SER 721 HG SER 721 -12.120 -9.907 2.463 932 H TYR 722 H TYR 722 -7.188 -8.936 1.477 933 HA TYR 722 HA TYR 722 -6.141 -11.472 0.750 934 HB2 TYR 722 2HB TYR 722 -5.113 -8.685 0.315 935 HB3 TYR 722 1HB TYR 722 -4.238 -10.109 -0.231 936 HD1 TYR 722 1HD TYR 722 -7.203 -8.011 -0.761 937 HD2 TYR 722 2HD TYR 722 -5.066 -11.449 -2.050 938 HE1 TYR 722 1HE TYR 722 -8.528 -8.056 -2.835 939 HE2 TYR 722 2HE TYR 722 -6.373 -11.500 -4.113 940 HH TYR 722 HH TYR 722 -8.488 -10.736 -4.955 941 H ALA 723 H ALA 723 -5.704 -9.655 3.541 942 HA ALA 723 HA ALA 723 -3.028 -10.505 4.047 943 HB1 ALA 723 1HB ALA 723 -5.096 -9.352 5.921 944 HB2 ALA 723 2HB ALA 723 -3.868 -8.464 5.042 945 HB3 ALA 723 3HB ALA 723 -3.390 -9.584 6.317 946 H CYS 724 H CYS 724 -5.835 -12.240 3.947 947 HA CYS 724 HA CYS 724 -4.808 -14.202 5.841 948 HB2 CYS 724 2HB CYS 724 -7.573 -13.890 4.652 949 HB3 CYS 724 1HB CYS 724 -7.075 -15.341 5.512 950 HA PRO 725 HA PRO 725 -3.917 -16.708 2.188 951 HB2 PRO 725 2HB PRO 725 -4.254 -19.182 3.669 952 HB3 PRO 725 1HB PRO 725 -2.746 -18.434 3.137 953 HG2 PRO 725 2HG PRO 725 -3.485 -18.624 5.767 954 HG3 PRO 725 1HG PRO 725 -2.439 -17.340 5.142 955 HD2 PRO 725 2HD PRO 725 -5.361 -17.271 5.762 956 HD3 PRO 725 1HD PRO 725 -4.105 -16.050 6.068 Start of MODEL 17 1 H1 GLU 578 1HT GLU 578 2.069 -23.311 15.499 2 H2 GLU 578 2HT GLU 578 2.036 -24.385 16.796 3 H3 GLU 578 3HT GLU 578 3.478 -23.568 16.391 4 HA GLU 578 HA GLU 578 1.007 -22.268 17.307 5 HB2 GLU 578 2HB GLU 578 2.196 -21.740 19.389 6 HB3 GLU 578 1HB GLU 578 2.164 -23.470 19.160 7 HG2 GLU 578 2HG GLU 578 4.546 -21.721 18.532 8 HG3 GLU 578 1HG GLU 578 4.313 -22.575 20.052 9 H ALA 579 H ALA 579 1.813 -19.943 18.164 10 HA ALA 579 HA ALA 579 3.727 -18.865 16.260 11 HB1 ALA 579 1HB ALA 579 1.504 -18.498 15.286 12 HB2 ALA 579 2HB ALA 579 2.260 -16.976 15.761 13 HB3 ALA 579 3HB ALA 579 0.991 -17.680 16.763 14 H GLU 580 H GLU 580 5.222 -18.371 17.680 15 HA GLU 580 HA GLU 580 4.526 -17.149 20.213 16 HB2 GLU 580 2HB GLU 580 7.169 -18.045 19.075 17 HB3 GLU 580 1HB GLU 580 6.933 -17.398 20.693 18 HG2 GLU 580 2HG GLU 580 5.675 -19.908 19.617 19 HG3 GLU 580 1HG GLU 580 7.087 -19.839 20.667 20 H ALA 581 H ALA 581 5.328 -15.137 20.866 21 HA ALA 581 HA ALA 581 5.950 -13.341 18.651 22 HB1 ALA 581 1HB ALA 581 5.090 -11.569 20.104 23 HB2 ALA 581 2HB ALA 581 4.808 -12.754 21.375 24 HB3 ALA 581 3HB ALA 581 3.895 -12.845 19.868 25 H GLU 582 H GLU 582 7.731 -15.090 20.337 26 HA GLU 582 HA GLU 582 9.255 -13.513 22.111 27 HB2 GLU 582 2HB GLU 582 10.177 -15.935 20.538 28 HB3 GLU 582 1HB GLU 582 10.927 -15.282 21.972 29 HG2 GLU 582 2HG GLU 582 9.001 -15.837 23.305 30 HG3 GLU 582 1HG GLU 582 8.146 -16.429 21.885 31 H PHE 583 H PHE 583 9.929 -14.502 18.772 32 HA PHE 583 HA PHE 583 11.874 -12.327 18.610 33 HB2 PHE 583 2HB PHE 583 11.440 -14.682 16.788 34 HB3 PHE 583 1HB PHE 583 12.578 -13.386 16.452 35 HD1 PHE 583 1HD PHE 583 14.379 -12.965 18.264 36 HD2 PHE 583 2HD PHE 583 12.115 -16.554 17.940 37 HE1 PHE 583 1HE PHE 583 16.119 -14.172 19.515 38 HE2 PHE 583 2HE PHE 583 13.853 -17.760 19.190 39 HZ PHE 583 HZ PHE 583 15.852 -16.573 19.977 40 H LEU 584 H LEU 584 9.226 -13.719 16.621 41 HA LEU 584 HA LEU 584 7.858 -12.815 15.050 42 HB2 LEU 584 2HB LEU 584 8.421 -10.267 16.584 43 HB3 LEU 584 1HB LEU 584 7.252 -10.371 15.292 44 HG LEU 584 HG LEU 584 7.113 -11.862 17.906 45 HD13 LEU 584 1HD LEU 584 6.725 -9.466 18.171 46 HD21 LEU 584 2HD LEU 584 6.058 -13.124 16.102 47 H SER 585 H SER 585 10.626 -13.127 14.497 48 HA SER 585 HA SER 585 11.947 -11.053 13.317 49 HB2 SER 585 2HB SER 585 11.916 -13.939 12.413 50 HB3 SER 585 1HB SER 585 13.185 -12.752 12.090 51 HG SER 585 HG SER 585 12.920 -14.326 14.190 52 H ARG 586 H ARG 586 11.254 -9.712 11.886 53 HA ARG 586 HA ARG 586 9.150 -10.337 10.058 54 HB2 ARG 586 2HB ARG 586 9.262 -8.163 11.183 55 HB3 ARG 586 1HB ARG 586 10.791 -7.833 10.389 56 HG2 ARG 586 2HG ARG 586 9.703 -7.843 8.225 57 HG3 ARG 586 1HG ARG 586 8.166 -8.239 8.987 58 HD2 ARG 586 2HD ARG 586 8.250 -5.879 8.510 59 HD3 ARG 586 1HD ARG 586 8.274 -6.137 10.248 60 HE ARG 586 HE ARG 586 10.866 -5.907 9.079 61 HH12 ARG 586 1HH ARG 586 9.046 -2.705 10.745 62 HH21 ARG 586 2HH ARG 586 11.327 -2.626 10.268 63 H THR 587 H THR 587 9.552 -11.383 8.267 64 HA THR 587 HA THR 587 12.144 -11.171 6.972 65 HB THR 587 HB THR 587 9.739 -12.927 6.405 66 HG1 THR 587 1HG THR 587 11.023 -13.145 8.408 67 HG21 THR 587 2HG THR 587 11.312 -14.246 5.034 68 H GLU 588 H GLU 588 12.406 -9.943 5.126 69 HA GLU 588 HA GLU 588 9.946 -9.060 3.868 70 HB2 GLU 588 2HB GLU 588 11.205 -7.151 2.905 71 HB3 GLU 588 1HB GLU 588 11.118 -7.116 4.650 72 HG2 GLU 588 2HG GLU 588 13.525 -8.110 3.140 73 HG3 GLU 588 1HG GLU 588 13.308 -6.425 3.607 74 H GLY 589 H GLY 589 9.516 -9.403 1.866 75 HA2 GLY 589 2HA GLY 589 11.440 -11.012 0.323 76 HA3 GLY 589 1HA GLY 589 9.693 -10.990 0.062 77 H ASP 590 H ASP 590 10.000 -10.419 -2.180 78 HA ASP 590 HA ASP 590 10.132 -7.591 -2.433 79 HB2 ASP 590 2HB ASP 590 11.840 -7.473 -4.172 80 HB3 ASP 590 1HB ASP 590 12.515 -8.088 -2.676 81 H ASN 591 H ASN 591 9.695 -6.862 -4.580 82 HA ASN 591 HA ASN 591 8.081 -6.590 -6.047 83 HB2 ASN 591 2HB ASN 591 9.844 -7.557 -7.419 84 HB3 ASN 591 1HB ASN 591 9.201 -9.172 -7.138 85 HD21 ASN 591 2HD ASN 591 7.536 -6.684 -9.892 86 H CYS 592 H CYS 592 6.473 -6.751 -4.467 87 HA CYS 592 HA CYS 592 4.276 -7.080 -4.080 88 HB2 CYS 592 2HB CYS 592 4.389 -8.711 -6.587 89 HB3 CYS 592 1HB CYS 592 2.907 -8.147 -5.799 90 H THR 593 H THR 593 6.430 -9.327 -3.413 91 HA THR 593 HA THR 593 4.386 -11.119 -2.463 92 HB THR 593 HB THR 593 5.792 -13.101 -2.982 93 HG1 THR 593 1HG THR 593 7.422 -11.161 -4.298 94 HG21 THR 593 2HG THR 593 5.338 -13.179 -5.414 95 H VAL 594 H VAL 594 4.958 -12.289 -0.651 96 HA VAL 594 HA VAL 594 7.435 -11.613 0.632 97 HB VAL 594 HB VAL 594 6.054 -9.885 1.553 98 HG13 VAL 594 1HG VAL 594 3.901 -10.314 2.633 99 HG21 VAL 594 2HG VAL 594 6.002 -10.385 3.844 100 H PHE 595 H PHE 595 8.236 -13.222 1.799 101 HA PHE 595 HA PHE 595 6.528 -15.496 2.295 102 HB2 PHE 595 2HB PHE 595 8.387 -16.978 1.559 103 HB3 PHE 595 1HB PHE 595 7.686 -16.007 0.267 104 HD1 PHE 595 1HD PHE 595 8.980 -14.247 -0.805 105 HD2 PHE 595 2HD PHE 595 10.670 -16.581 2.328 106 HE1 PHE 595 1HE PHE 595 11.216 -13.418 -1.398 107 HE2 PHE 595 2HE PHE 595 12.904 -15.755 1.738 108 HZ PHE 595 HZ PHE 595 13.177 -14.170 -0.129 109 H ASP 596 H ASP 596 7.088 -16.663 4.059 110 HA ASP 596 HA ASP 596 8.917 -15.351 6.010 111 HB2 ASP 596 2HB ASP 596 6.464 -15.810 6.574 112 HB3 ASP 596 1HB ASP 596 6.843 -17.509 6.390 113 H SER 597 H SER 597 10.865 -16.254 5.898 114 HA SER 597 HA SER 597 11.371 -18.768 4.726 115 HB2 SER 597 2HB SER 597 13.158 -17.060 6.447 116 HB3 SER 597 1HB SER 597 13.680 -18.375 5.395 117 HG SER 597 HG SER 597 13.579 -15.965 4.678 118 H GLN 598 H GLN 598 10.437 -17.905 7.876 119 HA GLN 598 HA GLN 598 11.920 -19.893 9.332 120 HB2 GLN 598 2HB GLN 598 9.653 -18.082 10.096 121 HB3 GLN 598 1HB GLN 598 10.717 -18.934 11.210 122 HG2 GLN 598 2HG GLN 598 12.436 -17.483 10.871 123 HG3 GLN 598 1HG GLN 598 11.958 -17.139 9.208 124 HE21 GLN 598 2HE GLN 598 9.848 -14.497 9.918 125 H ALA 599 H ALA 599 8.520 -19.271 8.489 126 HA ALA 599 HA ALA 599 7.785 -21.968 9.401 127 HB1 ALA 599 1HB ALA 599 6.401 -20.131 10.171 128 HB2 ALA 599 2HB ALA 599 5.480 -21.222 9.143 129 HB3 ALA 599 3HB ALA 599 6.052 -19.690 8.489 130 H GLY 600 H GLY 600 8.408 -20.255 6.494 131 HA2 GLY 600 2HA GLY 600 8.417 -21.083 4.313 132 HA3 GLY 600 1HA GLY 600 7.740 -22.597 4.920 133 H PHE 601 H PHE 601 6.891 -19.220 4.471 134 HA PHE 601 HA PHE 601 4.207 -20.052 3.629 135 HB2 PHE 601 2HB PHE 601 4.150 -19.452 6.020 136 HB3 PHE 601 1HB PHE 601 4.851 -17.887 5.636 137 HD1 PHE 601 1HD PHE 601 1.914 -20.022 5.281 138 HD2 PHE 601 2HD PHE 601 3.517 -16.094 4.781 139 HE1 PHE 601 1HE PHE 601 -0.344 -19.143 4.929 140 HE2 PHE 601 2HE PHE 601 1.276 -15.244 4.441 141 HZ PHE 601 HZ PHE 601 -0.662 -16.750 4.508 142 H SER 602 H SER 602 3.253 -18.561 2.094 143 HA SER 602 HA SER 602 4.848 -16.230 1.443 144 HB2 SER 602 2HB SER 602 4.733 -16.817 -0.998 145 HB3 SER 602 1HB SER 602 5.774 -17.868 -0.037 146 HG SER 602 HG SER 602 3.549 -19.061 0.119 147 H PHE 603 H PHE 603 3.706 -14.497 0.845 148 HA PHE 603 HA PHE 603 0.915 -14.870 0.043 149 HB2 PHE 603 2HB PHE 603 2.046 -12.796 1.856 150 HB3 PHE 603 1HB PHE 603 0.773 -12.314 0.754 151 HD1 PHE 603 2HD PHE 603 -1.007 -14.620 0.771 152 HD2 PHE 603 1HD PHE 603 1.149 -12.812 3.944 153 HE1 PHE 603 2HE PHE 603 -2.702 -15.406 2.356 154 HE2 PHE 603 1HE PHE 603 -0.561 -13.587 5.545 155 HZ PHE 603 HZ PHE 603 -2.487 -14.886 4.742 156 H ASP 604 H ASP 604 0.060 -13.505 -1.429 157 HA ASP 604 HA ASP 604 1.980 -12.145 -3.216 158 HB2 ASP 604 2HB ASP 604 -0.439 -13.798 -4.021 159 HB3 ASP 604 1HB ASP 604 0.532 -12.833 -5.114 160 H LEU 605 H LEU 605 1.444 -10.029 -3.239 161 HA LEU 605 HA LEU 605 -1.400 -9.449 -2.864 162 HB2 LEU 605 2HB LEU 605 0.927 -7.618 -2.197 163 HB3 LEU 605 1HB LEU 605 -0.779 -7.241 -2.000 164 HG LEU 605 HG LEU 605 0.756 -9.335 -0.458 165 HD13 LEU 605 1HD LEU 605 -0.417 -6.699 0.374 166 HD21 LEU 605 2HD LEU 605 -1.316 -9.603 0.864 167 H THR 606 H THR 606 -0.260 -10.169 -5.305 168 HA THR 606 HA THR 606 0.243 -8.047 -6.974 169 HB THR 606 HB THR 606 -0.606 -9.631 -8.811 170 HG1 THR 606 1HG THR 606 -0.467 -11.887 -7.626 171 HG21 THR 606 2HG THR 606 1.368 -11.073 -8.577 172 HA PRO 607 HA PRO 607 -4.485 -7.637 -8.007 173 HB2 PRO 607 2HB PRO 607 -6.263 -8.257 -6.035 174 HB3 PRO 607 1HB PRO 607 -5.799 -9.405 -7.296 175 HG2 PRO 607 2HG PRO 607 -4.892 -9.213 -4.465 176 HG3 PRO 607 1HG PRO 607 -5.197 -10.649 -5.450 177 HD2 PRO 607 2HD PRO 607 -2.703 -9.655 -4.922 178 HD3 PRO 607 1HD PRO 607 -3.077 -10.616 -6.350 179 H LEU 608 H LEU 608 -2.911 -7.027 -5.112 180 HA LEU 608 HA LEU 608 -4.476 -4.833 -4.149 181 HB2 LEU 608 2HB LEU 608 -1.738 -5.896 -3.481 182 HB3 LEU 608 1HB LEU 608 -2.410 -4.453 -2.777 183 HG LEU 608 HG LEU 608 -2.506 -6.447 -1.284 184 HD13 LEU 608 1HD LEU 608 -3.928 -4.653 -0.922 185 HD21 LEU 608 2HD LEU 608 -4.575 -7.468 -3.212 186 H THR 609 H THR 609 -1.971 -5.337 -6.452 187 HA THR 609 HA THR 609 -0.938 -2.676 -6.407 188 HB THR 609 HB THR 609 -0.715 -4.792 -8.544 189 HG1 THR 609 1HG THR 609 0.267 -4.683 -6.018 190 HG21 THR 609 2HG THR 609 -0.028 -2.545 -9.270 191 H LYS 610 H LYS 610 -2.108 -1.003 -7.188 192 HA LYS 610 HA LYS 610 -3.844 -1.546 -9.486 193 HB2 LYS 610 2HB LYS 610 -4.324 0.568 -7.382 194 HB3 LYS 610 1HB LYS 610 -5.357 0.184 -8.732 195 HG2 LYS 610 2HG LYS 610 -5.639 -2.138 -7.675 196 HG3 LYS 610 1HG LYS 610 -4.781 -1.452 -6.318 197 HD2 LYS 610 2HD LYS 610 -7.081 -1.305 -5.762 198 HD3 LYS 610 1HD LYS 610 -6.518 0.314 -6.135 199 HE2 LYS 610 2HE LYS 610 -8.019 -1.441 -8.078 200 HE3 LYS 610 1HE LYS 610 -8.798 -0.295 -6.997 201 HZ1 LYS 610 3HZ LYS 610 -7.557 1.490 -8.148 202 HZ2 LYS 610 1HZ LYS 610 -8.566 0.628 -9.161 203 HZ3 LYS 610 2HZ LYS 610 -6.951 0.344 -9.272 204 H LYS 611 H LYS 611 -3.459 -0.301 -11.199 205 HA LYS 611 HA LYS 611 -1.253 1.528 -11.128 206 HB2 LYS 611 2HB LYS 611 -1.743 1.906 -13.527 207 HB3 LYS 611 1HB LYS 611 -1.621 0.203 -13.126 208 HG2 LYS 611 2HG LYS 611 -4.076 0.043 -13.120 209 HG3 LYS 611 1HG LYS 611 -4.171 1.746 -13.575 210 HD2 LYS 611 2HD LYS 611 -2.930 1.259 -15.632 211 HD3 LYS 611 1HD LYS 611 -2.821 -0.435 -15.166 212 HE2 LYS 611 2HE LYS 611 -5.270 -0.590 -15.215 213 HE3 LYS 611 1HE LYS 611 -5.359 1.098 -15.711 214 HZ1 LYS 611 3HZ LYS 611 -4.141 0.517 -17.728 215 HZ2 LYS 611 1HZ LYS 611 -5.551 -0.398 -17.595 216 HZ3 LYS 611 2HZ LYS 611 -4.058 -1.088 -17.240 217 H ASP 612 H ASP 612 -4.528 1.730 -10.576 218 HA ASP 612 HA ASP 612 -4.893 4.555 -11.134 219 HB2 ASP 612 2HB ASP 612 -6.558 2.787 -9.331 220 HB3 ASP 612 1HB ASP 612 -7.045 4.310 -10.057 221 H ALA 613 H ALA 613 -3.741 2.518 -8.656 222 HA ALA 613 HA ALA 613 -2.948 2.688 -6.610 223 HB1 ALA 613 1HB ALA 613 -1.550 4.488 -7.518 224 HB2 ALA 613 2HB ALA 613 -1.971 4.791 -5.833 225 HB3 ALA 613 3HB ALA 613 -2.803 5.662 -7.120 226 H TYR 614 H TYR 614 -3.322 3.533 -4.427 227 HA TYR 614 HA TYR 614 -6.209 3.789 -3.988 228 HB2 TYR 614 2HB TYR 614 -3.960 3.052 -2.124 229 HB3 TYR 614 1HB TYR 614 -5.630 3.217 -1.612 230 HD1 TYR 614 2HD TYR 614 -3.329 1.287 -3.758 231 HD2 TYR 614 1HD TYR 614 -7.176 1.451 -1.957 232 HE1 TYR 614 2HE TYR 614 -3.711 -1.031 -4.378 233 HE2 TYR 614 1HE TYR 614 -7.563 -0.900 -2.580 234 HH TYR 614 HH TYR 614 -5.055 -2.898 -3.667 235 H LYS 615 H LYS 615 -7.072 5.813 -3.504 236 HA LYS 615 HA LYS 615 -5.306 7.816 -2.558 237 HB2 LYS 615 2HB LYS 615 -6.606 8.298 -4.405 238 HB3 LYS 615 1HB LYS 615 -8.027 7.543 -3.694 239 HG2 LYS 615 2HG LYS 615 -7.881 9.246 -1.916 240 HG3 LYS 615 1HG LYS 615 -6.712 10.096 -2.946 241 HD2 LYS 615 2HD LYS 615 -8.258 10.177 -4.708 242 HD3 LYS 615 1HD LYS 615 -9.347 9.126 -3.772 243 HE2 LYS 615 2HE LYS 615 -9.452 10.743 -2.042 244 HE3 LYS 615 1HE LYS 615 -8.414 11.839 -2.923 245 HZ1 LYS 615 3HZ LYS 615 -11.099 10.966 -3.882 246 HZ2 LYS 615 1HZ LYS 615 -10.118 12.160 -4.596 247 HZ3 LYS 615 2HZ LYS 615 -10.786 12.389 -3.035 248 H VAL 616 H VAL 616 -5.557 8.599 -0.537 249 HA VAL 616 HA VAL 616 -7.870 7.830 1.120 250 HB VAL 616 HB VAL 616 -5.010 8.088 2.107 251 HG13 VAL 616 1HG VAL 616 -7.477 7.114 3.523 252 HG21 VAL 616 2HG VAL 616 -5.162 6.089 0.737 253 H GLU 617 H GLU 617 -8.832 9.781 1.678 254 HA GLU 617 HA GLU 617 -6.969 12.025 1.798 255 HB2 GLU 617 2HB GLU 617 -8.818 13.558 1.183 256 HB3 GLU 617 1HB GLU 617 -8.399 12.416 -0.078 257 HG2 GLU 617 2HG GLU 617 -10.346 11.097 0.424 258 HG3 GLU 617 1HG GLU 617 -10.748 12.137 1.791 259 H THR 618 H THR 618 -6.799 13.206 3.531 260 HA THR 618 HA THR 618 -8.802 12.831 5.625 261 HB THR 618 HB THR 618 -6.968 13.171 7.292 262 HG1 THR 618 1HG THR 618 -5.297 13.128 4.993 263 HG21 THR 618 2HG THR 618 -6.418 10.917 5.355 264 H ASP 619 H ASP 619 -8.308 14.763 7.285 265 HA ASP 619 HA ASP 619 -8.975 17.132 5.854 266 HB2 ASP 619 2HB ASP 619 -8.381 16.725 8.789 267 HB3 ASP 619 1HB ASP 619 -8.982 18.225 8.089 268 H LYS 620 H LYS 620 -6.077 15.753 6.888 269 HA LYS 620 HA LYS 620 -4.586 18.276 6.910 270 HB2 LYS 620 2HB LYS 620 -3.524 15.467 7.073 271 HB3 LYS 620 1HB LYS 620 -2.668 16.945 7.446 272 HG2 LYS 620 2HG LYS 620 -4.080 17.286 9.365 273 HG3 LYS 620 1HG LYS 620 -4.984 15.812 8.982 274 HD2 LYS 620 2HD LYS 620 -2.845 14.550 9.095 275 HD3 LYS 620 1HD LYS 620 -2.053 16.020 9.652 276 HE2 LYS 620 2HE LYS 620 -4.328 14.617 10.943 277 HE3 LYS 620 1HE LYS 620 -2.642 14.528 11.467 278 HZ1 LYS 620 3HZ LYS 620 -3.886 16.100 12.820 279 HZ2 LYS 620 1HZ LYS 620 -4.334 16.999 11.475 280 HZ3 LYS 620 2HZ LYS 620 -2.706 16.901 11.938 281 H TYR 621 H TYR 621 -4.181 15.125 5.378 282 HA TYR 621 HA TYR 621 -3.174 16.466 2.932 283 HB2 TYR 621 2HB TYR 621 -2.022 13.905 4.038 284 HB3 TYR 621 1HB TYR 621 -1.386 14.932 2.769 285 HD1 TYR 621 2HD TYR 621 -0.468 17.227 3.486 286 HD2 TYR 621 1HD TYR 621 -1.303 14.114 6.236 287 HE1 TYR 621 2HE TYR 621 1.034 18.292 5.162 288 HE2 TYR 621 1HE TYR 621 0.172 15.153 7.903 289 HH TYR 621 HH TYR 621 2.049 16.671 7.986 290 H GLU 622 H GLU 622 -3.403 15.142 1.042 291 HA GLU 622 HA GLU 622 -5.124 12.811 1.417 292 HB2 GLU 622 2HB GLU 622 -5.691 12.951 -0.995 293 HB3 GLU 622 1HB GLU 622 -6.136 14.421 -0.151 294 HG2 GLU 622 2HG GLU 622 -4.270 15.584 -1.071 295 HG3 GLU 622 1HG GLU 622 -3.630 14.096 -1.779 296 H PHE 623 H PHE 623 -4.342 10.879 0.931 297 HA PHE 623 HA PHE 623 -1.493 10.798 0.197 298 HB2 PHE 623 2HB PHE 623 -3.130 8.757 1.708 299 HB3 PHE 623 1HB PHE 623 -1.399 8.731 1.447 300 HD1 PHE 623 2HD PHE 623 -4.138 10.220 3.340 301 HD2 PHE 623 1HD PHE 623 0.071 10.158 2.737 302 HE1 PHE 623 2HE PHE 623 -3.824 11.409 5.465 303 HE2 PHE 623 1HE PHE 623 0.389 11.345 4.867 304 HZ PHE 623 HZ PHE 623 -1.557 11.969 6.230 305 H HIS 624 H HIS 624 -0.868 9.356 -1.370 306 HA HIS 624 HA HIS 624 -2.945 7.636 -2.474 307 HB2 HIS 624 2HB HIS 624 -0.934 9.260 -4.087 308 HB3 HIS 624 1HB HIS 624 -2.021 8.057 -4.768 309 HD1 HIS 624 1HD HIS 624 -4.421 8.843 -5.328 310 HD2 HIS 624 2HD HIS 624 -2.248 11.685 -3.197 311 HE1 HIS 624 1HE HIS 624 -5.858 10.899 -5.258 312 HE2 HIS 624 2HE HIS 624 -4.544 12.610 -4.012 313 H ILE 625 H ILE 625 -2.345 5.602 -2.390 314 HA ILE 625 HA ILE 625 0.523 4.947 -2.005 315 HB ILE 625 HB ILE 625 -1.829 3.697 -0.538 316 HG12 ILE 625 1HG ILE 625 0.228 5.670 0.497 317 HG23 ILE 625 2HG ILE 625 -0.115 2.634 0.872 318 HD11 ILE 625 1HD ILE 625 -2.107 4.422 1.922 319 H ASN 626 H ASN 626 1.134 2.837 -2.739 320 HA ASN 626 HA ASN 626 -0.827 1.231 -4.173 321 HB2 ASN 626 2HB ASN 626 0.668 2.757 -5.739 322 HB3 ASN 626 1HB ASN 626 1.955 1.650 -5.280 323 HD21 ASN 626 2HD ASN 626 0.247 0.656 -8.462 324 H VAL 627 H VAL 627 -0.034 -0.995 -4.252 325 HA VAL 627 HA VAL 627 1.616 -1.544 -1.938 326 HB VAL 627 HB VAL 627 -0.014 -3.412 -3.693 327 HG13 VAL 627 1HG VAL 627 0.449 -5.178 -2.059 328 HG21 VAL 627 2HG VAL 627 -1.308 -3.590 -1.522 329 H CYS 628 H CYS 628 2.005 -1.396 -5.243 330 HA CYS 628 HA CYS 628 4.769 -2.280 -5.037 331 HB2 CYS 628 2HB CYS 628 2.850 -3.358 -7.100 332 HB3 CYS 628 1HB CYS 628 4.592 -3.557 -7.150 333 H GLY 629 H GLY 629 6.085 -1.160 -6.386 334 HA2 GLY 629 2HA GLY 629 6.744 0.251 -8.062 335 HA3 GLY 629 1HA GLY 629 5.148 0.061 -8.773 336 HA PRO 630 HA PRO 630 5.056 4.277 -7.120 337 HB2 PRO 630 2HB PRO 630 4.612 5.578 -9.367 338 HB3 PRO 630 1HB PRO 630 6.202 4.872 -9.048 339 HG2 PRO 630 2HG PRO 630 4.069 3.950 -10.904 340 HG3 PRO 630 1HG PRO 630 5.824 3.773 -11.036 341 HD2 PRO 630 2HD PRO 630 3.939 1.844 -10.047 342 HD3 PRO 630 1HD PRO 630 5.709 1.704 -10.106 343 H VAL 631 H VAL 631 3.390 5.943 -7.258 344 HA VAL 631 HA VAL 631 0.683 4.855 -7.661 345 HB VAL 631 HB VAL 631 -0.099 6.705 -6.206 346 HG13 VAL 631 1HG VAL 631 2.031 4.946 -5.065 347 HG21 VAL 631 2HG VAL 631 1.703 8.316 -6.615 348 H SER 632 H SER 632 -0.840 6.093 -8.735 349 HA SER 632 HA SER 632 0.367 8.087 -10.505 350 HB2 SER 632 2HB SER 632 -1.007 6.227 -11.499 351 HB3 SER 632 1HB SER 632 -2.407 6.858 -10.635 352 HG SER 632 HG SER 632 -0.963 7.946 -12.761 353 H VAL 633 H VAL 633 0.048 10.182 -10.144 354 HA VAL 633 HA VAL 633 -2.296 11.222 -8.773 355 HB VAL 633 HB VAL 633 0.461 11.997 -7.806 356 HG13 VAL 633 1HG VAL 633 -2.242 12.545 -6.626 357 HG21 VAL 633 2HG VAL 633 -1.392 10.102 -6.374 358 H GLY 634 H GLY 634 -2.642 13.359 -9.517 359 HA2 GLY 634 2HA GLY 634 -1.078 14.101 -11.820 360 HA3 GLY 634 1HA GLY 634 -2.509 14.913 -11.199 361 H ALA 635 H ALA 635 -0.284 14.423 -8.765 362 HA ALA 635 HA ALA 635 1.048 17.005 -9.196 363 HB1 ALA 635 1HB ALA 635 0.580 17.692 -6.902 364 HB2 ALA 635 2HB ALA 635 -0.337 16.214 -6.632 365 HB3 ALA 635 3HB ALA 635 -0.921 17.414 -7.787 366 H CYS 636 H CYS 636 1.690 13.914 -8.988 367 HA CYS 636 HA CYS 636 4.036 14.312 -7.293 368 HB2 CYS 636 2HB CYS 636 2.284 11.827 -7.201 369 HB3 CYS 636 1HB CYS 636 3.781 12.061 -6.332 370 HA PRO 637 HA PRO 637 6.182 12.491 -10.703 371 HB2 PRO 637 2HB PRO 637 8.240 11.236 -9.436 372 HB3 PRO 637 1HB PRO 637 8.165 12.991 -9.637 373 HG2 PRO 637 2HG PRO 637 7.449 11.321 -7.260 374 HG3 PRO 637 1HG PRO 637 8.346 12.848 -7.318 375 HD2 PRO 637 2HD PRO 637 5.749 12.743 -6.634 376 HD3 PRO 637 1HD PRO 637 6.423 14.115 -7.530 377 HA PRO 638 HA PRO 638 4.720 8.276 -10.972 378 HB2 PRO 638 2HB PRO 638 5.849 7.575 -13.297 379 HB3 PRO 638 1HB PRO 638 4.601 8.825 -13.241 380 HG2 PRO 638 2HG PRO 638 7.577 9.133 -13.381 381 HG3 PRO 638 1HG PRO 638 6.329 9.974 -14.317 382 HD2 PRO 638 2HD PRO 638 7.529 11.052 -12.122 383 HD3 PRO 638 1HD PRO 638 5.869 11.447 -12.609 384 H ASP 639 H ASP 639 7.152 8.799 -9.399 385 HA ASP 639 HA ASP 639 8.375 6.143 -9.629 386 HB2 ASP 639 2HB ASP 639 9.821 7.974 -10.694 387 HB3 ASP 639 1HB ASP 639 10.015 8.619 -9.067 388 H SER 640 H SER 640 6.496 7.949 -7.906 389 HA SER 640 HA SER 640 7.725 7.374 -5.315 390 HB2 SER 640 2HB SER 640 7.150 9.735 -5.658 391 HB3 SER 640 1HB SER 640 5.501 9.286 -6.089 392 HG SER 640 HG SER 640 6.769 9.190 -3.555 393 H GLY 641 H GLY 641 6.704 5.898 -4.004 394 HA2 GLY 641 2HA GLY 641 4.303 4.658 -5.134 395 HA3 GLY 641 1HA GLY 641 5.364 3.878 -3.986 396 H ALA 642 H ALA 642 5.207 6.800 -2.752 397 HA ALA 642 HA ALA 642 2.490 6.789 -1.731 398 HB1 ALA 642 1HB ALA 642 3.255 6.965 0.607 399 HB2 ALA 642 2HB ALA 642 4.915 6.702 0.078 400 HB3 ALA 642 3HB ALA 642 3.719 5.420 -0.106 401 H CYS 643 H CYS 643 1.797 8.821 -1.851 402 HA CYS 643 HA CYS 643 3.649 11.026 -1.377 403 HB2 CYS 643 2HB CYS 643 3.747 10.534 -3.817 404 HB3 CYS 643 1HB CYS 643 2.022 10.783 -3.916 405 H GLN 644 H GLN 644 2.720 12.783 -0.486 406 HA GLN 644 HA GLN 644 -0.190 12.676 -0.138 407 HB2 GLN 644 2HB GLN 644 0.098 13.732 2.064 408 HB3 GLN 644 1HB GLN 644 0.888 12.163 1.999 409 HG2 GLN 644 2HG GLN 644 3.061 13.408 1.658 410 HG3 GLN 644 1HG GLN 644 2.130 14.881 1.869 411 HE21 GLN 644 2HE GLN 644 3.141 14.603 5.230 412 H VAL 645 H VAL 645 -1.282 14.380 -0.626 413 HA VAL 645 HA VAL 645 0.155 16.861 -1.259 414 HB VAL 645 HB VAL 645 -2.597 15.973 -2.222 415 HG13 VAL 645 1HG VAL 645 -2.411 18.393 -2.075 416 HG21 VAL 645 2HG VAL 645 -0.845 14.607 -3.236 417 H SER 646 H SER 646 -0.229 18.496 0.050 418 HA SER 646 HA SER 646 -1.858 18.097 2.378 419 HB2 SER 646 2HB SER 646 0.249 19.338 2.536 420 HB3 SER 646 1HB SER 646 -0.366 20.536 1.405 421 HG SER 646 HG SER 646 -0.855 20.234 4.096 422 H ARG 647 H ARG 647 -3.783 18.936 2.844 423 HA ARG 647 HA ARG 647 -5.121 20.341 0.675 424 HB2 ARG 647 2HB ARG 647 -6.275 19.038 3.142 425 HB3 ARG 647 1HB ARG 647 -7.199 19.745 1.824 426 HG2 ARG 647 2HG ARG 647 -6.197 18.079 0.298 427 HG3 ARG 647 1HG ARG 647 -5.417 17.332 1.692 428 HD2 ARG 647 2HD ARG 647 -7.435 16.133 1.177 429 HD3 ARG 647 1HD ARG 647 -7.648 16.994 2.701 430 HE ARG 647 HE ARG 647 -8.653 18.729 0.938 431 HH12 ARG 647 1HH ARG 647 -10.795 15.281 0.880 432 HH21 ARG 647 2HH ARG 647 -11.691 17.249 -0.079 433 H SER 648 H SER 648 -3.838 20.668 3.846 434 HA SER 648 HA SER 648 -5.291 23.070 4.447 435 HB2 SER 648 2HB SER 648 -2.881 21.850 5.797 436 HB3 SER 648 1HB SER 648 -3.957 23.073 6.473 437 HG SER 648 HG SER 648 -5.578 21.266 5.795 438 H ASP 649 H ASP 649 -1.954 22.228 3.407 439 HA ASP 649 HA ASP 649 -1.383 25.121 3.172 440 HB2 ASP 649 2HB ASP 649 0.075 23.765 4.655 441 HB3 ASP 649 1HB ASP 649 0.539 22.788 3.272 442 H ARG 650 H ARG 650 -2.062 22.391 1.391 443 HA ARG 650 HA ARG 650 -2.187 21.842 -0.781 444 HB2 ARG 650 2HB ARG 650 -1.738 24.789 -1.169 445 HB3 ARG 650 1HB ARG 650 -1.942 23.701 -2.525 446 HG2 ARG 650 2HG ARG 650 -4.060 24.680 -2.133 447 HG3 ARG 650 1HG ARG 650 -4.071 23.014 -1.530 448 HD2 ARG 650 2HD ARG 650 -3.919 23.758 0.747 449 HD3 ARG 650 1HD ARG 650 -3.702 25.437 0.248 450 HE ARG 650 HE ARG 650 -6.083 24.429 -0.829 451 HH12 ARG 650 1HH ARG 650 -6.365 25.829 2.959 452 HH21 ARG 650 2HH ARG 650 -8.272 25.633 1.647 453 H LYS 651 H LYS 651 0.528 21.952 0.549 454 HA LYS 651 HA LYS 651 2.246 21.865 -1.804 455 HB2 LYS 651 2HB LYS 651 2.849 21.096 1.023 456 HB3 LYS 651 1HB LYS 651 4.001 20.971 -0.294 457 HG2 LYS 651 2HG LYS 651 3.509 23.423 -0.677 458 HG3 LYS 651 1HG LYS 651 2.809 23.372 0.950 459 HD2 LYS 651 2HD LYS 651 4.897 22.451 1.804 460 HD3 LYS 651 1HD LYS 651 5.590 22.553 0.182 461 HE2 LYS 651 2HE LYS 651 6.335 24.452 1.138 462 HE3 LYS 651 1HE LYS 651 4.887 24.929 0.261 463 HZ1 LYS 651 3HZ LYS 651 4.884 25.931 2.500 464 HZ2 LYS 651 1HZ LYS 651 4.899 24.391 3.171 465 HZ3 LYS 651 2HZ LYS 651 3.576 24.884 2.266 466 H SER 652 H SER 652 3.808 19.743 -1.679 467 HA SER 652 HA SER 652 2.220 17.346 -1.281 468 HB2 SER 652 2HB SER 652 2.917 16.535 -3.550 469 HB3 SER 652 1HB SER 652 1.798 17.901 -3.607 470 HG SER 652 HG SER 652 4.444 18.608 -3.488 471 H TRP 653 H TRP 653 3.504 15.598 -0.751 472 HA TRP 653 HA TRP 653 6.452 15.842 -0.889 473 HB2 TRP 653 2HB TRP 653 4.971 15.166 1.660 474 HB3 TRP 653 1HB TRP 653 6.708 15.195 1.426 475 HD1 TRP 653 HD TRP 653 7.844 17.695 1.248 476 HE1 TRP 653 1HE TRP 653 7.052 19.934 2.270 477 HE3 TRP 653 3HE TRP 653 3.020 16.488 2.208 478 HZ2 TRP 653 2HZ TRP 653 4.694 21.023 3.341 479 HZ3 TRP 653 3HZ TRP 653 1.559 18.114 3.214 480 HH2 TRP 653 HH TRP 653 2.363 20.378 3.783 481 H ASN 654 H ASN 654 7.501 14.090 -0.762 482 HA ASN 654 HA ASN 654 6.060 11.766 -1.730 483 HB2 ASN 654 2HB ASN 654 8.005 12.940 -2.861 484 HB3 ASN 654 1HB ASN 654 8.993 12.381 -1.530 485 HD21 ASN 654 2HD ASN 654 9.092 10.283 -4.613 486 H LEU 655 H LEU 655 5.847 10.019 -0.301 487 HA LEU 655 HA LEU 655 7.316 10.308 2.232 488 HB2 LEU 655 2HB LEU 655 4.921 8.546 1.798 489 HB3 LEU 655 1HB LEU 655 5.733 8.936 3.294 490 HG LEU 655 HG LEU 655 4.891 11.343 2.908 491 HD13 LEU 655 1HD LEU 655 2.891 11.450 1.713 492 HD21 LEU 655 2HD LEU 655 2.968 9.106 3.428 493 H GLY 656 H GLY 656 7.508 8.757 -0.573 494 HA2 GLY 656 2HA GLY 656 9.512 7.152 0.197 495 HA3 GLY 656 1HA GLY 656 8.075 6.169 0.370 496 H ARG 657 H ARG 657 10.448 6.516 -1.472 497 HA ARG 657 HA ARG 657 9.328 7.025 -4.052 498 HB2 ARG 657 2HB ARG 657 11.646 7.586 -3.225 499 HB3 ARG 657 1HB ARG 657 12.008 5.871 -3.303 500 HG2 ARG 657 2HG ARG 657 11.731 5.849 -5.616 501 HG3 ARG 657 1HG ARG 657 11.130 7.525 -5.643 502 HD2 ARG 657 2HD ARG 657 13.325 8.177 -4.630 503 HD3 ARG 657 1HD ARG 657 13.870 6.528 -4.919 504 HE ARG 657 HE ARG 657 12.967 7.344 -7.319 505 HH12 ARG 657 1HH ARG 657 16.260 9.420 -6.121 506 HH21 ARG 657 2HH ARG 657 15.786 9.154 -8.458 507 H SER 658 H SER 658 9.192 5.366 -5.732 508 HA SER 658 HA SER 658 7.655 3.289 -4.866 509 HB2 SER 658 2HB SER 658 7.813 2.397 -7.152 510 HB3 SER 658 1HB SER 658 7.346 4.078 -7.006 511 HG SER 658 HG SER 658 9.203 3.151 -8.509 512 H ASN 659 H ASN 659 7.741 1.138 -4.589 513 HA ASN 659 HA ASN 659 10.170 -0.315 -4.659 514 HB2 ASN 659 2HB ASN 659 10.434 0.989 -2.658 515 HB3 ASN 659 1HB ASN 659 8.762 0.678 -2.205 516 HD21 ASN 659 2HD ASN 659 9.971 -1.666 -0.133 517 H ALA 660 H ALA 660 9.562 -2.534 -4.259 518 HA ALA 660 HA ALA 660 6.681 -3.056 -3.937 519 HB1 ALA 660 1HB ALA 660 8.503 -4.535 -5.829 520 HB2 ALA 660 2HB ALA 660 7.286 -3.349 -6.300 521 HB3 ALA 660 3HB ALA 660 6.790 -4.872 -5.560 522 H LYS 661 H LYS 661 9.356 -3.275 -2.289 523 HA LYS 661 HA LYS 661 9.380 -6.046 -1.580 524 HB2 LYS 661 2HB LYS 661 10.764 -3.656 -0.396 525 HB3 LYS 661 1HB LYS 661 10.751 -5.181 0.457 526 HG2 LYS 661 2HG LYS 661 12.834 -4.931 -0.724 527 HG3 LYS 661 1HG LYS 661 11.911 -6.231 -1.461 528 HD2 LYS 661 2HD LYS 661 11.256 -4.721 -3.268 529 HD3 LYS 661 1HD LYS 661 12.154 -3.409 -2.508 530 HE2 LYS 661 2HE LYS 661 14.225 -4.731 -2.709 531 HE3 LYS 661 1HE LYS 661 13.321 -6.004 -3.527 532 HZ1 LYS 661 3HZ LYS 661 13.730 -3.230 -4.489 533 HZ2 LYS 661 1HZ LYS 661 12.793 -4.385 -5.278 534 HZ3 LYS 661 2HZ LYS 661 14.443 -4.618 -5.122 535 H LEU 662 H LEU 662 8.056 -7.066 -0.375 536 HA LEU 662 HA LEU 662 6.338 -5.609 1.494 537 HB2 LEU 662 2HB LEU 662 6.231 -8.396 0.364 538 HB3 LEU 662 1HB LEU 662 5.077 -7.797 1.562 539 HG LEU 662 HG LEU 662 5.433 -7.021 -1.326 540 HD13 LEU 662 1HD LEU 662 4.305 -9.115 -0.954 541 HD21 LEU 662 2HD LEU 662 3.524 -5.567 -1.029 542 H SER 663 H SER 663 6.552 -5.965 3.668 543 HA SER 663 HA SER 663 8.547 -7.933 4.518 544 HB2 SER 663 2HB SER 663 7.513 -5.453 5.912 545 HB3 SER 663 1HB SER 663 8.792 -6.520 6.504 546 HG SER 663 HG SER 663 9.048 -5.533 3.950 547 H TYR 664 H TYR 664 7.962 -9.279 6.363 548 HA TYR 664 HA TYR 664 5.038 -9.354 6.833 549 HB2 TYR 664 2HB TYR 664 6.301 -11.240 5.463 550 HB3 TYR 664 1HB TYR 664 6.848 -11.713 7.040 551 HD1 TYR 664 2HD TYR 664 3.575 -10.691 5.555 552 HD2 TYR 664 1HD TYR 664 5.707 -13.523 7.922 553 HE1 TYR 664 2HE TYR 664 1.555 -11.975 5.789 554 HE2 TYR 664 1HE TYR 664 3.653 -14.842 8.165 555 HH TYR 664 HH TYR 664 0.882 -14.310 6.295 556 H TYR 665 H TYR 665 4.686 -8.753 8.900 557 HA TYR 665 HA TYR 665 6.809 -9.230 10.840 558 HB2 TYR 665 2HB TYR 665 5.757 -6.932 10.678 559 HB3 TYR 665 1HB TYR 665 4.257 -7.648 11.247 560 HD1 TYR 665 1HD TYR 665 7.764 -6.950 12.162 561 HD2 TYR 665 2HD TYR 665 3.898 -7.990 13.590 562 HE1 TYR 665 1HE TYR 665 8.522 -6.567 14.464 563 HE2 TYR 665 2HE TYR 665 4.648 -7.606 15.902 564 HH TYR 665 HH TYR 665 6.829 -7.594 17.166 565 H ASP 666 H ASP 666 6.396 -11.365 10.558 566 HA ASP 666 HA ASP 666 5.417 -13.371 10.784 567 HB2 ASP 666 2HB ASP 666 6.767 -12.959 12.856 568 HB3 ASP 666 1HB ASP 666 5.266 -12.536 13.678 569 H GLY 667 H GLY 667 3.593 -12.831 9.576 570 HA2 GLY 667 2HA GLY 667 1.382 -13.873 9.638 571 HA3 GLY 667 1HA GLY 667 1.189 -13.092 11.198 572 H MET 668 H MET 668 2.149 -10.503 10.465 573 HA MET 668 HA MET 668 -0.072 -9.649 8.733 574 HB2 MET 668 2HB MET 668 1.553 -8.100 10.749 575 HB3 MET 668 1HB MET 668 0.258 -7.425 9.773 576 HG2 MET 668 2HG MET 668 -1.348 -8.886 10.862 577 HG3 MET 668 1HG MET 668 -0.059 -9.633 11.799 578 HE1 MET 668 3HE MET 668 1.083 -6.666 14.107 579 HE2 MET 668 1HE MET 668 1.762 -7.048 12.525 580 HE3 MET 668 2HE MET 668 1.357 -8.341 13.657 581 H ILE 669 H ILE 669 0.353 -8.533 6.871 582 HA ILE 669 HA ILE 669 3.123 -8.415 6.026 583 HB ILE 669 HB ILE 669 0.649 -7.477 4.540 584 HG12 ILE 669 1HG ILE 669 1.151 -9.304 2.981 585 HG23 ILE 669 2HG ILE 669 2.063 -7.381 2.513 586 HD11 ILE 669 1HD ILE 669 0.258 -10.250 5.692 587 H GLN 670 H GLN 670 4.309 -6.613 5.805 588 HA GLN 670 HA GLN 670 3.008 -4.058 6.382 589 HB2 GLN 670 2HB GLN 670 5.842 -4.780 7.154 590 HB3 GLN 670 1HB GLN 670 5.045 -3.241 7.439 591 HG2 GLN 670 2HG GLN 670 3.411 -4.446 8.871 592 HG3 GLN 670 1HG GLN 670 4.403 -5.889 8.665 593 HE21 GLN 670 2HE GLN 670 5.461 -2.980 11.233 594 H LEU 671 H LEU 671 3.324 -2.637 4.957 595 HA LEU 671 HA LEU 671 5.182 -3.170 2.703 596 HB2 LEU 671 2HB LEU 671 2.874 -3.053 1.966 597 HB3 LEU 671 1HB LEU 671 2.646 -1.526 2.798 598 HG LEU 671 HG LEU 671 4.227 -0.475 1.177 599 HD13 LEU 671 1HD LEU 671 4.049 -3.127 -0.226 600 HD21 LEU 671 2HD LEU 671 2.695 -0.476 -0.689 601 H THR 672 H THR 672 6.843 -1.876 2.602 602 HA THR 672 HA THR 672 6.662 0.607 4.165 603 HB THR 672 HB THR 672 9.114 -1.155 3.994 604 HG1 THR 672 1HG THR 672 6.847 -1.245 5.518 605 HG21 THR 672 2HG THR 672 8.388 1.191 5.774 606 H TYR 673 H TYR 673 7.031 2.317 3.039 607 HA TYR 673 HA TYR 673 8.771 2.125 0.687 608 HB2 TYR 673 2HB TYR 673 6.641 4.174 1.328 609 HB3 TYR 673 1HB TYR 673 7.875 4.374 0.083 610 HD1 TYR 673 1HD TYR 673 8.098 2.546 -1.631 611 HD2 TYR 673 2HD TYR 673 4.622 3.119 0.727 612 HE1 TYR 673 1HE TYR 673 6.802 1.401 -3.314 613 HE2 TYR 673 2HE TYR 673 3.286 1.925 -0.966 614 HH TYR 673 HH TYR 673 4.614 0.044 -3.385 615 H ARG 674 H ARG 674 10.609 3.312 0.512 616 HA ARG 674 HA ARG 674 11.357 4.977 2.822 617 HB2 ARG 674 2HB ARG 674 13.084 3.164 1.122 618 HB3 ARG 674 1HB ARG 674 13.688 4.248 2.356 619 HG2 ARG 674 2HG ARG 674 11.847 1.912 2.826 620 HG3 ARG 674 1HG ARG 674 13.590 1.931 3.101 621 HD2 ARG 674 2HD ARG 674 13.280 3.733 4.757 622 HD3 ARG 674 1HD ARG 674 11.537 3.646 4.507 623 HE ARG 674 HE ARG 674 12.360 1.102 5.120 624 HH12 ARG 674 1HH ARG 674 12.301 3.593 8.332 625 HH21 ARG 674 2HH ARG 674 12.206 1.239 8.631 626 H ASP 675 H ASP 675 13.384 6.289 2.099 627 HA ASP 675 HA ASP 675 14.410 7.907 0.873 628 HB2 ASP 675 2HB ASP 675 14.374 6.185 -1.093 629 HB3 ASP 675 1HB ASP 675 12.910 6.985 -1.598 630 H GLY 676 H GLY 676 11.508 7.989 1.910 631 HA2 GLY 676 2HA GLY 676 10.109 9.943 0.499 632 HA3 GLY 676 1HA GLY 676 9.952 9.603 2.213 633 H THR 677 H THR 677 9.626 12.101 1.391 634 HA THR 677 HA THR 677 11.954 13.709 1.390 635 HB THR 677 HB THR 677 9.061 14.391 1.970 636 HG1 THR 677 1HG THR 677 10.456 13.750 -0.289 637 HG21 THR 677 2HG THR 677 10.592 16.209 2.620 638 HA PRO 678 HA PRO 678 12.371 13.511 5.927 639 HB2 PRO 678 2HB PRO 678 14.487 15.458 5.516 640 HB3 PRO 678 1HB PRO 678 14.601 13.829 6.195 641 HG2 PRO 678 2HG PRO 678 15.640 14.426 3.805 642 HG3 PRO 678 1HG PRO 678 14.870 12.856 4.136 643 HD2 PRO 678 2HD PRO 678 13.749 15.244 2.717 644 HD3 PRO 678 1HD PRO 678 13.675 13.515 2.281 645 H TYR 679 H TYR 679 11.588 14.827 7.490 646 HA TYR 679 HA TYR 679 11.836 17.655 7.150 647 HB2 TYR 679 2HB TYR 679 9.571 18.241 7.560 648 HB3 TYR 679 1HB TYR 679 9.651 17.199 6.161 649 HD1 TYR 679 2HD TYR 679 9.066 14.731 6.629 650 HD2 TYR 679 1HD TYR 679 8.107 17.915 9.156 651 HE1 TYR 679 2HE TYR 679 7.138 13.362 7.572 652 HE2 TYR 679 1HE TYR 679 6.220 16.632 10.150 653 HH TYR 679 HH TYR 679 5.894 13.387 9.839 654 H ASN 680 H ASN 680 12.664 15.317 8.927 655 HA ASN 680 HA ASN 680 12.423 16.784 11.445 656 HB2 ASN 680 2HB ASN 680 12.068 13.786 11.132 657 HB3 ASN 680 1HB ASN 680 12.283 14.601 12.662 658 HD21 ASN 680 2HD ASN 680 8.878 16.123 11.908 659 H ASN 681 H ASN 681 14.183 16.303 12.891 660 HA ASN 681 HA ASN 681 16.251 15.786 13.568 661 HB2 ASN 681 2HB ASN 681 15.773 13.450 12.907 662 HB3 ASN 681 1HB ASN 681 16.290 13.798 11.269 663 HD21 ASN 681 2HD ASN 681 19.657 13.329 11.987 664 H GLU 682 H GLU 682 18.389 16.477 13.284 665 HA GLU 682 HA GLU 682 18.646 18.702 11.569 666 HB2 GLU 682 2HB GLU 682 19.741 18.531 13.750 667 HB3 GLU 682 1HB GLU 682 20.761 17.237 13.148 668 HG2 GLU 682 2HG GLU 682 21.777 18.798 11.553 669 HG3 GLU 682 1HG GLU 682 20.763 20.091 12.186 670 H LYS 683 H LYS 683 20.059 15.473 11.385 671 HA LYS 683 HA LYS 683 21.539 15.927 8.951 672 HB2 LYS 683 2HB LYS 683 22.144 14.159 10.557 673 HB3 LYS 683 1HB LYS 683 20.591 13.388 10.285 674 HG2 LYS 683 2HG LYS 683 21.304 13.009 7.906 675 HG3 LYS 683 1HG LYS 683 22.896 13.622 8.351 676 HD2 LYS 683 2HD LYS 683 22.859 11.170 8.409 677 HD3 LYS 683 1HD LYS 683 23.121 11.829 10.023 678 HE2 LYS 683 2HE LYS 683 20.746 11.489 10.553 679 HE3 LYS 683 1HE LYS 683 20.468 10.864 8.927 680 HZ1 LYS 683 3HZ LYS 683 22.209 9.654 10.999 681 HZ2 LYS 683 1HZ LYS 683 21.925 9.019 9.456 682 HZ3 LYS 683 2HZ LYS 683 20.668 9.135 10.573 683 H ARG 684 H ARG 684 18.315 15.692 9.646 684 HA ARG 684 HA ARG 684 16.408 15.392 8.593 685 HB2 ARG 684 2HB ARG 684 18.112 15.457 6.119 686 HB3 ARG 684 1HB ARG 684 16.373 15.279 6.045 687 HG2 ARG 684 2HG ARG 684 16.169 17.445 7.247 688 HG3 ARG 684 1HG ARG 684 17.923 17.615 7.145 689 HD2 ARG 684 2HD ARG 684 17.807 17.542 4.724 690 HD3 ARG 684 1HD ARG 684 16.064 17.288 4.792 691 HE ARG 684 HE ARG 684 17.018 19.667 6.092 692 HH12 ARG 684 1HH ARG 684 15.275 19.790 2.438 693 HH21 ARG 684 2HH ARG 684 15.569 21.795 3.697 694 H THR 685 H THR 685 15.428 13.650 9.148 695 HA THR 685 HA THR 685 16.348 11.165 7.980 696 HB THR 685 HB THR 685 16.067 11.097 10.438 697 HG1 THR 685 1HG THR 685 13.945 9.482 9.887 698 HG21 THR 685 2HG THR 685 13.136 11.661 9.913 699 HA PRO 686 HA PRO 686 13.142 11.656 4.929 700 HB2 PRO 686 2HB PRO 686 13.487 8.756 4.524 701 HB3 PRO 686 1HB PRO 686 13.667 10.095 3.379 702 HG2 PRO 686 2HG PRO 686 15.801 8.766 4.326 703 HG3 PRO 686 1HG PRO 686 15.854 10.503 3.984 704 HD2 PRO 686 2HD PRO 686 15.616 9.094 6.607 705 HD3 PRO 686 1HD PRO 686 16.512 10.570 6.167 706 H ARG 687 H ARG 687 10.991 11.523 5.042 707 HA ARG 687 HA ARG 687 9.760 10.088 7.171 708 HB2 ARG 687 2HB ARG 687 7.702 10.993 6.425 709 HB3 ARG 687 1HB ARG 687 8.879 12.254 6.097 710 HG2 ARG 687 2HG ARG 687 8.946 11.445 3.721 711 HG3 ARG 687 1HG ARG 687 7.619 10.357 4.153 712 HD2 ARG 687 2HD ARG 687 6.713 12.305 3.108 713 HD3 ARG 687 1HD ARG 687 6.271 12.373 4.812 714 HE ARG 687 HE ARG 687 8.696 13.695 4.038 715 HH12 ARG 687 1HH ARG 687 5.422 15.824 5.011 716 HH21 ARG 687 2HH ARG 687 7.387 16.939 4.511 717 H ALA 688 H ALA 688 8.296 8.318 6.881 718 HA ALA 688 HA ALA 688 8.763 6.819 4.414 719 HB1 ALA 688 1HB ALA 688 10.362 5.996 6.069 720 HB2 ALA 688 2HB ALA 688 9.146 4.773 5.705 721 HB3 ALA 688 3HB ALA 688 9.045 5.701 7.204 722 H THR 689 H THR 689 7.227 5.115 4.137 723 HA THR 689 HA THR 689 4.718 5.530 5.619 724 HB THR 689 HB THR 689 5.037 4.800 2.693 725 HG1 THR 689 1HG THR 689 5.314 7.050 3.760 726 HG21 THR 689 2HG THR 689 2.571 5.390 4.336 727 H LEU 690 H LEU 690 4.105 3.700 6.704 728 HA LEU 690 HA LEU 690 4.855 1.268 5.447 729 HB2 LEU 690 2HB LEU 690 6.433 1.602 7.250 730 HB3 LEU 690 1HB LEU 690 5.140 1.912 8.384 731 HG LEU 690 HG LEU 690 5.309 -0.706 6.989 732 HD13 LEU 690 1HD LEU 690 7.515 -0.337 8.001 733 HD21 LEU 690 2HD LEU 690 4.219 -1.524 9.032 734 H ILE 691 H ILE 691 3.166 0.165 5.021 735 HA ILE 691 HA ILE 691 0.600 0.722 6.318 736 HB ILE 691 HB ILE 691 1.183 -1.073 3.937 737 HG12 ILE 691 1HG ILE 691 0.027 0.574 2.547 738 HG23 ILE 691 2HG ILE 691 -1.167 -1.171 3.569 739 HD11 ILE 691 1HD ILE 691 2.439 1.792 3.825 740 H THR 692 H THR 692 -0.322 -0.778 7.667 741 HA THR 692 HA THR 692 1.065 -3.341 7.919 742 HB THR 692 HB THR 692 -0.774 -1.996 9.932 743 HG1 THR 692 1HG THR 692 1.792 -1.561 9.194 744 HG21 THR 692 2HG THR 692 1.260 -4.246 10.199 745 H PHE 693 H PHE 693 -0.050 -5.003 7.045 746 HA PHE 693 HA PHE 693 -2.829 -4.633 6.295 747 HB2 PHE 693 2HB PHE 693 -0.853 -6.838 5.652 748 HB3 PHE 693 1HB PHE 693 -2.510 -6.813 5.093 749 HD1 PHE 693 1HD PHE 693 0.588 -4.741 4.992 750 HD2 PHE 693 2HD PHE 693 -2.982 -5.901 3.026 751 HE1 PHE 693 1HE PHE 693 1.247 -3.413 3.016 752 HE2 PHE 693 2HE PHE 693 -2.325 -4.590 1.042 753 HZ PHE 693 HZ PHE 693 -0.202 -3.354 1.043 754 H LEU 694 H LEU 694 -4.310 -5.161 7.642 755 HA LEU 694 HA LEU 694 -3.934 -7.483 9.395 756 HB2 LEU 694 2HB LEU 694 -5.830 -5.132 9.739 757 HB3 LEU 694 1HB LEU 694 -5.831 -6.551 10.751 758 HG LEU 694 HG LEU 694 -3.479 -5.906 11.457 759 HD13 LEU 694 1HD LEU 694 -2.820 -3.582 11.204 760 HD21 LEU 694 2HD LEU 694 -5.737 -4.022 12.108 761 H CYS 695 H CYS 695 -5.785 -8.856 9.592 762 HA CYS 695 HA CYS 695 -7.313 -8.820 7.091 763 HB2 CYS 695 2HB CYS 695 -5.724 -10.689 7.423 764 HB3 CYS 695 1HB CYS 695 -6.590 -11.197 8.846 765 H ASP 696 H ASP 696 -8.004 -7.397 9.534 766 HA ASP 696 HA ASP 696 -10.221 -8.858 10.690 767 HB2 ASP 696 2HB ASP 696 -8.993 -7.338 12.138 768 HB3 ASP 696 1HB ASP 696 -9.358 -5.980 11.085 769 H ARG 697 H ARG 697 -12.059 -9.109 9.797 770 HA ARG 697 HA ARG 697 -13.984 -8.801 8.678 771 HB2 ARG 697 2HB ARG 697 -13.118 -5.913 8.532 772 HB3 ARG 697 1HB ARG 697 -14.684 -6.484 7.984 773 HG2 ARG 697 2HG ARG 697 -15.286 -7.110 10.237 774 HG3 ARG 697 1HG ARG 697 -13.669 -6.698 10.816 775 HD2 ARG 697 2HD ARG 697 -14.013 -4.378 10.194 776 HD3 ARG 697 1HD ARG 697 -15.599 -4.763 9.540 777 HE ARG 697 HE ARG 697 -16.055 -5.515 11.933 778 HH12 ARG 697 1HH ARG 697 -14.295 -1.894 12.502 779 HH21 ARG 697 2HH ARG 697 -15.886 -2.676 14.040 780 H ASP 698 H ASP 698 -14.724 -7.651 6.402 781 HA ASP 698 HA ASP 698 -12.571 -8.312 4.543 782 HB2 ASP 698 2HB ASP 698 -14.287 -9.213 2.976 783 HB3 ASP 698 1HB ASP 698 -14.111 -10.156 4.448 784 H ALA 699 H ALA 699 -12.157 -6.967 3.010 785 HA ALA 699 HA ALA 699 -14.096 -4.918 2.266 786 HB1 ALA 699 1HB ALA 699 -11.245 -4.372 3.119 787 HB2 ALA 699 2HB ALA 699 -12.698 -3.896 3.993 788 HB3 ALA 699 3HB ALA 699 -12.346 -3.178 2.420 789 H GLY 700 H GLY 700 -12.755 -7.438 1.199 790 HA2 GLY 700 2HA GLY 700 -12.044 -8.194 -0.815 791 HA3 GLY 700 1HA GLY 700 -12.312 -6.579 -1.471 792 H VAL 701 H VAL 701 -10.512 -5.583 -2.195 793 HA VAL 701 HA VAL 701 -7.965 -6.599 -1.649 794 HB VAL 701 HB VAL 701 -7.137 -4.564 -2.750 795 HG13 VAL 701 1HG VAL 701 -9.373 -5.997 -4.194 796 HG21 VAL 701 2HG VAL 701 -8.832 -2.964 -2.071 797 H GLY 702 H GLY 702 -9.869 -4.142 -0.246 798 HA2 GLY 702 2HA GLY 702 -9.590 -3.520 2.049 799 HA3 GLY 702 1HA GLY 702 -7.875 -3.874 1.885 800 H PHE 703 H PHE 703 -9.202 -1.517 2.869 801 HA PHE 703 HA PHE 703 -8.108 0.404 0.960 802 HB2 PHE 703 2HB PHE 703 -10.541 0.677 1.203 803 HB3 PHE 703 1HB PHE 703 -10.366 0.799 2.949 804 HD1 PHE 703 2HD PHE 703 -9.329 2.423 -0.211 805 HD2 PHE 703 1HD PHE 703 -10.084 2.888 3.943 806 HE1 PHE 703 2HE PHE 703 -9.038 4.840 -0.433 807 HE2 PHE 703 1HE PHE 703 -9.792 5.318 3.728 808 HZ PHE 703 HZ PHE 703 -9.263 6.299 1.521 809 HA PRO 704 HA PRO 704 -5.311 1.137 4.368 810 HB2 PRO 704 2HB PRO 704 -3.952 3.218 3.258 811 HB3 PRO 704 1HB PRO 704 -3.644 1.536 2.824 812 HG2 PRO 704 2HG PRO 704 -5.199 3.614 1.359 813 HG3 PRO 704 1HG PRO 704 -4.155 2.338 0.720 814 HD2 PRO 704 2HD PRO 704 -6.893 2.212 0.759 815 HD3 PRO 704 1HD PRO 704 -5.837 0.787 0.751 816 H GLU 705 H GLU 705 -5.544 2.354 6.084 817 HA GLU 705 HA GLU 705 -6.950 4.911 5.860 818 HB2 GLU 705 2HB GLU 705 -7.176 2.756 7.924 819 HB3 GLU 705 1HB GLU 705 -7.879 4.365 8.157 820 HG2 GLU 705 2HG GLU 705 -9.191 3.961 6.044 821 HG3 GLU 705 1HG GLU 705 -8.569 2.321 6.051 822 H TYR 706 H TYR 706 -6.220 6.571 7.102 823 HA TYR 706 HA TYR 706 -3.434 6.372 7.708 824 HB2 TYR 706 2HB TYR 706 -4.318 8.276 6.438 825 HB3 TYR 706 1HB TYR 706 -5.303 8.742 7.811 826 HD1 TYR 706 1HD TYR 706 -1.707 7.726 7.638 827 HD2 TYR 706 2HD TYR 706 -4.500 10.822 8.504 828 HE1 TYR 706 1HE TYR 706 0.116 9.138 8.432 829 HE2 TYR 706 2HE TYR 706 -2.674 12.252 9.294 830 HH TYR 706 HH TYR 706 0.594 11.552 8.748 831 H GLN 707 H GLN 707 -2.481 6.237 9.573 832 HA GLN 707 HA GLN 707 -3.885 5.786 12.013 833 HB2 GLN 707 2HB GLN 707 -1.004 5.983 11.236 834 HB3 GLN 707 1HB GLN 707 -1.500 5.763 12.912 835 HG2 GLN 707 2HG GLN 707 -2.536 3.951 10.796 836 HG3 GLN 707 1HG GLN 707 -0.932 3.679 11.469 837 HE21 GLN 707 2HE GLN 707 -2.022 2.527 14.510 838 H GLU 708 H GLU 708 -2.135 8.471 10.643 839 HA GLU 708 HA GLU 708 -2.037 10.657 11.117 840 HB2 GLU 708 2HB GLU 708 -4.444 10.524 11.577 841 HB3 GLU 708 1HB GLU 708 -4.144 10.015 13.216 842 HG2 GLU 708 2HG GLU 708 -3.431 12.735 12.115 843 HG3 GLU 708 1HG GLU 708 -4.948 12.369 12.912 844 H GLU 709 H GLU 709 -1.893 8.679 13.983 845 HA GLU 709 HA GLU 709 -0.169 10.524 15.357 846 HB2 GLU 709 2HB GLU 709 -1.826 9.230 16.568 847 HB3 GLU 709 1HB GLU 709 -1.063 7.739 16.050 848 HG2 GLU 709 2HG GLU 709 0.976 8.460 17.307 849 HG3 GLU 709 1HG GLU 709 0.025 9.806 17.939 850 H ASP 710 H ASP 710 1.681 10.613 13.976 851 HA ASP 710 HA ASP 710 3.799 9.172 15.024 852 HB2 ASP 710 2HB ASP 710 2.981 7.362 13.378 853 HB3 ASP 710 1HB ASP 710 3.463 8.463 12.085 854 H ASN 711 H ASN 711 5.714 10.093 14.516 855 HA ASN 711 HA ASN 711 5.453 12.794 13.654 856 HB2 ASN 711 2HB ASN 711 7.872 11.269 14.584 857 HB3 ASN 711 1HB ASN 711 7.830 13.005 14.280 858 HD21 ASN 711 2HD ASN 711 6.224 13.765 17.280 859 H SER 712 H SER 712 6.787 9.900 12.126 860 HA SER 712 HA SER 712 7.183 11.498 9.743 861 HB2 SER 712 2HB SER 712 9.568 10.865 9.431 862 HB3 SER 712 1HB SER 712 9.286 11.938 10.794 863 HG SER 712 HG SER 712 10.171 9.343 10.727 864 H THR 713 H THR 713 6.842 8.390 11.200 865 HA THR 713 HA THR 713 7.073 7.164 8.574 866 HB THR 713 HB THR 713 6.775 5.836 11.278 867 HG1 THR 713 1HG THR 713 8.975 6.830 9.876 868 HG21 THR 713 2HG THR 713 7.564 3.825 10.082 869 H TYR 714 H TYR 714 5.199 7.679 7.661 870 HA TYR 714 HA TYR 714 2.751 7.867 9.048 871 HB2 TYR 714 2HB TYR 714 3.328 7.693 6.081 872 HB3 TYR 714 1HB TYR 714 1.754 8.053 6.774 873 HD1 TYR 714 1HD TYR 714 5.262 9.341 6.569 874 HD2 TYR 714 2HD TYR 714 1.180 10.289 7.295 875 HE1 TYR 714 1HE TYR 714 5.816 11.727 6.586 876 HE2 TYR 714 2HE TYR 714 1.729 12.671 7.306 877 HH TYR 714 HH TYR 714 3.748 14.083 7.722 878 H ASN 715 H ASN 715 2.044 6.148 10.014 879 HA ASN 715 HA ASN 715 2.180 3.528 8.807 880 HB2 ASN 715 2HB ASN 715 2.510 3.889 11.363 881 HB3 ASN 715 1HB ASN 715 0.852 4.367 11.400 882 HD21 ASN 715 2HD ASN 715 1.183 0.480 10.306 883 H PHE 716 H PHE 716 0.449 2.415 8.023 884 HA PHE 716 HA PHE 716 -2.145 3.755 8.018 885 HB2 PHE 716 2HB PHE 716 -0.669 2.574 5.695 886 HB3 PHE 716 1HB PHE 716 -2.408 2.777 5.629 887 HD1 PHE 716 2HD PHE 716 0.845 4.468 5.689 888 HD2 PHE 716 1HD PHE 716 -3.366 4.993 5.441 889 HE1 PHE 716 2HE PHE 716 1.175 6.797 4.950 890 HE2 PHE 716 1HE PHE 716 -3.037 7.315 4.704 891 HZ PHE 716 HZ PHE 716 -0.766 8.214 4.460 892 H ARG 717 H ARG 717 -3.874 2.494 8.212 893 HA ARG 717 HA ARG 717 -3.432 -0.316 8.918 894 HB2 ARG 717 2HB ARG 717 -5.946 1.355 9.051 895 HB3 ARG 717 1HB ARG 717 -5.793 -0.296 9.605 896 HG2 ARG 717 2HG ARG 717 -4.208 0.446 11.285 897 HG3 ARG 717 1HG ARG 717 -4.452 2.126 10.761 898 HD2 ARG 717 2HD ARG 717 -6.888 1.849 11.197 899 HD3 ARG 717 1HD ARG 717 -6.560 0.243 11.836 900 HE ARG 717 HE ARG 717 -5.146 2.441 13.057 901 HH12 ARG 717 1HH ARG 717 -8.244 0.543 14.879 902 HH21 ARG 717 2HH ARG 717 -6.980 2.172 16.056 903 H TRP 718 H TRP 718 -3.903 -1.786 7.515 904 HA TRP 718 HA TRP 718 -5.724 -1.113 5.299 905 HB2 TRP 718 2HB TRP 718 -3.259 -1.275 4.680 906 HB3 TRP 718 1HB TRP 718 -3.341 -2.970 5.118 907 HD1 TRP 718 HD TRP 718 -5.713 -4.115 3.648 908 HE1 TRP 718 1HE TRP 718 -5.937 -4.039 1.079 909 HE3 TRP 718 3HE TRP 718 -2.504 -0.216 2.608 910 HZ2 TRP 718 2HZ TRP 718 -4.911 -2.575 -1.057 911 HZ3 TRP 718 3HZ TRP 718 -2.199 0.420 0.282 912 HH2 TRP 718 HH TRP 718 -3.369 -0.727 -1.513 913 H TYR 719 H TYR 719 -7.499 -2.294 5.646 914 HA TYR 719 HA TYR 719 -7.191 -4.891 6.954 915 HB2 TYR 719 2HB TYR 719 -9.635 -3.155 6.596 916 HB3 TYR 719 1HB TYR 719 -9.653 -4.752 7.329 917 HD1 TYR 719 2HD TYR 719 -8.625 -5.114 9.502 918 HD2 TYR 719 1HD TYR 719 -8.817 -1.230 7.815 919 HE1 TYR 719 2HE TYR 719 -8.153 -4.137 11.723 920 HE2 TYR 719 1HE TYR 719 -8.347 -0.238 10.015 921 HH TYR 719 HH TYR 719 -7.294 -2.110 12.678 922 H THR 720 H THR 720 -6.972 -6.466 5.579 923 HA THR 720 HA THR 720 -8.799 -6.559 3.332 924 HB THR 720 HB THR 720 -6.796 -5.698 2.325 925 HG1 THR 720 1HG THR 720 -7.225 -6.955 0.784 926 HG21 THR 720 2HG THR 720 -5.366 -8.073 3.499 927 H SER 721 H SER 721 -9.492 -8.551 2.710 928 HA SER 721 HA SER 721 -9.237 -10.651 4.560 929 HB2 SER 721 2HB SER 721 -10.625 -11.793 2.673 930 HB3 SER 721 1HB SER 721 -11.334 -10.422 3.529 931 HG SER 721 HG SER 721 -10.808 -10.661 0.921 932 H TYR 722 H TYR 722 -7.578 -9.671 1.705 933 HA TYR 722 HA TYR 722 -6.433 -12.168 0.997 934 HB2 TYR 722 2HB TYR 722 -5.622 -9.343 0.322 935 HB3 TYR 722 1HB TYR 722 -4.761 -10.752 -0.283 936 HD1 TYR 722 2HD TYR 722 -5.810 -12.244 -1.888 937 HD2 TYR 722 1HD TYR 722 -7.805 -8.737 -0.565 938 HE1 TYR 722 2HE TYR 722 -7.371 -12.444 -3.764 939 HE2 TYR 722 1HE TYR 722 -9.383 -8.921 -2.446 940 HH TYR 722 HH TYR 722 -9.468 -9.944 -4.678 941 H ALA 723 H ALA 723 -5.874 -10.154 3.605 942 HA ALA 723 HA ALA 723 -3.094 -10.799 3.961 943 HB1 ALA 723 1HB ALA 723 -5.106 -9.617 5.879 944 HB2 ALA 723 2HB ALA 723 -3.948 -8.728 4.903 945 HB3 ALA 723 3HB ALA 723 -3.377 -9.771 6.210 946 H CYS 724 H CYS 724 -5.919 -12.489 4.287 947 HA CYS 724 HA CYS 724 -4.742 -14.337 6.207 948 HB2 CYS 724 2HB CYS 724 -7.579 -14.092 5.184 949 HB3 CYS 724 1HB CYS 724 -7.018 -15.489 6.085 950 HA PRO 725 HA PRO 725 -4.000 -17.117 2.740 951 HB2 PRO 725 2HB PRO 725 -4.634 -19.387 4.515 952 HB3 PRO 725 1HB PRO 725 -3.107 -18.991 3.728 953 HG2 PRO 725 2HG PRO 725 -3.441 -18.737 6.379 954 HG3 PRO 725 1HG PRO 725 -2.410 -17.633 5.452 955 HD2 PRO 725 2HD PRO 725 -5.185 -17.225 6.483 956 HD3 PRO 725 1HD PRO 725 -3.811 -16.095 6.436 Start of MODEL 18 1 H1 GLU 578 1HT GLU 578 7.597 -18.522 22.050 2 H2 GLU 578 2HT GLU 578 6.756 -18.588 23.519 3 H3 GLU 578 3HT GLU 578 7.974 -17.433 23.276 4 HA GLU 578 HA GLU 578 5.484 -17.573 21.761 5 HB2 GLU 578 2HB GLU 578 6.311 -15.679 23.992 6 HB3 GLU 578 1HB GLU 578 4.951 -15.402 22.928 7 HG2 GLU 578 2HG GLU 578 4.174 -16.245 25.048 8 HG3 GLU 578 1HG GLU 578 3.883 -17.449 23.799 9 H ALA 579 H ALA 579 5.417 -16.292 20.040 10 HA ALA 579 HA ALA 579 7.913 -15.152 19.191 11 HB1 ALA 579 1HB ALA 579 6.503 -16.347 17.577 12 HB2 ALA 579 2HB ALA 579 6.770 -14.673 17.084 13 HB3 ALA 579 3HB ALA 579 5.229 -15.149 17.802 14 H GLU 580 H GLU 580 8.284 -13.499 20.571 15 HA GLU 580 HA GLU 580 6.567 -11.169 20.180 16 HB2 GLU 580 2HB GLU 580 7.888 -12.004 22.772 17 HB3 GLU 580 1HB GLU 580 7.024 -10.495 22.521 18 HG2 GLU 580 2HG GLU 580 4.978 -11.768 22.063 19 HG3 GLU 580 1HG GLU 580 5.856 -13.260 22.373 20 H ALA 581 H ALA 581 7.741 -9.816 18.983 21 HA ALA 581 HA ALA 581 10.350 -9.022 19.863 22 HB1 ALA 581 1HB ALA 581 10.010 -10.336 17.169 23 HB2 ALA 581 2HB ALA 581 10.874 -11.014 18.545 24 HB3 ALA 581 3HB ALA 581 11.478 -9.550 17.761 25 H GLU 582 H GLU 582 11.108 -7.164 18.613 26 HA GLU 582 HA GLU 582 9.018 -5.875 17.035 27 HB2 GLU 582 2HB GLU 582 10.549 -4.626 19.306 28 HB3 GLU 582 1HB GLU 582 9.541 -3.743 18.176 29 HG2 GLU 582 2HG GLU 582 7.596 -5.007 18.964 30 HG3 GLU 582 1HG GLU 582 8.632 -5.850 20.116 31 H PHE 583 H PHE 583 9.783 -4.276 15.637 32 HA PHE 583 HA PHE 583 11.119 -3.295 14.132 33 HB2 PHE 583 2HB PHE 583 13.331 -3.765 16.145 34 HB3 PHE 583 1HB PHE 583 13.453 -2.740 14.725 35 HD1 PHE 583 1HD PHE 583 12.011 -3.099 18.064 36 HD2 PHE 583 2HD PHE 583 12.426 -0.559 14.691 37 HE1 PHE 583 1HE PHE 583 11.206 -1.217 19.401 38 HE2 PHE 583 2HE PHE 583 11.615 1.344 16.027 39 HZ PHE 583 HZ PHE 583 11.005 1.014 18.388 40 H LEU 584 H LEU 584 13.369 -5.637 15.445 41 HA LEU 584 HA LEU 584 13.774 -6.562 12.758 42 HB2 LEU 584 2HB LEU 584 15.844 -7.729 13.518 43 HB3 LEU 584 1HB LEU 584 15.887 -5.999 13.695 44 HG LEU 584 HG LEU 584 15.438 -7.925 15.989 45 HD13 LEU 584 1HD LEU 584 17.778 -7.453 16.559 46 HD21 LEU 584 2HD LEU 584 16.096 -4.964 15.928 47 H SER 585 H SER 585 11.807 -7.444 12.792 48 HA SER 585 HA SER 585 11.850 -10.292 13.196 49 HB2 SER 585 2HB SER 585 9.665 -10.219 14.444 50 HB3 SER 585 1HB SER 585 11.026 -9.575 15.363 51 HG SER 585 HG SER 585 8.776 -8.402 14.865 52 H ARG 586 H ARG 586 11.705 -8.050 11.184 53 HA ARG 586 HA ARG 586 9.057 -8.502 10.017 54 HB2 ARG 586 2HB ARG 586 9.759 -6.159 10.597 55 HB3 ARG 586 1HB ARG 586 11.051 -6.320 9.418 56 HG2 ARG 586 2HG ARG 586 9.315 -6.787 7.699 57 HG3 ARG 586 1HG ARG 586 8.092 -6.371 8.902 58 HD2 ARG 586 2HD ARG 586 8.489 -4.400 7.617 59 HD3 ARG 586 1HD ARG 586 9.278 -4.168 9.174 60 HE ARG 586 HE ARG 586 11.085 -5.282 7.303 61 HH12 ARG 586 1HH ARG 586 10.755 -1.252 7.473 62 HH21 ARG 586 2HH ARG 586 12.580 -2.254 6.371 63 H THR 587 H THR 587 9.177 -9.999 8.468 64 HA THR 587 HA THR 587 11.649 -10.456 7.014 65 HB THR 587 HB THR 587 8.945 -11.795 6.687 66 HG1 THR 587 1HG THR 587 9.862 -13.401 8.098 67 HG21 THR 587 2HG THR 587 11.749 -12.689 5.987 68 H GLU 588 H GLU 588 12.059 -9.310 5.177 69 HA GLU 588 HA GLU 588 9.755 -8.135 3.824 70 HB2 GLU 588 2HB GLU 588 11.343 -6.406 2.950 71 HB3 GLU 588 1HB GLU 588 11.105 -6.382 4.688 72 HG2 GLU 588 2HG GLU 588 13.253 -7.632 4.924 73 HG3 GLU 588 1HG GLU 588 13.489 -7.447 3.186 74 H GLY 589 H GLY 589 9.313 -8.444 1.794 75 HA2 GLY 589 2HA GLY 589 11.098 -10.225 0.262 76 HA3 GLY 589 1HA GLY 589 9.341 -10.277 0.173 77 H ASP 590 H ASP 590 9.495 -9.962 -2.135 78 HA ASP 590 HA ASP 590 9.692 -7.186 -2.889 79 HB2 ASP 590 2HB ASP 590 12.020 -7.839 -3.115 80 HB3 ASP 590 1HB ASP 590 11.568 -9.282 -4.002 81 H ASN 591 H ASN 591 8.987 -6.837 -5.069 82 HA ASN 591 HA ASN 591 7.333 -6.892 -6.600 83 HB2 ASN 591 2HB ASN 591 8.388 -9.692 -6.996 84 HB3 ASN 591 1HB ASN 591 7.238 -8.924 -8.075 85 HD21 ASN 591 2HD ASN 591 9.968 -6.406 -8.777 86 H CYS 592 H CYS 592 5.889 -6.746 -4.641 87 HA CYS 592 HA CYS 592 3.804 -7.054 -3.843 88 HB2 CYS 592 2HB CYS 592 3.525 -8.661 -6.350 89 HB3 CYS 592 1HB CYS 592 2.166 -8.280 -5.288 90 H THR 593 H THR 593 5.985 -9.246 -3.396 91 HA THR 593 HA THR 593 4.093 -11.027 -2.144 92 HB THR 593 HB THR 593 5.598 -12.973 -2.643 93 HG1 THR 593 1HG THR 593 7.056 -10.990 -3.969 94 HG21 THR 593 2HG THR 593 4.461 -11.582 -5.072 95 H VAL 594 H VAL 594 4.744 -11.893 -0.284 96 HA VAL 594 HA VAL 594 7.338 -11.113 0.723 97 HB VAL 594 HB VAL 594 5.880 -9.520 1.782 98 HG13 VAL 594 1HG VAL 594 3.759 -10.532 1.381 99 HG21 VAL 594 2HG VAL 594 6.121 -10.030 4.098 100 H PHE 595 H PHE 595 8.436 -12.750 1.392 101 HA PHE 595 HA PHE 595 7.008 -15.210 1.969 102 HB2 PHE 595 2HB PHE 595 8.843 -16.388 0.739 103 HB3 PHE 595 1HB PHE 595 7.804 -15.393 -0.273 104 HD1 PHE 595 1HD PHE 595 8.645 -13.246 -1.178 105 HD2 PHE 595 2HD PHE 595 11.188 -15.905 0.963 106 HE1 PHE 595 1HE PHE 595 10.614 -12.077 -2.067 107 HE2 PHE 595 2HE PHE 595 13.151 -14.741 0.075 108 HZ PHE 595 HZ PHE 595 12.865 -12.817 -1.440 109 H ASP 596 H ASP 596 7.672 -16.305 3.662 110 HA ASP 596 HA ASP 596 10.134 -15.354 5.073 111 HB2 ASP 596 2HB ASP 596 7.887 -14.995 6.231 112 HB3 ASP 596 1HB ASP 596 7.639 -16.697 6.227 113 H SER 597 H SER 597 11.649 -16.722 4.592 114 HA SER 597 HA SER 597 11.256 -19.411 3.782 115 HB2 SER 597 2HB SER 597 13.783 -18.026 4.689 116 HB3 SER 597 1HB SER 597 13.691 -19.530 3.763 117 HG SER 597 HG SER 597 13.217 -16.909 2.992 118 H GLN 598 H GLN 598 11.404 -17.960 6.813 119 HA GLN 598 HA GLN 598 12.736 -20.016 8.301 120 HB2 GLN 598 2HB GLN 598 11.087 -17.633 9.151 121 HB3 GLN 598 1HB GLN 598 12.196 -18.546 10.178 122 HG2 GLN 598 2HG GLN 598 14.072 -17.684 9.169 123 HG3 GLN 598 1HG GLN 598 13.231 -17.358 7.658 124 HE21 GLN 598 2HE GLN 598 12.198 -14.160 8.443 125 H ALA 599 H ALA 599 9.419 -18.821 7.975 126 HA ALA 599 HA ALA 599 8.479 -21.289 9.247 127 HB1 ALA 599 1HB ALA 599 7.499 -19.175 10.011 128 HB2 ALA 599 2HB ALA 599 6.279 -20.235 9.300 129 HB3 ALA 599 3HB ALA 599 6.915 -18.874 8.375 130 H GLY 600 H GLY 600 8.793 -19.830 6.136 131 HA2 GLY 600 2HA GLY 600 8.880 -21.100 4.161 132 HA3 GLY 600 1HA GLY 600 8.043 -22.404 4.982 133 H PHE 601 H PHE 601 7.171 -18.997 4.407 134 HA PHE 601 HA PHE 601 4.946 -19.964 2.775 135 HB2 PHE 601 2HB PHE 601 3.341 -18.439 3.887 136 HB3 PHE 601 1HB PHE 601 3.970 -19.722 4.924 137 HD1 PHE 601 2HD PHE 601 4.449 -16.077 4.128 138 HD2 PHE 601 1HD PHE 601 4.809 -19.227 6.988 139 HE1 PHE 601 2HE PHE 601 5.023 -14.458 5.845 140 HE2 PHE 601 1HE PHE 601 5.392 -17.579 8.700 141 HZ PHE 601 HZ PHE 601 5.502 -15.207 8.132 142 H SER 602 H SER 602 3.872 -18.302 1.519 143 HA SER 602 HA SER 602 5.285 -15.790 1.273 144 HB2 SER 602 2HB SER 602 5.246 -15.999 -1.217 145 HB3 SER 602 1HB SER 602 6.302 -17.189 -0.453 146 HG SER 602 HG SER 602 4.848 -17.989 -2.125 147 H PHE 603 H PHE 603 3.922 -14.146 1.011 148 HA PHE 603 HA PHE 603 1.159 -14.824 0.347 149 HB2 PHE 603 2HB PHE 603 2.158 -12.627 2.159 150 HB3 PHE 603 1HB PHE 603 0.524 -12.655 1.517 151 HD1 PHE 603 2HD PHE 603 -1.007 -14.489 2.128 152 HD2 PHE 603 1HD PHE 603 2.785 -14.011 3.991 153 HE1 PHE 603 2HE PHE 603 -1.740 -15.936 3.975 154 HE2 PHE 603 1HE PHE 603 2.060 -15.463 5.842 155 HZ PHE 603 HZ PHE 603 -0.211 -16.426 5.833 156 H ASP 604 H ASP 604 0.066 -13.646 -1.033 157 HA ASP 604 HA ASP 604 1.653 -11.913 -2.842 158 HB2 ASP 604 2HB ASP 604 -0.619 -13.805 -3.501 159 HB3 ASP 604 1HB ASP 604 0.018 -12.612 -4.618 160 H LEU 605 H LEU 605 0.992 -9.881 -2.735 161 HA LEU 605 HA LEU 605 -1.901 -9.492 -2.382 162 HB2 LEU 605 2HB LEU 605 0.229 -7.494 -1.576 163 HB3 LEU 605 1HB LEU 605 -1.526 -7.372 -1.425 164 HG LEU 605 HG LEU 605 0.194 -9.335 0.089 165 HD13 LEU 605 1HD LEU 605 -1.187 -6.817 0.960 166 HD21 LEU 605 2HD LEU 605 -1.851 -9.791 1.353 167 H THR 606 H THR 606 -0.037 -9.859 -4.718 168 HA THR 606 HA THR 606 0.313 -7.735 -6.299 169 HB THR 606 HB THR 606 -0.806 -10.376 -7.237 170 HG1 THR 606 1HG THR 606 1.316 -11.165 -6.970 171 HG21 THR 606 2HG THR 606 -0.409 -8.633 -8.934 172 HA PRO 607 HA PRO 607 -4.410 -8.121 -7.871 173 HB2 PRO 607 2HB PRO 607 -6.136 -8.822 -5.830 174 HB3 PRO 607 1HB PRO 607 -5.582 -9.922 -7.094 175 HG2 PRO 607 2HG PRO 607 -4.559 -9.559 -4.307 176 HG3 PRO 607 1HG PRO 607 -4.842 -11.061 -5.204 177 HD2 PRO 607 2HD PRO 607 -2.388 -10.096 -4.930 178 HD3 PRO 607 1HD PRO 607 -2.898 -10.808 -6.473 179 H LEU 608 H LEU 608 -3.213 -6.928 -4.778 180 HA LEU 608 HA LEU 608 -5.379 -5.094 -4.390 181 HB2 LEU 608 2HB LEU 608 -2.661 -5.157 -3.129 182 HB3 LEU 608 1HB LEU 608 -4.064 -4.257 -2.574 183 HG LEU 608 HG LEU 608 -3.513 -7.201 -2.423 184 HD13 LEU 608 1HD LEU 608 -2.470 -5.769 -0.718 185 HD21 LEU 608 2HD LEU 608 -6.037 -5.773 -1.644 186 H THR 609 H THR 609 -2.411 -5.184 -6.143 187 HA THR 609 HA THR 609 -1.703 -2.461 -6.011 188 HB THR 609 HB THR 609 -0.964 -4.544 -8.086 189 HG1 THR 609 1HG THR 609 0.766 -4.983 -6.634 190 HG21 THR 609 2HG THR 609 -0.364 -2.220 -8.714 191 H LYS 610 H LYS 610 -2.237 -0.742 -7.273 192 HA LYS 610 HA LYS 610 -4.054 -1.175 -9.551 193 HB2 LYS 610 2HB LYS 610 -3.998 1.056 -7.563 194 HB3 LYS 610 1HB LYS 610 -4.895 1.137 -9.051 195 HG2 LYS 610 2HG LYS 610 -6.201 -0.883 -8.253 196 HG3 LYS 610 1HG LYS 610 -5.380 -0.679 -6.714 197 HD2 LYS 610 2HD LYS 610 -6.240 1.539 -6.435 198 HD3 LYS 610 1HD LYS 610 -6.957 1.519 -8.044 199 HE2 LYS 610 2HE LYS 610 -7.733 -0.255 -5.732 200 HE3 LYS 610 1HE LYS 610 -8.627 1.156 -6.290 201 HZ1 LYS 610 3HZ LYS 610 -8.975 0.051 -8.398 202 HZ2 LYS 610 1HZ LYS 610 -9.586 -0.852 -7.124 203 HZ3 LYS 610 2HZ LYS 610 -8.146 -1.326 -7.847 204 H LYS 611 H LYS 611 -3.566 -0.058 -11.376 205 HA LYS 611 HA LYS 611 -1.012 1.221 -11.499 206 HB2 LYS 611 2HB LYS 611 -1.511 1.610 -13.867 207 HB3 LYS 611 1HB LYS 611 -1.745 -0.066 -13.417 208 HG2 LYS 611 2HG LYS 611 -4.173 0.307 -13.334 209 HG3 LYS 611 1HG LYS 611 -3.916 1.982 -13.829 210 HD2 LYS 611 2HD LYS 611 -3.125 -0.463 -15.409 211 HD3 LYS 611 1HD LYS 611 -4.550 0.530 -15.723 212 HE2 LYS 611 2HE LYS 611 -3.118 2.444 -16.213 213 HE3 LYS 611 1HE LYS 611 -1.684 1.495 -15.832 214 HZ1 LYS 611 3HZ LYS 611 -2.028 1.612 -18.190 215 HZ2 LYS 611 1HZ LYS 611 -3.578 0.938 -18.040 216 HZ3 LYS 611 2HZ LYS 611 -2.224 0.026 -17.647 217 H ASP 612 H ASP 612 -4.138 2.205 -10.756 218 HA ASP 612 HA ASP 612 -3.580 5.026 -11.351 219 HB2 ASP 612 2HB ASP 612 -6.109 3.696 -10.354 220 HB3 ASP 612 1HB ASP 612 -5.939 5.420 -10.662 221 H ALA 613 H ALA 613 -3.333 2.831 -8.873 222 HA ALA 613 HA ALA 613 -2.759 2.886 -6.706 223 HB1 ALA 613 1HB ALA 613 -1.110 4.569 -7.424 224 HB2 ALA 613 2HB ALA 613 -1.647 4.821 -5.762 225 HB3 ALA 613 3HB ALA 613 -2.270 5.841 -7.060 226 H TYR 614 H TYR 614 -3.251 3.851 -4.533 227 HA TYR 614 HA TYR 614 -6.137 4.365 -4.348 228 HB2 TYR 614 2HB TYR 614 -4.085 3.384 -2.388 229 HB3 TYR 614 1HB TYR 614 -5.734 3.747 -1.922 230 HD1 TYR 614 2HD TYR 614 -3.673 1.661 -4.174 231 HD2 TYR 614 1HD TYR 614 -7.377 2.085 -2.150 232 HE1 TYR 614 2HE TYR 614 -4.272 -0.590 -4.838 233 HE2 TYR 614 1HE TYR 614 -8.002 -0.199 -2.803 234 HH TYR 614 HH TYR 614 -5.722 -2.335 -4.219 235 H LYS 615 H LYS 615 -6.939 6.281 -3.399 236 HA LYS 615 HA LYS 615 -4.916 7.970 -2.269 237 HB2 LYS 615 2HB LYS 615 -6.708 9.679 -2.457 238 HB3 LYS 615 1HB LYS 615 -5.987 9.139 -3.972 239 HG2 LYS 615 2HG LYS 615 -7.882 8.090 -4.658 240 HG3 LYS 615 1HG LYS 615 -8.404 7.767 -2.996 241 HD2 LYS 615 2HD LYS 615 -9.713 9.374 -4.266 242 HD3 LYS 615 1HD LYS 615 -9.117 9.892 -2.674 243 HE2 LYS 615 2HE LYS 615 -7.323 11.093 -3.717 244 HE3 LYS 615 1HE LYS 615 -7.850 10.628 -5.337 245 HZ1 LYS 615 3HZ LYS 615 -9.971 11.890 -4.887 246 HZ2 LYS 615 1HZ LYS 615 -8.635 12.891 -4.884 247 HZ3 LYS 615 2HZ LYS 615 -9.354 12.424 -3.438 248 H VAL 616 H VAL 616 -5.232 8.771 -0.408 249 HA VAL 616 HA VAL 616 -7.418 7.717 1.298 250 HB VAL 616 HB VAL 616 -4.601 8.365 2.218 251 HG13 VAL 616 1HG VAL 616 -6.874 7.018 3.655 252 HG21 VAL 616 2HG VAL 616 -4.237 5.946 2.486 253 H GLU 617 H GLU 617 -8.592 9.424 1.893 254 HA GLU 617 HA GLU 617 -7.265 12.031 1.807 255 HB2 GLU 617 2HB GLU 617 -10.207 11.400 1.524 256 HB3 GLU 617 1HB GLU 617 -9.456 12.981 1.327 257 HG2 GLU 617 2HG GLU 617 -8.183 12.151 -0.586 258 HG3 GLU 617 1HG GLU 617 -8.923 10.567 -0.392 259 H THR 618 H THR 618 -7.162 13.203 3.612 260 HA THR 618 HA THR 618 -8.773 12.328 5.875 261 HB THR 618 HB THR 618 -6.832 12.747 7.376 262 HG1 THR 618 1HG THR 618 -5.520 13.190 4.910 263 HG21 THR 618 2HG THR 618 -6.294 10.717 5.207 264 H ASP 619 H ASP 619 -8.277 14.135 7.692 265 HA ASP 619 HA ASP 619 -9.237 16.580 6.601 266 HB2 ASP 619 2HB ASP 619 -8.277 15.910 9.389 267 HB3 ASP 619 1HB ASP 619 -9.002 17.443 8.929 268 H LYS 620 H LYS 620 -6.160 15.271 7.149 269 HA LYS 620 HA LYS 620 -4.847 17.886 7.281 270 HB2 LYS 620 2HB LYS 620 -3.544 15.151 7.240 271 HB3 LYS 620 1HB LYS 620 -2.753 16.671 7.545 272 HG2 LYS 620 2HG LYS 620 -2.912 15.472 9.593 273 HG3 LYS 620 1HG LYS 620 -4.041 16.818 9.691 274 HD2 LYS 620 2HD LYS 620 -5.908 15.397 9.408 275 HD3 LYS 620 1HD LYS 620 -4.908 14.068 8.828 276 HE2 LYS 620 2HE LYS 620 -5.689 13.692 11.096 277 HE3 LYS 620 1HE LYS 620 -3.939 13.789 11.018 278 HZ1 LYS 620 3HZ LYS 620 -4.713 14.943 12.906 279 HZ2 LYS 620 1HZ LYS 620 -5.820 15.863 12.011 280 HZ3 LYS 620 2HZ LYS 620 -4.153 16.136 11.844 281 H TYR 621 H TYR 621 -4.324 14.881 5.441 282 HA TYR 621 HA TYR 621 -3.560 16.474 3.041 283 HB2 TYR 621 2HB TYR 621 -2.185 13.907 3.813 284 HB3 TYR 621 1HB TYR 621 -1.655 15.134 2.687 285 HD1 TYR 621 2HD TYR 621 -0.599 17.230 3.598 286 HD2 TYR 621 1HD TYR 621 -1.658 13.971 6.091 287 HE1 TYR 621 2HE TYR 621 0.871 18.108 5.381 288 HE2 TYR 621 1HE TYR 621 -0.198 14.829 7.862 289 HH TYR 621 HH TYR 621 1.700 16.248 8.103 290 H GLU 622 H GLU 622 -3.350 14.813 1.158 291 HA GLU 622 HA GLU 622 -4.951 12.457 1.646 292 HB2 GLU 622 2HB GLU 622 -5.604 12.401 -0.717 293 HB3 GLU 622 1HB GLU 622 -6.260 13.809 0.106 294 HG2 GLU 622 2HG GLU 622 -4.636 15.211 -0.991 295 HG3 GLU 622 1HG GLU 622 -3.847 13.786 -1.678 296 H PHE 623 H PHE 623 -4.091 10.638 1.070 297 HA PHE 623 HA PHE 623 -1.272 10.823 0.235 298 HB2 PHE 623 2HB PHE 623 -2.655 8.652 1.825 299 HB3 PHE 623 1HB PHE 623 -0.950 8.717 1.416 300 HD1 PHE 623 2HD PHE 623 -3.608 10.267 3.438 301 HD2 PHE 623 1HD PHE 623 0.561 10.044 2.652 302 HE1 PHE 623 2HE PHE 623 -3.160 11.511 5.504 303 HE2 PHE 623 1HE PHE 623 1.016 11.288 4.722 304 HZ PHE 623 HZ PHE 623 -0.845 12.021 6.147 305 H HIS 624 H HIS 624 -0.577 9.523 -1.381 306 HA HIS 624 HA HIS 624 -2.599 7.786 -2.551 307 HB2 HIS 624 2HB HIS 624 -0.476 9.412 -3.974 308 HB3 HIS 624 1HB HIS 624 -1.438 8.165 -4.756 309 HD1 HIS 624 1HD HIS 624 -3.737 8.849 -5.607 310 HD2 HIS 624 2HD HIS 624 -2.034 11.734 -3.132 311 HE1 HIS 624 1HE HIS 624 -5.222 10.829 -5.772 312 HE2 HIS 624 2HE HIS 624 -4.353 12.448 -4.083 313 H ILE 625 H ILE 625 -2.130 5.781 -2.463 314 HA ILE 625 HA ILE 625 0.671 4.955 -2.012 315 HB ILE 625 HB ILE 625 -1.766 3.802 -0.623 316 HG12 ILE 625 1HG ILE 625 0.315 5.707 0.484 317 HG23 ILE 625 2HG ILE 625 0.074 2.217 -0.896 318 HD11 ILE 625 1HD ILE 625 -2.063 4.467 1.841 319 H ASN 626 H ASN 626 1.145 2.939 -2.903 320 HA ASN 626 HA ASN 626 -1.024 1.502 -4.172 321 HB2 ASN 626 2HB ASN 626 0.239 2.955 -5.876 322 HB3 ASN 626 1HB ASN 626 1.643 1.939 -5.520 323 HD21 ASN 626 2HD ASN 626 0.467 0.365 -8.406 324 H VAL 627 H VAL 627 -0.462 -0.753 -4.400 325 HA VAL 627 HA VAL 627 0.790 -1.538 -2.002 326 HB VAL 627 HB VAL 627 -0.366 -3.244 -4.209 327 HG13 VAL 627 1HG VAL 627 1.195 -4.553 -2.817 328 HG21 VAL 627 2HG VAL 627 -1.469 -2.248 -1.599 329 H CYS 628 H CYS 628 1.793 -1.393 -5.201 330 HA CYS 628 HA CYS 628 4.445 -2.330 -4.495 331 HB2 CYS 628 2HB CYS 628 2.912 -3.410 -6.849 332 HB3 CYS 628 1HB CYS 628 4.604 -3.715 -6.498 333 H GLY 629 H GLY 629 5.946 -1.228 -5.551 334 HA2 GLY 629 2HA GLY 629 7.002 -0.079 -7.243 335 HA3 GLY 629 1HA GLY 629 5.542 -0.252 -8.205 336 HA PRO 630 HA PRO 630 5.396 4.080 -7.033 337 HB2 PRO 630 2HB PRO 630 4.882 5.079 -9.409 338 HB3 PRO 630 1HB PRO 630 6.481 4.429 -9.040 339 HG2 PRO 630 2HG PRO 630 4.307 3.259 -10.698 340 HG3 PRO 630 1HG PRO 630 6.062 3.096 -10.871 341 HD2 PRO 630 2HD PRO 630 4.266 1.270 -9.623 342 HD3 PRO 630 1HD PRO 630 6.041 1.179 -9.661 343 H VAL 631 H VAL 631 3.766 5.696 -7.204 344 HA VAL 631 HA VAL 631 1.034 4.671 -7.541 345 HB VAL 631 HB VAL 631 0.293 6.581 -6.190 346 HG13 VAL 631 1HG VAL 631 0.807 4.587 -5.008 347 HG21 VAL 631 2HG VAL 631 2.013 8.210 -6.809 348 H SER 632 H SER 632 -0.394 5.889 -8.804 349 HA SER 632 HA SER 632 0.973 7.796 -10.543 350 HB2 SER 632 2HB SER 632 -1.710 6.454 -10.862 351 HB3 SER 632 1HB SER 632 -0.918 7.483 -12.062 352 HG SER 632 HG SER 632 -0.683 4.971 -11.916 353 H VAL 633 H VAL 633 0.620 9.887 -10.387 354 HA VAL 633 HA VAL 633 -1.800 11.007 -9.215 355 HB VAL 633 HB VAL 633 0.915 11.731 -8.079 356 HG13 VAL 633 1HG VAL 633 -0.309 12.992 -6.390 357 HG21 VAL 633 2HG VAL 633 0.362 9.503 -7.272 358 H GLY 634 H GLY 634 -2.201 12.902 -10.318 359 HA2 GLY 634 2HA GLY 634 -0.237 13.887 -12.185 360 HA3 GLY 634 1HA GLY 634 -1.851 14.542 -11.912 361 H ALA 635 H ALA 635 1.045 14.083 -9.983 362 HA ALA 635 HA ALA 635 1.715 16.790 -9.557 363 HB1 ALA 635 1HB ALA 635 1.010 17.132 -7.234 364 HB2 ALA 635 2HB ALA 635 0.156 15.588 -7.257 365 HB3 ALA 635 3HB ALA 635 -0.382 16.919 -8.292 366 H CYS 636 H CYS 636 2.123 13.429 -8.977 367 HA CYS 636 HA CYS 636 4.522 13.972 -7.444 368 HB2 CYS 636 2HB CYS 636 2.703 11.547 -7.209 369 HB3 CYS 636 1HB CYS 636 4.185 11.822 -6.315 370 HA PRO 637 HA PRO 637 6.657 11.900 -10.763 371 HB2 PRO 637 2HB PRO 637 8.233 10.483 -8.702 372 HB3 PRO 637 1HB PRO 637 8.785 11.571 -9.973 373 HG2 PRO 637 2HG PRO 637 8.751 12.321 -7.417 374 HG3 PRO 637 1HG PRO 637 8.373 13.456 -8.726 375 HD2 PRO 637 2HD PRO 637 6.499 12.076 -6.832 376 HD3 PRO 637 1HD PRO 637 6.469 13.718 -7.502 377 HA PRO 638 HA PRO 638 4.949 7.742 -10.925 378 HB2 PRO 638 2HB PRO 638 6.135 6.876 -13.162 379 HB3 PRO 638 1HB PRO 638 4.935 8.177 -13.224 380 HG2 PRO 638 2HG PRO 638 7.927 8.371 -13.231 381 HG3 PRO 638 1HG PRO 638 6.758 9.193 -14.281 382 HD2 PRO 638 2HD PRO 638 7.875 10.385 -12.111 383 HD3 PRO 638 1HD PRO 638 6.236 10.761 -12.678 384 H ASP 639 H ASP 639 7.615 8.437 -9.596 385 HA ASP 639 HA ASP 639 8.671 5.691 -9.425 386 HB2 ASP 639 2HB ASP 639 10.239 8.275 -9.276 387 HB3 ASP 639 1HB ASP 639 10.897 6.680 -8.932 388 H SER 640 H SER 640 6.850 7.792 -7.962 389 HA SER 640 HA SER 640 8.006 7.472 -5.318 390 HB2 SER 640 2HB SER 640 7.242 9.738 -5.948 391 HB3 SER 640 1HB SER 640 5.650 9.105 -6.339 392 HG SER 640 HG SER 640 6.866 9.167 -3.761 393 H GLY 641 H GLY 641 7.119 5.860 -4.038 394 HA2 GLY 641 2HA GLY 641 4.765 4.491 -5.100 395 HA3 GLY 641 1HA GLY 641 5.875 3.806 -3.935 396 H ALA 642 H ALA 642 5.533 6.772 -2.855 397 HA ALA 642 HA ALA 642 2.861 6.644 -1.812 398 HB1 ALA 642 1HB ALA 642 3.594 6.852 0.537 399 HB2 ALA 642 2HB ALA 642 5.267 6.631 0.023 400 HB3 ALA 642 3HB ALA 642 4.106 5.318 -0.169 401 H CYS 643 H CYS 643 2.121 8.691 -1.911 402 HA CYS 643 HA CYS 643 3.953 10.918 -1.455 403 HB2 CYS 643 2HB CYS 643 4.039 10.433 -3.894 404 HB3 CYS 643 1HB CYS 643 2.304 10.670 -3.981 405 H GLN 644 H GLN 644 2.980 12.682 -0.535 406 HA GLN 644 HA GLN 644 0.088 12.450 -0.137 407 HB2 GLN 644 2HB GLN 644 0.381 13.656 2.013 408 HB3 GLN 644 1HB GLN 644 1.148 12.081 2.005 409 HG2 GLN 644 2HG GLN 644 3.331 13.193 1.671 410 HG3 GLN 644 1HG GLN 644 2.505 14.744 1.651 411 HE21 GLN 644 2HE GLN 644 3.907 13.827 5.071 412 H VAL 645 H VAL 645 -1.150 14.060 -0.629 413 HA VAL 645 HA VAL 645 0.122 16.575 -1.411 414 HB VAL 645 HB VAL 645 -2.608 15.488 -2.203 415 HG13 VAL 645 1HG VAL 645 -2.536 17.919 -2.163 416 HG21 VAL 645 2HG VAL 645 -1.667 15.155 -4.452 417 H SER 646 H SER 646 -0.182 18.104 0.053 418 HA SER 646 HA SER 646 -1.927 17.661 2.247 419 HB2 SER 646 2HB SER 646 0.232 18.808 2.544 420 HB3 SER 646 1HB SER 646 -0.313 20.076 1.455 421 HG SER 646 HG SER 646 -0.957 19.642 4.112 422 H ARG 647 H ARG 647 -3.781 18.615 2.697 423 HA ARG 647 HA ARG 647 -4.985 20.111 0.509 424 HB2 ARG 647 2HB ARG 647 -6.224 18.277 2.559 425 HB3 ARG 647 1HB ARG 647 -7.150 19.249 1.409 426 HG2 ARG 647 2HG ARG 647 -6.228 18.109 -0.445 427 HG3 ARG 647 1HG ARG 647 -5.032 17.302 0.557 428 HD2 ARG 647 2HD ARG 647 -6.808 15.798 -0.113 429 HD3 ARG 647 1HD ARG 647 -6.785 16.015 1.629 430 HE ARG 647 HE ARG 647 -8.667 17.618 1.217 431 HH12 ARG 647 1HH ARG 647 -9.597 14.664 -1.438 432 HH21 ARG 647 2HH ARG 647 -11.344 15.849 -0.267 433 H SER 648 H SER 648 -4.382 20.013 3.961 434 HA SER 648 HA SER 648 -5.820 22.453 4.401 435 HB2 SER 648 2HB SER 648 -3.859 21.009 6.177 436 HB3 SER 648 1HB SER 648 -4.972 22.282 6.655 437 HG SER 648 HG SER 648 -6.581 20.687 5.645 438 H ASP 649 H ASP 649 -2.392 21.484 4.011 439 HA ASP 649 HA ASP 649 -1.683 24.316 4.177 440 HB2 ASP 649 2HB ASP 649 -0.604 22.763 5.812 441 HB3 ASP 649 1HB ASP 649 0.125 21.903 4.464 442 H ARG 650 H ARG 650 -2.361 22.059 2.029 443 HA ARG 650 HA ARG 650 -2.166 21.665 -0.178 444 HB2 ARG 650 2HB ARG 650 -1.601 24.600 -0.170 445 HB3 ARG 650 1HB ARG 650 -2.049 23.659 -1.587 446 HG2 ARG 650 2HG ARG 650 -4.166 23.071 -0.534 447 HG3 ARG 650 1HG ARG 650 -3.719 24.016 0.887 448 HD2 ARG 650 2HD ARG 650 -5.172 25.275 -0.549 449 HD3 ARG 650 1HD ARG 650 -3.555 25.995 -0.478 450 HE ARG 650 HE ARG 650 -4.047 24.177 -2.675 451 HH12 ARG 650 1HH ARG 650 -3.835 28.171 -3.238 452 HH21 ARG 650 2HH ARG 650 -3.794 26.705 -5.088 453 H LYS 651 H LYS 651 0.582 21.548 1.273 454 HA LYS 651 HA LYS 651 2.260 21.960 -1.019 455 HB2 LYS 651 2HB LYS 651 2.841 20.978 1.727 456 HB3 LYS 651 1HB LYS 651 4.057 21.106 0.452 457 HG2 LYS 651 2HG LYS 651 3.500 23.440 0.173 458 HG3 LYS 651 1HG LYS 651 2.337 23.284 1.489 459 HD2 LYS 651 2HD LYS 651 4.095 22.710 2.999 460 HD3 LYS 651 1HD LYS 651 5.274 22.780 1.680 461 HE2 LYS 651 2HE LYS 651 5.311 24.772 2.914 462 HE3 LYS 651 1HE LYS 651 4.703 25.054 1.281 463 HZ1 LYS 651 3HZ LYS 651 2.494 25.258 2.064 464 HZ2 LYS 651 1HZ LYS 651 3.429 26.225 3.079 465 HZ3 LYS 651 2HZ LYS 651 2.903 24.715 3.611 466 H SER 652 H SER 652 3.952 19.969 -1.277 467 HA SER 652 HA SER 652 2.476 17.442 -1.183 468 HB2 SER 652 2HB SER 652 4.102 18.432 -3.552 469 HB3 SER 652 1HB SER 652 3.236 16.900 -3.437 470 HG SER 652 HG SER 652 1.451 18.610 -2.856 471 H TRP 653 H TRP 653 3.767 15.653 -0.730 472 HA TRP 653 HA TRP 653 6.691 15.949 -0.584 473 HB2 TRP 653 2HB TRP 653 5.048 15.085 1.809 474 HB3 TRP 653 1HB TRP 653 6.796 15.079 1.689 475 HD1 TRP 653 HD TRP 653 7.978 17.581 1.675 476 HE1 TRP 653 1HE TRP 653 7.228 19.724 2.854 477 HE3 TRP 653 3HE TRP 653 3.116 16.360 2.475 478 HZ2 TRP 653 2HZ TRP 653 4.828 20.768 3.989 479 HZ3 TRP 653 3HZ TRP 653 1.664 17.937 3.588 480 HH2 TRP 653 HH TRP 653 2.487 20.116 4.342 481 H ASN 654 H ASN 654 7.787 14.068 -0.333 482 HA ASN 654 HA ASN 654 6.438 11.806 -1.573 483 HB2 ASN 654 2HB ASN 654 8.628 12.895 -2.348 484 HB3 ASN 654 1HB ASN 654 9.345 12.219 -0.899 485 HD21 ASN 654 2HD ASN 654 8.701 10.034 -4.174 486 H LEU 655 H LEU 655 6.127 9.891 -0.333 487 HA LEU 655 HA LEU 655 7.312 9.927 2.373 488 HB2 LEU 655 2HB LEU 655 4.912 8.355 1.498 489 HB3 LEU 655 1HB LEU 655 5.601 8.416 3.096 490 HG LEU 655 HG LEU 655 4.943 10.976 2.855 491 HD13 LEU 655 1HD LEU 655 2.879 11.177 1.784 492 HD21 LEU 655 2HD LEU 655 3.026 8.753 3.489 493 H GLY 656 H GLY 656 7.816 8.701 -0.552 494 HA2 GLY 656 2HA GLY 656 9.673 6.985 0.162 495 HA3 GLY 656 1HA GLY 656 8.233 6.002 0.248 496 H ARG 657 H ARG 657 10.566 6.069 -1.409 497 HA ARG 657 HA ARG 657 9.744 6.692 -4.084 498 HB2 ARG 657 2HB ARG 657 11.995 7.047 -3.206 499 HB3 ARG 657 1HB ARG 657 12.135 5.343 -2.865 500 HG2 ARG 657 2HG ARG 657 12.283 4.819 -5.149 501 HG3 ARG 657 1HG ARG 657 11.861 6.485 -5.640 502 HD2 ARG 657 2HD ARG 657 13.750 7.311 -4.477 503 HD3 ARG 657 1HD ARG 657 14.214 5.695 -3.957 504 HE ARG 657 HE ARG 657 14.129 5.804 -6.764 505 HH12 ARG 657 1HH ARG 657 17.439 7.285 -4.890 506 HH21 ARG 657 2HH ARG 657 17.555 6.607 -7.174 507 H SER 658 H SER 658 9.454 5.084 -5.691 508 HA SER 658 HA SER 658 7.711 3.100 -4.970 509 HB2 SER 658 2HB SER 658 7.931 2.354 -7.278 510 HB3 SER 658 1HB SER 658 7.635 4.069 -7.074 511 HG SER 658 HG SER 658 10.289 3.164 -7.273 512 H ASN 659 H ASN 659 7.775 1.078 -4.581 513 HA ASN 659 HA ASN 659 9.744 -0.733 -5.345 514 HB2 ASN 659 2HB ASN 659 10.745 -1.380 -3.150 515 HB3 ASN 659 1HB ASN 659 11.218 0.220 -3.654 516 HD21 ASN 659 2HD ASN 659 8.509 0.275 -0.581 517 H ALA 660 H ALA 660 9.178 -2.844 -4.977 518 HA ALA 660 HA ALA 660 6.389 -3.137 -4.119 519 HB1 ALA 660 1HB ALA 660 8.117 -4.968 -5.778 520 HB2 ALA 660 2HB ALA 660 6.964 -3.792 -6.404 521 HB3 ALA 660 3HB ALA 660 6.392 -5.166 -5.460 522 H LYS 661 H LYS 661 8.838 -3.087 -2.400 523 HA LYS 661 HA LYS 661 9.177 -5.701 -1.345 524 HB2 LYS 661 2HB LYS 661 10.092 -2.988 -0.493 525 HB3 LYS 661 1HB LYS 661 10.141 -4.294 0.671 526 HG2 LYS 661 2HG LYS 661 12.300 -3.952 -0.430 527 HG3 LYS 661 1HG LYS 661 11.645 -5.548 -0.750 528 HD2 LYS 661 2HD LYS 661 10.894 -4.750 -2.964 529 HD3 LYS 661 1HD LYS 661 11.634 -3.182 -2.618 530 HE2 LYS 661 2HE LYS 661 13.821 -4.232 -2.401 531 HE3 LYS 661 1HE LYS 661 13.096 -5.811 -2.650 532 HZ1 LYS 661 3HZ LYS 661 12.463 -5.170 -4.852 533 HZ2 LYS 661 1HZ LYS 661 14.124 -4.985 -4.682 534 HZ3 LYS 661 2HZ LYS 661 13.121 -3.628 -4.674 535 H LEU 662 H LEU 662 7.422 -6.673 -0.603 536 HA LEU 662 HA LEU 662 5.741 -5.339 1.330 537 HB2 LEU 662 2HB LEU 662 5.767 -8.185 0.336 538 HB3 LEU 662 1HB LEU 662 4.638 -7.597 1.556 539 HG LEU 662 HG LEU 662 4.791 -7.019 -1.380 540 HD13 LEU 662 1HD LEU 662 3.667 -9.038 -0.731 541 HD21 LEU 662 2HD LEU 662 4.363 -4.880 -0.283 542 H SER 663 H SER 663 5.565 -6.113 3.483 543 HA SER 663 HA SER 663 7.973 -7.497 4.392 544 HB2 SER 663 2HB SER 663 6.694 -5.049 5.615 545 HB3 SER 663 1HB SER 663 8.094 -5.921 6.252 546 HG SER 663 HG SER 663 8.432 -5.312 3.664 547 H TYR 664 H TYR 664 7.653 -8.523 6.526 548 HA TYR 664 HA TYR 664 4.817 -8.976 7.155 549 HB2 TYR 664 2HB TYR 664 6.061 -10.832 5.819 550 HB3 TYR 664 1HB TYR 664 6.923 -11.107 7.317 551 HD1 TYR 664 2HD TYR 664 3.563 -10.922 5.873 552 HD2 TYR 664 1HD TYR 664 5.980 -12.564 8.951 553 HE1 TYR 664 2HE TYR 664 1.733 -12.380 6.485 554 HE2 TYR 664 1HE TYR 664 4.207 -14.053 9.580 555 HH TYR 664 HH TYR 664 1.651 -14.108 9.396 556 H TYR 665 H TYR 665 4.539 -8.305 9.177 557 HA TYR 665 HA TYR 665 6.829 -8.471 11.015 558 HB2 TYR 665 2HB TYR 665 6.024 -6.171 10.525 559 HB3 TYR 665 1HB TYR 665 4.432 -6.623 11.107 560 HD1 TYR 665 1HD TYR 665 7.948 -6.074 12.115 561 HD2 TYR 665 2HD TYR 665 3.936 -6.569 13.438 562 HE1 TYR 665 1HE TYR 665 8.605 -5.344 14.374 563 HE2 TYR 665 2HE TYR 665 4.583 -5.845 15.693 564 HH TYR 665 HH TYR 665 6.569 -5.741 17.067 565 H ASP 666 H ASP 666 6.630 -10.148 12.261 566 HA ASP 666 HA ASP 666 5.868 -11.781 13.588 567 HB2 ASP 666 2HB ASP 666 4.978 -10.023 15.041 568 HB3 ASP 666 1HB ASP 666 3.502 -9.962 14.085 569 H GLY 667 H GLY 667 2.743 -10.716 12.386 570 HA2 GLY 667 2HA GLY 667 2.610 -13.041 10.690 571 HA3 GLY 667 1HA GLY 667 1.440 -13.014 11.991 572 H MET 668 H MET 668 2.279 -9.920 10.871 573 HA MET 668 HA MET 668 -0.143 -9.863 9.224 574 HB2 MET 668 2HB MET 668 1.095 -7.561 10.772 575 HB3 MET 668 1HB MET 668 -0.349 -7.480 9.789 576 HG2 MET 668 2HG MET 668 -1.075 -7.520 12.027 577 HG3 MET 668 1HG MET 668 -1.398 -9.126 11.389 578 HE1 MET 668 3HE MET 668 0.791 -6.937 13.783 579 HE2 MET 668 1HE MET 668 2.019 -7.537 12.667 580 HE3 MET 668 2HE MET 668 2.007 -8.086 14.341 581 H ILE 669 H ILE 669 0.052 -8.963 7.210 582 HA ILE 669 HA ILE 669 2.742 -8.654 6.277 583 HB ILE 669 HB ILE 669 0.144 -8.220 4.768 584 HG12 ILE 669 1HG ILE 669 0.826 -10.204 3.436 585 HG23 ILE 669 2HG ILE 669 1.901 -6.892 3.774 586 HD11 ILE 669 1HD ILE 669 0.048 -11.926 4.879 587 H GLN 670 H GLN 670 3.716 -6.830 5.722 588 HA GLN 670 HA GLN 670 2.347 -4.305 6.215 589 HB2 GLN 670 2HB GLN 670 5.152 -5.106 6.869 590 HB3 GLN 670 1HB GLN 670 4.612 -3.428 6.806 591 HG2 GLN 670 2HG GLN 670 2.913 -3.993 8.509 592 HG3 GLN 670 1HG GLN 670 3.623 -5.603 8.618 593 HE21 GLN 670 2HE GLN 670 5.011 -3.131 11.075 594 H LEU 671 H LEU 671 3.575 -2.522 5.039 595 HA LEU 671 HA LEU 671 4.806 -3.427 2.506 596 HB2 LEU 671 2HB LEU 671 2.210 -2.705 2.494 597 HB3 LEU 671 1HB LEU 671 2.924 -1.121 2.568 598 HG LEU 671 HG LEU 671 3.044 -3.122 0.344 599 HD13 LEU 671 1HD LEU 671 2.000 -0.356 0.535 600 HD21 LEU 671 2HD LEU 671 4.408 -1.594 -0.958 601 H THR 672 H THR 672 6.615 -2.194 2.260 602 HA THR 672 HA THR 672 6.851 0.044 4.142 603 HB THR 672 HB THR 672 9.064 -1.832 3.285 604 HG1 THR 672 1HG THR 672 8.233 -3.086 4.793 605 HG21 THR 672 2HG THR 672 10.321 -0.767 5.115 606 H TYR 673 H TYR 673 6.892 1.890 3.078 607 HA TYR 673 HA TYR 673 8.551 2.066 0.671 608 HB2 TYR 673 2HB TYR 673 6.245 3.780 1.555 609 HB3 TYR 673 1HB TYR 673 7.400 4.321 0.345 610 HD1 TYR 673 1HD TYR 673 7.751 2.950 -1.667 611 HD2 TYR 673 2HD TYR 673 4.466 2.365 0.942 612 HE1 TYR 673 1HE TYR 673 6.605 1.761 -3.427 613 HE2 TYR 673 2HE TYR 673 3.275 1.164 -0.827 614 HH TYR 673 HH TYR 673 3.292 0.851 -3.161 615 H ARG 674 H ARG 674 10.289 3.270 0.672 616 HA ARG 674 HA ARG 674 10.822 5.021 2.968 617 HB2 ARG 674 2HB ARG 674 12.621 2.864 1.878 618 HB3 ARG 674 1HB ARG 674 13.162 4.109 2.984 619 HG2 ARG 674 2HG ARG 674 11.683 3.268 4.697 620 HG3 ARG 674 1HG ARG 674 11.018 2.081 3.568 621 HD2 ARG 674 2HD ARG 674 12.698 1.089 5.051 622 HD3 ARG 674 1HD ARG 674 13.187 1.030 3.360 623 HE ARG 674 HE ARG 674 14.137 3.187 5.090 624 HH12 ARG 674 1HH ARG 674 16.541 0.590 3.102 625 HH21 ARG 674 2HH ARG 674 17.479 2.402 4.275 626 H ASP 675 H ASP 675 13.031 6.120 2.491 627 HA ASP 675 HA ASP 675 14.399 7.450 1.288 628 HB2 ASP 675 2HB ASP 675 14.412 5.422 -0.457 629 HB3 ASP 675 1HB ASP 675 13.273 6.413 -1.316 630 H GLY 676 H GLY 676 11.495 7.962 1.934 631 HA2 GLY 676 2HA GLY 676 10.456 9.748 -0.009 632 HA3 GLY 676 1HA GLY 676 9.958 9.590 1.672 633 H THR 677 H THR 677 9.712 11.980 1.370 634 HA THR 677 HA THR 677 12.037 13.601 1.144 635 HB THR 677 HB THR 677 9.300 14.339 2.221 636 HG1 THR 677 1HG THR 677 10.244 14.721 -0.429 637 HG21 THR 677 2HG THR 677 11.001 15.999 2.727 638 HA PRO 678 HA PRO 678 13.207 13.049 5.515 639 HB2 PRO 678 2HB PRO 678 15.115 15.161 4.743 640 HB3 PRO 678 1HB PRO 678 15.438 13.568 5.457 641 HG2 PRO 678 2HG PRO 678 16.049 14.020 2.928 642 HG3 PRO 678 1HG PRO 678 15.258 12.500 3.409 643 HD2 PRO 678 2HD PRO 678 14.029 14.944 2.187 644 HD3 PRO 678 1HD PRO 678 13.849 13.226 1.733 645 H TYR 679 H TYR 679 12.531 14.123 7.288 646 HA TYR 679 HA TYR 679 12.359 16.934 6.965 647 HB2 TYR 679 2HB TYR 679 10.188 17.196 8.123 648 HB3 TYR 679 1HB TYR 679 10.131 16.518 6.512 649 HD1 TYR 679 1HD TYR 679 9.629 14.130 6.293 650 HD2 TYR 679 2HD TYR 679 9.367 16.105 9.960 651 HE1 TYR 679 1HE TYR 679 8.079 12.321 7.133 652 HE2 TYR 679 2HE TYR 679 7.881 14.355 10.861 653 HH TYR 679 HH TYR 679 6.361 12.688 10.042 654 H ASN 680 H ASN 680 11.168 15.346 9.884 655 HA ASN 680 HA ASN 680 12.784 17.256 11.334 656 HB2 ASN 680 2HB ASN 680 10.441 17.062 11.952 657 HB3 ASN 680 1HB ASN 680 10.654 15.355 12.301 658 HD21 ASN 680 2HD ASN 680 12.705 17.700 14.917 659 H ASN 681 H ASN 681 14.768 16.729 11.636 660 HA ASN 681 HA ASN 681 15.709 14.992 13.528 661 HB2 ASN 681 2HB ASN 681 15.093 13.167 11.876 662 HB3 ASN 681 1HB ASN 681 16.156 13.927 10.699 663 HD21 ASN 681 2HD ASN 681 17.622 11.532 13.597 664 H GLU 682 H GLU 682 18.013 15.420 13.709 665 HA GLU 682 HA GLU 682 18.854 17.860 12.596 666 HB2 GLU 682 2HB GLU 682 20.507 15.683 13.883 667 HB3 GLU 682 1HB GLU 682 21.096 17.295 13.519 668 HG2 GLU 682 2HG GLU 682 19.465 18.264 15.040 669 HG3 GLU 682 1HG GLU 682 18.816 16.662 15.376 670 H LYS 683 H LYS 683 19.523 14.520 11.623 671 HA LYS 683 HA LYS 683 21.195 15.388 9.430 672 HB2 LYS 683 2HB LYS 683 20.244 12.682 10.341 673 HB3 LYS 683 1HB LYS 683 21.392 12.994 9.045 674 HG2 LYS 683 2HG LYS 683 22.994 13.881 10.591 675 HG3 LYS 683 1HG LYS 683 21.826 13.788 11.910 676 HD2 LYS 683 2HD LYS 683 23.466 11.933 11.937 677 HD3 LYS 683 1HD LYS 683 21.800 11.373 11.772 678 HE2 LYS 683 2HE LYS 683 22.102 11.162 9.394 679 HE3 LYS 683 1HE LYS 683 23.770 11.723 9.516 680 HZ1 LYS 683 3HZ LYS 683 23.633 9.295 9.389 681 HZ2 LYS 683 1HZ LYS 683 22.680 9.255 10.779 682 HZ3 LYS 683 2HZ LYS 683 24.276 9.781 10.875 683 H ARG 684 H ARG 684 18.004 15.263 10.030 684 HA ARG 684 HA ARG 684 16.073 15.058 8.893 685 HB2 ARG 684 2HB ARG 684 17.899 15.729 6.626 686 HB3 ARG 684 1HB ARG 684 16.196 15.417 6.346 687 HG2 ARG 684 2HG ARG 684 16.552 17.778 6.459 688 HG3 ARG 684 1HG ARG 684 15.647 17.248 7.872 689 HD2 ARG 684 2HD ARG 684 17.690 17.340 9.207 690 HD3 ARG 684 1HD ARG 684 18.597 17.860 7.782 691 HE ARG 684 HE ARG 684 16.492 19.569 8.003 692 HH12 ARG 684 1HH ARG 684 19.377 20.308 10.759 693 HH21 ARG 684 2HH ARG 684 17.787 21.974 10.177 694 H THR 685 H THR 685 15.337 13.130 9.208 695 HA THR 685 HA THR 685 16.371 10.917 7.681 696 HB THR 685 HB THR 685 15.860 10.496 10.045 697 HG1 THR 685 1HG THR 685 14.556 8.636 9.747 698 HG21 THR 685 2HG THR 685 12.997 11.137 9.310 699 HA PRO 686 HA PRO 686 13.371 11.444 4.394 700 HB2 PRO 686 2HB PRO 686 13.928 8.589 3.867 701 HB3 PRO 686 1HB PRO 686 14.084 9.998 2.808 702 HG2 PRO 686 2HG PRO 686 16.237 8.763 3.829 703 HG3 PRO 686 1HG PRO 686 16.193 10.512 3.568 704 HD2 PRO 686 2HD PRO 686 15.911 8.967 6.101 705 HD3 PRO 686 1HD PRO 686 16.708 10.523 5.792 706 H ARG 687 H ARG 687 11.281 11.361 4.623 707 HA ARG 687 HA ARG 687 9.837 9.975 6.491 708 HB2 ARG 687 2HB ARG 687 9.073 11.974 5.333 709 HB3 ARG 687 1HB ARG 687 9.043 11.104 3.817 710 HG2 ARG 687 2HG ARG 687 7.282 9.683 4.661 711 HG3 ARG 687 1HG ARG 687 7.303 10.570 6.188 712 HD2 ARG 687 2HD ARG 687 6.771 11.861 3.501 713 HD3 ARG 687 1HD ARG 687 5.530 11.249 4.598 714 HE ARG 687 HE ARG 687 5.997 12.941 6.104 715 HH12 ARG 687 1HH ARG 687 8.104 15.053 3.420 716 HH21 ARG 687 2HH ARG 687 7.043 16.136 5.133 717 H ALA 688 H ALA 688 8.572 8.138 6.412 718 HA ALA 688 HA ALA 688 8.906 6.337 4.133 719 HB1 ALA 688 1HB ALA 688 10.518 5.702 5.869 720 HB2 ALA 688 2HB ALA 688 9.255 4.485 5.690 721 HB3 ALA 688 3HB ALA 688 9.214 5.606 7.051 722 H THR 689 H THR 689 7.283 4.674 4.123 723 HA THR 689 HA THR 689 4.819 5.317 5.623 724 HB THR 689 HB THR 689 4.959 4.433 2.733 725 HG1 THR 689 1HG THR 689 5.632 6.591 3.333 726 HG21 THR 689 2HG THR 689 2.630 5.366 4.409 727 H LEU 690 H LEU 690 4.047 3.534 6.679 728 HA LEU 690 HA LEU 690 4.874 0.974 5.623 729 HB2 LEU 690 2HB LEU 690 6.033 1.579 7.689 730 HB3 LEU 690 1HB LEU 690 4.484 1.797 8.484 731 HG LEU 690 HG LEU 690 4.001 -0.592 8.101 732 HD13 LEU 690 1HD LEU 690 5.883 -2.046 7.494 733 HD21 LEU 690 2HD LEU 690 4.890 0.199 10.184 734 H ILE 691 H ILE 691 3.105 0.024 4.887 735 HA ILE 691 HA ILE 691 0.471 0.627 6.006 736 HB ILE 691 HB ILE 691 1.199 -1.198 3.674 737 HG12 ILE 691 1HG ILE 691 0.004 0.370 2.250 738 HG23 ILE 691 2HG ILE 691 -0.764 -2.011 4.750 739 HD11 ILE 691 1HD ILE 691 1.600 2.230 2.138 740 H THR 692 H THR 692 -0.579 -0.794 7.321 741 HA THR 692 HA THR 692 0.697 -3.402 7.693 742 HB THR 692 HB THR 692 -1.070 -1.881 9.640 743 HG1 THR 692 1HG THR 692 1.609 -1.739 9.013 744 HG21 THR 692 2HG THR 692 0.799 -4.240 10.005 745 H PHE 693 H PHE 693 -0.493 -5.002 6.818 746 HA PHE 693 HA PHE 693 -3.258 -4.443 6.114 747 HB2 PHE 693 2HB PHE 693 -1.518 -6.819 5.379 748 HB3 PHE 693 1HB PHE 693 -3.116 -6.450 4.745 749 HD1 PHE 693 2HD PHE 693 -3.411 -4.568 3.174 750 HD2 PHE 693 1HD PHE 693 0.405 -5.770 4.560 751 HE1 PHE 693 2HE PHE 693 -2.321 -3.275 1.337 752 HE2 PHE 693 1HE PHE 693 1.476 -4.507 2.739 753 HZ PHE 693 HZ PHE 693 0.100 -3.272 1.131 754 H LEU 694 H LEU 694 -4.726 -5.001 7.510 755 HA LEU 694 HA LEU 694 -4.267 -7.319 9.257 756 HB2 LEU 694 2HB LEU 694 -6.201 -5.011 9.601 757 HB3 LEU 694 1HB LEU 694 -6.094 -6.384 10.670 758 HG LEU 694 HG LEU 694 -5.099 -4.581 11.762 759 HD13 LEU 694 1HD LEU 694 -2.779 -5.236 12.102 760 HD21 LEU 694 2HD LEU 694 -3.412 -4.064 9.321 761 H CYS 695 H CYS 695 -5.926 -8.830 9.428 762 HA CYS 695 HA CYS 695 -7.837 -8.667 7.230 763 HB2 CYS 695 2HB CYS 695 -6.438 -10.622 6.961 764 HB3 CYS 695 1HB CYS 695 -6.742 -11.121 8.620 765 H ASP 696 H ASP 696 -9.039 -7.247 8.595 766 HA ASP 696 HA ASP 696 -10.597 -8.626 10.641 767 HB2 ASP 696 2HB ASP 696 -9.914 -6.395 11.276 768 HB3 ASP 696 1HB ASP 696 -10.579 -5.729 9.789 769 H ARG 697 H ARG 697 -12.238 -9.771 9.964 770 HA ARG 697 HA ARG 697 -14.109 -10.461 8.890 771 HB2 ARG 697 2HB ARG 697 -14.488 -7.476 8.630 772 HB3 ARG 697 1HB ARG 697 -15.753 -8.663 8.360 773 HG2 ARG 697 2HG ARG 697 -15.616 -9.371 10.689 774 HG3 ARG 697 1HG ARG 697 -14.283 -8.249 10.963 775 HD2 ARG 697 2HD ARG 697 -17.082 -7.490 10.143 776 HD3 ARG 697 1HD ARG 697 -16.415 -7.351 11.768 777 HE ARG 697 HE ARG 697 -14.661 -5.915 10.471 778 HH12 ARG 697 1HH ARG 697 -18.314 -4.306 9.607 779 HH21 ARG 697 2HH ARG 697 -16.320 -2.980 9.437 780 H ASP 698 H ASP 698 -15.523 -9.634 6.702 781 HA ASP 698 HA ASP 698 -13.628 -10.015 4.544 782 HB2 ASP 698 2HB ASP 698 -15.753 -11.228 4.402 783 HB3 ASP 698 1HB ASP 698 -16.643 -9.712 4.486 784 H ALA 699 H ALA 699 -12.587 -8.344 3.830 785 HA ALA 699 HA ALA 699 -14.054 -5.804 3.534 786 HB1 ALA 699 1HB ALA 699 -11.125 -6.152 4.162 787 HB2 ALA 699 2HB ALA 699 -12.375 -5.670 5.310 788 HB3 ALA 699 3HB ALA 699 -11.967 -4.615 3.954 789 H GLY 700 H GLY 700 -12.869 -8.302 1.886 790 HA2 GLY 700 2HA GLY 700 -12.358 -8.652 -0.315 791 HA3 GLY 700 1HA GLY 700 -12.915 -7.010 -0.600 792 H VAL 701 H VAL 701 -11.491 -5.766 -1.477 793 HA VAL 701 HA VAL 701 -8.731 -6.500 -1.688 794 HB VAL 701 HB VAL 701 -10.102 -3.952 -2.601 795 HG13 VAL 701 1HG VAL 701 -8.275 -3.785 -4.211 796 HG21 VAL 701 2HG VAL 701 -11.208 -5.902 -3.559 797 H GLY 702 H GLY 702 -10.568 -4.135 0.096 798 HA2 GLY 702 2HA GLY 702 -9.918 -3.264 2.160 799 HA3 GLY 702 1HA GLY 702 -8.252 -3.647 1.774 800 H PHE 703 H PHE 703 -9.552 -1.217 2.755 801 HA PHE 703 HA PHE 703 -8.537 0.640 0.729 802 HB2 PHE 703 2HB PHE 703 -10.945 0.947 1.100 803 HB3 PHE 703 1HB PHE 703 -10.684 1.071 2.832 804 HD1 PHE 703 2HD PHE 703 -9.819 2.713 -0.386 805 HD2 PHE 703 1HD PHE 703 -10.354 3.156 3.810 806 HE1 PHE 703 2HE PHE 703 -9.549 5.147 -0.608 807 HE2 PHE 703 1HE PHE 703 -10.083 5.593 3.593 808 HZ PHE 703 HZ PHE 703 -9.674 6.585 1.368 809 HA PRO 704 HA PRO 704 -5.558 1.383 4.010 810 HB2 PRO 704 2HB PRO 704 -4.247 3.470 2.829 811 HB3 PRO 704 1HB PRO 704 -3.940 1.780 2.435 812 HG2 PRO 704 2HG PRO 704 -5.488 3.818 0.921 813 HG3 PRO 704 1HG PRO 704 -4.523 2.463 0.327 814 HD2 PRO 704 2HD PRO 704 -7.282 2.495 0.482 815 HD3 PRO 704 1HD PRO 704 -6.284 1.030 0.412 816 H GLU 705 H GLU 705 -5.731 2.598 5.777 817 HA GLU 705 HA GLU 705 -7.044 5.206 5.594 818 HB2 GLU 705 2HB GLU 705 -7.261 3.105 7.743 819 HB3 GLU 705 1HB GLU 705 -8.002 4.708 7.847 820 HG2 GLU 705 2HG GLU 705 -9.319 4.139 5.810 821 HG3 GLU 705 1HG GLU 705 -8.625 2.529 5.861 822 H TYR 706 H TYR 706 -6.288 6.768 7.105 823 HA TYR 706 HA TYR 706 -3.461 6.306 7.719 824 HB2 TYR 706 2HB TYR 706 -3.868 8.084 6.126 825 HB3 TYR 706 1HB TYR 706 -4.976 8.860 7.239 826 HD1 TYR 706 1HD TYR 706 -1.465 7.554 7.472 827 HD2 TYR 706 2HD TYR 706 -4.114 10.820 8.144 828 HE1 TYR 706 1HE TYR 706 0.382 8.858 8.414 829 HE2 TYR 706 2HE TYR 706 -2.278 12.124 9.084 830 HH TYR 706 HH TYR 706 -0.172 11.678 10.164 831 H GLN 707 H GLN 707 -2.665 6.443 9.652 832 HA GLN 707 HA GLN 707 -4.202 6.716 12.044 833 HB2 GLN 707 2HB GLN 707 -1.322 6.346 11.308 834 HB3 GLN 707 1HB GLN 707 -1.689 6.858 12.938 835 HG2 GLN 707 2HG GLN 707 -1.322 4.396 12.486 836 HG3 GLN 707 1HG GLN 707 -2.749 4.798 13.461 837 HE21 GLN 707 2HE GLN 707 -2.958 2.853 9.949 838 H GLU 708 H GLU 708 -2.427 8.357 13.652 839 HA GLU 708 HA GLU 708 -3.393 10.924 12.767 840 HB2 GLU 708 2HB GLU 708 -3.536 10.314 15.165 841 HB3 GLU 708 1HB GLU 708 -1.786 10.209 15.233 842 HG2 GLU 708 2HG GLU 708 -2.633 12.276 16.220 843 HG3 GLU 708 1HG GLU 708 -1.588 12.581 14.832 844 H GLU 709 H GLU 709 -0.169 9.739 13.780 845 HA GLU 709 HA GLU 709 1.175 10.627 11.513 846 HB2 GLU 709 2HB GLU 709 0.499 12.885 12.442 847 HB3 GLU 709 1HB GLU 709 1.431 12.529 13.881 848 HG2 GLU 709 2HG GLU 709 3.477 12.594 12.634 849 HG3 GLU 709 1HG GLU 709 2.598 12.709 11.109 850 H ASP 710 H ASP 710 3.690 10.839 12.201 851 HA ASP 710 HA ASP 710 4.415 9.196 14.458 852 HB2 ASP 710 2HB ASP 710 3.878 7.519 12.718 853 HB3 ASP 710 1HB ASP 710 4.932 8.346 11.585 854 H ASN 711 H ASN 711 6.907 9.039 14.400 855 HA ASN 711 HA ASN 711 8.018 11.597 14.192 856 HB2 ASN 711 2HB ASN 711 8.905 9.874 15.698 857 HB3 ASN 711 1HB ASN 711 9.408 8.906 14.323 858 HD21 ASN 711 2HD ASN 711 12.555 10.295 14.914 859 H SER 712 H SER 712 7.952 8.904 11.901 860 HA SER 712 HA SER 712 8.304 10.649 9.724 861 HB2 SER 712 2HB SER 712 10.485 9.798 8.816 862 HB3 SER 712 1HB SER 712 10.618 10.789 10.258 863 HG SER 712 HG SER 712 10.314 8.292 11.046 864 H THR 713 H THR 713 7.643 7.511 10.913 865 HA THR 713 HA THR 713 7.352 6.512 8.179 866 HB THR 713 HB THR 713 7.331 4.953 10.785 867 HG1 THR 713 1HG THR 713 9.362 5.944 10.136 868 HG21 THR 713 2HG THR 713 7.553 2.987 9.327 869 H TYR 714 H TYR 714 5.379 7.116 7.535 870 HA TYR 714 HA TYR 714 3.164 7.481 9.301 871 HB2 TYR 714 2HB TYR 714 3.328 7.383 6.280 872 HB3 TYR 714 1HB TYR 714 1.857 7.765 7.159 873 HD1 TYR 714 1HD TYR 714 5.324 8.939 7.890 874 HD2 TYR 714 2HD TYR 714 1.451 10.011 6.498 875 HE1 TYR 714 1HE TYR 714 5.970 11.289 7.906 876 HE2 TYR 714 2HE TYR 714 2.101 12.370 6.522 877 HH TYR 714 HH TYR 714 3.791 13.817 7.637 878 H ASN 715 H ASN 715 1.928 5.931 10.126 879 HA ASN 715 HA ASN 715 2.045 3.286 8.922 880 HB2 ASN 715 2HB ASN 715 2.262 3.558 11.411 881 HB3 ASN 715 1HB ASN 715 0.593 4.113 11.441 882 HD21 ASN 715 2HD ASN 715 0.969 0.249 10.105 883 H PHE 716 H PHE 716 0.507 2.416 7.779 884 HA PHE 716 HA PHE 716 -2.059 3.773 7.736 885 HB2 PHE 716 2HB PHE 716 -0.527 2.551 5.489 886 HB3 PHE 716 1HB PHE 716 -2.273 2.736 5.363 887 HD1 PHE 716 2HD PHE 716 0.923 4.526 5.729 888 HD2 PHE 716 1HD PHE 716 -3.259 4.859 5.068 889 HE1 PHE 716 2HE PHE 716 1.207 6.891 5.106 890 HE2 PHE 716 1HE PHE 716 -2.980 7.209 4.440 891 HZ PHE 716 HZ PHE 716 -0.764 8.228 4.466 892 H ARG 717 H ARG 717 -3.854 2.742 7.841 893 HA ARG 717 HA ARG 717 -3.748 0.024 8.951 894 HB2 ARG 717 2HB ARG 717 -4.780 2.046 10.146 895 HB3 ARG 717 1HB ARG 717 -6.005 2.043 8.901 896 HG2 ARG 717 2HG ARG 717 -6.906 0.984 10.827 897 HG3 ARG 717 1HG ARG 717 -6.615 -0.269 9.620 898 HD2 ARG 717 2HD ARG 717 -4.579 -0.937 10.729 899 HD3 ARG 717 1HD ARG 717 -4.711 0.412 11.856 900 HE ARG 717 HE ARG 717 -7.018 -1.226 11.999 901 HH12 ARG 717 1HH ARG 717 -3.880 -2.167 14.347 902 HH21 ARG 717 2HH ARG 717 -6.020 -2.985 14.833 903 H TRP 718 H TRP 718 -4.161 -1.494 7.349 904 HA TRP 718 HA TRP 718 -6.140 -0.775 5.285 905 HB2 TRP 718 2HB TRP 718 -3.711 -0.815 4.534 906 HB3 TRP 718 1HB TRP 718 -3.685 -2.521 4.923 907 HD1 TRP 718 HD TRP 718 -6.304 -3.531 3.495 908 HE1 TRP 718 1HE TRP 718 -6.494 -3.466 0.908 909 HE3 TRP 718 3HE TRP 718 -2.710 0.020 2.438 910 HZ2 TRP 718 2HZ TRP 718 -5.317 -2.135 -1.230 911 HZ3 TRP 718 3HZ TRP 718 -2.331 0.601 0.103 912 HH2 TRP 718 HH TRP 718 -3.601 -0.454 -1.697 913 H TYR 719 H TYR 719 -7.908 -2.037 5.704 914 HA TYR 719 HA TYR 719 -7.477 -4.708 6.797 915 HB2 TYR 719 2HB TYR 719 -10.057 -3.172 6.385 916 HB3 TYR 719 1HB TYR 719 -9.942 -4.779 7.083 917 HD1 TYR 719 2HD TYR 719 -8.297 -4.938 9.145 918 HD2 TYR 719 1HD TYR 719 -10.176 -1.372 7.819 919 HE1 TYR 719 2HE TYR 719 -8.002 -3.957 11.375 920 HE2 TYR 719 1HE TYR 719 -9.884 -0.380 10.035 921 HH TYR 719 HH TYR 719 -9.570 -1.119 12.344 922 H THR 720 H THR 720 -7.106 -6.189 5.329 923 HA THR 720 HA THR 720 -8.862 -6.243 3.031 924 HB THR 720 HB THR 720 -6.873 -5.255 2.119 925 HG1 THR 720 1HG THR 720 -7.159 -6.435 0.506 926 HG21 THR 720 2HG THR 720 -4.715 -6.351 2.175 927 H SER 721 H SER 721 -9.357 -8.198 2.224 928 HA SER 721 HA SER 721 -9.336 -10.334 4.104 929 HB2 SER 721 2HB SER 721 -11.259 -9.869 2.594 930 HB3 SER 721 1HB SER 721 -10.258 -10.297 1.212 931 HG SER 721 HG SER 721 -10.697 -12.057 3.366 932 H TYR 722 H TYR 722 -7.359 -9.389 1.450 933 HA TYR 722 HA TYR 722 -6.292 -11.977 0.895 934 HB2 TYR 722 2HB TYR 722 -5.352 -9.235 0.057 935 HB3 TYR 722 1HB TYR 722 -4.654 -10.743 -0.518 936 HD1 TYR 722 1HD TYR 722 -7.578 -8.529 -0.670 937 HD2 TYR 722 2HD TYR 722 -5.860 -12.153 -2.083 938 HE1 TYR 722 1HE TYR 722 -9.264 -8.626 -2.446 939 HE2 TYR 722 2HE TYR 722 -7.547 -12.257 -3.869 940 HH TYR 722 HH TYR 722 -9.815 -11.400 -4.260 941 H ALA 723 H ALA 723 -5.737 -9.799 3.410 942 HA ALA 723 HA ALA 723 -2.936 -10.326 3.787 943 HB1 ALA 723 1HB ALA 723 -4.942 -9.118 5.680 944 HB2 ALA 723 2HB ALA 723 -3.948 -8.238 4.520 945 HB3 ALA 723 3HB ALA 723 -3.188 -9.092 5.862 946 H CYS 724 H CYS 724 -5.550 -12.277 4.206 947 HA CYS 724 HA CYS 724 -4.149 -13.809 6.244 948 HB2 CYS 724 2HB CYS 724 -6.440 -14.525 7.067 949 HB3 CYS 724 1HB CYS 724 -5.995 -12.862 7.429 950 HA PRO 725 HA PRO 725 -4.378 -16.963 3.155 951 HB2 PRO 725 2HB PRO 725 -3.987 -19.155 4.757 952 HB3 PRO 725 1HB PRO 725 -2.686 -18.071 4.262 953 HG2 PRO 725 2HG PRO 725 -4.197 -18.162 6.839 954 HG3 PRO 725 1HG PRO 725 -2.467 -17.903 6.562 955 HD2 PRO 725 2HD PRO 725 -4.179 -15.870 7.096 956 HD3 PRO 725 1HD PRO 725 -2.755 -15.669 6.062 Start of MODEL 19 1 H1 GLU 578 1HT GLU 578 20.210 -26.938 18.994 2 H2 GLU 578 2HT GLU 578 20.860 -27.576 17.579 3 H3 GLU 578 3HT GLU 578 19.306 -28.050 18.127 4 HA GLU 578 HA GLU 578 20.050 -25.324 17.337 5 HB2 GLU 578 2HB GLU 578 18.368 -27.374 15.893 6 HB3 GLU 578 1HB GLU 578 18.477 -25.683 15.445 7 HG2 GLU 578 2HG GLU 578 20.858 -25.970 14.978 8 HG3 GLU 578 1HG GLU 578 20.737 -27.670 15.422 9 H ALA 579 H ALA 579 19.006 -24.092 18.699 10 HA ALA 579 HA ALA 579 16.181 -24.690 19.128 11 HB1 ALA 579 1HB ALA 579 16.343 -23.638 21.333 12 HB2 ALA 579 2HB ALA 579 18.059 -23.337 21.076 13 HB3 ALA 579 3HB ALA 579 17.468 -24.991 21.211 14 H GLU 580 H GLU 580 15.346 -23.452 17.590 15 HA GLU 580 HA GLU 580 16.363 -20.846 17.013 16 HB2 GLU 580 2HB GLU 580 13.834 -22.192 16.065 17 HB3 GLU 580 1HB GLU 580 14.510 -20.712 15.406 18 HG2 GLU 580 2HG GLU 580 15.754 -23.458 15.299 19 HG3 GLU 580 1HG GLU 580 15.006 -22.594 13.961 20 H ALA 581 H ALA 581 16.014 -19.249 18.354 21 HA ALA 581 HA ALA 581 13.503 -19.093 19.871 22 HB1 ALA 581 1HB ALA 581 14.723 -17.544 21.325 23 HB2 ALA 581 2HB ALA 581 16.136 -17.668 20.279 24 HB3 ALA 581 3HB ALA 581 15.584 -19.076 21.183 25 H GLU 582 H GLU 582 14.191 -18.263 17.007 26 HA GLU 582 HA GLU 582 13.524 -15.426 17.236 27 HB2 GLU 582 2HB GLU 582 14.630 -16.953 14.902 28 HB3 GLU 582 1HB GLU 582 14.256 -15.240 14.899 29 HG2 GLU 582 2HG GLU 582 15.967 -14.851 16.573 30 HG3 GLU 582 1HG GLU 582 16.322 -16.578 16.629 31 H PHE 583 H PHE 583 11.326 -15.854 17.639 32 HA PHE 583 HA PHE 583 9.849 -16.832 15.300 33 HB2 PHE 583 2HB PHE 583 9.281 -17.929 17.443 34 HB3 PHE 583 1HB PHE 583 8.874 -16.365 18.137 35 HD1 PHE 583 1HD PHE 583 7.881 -18.862 15.608 36 HD2 PHE 583 2HD PHE 583 6.742 -15.386 17.785 37 HE1 PHE 583 1HE PHE 583 5.564 -19.130 14.821 38 HE2 PHE 583 2HE PHE 583 4.430 -15.646 17.002 39 HZ PHE 583 HZ PHE 583 3.836 -17.519 15.519 40 H LEU 584 H LEU 584 10.560 -14.105 17.247 41 HA LEU 584 HA LEU 584 8.457 -12.457 16.240 42 HB2 LEU 584 2HB LEU 584 9.631 -10.608 17.468 43 HB3 LEU 584 1HB LEU 584 9.148 -11.968 18.445 44 HG LEU 584 HG LEU 584 11.543 -12.767 18.374 45 HD13 LEU 584 1HD LEU 584 12.105 -10.044 17.237 46 HD21 LEU 584 2HD LEU 584 10.640 -11.635 20.312 47 H SER 585 H SER 585 10.807 -13.644 14.578 48 HA SER 585 HA SER 585 12.255 -11.598 13.362 49 HB2 SER 585 2HB SER 585 11.407 -14.270 12.264 50 HB3 SER 585 1HB SER 585 12.777 -13.301 11.727 51 HG SER 585 HG SER 585 13.543 -13.481 13.939 52 H ARG 586 H ARG 586 11.872 -10.384 11.560 53 HA ARG 586 HA ARG 586 9.240 -10.562 10.272 54 HB2 ARG 586 2HB ARG 586 9.707 -8.411 11.387 55 HB3 ARG 586 1HB ARG 586 11.211 -8.276 10.498 56 HG2 ARG 586 2HG ARG 586 9.978 -8.067 8.409 57 HG3 ARG 586 1HG ARG 586 8.455 -8.246 9.281 58 HD2 ARG 586 2HD ARG 586 8.901 -5.889 8.832 59 HD3 ARG 586 1HD ARG 586 8.949 -6.217 10.557 60 HE ARG 586 HE ARG 586 11.540 -6.407 9.437 61 HH12 ARG 586 1HH ARG 586 10.257 -2.789 10.688 62 HH21 ARG 586 2HH ARG 586 12.518 -3.194 10.518 63 H THR 587 H THR 587 9.241 -11.066 8.152 64 HA THR 587 HA THR 587 11.867 -11.382 6.865 65 HB THR 587 HB THR 587 9.277 -12.847 6.284 66 HG1 THR 587 1HG THR 587 9.883 -14.271 7.630 67 HG21 THR 587 2HG THR 587 10.794 -12.678 4.352 68 H GLU 588 H GLU 588 12.192 -10.358 4.905 69 HA GLU 588 HA GLU 588 9.866 -8.930 3.849 70 HB2 GLU 588 2HB GLU 588 11.408 -7.232 2.935 71 HB3 GLU 588 1HB GLU 588 11.442 -7.321 4.684 72 HG2 GLU 588 2HG GLU 588 13.540 -8.599 4.555 73 HG3 GLU 588 1HG GLU 588 13.490 -8.475 2.798 74 H GLY 589 H GLY 589 9.351 -9.009 1.827 75 HA2 GLY 589 2HA GLY 589 10.832 -10.850 0.082 76 HA3 GLY 589 1HA GLY 589 9.164 -10.311 -0.154 77 H ASP 590 H ASP 590 10.785 -10.072 -2.264 78 HA ASP 590 HA ASP 590 11.799 -7.333 -2.111 79 HB2 ASP 590 2HB ASP 590 12.548 -9.497 -4.036 80 HB3 ASP 590 1HB ASP 590 13.033 -7.824 -4.252 81 H ASN 591 H ASN 591 10.147 -9.239 -4.623 82 HA ASN 591 HA ASN 591 9.214 -6.630 -5.536 83 HB2 ASN 591 2HB ASN 591 9.607 -9.108 -7.210 84 HB3 ASN 591 1HB ASN 591 8.826 -7.647 -7.791 85 HD21 ASN 591 2HD ASN 591 12.843 -7.884 -7.508 86 H CYS 592 H CYS 592 7.535 -6.526 -4.106 87 HA CYS 592 HA CYS 592 5.314 -6.370 -3.709 88 HB2 CYS 592 2HB CYS 592 5.415 -6.085 -6.279 89 HB3 CYS 592 1HB CYS 592 4.841 -7.744 -6.357 90 H THR 593 H THR 593 6.888 -8.806 -3.077 91 HA THR 593 HA THR 593 4.749 -10.686 -2.519 92 HB THR 593 HB THR 593 6.427 -12.496 -3.200 93 HG1 THR 593 1HG THR 593 7.432 -10.556 -4.935 94 HG21 THR 593 2HG THR 593 4.408 -12.038 -4.534 95 H VAL 594 H VAL 594 5.438 -12.185 -0.835 96 HA VAL 594 HA VAL 594 7.968 -11.796 0.397 97 HB VAL 594 HB VAL 594 6.816 -10.068 1.594 98 HG13 VAL 594 1HG VAL 594 4.720 -10.462 2.854 99 HG21 VAL 594 2HG VAL 594 6.905 -10.876 3.900 100 H PHE 595 H PHE 595 8.737 -13.619 1.146 101 HA PHE 595 HA PHE 595 6.884 -15.747 1.737 102 HB2 PHE 595 2HB PHE 595 8.255 -17.367 0.461 103 HB3 PHE 595 1HB PHE 595 7.542 -16.142 -0.577 104 HD1 PHE 595 1HD PHE 595 8.983 -14.400 -1.595 105 HD2 PHE 595 2HD PHE 595 10.613 -17.588 0.705 106 HE1 PHE 595 1HE PHE 595 11.214 -13.932 -2.528 107 HE2 PHE 595 2HE PHE 595 12.841 -17.127 -0.225 108 HZ PHE 595 HZ PHE 595 13.145 -15.297 -1.841 109 H ASP 596 H ASP 596 7.435 -16.889 3.400 110 HA ASP 596 HA ASP 596 9.925 -16.241 4.805 111 HB2 ASP 596 2HB ASP 596 7.285 -17.404 5.660 112 HB3 ASP 596 1HB ASP 596 8.664 -17.481 6.723 113 H SER 597 H SER 597 11.506 -17.662 4.373 114 HA SER 597 HA SER 597 11.046 -20.256 3.366 115 HB2 SER 597 2HB SER 597 13.541 -19.071 4.614 116 HB3 SER 597 1HB SER 597 13.476 -20.526 3.618 117 HG SER 597 HG SER 597 12.489 -19.056 2.004 118 H GLN 598 H GLN 598 11.864 -18.986 6.559 119 HA GLN 598 HA GLN 598 11.963 -21.589 7.667 120 HB2 GLN 598 2HB GLN 598 11.934 -20.400 9.919 121 HB3 GLN 598 1HB GLN 598 13.367 -20.271 8.908 122 HG2 GLN 598 2HG GLN 598 12.851 -18.171 10.069 123 HG3 GLN 598 1HG GLN 598 12.699 -17.978 8.337 124 HE21 GLN 598 2HE GLN 598 9.411 -16.908 8.454 125 H ALA 599 H ALA 599 9.434 -19.456 7.274 126 HA ALA 599 HA ALA 599 7.741 -21.070 9.032 127 HB1 ALA 599 1HB ALA 599 7.507 -18.630 9.143 128 HB2 ALA 599 2HB ALA 599 6.003 -19.424 8.676 129 HB3 ALA 599 3HB ALA 599 6.981 -18.613 7.458 130 H GLY 600 H GLY 600 8.616 -20.879 5.749 131 HA2 GLY 600 2HA GLY 600 7.878 -21.939 3.863 132 HA3 GLY 600 1HA GLY 600 7.021 -23.044 4.944 133 H PHE 601 H PHE 601 6.748 -19.607 4.245 134 HA PHE 601 HA PHE 601 3.857 -19.947 3.785 135 HB2 PHE 601 2HB PHE 601 4.351 -19.455 6.166 136 HB3 PHE 601 1HB PHE 601 5.204 -18.011 5.668 137 HD1 PHE 601 1HD PHE 601 1.965 -19.636 5.957 138 HD2 PHE 601 2HD PHE 601 4.021 -16.003 5.098 139 HE1 PHE 601 1HE PHE 601 -0.138 -18.399 6.166 140 HE2 PHE 601 2HE PHE 601 1.925 -14.777 5.304 141 HZ PHE 601 HZ PHE 601 -0.157 -15.968 5.838 142 H SER 602 H SER 602 3.074 -18.411 2.218 143 HA SER 602 HA SER 602 4.836 -16.208 1.596 144 HB2 SER 602 2HB SER 602 4.688 -16.658 -0.860 145 HB3 SER 602 1HB SER 602 5.603 -17.870 0.034 146 HG SER 602 HG SER 602 4.052 -19.303 -0.248 147 H PHE 603 H PHE 603 3.904 -14.390 0.790 148 HA PHE 603 HA PHE 603 1.097 -14.437 0.011 149 HB2 PHE 603 2HB PHE 603 2.240 -12.731 2.186 150 HB3 PHE 603 1HB PHE 603 1.049 -12.027 1.121 151 HD1 PHE 603 2HD PHE 603 -0.783 -14.367 0.778 152 HD2 PHE 603 1HD PHE 603 1.183 -12.828 4.214 153 HE1 PHE 603 2HE PHE 603 -2.581 -15.249 2.194 154 HE2 PHE 603 1HE PHE 603 -0.620 -13.697 5.634 155 HZ PHE 603 HZ PHE 603 -2.505 -14.904 4.626 156 H ASP 604 H ASP 604 0.617 -13.131 -1.649 157 HA ASP 604 HA ASP 604 2.522 -11.038 -2.268 158 HB2 ASP 604 2HB ASP 604 2.288 -11.371 -4.664 159 HB3 ASP 604 1HB ASP 604 2.755 -12.896 -3.931 160 H LEU 605 H LEU 605 1.625 -9.098 -2.544 161 HA LEU 605 HA LEU 605 -1.307 -9.028 -2.318 162 HB2 LEU 605 2HB LEU 605 0.765 -7.035 -1.443 163 HB3 LEU 605 1HB LEU 605 -0.943 -6.661 -1.504 164 HG LEU 605 HG LEU 605 -0.353 -7.067 0.668 165 HD13 LEU 605 1HD LEU 605 -1.782 -8.980 1.355 166 HD21 LEU 605 2HD LEU 605 0.579 -9.234 1.517 167 H THR 606 H THR 606 0.441 -9.269 -4.504 168 HA THR 606 HA THR 606 0.673 -7.286 -6.319 169 HB THR 606 HB THR 606 -0.408 -9.986 -7.100 170 HG1 THR 606 1HG THR 606 1.171 -10.816 -6.084 171 HG21 THR 606 2HG THR 606 1.194 -9.702 -8.920 172 HA PRO 607 HA PRO 607 -4.047 -7.864 -7.763 173 HB2 PRO 607 2HB PRO 607 -5.760 -8.723 -5.786 174 HB3 PRO 607 1HB PRO 607 -5.075 -9.770 -7.031 175 HG2 PRO 607 2HG PRO 607 -4.181 -9.359 -4.204 176 HG3 PRO 607 1HG PRO 607 -4.315 -10.861 -5.130 177 HD2 PRO 607 2HD PRO 607 -1.949 -9.669 -4.749 178 HD3 PRO 607 1HD PRO 607 -2.345 -10.480 -6.279 179 H LEU 608 H LEU 608 -2.949 -6.745 -4.624 180 HA LEU 608 HA LEU 608 -5.111 -4.884 -4.343 181 HB2 LEU 608 2HB LEU 608 -2.593 -5.351 -2.772 182 HB3 LEU 608 1HB LEU 608 -3.684 -4.032 -2.430 183 HG LEU 608 HG LEU 608 -5.443 -5.804 -1.920 184 HD13 LEU 608 1HD LEU 608 -4.504 -7.655 -3.104 185 HD21 LEU 608 2HD LEU 608 -2.941 -5.766 -0.252 186 H THR 609 H THR 609 -2.182 -5.033 -6.001 187 HA THR 609 HA THR 609 -1.502 -2.284 -5.829 188 HB THR 609 HB THR 609 -0.629 -4.435 -7.763 189 HG1 THR 609 1HG THR 609 1.191 -4.496 -6.273 190 HG21 THR 609 2HG THR 609 1.312 -2.977 -8.139 191 H LYS 610 H LYS 610 -2.278 -0.654 -6.983 192 HA LYS 610 HA LYS 610 -4.140 -1.217 -9.221 193 HB2 LYS 610 2HB LYS 610 -4.043 1.106 -7.334 194 HB3 LYS 610 1HB LYS 610 -5.164 0.931 -8.659 195 HG2 LYS 610 2HG LYS 610 -6.172 -1.012 -7.481 196 HG3 LYS 610 1HG LYS 610 -5.005 -0.768 -6.187 197 HD2 LYS 610 2HD LYS 610 -7.065 0.302 -5.539 198 HD3 LYS 610 1HD LYS 610 -5.846 1.526 -5.853 199 HE2 LYS 610 2HE LYS 610 -6.864 1.758 -8.154 200 HE3 LYS 610 1HE LYS 610 -8.136 0.683 -7.529 201 HZ1 LYS 610 3HZ LYS 610 -7.424 3.327 -6.375 202 HZ2 LYS 610 1HZ LYS 610 -8.651 2.313 -5.825 203 HZ3 LYS 610 2HZ LYS 610 -8.770 3.028 -7.335 204 H LYS 611 H LYS 611 -3.855 0.015 -11.080 205 HA LYS 611 HA LYS 611 -1.433 1.527 -11.367 206 HB2 LYS 611 2HB LYS 611 -2.235 2.058 -13.613 207 HB3 LYS 611 1HB LYS 611 -2.347 0.333 -13.298 208 HG2 LYS 611 2HG LYS 611 -4.738 0.507 -12.956 209 HG3 LYS 611 1HG LYS 611 -4.666 2.260 -13.122 210 HD2 LYS 611 2HD LYS 611 -3.925 0.276 -15.271 211 HD3 LYS 611 1HD LYS 611 -5.469 1.125 -15.167 212 HE2 LYS 611 2HE LYS 611 -4.294 3.270 -15.370 213 HE3 LYS 611 1HE LYS 611 -2.755 2.426 -15.469 214 HZ1 LYS 611 3HZ LYS 611 -3.596 3.082 -17.628 215 HZ2 LYS 611 1HZ LYS 611 -4.985 2.159 -17.391 216 HZ3 LYS 611 2HZ LYS 611 -3.486 1.385 -17.500 217 H ASP 612 H ASP 612 -4.620 2.161 -10.389 218 HA ASP 612 HA ASP 612 -4.487 5.040 -10.817 219 HB2 ASP 612 2HB ASP 612 -6.597 3.931 -11.276 220 HB3 ASP 612 1HB ASP 612 -6.626 3.253 -9.657 221 H ALA 613 H ALA 613 -3.821 2.773 -8.398 222 HA ALA 613 HA ALA 613 -3.085 2.826 -6.292 223 HB1 ALA 613 1HB ALA 613 -1.604 4.654 -7.058 224 HB2 ALA 613 2HB ALA 613 -2.063 4.833 -5.364 225 HB3 ALA 613 3HB ALA 613 -2.838 5.826 -6.600 226 H TYR 614 H TYR 614 -3.484 3.876 -4.099 227 HA TYR 614 HA TYR 614 -6.400 4.129 -3.736 228 HB2 TYR 614 2HB TYR 614 -4.228 3.291 -1.824 229 HB3 TYR 614 1HB TYR 614 -5.910 3.486 -1.355 230 HD1 TYR 614 2HD TYR 614 -3.538 1.494 -3.352 231 HD2 TYR 614 1HD TYR 614 -7.555 1.862 -1.988 232 HE1 TYR 614 2HE TYR 614 -3.986 -0.717 -4.116 233 HE2 TYR 614 1HE TYR 614 -8.015 -0.432 -2.781 234 HH TYR 614 HH TYR 614 -5.474 -2.491 -3.763 235 H LYS 615 H LYS 615 -7.257 5.691 -2.298 236 HA LYS 615 HA LYS 615 -5.386 7.825 -1.715 237 HB2 LYS 615 2HB LYS 615 -7.197 9.470 -2.244 238 HB3 LYS 615 1HB LYS 615 -6.537 8.596 -3.600 239 HG2 LYS 615 2HG LYS 615 -8.817 8.595 -4.055 240 HG3 LYS 615 1HG LYS 615 -8.513 7.031 -3.298 241 HD2 LYS 615 2HD LYS 615 -10.584 8.009 -2.492 242 HD3 LYS 615 1HD LYS 615 -9.394 7.800 -1.208 243 HE2 LYS 615 2HE LYS 615 -8.846 10.165 -1.330 244 HE3 LYS 615 1HE LYS 615 -9.972 10.371 -2.664 245 HZ1 LYS 615 3HZ LYS 615 -11.772 9.757 -1.246 246 HZ2 LYS 615 1HZ LYS 615 -10.972 11.023 -0.510 247 HZ3 LYS 615 2HZ LYS 615 -10.785 9.424 0.032 248 H VAL 616 H VAL 616 -5.324 8.541 0.232 249 HA VAL 616 HA VAL 616 -7.519 7.892 2.118 250 HB VAL 616 HB VAL 616 -4.640 8.528 2.797 251 HG13 VAL 616 1HG VAL 616 -6.811 7.292 4.445 252 HG21 VAL 616 2HG VAL 616 -5.860 5.784 2.529 253 H GLU 617 H GLU 617 -8.477 9.760 2.967 254 HA GLU 617 HA GLU 617 -6.877 12.177 2.626 255 HB2 GLU 617 2HB GLU 617 -8.835 13.519 2.087 256 HB3 GLU 617 1HB GLU 617 -8.598 12.238 0.914 257 HG2 GLU 617 2HG GLU 617 -10.392 10.964 1.875 258 HG3 GLU 617 1HG GLU 617 -10.561 12.137 3.183 259 H THR 618 H THR 618 -6.859 13.641 4.117 260 HA THR 618 HA THR 618 -8.523 13.303 6.494 261 HB THR 618 HB THR 618 -6.552 14.120 7.822 262 HG1 THR 618 1HG THR 618 -5.205 13.731 5.357 263 HG21 THR 618 2HG THR 618 -5.996 11.574 6.276 264 H ASP 619 H ASP 619 -8.109 15.587 7.751 265 HA ASP 619 HA ASP 619 -9.018 17.634 5.990 266 HB2 ASP 619 2HB ASP 619 -7.880 17.870 8.791 267 HB3 ASP 619 1HB ASP 619 -8.643 19.182 7.915 268 H LYS 620 H LYS 620 -6.006 16.521 7.118 269 HA LYS 620 HA LYS 620 -4.504 18.916 6.551 270 HB2 LYS 620 2HB LYS 620 -3.616 16.155 7.340 271 HB3 LYS 620 1HB LYS 620 -2.573 17.564 7.261 272 HG2 LYS 620 2HG LYS 620 -3.823 18.618 9.062 273 HG3 LYS 620 1HG LYS 620 -4.946 17.259 9.097 274 HD2 LYS 620 2HD LYS 620 -1.979 17.097 9.694 275 HD3 LYS 620 1HD LYS 620 -3.266 17.122 10.902 276 HE2 LYS 620 2HE LYS 620 -4.177 15.040 9.915 277 HE3 LYS 620 1HE LYS 620 -2.829 15.003 8.788 278 HZ1 LYS 620 3HZ LYS 620 -2.546 13.559 10.723 279 HZ2 LYS 620 1HZ LYS 620 -2.578 14.862 11.745 280 HZ3 LYS 620 2HZ LYS 620 -1.294 14.671 10.680 281 H TYR 621 H TYR 621 -4.225 15.527 5.421 282 HA TYR 621 HA TYR 621 -3.174 16.574 2.857 283 HB2 TYR 621 2HB TYR 621 -2.137 14.123 4.269 284 HB3 TYR 621 1HB TYR 621 -1.508 14.868 2.818 285 HD1 TYR 621 2HD TYR 621 -0.339 17.111 3.046 286 HD2 TYR 621 1HD TYR 621 -1.402 14.725 6.390 287 HE1 TYR 621 2HE TYR 621 1.269 18.339 4.423 288 HE2 TYR 621 1HE TYR 621 0.211 15.937 7.783 289 HH TYR 621 HH TYR 621 1.564 18.830 6.840 290 H GLU 622 H GLU 622 -3.364 15.056 1.140 291 HA GLU 622 HA GLU 622 -5.068 12.773 1.704 292 HB2 GLU 622 2HB GLU 622 -5.715 12.796 -0.703 293 HB3 GLU 622 1HB GLU 622 -6.244 14.240 0.137 294 HG2 GLU 622 2HG GLU 622 -4.470 15.516 -0.873 295 HG3 GLU 622 1HG GLU 622 -3.799 14.059 -1.601 296 H PHE 623 H PHE 623 -4.233 10.874 1.268 297 HA PHE 623 HA PHE 623 -1.422 10.866 0.381 298 HB2 PHE 623 2HB PHE 623 -2.865 8.833 2.094 299 HB3 PHE 623 1HB PHE 623 -1.157 8.869 1.715 300 HD1 PHE 623 2HD PHE 623 -3.829 10.514 3.641 301 HD2 PHE 623 1HD PHE 623 0.353 10.255 2.918 302 HE1 PHE 623 2HE PHE 623 -3.405 11.832 5.666 303 HE2 PHE 623 1HE PHE 623 0.784 11.577 4.943 304 HZ PHE 623 HZ PHE 623 -1.093 12.365 6.320 305 H HIS 624 H HIS 624 -0.863 9.518 -1.246 306 HA HIS 624 HA HIS 624 -2.952 7.721 -2.188 307 HB2 HIS 624 2HB HIS 624 -0.996 9.310 -3.876 308 HB3 HIS 624 1HB HIS 624 -2.046 8.040 -4.501 309 HD1 HIS 624 1HD HIS 624 -4.451 8.686 -5.046 310 HD2 HIS 624 2HD HIS 624 -2.417 11.681 -2.997 311 HE1 HIS 624 1HE HIS 624 -5.979 10.665 -5.051 312 HE2 HIS 624 2HE HIS 624 -4.730 12.488 -3.848 313 H ILE 625 H ILE 625 -2.445 5.718 -2.126 314 HA ILE 625 HA ILE 625 0.395 4.972 -1.756 315 HB ILE 625 HB ILE 625 -1.995 3.766 -0.331 316 HG12 ILE 625 1HG ILE 625 0.110 5.666 0.723 317 HG23 ILE 625 2HG ILE 625 -0.316 2.628 1.063 318 HD11 ILE 625 1HD ILE 625 -2.244 4.447 2.125 319 H ASN 626 H ASN 626 0.947 2.895 -2.542 320 HA ASN 626 HA ASN 626 -1.055 1.323 -3.857 321 HB2 ASN 626 2HB ASN 626 -0.043 2.954 -5.564 322 HB3 ASN 626 1HB ASN 626 1.506 2.151 -5.264 323 HD21 ASN 626 2HD ASN 626 0.529 0.511 -8.180 324 H VAL 627 H VAL 627 -0.162 -0.867 -4.135 325 HA VAL 627 HA VAL 627 1.341 -1.452 -1.779 326 HB VAL 627 HB VAL 627 0.322 -3.338 -3.908 327 HG13 VAL 627 1HG VAL 627 2.174 -4.344 -2.635 328 HG21 VAL 627 2HG VAL 627 -0.763 -2.558 -1.215 329 H CYS 628 H CYS 628 2.011 -1.786 -5.087 330 HA CYS 628 HA CYS 628 4.830 -1.590 -4.510 331 HB2 CYS 628 2HB CYS 628 5.406 -3.503 -6.024 332 HB3 CYS 628 1HB CYS 628 4.571 -3.996 -4.560 333 H GLY 629 H GLY 629 5.986 -0.606 -6.104 334 HA2 GLY 629 2HA GLY 629 6.308 0.252 -8.279 335 HA3 GLY 629 1HA GLY 629 4.590 0.017 -8.593 336 HA PRO 630 HA PRO 630 4.960 4.369 -7.333 337 HB2 PRO 630 2HB PRO 630 4.105 5.427 -9.732 338 HB3 PRO 630 1HB PRO 630 5.786 5.199 -9.279 339 HG2 PRO 630 2HG PRO 630 4.353 3.829 -11.344 340 HG3 PRO 630 1HG PRO 630 6.020 3.563 -10.822 341 HD2 PRO 630 2HD PRO 630 3.571 2.044 -10.124 342 HD3 PRO 630 1HD PRO 630 5.266 1.520 -10.143 343 H VAL 631 H VAL 631 3.342 5.984 -7.192 344 HA VAL 631 HA VAL 631 0.601 4.934 -7.381 345 HB VAL 631 HB VAL 631 -0.051 6.757 -5.826 346 HG13 VAL 631 1HG VAL 631 1.068 5.917 -3.831 347 HG21 VAL 631 2HG VAL 631 2.907 7.354 -5.642 348 H SER 632 H SER 632 -0.855 5.966 -8.576 349 HA SER 632 HA SER 632 0.258 8.098 -10.219 350 HB2 SER 632 2HB SER 632 -2.354 6.605 -10.488 351 HB3 SER 632 1HB SER 632 -1.726 7.785 -11.646 352 HG SER 632 HG SER 632 -1.216 5.220 -11.580 353 H VAL 633 H VAL 633 -0.117 10.141 -9.944 354 HA VAL 633 HA VAL 633 -2.508 11.204 -8.702 355 HB VAL 633 HB VAL 633 0.198 12.053 -7.648 356 HG13 VAL 633 1HG VAL 633 -1.041 13.043 -5.792 357 HG21 VAL 633 2HG VAL 633 -1.596 10.071 -6.254 358 H GLY 634 H GLY 634 -2.551 13.543 -9.227 359 HA2 GLY 634 2HA GLY 634 -1.157 14.118 -11.664 360 HA3 GLY 634 1HA GLY 634 -2.274 15.185 -10.823 361 H ALA 635 H ALA 635 -0.859 15.081 -8.324 362 HA ALA 635 HA ALA 635 1.199 17.053 -8.958 363 HB1 ALA 635 1HB ALA 635 1.003 17.722 -6.631 364 HB2 ALA 635 2HB ALA 635 -0.075 16.363 -6.321 365 HB3 ALA 635 3HB ALA 635 -0.582 17.662 -7.405 366 H CYS 636 H CYS 636 1.466 13.889 -8.820 367 HA CYS 636 HA CYS 636 3.956 13.999 -7.274 368 HB2 CYS 636 2HB CYS 636 2.043 11.643 -7.227 369 HB3 CYS 636 1HB CYS 636 3.551 11.795 -6.356 370 HA PRO 637 HA PRO 637 5.616 12.256 -11.001 371 HB2 PRO 637 2HB PRO 637 7.993 11.373 -10.086 372 HB3 PRO 637 1HB PRO 637 7.635 13.102 -10.200 373 HG2 PRO 637 2HG PRO 637 7.502 11.301 -7.809 374 HG3 PRO 637 1HG PRO 637 8.221 12.917 -7.943 375 HD2 PRO 637 2HD PRO 637 5.769 12.499 -6.894 376 HD3 PRO 637 1HD PRO 637 6.181 13.973 -7.790 377 HA PRO 638 HA PRO 638 4.760 7.845 -10.942 378 HB2 PRO 638 2HB PRO 638 6.082 7.035 -13.146 379 HB3 PRO 638 1HB PRO 638 4.642 8.055 -13.250 380 HG2 PRO 638 2HG PRO 638 7.527 8.845 -13.371 381 HG3 PRO 638 1HG PRO 638 6.201 9.337 -14.439 382 HD2 PRO 638 2HD PRO 638 7.082 10.912 -12.425 383 HD3 PRO 638 1HD PRO 638 5.373 10.866 -12.901 384 H ASP 639 H ASP 639 7.279 8.923 -9.627 385 HA ASP 639 HA ASP 639 8.785 6.381 -9.462 386 HB2 ASP 639 2HB ASP 639 9.719 9.194 -8.876 387 HB3 ASP 639 1HB ASP 639 10.658 7.742 -8.544 388 H SER 640 H SER 640 6.587 8.333 -8.009 389 HA SER 640 HA SER 640 7.496 7.957 -5.297 390 HB2 SER 640 2HB SER 640 6.503 10.101 -6.067 391 HB3 SER 640 1HB SER 640 5.001 9.251 -6.419 392 HG SER 640 HG SER 640 5.721 10.346 -4.218 393 H GLY 641 H GLY 641 6.861 6.192 -4.179 394 HA2 GLY 641 2HA GLY 641 4.639 4.682 -5.288 395 HA3 GLY 641 1HA GLY 641 5.842 4.008 -4.208 396 H ALA 642 H ALA 642 5.429 6.749 -2.808 397 HA ALA 642 HA ALA 642 2.711 6.584 -1.782 398 HB1 ALA 642 1HB ALA 642 3.496 6.805 0.551 399 HB2 ALA 642 2HB ALA 642 5.162 6.630 0.001 400 HB3 ALA 642 3HB ALA 642 4.031 5.287 -0.168 401 H CYS 643 H CYS 643 1.896 8.613 -1.839 402 HA CYS 643 HA CYS 643 3.700 10.882 -1.461 403 HB2 CYS 643 2HB CYS 643 3.704 10.398 -3.887 404 HB3 CYS 643 1HB CYS 643 1.964 10.585 -3.909 405 H GLN 644 H GLN 644 2.783 12.598 -0.540 406 HA GLN 644 HA GLN 644 -0.122 12.504 -0.111 407 HB2 GLN 644 2HB GLN 644 0.253 13.684 2.007 408 HB3 GLN 644 1HB GLN 644 1.011 12.095 2.007 409 HG2 GLN 644 2HG GLN 644 3.179 13.216 1.542 410 HG3 GLN 644 1HG GLN 644 2.327 14.752 1.593 411 HE21 GLN 644 2HE GLN 644 3.872 13.792 4.883 412 H VAL 645 H VAL 645 -1.231 14.295 -0.417 413 HA VAL 645 HA VAL 645 0.229 16.694 -1.287 414 HB VAL 645 HB VAL 645 -2.568 15.835 -2.110 415 HG13 VAL 645 1HG VAL 645 -2.277 18.239 -2.139 416 HG21 VAL 645 2HG VAL 645 -0.013 15.676 -3.722 417 H SER 646 H SER 646 -0.005 18.284 0.147 418 HA SER 646 HA SER 646 -1.880 18.134 2.310 419 HB2 SER 646 2HB SER 646 0.243 19.358 2.616 420 HB3 SER 646 1HB SER 646 -0.225 20.495 1.345 421 HG SER 646 HG SER 646 -0.573 21.156 3.624 422 H ARG 647 H ARG 647 -3.750 19.109 2.521 423 HA ARG 647 HA ARG 647 -4.977 19.828 0.013 424 HB2 ARG 647 2HB ARG 647 -6.219 19.587 2.749 425 HB3 ARG 647 1HB ARG 647 -7.079 19.707 1.216 426 HG2 ARG 647 2HG ARG 647 -6.030 17.589 0.493 427 HG3 ARG 647 1HG ARG 647 -5.277 17.459 2.080 428 HD2 ARG 647 2HD ARG 647 -7.242 16.098 2.027 429 HD3 ARG 647 1HD ARG 647 -7.520 17.470 3.099 430 HE ARG 647 HE ARG 647 -8.420 18.215 0.608 431 HH12 ARG 647 1HH ARG 647 -10.856 15.632 2.559 432 HH21 ARG 647 2HH ARG 647 -11.664 16.916 0.742 433 H SER 648 H SER 648 -4.113 21.295 3.059 434 HA SER 648 HA SER 648 -5.245 23.792 2.298 435 HB2 SER 648 2HB SER 648 -4.115 24.515 4.473 436 HB3 SER 648 1HB SER 648 -5.420 23.333 4.589 437 HG SER 648 HG SER 648 -4.081 22.078 5.471 438 H ASP 649 H ASP 649 -1.976 22.379 2.372 439 HA ASP 649 HA ASP 649 -0.809 24.991 1.649 440 HB2 ASP 649 2HB ASP 649 0.596 22.323 1.925 441 HB3 ASP 649 1HB ASP 649 1.364 23.883 1.733 442 H ARG 650 H ARG 650 -2.106 22.338 0.087 443 HA ARG 650 HA ARG 650 -2.067 21.419 -1.977 444 HB2 ARG 650 2HB ARG 650 -1.318 24.231 -2.785 445 HB3 ARG 650 1HB ARG 650 -1.834 22.974 -3.895 446 HG2 ARG 650 2HG ARG 650 -3.458 24.260 -1.718 447 HG3 ARG 650 1HG ARG 650 -3.686 24.422 -3.460 448 HD2 ARG 650 2HD ARG 650 -4.126 21.960 -1.761 449 HD3 ARG 650 1HD ARG 650 -5.333 22.907 -2.619 450 HE ARG 650 HE ARG 650 -3.536 21.978 -4.523 451 HH12 ARG 650 1HH ARG 650 -6.160 19.199 -3.171 452 HH21 ARG 650 2HH ARG 650 -4.960 18.831 -5.161 453 H LYS 651 H LYS 651 0.454 21.421 -0.491 454 HA LYS 651 HA LYS 651 2.395 21.170 -2.677 455 HB2 LYS 651 2HB LYS 651 2.767 21.071 0.310 456 HB3 LYS 651 1HB LYS 651 4.047 20.787 -0.854 457 HG2 LYS 651 2HG LYS 651 3.829 23.025 -1.683 458 HG3 LYS 651 1HG LYS 651 2.457 23.288 -0.603 459 HD2 LYS 651 2HD LYS 651 3.910 22.957 1.337 460 HD3 LYS 651 1HD LYS 651 5.272 22.618 0.269 461 HE2 LYS 651 2HE LYS 651 5.144 24.882 -0.616 462 HE3 LYS 651 1HE LYS 651 3.769 25.225 0.435 463 HZ1 LYS 651 3HZ LYS 651 5.850 26.061 1.361 464 HZ2 LYS 651 1HZ LYS 651 6.502 24.514 1.355 465 HZ3 LYS 651 2HZ LYS 651 5.198 24.874 2.352 466 H SER 652 H SER 652 3.675 19.298 -2.727 467 HA SER 652 HA SER 652 2.381 16.962 -1.568 468 HB2 SER 652 2HB SER 652 2.823 15.721 -3.729 469 HB3 SER 652 1HB SER 652 1.601 16.985 -3.830 470 HG SER 652 HG SER 652 3.261 16.829 -5.528 471 H TRP 653 H TRP 653 3.679 15.319 -0.961 472 HA TRP 653 HA TRP 653 6.597 15.677 -1.231 473 HB2 TRP 653 2HB TRP 653 5.129 14.944 1.311 474 HB3 TRP 653 1HB TRP 653 6.865 14.919 1.098 475 HD1 TRP 653 HD TRP 653 8.129 17.246 1.259 476 HE1 TRP 653 1HE TRP 653 7.429 19.521 2.177 477 HE3 TRP 653 3HE TRP 653 3.119 16.475 1.400 478 HZ2 TRP 653 2HZ TRP 653 4.991 20.847 2.861 479 HZ3 TRP 653 3HZ TRP 653 1.667 18.222 2.174 480 HH2 TRP 653 HH TRP 653 2.569 20.415 2.909 481 H ASN 654 H ASN 654 7.675 13.747 -1.382 482 HA ASN 654 HA ASN 654 5.998 11.411 -1.727 483 HB2 ASN 654 2HB ASN 654 8.985 11.774 -2.096 484 HB3 ASN 654 1HB ASN 654 8.136 10.254 -2.328 485 HD21 ASN 654 2HD ASN 654 8.661 12.069 -5.529 486 H LEU 655 H LEU 655 5.913 9.786 -0.298 487 HA LEU 655 HA LEU 655 7.538 10.228 2.084 488 HB2 LEU 655 2HB LEU 655 5.168 8.383 1.935 489 HB3 LEU 655 1HB LEU 655 6.046 8.942 3.341 490 HG LEU 655 HG LEU 655 5.117 11.282 2.721 491 HD13 LEU 655 1HD LEU 655 3.258 9.535 1.244 492 HD21 LEU 655 2HD LEU 655 3.332 9.106 3.724 493 H GLY 656 H GLY 656 7.651 8.720 -0.654 494 HA2 GLY 656 2HA GLY 656 9.792 7.225 -0.044 495 HA3 GLY 656 1HA GLY 656 8.435 6.136 0.170 496 H ARG 657 H ARG 657 10.721 6.737 -1.825 497 HA ARG 657 HA ARG 657 9.380 6.905 -4.304 498 HB2 ARG 657 2HB ARG 657 11.624 7.670 -4.229 499 HB3 ARG 657 1HB ARG 657 12.187 6.210 -3.447 500 HG2 ARG 657 2HG ARG 657 12.023 4.974 -5.414 501 HG3 ARG 657 1HG ARG 657 11.138 6.252 -6.261 502 HD2 ARG 657 2HD ARG 657 13.545 6.106 -6.914 503 HD3 ARG 657 1HD ARG 657 13.062 7.655 -6.238 504 HE ARG 657 HE ARG 657 14.103 6.979 -4.151 505 HH12 ARG 657 1HH ARG 657 16.693 4.920 -6.499 506 HH21 ARG 657 2HH ARG 657 17.392 5.757 -4.352 507 H SER 658 H SER 658 9.001 5.151 -5.735 508 HA SER 658 HA SER 658 7.684 3.035 -4.756 509 HB2 SER 658 2HB SER 658 9.137 3.326 -7.311 510 HB3 SER 658 1HB SER 658 7.880 2.095 -7.026 511 HG SER 658 HG SER 658 6.445 3.696 -6.733 512 H ASN 659 H ASN 659 8.063 1.230 -3.824 513 HA ASN 659 HA ASN 659 10.512 -0.258 -4.157 514 HB2 ASN 659 2HB ASN 659 10.598 1.069 -2.082 515 HB3 ASN 659 1HB ASN 659 8.985 0.511 -1.680 516 HD21 ASN 659 2HD ASN 659 10.539 -1.731 0.335 517 H ALA 660 H ALA 660 9.955 -2.546 -3.513 518 HA ALA 660 HA ALA 660 7.073 -3.053 -3.698 519 HB1 ALA 660 1HB ALA 660 9.243 -4.651 -5.049 520 HB2 ALA 660 2HB ALA 660 8.150 -3.524 -5.854 521 HB3 ALA 660 3HB ALA 660 7.522 -4.994 -5.101 522 H LYS 661 H LYS 661 9.674 -3.247 -1.689 523 HA LYS 661 HA LYS 661 9.507 -5.896 -0.841 524 HB2 LYS 661 2HB LYS 661 10.638 -3.464 0.471 525 HB3 LYS 661 1HB LYS 661 10.663 -5.050 1.218 526 HG2 LYS 661 2HG LYS 661 11.906 -5.908 -0.711 527 HG3 LYS 661 1HG LYS 661 11.950 -4.266 -1.376 528 HD2 LYS 661 2HD LYS 661 13.131 -3.473 0.451 529 HD3 LYS 661 1HD LYS 661 12.955 -4.985 1.355 530 HE2 LYS 661 2HE LYS 661 14.277 -6.114 -0.458 531 HE3 LYS 661 1HE LYS 661 14.556 -4.523 -1.166 532 HZ1 LYS 661 3HZ LYS 661 16.396 -5.272 0.243 533 HZ2 LYS 661 1HZ LYS 661 15.324 -5.335 1.559 534 HZ3 LYS 661 2HZ LYS 661 15.686 -3.845 0.809 535 H LEU 662 H LEU 662 8.076 -6.869 0.137 536 HA LEU 662 HA LEU 662 6.217 -5.527 1.950 537 HB2 LEU 662 2HB LEU 662 6.311 -8.274 0.717 538 HB3 LEU 662 1HB LEU 662 5.116 -7.804 1.920 539 HG LEU 662 HG LEU 662 5.433 -6.615 -0.836 540 HD13 LEU 662 1HD LEU 662 3.319 -7.827 -1.262 541 HD21 LEU 662 2HD LEU 662 3.286 -5.564 -0.376 542 H SER 663 H SER 663 6.515 -5.811 4.117 543 HA SER 663 HA SER 663 8.469 -7.826 4.903 544 HB2 SER 663 2HB SER 663 7.683 -5.253 6.281 545 HB3 SER 663 1HB SER 663 8.901 -6.407 6.839 546 HG SER 663 HG SER 663 9.197 -5.555 4.250 547 H TYR 664 H TYR 664 7.720 -9.420 6.101 548 HA TYR 664 HA TYR 664 4.988 -9.159 7.075 549 HB2 TYR 664 2HB TYR 664 5.389 -10.870 5.365 550 HB3 TYR 664 1HB TYR 664 6.605 -11.615 6.392 551 HD1 TYR 664 2HD TYR 664 3.030 -10.488 6.715 552 HD2 TYR 664 1HD TYR 664 5.913 -13.535 7.434 553 HE1 TYR 664 2HE TYR 664 1.321 -11.788 7.555 554 HE2 TYR 664 1HE TYR 664 4.191 -14.964 8.346 555 HH TYR 664 HH TYR 664 1.965 -14.680 9.376 556 H TYR 665 H TYR 665 4.725 -9.014 9.137 557 HA TYR 665 HA TYR 665 6.912 -9.469 10.987 558 HB2 TYR 665 2HB TYR 665 5.260 -7.455 10.865 559 HB3 TYR 665 1HB TYR 665 4.064 -8.558 11.513 560 HD1 TYR 665 1HD TYR 665 7.603 -7.668 12.326 561 HD2 TYR 665 2HD TYR 665 3.627 -8.157 13.732 562 HE1 TYR 665 1HE TYR 665 8.321 -6.986 14.570 563 HE2 TYR 665 2HE TYR 665 4.335 -7.483 15.989 564 HH TYR 665 HH TYR 665 6.389 -7.427 17.303 565 H ASP 666 H ASP 666 4.924 -10.334 13.169 566 HA ASP 666 HA ASP 666 5.049 -13.111 12.766 567 HB2 ASP 666 2HB ASP 666 3.536 -13.382 14.687 568 HB3 ASP 666 1HB ASP 666 4.730 -12.144 15.032 569 H GLY 667 H GLY 667 2.541 -10.862 12.056 570 HA2 GLY 667 2HA GLY 667 1.584 -12.573 9.987 571 HA3 GLY 667 1HA GLY 667 0.403 -12.429 11.250 572 H MET 668 H MET 668 1.603 -9.563 11.617 573 HA MET 668 HA MET 668 -0.200 -8.312 9.802 574 HB2 MET 668 2HB MET 668 1.945 -7.057 11.527 575 HB3 MET 668 1HB MET 668 0.698 -6.178 10.662 576 HG2 MET 668 2HG MET 668 -0.989 -7.356 12.068 577 HG3 MET 668 1HG MET 668 0.341 -8.043 12.999 578 HE1 MET 668 3HE MET 668 1.991 -4.697 14.424 579 HE2 MET 668 1HE MET 668 2.372 -5.417 12.861 580 HE3 MET 668 2HE MET 668 2.181 -6.444 14.278 581 H ILE 669 H ILE 669 0.227 -7.951 7.795 582 HA ILE 669 HA ILE 669 2.925 -8.087 6.791 583 HB ILE 669 HB ILE 669 0.291 -7.515 5.454 584 HG12 ILE 669 1HG ILE 669 2.046 -9.782 5.160 585 HG23 ILE 669 2HG ILE 669 1.516 -7.864 3.300 586 HD11 ILE 669 1HD ILE 669 0.531 -9.705 3.387 587 H GLN 670 H GLN 670 4.144 -6.405 6.397 588 HA GLN 670 HA GLN 670 2.931 -3.768 6.686 589 HB2 GLN 670 2HB GLN 670 5.609 -4.638 7.771 590 HB3 GLN 670 1HB GLN 670 4.919 -3.020 7.883 591 HG2 GLN 670 2HG GLN 670 3.039 -3.915 9.171 592 HG3 GLN 670 1HG GLN 670 3.766 -5.515 9.092 593 HE21 GLN 670 2HE GLN 670 5.002 -2.706 11.722 594 H LEU 671 H LEU 671 3.164 -2.636 5.032 595 HA LEU 671 HA LEU 671 5.226 -3.206 2.989 596 HB2 LEU 671 2HB LEU 671 2.917 -3.032 2.162 597 HB3 LEU 671 1HB LEU 671 2.756 -1.455 2.903 598 HG LEU 671 HG LEU 671 4.436 -0.580 1.281 599 HD13 LEU 671 1HD LEU 671 4.136 -3.274 -0.015 600 HD21 LEU 671 2HD LEU 671 2.943 -0.618 -0.644 601 H THR 672 H THR 672 6.912 -1.835 2.793 602 HA THR 672 HA THR 672 6.742 0.599 4.415 603 HB THR 672 HB THR 672 9.162 -1.205 4.178 604 HG1 THR 672 1HG THR 672 7.022 -1.518 5.572 605 HG21 THR 672 2HG THR 672 8.633 1.224 5.917 606 H TYR 673 H TYR 673 6.933 2.304 3.225 607 HA TYR 673 HA TYR 673 8.737 2.248 0.927 608 HB2 TYR 673 2HB TYR 673 6.409 4.066 1.523 609 HB3 TYR 673 1HB TYR 673 7.617 4.427 0.303 610 HD1 TYR 673 1HD TYR 673 8.087 2.081 -1.091 611 HD2 TYR 673 2HD TYR 673 4.430 3.419 0.550 612 HE1 TYR 673 1HE TYR 673 6.865 0.815 -2.811 613 HE2 TYR 673 2HE TYR 673 3.197 2.170 -1.154 614 HH TYR 673 HH TYR 673 4.476 -0.233 -3.032 615 H ARG 674 H ARG 674 10.510 3.357 0.974 616 HA ARG 674 HA ARG 674 10.799 5.507 2.895 617 HB2 ARG 674 2HB ARG 674 12.813 3.330 2.307 618 HB3 ARG 674 1HB ARG 674 13.218 4.835 3.116 619 HG2 ARG 674 2HG ARG 674 11.563 4.266 4.876 620 HG3 ARG 674 1HG ARG 674 11.351 2.697 4.097 621 HD2 ARG 674 2HD ARG 674 12.950 2.620 5.978 622 HD3 ARG 674 1HD ARG 674 13.684 2.171 4.440 623 HE ARG 674 HE ARG 674 14.711 4.320 4.337 624 HH12 ARG 674 1HH ARG 674 14.380 4.651 8.342 625 HH21 ARG 674 2HH ARG 674 15.966 5.884 7.188 626 H ASP 675 H ASP 675 13.142 6.557 2.229 627 HA ASP 675 HA ASP 675 14.311 7.785 0.735 628 HB2 ASP 675 2HB ASP 675 14.094 5.715 -0.869 629 HB3 ASP 675 1HB ASP 675 12.705 6.543 -1.515 630 H GLY 676 H GLY 676 11.587 8.219 1.862 631 HA2 GLY 676 2HA GLY 676 10.159 9.972 0.173 632 HA3 GLY 676 1HA GLY 676 10.010 9.826 1.921 633 H THR 677 H THR 677 9.685 12.248 1.047 634 HA THR 677 HA THR 677 12.031 13.791 0.757 635 HB THR 677 HB THR 677 9.286 14.705 1.673 636 HG1 THR 677 1HG THR 677 10.330 14.125 -0.895 637 HG21 THR 677 2HG THR 677 11.028 16.420 1.814 638 HA PRO 678 HA PRO 678 12.901 13.654 5.224 639 HB2 PRO 678 2HB PRO 678 15.143 15.413 4.660 640 HB3 PRO 678 1HB PRO 678 15.170 13.728 5.183 641 HG2 PRO 678 2HG PRO 678 15.967 14.514 2.708 642 HG3 PRO 678 1HG PRO 678 15.260 12.926 3.037 643 HD2 PRO 678 2HD PRO 678 13.985 15.358 1.854 644 HD3 PRO 678 1HD PRO 678 13.812 13.640 1.414 645 H TYR 679 H TYR 679 12.787 14.969 6.952 646 HA TYR 679 HA TYR 679 12.517 17.735 6.391 647 HB2 TYR 679 2HB TYR 679 10.632 17.891 8.142 648 HB3 TYR 679 1HB TYR 679 10.286 17.428 6.496 649 HD1 TYR 679 2HD TYR 679 10.678 16.082 9.969 650 HD2 TYR 679 1HD TYR 679 9.352 15.511 6.035 651 HE1 TYR 679 2HE TYR 679 9.353 14.150 10.727 652 HE2 TYR 679 1HE TYR 679 7.980 13.568 6.751 653 HH TYR 679 HH TYR 679 7.353 12.905 9.961 654 H ASN 680 H ASN 680 11.948 18.793 8.800 655 HA ASN 680 HA ASN 680 14.480 19.213 9.742 656 HB2 ASN 680 2HB ASN 680 11.885 19.865 11.120 657 HB3 ASN 680 1HB ASN 680 13.457 20.429 11.668 658 HD21 ASN 680 2HD ASN 680 11.588 22.158 8.525 659 H ASN 681 H ASN 681 15.488 17.432 10.165 660 HA ASN 681 HA ASN 681 15.351 16.528 12.930 661 HB2 ASN 681 2HB ASN 681 15.741 14.740 10.492 662 HB3 ASN 681 1HB ASN 681 16.179 14.267 12.115 663 HD21 ASN 681 2HD ASN 681 13.142 12.636 12.186 664 H GLU 682 H GLU 682 17.520 15.939 13.627 665 HA GLU 682 HA GLU 682 19.439 17.722 12.658 666 HB2 GLU 682 2HB GLU 682 19.773 15.299 14.408 667 HB3 GLU 682 1HB GLU 682 21.072 16.420 14.041 668 HG2 GLU 682 2HG GLU 682 19.760 18.238 15.060 669 HG3 GLU 682 1HG GLU 682 18.503 17.073 15.469 670 H LYS 683 H LYS 683 18.998 14.309 11.936 671 HA LYS 683 HA LYS 683 21.275 14.358 10.089 672 HB2 LYS 683 2HB LYS 683 19.409 12.146 10.897 673 HB3 LYS 683 1HB LYS 683 20.838 11.946 9.884 674 HG2 LYS 683 2HG LYS 683 22.247 12.662 11.757 675 HG3 LYS 683 1HG LYS 683 20.807 12.848 12.756 676 HD2 LYS 683 2HD LYS 683 20.310 10.457 12.424 677 HD3 LYS 683 1HD LYS 683 21.810 10.297 11.509 678 HE2 LYS 683 2HE LYS 683 23.073 11.033 13.478 679 HE3 LYS 683 1HE LYS 683 21.558 11.179 14.364 680 HZ1 LYS 683 3HZ LYS 683 22.695 8.645 13.282 681 HZ2 LYS 683 1HZ LYS 683 21.198 8.795 14.039 682 HZ3 LYS 683 2HZ LYS 683 22.596 9.094 14.896 683 H ARG 684 H ARG 684 18.225 15.325 9.968 684 HA ARG 684 HA ARG 684 16.481 15.431 8.568 685 HB2 ARG 684 2HB ARG 684 18.602 15.309 6.407 686 HB3 ARG 684 1HB ARG 684 16.925 15.748 6.137 687 HG2 ARG 684 2HG ARG 684 18.065 17.792 6.216 688 HG3 ARG 684 1HG ARG 684 17.308 17.571 7.808 689 HD2 ARG 684 2HD ARG 684 19.657 18.419 7.948 690 HD3 ARG 684 1HD ARG 684 19.410 16.877 8.775 691 HE ARG 684 HE ARG 684 20.195 16.433 6.118 692 HH12 ARG 684 1HH ARG 684 23.174 16.956 8.792 693 HH21 ARG 684 2HH ARG 684 23.573 15.836 6.779 694 H THR 685 H THR 685 15.405 13.761 8.992 695 HA THR 685 HA THR 685 16.031 11.187 7.847 696 HB THR 685 HB THR 685 13.843 12.078 9.722 697 HG1 THR 685 1HG THR 685 15.241 10.497 11.028 698 HG21 THR 685 2HG THR 685 14.543 9.267 8.817 699 HA PRO 686 HA PRO 686 13.200 11.864 4.380 700 HB2 PRO 686 2HB PRO 686 13.713 8.981 3.946 701 HB3 PRO 686 1HB PRO 686 13.965 10.348 2.852 702 HG2 PRO 686 2HG PRO 686 16.030 9.044 3.983 703 HG3 PRO 686 1HG PRO 686 16.078 10.786 3.662 704 HD2 PRO 686 2HD PRO 686 15.589 9.343 6.236 705 HD3 PRO 686 1HD PRO 686 16.524 10.824 5.918 706 H ARG 687 H ARG 687 11.059 11.644 4.581 707 HA ARG 687 HA ARG 687 10.036 10.175 6.780 708 HB2 ARG 687 2HB ARG 687 7.921 11.068 6.234 709 HB3 ARG 687 1HB ARG 687 9.111 12.304 5.853 710 HG2 ARG 687 2HG ARG 687 8.952 11.563 3.457 711 HG3 ARG 687 1HG ARG 687 7.591 10.557 3.986 712 HD2 ARG 687 2HD ARG 687 6.686 12.593 3.127 713 HD3 ARG 687 1HD ARG 687 6.500 12.617 4.883 714 HE ARG 687 HE ARG 687 8.889 13.807 3.859 715 HH12 ARG 687 1HH ARG 687 5.840 16.130 5.205 716 HH21 ARG 687 2HH ARG 687 7.831 17.134 4.460 717 H ALA 688 H ALA 688 8.456 8.490 6.669 718 HA ALA 688 HA ALA 688 8.761 6.785 4.308 719 HB1 ALA 688 1HB ALA 688 10.396 6.083 5.981 720 HB2 ALA 688 2HB ALA 688 9.157 4.853 5.740 721 HB3 ALA 688 3HB ALA 688 9.108 5.887 7.170 722 H THR 689 H THR 689 7.178 5.126 4.175 723 HA THR 689 HA THR 689 4.690 5.623 5.685 724 HB THR 689 HB THR 689 4.993 4.915 2.756 725 HG1 THR 689 1HG THR 689 5.148 7.134 3.886 726 HG21 THR 689 2HG THR 689 3.034 3.806 3.741 727 H LEU 690 H LEU 690 3.912 3.797 6.705 728 HA LEU 690 HA LEU 690 4.697 1.315 5.532 729 HB2 LEU 690 2HB LEU 690 6.156 1.679 7.422 730 HB3 LEU 690 1HB LEU 690 4.791 2.022 8.461 731 HG LEU 690 HG LEU 690 5.028 -0.622 7.124 732 HD13 LEU 690 1HD LEU 690 7.158 -0.221 8.302 733 HD21 LEU 690 2HD LEU 690 2.967 -0.045 8.269 734 H ILE 691 H ILE 691 3.076 0.141 5.076 735 HA ILE 691 HA ILE 691 0.413 0.756 6.143 736 HB ILE 691 HB ILE 691 1.195 -1.197 3.952 737 HG12 ILE 691 1HG ILE 691 0.124 0.224 2.375 738 HG23 ILE 691 2HG ILE 691 -0.778 -1.909 5.060 739 HD11 ILE 691 1HD ILE 691 2.223 1.826 3.784 740 H THR 692 H THR 692 -0.503 -0.576 7.619 741 HA THR 692 HA THR 692 0.799 -3.135 8.143 742 HB THR 692 HB THR 692 -1.084 -1.511 9.893 743 HG1 THR 692 1HG THR 692 1.479 -1.243 9.260 744 HG21 THR 692 2HG THR 692 0.750 -3.845 10.519 745 H PHE 693 H PHE 693 -0.328 -4.759 7.142 746 HA PHE 693 HA PHE 693 -3.121 -4.351 6.427 747 HB2 PHE 693 2HB PHE 693 -1.326 -6.726 5.833 748 HB3 PHE 693 1HB PHE 693 -2.932 -6.484 5.200 749 HD1 PHE 693 1HD PHE 693 0.539 -5.325 5.031 750 HD2 PHE 693 2HD PHE 693 -3.331 -5.048 3.293 751 HE1 PHE 693 1HE PHE 693 1.482 -4.085 3.087 752 HE2 PHE 693 2HE PHE 693 -2.372 -3.827 1.367 753 HZ PHE 693 HZ PHE 693 0.015 -3.365 1.271 754 H LEU 694 H LEU 694 -4.580 -4.832 7.820 755 HA LEU 694 HA LEU 694 -4.216 -7.114 9.626 756 HB2 LEU 694 2HB LEU 694 -6.237 -4.847 9.759 757 HB3 LEU 694 1HB LEU 694 -6.222 -6.218 10.839 758 HG LEU 694 HG LEU 694 -3.945 -5.418 11.632 759 HD13 LEU 694 1HD LEU 694 -3.372 -3.977 9.763 760 HD21 LEU 694 2HD LEU 694 -6.280 -3.579 12.046 761 H CYS 695 H CYS 695 -6.133 -8.534 9.808 762 HA CYS 695 HA CYS 695 -7.257 -8.654 7.138 763 HB2 CYS 695 2HB CYS 695 -5.829 -10.543 7.689 764 HB3 CYS 695 1HB CYS 695 -6.844 -10.932 9.062 765 H ASP 696 H ASP 696 -9.060 -7.702 7.162 766 HA ASP 696 HA ASP 696 -11.125 -8.371 9.125 767 HB2 ASP 696 2HB ASP 696 -10.838 -6.003 8.291 768 HB3 ASP 696 1HB ASP 696 -11.239 -6.561 6.672 769 H ARG 697 H ARG 697 -12.569 -10.010 8.618 770 HA ARG 697 HA ARG 697 -11.817 -11.500 6.282 771 HB2 ARG 697 2HB ARG 697 -13.647 -12.278 8.535 772 HB3 ARG 697 1HB ARG 697 -13.465 -13.269 7.102 773 HG2 ARG 697 2HG ARG 697 -12.050 -14.141 8.832 774 HG3 ARG 697 1HG ARG 697 -11.028 -13.431 7.590 775 HD2 ARG 697 2HD ARG 697 -10.815 -11.402 8.985 776 HD3 ARG 697 1HD ARG 697 -11.782 -12.189 10.230 777 HE ARG 697 HE ARG 697 -9.453 -13.666 9.413 778 HH12 ARG 697 1HH ARG 697 -9.501 -11.401 12.789 779 HH21 ARG 697 2HH ARG 697 -7.741 -12.978 12.415 780 H ASP 698 H ASP 698 -13.899 -9.093 6.392 781 HA ASP 698 HA ASP 698 -15.910 -10.254 4.661 782 HB2 ASP 698 2HB ASP 698 -16.483 -8.336 6.128 783 HB3 ASP 698 1HB ASP 698 -15.283 -7.351 5.299 784 H ALA 699 H ALA 699 -15.540 -10.649 2.601 785 HA ALA 699 HA ALA 699 -13.088 -10.392 1.381 786 HB1 ALA 699 1HB ALA 699 -14.849 -11.932 0.628 787 HB2 ALA 699 2HB ALA 699 -14.158 -11.001 -0.701 788 HB3 ALA 699 3HB ALA 699 -15.735 -10.561 -0.047 789 H GLY 700 H GLY 700 -11.997 -8.624 1.015 790 HA2 GLY 700 2HA GLY 700 -12.933 -6.693 -0.856 791 HA3 GLY 700 1HA GLY 700 -12.847 -6.052 0.782 792 H VAL 701 H VAL 701 -11.261 -5.309 -1.519 793 HA VAL 701 HA VAL 701 -8.680 -6.496 -1.286 794 HB VAL 701 HB VAL 701 -9.587 -5.355 -3.296 795 HG13 VAL 701 1HG VAL 701 -9.034 -2.828 -1.803 796 HG21 VAL 701 2HG VAL 701 -7.239 -5.902 -3.187 797 H GLY 702 H GLY 702 -10.297 -3.956 0.160 798 HA2 GLY 702 2HA GLY 702 -9.748 -3.292 2.416 799 HA3 GLY 702 1HA GLY 702 -8.066 -3.610 2.041 800 H PHE 703 H PHE 703 -9.453 -1.270 3.140 801 HA PHE 703 HA PHE 703 -8.516 0.684 1.180 802 HB2 PHE 703 2HB PHE 703 -10.962 0.836 1.645 803 HB3 PHE 703 1HB PHE 703 -10.599 1.054 3.354 804 HD1 PHE 703 2HD PHE 703 -10.037 2.523 0.018 805 HD2 PHE 703 1HD PHE 703 -10.212 3.216 4.209 806 HE1 PHE 703 2HE PHE 703 -9.827 4.937 -0.369 807 HE2 PHE 703 1HE PHE 703 -9.999 5.638 3.815 808 HZ PHE 703 HZ PHE 703 -9.795 6.480 1.456 809 HA PRO 704 HA PRO 704 -5.566 1.457 4.443 810 HB2 PRO 704 2HB PRO 704 -4.121 3.360 3.207 811 HB3 PRO 704 1HB PRO 704 -4.010 1.655 2.759 812 HG2 PRO 704 2HG PRO 704 -5.438 3.880 1.388 813 HG3 PRO 704 1HG PRO 704 -4.594 2.487 0.695 814 HD2 PRO 704 2HD PRO 704 -7.347 2.704 1.012 815 HD3 PRO 704 1HD PRO 704 -6.454 1.185 0.782 816 H GLU 705 H GLU 705 -5.574 2.739 6.115 817 HA GLU 705 HA GLU 705 -6.703 5.447 5.935 818 HB2 GLU 705 2HB GLU 705 -7.031 3.376 8.045 819 HB3 GLU 705 1HB GLU 705 -7.527 5.059 8.289 820 HG2 GLU 705 2HG GLU 705 -9.033 4.717 6.256 821 HG3 GLU 705 1HG GLU 705 -8.631 3.014 6.374 822 H TYR 706 H TYR 706 -5.832 6.945 7.487 823 HA TYR 706 HA TYR 706 -2.994 6.398 7.930 824 HB2 TYR 706 2HB TYR 706 -3.565 8.303 6.555 825 HB3 TYR 706 1HB TYR 706 -4.584 8.951 7.826 826 HD1 TYR 706 1HD TYR 706 -1.065 7.649 7.811 827 HD2 TYR 706 2HD TYR 706 -3.674 10.911 8.568 828 HE1 TYR 706 1HE TYR 706 0.831 8.976 8.603 829 HE2 TYR 706 2HE TYR 706 -1.781 12.257 9.364 830 HH TYR 706 HH TYR 706 0.455 12.032 10.202 831 H GLN 707 H GLN 707 -2.144 6.112 9.912 832 HA GLN 707 HA GLN 707 -3.551 7.340 12.140 833 HB2 GLN 707 2HB GLN 707 -2.639 5.551 13.641 834 HB3 GLN 707 1HB GLN 707 -3.863 4.904 12.517 835 HG2 GLN 707 2HG GLN 707 -1.854 4.028 11.254 836 HG3 GLN 707 1HG GLN 707 -0.899 4.653 12.613 837 HE21 GLN 707 2HE GLN 707 -1.145 1.451 13.976 838 H GLU 708 H GLU 708 -2.458 8.989 12.785 839 HA GLU 708 HA GLU 708 0.391 9.022 12.290 840 HB2 GLU 708 2HB GLU 708 -0.985 10.956 11.592 841 HB3 GLU 708 1HB GLU 708 -1.389 11.248 13.277 842 HG2 GLU 708 2HG GLU 708 0.953 11.671 13.777 843 HG3 GLU 708 1HG GLU 708 1.377 11.350 12.093 844 H GLU 709 H GLU 709 1.028 7.593 13.813 845 HA GLU 709 HA GLU 709 1.045 8.684 16.523 846 HB2 GLU 709 2HB GLU 709 0.717 5.794 15.735 847 HB3 GLU 709 1HB GLU 709 1.041 6.329 17.379 848 HG2 GLU 709 2HG GLU 709 -1.037 7.668 17.301 849 HG3 GLU 709 1HG GLU 709 -1.365 6.997 15.708 850 H ASP 710 H ASP 710 2.847 8.642 14.125 851 HA ASP 710 HA ASP 710 5.261 8.232 15.664 852 HB2 ASP 710 2HB ASP 710 4.955 6.156 14.243 853 HB3 ASP 710 1HB ASP 710 4.970 7.201 12.824 854 H ASN 711 H ASN 711 6.845 9.718 15.007 855 HA ASN 711 HA ASN 711 5.638 12.025 13.858 856 HB2 ASN 711 2HB ASN 711 7.134 12.260 15.775 857 HB3 ASN 711 1HB ASN 711 8.477 11.661 14.804 858 HD21 ASN 711 2HD ASN 711 9.097 14.718 13.241 859 H SER 712 H SER 712 7.798 9.588 12.608 860 HA SER 712 HA SER 712 7.959 11.214 10.192 861 HB2 SER 712 2HB SER 712 10.328 10.417 9.807 862 HB3 SER 712 1HB SER 712 10.102 11.567 11.114 863 HG SER 712 HG SER 712 9.812 9.251 12.262 864 H THR 713 H THR 713 7.365 8.114 11.427 865 HA THR 713 HA THR 713 7.337 7.081 8.705 866 HB THR 713 HB THR 713 7.227 5.574 11.341 867 HG1 THR 713 1HG THR 713 9.215 6.748 10.152 868 HG21 THR 713 2HG THR 713 7.647 3.586 9.941 869 H TYR 714 H TYR 714 5.443 7.564 7.868 870 HA TYR 714 HA TYR 714 3.038 7.964 9.329 871 HB2 TYR 714 2HB TYR 714 3.549 7.576 6.364 872 HB3 TYR 714 1HB TYR 714 2.005 8.052 7.042 873 HD1 TYR 714 1HD TYR 714 5.596 9.220 7.256 874 HD2 TYR 714 2HD TYR 714 1.502 10.313 6.816 875 HE1 TYR 714 1HE TYR 714 6.240 11.583 7.045 876 HE2 TYR 714 2HE TYR 714 2.155 12.668 6.609 877 HH TYR 714 HH TYR 714 4.066 14.112 7.261 878 H ASN 715 H ASN 715 1.726 6.399 10.103 879 HA ASN 715 HA ASN 715 2.150 3.651 9.152 880 HB2 ASN 715 2HB ASN 715 1.802 4.639 11.844 881 HB3 ASN 715 1HB ASN 715 0.295 4.195 11.250 882 HD21 ASN 715 2HD ASN 715 1.196 0.657 10.687 883 H PHE 716 H PHE 716 0.603 2.703 7.951 884 HA PHE 716 HA PHE 716 -2.029 3.952 7.944 885 HB2 PHE 716 2HB PHE 716 -0.448 2.731 5.739 886 HB3 PHE 716 1HB PHE 716 -2.181 2.909 5.559 887 HD1 PHE 716 2HD PHE 716 1.033 4.649 5.859 888 HD2 PHE 716 1HD PHE 716 -3.160 5.112 5.334 889 HE1 PHE 716 2HE PHE 716 1.375 6.995 5.184 890 HE2 PHE 716 1HE PHE 716 -2.820 7.451 4.652 891 HZ PHE 716 HZ PHE 716 -0.552 8.390 4.582 892 H ARG 717 H ARG 717 -3.789 2.818 8.075 893 HA ARG 717 HA ARG 717 -3.597 0.026 8.980 894 HB2 ARG 717 2HB ARG 717 -5.976 1.888 8.985 895 HB3 ARG 717 1HB ARG 717 -5.893 0.309 9.733 896 HG2 ARG 717 2HG ARG 717 -4.194 1.121 11.227 897 HG3 ARG 717 1HG ARG 717 -4.324 2.731 10.514 898 HD2 ARG 717 2HD ARG 717 -6.500 1.216 11.981 899 HD3 ARG 717 1HD ARG 717 -5.648 2.641 12.563 900 HE ARG 717 HE ARG 717 -7.226 2.854 10.101 901 HH12 ARG 717 1HH ARG 717 -8.122 4.840 13.527 902 HH21 ARG 717 2HH ARG 717 -9.337 5.301 11.571 903 H TRP 718 H TRP 718 -4.060 -1.414 7.572 904 HA TRP 718 HA TRP 718 -5.916 -0.775 5.364 905 HB2 TRP 718 2HB TRP 718 -3.477 -0.948 4.691 906 HB3 TRP 718 1HB TRP 718 -3.538 -2.638 5.156 907 HD1 TRP 718 HD TRP 718 -6.041 -3.721 3.736 908 HE1 TRP 718 1HE TRP 718 -6.248 -3.712 1.152 909 HE3 TRP 718 3HE TRP 718 -2.619 -0.054 2.615 910 HZ2 TRP 718 2HZ TRP 718 -5.128 -2.375 -1.012 911 HZ3 TRP 718 3HZ TRP 718 -2.258 0.509 0.265 912 HH2 TRP 718 HH TRP 718 -3.478 -0.624 -1.510 913 H TYR 719 H TYR 719 -7.674 -1.929 5.736 914 HA TYR 719 HA TYR 719 -7.419 -4.502 7.116 915 HB2 TYR 719 2HB TYR 719 -9.844 -2.761 6.621 916 HB3 TYR 719 1HB TYR 719 -9.870 -4.299 7.477 917 HD1 TYR 719 2HD TYR 719 -8.828 -4.507 9.653 918 HD2 TYR 719 1HD TYR 719 -9.002 -0.760 7.681 919 HE1 TYR 719 2HE TYR 719 -8.289 -3.369 11.778 920 HE2 TYR 719 1HE TYR 719 -8.459 0.392 9.785 921 HH TYR 719 HH TYR 719 -7.369 -1.317 12.563 922 H THR 720 H THR 720 -7.179 -6.112 5.753 923 HA THR 720 HA THR 720 -8.954 -6.207 3.450 924 HB THR 720 HB THR 720 -6.915 -5.345 2.517 925 HG1 THR 720 1HG THR 720 -7.297 -6.554 0.951 926 HG21 THR 720 2HG THR 720 -4.824 -6.568 2.600 927 H SER 721 H SER 721 -9.648 -8.218 2.807 928 HA SER 721 HA SER 721 -9.434 -10.336 4.665 929 HB2 SER 721 2HB SER 721 -10.750 -11.571 2.869 930 HB3 SER 721 1HB SER 721 -11.496 -10.097 3.482 931 HG SER 721 HG SER 721 -10.674 -10.706 0.964 932 H TYR 722 H TYR 722 -7.682 -9.362 1.909 933 HA TYR 722 HA TYR 722 -6.580 -11.812 1.065 934 HB2 TYR 722 2HB TYR 722 -5.600 -8.979 0.731 935 HB3 TYR 722 1HB TYR 722 -4.827 -10.364 -0.027 936 HD1 TYR 722 1HD TYR 722 -8.069 -8.528 0.160 937 HD2 TYR 722 2HD TYR 722 -5.606 -11.164 -2.074 938 HE1 TYR 722 1HE TYR 722 -9.606 -8.344 -1.732 939 HE2 TYR 722 2HE TYR 722 -7.129 -10.990 -3.978 940 HH TYR 722 HH TYR 722 -9.483 -10.430 -4.401 941 H ALA 723 H ALA 723 -5.993 -9.994 3.873 942 HA ALA 723 HA ALA 723 -3.238 -10.771 4.202 943 HB1 ALA 723 1HB ALA 723 -5.117 -9.455 6.164 944 HB2 ALA 723 2HB ALA 723 -3.994 -8.625 5.086 945 HB3 ALA 723 3HB ALA 723 -3.380 -9.653 6.376 946 H CYS 724 H CYS 724 -6.030 -12.498 4.481 947 HA CYS 724 HA CYS 724 -4.959 -14.165 6.633 948 HB2 CYS 724 2HB CYS 724 -7.736 -14.045 5.448 949 HB3 CYS 724 1HB CYS 724 -7.203 -15.372 6.472 950 HA PRO 725 HA PRO 725 -4.046 -17.067 3.371 951 HB2 PRO 725 2HB PRO 725 -2.800 -18.925 4.884 952 HB3 PRO 725 1HB PRO 725 -2.031 -17.393 4.466 953 HG2 PRO 725 2HG PRO 725 -3.166 -18.286 7.051 954 HG3 PRO 725 1HG PRO 725 -1.904 -17.093 6.736 955 HD2 PRO 725 2HD PRO 725 -4.642 -16.589 7.320 956 HD3 PRO 725 1HD PRO 725 -3.397 -15.416 6.844 Start of MODEL 20 1 H1 GLU 578 1HT GLU 578 3.208 -9.121 21.444 2 H2 GLU 578 2HT GLU 578 4.374 -8.914 20.226 3 H3 GLU 578 3HT GLU 578 4.811 -9.571 21.701 4 HA GLU 578 HA GLU 578 3.533 -11.504 21.349 5 HB2 GLU 578 2HB GLU 578 2.858 -10.280 18.655 6 HB3 GLU 578 1HB GLU 578 2.497 -11.923 19.138 7 HG2 GLU 578 2HG GLU 578 1.034 -11.062 20.912 8 HG3 GLU 578 1HG GLU 578 1.373 -9.420 20.369 9 H ALA 579 H ALA 579 5.074 -10.008 18.477 10 HA ALA 579 HA ALA 579 6.953 -12.246 18.530 11 HB1 ALA 579 1HB ALA 579 5.437 -12.340 16.641 12 HB2 ALA 579 2HB ALA 579 7.094 -12.002 16.129 13 HB3 ALA 579 3HB ALA 579 5.906 -10.702 16.191 14 H GLU 580 H GLU 580 9.062 -11.770 18.388 15 HA GLU 580 HA GLU 580 10.085 -9.390 17.299 16 HB2 GLU 580 2HB GLU 580 9.321 -8.542 19.524 17 HB3 GLU 580 1HB GLU 580 10.362 -9.727 20.299 18 HG2 GLU 580 2HG GLU 580 12.315 -8.671 19.288 19 HG3 GLU 580 1HG GLU 580 11.269 -7.488 18.503 20 H ALA 581 H ALA 581 11.787 -10.162 16.340 21 HA ALA 581 HA ALA 581 13.035 -12.594 17.339 22 HB1 ALA 581 1HB ALA 581 12.499 -12.448 14.942 23 HB2 ALA 581 2HB ALA 581 14.233 -12.630 15.209 24 HB3 ALA 581 3HB ALA 581 13.569 -11.051 14.790 25 H GLU 582 H GLU 582 14.157 -9.462 16.120 26 HA GLU 582 HA GLU 582 15.633 -8.784 18.366 27 HB2 GLU 582 2HB GLU 582 17.137 -10.610 17.711 28 HB3 GLU 582 1HB GLU 582 17.326 -9.901 16.118 29 HG2 GLU 582 2HG GLU 582 18.419 -7.960 17.093 30 HG3 GLU 582 1HG GLU 582 18.184 -8.626 18.707 31 H PHE 583 H PHE 583 16.770 -8.441 15.024 32 HA PHE 583 HA PHE 583 16.015 -5.613 15.232 33 HB2 PHE 583 2HB PHE 583 18.489 -6.225 14.948 34 HB3 PHE 583 1HB PHE 583 18.071 -6.790 13.339 35 HD1 PHE 583 1HD PHE 583 18.509 -3.891 15.493 36 HD2 PHE 583 2HD PHE 583 17.508 -5.173 11.562 37 HE1 PHE 583 1HE PHE 583 18.819 -1.605 14.665 38 HE2 PHE 583 2HE PHE 583 17.813 -2.900 10.737 39 HZ PHE 583 HZ PHE 583 18.472 -1.100 12.284 40 H LEU 584 H LEU 584 16.079 -8.462 13.122 41 HA LEU 584 HA LEU 584 13.976 -7.204 11.557 42 HB2 LEU 584 2HB LEU 584 15.705 -9.584 10.853 43 HB3 LEU 584 1HB LEU 584 14.286 -9.140 9.944 44 HG LEU 584 HG LEU 584 15.415 -6.945 9.419 45 HD13 LEU 584 1HD LEU 584 17.840 -8.312 10.521 46 HD21 LEU 584 2HD LEU 584 16.818 -9.458 8.538 47 H SER 585 H SER 585 12.288 -7.525 12.921 48 HA SER 585 HA SER 585 11.578 -10.292 13.561 49 HB2 SER 585 2HB SER 585 10.247 -7.692 14.352 50 HB3 SER 585 1HB SER 585 9.898 -9.293 15.009 51 HG SER 585 HG SER 585 11.627 -7.566 15.868 52 H ARG 586 H ARG 586 11.267 -8.037 11.247 53 HA ARG 586 HA ARG 586 8.706 -9.002 10.153 54 HB2 ARG 586 2HB ARG 586 8.674 -6.641 10.935 55 HB3 ARG 586 1HB ARG 586 10.094 -6.319 9.963 56 HG2 ARG 586 2HG ARG 586 8.793 -6.763 7.942 57 HG3 ARG 586 1HG ARG 586 7.360 -7.052 8.933 58 HD2 ARG 586 2HD ARG 586 7.337 -4.763 8.099 59 HD3 ARG 586 1HD ARG 586 7.549 -4.778 9.845 60 HE ARG 586 HE ARG 586 9.964 -4.630 8.226 61 HH12 ARG 586 1HH ARG 586 8.579 -1.492 10.434 62 HH21 ARG 586 2HH ARG 586 10.712 -1.402 9.412 63 H THR 587 H THR 587 9.150 -10.195 8.400 64 HA THR 587 HA THR 587 11.738 -9.953 7.095 65 HB THR 587 HB THR 587 9.483 -11.932 6.606 66 HG1 THR 587 1HG THR 587 10.206 -12.871 8.291 67 HG21 THR 587 2HG THR 587 12.345 -11.823 5.655 68 H GLU 588 H GLU 588 12.018 -9.140 5.007 69 HA GLU 588 HA GLU 588 9.576 -8.136 3.760 70 HB2 GLU 588 2HB GLU 588 10.973 -6.543 2.514 71 HB3 GLU 588 1HB GLU 588 11.155 -6.348 4.248 72 HG2 GLU 588 2HG GLU 588 13.297 -7.416 4.207 73 HG3 GLU 588 1HG GLU 588 13.100 -7.867 2.521 74 H GLY 589 H GLY 589 9.058 -8.584 1.726 75 HA2 GLY 589 2HA GLY 589 10.689 -10.580 0.307 76 HA3 GLY 589 1HA GLY 589 8.957 -10.331 0.079 77 H ASP 590 H ASP 590 9.654 -10.142 -2.261 78 HA ASP 590 HA ASP 590 10.197 -7.337 -2.803 79 HB2 ASP 590 2HB ASP 590 12.405 -8.454 -2.834 80 HB3 ASP 590 1HB ASP 590 11.807 -9.587 -4.037 81 H ASN 591 H ASN 591 9.287 -6.623 -4.666 82 HA ASN 591 HA ASN 591 7.657 -6.469 -6.171 83 HB2 ASN 591 2HB ASN 591 9.158 -8.812 -7.287 84 HB3 ASN 591 1HB ASN 591 7.813 -8.066 -8.141 85 HD21 ASN 591 2HD ASN 591 11.175 -6.626 -9.084 86 H CYS 592 H CYS 592 6.080 -6.698 -4.636 87 HA CYS 592 HA CYS 592 3.963 -7.225 -4.133 88 HB2 CYS 592 2HB CYS 592 4.083 -8.660 -6.754 89 HB3 CYS 592 1HB CYS 592 2.595 -8.394 -5.848 90 H THR 593 H THR 593 6.248 -9.338 -3.627 91 HA THR 593 HA THR 593 4.347 -11.317 -2.695 92 HB THR 593 HB THR 593 6.021 -13.128 -3.130 93 HG1 THR 593 1HG THR 593 7.424 -11.027 -4.453 94 HG21 THR 593 2HG THR 593 5.198 -11.602 -5.607 95 H VAL 594 H VAL 594 4.912 -12.304 -0.735 96 HA VAL 594 HA VAL 594 7.296 -11.273 0.511 97 HB VAL 594 HB VAL 594 5.619 -9.802 1.383 98 HG13 VAL 594 1HG VAL 594 3.950 -12.232 1.984 99 HG21 VAL 594 2HG VAL 594 7.217 -10.720 3.033 100 H PHE 595 H PHE 595 8.422 -12.728 1.536 101 HA PHE 595 HA PHE 595 7.139 -15.203 2.277 102 HB2 PHE 595 2HB PHE 595 9.134 -16.447 1.422 103 HB3 PHE 595 1HB PHE 595 8.189 -15.703 0.148 104 HD1 PHE 595 1HD PHE 595 9.100 -13.819 -1.133 105 HD2 PHE 595 2HD PHE 595 11.388 -15.717 1.912 106 HE1 PHE 595 1HE PHE 595 11.139 -12.752 -2.003 107 HE2 PHE 595 2HE PHE 595 13.428 -14.657 1.046 108 HZ PHE 595 HZ PHE 595 13.306 -13.170 -0.912 109 H ASP 596 H ASP 596 7.723 -15.878 4.192 110 HA ASP 596 HA ASP 596 9.792 -14.320 5.676 111 HB2 ASP 596 2HB ASP 596 7.410 -14.475 6.622 112 HB3 ASP 596 1HB ASP 596 7.719 -16.192 6.801 113 H SER 597 H SER 597 11.611 -15.182 5.736 114 HA SER 597 HA SER 597 12.131 -17.790 4.905 115 HB2 SER 597 2HB SER 597 13.875 -15.889 6.466 116 HB3 SER 597 1HB SER 597 14.415 -17.289 5.540 117 HG SER 597 HG SER 597 13.434 -16.272 3.699 118 H GLN 598 H GLN 598 11.436 -16.476 8.121 119 HA GLN 598 HA GLN 598 12.696 -18.723 9.384 120 HB2 GLN 598 2HB GLN 598 11.030 -16.583 10.706 121 HB3 GLN 598 1HB GLN 598 12.127 -17.703 11.492 122 HG2 GLN 598 2HG GLN 598 13.499 -15.895 11.466 123 HG3 GLN 598 1HG GLN 598 13.866 -16.492 9.849 124 HE21 GLN 598 2HE GLN 598 12.331 -13.729 8.253 125 H ALA 599 H ALA 599 9.450 -17.527 8.838 126 HA ALA 599 HA ALA 599 8.254 -19.826 10.163 127 HB1 ALA 599 1HB ALA 599 7.255 -17.579 10.343 128 HB2 ALA 599 2HB ALA 599 6.129 -18.762 9.661 129 HB3 ALA 599 3HB ALA 599 6.943 -17.596 8.615 130 H GLY 600 H GLY 600 9.252 -18.957 7.014 131 HA2 GLY 600 2HA GLY 600 9.274 -20.184 5.066 132 HA3 GLY 600 1HA GLY 600 8.608 -21.539 5.972 133 H PHE 601 H PHE 601 7.291 -18.331 5.543 134 HA PHE 601 HA PHE 601 4.910 -19.577 4.334 135 HB2 PHE 601 2HB PHE 601 4.535 -18.734 6.633 136 HB3 PHE 601 1HB PHE 601 5.065 -17.140 6.124 137 HD1 PHE 601 1HD PHE 601 2.449 -19.697 5.693 138 HD2 PHE 601 2HD PHE 601 3.578 -15.645 5.072 139 HE1 PHE 601 1HE PHE 601 0.131 -19.151 5.077 140 HE2 PHE 601 2HE PHE 601 1.287 -15.087 4.467 141 HZ PHE 601 HZ PHE 601 -0.455 -16.843 4.460 142 H SER 602 H SER 602 4.008 -18.529 2.531 143 HA SER 602 HA SER 602 5.465 -16.210 1.515 144 HB2 SER 602 2HB SER 602 5.392 -17.346 -0.732 145 HB3 SER 602 1HB SER 602 6.448 -18.127 0.445 146 HG SER 602 HG SER 602 3.814 -18.892 -0.269 147 H PHE 603 H PHE 603 4.135 -14.669 0.649 148 HA PHE 603 HA PHE 603 1.437 -15.504 -0.088 149 HB2 PHE 603 2HB PHE 603 1.930 -14.088 2.227 150 HB3 PHE 603 1HB PHE 603 1.610 -12.838 1.061 151 HD1 PHE 603 2HD PHE 603 -0.488 -12.846 -0.337 152 HD2 PHE 603 1HD PHE 603 0.043 -15.410 2.997 153 HE1 PHE 603 2HE PHE 603 -2.901 -13.258 -0.282 154 HE2 PHE 603 1HE PHE 603 -2.359 -15.832 3.064 155 HZ PHE 603 HZ PHE 603 -3.846 -14.759 1.421 156 H ASP 604 H ASP 604 0.431 -14.152 -1.589 157 HA ASP 604 HA ASP 604 2.216 -12.352 -3.107 158 HB2 ASP 604 2HB ASP 604 1.991 -14.482 -4.303 159 HB3 ASP 604 1HB ASP 604 0.237 -14.345 -4.233 160 H LEU 605 H LEU 605 1.366 -10.377 -3.171 161 HA LEU 605 HA LEU 605 -1.558 -10.165 -3.054 162 HB2 LEU 605 2HB LEU 605 0.451 -8.360 -1.691 163 HB3 LEU 605 1HB LEU 605 -1.241 -7.968 -1.836 164 HG LEU 605 HG LEU 605 -1.645 -10.197 -0.581 165 HD13 LEU 605 1HD LEU 605 0.608 -11.084 -0.745 166 HD21 LEU 605 2HD LEU 605 -1.376 -9.107 1.601 167 H THR 606 H THR 606 0.231 -10.308 -5.340 168 HA THR 606 HA THR 606 0.677 -7.963 -6.608 169 HB THR 606 HB THR 606 -0.239 -10.597 -7.773 170 HG1 THR 606 1HG THR 606 1.613 -11.188 -6.850 171 HG21 THR 606 2HG THR 606 -0.287 -8.749 -9.369 172 HA PRO 607 HA PRO 607 -3.966 -8.173 -8.429 173 HB2 PRO 607 2HB PRO 607 -5.769 -9.125 -6.559 174 HB3 PRO 607 1HB PRO 607 -5.152 -10.047 -7.930 175 HG2 PRO 607 2HG PRO 607 -4.236 -10.047 -5.082 176 HG3 PRO 607 1HG PRO 607 -4.475 -11.417 -6.182 177 HD2 PRO 607 2HD PRO 607 -2.030 -10.495 -5.695 178 HD3 PRO 607 1HD PRO 607 -2.497 -10.988 -7.337 179 H LEU 608 H LEU 608 -2.825 -7.265 -5.254 180 HA LEU 608 HA LEU 608 -5.005 -5.456 -4.829 181 HB2 LEU 608 2HB LEU 608 -2.474 -5.963 -3.282 182 HB3 LEU 608 1HB LEU 608 -3.627 -4.716 -2.880 183 HG LEU 608 HG LEU 608 -5.338 -6.529 -2.518 184 HD13 LEU 608 1HD LEU 608 -4.586 -8.780 -2.171 185 HD21 LEU 608 2HD LEU 608 -4.431 -7.240 -0.364 186 H THR 609 H THR 609 -2.007 -5.430 -6.418 187 HA THR 609 HA THR 609 -1.461 -2.649 -6.129 188 HB THR 609 HB THR 609 -0.443 -4.651 -8.168 189 HG1 THR 609 1HG THR 609 1.196 -5.031 -6.666 190 HG21 THR 609 2HG THR 609 0.725 -2.011 -7.245 191 H LYS 610 H LYS 610 -2.117 -0.970 -7.442 192 HA LYS 610 HA LYS 610 -3.658 -1.617 -9.872 193 HB2 LYS 610 2HB LYS 610 -4.056 0.737 -8.016 194 HB3 LYS 610 1HB LYS 610 -4.911 0.453 -9.502 195 HG2 LYS 610 2HG LYS 610 -5.874 -1.643 -8.418 196 HG3 LYS 610 1HG LYS 610 -5.137 -1.070 -6.931 197 HD2 LYS 610 2HD LYS 610 -6.362 0.988 -6.998 198 HD3 LYS 610 1HD LYS 610 -7.026 0.585 -8.577 199 HE2 LYS 610 2HE LYS 610 -8.211 -1.318 -7.564 200 HE3 LYS 610 1HE LYS 610 -7.561 -0.868 -5.985 201 HZ1 LYS 610 3HZ LYS 610 -8.704 1.300 -6.249 202 HZ2 LYS 610 1HZ LYS 610 -9.795 0.016 -6.236 203 HZ3 LYS 610 2HZ LYS 610 -9.388 0.754 -7.676 204 H LYS 611 H LYS 611 -3.382 0.054 -11.546 205 HA LYS 611 HA LYS 611 -0.790 1.269 -11.441 206 HB2 LYS 611 2HB LYS 611 -1.707 0.487 -13.605 207 HB3 LYS 611 1HB LYS 611 -3.003 1.671 -13.478 208 HG2 LYS 611 2HG LYS 611 -1.326 3.479 -13.506 209 HG3 LYS 611 1HG LYS 611 -0.062 2.270 -13.701 210 HD2 LYS 611 2HD LYS 611 -1.071 1.565 -15.816 211 HD3 LYS 611 1HD LYS 611 -2.326 2.792 -15.622 212 HE2 LYS 611 2HE LYS 611 -0.589 4.537 -15.618 213 HE3 LYS 611 1HE LYS 611 0.640 3.303 -15.851 214 HZ1 LYS 611 3HZ LYS 611 0.044 4.378 -17.917 215 HZ2 LYS 611 1HZ LYS 611 -1.562 3.913 -17.732 216 HZ3 LYS 611 2HZ LYS 611 -0.362 2.745 -17.970 217 H ASP 612 H ASP 612 -4.101 2.248 -11.060 218 HA ASP 612 HA ASP 612 -3.522 5.088 -11.019 219 HB2 ASP 612 2HB ASP 612 -6.082 3.637 -10.338 220 HB3 ASP 612 1HB ASP 612 -5.912 5.381 -10.478 221 H ALA 613 H ALA 613 -3.352 2.631 -8.849 222 HA ALA 613 HA ALA 613 -2.873 2.455 -6.661 223 HB1 ALA 613 1HB ALA 613 -1.269 4.218 -7.133 224 HB2 ALA 613 2HB ALA 613 -1.906 4.340 -5.488 225 HB3 ALA 613 3HB ALA 613 -2.481 5.437 -6.745 226 H TYR 614 H TYR 614 -3.371 3.538 -4.478 227 HA TYR 614 HA TYR 614 -6.290 3.756 -4.266 228 HB2 TYR 614 2HB TYR 614 -4.173 2.881 -2.309 229 HB3 TYR 614 1HB TYR 614 -5.851 3.089 -1.849 230 HD1 TYR 614 2HD TYR 614 -3.624 1.253 -4.189 231 HD2 TYR 614 1HD TYR 614 -7.373 1.304 -2.178 232 HE1 TYR 614 2HE TYR 614 -4.060 -0.971 -4.987 233 HE2 TYR 614 1HE TYR 614 -7.822 -0.975 -2.967 234 HH TYR 614 HH TYR 614 -5.361 -2.840 -4.404 235 H LYS 615 H LYS 615 -7.187 5.264 -2.899 236 HA LYS 615 HA LYS 615 -5.447 7.497 -2.229 237 HB2 LYS 615 2HB LYS 615 -7.356 9.003 -2.683 238 HB3 LYS 615 1HB LYS 615 -6.787 8.136 -4.084 239 HG2 LYS 615 2HG LYS 615 -9.086 8.111 -4.293 240 HG3 LYS 615 1HG LYS 615 -8.700 6.509 -3.672 241 HD2 LYS 615 2HD LYS 615 -10.683 7.356 -2.553 242 HD3 LYS 615 1HD LYS 615 -9.342 7.247 -1.411 243 HE2 LYS 615 2HE LYS 615 -8.944 9.643 -1.646 244 HE3 LYS 615 1HE LYS 615 -10.251 9.753 -2.821 245 HZ1 LYS 615 3HZ LYS 615 -11.769 8.970 -1.062 246 HZ2 LYS 615 1HZ LYS 615 -11.044 10.440 -0.669 247 HZ3 LYS 615 2HZ LYS 615 -10.520 8.990 0.042 248 H VAL 616 H VAL 616 -5.586 8.374 -0.262 249 HA VAL 616 HA VAL 616 -7.742 7.541 1.571 250 HB VAL 616 HB VAL 616 -4.851 7.984 2.360 251 HG13 VAL 616 1HG VAL 616 -7.159 6.854 3.912 252 HG21 VAL 616 2HG VAL 616 -6.233 5.330 1.996 253 H GLU 617 H GLU 617 -8.706 9.439 2.247 254 HA GLU 617 HA GLU 617 -6.953 11.780 2.194 255 HB2 GLU 617 2HB GLU 617 -8.780 13.214 1.542 256 HB3 GLU 617 1HB GLU 617 -8.587 11.918 0.378 257 HG2 GLU 617 2HG GLU 617 -10.501 10.756 1.363 258 HG3 GLU 617 1HG GLU 617 -10.686 12.072 2.528 259 H THR 618 H THR 618 -7.032 13.207 3.781 260 HA THR 618 HA THR 618 -8.914 12.788 5.966 261 HB THR 618 HB THR 618 -7.062 13.339 7.549 262 HG1 THR 618 1HG THR 618 -5.469 13.095 5.209 263 HG21 THR 618 2HG THR 618 -6.515 10.886 5.868 264 H ASP 619 H ASP 619 -8.455 14.907 7.460 265 HA ASP 619 HA ASP 619 -9.004 17.160 5.813 266 HB2 ASP 619 2HB ASP 619 -8.454 16.911 8.764 267 HB3 ASP 619 1HB ASP 619 -8.656 18.474 7.988 268 H LYS 620 H LYS 620 -6.128 15.851 7.210 269 HA LYS 620 HA LYS 620 -4.624 18.299 6.878 270 HB2 LYS 620 2HB LYS 620 -3.620 15.534 7.551 271 HB3 LYS 620 1HB LYS 620 -2.673 17.005 7.624 272 HG2 LYS 620 2HG LYS 620 -4.230 17.823 9.395 273 HG3 LYS 620 1HG LYS 620 -5.006 16.237 9.370 274 HD2 LYS 620 2HD LYS 620 -2.106 16.813 10.049 275 HD3 LYS 620 1HD LYS 620 -3.370 16.360 11.186 276 HE2 LYS 620 2HE LYS 620 -3.582 14.167 10.039 277 HE3 LYS 620 1HE LYS 620 -2.292 14.641 8.939 278 HZ1 LYS 620 3HZ LYS 620 -1.404 13.256 10.698 279 HZ2 LYS 620 1HZ LYS 620 -2.035 14.257 11.879 280 HZ3 LYS 620 2HZ LYS 620 -0.789 14.800 10.885 281 H TYR 621 H TYR 621 -4.412 15.014 5.462 282 HA TYR 621 HA TYR 621 -3.171 16.222 3.061 283 HB2 TYR 621 2HB TYR 621 -2.211 13.643 4.296 284 HB3 TYR 621 1HB TYR 621 -1.499 14.542 2.978 285 HD1 TYR 621 2HD TYR 621 -0.322 16.737 3.533 286 HD2 TYR 621 1HD TYR 621 -1.587 13.985 6.511 287 HE1 TYR 621 2HE TYR 621 1.242 17.745 5.139 288 HE2 TYR 621 1HE TYR 621 -0.041 14.976 8.114 289 HH TYR 621 HH TYR 621 2.021 16.280 8.090 290 H GLU 622 H GLU 622 -3.380 14.841 1.192 291 HA GLU 622 HA GLU 622 -5.112 12.539 1.615 292 HB2 GLU 622 2HB GLU 622 -5.758 12.638 -0.766 293 HB3 GLU 622 1HB GLU 622 -6.190 14.133 0.047 294 HG2 GLU 622 2HG GLU 622 -4.349 15.270 -0.986 295 HG3 GLU 622 1HG GLU 622 -3.747 13.758 -1.671 296 H PHE 623 H PHE 623 -4.316 10.641 1.122 297 HA PHE 623 HA PHE 623 -1.503 10.607 0.286 298 HB2 PHE 623 2HB PHE 623 -3.025 8.594 1.943 299 HB3 PHE 623 1HB PHE 623 -1.317 8.548 1.558 300 HD1 PHE 623 2HD PHE 623 -3.904 10.162 3.581 301 HD2 PHE 623 1HD PHE 623 0.255 9.943 2.719 302 HE1 PHE 623 2HE PHE 623 -3.420 11.405 5.643 303 HE2 PHE 623 1HE PHE 623 0.746 11.185 4.779 304 HZ PHE 623 HZ PHE 623 -1.087 11.916 6.245 305 H HIS 624 H HIS 624 -0.963 9.290 -1.338 306 HA HIS 624 HA HIS 624 -3.027 7.476 -2.298 307 HB2 HIS 624 2HB HIS 624 -1.096 9.085 -4.001 308 HB3 HIS 624 1HB HIS 624 -2.120 7.791 -4.625 309 HD1 HIS 624 1HD HIS 624 -4.578 8.376 -5.131 310 HD2 HIS 624 2HD HIS 624 -2.539 11.429 -3.160 311 HE1 HIS 624 1HE HIS 624 -6.112 10.356 -5.150 312 HE2 HIS 624 2HE HIS 624 -4.914 12.146 -3.858 313 H ILE 625 H ILE 625 -2.497 5.482 -2.269 314 HA ILE 625 HA ILE 625 0.337 4.773 -1.812 315 HB ILE 625 HB ILE 625 -2.077 3.525 -0.450 316 HG12 ILE 625 1HG ILE 625 -0.091 5.530 0.655 317 HG23 ILE 625 2HG ILE 625 -0.168 2.014 -0.672 318 HD11 ILE 625 1HD ILE 625 -2.446 4.242 2.003 319 H ASN 626 H ASN 626 0.878 2.623 -2.558 320 HA ASN 626 HA ASN 626 -1.114 1.186 -4.023 321 HB2 ASN 626 2HB ASN 626 -0.016 2.871 -5.588 322 HB3 ASN 626 1HB ASN 626 1.499 1.990 -5.336 323 HD21 ASN 626 2HD ASN 626 0.367 0.638 -8.364 324 H VAL 627 H VAL 627 -0.281 -1.012 -4.460 325 HA VAL 627 HA VAL 627 1.219 -1.829 -2.133 326 HB VAL 627 HB VAL 627 0.052 -3.519 -4.354 327 HG13 VAL 627 1HG VAL 627 1.047 -4.335 -1.619 328 HG21 VAL 627 2HG VAL 627 -0.946 -2.783 -1.642 329 H CYS 628 H CYS 628 1.826 -1.600 -5.440 330 HA CYS 628 HA CYS 628 4.673 -2.112 -5.006 331 HB2 CYS 628 2HB CYS 628 3.101 -3.457 -7.214 332 HB3 CYS 628 1HB CYS 628 4.836 -3.539 -6.982 333 H GLY 629 H GLY 629 5.899 -0.833 -6.324 334 HA2 GLY 629 2HA GLY 629 6.442 0.408 -8.202 335 HA3 GLY 629 1HA GLY 629 4.822 0.125 -8.819 336 HA PRO 630 HA PRO 630 4.856 4.411 -7.298 337 HB2 PRO 630 2HB PRO 630 4.309 5.678 -9.569 338 HB3 PRO 630 1HB PRO 630 5.936 5.112 -9.221 339 HG2 PRO 630 2HG PRO 630 3.911 3.995 -11.084 340 HG3 PRO 630 1HG PRO 630 5.676 3.954 -11.188 341 HD2 PRO 630 2HD PRO 630 3.971 1.876 -10.271 342 HD3 PRO 630 1HD PRO 630 5.739 1.918 -10.180 343 H VAL 631 H VAL 631 3.188 6.023 -7.343 344 HA VAL 631 HA VAL 631 0.476 4.927 -7.679 345 HB VAL 631 HB VAL 631 -0.272 6.742 -6.159 346 HG13 VAL 631 1HG VAL 631 1.938 5.031 -5.094 347 HG21 VAL 631 2HG VAL 631 1.462 8.404 -6.645 348 H SER 632 H SER 632 -1.028 6.067 -8.879 349 HA SER 632 HA SER 632 0.111 8.139 -10.608 350 HB2 SER 632 2HB SER 632 -2.727 7.094 -10.499 351 HB3 SER 632 1HB SER 632 -2.092 8.201 -11.710 352 HG SER 632 HG SER 632 -0.517 6.038 -11.504 353 H VAL 633 H VAL 633 0.112 10.235 -10.105 354 HA VAL 633 HA VAL 633 -2.175 11.542 -8.918 355 HB VAL 633 HB VAL 633 0.569 12.000 -7.655 356 HG13 VAL 633 1HG VAL 633 -2.156 12.883 -6.765 357 HG21 VAL 633 2HG VAL 633 -0.142 9.756 -6.975 358 H GLY 634 H GLY 634 -2.063 13.856 -9.474 359 HA2 GLY 634 2HA GLY 634 -0.184 14.348 -11.665 360 HA3 GLY 634 1HA GLY 634 -1.627 15.283 -11.299 361 H ALA 635 H ALA 635 0.295 14.559 -8.604 362 HA ALA 635 HA ALA 635 1.684 17.141 -8.731 363 HB1 ALA 635 1HB ALA 635 0.974 17.651 -6.435 364 HB2 ALA 635 2HB ALA 635 -0.001 16.183 -6.411 365 HB3 ALA 635 3HB ALA 635 -0.412 17.493 -7.516 366 H CYS 636 H CYS 636 2.375 14.164 -8.845 367 HA CYS 636 HA CYS 636 4.452 14.203 -6.783 368 HB2 CYS 636 2HB CYS 636 2.640 11.831 -7.341 369 HB3 CYS 636 1HB CYS 636 3.960 11.874 -6.186 370 HA PRO 637 HA PRO 637 6.761 12.629 -10.248 371 HB2 PRO 637 2HB PRO 637 8.714 11.130 -9.112 372 HB3 PRO 637 1HB PRO 637 8.697 12.890 -8.993 373 HG2 PRO 637 2HG PRO 637 7.906 10.843 -6.997 374 HG3 PRO 637 1HG PRO 637 8.743 12.379 -6.745 375 HD2 PRO 637 2HD PRO 637 6.064 11.996 -6.264 376 HD3 PRO 637 1HD PRO 637 6.820 13.561 -6.622 377 HA PRO 638 HA PRO 638 5.003 8.677 -11.313 378 HB2 PRO 638 2HB PRO 638 6.602 7.971 -13.390 379 HB3 PRO 638 1HB PRO 638 5.391 9.255 -13.503 380 HG2 PRO 638 2HG PRO 638 8.341 9.484 -13.005 381 HG3 PRO 638 1HG PRO 638 7.328 10.421 -14.119 382 HD2 PRO 638 2HD PRO 638 8.063 11.385 -11.725 383 HD3 PRO 638 1HD PRO 638 6.470 11.736 -12.418 384 H ASP 639 H ASP 639 7.659 8.836 -9.561 385 HA ASP 639 HA ASP 639 8.070 5.933 -9.584 386 HB2 ASP 639 2HB ASP 639 10.190 8.040 -9.139 387 HB3 ASP 639 1HB ASP 639 10.413 6.352 -8.744 388 H SER 640 H SER 640 6.554 8.150 -8.004 389 HA SER 640 HA SER 640 7.505 7.521 -5.341 390 HB2 SER 640 2HB SER 640 6.804 9.818 -5.802 391 HB3 SER 640 1HB SER 640 5.216 9.255 -6.334 392 HG SER 640 HG SER 640 6.363 9.266 -3.763 393 H GLY 641 H GLY 641 6.640 5.794 -4.248 394 HA2 GLY 641 2HA GLY 641 4.220 4.587 -5.370 395 HA3 GLY 641 1HA GLY 641 5.321 3.762 -4.290 396 H ALA 642 H ALA 642 5.049 6.672 -2.989 397 HA ALA 642 HA ALA 642 2.389 6.509 -1.882 398 HB1 ALA 642 1HB ALA 642 3.210 6.616 0.453 399 HB2 ALA 642 2HB ALA 642 4.861 6.391 -0.131 400 HB3 ALA 642 3HB ALA 642 3.675 5.103 -0.327 401 H CYS 643 H CYS 643 1.668 8.534 -1.877 402 HA CYS 643 HA CYS 643 3.553 10.703 -1.433 403 HB2 CYS 643 2HB CYS 643 3.608 10.320 -3.857 404 HB3 CYS 643 1HB CYS 643 1.868 10.559 -3.935 405 H GLN 644 H GLN 644 2.710 12.490 -0.503 406 HA GLN 644 HA GLN 644 -0.176 12.440 -0.001 407 HB2 GLN 644 2HB GLN 644 0.256 13.487 2.188 408 HB3 GLN 644 1HB GLN 644 1.021 11.913 2.082 409 HG2 GLN 644 2HG GLN 644 3.177 13.084 1.656 410 HG3 GLN 644 1HG GLN 644 2.305 14.604 1.804 411 HE21 GLN 644 2HE GLN 644 3.938 13.538 5.036 412 H VAL 645 H VAL 645 -1.246 14.177 -0.429 413 HA VAL 645 HA VAL 645 0.216 16.647 -1.055 414 HB VAL 645 HB VAL 645 -2.558 15.804 -1.993 415 HG13 VAL 645 1HG VAL 645 -2.341 18.221 -1.781 416 HG21 VAL 645 2HG VAL 645 0.029 15.913 -3.557 417 H SER 646 H SER 646 -0.068 18.175 0.437 418 HA SER 646 HA SER 646 -1.849 17.721 2.619 419 HB2 SER 646 2HB SER 646 0.285 18.841 3.005 420 HB3 SER 646 1HB SER 646 -0.191 20.147 1.919 421 HG SER 646 HG SER 646 -0.925 19.633 4.542 422 H ARG 647 H ARG 647 -3.676 18.667 3.067 423 HA ARG 647 HA ARG 647 -4.963 20.072 0.844 424 HB2 ARG 647 2HB ARG 647 -6.287 18.740 3.210 425 HB3 ARG 647 1HB ARG 647 -7.034 19.199 1.682 426 HG2 ARG 647 2HG ARG 647 -5.640 17.520 0.526 427 HG3 ARG 647 1HG ARG 647 -4.969 17.039 2.076 428 HD2 ARG 647 2HD ARG 647 -6.613 15.456 1.674 429 HD3 ARG 647 1HD ARG 647 -7.400 16.598 2.749 430 HE ARG 647 HE ARG 647 -7.828 17.252 0.037 431 HH12 ARG 647 1HH ARG 647 -10.436 14.779 1.877 432 HH21 ARG 647 2HH ARG 647 -10.872 15.488 -0.273 433 H SER 648 H SER 648 -4.041 20.172 4.213 434 HA SER 648 HA SER 648 -5.502 22.584 4.764 435 HB2 SER 648 2HB SER 648 -3.316 21.234 6.348 436 HB3 SER 648 1HB SER 648 -4.430 22.462 6.938 437 HG SER 648 HG SER 648 -5.950 20.570 5.955 438 H ASP 649 H ASP 649 -2.066 21.686 4.107 439 HA ASP 649 HA ASP 649 -1.407 24.558 4.236 440 HB2 ASP 649 2HB ASP 649 -0.201 22.972 5.774 441 HB3 ASP 649 1HB ASP 649 0.493 22.205 4.356 442 H ARG 650 H ARG 650 -1.912 22.058 2.130 443 HA ARG 650 HA ARG 650 -1.885 21.861 -0.131 444 HB2 ARG 650 2HB ARG 650 -1.226 24.777 0.054 445 HB3 ARG 650 1HB ARG 650 -1.433 23.952 -1.483 446 HG2 ARG 650 2HG ARG 650 -3.512 24.057 0.682 447 HG3 ARG 650 1HG ARG 650 -3.451 25.165 -0.693 448 HD2 ARG 650 2HD ARG 650 -3.805 22.159 -0.796 449 HD3 ARG 650 1HD ARG 650 -5.009 23.393 -1.165 450 HE ARG 650 HE ARG 650 -2.938 23.969 -2.815 451 HH12 ARG 650 1HH ARG 650 -4.838 20.551 -3.927 452 HH21 ARG 650 2HH ARG 650 -3.442 21.694 -5.468 453 H LYS 651 H LYS 651 0.715 21.521 1.446 454 HA LYS 651 HA LYS 651 2.531 21.776 -0.807 455 HB2 LYS 651 2HB LYS 651 3.004 20.792 1.989 456 HB3 LYS 651 1HB LYS 651 4.222 20.838 0.726 457 HG2 LYS 651 2HG LYS 651 3.876 23.279 0.568 458 HG3 LYS 651 1HG LYS 651 2.777 23.155 1.942 459 HD2 LYS 651 2HD LYS 651 4.978 23.818 2.704 460 HD3 LYS 651 1HD LYS 651 4.584 22.192 3.280 461 HE2 LYS 651 2HE LYS 651 6.896 22.332 2.495 462 HE3 LYS 651 1HE LYS 651 5.934 21.220 1.520 463 HZ1 LYS 651 3HZ LYS 651 5.736 22.932 -0.181 464 HZ2 LYS 651 1HZ LYS 651 7.361 22.671 0.164 465 HZ3 LYS 651 2HZ LYS 651 6.584 24.023 0.778 466 H SER 652 H SER 652 4.083 19.735 -0.833 467 HA SER 652 HA SER 652 2.475 17.313 -0.864 468 HB2 SER 652 2HB SER 652 3.327 16.864 -3.202 469 HB3 SER 652 1HB SER 652 2.129 18.155 -3.074 470 HG SER 652 HG SER 652 4.932 18.651 -3.040 471 H TRP 653 H TRP 653 3.681 15.464 -0.549 472 HA TRP 653 HA TRP 653 6.645 15.512 -0.664 473 HB2 TRP 653 2HB TRP 653 5.210 14.525 1.803 474 HB3 TRP 653 1HB TRP 653 6.898 14.544 1.458 475 HD1 TRP 653 HD TRP 653 8.278 16.634 2.181 476 HE1 TRP 653 1HE TRP 653 7.693 18.709 3.592 477 HE3 TRP 653 3HE TRP 653 3.228 16.229 2.091 478 HZ2 TRP 653 2HZ TRP 653 5.352 20.020 4.503 479 HZ3 TRP 653 3HZ TRP 653 1.879 17.860 3.212 480 HH2 TRP 653 HH TRP 653 2.905 19.767 4.423 481 H ASN 654 H ASN 654 7.462 13.894 -1.108 482 HA ASN 654 HA ASN 654 5.959 11.591 -1.920 483 HB2 ASN 654 2HB ASN 654 7.607 12.563 -3.348 484 HB3 ASN 654 1HB ASN 654 8.782 12.578 -2.060 485 HD21 ASN 654 2HD ASN 654 10.094 10.003 -3.819 486 H LEU 655 H LEU 655 5.763 9.827 -0.581 487 HA LEU 655 HA LEU 655 7.247 9.865 1.963 488 HB2 LEU 655 2HB LEU 655 4.869 8.193 1.197 489 HB3 LEU 655 1HB LEU 655 5.662 8.199 2.745 490 HG LEU 655 HG LEU 655 4.940 10.735 2.741 491 HD13 LEU 655 1HD LEU 655 3.058 9.594 0.833 492 HD21 LEU 655 2HD LEU 655 4.168 9.168 4.380 493 H GLY 656 H GLY 656 7.515 8.466 -1.000 494 HA2 GLY 656 2HA GLY 656 9.677 7.002 -0.265 495 HA3 GLY 656 1HA GLY 656 8.322 5.904 -0.120 496 H ARG 657 H ARG 657 10.639 6.115 -1.899 497 HA ARG 657 HA ARG 657 9.410 6.565 -4.465 498 HB2 ARG 657 2HB ARG 657 11.746 7.313 -4.017 499 HB3 ARG 657 1HB ARG 657 12.210 5.635 -3.795 500 HG2 ARG 657 2HG ARG 657 11.742 5.137 -6.087 501 HG3 ARG 657 1HG ARG 657 11.054 6.740 -6.340 502 HD2 ARG 657 2HD ARG 657 13.199 7.741 -5.816 503 HD3 ARG 657 1HD ARG 657 13.913 6.139 -5.610 504 HE ARG 657 HE ARG 657 13.071 5.866 -8.035 505 HH12 ARG 657 1HH ARG 657 15.134 9.378 -8.119 506 HH21 ARG 657 2HH ARG 657 14.886 8.072 -10.092 507 H SER 658 H SER 658 8.928 5.005 -5.859 508 HA SER 658 HA SER 658 7.636 2.866 -4.905 509 HB2 SER 658 2HB SER 658 7.546 2.078 -7.216 510 HB3 SER 658 1HB SER 658 7.116 3.755 -6.963 511 HG SER 658 HG SER 658 9.780 3.456 -7.465 512 H ASN 659 H ASN 659 7.916 0.952 -4.398 513 HA ASN 659 HA ASN 659 10.068 -0.699 -5.294 514 HB2 ASN 659 2HB ASN 659 10.902 -1.268 -3.087 515 HB3 ASN 659 1HB ASN 659 10.950 0.485 -3.176 516 HD21 ASN 659 2HD ASN 659 9.478 -0.609 0.036 517 H ALA 660 H ALA 660 9.497 -2.970 -4.215 518 HA ALA 660 HA ALA 660 6.594 -3.035 -3.898 519 HB1 ALA 660 1HB ALA 660 8.286 -4.817 -5.609 520 HB2 ALA 660 2HB ALA 660 7.130 -3.622 -6.166 521 HB3 ALA 660 3HB ALA 660 6.543 -5.041 -5.300 522 H LYS 661 H LYS 661 8.832 -3.113 -1.999 523 HA LYS 661 HA LYS 661 9.104 -5.777 -1.048 524 HB2 LYS 661 2HB LYS 661 9.786 -3.142 0.180 525 HB3 LYS 661 1HB LYS 661 9.719 -4.564 1.189 526 HG2 LYS 661 2HG LYS 661 11.971 -4.226 0.614 527 HG3 LYS 661 1HG LYS 661 11.413 -5.598 -0.325 528 HD2 LYS 661 2HD LYS 661 11.208 -4.164 -2.276 529 HD3 LYS 661 1HD LYS 661 11.748 -2.777 -1.320 530 HE2 LYS 661 2HE LYS 661 13.326 -5.285 -1.920 531 HE3 LYS 661 1HE LYS 661 13.639 -3.671 -2.550 532 HZ1 LYS 661 3HZ LYS 661 15.145 -4.167 -0.733 533 HZ2 LYS 661 1HZ LYS 661 13.897 -4.515 0.320 534 HZ3 LYS 661 2HZ LYS 661 14.127 -2.933 -0.244 535 H LEU 662 H LEU 662 7.306 -6.819 -0.593 536 HA LEU 662 HA LEU 662 5.413 -5.660 1.244 537 HB2 LEU 662 2HB LEU 662 5.726 -8.425 0.116 538 HB3 LEU 662 1HB LEU 662 4.426 -7.997 1.243 539 HG LEU 662 HG LEU 662 4.877 -7.239 -1.619 540 HD13 LEU 662 1HD LEU 662 2.669 -8.220 -1.886 541 HD21 LEU 662 2HD LEU 662 2.896 -5.847 -1.481 542 H SER 663 H SER 663 5.449 -6.006 3.375 543 HA SER 663 HA SER 663 7.779 -7.474 4.382 544 HB2 SER 663 2HB SER 663 6.216 -5.212 5.630 545 HB3 SER 663 1HB SER 663 7.692 -5.944 6.279 546 HG SER 663 HG SER 663 7.867 -5.108 3.689 547 H TYR 664 H TYR 664 7.405 -8.729 6.360 548 HA TYR 664 HA TYR 664 4.565 -9.287 6.862 549 HB2 TYR 664 2HB TYR 664 5.922 -11.005 5.415 550 HB3 TYR 664 1HB TYR 664 6.671 -11.407 6.940 551 HD1 TYR 664 2HD TYR 664 3.343 -11.130 5.279 552 HD2 TYR 664 1HD TYR 664 5.651 -12.954 8.381 553 HE1 TYR 664 2HE TYR 664 1.522 -12.621 5.720 554 HE2 TYR 664 1HE TYR 664 3.797 -14.498 8.823 555 HH TYR 664 HH TYR 664 1.153 -14.837 6.702 556 H TYR 665 H TYR 665 4.191 -8.845 8.917 557 HA TYR 665 HA TYR 665 6.409 -9.114 10.819 558 HB2 TYR 665 2HB TYR 665 5.516 -6.823 10.629 559 HB3 TYR 665 1HB TYR 665 3.910 -7.416 11.008 560 HD1 TYR 665 1HD TYR 665 7.352 -7.138 12.440 561 HD2 TYR 665 2HD TYR 665 3.180 -7.432 13.241 562 HE1 TYR 665 1HE TYR 665 7.784 -6.716 14.825 563 HE2 TYR 665 2HE TYR 665 3.601 -7.011 15.621 564 HH TYR 665 HH TYR 665 6.579 -5.864 16.769 565 H ASP 666 H ASP 666 6.221 -11.191 11.303 566 HA ASP 666 HA ASP 666 5.656 -12.991 12.465 567 HB2 ASP 666 2HB ASP 666 5.112 -11.531 14.335 568 HB3 ASP 666 1HB ASP 666 3.488 -11.291 13.703 569 H GLY 667 H GLY 667 2.603 -11.502 11.591 570 HA2 GLY 667 2HA GLY 667 2.054 -13.729 9.842 571 HA3 GLY 667 1HA GLY 667 0.977 -13.617 11.211 572 H MET 668 H MET 668 1.935 -10.498 10.317 573 HA MET 668 HA MET 668 -0.388 -10.275 8.566 574 HB2 MET 668 2HB MET 668 0.728 -8.181 10.456 575 HB3 MET 668 1HB MET 668 -0.567 -7.911 9.309 576 HG2 MET 668 2HG MET 668 -1.567 -8.173 11.442 577 HG3 MET 668 1HG MET 668 -1.900 -9.643 10.539 578 HE1 MET 668 3HE MET 668 0.120 -7.982 13.457 579 HE2 MET 668 1HE MET 668 1.426 -8.535 12.408 580 HE3 MET 668 2HE MET 668 1.176 -9.296 13.977 581 H ILE 669 H ILE 669 -0.156 -9.235 6.698 582 HA ILE 669 HA ILE 669 2.512 -8.815 5.743 583 HB ILE 669 HB ILE 669 -0.176 -8.353 4.440 584 HG12 ILE 669 1HG ILE 669 0.590 -10.056 2.820 585 HG23 ILE 669 2HG ILE 669 0.986 -7.955 2.290 586 HD11 ILE 669 1HD ILE 669 0.063 -12.029 4.084 587 H GLN 670 H GLN 670 3.478 -6.890 5.376 588 HA GLN 670 HA GLN 670 1.912 -4.482 5.818 589 HB2 GLN 670 2HB GLN 670 4.740 -4.863 6.858 590 HB3 GLN 670 1HB GLN 670 3.778 -3.395 6.959 591 HG2 GLN 670 2HG GLN 670 2.147 -4.676 8.353 592 HG3 GLN 670 1HG GLN 670 3.305 -6.002 8.366 593 HE21 GLN 670 2HE GLN 670 3.824 -2.768 10.709 594 H LEU 671 H LEU 671 3.364 -2.572 4.994 595 HA LEU 671 HA LEU 671 4.785 -3.362 2.549 596 HB2 LEU 671 2HB LEU 671 2.447 -3.048 1.899 597 HB3 LEU 671 1HB LEU 671 2.424 -1.488 2.684 598 HG LEU 671 HG LEU 671 3.967 -0.607 0.965 599 HD13 LEU 671 1HD LEU 671 3.648 -3.319 -0.285 600 HD21 LEU 671 2HD LEU 671 1.550 -1.993 -0.136 601 H THR 672 H THR 672 6.575 -2.156 2.381 602 HA THR 672 HA THR 672 6.714 0.153 4.188 603 HB THR 672 HB THR 672 8.964 -1.747 3.474 604 HG1 THR 672 1HG THR 672 8.008 -2.978 4.927 605 HG21 THR 672 2HG THR 672 10.135 -0.642 5.332 606 H TYR 673 H TYR 673 6.799 1.920 3.019 607 HA TYR 673 HA TYR 673 8.402 1.919 0.566 608 HB2 TYR 673 2HB TYR 673 6.244 3.808 1.470 609 HB3 TYR 673 1HB TYR 673 7.408 4.280 0.242 610 HD1 TYR 673 1HD TYR 673 7.735 2.519 -1.659 611 HD2 TYR 673 2HD TYR 673 4.245 2.847 0.736 612 HE1 TYR 673 1HE TYR 673 6.451 1.446 -3.424 613 HE2 TYR 673 2HE TYR 673 2.940 1.732 -1.030 614 HH TYR 673 HH TYR 673 4.215 -0.000 -3.478 615 H ARG 674 H ARG 674 10.198 2.978 0.341 616 HA ARG 674 HA ARG 674 11.201 4.502 2.656 617 HB2 ARG 674 2HB ARG 674 12.678 2.538 0.918 618 HB3 ARG 674 1HB ARG 674 13.382 3.449 2.239 619 HG2 ARG 674 2HG ARG 674 11.909 2.252 3.805 620 HG3 ARG 674 1HG ARG 674 11.247 1.334 2.452 621 HD2 ARG 674 2HD ARG 674 12.963 0.047 3.595 622 HD3 ARG 674 1HD ARG 674 13.474 0.456 1.955 623 HE ARG 674 HE ARG 674 14.302 2.303 3.977 624 HH12 ARG 674 1HH ARG 674 16.856 -0.515 2.535 625 HH21 ARG 674 2HH ARG 674 17.667 1.282 3.781 626 H ASP 675 H ASP 675 13.328 5.661 1.892 627 HA ASP 675 HA ASP 675 14.397 7.177 0.595 628 HB2 ASP 675 2HB ASP 675 13.163 5.581 -1.644 629 HB3 ASP 675 1HB ASP 675 14.166 6.989 -1.959 630 H GLY 676 H GLY 676 11.652 7.671 1.566 631 HA2 GLY 676 2HA GLY 676 10.432 9.442 -0.289 632 HA3 GLY 676 1HA GLY 676 10.096 9.306 1.434 633 H THR 677 H THR 677 9.946 11.718 0.713 634 HA THR 677 HA THR 677 12.367 13.199 0.573 635 HB THR 677 HB THR 677 9.549 14.095 1.303 636 HG1 THR 677 1HG THR 677 10.757 13.362 -1.068 637 HG21 THR 677 2HG THR 677 11.280 15.780 1.801 638 HA PRO 678 HA PRO 678 13.158 13.119 5.076 639 HB2 PRO 678 2HB PRO 678 14.850 15.481 4.451 640 HB3 PRO 678 1HB PRO 678 15.302 13.972 5.248 641 HG2 PRO 678 2HG PRO 678 16.099 14.479 2.762 642 HG3 PRO 678 1HG PRO 678 15.602 12.848 3.243 643 HD2 PRO 678 2HD PRO 678 14.071 14.910 1.699 644 HD3 PRO 678 1HD PRO 678 14.202 13.155 1.428 645 H TYR 679 H TYR 679 12.571 14.447 6.846 646 HA TYR 679 HA TYR 679 10.703 16.612 6.164 647 HB2 TYR 679 2HB TYR 679 11.234 15.675 9.019 648 HB3 TYR 679 1HB TYR 679 9.827 16.427 8.276 649 HD1 TYR 679 1HD TYR 679 11.764 13.233 8.262 650 HD2 TYR 679 2HD TYR 679 8.015 15.149 7.695 651 HE1 TYR 679 1HE TYR 679 10.699 11.056 8.016 652 HE2 TYR 679 2HE TYR 679 6.948 12.949 7.447 653 HH TYR 679 HH TYR 679 8.535 10.006 8.140 654 H ASN 680 H ASN 680 12.783 16.199 8.963 655 HA ASN 680 HA ASN 680 14.733 18.066 8.378 656 HB2 ASN 680 2HB ASN 680 12.828 19.609 9.009 657 HB3 ASN 680 1HB ASN 680 12.719 18.754 10.546 658 HD21 ASN 680 2HD ASN 680 15.644 21.423 9.840 659 H ASN 681 H ASN 681 16.313 16.825 9.207 660 HA ASN 681 HA ASN 681 16.119 15.763 11.870 661 HB2 ASN 681 2HB ASN 681 14.897 14.036 10.593 662 HB3 ASN 681 1HB ASN 681 16.250 13.889 9.483 663 HD21 ASN 681 2HD ASN 681 16.288 12.008 13.050 664 H GLU 682 H GLU 682 18.171 15.358 12.681 665 HA GLU 682 HA GLU 682 20.290 16.645 11.319 666 HB2 GLU 682 2HB GLU 682 20.389 14.935 13.792 667 HB3 GLU 682 1HB GLU 682 21.674 15.991 13.228 668 HG2 GLU 682 2HG GLU 682 20.171 17.915 13.495 669 HG3 GLU 682 1HG GLU 682 18.934 16.841 14.133 670 H LYS 683 H LYS 683 19.513 13.245 11.841 671 HA LYS 683 HA LYS 683 21.984 12.294 10.616 672 HB2 LYS 683 2HB LYS 683 19.394 10.803 11.082 673 HB3 LYS 683 1HB LYS 683 20.958 10.101 10.746 674 HG2 LYS 683 2HG LYS 683 20.192 11.559 13.282 675 HG3 LYS 683 1HG LYS 683 20.212 9.817 13.082 676 HD2 LYS 683 2HD LYS 683 22.210 10.304 14.207 677 HD3 LYS 683 1HD LYS 683 22.704 10.096 12.539 678 HE2 LYS 683 2HE LYS 683 22.833 12.527 12.252 679 HE3 LYS 683 1HE LYS 683 22.207 12.756 13.879 680 HZ1 LYS 683 3HZ LYS 683 24.578 13.020 13.833 681 HZ2 LYS 683 1HZ LYS 683 24.777 11.471 13.166 682 HZ3 LYS 683 2HZ LYS 683 24.165 11.631 14.722 683 H ARG 684 H ARG 684 19.039 13.485 9.651 684 HA ARG 684 HA ARG 684 17.851 13.654 7.815 685 HB2 ARG 684 2HB ARG 684 20.459 13.089 6.427 686 HB3 ARG 684 1HB ARG 684 18.981 13.523 5.582 687 HG2 ARG 684 2HG ARG 684 18.927 15.629 6.905 688 HG3 ARG 684 1HG ARG 684 20.509 15.192 7.558 689 HD2 ARG 684 2HD ARG 684 21.444 15.141 5.344 690 HD3 ARG 684 1HD ARG 684 19.843 15.448 4.667 691 HE ARG 684 HE ARG 684 20.938 17.419 6.503 692 HH12 ARG 684 1HH ARG 684 20.282 18.079 2.537 693 HH21 ARG 684 2HH ARG 684 20.830 19.887 3.966 694 H THR 685 H THR 685 16.457 12.206 8.120 695 HA THR 685 HA THR 685 16.966 9.628 6.906 696 HB THR 685 HB THR 685 16.589 9.457 9.342 697 HG1 THR 685 1HG THR 685 14.205 8.352 8.566 698 HG21 THR 685 2HG THR 685 13.857 10.636 8.788 699 HA PRO 686 HA PRO 686 13.804 10.906 4.010 700 HB2 PRO 686 2HB PRO 686 13.557 8.083 3.276 701 HB3 PRO 686 1HB PRO 686 14.123 9.454 2.313 702 HG2 PRO 686 2HG PRO 686 15.801 7.507 3.175 703 HG3 PRO 686 1HG PRO 686 16.313 9.192 2.991 704 HD2 PRO 686 2HD PRO 686 15.545 7.708 5.470 705 HD3 PRO 686 1HD PRO 686 16.872 8.863 5.183 706 H ARG 687 H ARG 687 11.557 10.803 3.844 707 HA ARG 687 HA ARG 687 10.092 9.865 6.018 708 HB2 ARG 687 2HB ARG 687 9.351 11.730 4.651 709 HB3 ARG 687 1HB ARG 687 9.268 10.703 3.234 710 HG2 ARG 687 2HG ARG 687 7.439 9.494 4.159 711 HG3 ARG 687 1HG ARG 687 7.594 10.373 5.683 712 HD2 ARG 687 2HD ARG 687 6.912 11.700 3.028 713 HD3 ARG 687 1HD ARG 687 5.770 11.144 4.265 714 HE ARG 687 HE ARG 687 6.349 12.820 5.646 715 HH12 ARG 687 1HH ARG 687 8.696 14.694 2.932 716 HH21 ARG 687 2HH ARG 687 7.692 15.945 4.710 717 H ALA 688 H ALA 688 8.783 8.063 6.243 718 HA ALA 688 HA ALA 688 9.012 6.004 4.193 719 HB1 ALA 688 1HB ALA 688 10.744 5.565 5.871 720 HB2 ALA 688 2HB ALA 688 9.493 4.321 5.896 721 HB3 ALA 688 3HB ALA 688 9.517 5.576 7.138 722 H THR 689 H THR 689 7.305 4.698 4.037 723 HA THR 689 HA THR 689 4.968 5.245 5.766 724 HB THR 689 HB THR 689 4.997 4.475 2.844 725 HG1 THR 689 1HG THR 689 5.648 6.628 3.723 726 HG21 THR 689 2HG THR 689 2.741 5.302 4.669 727 H LEU 690 H LEU 690 4.134 3.448 6.776 728 HA LEU 690 HA LEU 690 4.853 0.919 5.632 729 HB2 LEU 690 2HB LEU 690 6.102 1.315 7.661 730 HB3 LEU 690 1HB LEU 690 4.629 1.710 8.523 731 HG LEU 690 HG LEU 690 3.836 -0.592 8.188 732 HD13 LEU 690 1HD LEU 690 5.022 -1.104 6.195 733 HD21 LEU 690 2HD LEU 690 6.526 -0.357 9.465 734 H ILE 691 H ILE 691 3.014 0.038 4.955 735 HA ILE 691 HA ILE 691 0.484 0.754 6.253 736 HB ILE 691 HB ILE 691 0.870 -0.924 3.751 737 HG12 ILE 691 1HG ILE 691 -0.175 1.065 2.548 738 HG23 ILE 691 2HG ILE 691 -1.650 0.322 4.809 739 HD11 ILE 691 1HD ILE 691 2.573 1.537 3.645 740 H THR 692 H THR 692 -0.620 -0.757 7.441 741 HA THR 692 HA THR 692 0.669 -3.377 7.642 742 HB THR 692 HB THR 692 -1.130 -1.987 9.653 743 HG1 THR 692 1HG THR 692 1.016 -1.075 9.050 744 HG21 THR 692 2HG THR 692 0.766 -4.352 9.931 745 H PHE 693 H PHE 693 -0.451 -5.020 6.781 746 HA PHE 693 HA PHE 693 -3.191 -4.617 5.900 747 HB2 PHE 693 2HB PHE 693 -1.125 -6.755 5.337 748 HB3 PHE 693 1HB PHE 693 -2.759 -6.793 4.703 749 HD1 PHE 693 1HD PHE 693 -0.253 -4.007 4.898 750 HD2 PHE 693 2HD PHE 693 -2.573 -6.559 2.433 751 HE1 PHE 693 1HE PHE 693 0.492 -2.756 2.917 752 HE2 PHE 693 2HE PHE 693 -1.842 -5.279 0.430 753 HZ PHE 693 HZ PHE 693 -0.304 -3.394 0.688 754 H LEU 694 H LEU 694 -4.707 -5.230 7.259 755 HA LEU 694 HA LEU 694 -4.240 -7.601 8.914 756 HB2 LEU 694 2HB LEU 694 -6.210 -5.340 9.326 757 HB3 LEU 694 1HB LEU 694 -6.105 -6.764 10.330 758 HG LEU 694 HG LEU 694 -5.149 -5.007 11.524 759 HD13 LEU 694 1HD LEU 694 -2.824 -5.656 11.851 760 HD21 LEU 694 2HD LEU 694 -3.443 -4.345 9.129 761 H CYS 695 H CYS 695 -6.025 -9.054 9.071 762 HA CYS 695 HA CYS 695 -7.680 -9.002 6.650 763 HB2 CYS 695 2HB CYS 695 -6.167 -10.995 7.054 764 HB3 CYS 695 1HB CYS 695 -7.062 -11.312 8.511 765 H ASP 696 H ASP 696 -7.866 -7.795 9.395 766 HA ASP 696 HA ASP 696 -10.321 -8.971 10.435 767 HB2 ASP 696 2HB ASP 696 -8.600 -8.249 12.052 768 HB3 ASP 696 1HB ASP 696 -8.708 -6.607 11.426 769 H ARG 697 H ARG 697 -12.197 -8.319 9.722 770 HA ARG 697 HA ARG 697 -13.790 -7.189 8.727 771 HB2 ARG 697 2HB ARG 697 -13.473 -5.279 10.181 772 HB3 ARG 697 1HB ARG 697 -12.061 -4.753 9.277 773 HG2 ARG 697 2HG ARG 697 -14.042 -3.372 8.833 774 HG3 ARG 697 1HG ARG 697 -13.449 -4.180 7.382 775 HD2 ARG 697 2HD ARG 697 -15.146 -5.923 7.687 776 HD3 ARG 697 1HD ARG 697 -15.779 -5.049 9.088 777 HE ARG 697 HE ARG 697 -15.948 -3.175 7.321 778 HH12 ARG 697 1HH ARG 697 -17.897 -6.341 5.696 779 HH21 ARG 697 2HH ARG 697 -18.437 -4.111 5.030 780 H ASP 698 H ASP 698 -13.964 -7.940 6.797 781 HA ASP 698 HA ASP 698 -11.872 -7.473 4.887 782 HB2 ASP 698 2HB ASP 698 -13.085 -8.939 3.365 783 HB3 ASP 698 1HB ASP 698 -12.943 -9.699 4.938 784 H ALA 699 H ALA 699 -11.771 -5.854 3.607 785 HA ALA 699 HA ALA 699 -14.223 -4.395 2.902 786 HB1 ALA 699 1HB ALA 699 -11.329 -3.509 2.821 787 HB2 ALA 699 2HB ALA 699 -12.515 -3.038 4.037 788 HB3 ALA 699 3HB ALA 699 -12.711 -2.513 2.364 789 H GLY 700 H GLY 700 -12.777 -6.874 1.832 790 HA2 GLY 700 2HA GLY 700 -12.929 -7.793 -0.315 791 HA3 GLY 700 1HA GLY 700 -12.945 -6.159 -0.987 792 H VAL 701 H VAL 701 -11.169 -5.501 -1.909 793 HA VAL 701 HA VAL 701 -8.756 -7.043 -1.807 794 HB VAL 701 HB VAL 701 -9.205 -4.306 -3.059 795 HG13 VAL 701 1HG VAL 701 -7.136 -6.406 -3.646 796 HG21 VAL 701 2HG VAL 701 -9.619 -5.483 -5.165 797 H GLY 702 H GLY 702 -10.044 -4.276 -0.282 798 HA2 GLY 702 2HA GLY 702 -9.155 -3.895 1.964 799 HA3 GLY 702 1HA GLY 702 -7.559 -4.043 1.247 800 H PHE 703 H PHE 703 -9.218 -1.916 2.667 801 HA PHE 703 HA PHE 703 -8.426 0.178 0.793 802 HB2 PHE 703 2HB PHE 703 -10.902 0.125 1.231 803 HB3 PHE 703 1HB PHE 703 -10.564 0.413 2.937 804 HD1 PHE 703 2HD PHE 703 -10.471 1.855 -0.428 805 HD2 PHE 703 1HD PHE 703 -9.932 2.607 3.722 806 HE1 PHE 703 2HE PHE 703 -10.420 4.272 -0.871 807 HE2 PHE 703 1HE PHE 703 -9.876 5.023 3.277 808 HZ PHE 703 HZ PHE 703 -10.116 5.847 0.938 809 HA PRO 704 HA PRO 704 -5.572 0.953 4.152 810 HB2 PRO 704 2HB PRO 704 -4.201 2.956 2.958 811 HB3 PRO 704 1HB PRO 704 -3.944 1.258 2.548 812 HG2 PRO 704 2HG PRO 704 -5.464 3.354 1.071 813 HG3 PRO 704 1HG PRO 704 -4.486 2.022 0.439 814 HD2 PRO 704 2HD PRO 704 -7.242 2.023 0.579 815 HD3 PRO 704 1HD PRO 704 -6.238 0.563 0.496 816 H GLU 705 H GLU 705 -5.768 2.259 5.856 817 HA GLU 705 HA GLU 705 -7.031 4.867 5.482 818 HB2 GLU 705 2HB GLU 705 -7.462 2.816 7.590 819 HB3 GLU 705 1HB GLU 705 -7.989 4.488 7.817 820 HG2 GLU 705 2HG GLU 705 -9.339 4.180 5.678 821 HG3 GLU 705 1HG GLU 705 -8.933 2.471 5.782 822 H TYR 706 H TYR 706 -6.285 6.529 6.684 823 HA TYR 706 HA TYR 706 -3.552 6.377 7.615 824 HB2 TYR 706 2HB TYR 706 -4.364 8.326 6.398 825 HB3 TYR 706 1HB TYR 706 -5.605 8.589 7.612 826 HD1 TYR 706 1HD TYR 706 -1.923 8.443 7.172 827 HD2 TYR 706 2HD TYR 706 -5.178 9.969 9.423 828 HE1 TYR 706 1HE TYR 706 -0.388 9.877 8.392 829 HE2 TYR 706 2HE TYR 706 -3.655 11.424 10.656 830 HH TYR 706 HH TYR 706 -1.129 11.364 11.251 831 H GLN 707 H GLN 707 -2.940 5.889 9.642 832 HA GLN 707 HA GLN 707 -5.043 5.711 11.593 833 HB2 GLN 707 2HB GLN 707 -2.126 4.973 11.943 834 HB3 GLN 707 1HB GLN 707 -3.387 4.740 13.146 835 HG2 GLN 707 2HG GLN 707 -4.504 3.426 11.133 836 HG3 GLN 707 1HG GLN 707 -2.798 3.291 10.669 837 HE21 GLN 707 2HE GLN 707 -1.961 1.052 13.185 838 H GLU 708 H GLU 708 -1.794 7.101 11.957 839 HA GLU 708 HA GLU 708 -2.813 9.558 12.994 840 HB2 GLU 708 2HB GLU 708 -3.413 8.176 14.881 841 HB3 GLU 708 1HB GLU 708 -1.800 7.489 14.934 842 HG2 GLU 708 2HG GLU 708 -0.891 9.651 15.565 843 HG3 GLU 708 1HG GLU 708 -2.507 10.351 15.511 844 H GLU 709 H GLU 709 -0.136 7.311 13.467 845 HA GLU 709 HA GLU 709 1.896 9.136 13.876 846 HB2 GLU 709 2HB GLU 709 2.027 6.380 12.688 847 HB3 GLU 709 1HB GLU 709 3.416 7.291 13.255 848 HG2 GLU 709 2HG GLU 709 2.493 7.330 15.497 849 HG3 GLU 709 1HG GLU 709 1.080 6.442 14.933 850 H ASP 710 H ASP 710 2.627 10.666 12.637 851 HA ASP 710 HA ASP 710 3.203 10.122 9.799 852 HB2 ASP 710 2HB ASP 710 2.381 12.312 9.128 853 HB3 ASP 710 1HB ASP 710 1.086 11.463 9.954 854 H ASN 711 H ASN 711 4.572 10.433 12.530 855 HA ASN 711 HA ASN 711 6.023 12.889 12.357 856 HB2 ASN 711 2HB ASN 711 6.623 10.510 14.106 857 HB3 ASN 711 1HB ASN 711 7.226 12.149 14.325 858 HD21 ASN 711 2HD ASN 711 4.262 13.323 15.784 859 H SER 712 H SER 712 6.660 9.585 11.481 860 HA SER 712 HA SER 712 8.753 10.463 9.762 861 HB2 SER 712 2HB SER 712 10.523 9.043 10.700 862 HB3 SER 712 1HB SER 712 10.057 10.388 11.744 863 HG SER 712 HG SER 712 8.988 9.012 13.080 864 H THR 713 H THR 713 7.099 7.753 11.232 865 HA THR 713 HA THR 713 7.163 6.488 8.614 866 HB THR 713 HB THR 713 7.166 5.083 11.308 867 HG1 THR 713 1HG THR 713 9.084 6.020 9.627 868 HG21 THR 713 2HG THR 713 7.483 3.040 9.965 869 H TYR 714 H TYR 714 5.303 6.822 7.791 870 HA TYR 714 HA TYR 714 2.943 7.380 9.324 871 HB2 TYR 714 2HB TYR 714 3.373 7.036 6.330 872 HB3 TYR 714 1HB TYR 714 1.867 7.561 7.067 873 HD1 TYR 714 1HD TYR 714 5.444 8.591 7.582 874 HD2 TYR 714 2HD TYR 714 1.504 9.827 6.519 875 HE1 TYR 714 1HE TYR 714 6.217 10.878 7.423 876 HE2 TYR 714 2HE TYR 714 2.280 12.142 6.372 877 HH TYR 714 HH TYR 714 4.146 13.504 7.317 878 H ASN 715 H ASN 715 1.599 5.854 10.063 879 HA ASN 715 HA ASN 715 1.827 3.169 8.838 880 HB2 ASN 715 2HB ASN 715 2.199 3.441 11.416 881 HB3 ASN 715 1HB ASN 715 0.476 3.704 11.458 882 HD21 ASN 715 2HD ASN 715 1.874 -0.049 10.871 883 H PHE 716 H PHE 716 0.314 2.414 7.738 884 HA PHE 716 HA PHE 716 -2.314 3.675 7.934 885 HB2 PHE 716 2HB PHE 716 -0.939 2.494 5.539 886 HB3 PHE 716 1HB PHE 716 -2.654 2.889 5.555 887 HD1 PHE 716 2HD PHE 716 0.752 4.286 5.682 888 HD2 PHE 716 1HD PHE 716 -3.403 5.138 5.442 889 HE1 PHE 716 2HE PHE 716 1.258 6.626 5.088 890 HE2 PHE 716 1HE PHE 716 -2.898 7.461 4.848 891 HZ PHE 716 HZ PHE 716 -0.564 8.204 4.673 892 H ARG 717 H ARG 717 -4.059 2.511 7.988 893 HA ARG 717 HA ARG 717 -3.758 -0.250 8.914 894 HB2 ARG 717 2HB ARG 717 -4.864 1.635 10.239 895 HB3 ARG 717 1HB ARG 717 -6.147 1.594 9.048 896 HG2 ARG 717 2HG ARG 717 -6.863 0.390 10.961 897 HG3 ARG 717 1HG ARG 717 -6.531 -0.789 9.691 898 HD2 ARG 717 2HD ARG 717 -4.393 -1.324 10.694 899 HD3 ARG 717 1HD ARG 717 -4.599 -0.050 11.891 900 HE ARG 717 HE ARG 717 -6.774 -1.778 12.085 901 HH12 ARG 717 1HH ARG 717 -3.350 -3.039 13.890 902 HH21 ARG 717 2HH ARG 717 -5.434 -3.954 14.531 903 H TRP 718 H TRP 718 -3.935 -1.554 7.150 904 HA TRP 718 HA TRP 718 -5.916 -0.954 5.042 905 HB2 TRP 718 2HB TRP 718 -3.499 -1.125 4.392 906 HB3 TRP 718 1HB TRP 718 -3.465 -2.764 4.990 907 HD1 TRP 718 HD TRP 718 -5.754 -4.192 3.569 908 HE1 TRP 718 1HE TRP 718 -5.869 -4.401 0.982 909 HE3 TRP 718 3HE TRP 718 -2.658 -0.255 2.167 910 HZ2 TRP 718 2HZ TRP 718 -4.844 -3.161 -1.249 911 HZ3 TRP 718 3HZ TRP 718 -2.317 0.106 -0.193 912 HH2 TRP 718 HH TRP 718 -3.369 -1.306 -1.876 913 H TYR 719 H TYR 719 -7.756 -2.086 5.372 914 HA TYR 719 HA TYR 719 -7.600 -4.710 6.670 915 HB2 TYR 719 2HB TYR 719 -9.983 -2.929 6.125 916 HB3 TYR 719 1HB TYR 719 -10.088 -4.521 6.863 917 HD1 TYR 719 2HD TYR 719 -7.983 -4.600 8.769 918 HD2 TYR 719 1HD TYR 719 -10.456 -1.316 7.725 919 HE1 TYR 719 2HE TYR 719 -7.637 -3.658 10.997 920 HE2 TYR 719 1HE TYR 719 -10.117 -0.349 9.964 921 HH TYR 719 HH TYR 719 -9.532 -1.201 12.226 922 H THR 720 H THR 720 -7.397 -6.395 5.387 923 HA THR 720 HA THR 720 -8.920 -6.402 2.902 924 HB THR 720 HB THR 720 -6.757 -5.654 2.171 925 HG1 THR 720 1HG THR 720 -7.039 -6.876 0.547 926 HG21 THR 720 2HG THR 720 -5.374 -6.485 4.002 927 H SER 721 H SER 721 -9.594 -8.329 2.113 928 HA SER 721 HA SER 721 -9.789 -10.511 3.915 929 HB2 SER 721 2HB SER 721 -11.523 -9.930 2.188 930 HB3 SER 721 1HB SER 721 -10.380 -10.387 0.930 931 HG SER 721 HG SER 721 -11.870 -11.938 2.664 932 H TYR 722 H TYR 722 -7.547 -9.499 1.478 933 HA TYR 722 HA TYR 722 -6.380 -12.006 0.847 934 HB2 TYR 722 2HB TYR 722 -5.436 -9.193 0.443 935 HB3 TYR 722 1HB TYR 722 -4.485 -10.587 -0.040 936 HD1 TYR 722 1HD TYR 722 -7.502 -8.608 -0.720 937 HD2 TYR 722 2HD TYR 722 -5.113 -11.906 -1.934 938 HE1 TYR 722 1HE TYR 722 -8.667 -8.664 -2.897 939 HE2 TYR 722 2HE TYR 722 -6.264 -11.957 -4.099 940 HH TYR 722 HH TYR 722 -8.380 -11.251 -5.029 941 H ALA 723 H ALA 723 -6.111 -10.163 3.665 942 HA ALA 723 HA ALA 723 -3.366 -10.898 4.120 943 HB1 ALA 723 1HB ALA 723 -5.371 -9.654 6.004 944 HB2 ALA 723 2HB ALA 723 -4.154 -8.818 5.064 945 HB3 ALA 723 3HB ALA 723 -3.662 -9.893 6.375 946 H CYS 724 H CYS 724 -6.166 -12.565 4.192 947 HA CYS 724 HA CYS 724 -5.136 -14.523 6.089 948 HB2 CYS 724 2HB CYS 724 -7.877 -14.222 4.837 949 HB3 CYS 724 1HB CYS 724 -7.394 -15.647 5.746 950 HA PRO 725 HA PRO 725 -4.010 -16.841 2.402 951 HB2 PRO 725 2HB PRO 725 -3.867 -19.298 3.939 952 HB3 PRO 725 1HB PRO 725 -2.541 -18.323 3.312 953 HG2 PRO 725 2HG PRO 725 -3.078 -18.548 5.979 954 HG3 PRO 725 1HG PRO 725 -2.319 -17.128 5.255 955 HD2 PRO 725 2HD PRO 725 -5.167 -17.545 6.056 956 HD3 PRO 725 1HD PRO 725 -4.118 -16.122 6.274
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