NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
5329 | 1h5p | 5558 | cing | 1-original | 1 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 594 H1 MET 594 14.381 -6.700 2.250 2 H2 MET 594 H2 MET 594 16.046 -6.833 1.981 3 H3 MET 594 H3 MET 594 15.007 -8.070 1.479 4 HA MET 594 HA MET 594 15.683 -9.041 3.372 5 1HB MET 594 1HB MET 594 16.624 -6.344 3.835 6 2HB MET 594 2HB MET 594 15.988 -7.038 5.319 7 1HG MET 594 1HG MET 594 17.522 -8.822 5.262 8 2HG MET 594 2HG MET 594 17.976 -8.478 3.595 9 1HE MET 594 1HE MET 594 19.827 -7.627 2.969 10 2HE MET 594 2HE MET 594 20.913 -6.477 3.749 11 3HE MET 594 3HE MET 594 20.916 -8.169 4.247 12 H ASP 595 H ASP 595 13.369 -6.468 3.289 13 HA ASP 595 HA ASP 595 11.316 -6.180 4.215 14 1HB ASP 595 1HB ASP 595 11.390 -9.112 4.927 15 2HB ASP 595 2HB ASP 595 9.975 -8.110 4.618 16 H GLU 596 H GLU 596 9.986 -6.783 6.351 17 HA GLU 596 HA GLU 596 11.866 -6.694 8.615 18 1HB GLU 596 1HB GLU 596 9.673 -4.791 7.914 19 2HB GLU 596 2HB GLU 596 10.000 -5.111 9.614 20 1HG GLU 596 1HG GLU 596 12.472 -4.618 8.297 21 2HG GLU 596 2HG GLU 596 11.335 -3.344 7.857 22 H ASN 597 H ASN 597 8.454 -6.206 9.027 23 HA ASN 597 HA ASN 597 8.231 -8.918 10.132 24 1HB ASN 597 1HB ASN 597 6.563 -7.926 11.702 25 2HB ASN 597 2HB ASN 597 8.194 -7.302 11.911 26 2HD2 ASN 597 2HD2 ASN 597 6.435 -5.802 13.030 27 1HD2 ASN 597 1HD2 ASN 597 6.047 -4.395 12.105 28 H ILE 598 H ILE 598 7.038 -6.713 7.843 29 HA ILE 598 HA ILE 598 4.448 -8.056 7.637 30 HB ILE 598 HB ILE 598 5.401 -5.766 5.930 31 1HG1 ILE 598 1HG1 ILE 598 5.601 -5.031 8.229 32 2HG1 ILE 598 2HG1 ILE 598 4.175 -4.286 7.514 33 1HG2 ILE 598 1HG2 ILE 598 3.247 -7.330 5.599 34 2HG2 ILE 598 2HG2 ILE 598 2.570 -6.113 6.681 35 3HG2 ILE 598 3HG2 ILE 598 3.289 -5.626 5.146 36 1HD1 ILE 598 1HD1 ILE 598 2.943 -6.327 8.584 37 2HD1 ILE 598 2HD1 ILE 598 4.370 -6.377 9.620 38 3HD1 ILE 598 3HD1 ILE 598 3.374 -4.922 9.558 39 H ASN 599 H ASN 599 4.914 -10.026 6.751 40 HA ASN 599 HA ASN 599 6.521 -10.229 4.354 41 1HB ASN 599 1HB ASN 599 6.283 -11.940 6.362 42 2HB ASN 599 2HB ASN 599 4.923 -12.524 5.407 43 2HD2 ASN 599 2HD2 ASN 599 7.519 -13.759 6.074 44 1HD2 ASN 599 1HD2 ASN 599 8.227 -14.185 4.557 45 H PHE 600 H PHE 600 5.750 -10.117 2.364 46 HA PHE 600 HA PHE 600 2.882 -9.961 1.957 47 1HB PHE 600 1HB PHE 600 3.403 -9.080 -0.214 48 2HB PHE 600 2HB PHE 600 4.471 -8.312 0.957 49 HD1 PHE 600 HD1 PHE 600 4.263 -10.286 -2.033 50 HD2 PHE 600 HD2 PHE 600 6.842 -9.113 1.142 51 HE1 PHE 600 HE1 PHE 600 6.213 -10.965 -3.372 52 HE2 PHE 600 HE2 PHE 600 8.797 -9.789 -0.191 53 HZ PHE 600 HZ PHE 600 8.483 -10.716 -2.450 54 H LYS 601 H LYS 601 5.032 -12.423 2.077 55 HA LYS 601 HA LYS 601 4.333 -13.927 -0.240 56 1HB LYS 601 1HB LYS 601 6.031 -14.249 2.082 57 2HB LYS 601 2HB LYS 601 5.172 -15.736 1.703 58 1HG LYS 601 1HG LYS 601 6.773 -14.162 -0.297 59 2HG LYS 601 2HG LYS 601 7.397 -15.529 0.625 60 1HD LYS 601 1HD LYS 601 6.579 -16.906 -0.914 61 2HD LYS 601 2HD LYS 601 4.952 -16.356 -0.507 62 1HE LYS 601 1HE LYS 601 4.798 -15.486 -2.546 63 2HE LYS 601 2HE LYS 601 6.062 -14.340 -2.102 64 1HZ LYS 601 1HZ LYS 601 6.641 -17.046 -3.165 65 2HZ LYS 601 2HZ LYS 601 6.495 -15.680 -4.153 66 3HZ LYS 601 3HZ LYS 601 7.716 -15.753 -2.984 67 H GLN 602 H GLN 602 2.464 -13.052 2.306 68 HA GLN 602 HA GLN 602 1.078 -15.588 2.634 69 1HB GLN 602 1HB GLN 602 0.072 -13.015 3.780 70 2HB GLN 602 2HB GLN 602 -0.012 -14.640 4.446 71 1HG GLN 602 1HG GLN 602 2.657 -13.378 4.131 72 2HG GLN 602 2HG GLN 602 1.609 -12.825 5.435 73 2HE2 GLN 602 2HE2 GLN 602 3.674 -15.299 4.301 74 1HE2 GLN 602 1HE2 GLN 602 3.553 -16.345 5.670 75 H SER 603 H SER 603 1.089 -13.420 0.263 76 HA SER 603 HA SER 603 -0.300 -12.984 -1.481 77 1HB SER 603 1HB SER 603 -1.946 -15.080 -0.084 78 2HB SER 603 2HB SER 603 -2.555 -14.239 -1.510 79 HG SER 603 HG SER 603 -1.343 -16.293 -1.817 80 H GLU 604 H GLU 604 -1.229 -12.434 1.752 81 HA GLU 604 HA GLU 604 -3.005 -10.270 0.862 82 1HB GLU 604 1HB GLU 604 -3.479 -12.277 3.052 83 2HB GLU 604 2HB GLU 604 -4.274 -10.709 3.059 84 1HG GLU 604 1HG GLU 604 -5.056 -11.312 0.696 85 2HG GLU 604 2HG GLU 604 -4.578 -12.958 1.106 86 H LEU 605 H LEU 605 -2.173 -8.384 1.437 87 HA LEU 605 HA LEU 605 -0.454 -8.261 3.818 88 1HB LEU 605 1HB LEU 605 0.120 -7.481 1.280 89 2HB LEU 605 2HB LEU 605 -0.484 -5.978 1.952 90 HG LEU 605 HG LEU 605 1.209 -6.038 3.700 91 1HD1 LEU 605 1HD1 LEU 605 1.381 -8.792 2.945 92 2HD1 LEU 605 2HD1 LEU 605 2.969 -8.039 2.811 93 3HD1 LEU 605 3HD1 LEU 605 2.088 -7.972 4.337 94 1HD2 LEU 605 1HD2 LEU 605 1.624 -5.393 1.124 95 2HD2 LEU 605 2HD2 LEU 605 2.843 -5.205 2.384 96 3HD2 LEU 605 3HD2 LEU 605 2.871 -6.622 1.334 97 HA PRO 606 HA PRO 606 -3.759 -5.926 5.706 98 1HB PRO 606 1HB PRO 606 -2.427 -5.188 7.951 99 2HB PRO 606 2HB PRO 606 -3.064 -6.819 7.708 100 1HG PRO 606 1HG PRO 606 -0.273 -5.797 7.322 101 2HG PRO 606 2HG PRO 606 -0.817 -7.299 8.095 102 1HD PRO 606 1HD PRO 606 0.124 -7.236 5.563 103 2HD PRO 606 2HD PRO 606 -1.145 -8.367 6.076 104 H VAL 607 H VAL 607 -4.344 -3.928 5.158 105 HA VAL 607 HA VAL 607 -2.289 -1.816 5.109 106 HB VAL 607 HB VAL 607 -4.041 -0.724 3.467 107 1HG1 VAL 607 1HG1 VAL 607 -1.703 -2.400 3.110 108 2HG1 VAL 607 2HG1 VAL 607 -2.763 -2.424 1.700 109 3HG1 VAL 607 3HG1 VAL 607 -2.145 -0.891 2.313 110 1HG2 VAL 607 1HG2 VAL 607 -4.917 -3.503 3.654 111 2HG2 VAL 607 2HG2 VAL 607 -5.763 -2.086 3.034 112 3HG2 VAL 607 3HG2 VAL 607 -4.632 -2.959 2.000 113 H THR 608 H THR 608 -3.018 0.330 5.654 114 HA THR 608 HA THR 608 -5.590 0.525 7.017 115 HB THR 608 HB THR 608 -4.212 1.776 8.891 116 HG1 THR 608 HG1 THR 608 -2.389 -0.119 7.806 117 1HG2 THR 608 1HG2 THR 608 -4.601 -1.209 8.706 118 2HG2 THR 608 2HG2 THR 608 -4.175 -0.361 10.192 119 3HG2 THR 608 3HG2 THR 608 -5.711 -0.025 9.394 120 H CYS 609 H CYS 609 -6.400 2.157 5.805 121 HA CYS 609 HA CYS 609 -4.722 4.540 5.399 122 1HB CYS 609 1HB CYS 609 -5.613 3.665 3.341 123 2HB CYS 609 2HB CYS 609 -7.238 3.607 4.014 124 HG CYS 609 HG CYS 609 -5.510 6.510 3.472 125 H GLY 610 H GLY 610 -4.958 5.750 7.215 126 1HA GLY 610 1HA GLY 610 -7.221 7.328 7.592 127 2HA GLY 610 2HA GLY 610 -5.958 7.090 8.792 128 H GLU 611 H GLU 611 -6.135 4.595 9.596 129 HA GLU 611 HA GLU 611 -7.216 3.273 11.102 130 1HB GLU 611 1HB GLU 611 -8.083 5.210 12.199 131 2HB GLU 611 2HB GLU 611 -9.290 5.463 10.950 132 1HG GLU 611 1HG GLU 611 -10.728 4.050 11.898 133 2HG GLU 611 2HG GLU 611 -9.474 2.859 12.245 134 H VAL 612 H VAL 612 -8.208 3.913 8.026 135 HA VAL 612 HA VAL 612 -10.438 2.044 8.015 136 HB VAL 612 HB VAL 612 -9.183 3.578 5.733 137 1HG1 VAL 612 1HG1 VAL 612 -10.885 1.332 5.685 138 2HG1 VAL 612 2HG1 VAL 612 -11.876 2.729 5.258 139 3HG1 VAL 612 3HG1 VAL 612 -10.417 2.367 4.335 140 1HG2 VAL 612 1HG2 VAL 612 -10.640 4.619 7.767 141 2HG2 VAL 612 2HG2 VAL 612 -10.610 5.275 6.130 142 3HG2 VAL 612 3HG2 VAL 612 -11.917 4.200 6.624 143 H LYS 613 H LYS 613 -9.081 0.286 8.747 144 HA LYS 613 HA LYS 613 -6.901 -0.761 7.365 145 1HB LYS 613 1HB LYS 613 -8.036 -1.415 9.653 146 2HB LYS 613 2HB LYS 613 -8.868 -2.602 8.658 147 1HG LYS 613 1HG LYS 613 -6.692 -3.471 7.911 148 2HG LYS 613 2HG LYS 613 -5.889 -2.314 8.973 149 1HD LYS 613 1HD LYS 613 -7.941 -3.936 10.290 150 2HD LYS 613 2HD LYS 613 -6.572 -4.861 9.669 151 1HE LYS 613 1HE LYS 613 -5.633 -2.480 10.960 152 2HE LYS 613 2HE LYS 613 -6.711 -3.358 12.044 153 1HZ LYS 613 1HZ LYS 613 -4.531 -4.733 10.601 154 2HZ LYS 613 2HZ LYS 613 -4.255 -3.958 12.081 155 3HZ LYS 613 3HZ LYS 613 -5.360 -5.235 11.986 156 H GLY 614 H GLY 614 -6.878 -2.887 6.175 157 1HA GLY 614 1HA GLY 614 -8.185 -2.694 3.747 158 2HA GLY 614 2HA GLY 614 -9.175 -3.748 4.743 159 H THR 615 H THR 615 -8.551 -5.173 2.852 160 HA THR 615 HA THR 615 -6.094 -6.644 3.543 161 HB THR 615 HB THR 615 -7.772 -8.240 1.894 162 HG1 THR 615 HG1 THR 615 -9.176 -7.481 4.225 163 1HG2 THR 615 1HG2 THR 615 -6.400 -8.355 4.436 164 2HG2 THR 615 2HG2 THR 615 -7.954 -9.183 4.512 165 3HG2 THR 615 3HG2 THR 615 -6.763 -9.651 3.297 166 H LEU 616 H LEU 616 -4.494 -6.406 2.142 167 HA LEU 616 HA LEU 616 -5.045 -5.528 -0.577 168 1HB LEU 616 1HB LEU 616 -3.314 -4.392 0.736 169 2HB LEU 616 2HB LEU 616 -2.428 -5.899 0.878 170 HG LEU 616 HG LEU 616 -2.962 -5.213 -1.896 171 1HD1 LEU 616 1HD1 LEU 616 -2.796 -2.935 -0.776 172 2HD1 LEU 616 2HD1 LEU 616 -1.114 -3.348 -0.442 173 3HD1 LEU 616 3HD1 LEU 616 -1.686 -3.258 -2.107 174 1HD2 LEU 616 1HD2 LEU 616 -1.361 -6.912 -1.053 175 2HD2 LEU 616 2HD2 LEU 616 -0.629 -5.725 -2.132 176 3HD2 LEU 616 3HD2 LEU 616 -0.381 -5.603 -0.391 177 H TYR 617 H TYR 617 -4.904 -6.758 -2.335 178 HA TYR 617 HA TYR 617 -4.150 -9.567 -2.011 179 1HB TYR 617 1HB TYR 617 -5.819 -8.057 -3.999 180 2HB TYR 617 2HB TYR 617 -5.163 -9.635 -4.422 181 HD1 TYR 617 HD1 TYR 617 -6.878 -8.110 -1.460 182 HD2 TYR 617 HD2 TYR 617 -6.643 -11.377 -4.176 183 HE1 TYR 617 HE1 TYR 617 -8.765 -9.191 -0.313 184 HE2 TYR 617 HE2 TYR 617 -8.530 -12.467 -3.036 185 HH TYR 617 HH TYR 617 -10.022 -12.332 -1.401 186 H LYS 618 H LYS 618 -2.307 -10.361 -2.815 187 HA LYS 618 HA LYS 618 -0.373 -8.675 -4.013 188 1HB LYS 618 1HB LYS 618 -0.451 -11.687 -3.788 189 2HB LYS 618 2HB LYS 618 0.953 -10.754 -4.284 190 1HG LYS 618 1HG LYS 618 -0.413 -10.450 -1.621 191 2HG LYS 618 2HG LYS 618 0.983 -11.488 -1.910 192 1HD LYS 618 1HD LYS 618 2.414 -9.754 -1.950 193 2HD LYS 618 2HD LYS 618 1.304 -8.739 -2.872 194 1HE LYS 618 1HE LYS 618 1.911 -8.058 -0.453 195 2HE LYS 618 2HE LYS 618 0.229 -7.964 -0.973 196 1HZ LYS 618 1HZ LYS 618 1.120 -10.465 0.244 197 2HZ LYS 618 2HZ LYS 618 0.939 -9.130 1.268 198 3HZ LYS 618 3HZ LYS 618 -0.374 -9.680 0.355 199 H GLU 619 H GLU 619 -2.711 -10.940 -5.310 200 HA GLU 619 HA GLU 619 -1.697 -11.350 -7.857 201 1HB GLU 619 1HB GLU 619 -3.966 -11.870 -8.537 202 2HB GLU 619 2HB GLU 619 -3.665 -12.516 -6.929 203 1HG GLU 619 1HG GLU 619 -4.779 -10.433 -6.028 204 2HG GLU 619 2HG GLU 619 -5.287 -10.103 -7.683 205 H ARG 620 H ARG 620 -2.963 -8.477 -6.479 206 HA ARG 620 HA ARG 620 -2.968 -7.195 -9.132 207 1HB ARG 620 1HB ARG 620 -4.767 -6.814 -6.768 208 2HB ARG 620 2HB ARG 620 -4.479 -5.469 -7.862 209 1HG ARG 620 1HG ARG 620 -5.475 -6.571 -9.667 210 2HG ARG 620 2HG ARG 620 -5.380 -8.143 -8.871 211 1HD ARG 620 1HD ARG 620 -7.331 -7.842 -7.831 212 2HD ARG 620 2HD ARG 620 -6.896 -6.211 -7.323 213 HE ARG 620 HE ARG 620 -8.004 -5.364 -9.159 214 1HH1 ARG 620 1HH1 ARG 620 -7.723 -8.828 -9.442 215 2HH1 ARG 620 2HH1 ARG 620 -8.832 -8.937 -10.767 216 1HH2 ARG 620 1HH2 ARG 620 -9.464 -5.503 -10.903 217 2HH2 ARG 620 2HH2 ARG 620 -9.821 -7.049 -11.598 218 H PHE 621 H PHE 621 -1.751 -7.210 -5.923 219 HA PHE 621 HA PHE 621 -0.915 -4.608 -5.511 220 1HB PHE 621 1HB PHE 621 -0.727 -6.346 -3.809 221 2HB PHE 621 2HB PHE 621 0.494 -7.179 -4.763 222 HD1 PHE 621 HD1 PHE 621 -0.082 -3.736 -3.420 223 HD2 PHE 621 HD2 PHE 621 2.644 -6.944 -4.043 224 HE1 PHE 621 HE1 PHE 621 1.678 -2.459 -2.268 225 HE2 PHE 621 HE2 PHE 621 4.409 -5.673 -2.893 226 HZ PHE 621 HZ PHE 621 3.927 -3.429 -2.004 227 H LYS 622 H LYS 622 0.277 -6.933 -7.768 228 HA LYS 622 HA LYS 622 2.883 -5.998 -8.176 229 1HB LYS 622 1HB LYS 622 2.576 -6.989 -10.500 230 2HB LYS 622 2HB LYS 622 2.319 -8.076 -9.142 231 1HG LYS 622 1HG LYS 622 -0.074 -7.862 -9.372 232 2HG LYS 622 2HG LYS 622 0.129 -6.671 -10.658 233 1HD LYS 622 1HD LYS 622 -0.104 -8.468 -12.003 234 2HD LYS 622 2HD LYS 622 1.605 -8.711 -11.639 235 1HE LYS 622 1HE LYS 622 1.184 -10.426 -10.159 236 2HE LYS 622 2HE LYS 622 -0.454 -9.870 -9.819 237 1HZ LYS 622 1HZ LYS 622 0.273 -10.893 -12.491 238 2HZ LYS 622 2HZ LYS 622 -0.148 -11.955 -11.243 239 3HZ LYS 622 3HZ LYS 622 -1.256 -10.793 -11.773 240 H GLN 623 H GLN 623 -0.078 -4.490 -8.832 241 HA GLN 623 HA GLN 623 1.217 -2.615 -10.700 242 1HB GLN 623 1HB GLN 623 -1.736 -2.626 -10.505 243 2HB GLN 623 2HB GLN 623 -0.700 -2.430 -11.912 244 1HG GLN 623 1HG GLN 623 -0.505 -5.100 -10.838 245 2HG GLN 623 2HG GLN 623 -2.176 -4.673 -11.210 246 2HE2 GLN 623 2HE2 GLN 623 -2.109 -6.263 -12.863 247 1HE2 GLN 623 1HE2 GLN 623 -1.360 -5.924 -14.382 248 H GLY 624 H GLY 624 -0.153 -3.008 -7.618 249 1HA GLY 624 1HA GLY 624 0.509 -0.433 -6.746 250 2HA GLY 624 2HA GLY 624 -0.540 -1.551 -5.891 251 H THR 625 H THR 625 -0.381 1.441 -7.231 252 HA THR 625 HA THR 625 -3.132 1.971 -6.853 253 HB THR 625 HB THR 625 -1.278 3.642 -6.579 254 HG1 THR 625 HG1 THR 625 -2.791 5.116 -6.794 255 1HG2 THR 625 1HG2 THR 625 -0.106 3.148 -8.699 256 2HG2 THR 625 2HG2 THR 625 -1.467 3.830 -9.588 257 3HG2 THR 625 3HG2 THR 625 -0.501 4.858 -8.532 258 H SER 626 H SER 626 -1.966 0.181 -9.247 259 HA SER 626 HA SER 626 -3.674 1.385 -11.316 260 1HB SER 626 1HB SER 626 -1.161 0.810 -11.717 261 2HB SER 626 2HB SER 626 -1.745 -0.849 -11.863 262 HG SER 626 HG SER 626 -2.067 -0.239 -13.861 263 H LYS 627 H LYS 627 -3.904 -0.825 -8.945 264 HA LYS 627 HA LYS 627 -6.117 -2.166 -10.219 265 1HB LYS 627 1HB LYS 627 -3.563 -3.584 -9.579 266 2HB LYS 627 2HB LYS 627 -5.086 -4.435 -9.358 267 1HG LYS 627 1HG LYS 627 -4.681 -3.053 -11.942 268 2HG LYS 627 2HG LYS 627 -3.714 -4.496 -11.635 269 1HD LYS 627 1HD LYS 627 -5.550 -5.879 -11.579 270 2HD LYS 627 2HD LYS 627 -6.644 -4.582 -11.094 271 1HE LYS 627 1HE LYS 627 -7.264 -4.940 -13.291 272 2HE LYS 627 2HE LYS 627 -6.117 -3.611 -13.444 273 1HZ LYS 627 1HZ LYS 627 -4.669 -5.985 -13.580 274 2HZ LYS 627 2HZ LYS 627 -6.001 -6.167 -14.607 275 3HZ LYS 627 3HZ LYS 627 -4.943 -4.864 -14.818 276 H LYS 628 H LYS 628 -7.692 -2.222 -8.773 277 HA LYS 628 HA LYS 628 -7.280 -1.603 -6.034 278 1HB LYS 628 1HB LYS 628 -9.784 -2.828 -7.176 279 2HB LYS 628 2HB LYS 628 -9.636 -1.742 -5.801 280 1HG LYS 628 1HG LYS 628 -8.645 -0.148 -7.696 281 2HG LYS 628 2HG LYS 628 -9.700 -1.148 -8.694 282 1HD LYS 628 1HD LYS 628 -11.038 -0.359 -6.267 283 2HD LYS 628 2HD LYS 628 -10.427 1.054 -7.130 284 1HE LYS 628 1HE LYS 628 -11.620 0.475 -9.099 285 2HE LYS 628 2HE LYS 628 -12.015 -1.122 -8.468 286 1HZ LYS 628 1HZ LYS 628 -12.970 1.394 -7.225 287 2HZ LYS 628 2HZ LYS 628 -13.856 0.541 -8.385 288 3HZ LYS 628 3HZ LYS 628 -13.492 -0.180 -6.897 289 H CYS 629 H CYS 629 -6.300 -2.994 -4.693 290 HA CYS 629 HA CYS 629 -7.204 -5.799 -4.733 291 1HB CYS 629 1HB CYS 629 -4.867 -6.266 -3.749 292 2HB CYS 629 2HB CYS 629 -4.990 -5.935 -5.473 293 HG CYS 629 HG CYS 629 -2.701 -4.667 -4.668 294 H ILE 630 H ILE 630 -7.493 -3.060 -3.036 295 HA ILE 630 HA ILE 630 -7.171 -4.304 -0.400 296 HB ILE 630 HB ILE 630 -7.686 -1.428 -1.166 297 1HG1 ILE 630 1HG1 ILE 630 -5.322 -2.107 0.427 298 2HG1 ILE 630 2HG1 ILE 630 -5.327 -2.859 -1.165 299 1HG2 ILE 630 1HG2 ILE 630 -8.100 -2.822 1.337 300 2HG2 ILE 630 2HG2 ILE 630 -6.933 -1.511 1.501 301 3HG2 ILE 630 3HG2 ILE 630 -8.547 -1.181 0.872 302 1HD1 ILE 630 1HD1 ILE 630 -5.833 -0.523 -2.062 303 2HD1 ILE 630 2HD1 ILE 630 -5.347 0.050 -0.466 304 3HD1 ILE 630 3HD1 ILE 630 -4.204 -0.845 -1.467 305 H GLN 631 H GLN 631 -8.886 -5.397 0.289 306 HA GLN 631 HA GLN 631 -11.567 -4.600 -0.529 307 1HB GLN 631 1HB GLN 631 -10.829 -6.988 -0.635 308 2HB GLN 631 2HB GLN 631 -10.717 -6.985 1.121 309 1HG GLN 631 1HG GLN 631 -13.112 -6.471 1.258 310 2HG GLN 631 2HG GLN 631 -13.211 -6.529 -0.501 311 2HE2 GLN 631 2HE2 GLN 631 -14.623 -8.230 -0.594 312 1HE2 GLN 631 1HE2 GLN 631 -14.201 -9.840 -0.131 313 H SER 632 H SER 632 -12.783 -3.334 0.698 314 HA SER 632 HA SER 632 -12.054 -2.884 3.484 315 1HB SER 632 1HB SER 632 -13.859 -1.086 3.307 316 2HB SER 632 2HB SER 632 -12.430 -0.857 2.300 317 HG SER 632 HG SER 632 -14.820 -2.077 1.388 318 H GLU 633 H GLU 633 -13.975 -2.566 5.010 319 HA GLU 633 HA GLU 633 -15.252 -5.010 5.411 320 1HB GLU 633 1HB GLU 633 -15.210 -2.406 6.666 321 2HB GLU 633 2HB GLU 633 -16.825 -3.098 6.713 322 1HG GLU 633 1HG GLU 633 -16.082 -4.065 8.591 323 2HG GLU 633 2HG GLU 633 -15.372 -5.232 7.477 324 H ASP 634 H ASP 634 -16.052 -2.518 3.243 325 HA ASP 634 HA ASP 634 -18.888 -3.087 3.176 326 1HB ASP 634 1HB ASP 634 -17.056 -1.157 1.880 327 2HB ASP 634 2HB ASP 634 -18.464 -1.631 0.934 328 H LYS 635 H LYS 635 -16.619 -5.066 2.464 329 HA LYS 635 HA LYS 635 -16.226 -6.743 0.971 330 1HB LYS 635 1HB LYS 635 -18.712 -7.028 1.705 331 2HB LYS 635 2HB LYS 635 -19.078 -6.495 0.071 332 1HG LYS 635 1HG LYS 635 -19.101 -8.855 0.042 333 2HG LYS 635 2HG LYS 635 -17.611 -8.356 -0.759 334 1HD LYS 635 1HD LYS 635 -17.182 -10.218 0.743 335 2HD LYS 635 2HD LYS 635 -16.372 -8.763 1.326 336 1HE LYS 635 1HE LYS 635 -17.528 -8.775 3.234 337 2HE LYS 635 2HE LYS 635 -19.057 -9.019 2.391 338 1HZ LYS 635 1HZ LYS 635 -17.331 -11.340 2.494 339 2HZ LYS 635 2HZ LYS 635 -17.918 -10.829 3.996 340 3HZ LYS 635 3HZ LYS 635 -18.998 -11.216 2.754 341 H LYS 636 H LYS 636 -15.330 -4.420 -0.008 342 HA LYS 636 HA LYS 636 -15.708 -4.762 -2.871 343 1HB LYS 636 1HB LYS 636 -17.236 -3.097 -2.895 344 2HB LYS 636 2HB LYS 636 -16.728 -2.468 -1.337 345 1HG LYS 636 1HG LYS 636 -16.264 -0.758 -2.836 346 2HG LYS 636 2HG LYS 636 -14.702 -1.532 -2.572 347 1HD LYS 636 1HD LYS 636 -14.799 -1.243 -4.889 348 2HD LYS 636 2HD LYS 636 -15.276 -2.926 -4.657 349 1HE LYS 636 1HE LYS 636 -17.683 -1.999 -4.611 350 2HE LYS 636 2HE LYS 636 -16.980 -0.555 -5.339 351 1HZ LYS 636 1HZ LYS 636 -15.968 -2.616 -6.814 352 2HZ LYS 636 2HZ LYS 636 -17.567 -3.086 -6.529 353 3HZ LYS 636 3HZ LYS 636 -17.243 -1.600 -7.267 354 H TRP 637 H TRP 637 -13.964 -4.050 -4.112 355 HA TRP 637 HA TRP 637 -11.520 -3.600 -2.579 356 1HB TRP 637 1HB TRP 637 -11.891 -4.240 -5.514 357 2HB TRP 637 2HB TRP 637 -10.347 -4.144 -4.675 358 HD1 TRP 637 HD1 TRP 637 -12.435 -5.809 -2.263 359 HE1 TRP 637 HE1 TRP 637 -12.237 -8.369 -2.420 360 HE3 TRP 637 HE3 TRP 637 -10.213 -6.172 -6.852 361 HZ2 TRP 637 HZ2 TRP 637 -11.267 -10.290 -4.246 362 HZ3 TRP 637 HZ3 TRP 637 -9.682 -8.408 -7.732 363 HH2 TRP 637 HH2 TRP 637 -10.198 -10.423 -6.455 364 H PHE 638 H PHE 638 -10.262 -1.818 -2.725 365 HA PHE 638 HA PHE 638 -11.130 0.347 -4.527 366 1HB PHE 638 1HB PHE 638 -10.379 0.489 -1.611 367 2HB PHE 638 2HB PHE 638 -10.290 1.898 -2.656 368 HD1 PHE 638 HD1 PHE 638 -12.365 2.785 -3.698 369 HD2 PHE 638 HD2 PHE 638 -12.431 -0.272 -0.739 370 HE1 PHE 638 HE1 PHE 638 -14.740 3.256 -3.272 371 HE2 PHE 638 HE2 PHE 638 -14.809 0.188 -0.311 372 HZ PHE 638 HZ PHE 638 -15.968 1.953 -1.579 373 H THR 639 H THR 639 -9.462 1.797 -5.203 374 HA THR 639 HA THR 639 -6.846 0.514 -5.350 375 HB THR 639 HB THR 639 -6.792 3.033 -6.652 376 HG1 THR 639 HG1 THR 639 -8.892 1.693 -7.854 377 1HG2 THR 639 1HG2 THR 639 -5.642 0.907 -7.290 378 2HG2 THR 639 2HG2 THR 639 -7.189 0.310 -7.894 379 3HG2 THR 639 3HG2 THR 639 -6.439 1.726 -8.633 380 HA PRO 640 HA PRO 640 -4.689 2.808 -2.247 381 1HB PRO 640 1HB PRO 640 -3.022 3.861 -4.504 382 2HB PRO 640 2HB PRO 640 -2.512 3.218 -2.938 383 1HG PRO 640 1HG PRO 640 -2.346 1.705 -5.110 384 2HG PRO 640 2HG PRO 640 -2.890 1.012 -3.570 385 1HD PRO 640 1HD PRO 640 -4.465 1.696 -6.001 386 2HD PRO 640 2HD PRO 640 -4.732 0.413 -4.805 387 H ARG 641 H ARG 641 -5.907 4.394 -5.091 388 HA ARG 641 HA ARG 641 -5.672 7.047 -3.914 389 1HB ARG 641 1HB ARG 641 -5.250 7.195 -6.182 390 2HB ARG 641 2HB ARG 641 -6.430 5.960 -6.592 391 1HG ARG 641 1HG ARG 641 -7.337 7.946 -7.411 392 2HG ARG 641 2HG ARG 641 -8.202 7.655 -5.900 393 1HD ARG 641 1HD ARG 641 -7.674 9.906 -5.751 394 2HD ARG 641 2HD ARG 641 -6.361 9.149 -4.850 395 HE ARG 641 HE ARG 641 -5.659 9.464 -7.578 396 1HH1 ARG 641 1HH1 ARG 641 -6.045 11.253 -4.611 397 2HH1 ARG 641 2HH1 ARG 641 -4.899 12.475 -5.050 398 1HH2 ARG 641 1HH2 ARG 641 -4.148 11.066 -8.160 399 2HH2 ARG 641 2HH2 ARG 641 -3.820 12.369 -7.067 400 H GLU 642 H GLU 642 -8.278 4.921 -5.115 401 HA GLU 642 HA GLU 642 -10.417 6.520 -4.224 402 1HB GLU 642 1HB GLU 642 -10.123 3.642 -4.998 403 2HB GLU 642 2HB GLU 642 -11.624 4.188 -4.266 404 1HG GLU 642 1HG GLU 642 -11.626 5.997 -6.077 405 2HG GLU 642 2HG GLU 642 -10.401 5.010 -6.872 406 H PHE 643 H PHE 643 -8.315 4.348 -2.607 407 HA PHE 643 HA PHE 643 -9.980 3.923 -0.302 408 1HB PHE 643 1HB PHE 643 -7.981 2.474 -1.292 409 2HB PHE 643 2HB PHE 643 -7.023 3.497 -0.227 410 HD1 PHE 643 HD1 PHE 643 -6.418 2.338 1.647 411 HD2 PHE 643 HD2 PHE 643 -10.363 1.857 0.126 412 HE1 PHE 643 HE1 PHE 643 -6.970 0.886 3.553 413 HE2 PHE 643 HE2 PHE 643 -10.924 0.404 2.030 414 HZ PHE 643 HZ PHE 643 -9.226 -0.083 3.747 415 H GLU 644 H GLU 644 -7.334 6.007 -1.264 416 HA GLU 644 HA GLU 644 -6.766 7.178 1.225 417 1HB GLU 644 1HB GLU 644 -5.202 7.562 -0.501 418 2HB GLU 644 2HB GLU 644 -6.444 8.091 -1.626 419 1HG GLU 644 1HG GLU 644 -6.723 9.987 0.235 420 2HG GLU 644 2HG GLU 644 -5.021 9.593 0.478 421 H ILE 645 H ILE 645 -9.249 7.714 -1.153 422 HA ILE 645 HA ILE 645 -10.197 10.204 -0.165 423 HB ILE 645 HB ILE 645 -11.361 8.095 -1.959 424 1HG1 ILE 645 1HG1 ILE 645 -10.771 11.015 -2.467 425 2HG1 ILE 645 2HG1 ILE 645 -9.603 9.726 -2.743 426 1HG2 ILE 645 1HG2 ILE 645 -12.867 9.988 -0.417 427 2HG2 ILE 645 2HG2 ILE 645 -13.014 10.346 -2.137 428 3HG2 ILE 645 3HG2 ILE 645 -13.435 8.745 -1.530 429 1HD1 ILE 645 1HD1 ILE 645 -12.237 9.386 -4.019 430 2HD1 ILE 645 2HD1 ILE 645 -11.223 10.688 -4.639 431 3HD1 ILE 645 3HD1 ILE 645 -10.621 9.030 -4.627 432 H GLU 646 H GLU 646 -11.092 6.831 0.454 433 HA GLU 646 HA GLU 646 -13.282 7.526 2.177 434 1HB GLU 646 1HB GLU 646 -12.746 5.324 0.766 435 2HB GLU 646 2HB GLU 646 -12.053 4.823 2.302 436 1HG GLU 646 1HG GLU 646 -14.152 4.062 2.624 437 2HG GLU 646 2HG GLU 646 -14.393 5.712 3.197 438 H GLY 647 H GLY 647 -9.891 6.773 2.619 439 1HA GLY 647 1HA GLY 647 -8.652 6.438 4.562 440 2HA GLY 647 2HA GLY 647 -10.143 6.457 5.490 441 H ASP 648 H ASP 648 -8.695 8.836 3.297 442 HA ASP 648 HA ASP 648 -8.298 10.670 5.531 443 1HB ASP 648 1HB ASP 648 -6.752 10.131 3.343 444 2HB ASP 648 2HB ASP 648 -7.595 11.587 2.823 445 H ARG 649 H ARG 649 -9.296 11.314 2.181 446 HA ARG 649 HA ARG 649 -11.921 12.098 2.672 447 1HB ARG 649 1HB ARG 649 -10.453 13.872 3.977 448 2HB ARG 649 2HB ARG 649 -10.293 14.585 2.378 449 1HG ARG 649 1HG ARG 649 -12.114 15.608 3.614 450 2HG ARG 649 2HG ARG 649 -12.721 14.747 2.199 451 1HD ARG 649 1HD ARG 649 -14.177 14.263 4.029 452 2HD ARG 649 2HD ARG 649 -13.233 12.812 3.693 453 HE ARG 649 HE ARG 649 -12.157 14.535 5.752 454 1HH1 ARG 649 1HH1 ARG 649 -14.190 11.804 5.008 455 2HH1 ARG 649 2HH1 ARG 649 -14.086 11.129 6.600 456 1HH2 ARG 649 1HH2 ARG 649 -12.015 13.652 7.851 457 2HH2 ARG 649 2HH2 ARG 649 -12.850 12.179 8.215 458 H GLY 650 H GLY 650 -8.983 12.821 0.853 459 1HA GLY 650 1HA GLY 650 -10.621 13.141 -1.577 460 2HA GLY 650 2HA GLY 650 -9.280 12.005 -1.553 461 H ALA 651 H ALA 651 -9.061 15.008 0.171 462 HA ALA 651 HA ALA 651 -7.685 16.371 -1.986 463 1HB ALA 651 1HB ALA 651 -9.206 17.606 -0.503 464 2HB ALA 651 2HB ALA 651 -7.568 18.258 -0.462 465 3HB ALA 651 3HB ALA 651 -8.149 17.250 0.863 466 H SER 652 H SER 652 -6.810 14.054 0.160 467 HA SER 652 HA SER 652 -4.399 14.944 1.266 468 1HB SER 652 1HB SER 652 -5.746 12.734 1.650 469 2HB SER 652 2HB SER 652 -4.729 12.103 0.355 470 HG SER 652 HG SER 652 -4.087 12.185 2.835 471 H LYS 653 H LYS 653 -5.182 13.818 -1.937 472 HA LYS 653 HA LYS 653 -4.045 13.846 -3.897 473 1HB LYS 653 1HB LYS 653 -3.197 16.080 -2.798 474 2HB LYS 653 2HB LYS 653 -1.681 15.202 -2.661 475 1HG LYS 653 1HG LYS 653 -2.842 14.958 -5.305 476 2HG LYS 653 2HG LYS 653 -2.559 16.638 -4.847 477 1HD LYS 653 1HD LYS 653 -0.396 14.687 -4.286 478 2HD LYS 653 2HD LYS 653 -0.677 15.127 -5.972 479 1HE LYS 653 1HE LYS 653 -0.714 17.568 -4.849 480 2HE LYS 653 2HE LYS 653 0.369 16.744 -3.730 481 1HZ LYS 653 1HZ LYS 653 1.097 16.090 -6.367 482 2HZ LYS 653 2HZ LYS 653 0.971 17.773 -6.246 483 3HZ LYS 653 3HZ LYS 653 1.995 16.925 -5.200 484 H ASN 654 H ASN 654 -1.322 13.616 -1.587 485 HA ASN 654 HA ASN 654 -0.157 11.459 -3.053 486 1HB ASN 654 1HB ASN 654 0.506 12.917 -0.524 487 2HB ASN 654 2HB ASN 654 1.304 11.386 -0.866 488 2HD2 ASN 654 2HD2 ASN 654 2.793 13.625 -0.640 489 1HD2 ASN 654 1HD2 ASN 654 3.409 14.096 -2.184 490 H TRP 655 H TRP 655 -0.953 9.477 -3.022 491 HA TRP 655 HA TRP 655 -2.502 8.517 -0.766 492 1HB TRP 655 1HB TRP 655 -2.803 6.486 -2.220 493 2HB TRP 655 2HB TRP 655 -3.372 7.991 -2.937 494 HD1 TRP 655 HD1 TRP 655 -2.165 8.840 -5.127 495 HE1 TRP 655 HE1 TRP 655 -0.465 7.760 -6.728 496 HE3 TRP 655 HE3 TRP 655 -0.751 4.858 -2.248 497 HZ2 TRP 655 HZ2 TRP 655 1.248 5.519 -6.767 498 HZ3 TRP 655 HZ3 TRP 655 0.922 3.292 -3.143 499 HH2 TRP 655 HH2 TRP 655 1.899 3.618 -5.356 500 H LYS 656 H LYS 656 0.704 8.271 -1.976 501 HA LYS 656 HA LYS 656 1.443 5.775 -0.897 502 1HB LYS 656 1HB LYS 656 3.241 8.166 -1.310 503 2HB LYS 656 2HB LYS 656 3.720 6.475 -1.256 504 1HG LYS 656 1HG LYS 656 3.614 6.544 -3.478 505 2HG LYS 656 2HG LYS 656 1.862 6.507 -3.272 506 1HD LYS 656 1HD LYS 656 1.618 8.665 -3.868 507 2HD LYS 656 2HD LYS 656 3.086 9.167 -3.026 508 1HE LYS 656 1HE LYS 656 3.902 9.444 -5.103 509 2HE LYS 656 2HE LYS 656 4.132 7.698 -5.047 510 1HZ LYS 656 1HZ LYS 656 1.526 8.661 -5.930 511 2HZ LYS 656 2HZ LYS 656 2.822 8.891 -6.992 512 3HZ LYS 656 3HZ LYS 656 2.427 7.332 -6.463 513 H LEU 657 H LEU 657 0.819 8.790 0.592 514 HA LEU 657 HA LEU 657 2.161 7.900 3.058 515 1HB LEU 657 1HB LEU 657 1.274 10.687 2.312 516 2HB LEU 657 2HB LEU 657 2.132 10.231 3.771 517 HG LEU 657 HG LEU 657 3.302 9.833 1.026 518 1HD1 LEU 657 1HD1 LEU 657 3.201 12.264 2.745 519 2HD1 LEU 657 2HD1 LEU 657 4.662 11.927 1.817 520 3HD1 LEU 657 3HD1 LEU 657 3.117 12.118 0.989 521 1HD2 LEU 657 1HD2 LEU 657 4.131 8.643 3.178 522 2HD2 LEU 657 2HD2 LEU 657 5.301 9.406 2.102 523 3HD2 LEU 657 3HD2 LEU 657 4.800 10.224 3.581 524 H SER 658 H SER 658 -0.865 8.767 1.618 525 HA SER 658 HA SER 658 -2.325 9.220 4.005 526 1HB SER 658 1HB SER 658 -2.944 9.861 1.589 527 2HB SER 658 2HB SER 658 -3.548 8.211 1.448 528 HG SER 658 HG SER 658 -4.840 10.242 2.407 529 H ILE 659 H ILE 659 -1.418 6.328 2.284 530 HA ILE 659 HA ILE 659 -3.076 4.747 4.139 531 HB ILE 659 HB ILE 659 -1.999 3.834 1.473 532 1HG1 ILE 659 1HG1 ILE 659 -4.763 4.806 2.227 533 2HG1 ILE 659 2HG1 ILE 659 -3.645 5.592 1.118 534 1HG2 ILE 659 1HG2 ILE 659 -2.430 2.106 3.239 535 2HG2 ILE 659 2HG2 ILE 659 -4.127 2.582 3.196 536 3HG2 ILE 659 3HG2 ILE 659 -3.366 1.904 1.758 537 1HD1 ILE 659 1HD1 ILE 659 -4.094 2.901 0.268 538 2HD1 ILE 659 2HD1 ILE 659 -5.639 3.711 0.525 539 3HD1 ILE 659 3HD1 ILE 659 -4.448 4.412 -0.570 540 H ARG 660 H ARG 660 -2.195 2.993 5.189 541 HA ARG 660 HA ARG 660 0.741 2.781 5.104 542 1HB ARG 660 1HB ARG 660 -0.645 1.853 7.544 543 2HB ARG 660 2HB ARG 660 0.868 2.730 7.373 544 1HG ARG 660 1HG ARG 660 -0.649 4.735 6.747 545 2HG ARG 660 2HG ARG 660 -1.921 3.790 7.527 546 1HD ARG 660 1HD ARG 660 -0.446 3.614 9.535 547 2HD ARG 660 2HD ARG 660 0.669 4.732 8.750 548 HE ARG 660 HE ARG 660 -1.525 6.181 8.682 549 1HH1 ARG 660 1HH1 ARG 660 -0.316 4.183 11.271 550 2HH1 ARG 660 2HH1 ARG 660 -1.016 5.156 12.520 551 1HH2 ARG 660 1HH2 ARG 660 -2.447 7.466 10.322 552 2HH2 ARG 660 2HH2 ARG 660 -2.228 7.021 11.982 553 H CYS 661 H CYS 661 1.533 0.588 5.877 554 HA CYS 661 HA CYS 661 -0.343 -1.584 5.345 555 1HB CYS 661 1HB CYS 661 0.921 -0.825 3.206 556 2HB CYS 661 2HB CYS 661 2.311 -1.620 3.938 557 HG CYS 661 HG CYS 661 0.656 -3.098 1.922 558 H GLY 662 H GLY 662 -0.186 -2.446 7.349 559 1HA GLY 662 1HA GLY 662 2.171 -3.946 7.985 560 2HA GLY 662 2HA GLY 662 0.709 -3.839 8.956 561 H GLY 663 H GLY 663 2.416 -0.972 7.959 562 1HA GLY 663 1HA GLY 663 4.096 -0.721 10.231 563 2HA GLY 663 2HA GLY 663 2.591 0.151 10.482 564 H TYR 664 H TYR 664 4.478 -0.301 7.511 565 HA TYR 664 HA TYR 664 5.074 2.572 7.500 566 1HB TYR 664 1HB TYR 664 6.244 0.412 5.736 567 2HB TYR 664 2HB TYR 664 6.814 2.070 5.896 568 HD1 TYR 664 HD1 TYR 664 6.791 -1.260 7.382 569 HD2 TYR 664 HD2 TYR 664 8.022 2.779 7.912 570 HE1 TYR 664 HE1 TYR 664 8.320 -1.968 9.171 571 HE2 TYR 664 HE2 TYR 664 9.556 2.082 9.703 572 HH TYR 664 HH TYR 664 9.418 -0.390 11.385 573 H THR 665 H THR 665 4.444 3.891 5.839 574 HA THR 665 HA THR 665 2.100 3.199 4.413 575 HB THR 665 HB THR 665 2.111 5.378 3.545 576 HG1 THR 665 HG1 THR 665 4.735 6.041 4.144 577 1HG2 THR 665 1HG2 THR 665 2.249 5.114 6.144 578 2HG2 THR 665 2HG2 THR 665 3.811 5.910 5.947 579 3HG2 THR 665 3HG2 THR 665 2.336 6.718 5.415 580 H LEU 666 H LEU 666 1.976 3.627 1.948 581 HA LEU 666 HA LEU 666 3.528 1.655 0.648 582 1HB LEU 666 1HB LEU 666 1.706 3.813 -0.391 583 2HB LEU 666 2HB LEU 666 2.554 2.719 -1.467 584 HG LEU 666 HG LEU 666 0.404 1.802 -1.243 585 1HD1 LEU 666 1HD1 LEU 666 2.207 0.388 0.719 586 2HD1 LEU 666 2HD1 LEU 666 0.724 -0.286 0.044 587 3HD1 LEU 666 3HD1 LEU 666 2.085 0.088 -1.014 588 1HD2 LEU 666 1HD2 LEU 666 0.533 3.014 1.356 589 2HD2 LEU 666 2HD2 LEU 666 -0.874 2.480 0.434 590 3HD2 LEU 666 3HD2 LEU 666 -0.023 1.345 1.482 591 H LYS 667 H LYS 667 3.913 5.081 1.084 592 HA LYS 667 HA LYS 667 5.729 5.648 -0.967 593 1HB LYS 667 1HB LYS 667 4.691 7.402 0.390 594 2HB LYS 667 2HB LYS 667 5.555 6.834 1.812 595 1HG LYS 667 1HG LYS 667 7.025 8.432 1.288 596 2HG LYS 667 2HG LYS 667 7.607 7.272 0.092 597 1HD LYS 667 1HD LYS 667 5.336 8.780 -0.889 598 2HD LYS 667 2HD LYS 667 6.663 9.838 -0.402 599 1HE LYS 667 1HE LYS 667 7.960 9.191 -2.112 600 2HE LYS 667 2HE LYS 667 7.515 7.494 -1.929 601 1HZ LYS 667 1HZ LYS 667 5.517 9.331 -3.025 602 2HZ LYS 667 2HZ LYS 667 6.803 8.876 -4.025 603 3HZ LYS 667 3HZ LYS 667 5.784 7.697 -3.370 604 H VAL 668 H VAL 668 6.184 4.392 2.295 605 HA VAL 668 HA VAL 668 9.049 4.208 2.008 606 HB VAL 668 HB VAL 668 7.275 3.027 4.153 607 1HG1 VAL 668 1HG1 VAL 668 9.666 2.141 3.772 608 2HG1 VAL 668 2HG1 VAL 668 10.183 3.692 4.431 609 3HG1 VAL 668 3HG1 VAL 668 9.191 2.607 5.405 610 1HG2 VAL 668 1HG2 VAL 668 8.550 5.717 3.851 611 2HG2 VAL 668 2HG2 VAL 668 6.911 5.309 4.358 612 3HG2 VAL 668 3HG2 VAL 668 8.268 5.035 5.452 613 H LEU 669 H LEU 669 6.259 2.058 1.893 614 HA LEU 669 HA LEU 669 7.630 -0.390 1.761 615 1HB LEU 669 1HB LEU 669 4.928 0.563 1.403 616 2HB LEU 669 2HB LEU 669 5.317 -0.627 0.177 617 HG LEU 669 HG LEU 669 6.076 -2.141 2.078 618 1HD1 LEU 669 1HD1 LEU 669 4.820 0.097 3.622 619 2HD1 LEU 669 2HD1 LEU 669 4.815 -1.555 4.241 620 3HD1 LEU 669 3HD1 LEU 669 6.345 -0.740 3.914 621 1HD2 LEU 669 1HD2 LEU 669 3.983 -2.458 0.861 622 2HD2 LEU 669 2HD2 LEU 669 3.798 -2.859 2.568 623 3HD2 LEU 669 3HD2 LEU 669 3.175 -1.329 1.949 624 H MET 670 H MET 670 7.059 2.096 -0.579 625 HA MET 670 HA MET 670 7.912 0.405 -2.799 626 1HB MET 670 1HB MET 670 7.224 2.121 -4.234 627 2HB MET 670 2HB MET 670 6.056 2.190 -2.923 628 1HG MET 670 1HG MET 670 6.708 4.234 -2.276 629 2HG MET 670 2HG MET 670 8.414 3.896 -2.562 630 1HE MET 670 1HE MET 670 5.070 4.222 -4.098 631 2HE MET 670 2HE MET 670 5.229 5.503 -5.298 632 3HE MET 670 3HE MET 670 5.552 3.829 -5.748 633 H GLU 671 H GLU 671 9.267 2.323 -0.424 634 HA GLU 671 HA GLU 671 11.575 3.121 -2.020 635 1HB GLU 671 1HB GLU 671 10.330 4.587 -0.263 636 2HB GLU 671 2HB GLU 671 11.271 3.675 0.908 637 1HG GLU 671 1HG GLU 671 12.982 5.029 0.580 638 2HG GLU 671 2HG GLU 671 13.047 4.538 -1.112 639 H ASN 672 H ASN 672 10.658 0.751 0.378 640 HA ASN 672 HA ASN 672 13.431 0.102 0.948 641 1HB ASN 672 1HB ASN 672 12.119 -1.855 2.226 642 2HB ASN 672 2HB ASN 672 12.344 -0.253 2.916 643 2HD2 ASN 672 2HD2 ASN 672 10.565 0.120 4.045 644 1HD2 ASN 672 1HD2 ASN 672 8.947 -0.019 3.451 645 H LYS 673 H LYS 673 10.725 -2.089 0.171 646 HA LYS 673 HA LYS 673 11.805 -3.057 -2.237 647 1HB LYS 673 1HB LYS 673 12.601 -5.286 -1.448 648 2HB LYS 673 2HB LYS 673 13.618 -3.944 -0.945 649 1HG LYS 673 1HG LYS 673 11.613 -4.459 1.045 650 2HG LYS 673 2HG LYS 673 12.496 -5.938 0.662 651 1HD LYS 673 1HD LYS 673 14.435 -5.161 1.527 652 2HD LYS 673 2HD LYS 673 14.136 -3.507 0.989 653 1HE LYS 673 1HE LYS 673 12.238 -3.665 2.842 654 2HE LYS 673 2HE LYS 673 13.343 -4.868 3.505 655 1HZ LYS 673 1HZ LYS 673 14.808 -2.594 2.742 656 2HZ LYS 673 2HZ LYS 673 13.510 -2.095 3.704 657 3HZ LYS 673 3HZ LYS 673 14.604 -3.245 4.289 658 H PHE 674 H PHE 674 9.627 -3.300 0.401 659 HA PHE 674 HA PHE 674 8.217 -5.600 -0.031 660 1HB PHE 674 1HB PHE 674 7.183 -2.867 0.725 661 2HB PHE 674 2HB PHE 674 6.210 -4.333 0.802 662 HD1 PHE 674 HD1 PHE 674 8.393 -2.214 2.574 663 HD2 PHE 674 HD2 PHE 674 7.216 -6.286 2.199 664 HE1 PHE 674 HE1 PHE 674 9.266 -2.670 4.829 665 HE2 PHE 674 HE2 PHE 674 8.086 -6.749 4.454 666 HZ PHE 674 HZ PHE 674 9.111 -4.940 5.772 667 H LEU 675 H LEU 675 8.030 -2.619 -1.917 668 HA LEU 675 HA LEU 675 6.177 -3.987 -3.751 669 1HB LEU 675 1HB LEU 675 5.104 -2.051 -2.879 670 2HB LEU 675 2HB LEU 675 6.531 -1.063 -3.134 671 HG LEU 675 HG LEU 675 5.966 -1.936 -5.673 672 1HD1 LEU 675 1HD1 LEU 675 3.833 -2.889 -4.828 673 2HD1 LEU 675 2HD1 LEU 675 3.337 -1.260 -4.372 674 3HD1 LEU 675 3HD1 LEU 675 3.623 -1.653 -6.067 675 1HD2 LEU 675 1HD2 LEU 675 6.612 0.319 -4.999 676 2HD2 LEU 675 2HD2 LEU 675 5.206 0.342 -6.065 677 3HD2 LEU 675 3HD2 LEU 675 5.002 0.582 -4.329 678 HA PRO 676 HA PRO 676 9.449 -4.014 -6.736 679 1HB PRO 676 1HB PRO 676 7.938 -4.163 -9.013 680 2HB PRO 676 2HB PRO 676 8.262 -5.543 -7.958 681 1HG PRO 676 1HG PRO 676 5.844 -3.788 -8.095 682 2HG PRO 676 2HG PRO 676 5.940 -5.549 -7.915 683 1HD PRO 676 1HD PRO 676 5.461 -3.919 -5.821 684 2HD PRO 676 2HD PRO 676 6.398 -5.419 -5.653 685 H GLU 677 H GLU 677 7.153 -2.542 -8.885 686 HA GLU 677 HA GLU 677 7.091 -0.544 -9.964 687 1HB GLU 677 1HB GLU 677 7.576 0.084 -7.174 688 2HB GLU 677 2HB GLU 677 8.287 1.295 -8.232 689 1HG GLU 677 1HG GLU 677 5.695 0.724 -9.209 690 2HG GLU 677 2HG GLU 677 5.573 0.960 -7.466 691 HA PRO 678 HA PRO 678 10.837 0.233 -12.148 692 1HB PRO 678 1HB PRO 678 10.441 3.151 -11.665 693 2HB PRO 678 2HB PRO 678 10.707 2.288 -13.184 694 1HG PRO 678 1HG PRO 678 8.287 3.179 -12.551 695 2HG PRO 678 2HG PRO 678 8.494 1.601 -13.335 696 1HD PRO 678 1HD PRO 678 7.894 2.239 -10.480 697 2HD PRO 678 2HD PRO 678 7.305 0.900 -11.487 698 HA PRO 679 HA PRO 679 14.500 0.771 -9.727 699 1HB PRO 679 1HB PRO 679 14.946 3.337 -11.216 700 2HB PRO 679 2HB PRO 679 16.100 2.057 -10.819 701 1HG PRO 679 1HG PRO 679 15.027 2.224 -13.258 702 2HG PRO 679 2HG PRO 679 15.330 0.655 -12.491 703 1HD PRO 679 1HD PRO 679 12.767 2.035 -13.003 704 2HD PRO 679 2HD PRO 679 13.095 0.305 -12.780 705 H SER 680 H SER 680 13.722 1.180 -7.695 706 HA SER 680 HA SER 680 12.434 3.489 -6.813 707 1HB SER 680 1HB SER 680 13.398 2.719 -4.510 708 2HB SER 680 2HB SER 680 12.258 1.672 -5.357 709 HG SER 680 HG SER 680 14.517 0.916 -4.500 710 H THR 681 H THR 681 15.836 2.585 -6.237 711 HA THR 681 HA THR 681 16.701 5.302 -6.682 712 HB THR 681 HB THR 681 17.942 4.974 -4.283 713 HG1 THR 681 HG1 THR 681 15.544 4.510 -3.218 714 1HG2 THR 681 1HG2 THR 681 15.421 6.402 -5.060 715 2HG2 THR 681 2HG2 THR 681 16.051 6.512 -3.417 716 3HG2 THR 681 3HG2 THR 681 17.032 7.063 -4.775 717 H ARG 682 H ARG 682 18.288 3.007 -4.549 718 HA ARG 682 HA ARG 682 19.839 1.663 -6.474 719 1HB ARG 682 1HB ARG 682 20.712 4.327 -5.877 720 2HB ARG 682 2HB ARG 682 21.894 3.190 -5.245 721 1HG ARG 682 1HG ARG 682 22.570 2.545 -7.293 722 2HG ARG 682 2HG ARG 682 20.948 2.652 -7.980 723 1HD ARG 682 1HD ARG 682 21.733 5.275 -7.305 724 2HD ARG 682 2HD ARG 682 23.101 4.529 -8.129 725 HE ARG 682 HE ARG 682 21.226 3.901 -9.831 726 1HH1 ARG 682 1HH1 ARG 682 21.568 6.889 -8.069 727 2HH1 ARG 682 2HH1 ARG 682 20.793 7.845 -9.287 728 1HH2 ARG 682 1HH2 ARG 682 20.206 5.153 -11.441 729 2HH2 ARG 682 2HH2 ARG 682 20.018 6.858 -11.204 730 H LYS 683 H LYS 683 22.285 1.794 -4.723 731 HA LYS 683 HA LYS 683 21.259 0.032 -2.610 732 1HB LYS 683 1HB LYS 683 23.461 -0.161 -4.423 733 2HB LYS 683 2HB LYS 683 24.091 -0.114 -2.783 734 1HG LYS 683 1HG LYS 683 22.404 -1.940 -2.251 735 2HG LYS 683 2HG LYS 683 22.195 -2.097 -3.996 736 1HD LYS 683 1HD LYS 683 24.810 -2.243 -3.988 737 2HD LYS 683 2HD LYS 683 24.576 -2.710 -2.302 738 1HE LYS 683 1HE LYS 683 24.344 -4.784 -3.117 739 2HE LYS 683 2HE LYS 683 22.724 -4.256 -3.573 740 1HZ LYS 683 1HZ LYS 683 25.072 -3.976 -5.360 741 2HZ LYS 683 2HZ LYS 683 24.062 -5.333 -5.376 742 3HZ LYS 683 3HZ LYS 683 23.438 -3.808 -5.763 743 H LYS 684 H LYS 684 22.472 0.060 -0.539 744 HA LYS 684 HA LYS 684 23.082 1.149 1.360 745 1HB LYS 684 1HB LYS 684 24.656 2.737 -0.668 746 2HB LYS 684 2HB LYS 684 24.813 2.975 1.067 747 1HG LYS 684 1HG LYS 684 26.292 1.337 1.156 748 2HG LYS 684 2HG LYS 684 25.076 0.204 0.561 749 1HD LYS 684 1HD LYS 684 25.664 0.740 -1.734 750 2HD LYS 684 2HD LYS 684 26.827 1.946 -1.175 751 1HE LYS 684 1HE LYS 684 27.023 -0.926 -0.331 752 2HE LYS 684 2HE LYS 684 27.704 -0.373 -1.860 753 1HZ LYS 684 1HZ LYS 684 28.919 1.342 -0.498 754 2HZ LYS 684 2HZ LYS 684 28.450 0.476 0.877 755 3HZ LYS 684 3HZ LYS 684 29.430 -0.257 -0.291 756 H VAL 685 H VAL 685 20.597 1.854 0.420 757 HA VAL 685 HA VAL 685 20.418 4.766 0.647 758 HB VAL 685 HB VAL 685 18.126 2.870 0.165 759 1HG1 VAL 685 1HG1 VAL 685 18.548 5.822 -0.110 760 2HG1 VAL 685 2HG1 VAL 685 17.303 4.994 -1.046 761 3HG1 VAL 685 3HG1 VAL 685 17.256 4.951 0.717 762 1HG2 VAL 685 1HG2 VAL 685 20.330 3.310 -1.545 763 2HG2 VAL 685 2HG2 VAL 685 18.828 2.454 -1.898 764 3HG2 VAL 685 3HG2 VAL 685 18.958 4.182 -2.228 765 H THR 686 H THR 686 19.219 5.799 2.245 766 HA THR 686 HA THR 686 19.169 4.492 4.783 767 HB THR 686 HB THR 686 17.651 6.949 4.766 768 HG1 THR 686 HG1 THR 686 19.308 8.296 3.961 769 1HG2 THR 686 1HG2 THR 686 20.287 6.068 5.934 770 2HG2 THR 686 2HG2 THR 686 19.578 7.653 6.237 771 3HG2 THR 686 3HG2 THR 686 18.729 6.196 6.750 772 H ILE 687 H ILE 687 17.210 4.623 6.215 773 HA ILE 687 HA ILE 687 15.085 4.021 6.743 774 HB ILE 687 HB ILE 687 14.255 4.789 3.951 775 1HG1 ILE 687 1HG1 ILE 687 15.545 6.640 4.878 776 2HG1 ILE 687 2HG1 ILE 687 13.835 7.056 4.847 777 1HG2 ILE 687 1HG2 ILE 687 12.828 4.539 6.582 778 2HG2 ILE 687 2HG2 ILE 687 12.148 5.424 5.217 779 3HG2 ILE 687 3HG2 ILE 687 12.494 3.700 5.066 780 1HD1 ILE 687 1HD1 ILE 687 13.754 6.375 7.273 781 2HD1 ILE 687 2HD1 ILE 687 15.515 6.308 7.219 782 3HD1 ILE 687 3HD1 ILE 687 14.680 7.829 6.903 783 H LYS 688 H LYS 688 14.090 2.098 6.850 784 HA LYS 688 HA LYS 688 14.632 0.179 4.685 785 1HB LYS 688 1HB LYS 688 14.297 -1.570 6.448 786 2HB LYS 688 2HB LYS 688 15.693 -0.533 6.708 787 1HG LYS 688 1HG LYS 688 13.704 0.771 8.080 788 2HG LYS 688 2HG LYS 688 13.326 -0.932 8.349 789 1HD LYS 688 1HD LYS 688 14.824 -0.762 10.019 790 2HD LYS 688 2HD LYS 688 16.013 -0.929 8.725 791 1HE LYS 688 1HE LYS 688 15.849 1.636 8.540 792 2HE LYS 688 2HE LYS 688 15.091 1.555 10.130 793 1HZ LYS 688 1HZ LYS 688 17.511 0.023 9.958 794 2HZ LYS 688 2HZ LYS 688 17.760 1.668 9.654 795 3HZ LYS 688 3HZ LYS 688 17.041 1.173 11.105 No H/Q in entry = 795 Start of MODEL 2 1 H1 MET 594 H1 MET 594 15.819 -7.744 5.060 2 H2 MET 594 H2 MET 594 16.384 -8.841 6.217 3 H3 MET 594 H3 MET 594 16.731 -9.084 4.580 4 HA MET 594 HA MET 594 14.643 -9.804 4.065 5 1HB MET 594 1HB MET 594 15.287 -10.566 6.910 6 2HB MET 594 2HB MET 594 13.931 -11.274 6.044 7 1HG MET 594 1HG MET 594 16.832 -11.432 5.264 8 2HG MET 594 2HG MET 594 15.849 -12.731 5.939 9 1HE MET 594 1HE MET 594 13.616 -13.201 5.047 10 2HE MET 594 2HE MET 594 12.962 -12.500 3.567 11 3HE MET 594 3HE MET 594 13.730 -14.087 3.526 12 H ASP 595 H ASP 595 12.369 -10.343 5.301 13 HA ASP 595 HA ASP 595 11.011 -7.881 5.380 14 1HB ASP 595 1HB ASP 595 9.242 -9.545 6.578 15 2HB ASP 595 2HB ASP 595 9.492 -9.474 4.837 16 H GLU 596 H GLU 596 9.627 -7.139 7.212 17 HA GLU 596 HA GLU 596 11.191 -7.225 9.698 18 1HB GLU 596 1HB GLU 596 9.442 -5.151 8.436 19 2HB GLU 596 2HB GLU 596 9.659 -5.144 10.180 20 1HG GLU 596 1HG GLU 596 12.211 -5.412 8.961 21 2HG GLU 596 2HG GLU 596 11.354 -4.081 8.185 22 H ASN 597 H ASN 597 7.988 -5.975 9.845 23 HA ASN 597 HA ASN 597 7.168 -8.317 11.409 24 1HB ASN 597 1HB ASN 597 5.628 -6.805 12.556 25 2HB ASN 597 2HB ASN 597 7.277 -6.206 12.661 26 2HD2 ASN 597 2HD2 ASN 597 4.288 -5.167 12.407 27 1HD2 ASN 597 1HD2 ASN 597 4.494 -3.772 11.410 28 H ILE 598 H ILE 598 6.688 -6.809 8.472 29 HA ILE 598 HA ILE 598 4.003 -7.994 8.198 30 HB ILE 598 HB ILE 598 5.128 -5.552 6.824 31 1HG1 ILE 598 1HG1 ILE 598 2.541 -5.299 8.105 32 2HG1 ILE 598 2HG1 ILE 598 3.762 -5.854 9.246 33 1HG2 ILE 598 1HG2 ILE 598 3.799 -6.984 5.292 34 2HG2 ILE 598 2HG2 ILE 598 2.431 -6.825 6.394 35 3HG2 ILE 598 3HG2 ILE 598 3.080 -5.400 5.582 36 1HD1 ILE 598 1HD1 ILE 598 4.339 -3.528 7.477 37 2HD1 ILE 598 2HD1 ILE 598 3.341 -3.323 8.916 38 3HD1 ILE 598 3HD1 ILE 598 4.993 -3.923 9.068 39 H ASN 599 H ASN 599 4.265 -9.876 7.188 40 HA ASN 599 HA ASN 599 6.320 -10.255 5.185 41 1HB ASN 599 1HB ASN 599 4.748 -11.939 6.906 42 2HB ASN 599 2HB ASN 599 4.583 -12.487 5.241 43 2HD2 ASN 599 2HD2 ASN 599 5.745 -14.163 6.933 44 1HD2 ASN 599 1HD2 ASN 599 7.451 -14.248 6.669 45 H PHE 600 H PHE 600 6.041 -9.904 3.085 46 HA PHE 600 HA PHE 600 3.355 -9.435 2.067 47 1HB PHE 600 1HB PHE 600 4.348 -8.317 0.258 48 2HB PHE 600 2HB PHE 600 5.375 -7.912 1.629 49 HD1 PHE 600 HD1 PHE 600 5.234 -9.313 -1.651 50 HD2 PHE 600 HD2 PHE 600 7.524 -9.226 1.936 51 HE1 PHE 600 HE1 PHE 600 7.195 -10.142 -2.886 52 HE2 PHE 600 HE2 PHE 600 9.489 -10.053 0.706 53 HZ PHE 600 HZ PHE 600 9.326 -10.503 -1.712 54 H LYS 601 H LYS 601 5.290 -12.055 2.420 55 HA LYS 601 HA LYS 601 4.827 -13.291 -0.151 56 1HB LYS 601 1HB LYS 601 6.385 -13.883 2.253 57 2HB LYS 601 2HB LYS 601 5.657 -15.303 1.514 58 1HG LYS 601 1HG LYS 601 7.283 -13.307 -0.032 59 2HG LYS 601 2HG LYS 601 7.973 -14.730 0.744 60 1HD LYS 601 1HD LYS 601 7.319 -16.043 -0.932 61 2HD LYS 601 2HD LYS 601 5.660 -15.449 -0.810 62 1HE LYS 601 1HE LYS 601 6.851 -13.335 -1.992 63 2HE LYS 601 2HE LYS 601 7.837 -14.650 -2.631 64 1HZ LYS 601 1HZ LYS 601 5.106 -15.348 -2.762 65 2HZ LYS 601 2HZ LYS 601 5.333 -13.843 -3.500 66 3HZ LYS 601 3HZ LYS 601 6.220 -15.184 -4.024 67 H GLN 602 H GLN 602 2.859 -12.680 2.382 68 HA GLN 602 HA GLN 602 1.521 -15.249 2.502 69 1HB GLN 602 1HB GLN 602 0.413 -12.729 3.687 70 2HB GLN 602 2HB GLN 602 0.263 -14.384 4.262 71 1HG GLN 602 1HG GLN 602 2.880 -12.916 4.248 72 2HG GLN 602 2HG GLN 602 1.749 -12.836 5.599 73 2HE2 GLN 602 2HE2 GLN 602 4.192 -14.627 4.058 74 1HE2 GLN 602 1HE2 GLN 602 4.181 -15.997 5.109 75 H SER 603 H SER 603 1.574 -12.931 0.249 76 HA SER 603 HA SER 603 0.280 -12.510 -1.574 77 1HB SER 603 1HB SER 603 -1.910 -14.271 -0.502 78 2HB SER 603 2HB SER 603 -1.484 -13.934 -2.179 79 HG SER 603 HG SER 603 -0.041 -15.468 -2.117 80 H GLU 604 H GLU 604 -1.125 -12.324 1.610 81 HA GLU 604 HA GLU 604 -2.800 -10.078 0.701 82 1HB GLU 604 1HB GLU 604 -3.263 -12.178 2.795 83 2HB GLU 604 2HB GLU 604 -4.058 -10.614 2.920 84 1HG GLU 604 1HG GLU 604 -5.661 -11.439 1.637 85 2HG GLU 604 2HG GLU 604 -4.511 -11.395 0.302 86 H LEU 605 H LEU 605 -1.829 -8.226 1.210 87 HA LEU 605 HA LEU 605 -0.229 -8.068 3.658 88 1HB LEU 605 1HB LEU 605 0.343 -7.230 1.143 89 2HB LEU 605 2HB LEU 605 -0.316 -5.757 1.830 90 HG LEU 605 HG LEU 605 1.363 -5.732 3.555 91 1HD1 LEU 605 1HD1 LEU 605 1.805 -8.510 2.650 92 2HD1 LEU 605 2HD1 LEU 605 3.233 -7.595 3.138 93 3HD1 LEU 605 3HD1 LEU 605 1.895 -7.811 4.267 94 1HD2 LEU 605 1HD2 LEU 605 1.859 -4.985 1.141 95 2HD2 LEU 605 2HD2 LEU 605 3.211 -5.168 2.261 96 3HD2 LEU 605 3HD2 LEU 605 2.878 -6.422 1.066 97 HA PRO 606 HA PRO 606 -3.439 -5.716 5.627 98 1HB PRO 606 1HB PRO 606 -2.030 -4.744 7.715 99 2HB PRO 606 2HB PRO 606 -2.482 -6.448 7.603 100 1HG PRO 606 1HG PRO 606 0.128 -5.137 6.952 101 2HG PRO 606 2HG PRO 606 -0.176 -6.649 7.829 102 1HD PRO 606 1HD PRO 606 0.552 -6.574 5.208 103 2HD PRO 606 2HD PRO 606 -0.466 -7.858 5.894 104 H VAL 607 H VAL 607 -4.222 -3.687 5.422 105 HA VAL 607 HA VAL 607 -2.330 -1.483 4.981 106 HB VAL 607 HB VAL 607 -4.566 -0.797 3.469 107 1HG1 VAL 607 1HG1 VAL 607 -1.816 -0.911 3.194 108 2HG1 VAL 607 2HG1 VAL 607 -2.420 -1.912 1.874 109 3HG1 VAL 607 3HG1 VAL 607 -2.961 -0.241 2.031 110 1HG2 VAL 607 1HG2 VAL 607 -3.973 -3.713 3.248 111 2HG2 VAL 607 2HG2 VAL 607 -5.520 -2.867 3.161 112 3HG2 VAL 607 3HG2 VAL 607 -4.407 -2.813 1.794 113 H THR 608 H THR 608 -3.082 0.580 5.622 114 HA THR 608 HA THR 608 -5.656 0.726 6.980 115 HB THR 608 HB THR 608 -4.453 1.879 8.944 116 HG1 THR 608 HG1 THR 608 -2.334 0.985 9.302 117 1HG2 THR 608 1HG2 THR 608 -4.394 -1.102 8.509 118 2HG2 THR 608 2HG2 THR 608 -4.067 -0.339 10.066 119 3HG2 THR 608 3HG2 THR 608 -5.648 -0.150 9.306 120 H CYS 609 H CYS 609 -6.459 2.365 5.797 121 HA CYS 609 HA CYS 609 -4.818 4.789 5.497 122 1HB CYS 609 1HB CYS 609 -5.550 3.876 3.375 123 2HB CYS 609 2HB CYS 609 -7.219 3.834 3.933 124 HG CYS 609 HG CYS 609 -7.776 6.086 2.849 125 H GLY 610 H GLY 610 -5.222 6.145 7.126 126 1HA GLY 610 1HA GLY 610 -7.674 7.463 7.411 127 2HA GLY 610 2HA GLY 610 -6.360 7.512 8.577 128 H GLU 611 H GLU 611 -6.193 5.054 9.570 129 HA GLU 611 HA GLU 611 -7.049 3.729 11.208 130 1HB GLU 611 1HB GLU 611 -9.470 5.534 11.112 131 2HB GLU 611 2HB GLU 611 -9.076 4.390 12.386 132 1HG GLU 611 1HG GLU 611 -7.545 5.744 13.327 133 2HG GLU 611 2HG GLU 611 -7.023 6.407 11.781 134 H VAL 612 H VAL 612 -8.241 4.021 8.180 135 HA VAL 612 HA VAL 612 -10.357 2.026 8.436 136 HB VAL 612 HB VAL 612 -9.345 3.578 6.049 137 1HG1 VAL 612 1HG1 VAL 612 -10.574 1.126 5.943 138 2HG1 VAL 612 2HG1 VAL 612 -11.930 2.245 5.793 139 3HG1 VAL 612 3HG1 VAL 612 -10.583 2.336 4.659 140 1HG2 VAL 612 1HG2 VAL 612 -11.544 3.945 8.002 141 2HG2 VAL 612 2HG2 VAL 612 -10.560 5.142 7.158 142 3HG2 VAL 612 3HG2 VAL 612 -11.886 4.339 6.317 143 H LYS 613 H LYS 613 -9.443 0.062 8.802 144 HA LYS 613 HA LYS 613 -7.061 -0.808 7.481 145 1HB LYS 613 1HB LYS 613 -8.279 -1.542 9.775 146 2HB LYS 613 2HB LYS 613 -8.833 -2.828 8.711 147 1HG LYS 613 1HG LYS 613 -6.268 -2.913 8.077 148 2HG LYS 613 2HG LYS 613 -6.104 -2.210 9.686 149 1HD LYS 613 1HD LYS 613 -7.951 -4.483 9.531 150 2HD LYS 613 2HD LYS 613 -6.271 -4.873 9.156 151 1HE LYS 613 1HE LYS 613 -6.647 -3.156 11.508 152 2HE LYS 613 2HE LYS 613 -7.320 -4.778 11.663 153 1HZ LYS 613 1HZ LYS 613 -4.578 -4.424 10.654 154 2HZ LYS 613 2HZ LYS 613 -4.873 -4.343 12.316 155 3HZ LYS 613 3HZ LYS 613 -5.258 -5.748 11.456 156 H GLY 614 H GLY 614 -6.991 -2.896 6.280 157 1HA GLY 614 1HA GLY 614 -8.409 -2.736 3.892 158 2HA GLY 614 2HA GLY 614 -9.244 -3.903 4.907 159 H THR 615 H THR 615 -8.647 -5.381 3.132 160 HA THR 615 HA THR 615 -6.006 -6.553 3.662 161 HB THR 615 HB THR 615 -7.453 -8.326 2.044 162 HG1 THR 615 HG1 THR 615 -9.378 -7.227 2.514 163 1HG2 THR 615 1HG2 THR 615 -6.017 -8.392 4.374 164 2HG2 THR 615 2HG2 THR 615 -7.640 -8.808 4.926 165 3HG2 THR 615 3HG2 THR 615 -6.865 -9.766 3.665 166 H LEU 616 H LEU 616 -4.465 -6.219 2.231 167 HA LEU 616 HA LEU 616 -5.127 -5.290 -0.446 168 1HB LEU 616 1HB LEU 616 -3.430 -4.116 0.922 169 2HB LEU 616 2HB LEU 616 -2.439 -5.562 0.895 170 HG LEU 616 HG LEU 616 -3.150 -4.739 -1.788 171 1HD1 LEU 616 1HD1 LEU 616 -2.451 -2.641 0.082 172 2HD1 LEU 616 2HD1 LEU 616 -1.276 -2.780 -1.226 173 3HD1 LEU 616 3HD1 LEU 616 -2.982 -2.529 -1.596 174 1HD2 LEU 616 1HD2 LEU 616 -0.784 -5.548 -0.214 175 2HD2 LEU 616 2HD2 LEU 616 -1.348 -6.105 -1.790 176 3HD2 LEU 616 3HD2 LEU 616 -0.483 -4.575 -1.654 177 H TYR 617 H TYR 617 -4.940 -6.460 -2.244 178 HA TYR 617 HA TYR 617 -3.995 -9.217 -2.001 179 1HB TYR 617 1HB TYR 617 -5.793 -7.797 -3.950 180 2HB TYR 617 2HB TYR 617 -5.076 -9.355 -4.355 181 HD1 TYR 617 HD1 TYR 617 -7.310 -7.625 -1.968 182 HD2 TYR 617 HD2 TYR 617 -5.949 -11.371 -3.457 183 HE1 TYR 617 HE1 TYR 617 -9.119 -8.760 -0.749 184 HE2 TYR 617 HE2 TYR 617 -7.755 -12.516 -2.242 185 HH TYR 617 HH TYR 617 -9.191 -11.805 0.019 186 H LYS 618 H LYS 618 -2.167 -9.901 -2.913 187 HA LYS 618 HA LYS 618 -0.389 -8.035 -4.139 188 1HB LYS 618 1HB LYS 618 -0.249 -10.701 -3.034 189 2HB LYS 618 2HB LYS 618 0.625 -10.613 -4.557 190 1HG LYS 618 1HG LYS 618 2.202 -10.117 -2.899 191 2HG LYS 618 2HG LYS 618 1.777 -8.562 -3.618 192 1HD LYS 618 1HD LYS 618 0.280 -8.085 -1.772 193 2HD LYS 618 2HD LYS 618 0.597 -9.675 -1.074 194 1HE LYS 618 1HE LYS 618 1.958 -8.206 0.143 195 2HE LYS 618 2HE LYS 618 3.045 -8.974 -1.012 196 1HZ LYS 618 1HZ LYS 618 2.394 -6.889 -2.435 197 2HZ LYS 618 2HZ LYS 618 2.081 -6.211 -0.916 198 3HZ LYS 618 3HZ LYS 618 3.625 -6.804 -1.278 199 H GLU 619 H GLU 619 -2.521 -10.548 -5.321 200 HA GLU 619 HA GLU 619 -1.497 -10.988 -7.852 201 1HB GLU 619 1HB GLU 619 -3.753 -11.666 -8.501 202 2HB GLU 619 2HB GLU 619 -3.342 -12.281 -6.906 203 1HG GLU 619 1HG GLU 619 -4.623 -10.420 -5.902 204 2HG GLU 619 2HG GLU 619 -5.104 -9.921 -7.524 205 H ARG 620 H ARG 620 -2.929 -8.134 -6.612 206 HA ARG 620 HA ARG 620 -3.049 -7.005 -9.333 207 1HB ARG 620 1HB ARG 620 -4.887 -6.710 -7.006 208 2HB ARG 620 2HB ARG 620 -4.642 -5.310 -8.041 209 1HG ARG 620 1HG ARG 620 -5.723 -6.244 -9.804 210 2HG ARG 620 2HG ARG 620 -5.252 -7.887 -9.365 211 1HD ARG 620 1HD ARG 620 -6.868 -7.898 -7.558 212 2HD ARG 620 2HD ARG 620 -7.299 -6.224 -7.905 213 HE ARG 620 HE ARG 620 -7.892 -8.531 -9.632 214 1HH1 ARG 620 1HH1 ARG 620 -8.454 -5.236 -8.645 215 2HH1 ARG 620 2HH1 ARG 620 -9.860 -5.044 -9.639 216 1HH2 ARG 620 1HH2 ARG 620 -9.741 -8.287 -10.940 217 2HH2 ARG 620 2HH2 ARG 620 -10.592 -6.780 -10.942 218 H PHE 621 H PHE 621 -1.885 -6.718 -6.098 219 HA PHE 621 HA PHE 621 -1.195 -4.037 -5.940 220 1HB PHE 621 1HB PHE 621 -1.018 -5.786 -4.119 221 2HB PHE 621 2HB PHE 621 0.497 -6.289 -4.859 222 HD1 PHE 621 HD1 PHE 621 -1.030 -2.978 -4.070 223 HD2 PHE 621 HD2 PHE 621 2.298 -5.592 -3.625 224 HE1 PHE 621 HE1 PHE 621 0.164 -1.237 -2.807 225 HE2 PHE 621 HE2 PHE 621 3.497 -3.857 -2.361 226 HZ PHE 621 HZ PHE 621 2.427 -1.695 -1.920 227 H LYS 622 H LYS 622 0.132 -6.498 -7.938 228 HA LYS 622 HA LYS 622 2.744 -5.631 -8.311 229 1HB LYS 622 1HB LYS 622 2.580 -6.690 -10.562 230 2HB LYS 622 2HB LYS 622 2.018 -7.718 -9.252 231 1HG LYS 622 1HG LYS 622 -0.095 -7.767 -10.017 232 2HG LYS 622 2HG LYS 622 -0.056 -6.083 -10.545 233 1HD LYS 622 1HD LYS 622 -0.002 -6.952 -12.615 234 2HD LYS 622 2HD LYS 622 1.706 -7.238 -12.272 235 1HE LYS 622 1HE LYS 622 1.029 -9.485 -11.354 236 2HE LYS 622 2HE LYS 622 -0.581 -9.180 -12.007 237 1HZ LYS 622 1HZ LYS 622 1.346 -8.695 -14.002 238 2HZ LYS 622 2HZ LYS 622 1.623 -10.226 -13.337 239 3HZ LYS 622 3HZ LYS 622 0.108 -9.849 -13.987 240 H GLN 623 H GLN 623 -0.139 -4.032 -9.064 241 HA GLN 623 HA GLN 623 1.285 -2.181 -10.858 242 1HB GLN 623 1HB GLN 623 -1.702 -2.600 -10.744 243 2HB GLN 623 2HB GLN 623 -0.798 -1.669 -11.932 244 1HG GLN 623 1HG GLN 623 0.368 -3.922 -12.444 245 2HG GLN 623 2HG GLN 623 -1.026 -4.628 -11.630 246 2HE2 GLN 623 2HE2 GLN 623 -2.704 -5.085 -12.848 247 1HE2 GLN 623 1HE2 GLN 623 -3.057 -4.398 -14.393 248 H GLY 624 H GLY 624 -0.243 -2.601 -7.864 249 1HA GLY 624 1HA GLY 624 0.353 0.022 -6.994 250 2HA GLY 624 2HA GLY 624 -0.579 -1.169 -6.103 251 H THR 625 H THR 625 -0.720 1.842 -7.196 252 HA THR 625 HA THR 625 -3.464 2.174 -6.795 253 HB THR 625 HB THR 625 -1.876 4.006 -6.526 254 HG1 THR 625 HG1 THR 625 -3.941 4.723 -6.868 255 1HG2 THR 625 1HG2 THR 625 -0.708 3.230 -8.796 256 2HG2 THR 625 2HG2 THR 625 -1.735 4.506 -9.448 257 3HG2 THR 625 3HG2 THR 625 -0.568 4.875 -8.178 258 H SER 626 H SER 626 -2.111 0.645 -9.373 259 HA SER 626 HA SER 626 -4.040 1.674 -11.323 260 1HB SER 626 1HB SER 626 -1.624 -0.115 -11.625 261 2HB SER 626 2HB SER 626 -2.744 0.234 -12.942 262 HG SER 626 HG SER 626 -0.699 1.628 -12.410 263 H LYS 627 H LYS 627 -4.140 -0.526 -8.961 264 HA LYS 627 HA LYS 627 -6.219 -2.044 -10.276 265 1HB LYS 627 1HB LYS 627 -3.591 -3.245 -9.526 266 2HB LYS 627 2HB LYS 627 -5.046 -4.204 -9.298 267 1HG LYS 627 1HG LYS 627 -4.273 -2.923 -11.908 268 2HG LYS 627 2HG LYS 627 -3.875 -4.583 -11.461 269 1HD LYS 627 1HD LYS 627 -6.030 -5.302 -11.676 270 2HD LYS 627 2HD LYS 627 -6.712 -3.738 -11.228 271 1HE LYS 627 1HE LYS 627 -5.938 -2.857 -13.435 272 2HE LYS 627 2HE LYS 627 -5.478 -4.503 -13.869 273 1HZ LYS 627 1HZ LYS 627 -8.212 -4.028 -12.930 274 2HZ LYS 627 2HZ LYS 627 -7.812 -3.538 -14.499 275 3HZ LYS 627 3HZ LYS 627 -7.638 -5.158 -14.049 276 H LYS 628 H LYS 628 -7.835 -2.344 -8.899 277 HA LYS 628 HA LYS 628 -7.622 -1.573 -6.165 278 1HB LYS 628 1HB LYS 628 -9.921 -3.141 -7.306 279 2HB LYS 628 2HB LYS 628 -9.945 -1.929 -6.032 280 1HG LYS 628 1HG LYS 628 -10.473 -0.381 -7.520 281 2HG LYS 628 2HG LYS 628 -8.963 -0.686 -8.380 282 1HD LYS 628 1HD LYS 628 -10.245 -2.696 -9.402 283 2HD LYS 628 2HD LYS 628 -11.686 -1.827 -8.872 284 1HE LYS 628 1HE LYS 628 -11.416 -0.169 -10.399 285 2HE LYS 628 2HE LYS 628 -9.657 -0.265 -10.352 286 1HZ LYS 628 1HZ LYS 628 -9.854 -2.377 -11.617 287 2HZ LYS 628 2HZ LYS 628 -11.512 -2.084 -11.786 288 3HZ LYS 628 3HZ LYS 628 -10.391 -1.019 -12.470 289 H CYS 629 H CYS 629 -6.708 -2.791 -4.628 290 HA CYS 629 HA CYS 629 -7.266 -5.678 -4.642 291 1HB CYS 629 1HB CYS 629 -4.908 -5.961 -3.701 292 2HB CYS 629 2HB CYS 629 -5.042 -5.599 -5.418 293 HG CYS 629 HG CYS 629 -2.856 -4.266 -4.028 294 H ILE 630 H ILE 630 -7.789 -2.923 -3.027 295 HA ILE 630 HA ILE 630 -7.298 -4.019 -0.357 296 HB ILE 630 HB ILE 630 -8.132 -1.269 -1.273 297 1HG1 ILE 630 1HG1 ILE 630 -5.825 -1.632 0.508 298 2HG1 ILE 630 2HG1 ILE 630 -5.648 -2.416 -1.059 299 1HG2 ILE 630 1HG2 ILE 630 -9.054 -2.349 1.027 300 2HG2 ILE 630 2HG2 ILE 630 -7.519 -1.677 1.577 301 3HG2 ILE 630 3HG2 ILE 630 -8.715 -0.632 0.809 302 1HD1 ILE 630 1HD1 ILE 630 -6.301 -0.188 -2.076 303 2HD1 ILE 630 2HD1 ILE 630 -6.055 0.493 -0.468 304 3HD1 ILE 630 3HD1 ILE 630 -4.715 -0.286 -1.310 305 H GLN 631 H GLN 631 -8.838 -5.425 0.223 306 HA GLN 631 HA GLN 631 -11.624 -4.903 -0.448 307 1HB GLN 631 1HB GLN 631 -10.771 -7.171 -0.782 308 2HB GLN 631 2HB GLN 631 -10.326 -7.270 0.916 309 1HG GLN 631 1HG GLN 631 -12.866 -6.771 1.296 310 2HG GLN 631 2HG GLN 631 -13.016 -7.386 -0.351 311 2HE2 GLN 631 2HE2 GLN 631 -13.211 -9.498 -0.593 312 1HE2 GLN 631 1HE2 GLN 631 -12.830 -10.693 0.593 313 H SER 632 H SER 632 -12.757 -3.658 0.866 314 HA SER 632 HA SER 632 -12.371 -3.941 3.769 315 1HB SER 632 1HB SER 632 -11.506 -1.758 2.571 316 2HB SER 632 2HB SER 632 -13.214 -1.316 2.598 317 HG SER 632 HG SER 632 -11.554 -0.958 4.521 318 H GLU 633 H GLU 633 -14.293 -2.900 4.952 319 HA GLU 633 HA GLU 633 -16.508 -2.757 5.426 320 1HB GLU 633 1HB GLU 633 -16.450 -2.356 2.587 321 2HB GLU 633 2HB GLU 633 -17.853 -3.330 3.009 322 1HG GLU 633 1HG GLU 633 -18.866 -1.401 3.438 323 2HG GLU 633 2HG GLU 633 -17.898 -1.357 4.911 324 H ASP 634 H ASP 634 -16.044 -5.278 2.911 325 HA ASP 634 HA ASP 634 -16.375 -7.438 4.625 326 1HB ASP 634 1HB ASP 634 -18.652 -8.168 4.226 327 2HB ASP 634 2HB ASP 634 -18.671 -6.553 4.926 328 H LYS 635 H LYS 635 -16.582 -6.101 1.416 329 HA LYS 635 HA LYS 635 -15.158 -8.242 0.270 330 1HB LYS 635 1HB LYS 635 -17.726 -9.001 0.651 331 2HB LYS 635 2HB LYS 635 -17.849 -8.287 -0.951 332 1HG LYS 635 1HG LYS 635 -15.563 -10.071 -0.653 333 2HG LYS 635 2HG LYS 635 -17.120 -10.863 -0.400 334 1HD LYS 635 1HD LYS 635 -17.553 -10.837 -2.584 335 2HD LYS 635 2HD LYS 635 -17.243 -9.102 -2.673 336 1HE LYS 635 1HE LYS 635 -15.591 -9.828 -4.059 337 2HE LYS 635 2HE LYS 635 -14.728 -9.931 -2.526 338 1HZ LYS 635 1HZ LYS 635 -16.218 -12.234 -3.629 339 2HZ LYS 635 2HZ LYS 635 -14.611 -11.929 -4.058 340 3HZ LYS 635 3HZ LYS 635 -15.012 -12.235 -2.443 341 H LYS 636 H LYS 636 -15.656 -5.210 0.289 342 HA LYS 636 HA LYS 636 -15.941 -4.788 -2.600 343 1HB LYS 636 1HB LYS 636 -16.792 -3.317 -0.325 344 2HB LYS 636 2HB LYS 636 -15.604 -2.332 -1.168 345 1HG LYS 636 1HG LYS 636 -17.988 -3.587 -2.507 346 2HG LYS 636 2HG LYS 636 -17.969 -1.947 -1.856 347 1HD LYS 636 1HD LYS 636 -16.722 -1.151 -3.559 348 2HD LYS 636 2HD LYS 636 -15.729 -2.607 -3.645 349 1HE LYS 636 1HE LYS 636 -17.255 -2.071 -5.635 350 2HE LYS 636 2HE LYS 636 -17.265 -3.719 -5.006 351 1HZ LYS 636 1HZ LYS 636 -19.228 -1.717 -4.075 352 2HZ LYS 636 2HZ LYS 636 -19.493 -2.607 -5.489 353 3HZ LYS 636 3HZ LYS 636 -19.324 -3.405 -4.007 354 H TRP 637 H TRP 637 -14.262 -4.284 -3.858 355 HA TRP 637 HA TRP 637 -11.648 -3.970 -2.579 356 1HB TRP 637 1HB TRP 637 -12.380 -4.590 -5.450 357 2HB TRP 637 2HB TRP 637 -10.734 -4.457 -4.840 358 HD1 TRP 637 HD1 TRP 637 -13.244 -6.257 -2.627 359 HE1 TRP 637 HE1 TRP 637 -12.699 -8.769 -2.611 360 HE3 TRP 637 HE3 TRP 637 -9.728 -6.348 -6.340 361 HZ2 TRP 637 HZ2 TRP 637 -10.999 -10.557 -3.988 362 HZ3 TRP 637 HZ3 TRP 637 -8.691 -8.499 -6.928 363 HH2 TRP 637 HH2 TRP 637 -9.314 -10.560 -5.776 364 H PHE 638 H PHE 638 -10.355 -2.226 -2.858 365 HA PHE 638 HA PHE 638 -11.310 -0.038 -4.569 366 1HB PHE 638 1HB PHE 638 -10.491 0.146 -1.667 367 2HB PHE 638 2HB PHE 638 -10.562 1.546 -2.730 368 HD1 PHE 638 HD1 PHE 638 -12.586 2.648 -3.135 369 HD2 PHE 638 HD2 PHE 638 -12.600 -1.168 -1.255 370 HE1 PHE 638 HE1 PHE 638 -14.981 2.908 -2.635 371 HE2 PHE 638 HE2 PHE 638 -14.995 -0.917 -0.753 372 HZ PHE 638 HZ PHE 638 -16.181 1.141 -1.413 373 H THR 639 H THR 639 -9.651 1.517 -5.122 374 HA THR 639 HA THR 639 -7.023 0.252 -5.348 375 HB THR 639 HB THR 639 -6.950 2.714 -6.683 376 HG1 THR 639 HG1 THR 639 -9.217 1.509 -7.735 377 1HG2 THR 639 1HG2 THR 639 -6.192 0.260 -7.260 378 2HG2 THR 639 2HG2 THR 639 -7.721 0.228 -8.140 379 3HG2 THR 639 3HG2 THR 639 -6.498 1.435 -8.539 380 HA PRO 640 HA PRO 640 -4.898 2.644 -2.294 381 1HB PRO 640 1HB PRO 640 -3.169 3.603 -4.543 382 2HB PRO 640 2HB PRO 640 -2.701 2.964 -2.961 383 1HG PRO 640 1HG PRO 640 -2.534 1.427 -5.115 384 2HG PRO 640 2HG PRO 640 -3.124 0.761 -3.582 385 1HD PRO 640 1HD PRO 640 -4.643 1.495 -6.039 386 2HD PRO 640 2HD PRO 640 -4.940 0.188 -4.875 387 H ARG 641 H ARG 641 -6.164 4.098 -5.162 388 HA ARG 641 HA ARG 641 -5.843 6.816 -4.186 389 1HB ARG 641 1HB ARG 641 -5.583 6.792 -6.489 390 2HB ARG 641 2HB ARG 641 -6.814 5.561 -6.721 391 1HG ARG 641 1HG ARG 641 -7.744 7.508 -7.605 392 2HG ARG 641 2HG ARG 641 -8.495 7.343 -6.017 393 1HD ARG 641 1HD ARG 641 -7.859 9.451 -5.650 394 2HD ARG 641 2HD ARG 641 -6.222 8.816 -5.500 395 HE ARG 641 HE ARG 641 -7.329 10.283 -7.744 396 1HH1 ARG 641 1HH1 ARG 641 -4.735 8.304 -6.523 397 2HH1 ARG 641 2HH1 ARG 641 -3.599 8.826 -7.722 398 1HH2 ARG 641 1HH2 ARG 641 -5.841 10.972 -9.331 399 2HH2 ARG 641 2HH2 ARG 641 -4.227 10.343 -9.318 400 H GLU 642 H GLU 642 -8.625 4.853 -5.288 401 HA GLU 642 HA GLU 642 -10.618 6.491 -4.214 402 1HB GLU 642 1HB GLU 642 -10.709 3.500 -4.659 403 2HB GLU 642 2HB GLU 642 -12.105 4.549 -4.448 404 1HG GLU 642 1HG GLU 642 -11.014 5.803 -6.502 405 2HG GLU 642 2HG GLU 642 -10.316 4.210 -6.786 406 H PHE 643 H PHE 643 -8.558 4.168 -2.723 407 HA PHE 643 HA PHE 643 -10.141 3.816 -0.350 408 1HB PHE 643 1HB PHE 643 -8.440 2.157 -1.313 409 2HB PHE 643 2HB PHE 643 -7.198 3.209 -0.643 410 HD1 PHE 643 HD1 PHE 643 -6.248 2.115 1.139 411 HD2 PHE 643 HD2 PHE 643 -10.483 2.093 0.729 412 HE1 PHE 643 HE1 PHE 643 -6.448 0.970 3.308 413 HE2 PHE 643 HE2 PHE 643 -10.692 0.951 2.897 414 HZ PHE 643 HZ PHE 643 -8.673 0.388 4.190 415 H GLU 644 H GLU 644 -7.467 5.808 -1.412 416 HA GLU 644 HA GLU 644 -6.730 6.891 1.082 417 1HB GLU 644 1HB GLU 644 -5.270 7.126 -0.825 418 2HB GLU 644 2HB GLU 644 -6.507 7.989 -1.726 419 1HG GLU 644 1HG GLU 644 -6.334 9.657 0.305 420 2HG GLU 644 2HG GLU 644 -4.733 8.938 0.455 421 H ILE 645 H ILE 645 -9.260 7.639 -1.202 422 HA ILE 645 HA ILE 645 -9.986 10.159 -0.073 423 HB ILE 645 HB ILE 645 -11.197 8.309 -2.081 424 1HG1 ILE 645 1HG1 ILE 645 -11.179 11.121 -2.719 425 2HG1 ILE 645 2HG1 ILE 645 -9.597 10.624 -2.127 426 1HG2 ILE 645 1HG2 ILE 645 -12.674 10.344 -0.499 427 2HG2 ILE 645 2HG2 ILE 645 -13.026 10.203 -2.222 428 3HG2 ILE 645 3HG2 ILE 645 -13.225 8.806 -1.164 429 1HD1 ILE 645 1HD1 ILE 645 -11.044 9.124 -4.282 430 2HD1 ILE 645 2HD1 ILE 645 -9.985 10.493 -4.622 431 3HD1 ILE 645 3HD1 ILE 645 -9.338 9.048 -3.846 432 H GLU 646 H GLU 646 -11.223 6.848 0.270 433 HA GLU 646 HA GLU 646 -13.344 7.612 2.040 434 1HB GLU 646 1HB GLU 646 -13.020 5.475 0.490 435 2HB GLU 646 2HB GLU 646 -12.339 4.808 1.967 436 1HG GLU 646 1HG GLU 646 -15.032 6.121 1.922 437 2HG GLU 646 2HG GLU 646 -14.812 4.419 1.517 438 H GLY 647 H GLY 647 -10.035 6.581 2.417 439 1HA GLY 647 1HA GLY 647 -8.827 6.009 4.326 440 2HA GLY 647 2HA GLY 647 -10.306 6.111 5.271 441 H ASP 648 H ASP 648 -9.210 8.646 3.132 442 HA ASP 648 HA ASP 648 -8.692 10.328 5.492 443 1HB ASP 648 1HB ASP 648 -6.791 9.591 3.666 444 2HB ASP 648 2HB ASP 648 -7.335 11.132 3.011 445 H ARG 649 H ARG 649 -8.858 11.069 2.018 446 HA ARG 649 HA ARG 649 -11.433 12.120 1.934 447 1HB ARG 649 1HB ARG 649 -10.216 13.705 3.618 448 2HB ARG 649 2HB ARG 649 -9.494 14.394 2.170 449 1HG ARG 649 1HG ARG 649 -11.423 15.680 2.803 450 2HG ARG 649 2HG ARG 649 -11.752 14.838 1.288 451 1HD ARG 649 1HD ARG 649 -13.581 13.980 2.211 452 2HD ARG 649 2HD ARG 649 -12.555 13.100 3.343 453 HE ARG 649 HE ARG 649 -13.040 15.803 4.152 454 1HH1 ARG 649 1HH1 ARG 649 -14.335 12.566 4.159 455 2HH1 ARG 649 2HH1 ARG 649 -15.330 12.829 5.551 456 1HH2 ARG 649 1HH2 ARG 649 -14.350 16.155 5.987 457 2HH2 ARG 649 2HH2 ARG 649 -15.339 14.867 6.588 458 H GLY 650 H GLY 650 -8.131 12.261 0.814 459 1HA GLY 650 1HA GLY 650 -9.150 12.753 -1.917 460 2HA GLY 650 2HA GLY 650 -7.807 11.677 -1.557 461 H ALA 651 H ALA 651 -8.154 14.702 0.117 462 HA ALA 651 HA ALA 651 -6.569 16.277 -1.638 463 1HB ALA 651 1HB ALA 651 -7.874 17.584 -0.267 464 2HB ALA 651 2HB ALA 651 -6.318 17.680 0.556 465 3HB ALA 651 3HB ALA 651 -7.567 16.588 1.156 466 H SER 652 H SER 652 -5.811 13.773 0.478 467 HA SER 652 HA SER 652 -3.330 14.566 1.518 468 1HB SER 652 1HB SER 652 -3.206 11.786 0.970 469 2HB SER 652 2HB SER 652 -3.581 12.570 2.504 470 HG SER 652 HG SER 652 -5.546 11.904 2.263 471 H LYS 653 H LYS 653 -4.286 13.753 -1.660 472 HA LYS 653 HA LYS 653 -3.200 13.695 -3.645 473 1HB LYS 653 1HB LYS 653 -2.039 15.712 -2.511 474 2HB LYS 653 2HB LYS 653 -0.674 14.623 -2.310 475 1HG LYS 653 1HG LYS 653 -0.088 15.526 -4.294 476 2HG LYS 653 2HG LYS 653 -1.120 14.230 -4.904 477 1HD LYS 653 1HD LYS 653 -2.666 16.581 -4.242 478 2HD LYS 653 2HD LYS 653 -1.384 16.963 -5.394 479 1HE LYS 653 1HE LYS 653 -2.916 16.276 -6.903 480 2HE LYS 653 2HE LYS 653 -2.308 14.678 -6.470 481 1HZ LYS 653 1HZ LYS 653 -4.284 15.362 -4.625 482 2HZ LYS 653 2HZ LYS 653 -4.904 15.701 -6.162 483 3HZ LYS 653 3HZ LYS 653 -4.336 14.149 -5.804 484 H ASN 654 H ASN 654 -0.346 13.010 -1.640 485 HA ASN 654 HA ASN 654 0.409 10.787 -3.212 486 1HB ASN 654 1HB ASN 654 1.600 10.538 -0.646 487 2HB ASN 654 2HB ASN 654 2.330 11.144 -2.128 488 2HD2 ASN 654 2HD2 ASN 654 0.807 11.981 0.871 489 1HD2 ASN 654 1HD2 ASN 654 1.212 13.660 0.844 490 H TRP 655 H TRP 655 -0.653 8.932 -3.317 491 HA TRP 655 HA TRP 655 -2.368 8.031 -1.190 492 1HB TRP 655 1HB TRP 655 -2.645 6.012 -2.732 493 2HB TRP 655 2HB TRP 655 -3.168 7.567 -3.371 494 HD1 TRP 655 HD1 TRP 655 -1.996 8.445 -5.527 495 HE1 TRP 655 HE1 TRP 655 -0.211 7.481 -7.112 496 HE3 TRP 655 HE3 TRP 655 -0.472 4.462 -2.709 497 HZ2 TRP 655 HZ2 TRP 655 1.596 5.314 -7.164 498 HZ3 TRP 655 HZ3 TRP 655 1.285 2.989 -3.601 499 HH2 TRP 655 HH2 TRP 655 2.298 3.408 -5.782 500 H LYS 656 H LYS 656 0.898 7.526 -2.131 501 HA LYS 656 HA LYS 656 1.188 4.990 -0.801 502 1HB LYS 656 1HB LYS 656 3.734 5.781 -1.126 503 2HB LYS 656 2HB LYS 656 2.787 5.037 -2.405 504 1HG LYS 656 1HG LYS 656 2.537 7.002 -3.558 505 2HG LYS 656 2HG LYS 656 2.732 7.998 -2.114 506 1HD LYS 656 1HD LYS 656 5.010 7.953 -2.226 507 2HD LYS 656 2HD LYS 656 5.050 6.348 -2.957 508 1HE LYS 656 1HE LYS 656 5.803 8.095 -4.512 509 2HE LYS 656 2HE LYS 656 4.355 7.271 -5.089 510 1HZ LYS 656 1HZ LYS 656 3.957 9.688 -3.506 511 2HZ LYS 656 2HZ LYS 656 4.585 9.896 -5.064 512 3HZ LYS 656 3HZ LYS 656 3.098 9.118 -4.849 513 H LEU 657 H LEU 657 1.250 8.274 0.130 514 HA LEU 657 HA LEU 657 2.689 7.628 2.607 515 1HB LEU 657 1HB LEU 657 2.482 10.007 0.937 516 2HB LEU 657 2HB LEU 657 2.205 10.348 2.634 517 HG LEU 657 HG LEU 657 4.629 8.842 1.680 518 1HD1 LEU 657 1HD1 LEU 657 4.124 11.784 1.817 519 2HD1 LEU 657 2HD1 LEU 657 5.739 11.139 2.109 520 3HD1 LEU 657 3HD1 LEU 657 4.937 10.845 0.566 521 1HD2 LEU 657 1HD2 LEU 657 3.940 10.311 4.220 522 2HD2 LEU 657 2HD2 LEU 657 4.171 8.574 4.020 523 3HD2 LEU 657 3HD2 LEU 657 5.539 9.671 3.840 524 H SER 658 H SER 658 -0.393 8.537 1.320 525 HA SER 658 HA SER 658 -1.528 9.374 3.818 526 1HB SER 658 1HB SER 658 -2.680 10.330 2.063 527 2HB SER 658 2HB SER 658 -2.561 8.885 1.059 528 HG SER 658 HG SER 658 -4.306 8.082 1.979 529 H ILE 659 H ILE 659 -1.191 6.357 2.109 530 HA ILE 659 HA ILE 659 -2.901 5.031 4.106 531 HB ILE 659 HB ILE 659 -1.922 3.888 1.488 532 1HG1 ILE 659 1HG1 ILE 659 -4.649 5.012 2.159 533 2HG1 ILE 659 2HG1 ILE 659 -3.439 5.838 1.183 534 1HG2 ILE 659 1HG2 ILE 659 -4.000 2.933 3.456 535 2HG2 ILE 659 2HG2 ILE 659 -3.678 2.200 1.885 536 3HG2 ILE 659 3HG2 ILE 659 -2.433 2.189 3.134 537 1HD1 ILE 659 1HD1 ILE 659 -3.547 3.670 -0.260 538 2HD1 ILE 659 2HD1 ILE 659 -5.113 3.467 0.525 539 3HD1 ILE 659 3HD1 ILE 659 -4.783 4.917 -0.424 540 H ARG 660 H ARG 660 -2.159 3.278 5.264 541 HA ARG 660 HA ARG 660 0.764 2.933 5.280 542 1HB ARG 660 1HB ARG 660 -0.894 1.996 7.565 543 2HB ARG 660 2HB ARG 660 0.718 2.699 7.561 544 1HG ARG 660 1HG ARG 660 -0.482 4.887 6.913 545 2HG ARG 660 2HG ARG 660 -1.940 4.070 7.483 546 1HD ARG 660 1HD ARG 660 -0.436 3.545 9.572 547 2HD ARG 660 2HD ARG 660 0.468 4.948 9.004 548 HE ARG 660 HE ARG 660 -2.377 5.363 9.230 549 1HH1 ARG 660 1HH1 ARG 660 0.707 5.524 10.842 550 2HH1 ARG 660 2HH1 ARG 660 0.180 6.688 12.011 551 1HH2 ARG 660 1HH2 ARG 660 -3.079 6.898 10.761 552 2HH2 ARG 660 2HH2 ARG 660 -1.973 7.471 11.964 553 H CYS 661 H CYS 661 1.513 0.737 5.953 554 HA CYS 661 HA CYS 661 -0.330 -1.387 5.100 555 1HB CYS 661 1HB CYS 661 1.843 -0.491 3.585 556 2HB CYS 661 2HB CYS 661 2.412 -1.970 4.354 557 HG CYS 661 HG CYS 661 -0.618 -2.402 3.104 558 H GLY 662 H GLY 662 -0.645 -2.113 7.185 559 1HA GLY 662 1HA GLY 662 1.251 -3.926 8.228 560 2HA GLY 662 2HA GLY 662 -0.208 -3.388 9.044 561 H GLY 663 H GLY 663 1.740 -0.781 8.155 562 1HA GLY 663 1HA GLY 663 3.527 -0.813 10.402 563 2HA GLY 663 2HA GLY 663 2.158 0.266 10.636 564 H TYR 664 H TYR 664 4.048 -0.495 7.723 565 HA TYR 664 HA TYR 664 4.935 2.307 7.629 566 1HB TYR 664 1HB TYR 664 6.031 -0.151 6.245 567 2HB TYR 664 2HB TYR 664 6.649 1.483 6.022 568 HD1 TYR 664 HD1 TYR 664 6.741 -1.479 8.056 569 HD2 TYR 664 HD2 TYR 664 7.654 2.676 8.014 570 HE1 TYR 664 HE1 TYR 664 8.242 -1.795 9.978 571 HE2 TYR 664 HE2 TYR 664 9.159 2.372 9.936 572 HH TYR 664 HH TYR 664 10.235 0.840 11.205 573 H THR 665 H THR 665 4.410 3.604 5.938 574 HA THR 665 HA THR 665 2.184 2.926 4.323 575 HB THR 665 HB THR 665 2.279 5.096 3.459 576 HG1 THR 665 HG1 THR 665 5.070 5.030 4.032 577 1HG2 THR 665 1HG2 THR 665 2.162 4.899 6.028 578 2HG2 THR 665 2HG2 THR 665 3.801 5.550 6.006 579 3HG2 THR 665 3HG2 THR 665 2.471 6.487 5.326 580 H LEU 666 H LEU 666 2.348 3.494 1.840 581 HA LEU 666 HA LEU 666 3.935 1.447 0.663 582 1HB LEU 666 1HB LEU 666 2.365 3.687 -0.619 583 2HB LEU 666 2HB LEU 666 3.108 2.370 -1.503 584 HG LEU 666 HG LEU 666 0.800 1.851 -1.313 585 1HD1 LEU 666 1HD1 LEU 666 2.784 0.230 -0.083 586 2HD1 LEU 666 2HD1 LEU 666 1.289 0.065 0.840 587 3HD1 LEU 666 3HD1 LEU 666 1.298 -0.269 -0.892 588 1HD2 LEU 666 1HD2 LEU 666 1.056 3.192 1.198 589 2HD2 LEU 666 2HD2 LEU 666 -0.407 2.754 0.314 590 3HD2 LEU 666 3HD2 LEU 666 0.315 1.611 1.447 591 H LYS 667 H LYS 667 4.294 4.884 1.102 592 HA LYS 667 HA LYS 667 6.366 5.344 -0.756 593 1HB LYS 667 1HB LYS 667 5.049 7.137 0.344 594 2HB LYS 667 2HB LYS 667 5.837 6.757 1.869 595 1HG LYS 667 1HG LYS 667 7.841 7.195 -0.103 596 2HG LYS 667 2HG LYS 667 6.687 8.528 -0.154 597 1HD LYS 667 1HD LYS 667 7.851 9.378 1.558 598 2HD LYS 667 2HD LYS 667 7.051 8.148 2.540 599 1HE LYS 667 1HE LYS 667 9.099 7.421 3.047 600 2HE LYS 667 2HE LYS 667 9.159 6.783 1.404 601 1HZ LYS 667 1HZ LYS 667 9.838 9.437 1.181 602 2HZ LYS 667 2HZ LYS 667 10.657 8.904 2.562 603 3HZ LYS 667 3HZ LYS 667 10.888 8.113 1.083 604 H VAL 668 H VAL 668 6.310 4.365 2.622 605 HA VAL 668 HA VAL 668 9.165 4.271 2.891 606 HB VAL 668 HB VAL 668 7.067 3.012 4.669 607 1HG1 VAL 668 1HG1 VAL 668 9.330 2.116 4.977 608 2HG1 VAL 668 2HG1 VAL 668 9.937 3.752 5.232 609 3HG1 VAL 668 3HG1 VAL 668 8.798 3.046 6.379 610 1HG2 VAL 668 1HG2 VAL 668 6.701 5.417 4.441 611 2HG2 VAL 668 2HG2 VAL 668 7.286 5.015 6.055 612 3HG2 VAL 668 3HG2 VAL 668 8.385 5.719 4.871 613 H LEU 669 H LEU 669 6.598 2.045 2.054 614 HA LEU 669 HA LEU 669 8.113 -0.350 2.306 615 1HB LEU 669 1HB LEU 669 5.460 0.416 1.465 616 2HB LEU 669 2HB LEU 669 6.143 -0.752 0.348 617 HG LEU 669 HG LEU 669 6.628 -2.225 2.337 618 1HD1 LEU 669 1HD1 LEU 669 5.726 0.100 3.722 619 2HD1 LEU 669 2HD1 LEU 669 4.645 -1.247 4.081 620 3HD1 LEU 669 3HD1 LEU 669 6.377 -1.401 4.378 621 1HD2 LEU 669 1HD2 LEU 669 4.593 -2.307 0.758 622 2HD2 LEU 669 2HD2 LEU 669 4.521 -3.203 2.276 623 3HD2 LEU 669 3HD2 LEU 669 3.698 -1.651 2.130 624 H MET 670 H MET 670 7.640 2.003 -0.249 625 HA MET 670 HA MET 670 8.947 0.356 -2.237 626 1HB MET 670 1HB MET 670 8.710 2.276 -3.725 627 2HB MET 670 2HB MET 670 7.189 1.918 -2.926 628 1HG MET 670 1HG MET 670 7.189 3.853 -1.746 629 2HG MET 670 2HG MET 670 8.948 3.923 -1.649 630 1HE MET 670 1HE MET 670 6.500 3.558 -4.734 631 2HE MET 670 2HE MET 670 5.760 4.780 -3.698 632 3HE MET 670 3HE MET 670 6.416 5.238 -5.270 633 H GLU 671 H GLU 671 9.948 2.222 0.319 634 HA GLU 671 HA GLU 671 12.538 2.844 -0.924 635 1HB GLU 671 1HB GLU 671 10.915 4.140 1.176 636 2HB GLU 671 2HB GLU 671 12.646 4.098 1.475 637 1HG GLU 671 1HG GLU 671 11.377 5.175 -1.032 638 2HG GLU 671 2HG GLU 671 11.864 6.157 0.349 639 H ASN 672 H ASN 672 10.961 0.877 1.420 640 HA ASN 672 HA ASN 672 13.203 0.300 3.068 641 1HB ASN 672 1HB ASN 672 10.469 -0.820 2.695 642 2HB ASN 672 2HB ASN 672 11.667 -1.851 3.470 643 2HD2 ASN 672 2HD2 ASN 672 9.234 -0.595 4.518 644 1HD2 ASN 672 1HD2 ASN 672 9.737 0.332 5.887 645 H LYS 673 H LYS 673 11.475 -1.922 0.891 646 HA LYS 673 HA LYS 673 13.681 -2.670 -0.654 647 1HB LYS 673 1HB LYS 673 14.483 -4.665 0.291 648 2HB LYS 673 2HB LYS 673 14.399 -3.540 1.638 649 1HG LYS 673 1HG LYS 673 12.793 -4.716 2.699 650 2HG LYS 673 2HG LYS 673 12.003 -5.198 1.196 651 1HD LYS 673 1HD LYS 673 12.910 -7.169 2.182 652 2HD LYS 673 2HD LYS 673 13.928 -6.762 0.798 653 1HE LYS 673 1HE LYS 673 15.473 -5.602 2.394 654 2HE LYS 673 2HE LYS 673 14.510 -6.267 3.713 655 1HZ LYS 673 1HZ LYS 673 14.990 -8.506 2.749 656 2HZ LYS 673 2HZ LYS 673 16.096 -7.765 1.705 657 3HZ LYS 673 3HZ LYS 673 16.342 -7.704 3.376 658 H PHE 674 H PHE 674 10.548 -3.393 0.653 659 HA PHE 674 HA PHE 674 9.901 -5.586 -1.002 660 1HB PHE 674 1HB PHE 674 7.938 -3.542 0.046 661 2HB PHE 674 2HB PHE 674 7.626 -5.228 -0.354 662 HD1 PHE 674 HD1 PHE 674 7.748 -3.160 2.296 663 HD2 PHE 674 HD2 PHE 674 9.557 -6.778 0.972 664 HE1 PHE 674 HE1 PHE 674 8.191 -3.791 4.632 665 HE2 PHE 674 HE2 PHE 674 10.001 -7.414 3.306 666 HZ PHE 674 HZ PHE 674 9.299 -5.922 5.144 667 H LEU 675 H LEU 675 9.656 -2.113 -1.427 668 HA LEU 675 HA LEU 675 8.898 -0.816 -3.164 669 1HB LEU 675 1HB LEU 675 10.314 -2.480 -5.128 670 2HB LEU 675 2HB LEU 675 10.487 -0.775 -4.754 671 HG LEU 675 HG LEU 675 11.663 -3.030 -3.124 672 1HD1 LEU 675 1HD1 LEU 675 12.721 -1.362 -5.348 673 2HD1 LEU 675 2HD1 LEU 675 13.805 -1.813 -4.032 674 3HD1 LEU 675 3HD1 LEU 675 13.000 -3.064 -4.980 675 1HD2 LEU 675 1HD2 LEU 675 11.013 -0.741 -2.057 676 2HD2 LEU 675 2HD2 LEU 675 12.590 -1.456 -1.724 677 3HD2 LEU 675 3HD2 LEU 675 12.445 -0.158 -2.909 678 HA PRO 676 HA PRO 676 5.267 -3.306 -4.464 679 1HB PRO 676 1HB PRO 676 4.477 -0.511 -5.146 680 2HB PRO 676 2HB PRO 676 3.547 -1.780 -4.339 681 1HG PRO 676 1HG PRO 676 4.582 0.224 -2.935 682 2HG PRO 676 2HG PRO 676 4.591 -1.430 -2.294 683 1HD PRO 676 1HD PRO 676 6.826 0.163 -3.468 684 2HD PRO 676 2HD PRO 676 6.852 -1.010 -2.135 685 H GLU 677 H GLU 677 6.890 -0.682 -6.215 686 HA GLU 677 HA GLU 677 5.816 -1.102 -8.744 687 1HB GLU 677 1HB GLU 677 7.925 -0.063 -9.596 688 2HB GLU 677 2HB GLU 677 7.133 0.852 -8.320 689 1HG GLU 677 1HG GLU 677 8.744 -0.381 -6.737 690 2HG GLU 677 2HG GLU 677 9.655 -0.749 -8.200 691 HA PRO 678 HA PRO 678 7.128 -5.145 -9.977 692 1HB PRO 678 1HB PRO 678 7.365 -3.856 -12.653 693 2HB PRO 678 2HB PRO 678 6.524 -5.338 -12.186 694 1HG PRO 678 1HG PRO 678 5.168 -3.092 -12.657 695 2HG PRO 678 2HG PRO 678 4.691 -4.191 -11.350 696 1HD PRO 678 1HD PRO 678 6.084 -1.561 -11.202 697 2HD PRO 678 2HD PRO 678 4.926 -2.292 -10.074 698 HA PRO 679 HA PRO 679 11.335 -3.815 -12.202 699 1HB PRO 679 1HB PRO 679 11.488 -1.054 -11.088 700 2HB PRO 679 2HB PRO 679 12.038 -1.670 -12.650 701 1HG PRO 679 1HG PRO 679 9.831 -0.215 -12.508 702 2HG PRO 679 2HG PRO 679 9.897 -1.640 -13.563 703 1HD PRO 679 1HD PRO 679 8.606 -1.327 -10.880 704 2HD PRO 679 2HD PRO 679 8.019 -2.188 -12.318 705 H SER 680 H SER 680 10.755 -1.944 -9.212 706 HA SER 680 HA SER 680 11.717 -2.017 -7.155 707 1HB SER 680 1HB SER 680 12.370 -4.899 -7.796 708 2HB SER 680 2HB SER 680 12.165 -4.177 -6.200 709 HG SER 680 HG SER 680 10.096 -4.195 -8.126 710 H THR 681 H THR 681 13.396 -0.582 -7.689 711 HA THR 681 HA THR 681 16.036 -1.867 -7.833 712 HB THR 681 HB THR 681 16.873 -0.206 -9.370 713 HG1 THR 681 HG1 THR 681 15.847 1.649 -9.298 714 1HG2 THR 681 1HG2 THR 681 15.313 -2.240 -10.111 715 2HG2 THR 681 2HG2 THR 681 14.342 -0.913 -10.748 716 3HG2 THR 681 3HG2 THR 681 16.013 -1.115 -11.275 717 H ARG 682 H ARG 682 17.349 -1.214 -6.255 718 HA ARG 682 HA ARG 682 16.658 1.243 -4.797 719 1HB ARG 682 1HB ARG 682 18.642 -0.378 -3.468 720 2HB ARG 682 2HB ARG 682 17.060 0.131 -2.898 721 1HG ARG 682 1HG ARG 682 16.193 -1.797 -4.418 722 2HG ARG 682 2HG ARG 682 17.852 -2.383 -4.292 723 1HD ARG 682 1HD ARG 682 16.743 -1.564 -1.729 724 2HD ARG 682 2HD ARG 682 15.816 -2.855 -2.491 725 HE ARG 682 HE ARG 682 18.698 -3.010 -1.881 726 1HH1 ARG 682 1HH1 ARG 682 15.572 -4.486 -2.308 727 2HH1 ARG 682 2HH1 ARG 682 16.116 -6.071 -1.874 728 1HH2 ARG 682 1HH2 ARG 682 19.426 -5.094 -1.306 729 2HH2 ARG 682 2HH2 ARG 682 18.308 -6.418 -1.304 730 H LYS 683 H LYS 683 17.730 2.766 -6.019 731 HA LYS 683 HA LYS 683 20.575 2.405 -6.542 732 1HB LYS 683 1HB LYS 683 18.422 3.970 -7.706 733 2HB LYS 683 2HB LYS 683 19.850 4.950 -7.407 734 1HG LYS 683 1HG LYS 683 20.943 2.736 -8.543 735 2HG LYS 683 2HG LYS 683 19.391 2.838 -9.378 736 1HD LYS 683 1HD LYS 683 20.227 4.438 -10.674 737 2HD LYS 683 2HD LYS 683 20.433 5.457 -9.249 738 1HE LYS 683 1HE LYS 683 22.648 4.699 -8.912 739 2HE LYS 683 2HE LYS 683 22.449 3.382 -10.067 740 1HZ LYS 683 1HZ LYS 683 22.180 6.187 -10.934 741 2HZ LYS 683 2HZ LYS 683 23.709 5.479 -10.791 742 3HZ LYS 683 3HZ LYS 683 22.571 4.821 -11.854 743 H LYS 684 H LYS 684 18.448 4.094 -4.400 744 HA LYS 684 HA LYS 684 20.775 5.211 -3.020 745 1HB LYS 684 1HB LYS 684 19.326 7.297 -2.587 746 2HB LYS 684 2HB LYS 684 20.106 7.140 -4.155 747 1HG LYS 684 1HG LYS 684 17.911 6.131 -4.962 748 2HG LYS 684 2HG LYS 684 17.216 6.746 -3.461 749 1HD LYS 684 1HD LYS 684 17.251 8.878 -4.178 750 2HD LYS 684 2HD LYS 684 18.829 8.696 -4.946 751 1HE LYS 684 1HE LYS 684 17.928 8.289 -6.954 752 2HE LYS 684 2HE LYS 684 16.713 7.201 -6.284 753 1HZ LYS 684 1HZ LYS 684 15.512 9.251 -5.531 754 2HZ LYS 684 2HZ LYS 684 16.589 10.155 -6.472 755 3HZ LYS 684 3HZ LYS 684 15.566 9.027 -7.207 756 H VAL 685 H VAL 685 20.742 4.651 -0.957 757 HA VAL 685 HA VAL 685 18.402 3.446 0.200 758 HB VAL 685 HB VAL 685 19.929 3.394 2.290 759 1HG1 VAL 685 1HG1 VAL 685 20.590 1.906 -0.245 760 2HG1 VAL 685 2HG1 VAL 685 21.197 1.465 1.352 761 3HG1 VAL 685 3HG1 VAL 685 19.465 1.416 1.022 762 1HG2 VAL 685 1HG2 VAL 685 21.610 4.787 0.369 763 2HG2 VAL 685 2HG2 VAL 685 21.787 4.622 2.116 764 3HG2 VAL 685 3HG2 VAL 685 22.391 3.357 1.046 765 H THR 686 H THR 686 19.883 4.964 2.734 766 HA THR 686 HA THR 686 19.258 6.607 4.172 767 HB THR 686 HB THR 686 18.296 8.211 1.813 768 HG1 THR 686 HG1 THR 686 20.991 8.259 2.631 769 1HG2 THR 686 1HG2 THR 686 18.323 8.844 4.423 770 2HG2 THR 686 2HG2 THR 686 19.956 9.345 3.984 771 3HG2 THR 686 3HG2 THR 686 18.566 10.031 3.142 772 H ILE 687 H ILE 687 17.570 5.495 5.161 773 HA ILE 687 HA ILE 687 14.889 6.432 4.401 774 HB ILE 687 HB ILE 687 15.038 4.148 3.610 775 1HG1 ILE 687 1HG1 ILE 687 13.485 3.601 6.048 776 2HG1 ILE 687 2HG1 ILE 687 13.077 5.123 5.260 777 1HG2 ILE 687 1HG2 ILE 687 16.630 3.781 5.919 778 2HG2 ILE 687 2HG2 ILE 687 15.256 2.680 6.034 779 3HG2 ILE 687 3HG2 ILE 687 16.306 2.637 4.616 780 1HD1 ILE 687 1HD1 ILE 687 12.890 3.739 3.117 781 2HD1 ILE 687 2HD1 ILE 687 12.867 2.338 4.188 782 3HD1 ILE 687 3HD1 ILE 687 11.617 3.574 4.327 783 H LYS 688 H LYS 688 13.542 6.950 6.077 784 HA LYS 688 HA LYS 688 14.461 6.411 8.810 785 1HB LYS 688 1HB LYS 688 13.970 8.735 9.466 786 2HB LYS 688 2HB LYS 688 15.264 8.646 8.279 787 1HG LYS 688 1HG LYS 688 14.097 9.773 6.728 788 2HG LYS 688 2HG LYS 688 12.573 8.992 7.156 789 1HD LYS 688 1HD LYS 688 13.843 11.029 8.957 790 2HD LYS 688 2HD LYS 688 12.817 11.512 7.605 791 1HE LYS 688 1HE LYS 688 11.160 11.337 9.116 792 2HE LYS 688 2HE LYS 688 11.270 9.616 8.753 793 1HZ LYS 688 1HZ LYS 688 13.065 10.614 10.814 794 2HZ LYS 688 2HZ LYS 688 11.421 10.592 11.209 795 3HZ LYS 688 3HZ LYS 688 12.198 9.163 10.742 No H/Q in entry = 795 Start of MODEL 3 1 H1 MET 594 H1 MET 594 15.857 -9.586 5.048 2 H2 MET 594 H2 MET 594 16.261 -11.158 5.528 3 H3 MET 594 H3 MET 594 16.657 -10.619 3.974 4 HA MET 594 HA MET 594 14.759 -11.379 3.199 5 1HB MET 594 1HB MET 594 14.328 -12.014 6.115 6 2HB MET 594 2HB MET 594 13.161 -12.468 4.881 7 1HG MET 594 1HG MET 594 14.380 -14.204 4.217 8 2HG MET 594 2HG MET 594 15.870 -13.262 4.204 9 1HE MET 594 1HE MET 594 15.086 -16.202 4.852 10 2HE MET 594 2HE MET 594 15.786 -16.726 6.384 11 3HE MET 594 3HE MET 594 14.091 -16.248 6.308 12 H ASP 595 H ASP 595 13.456 -10.127 6.268 13 HA ASP 595 HA ASP 595 12.067 -8.019 4.772 14 1HB ASP 595 1HB ASP 595 10.157 -8.668 6.582 15 2HB ASP 595 2HB ASP 595 10.194 -9.282 4.932 16 H GLU 596 H GLU 596 10.649 -6.822 6.732 17 HA GLU 596 HA GLU 596 12.653 -6.175 8.794 18 1HB GLU 596 1HB GLU 596 11.089 -4.401 6.989 19 2HB GLU 596 2HB GLU 596 11.353 -3.850 8.638 20 1HG GLU 596 1HG GLU 596 13.818 -4.812 7.591 21 2HG GLU 596 2HG GLU 596 13.103 -3.692 6.433 22 H ASN 597 H ASN 597 9.224 -6.112 7.950 23 HA ASN 597 HA ASN 597 8.477 -7.066 10.548 24 1HB ASN 597 1HB ASN 597 8.614 -4.839 11.279 25 2HB ASN 597 2HB ASN 597 7.984 -4.205 9.764 26 2HD2 ASN 597 2HD2 ASN 597 6.149 -3.226 10.202 27 1HD2 ASN 597 1HD2 ASN 597 4.856 -3.867 11.153 28 H ILE 598 H ILE 598 7.526 -5.713 7.443 29 HA ILE 598 HA ILE 598 5.178 -7.495 7.459 30 HB ILE 598 HB ILE 598 5.324 -4.863 5.993 31 1HG1 ILE 598 1HG1 ILE 598 5.370 -4.364 8.356 32 2HG1 ILE 598 2HG1 ILE 598 3.754 -4.028 7.744 33 1HG2 ILE 598 1HG2 ILE 598 3.699 -7.003 5.553 34 2HG2 ILE 598 2HG2 ILE 598 2.728 -6.037 6.666 35 3HG2 ILE 598 3HG2 ILE 598 3.300 -5.332 5.154 36 1HD1 ILE 598 1HD1 ILE 598 3.231 -6.432 8.571 37 2HD1 ILE 598 2HD1 ILE 598 4.681 -6.210 9.549 38 3HD1 ILE 598 3HD1 ILE 598 3.319 -5.104 9.728 39 H ASN 599 H ASN 599 5.115 -8.948 5.872 40 HA ASN 599 HA ASN 599 7.210 -9.103 3.946 41 1HB ASN 599 1HB ASN 599 4.646 -10.695 3.914 42 2HB ASN 599 2HB ASN 599 6.212 -11.155 3.254 43 2HD2 ASN 599 2HD2 ASN 599 4.329 -10.745 6.153 44 1HD2 ASN 599 1HD2 ASN 599 5.364 -11.660 7.191 45 H PHE 600 H PHE 600 5.836 -10.040 1.654 46 HA PHE 600 HA PHE 600 4.061 -7.945 0.763 47 1HB PHE 600 1HB PHE 600 5.524 -7.265 -1.118 48 2HB PHE 600 2HB PHE 600 6.185 -6.831 0.455 49 HD1 PHE 600 HD1 PHE 600 6.606 -8.868 -2.527 50 HD2 PHE 600 HD2 PHE 600 8.122 -8.014 1.356 51 HE1 PHE 600 HE1 PHE 600 8.699 -10.031 -3.093 52 HE2 PHE 600 HE2 PHE 600 10.218 -9.174 0.797 53 HZ PHE 600 HZ PHE 600 10.505 -10.189 -1.433 54 H LYS 601 H LYS 601 5.049 -11.084 0.722 55 HA LYS 601 HA LYS 601 3.736 -11.567 -1.868 56 1HB LYS 601 1HB LYS 601 5.222 -13.267 -2.406 57 2HB LYS 601 2HB LYS 601 6.261 -12.057 -1.667 58 1HG LYS 601 1HG LYS 601 7.010 -13.625 -0.302 59 2HG LYS 601 2HG LYS 601 5.404 -13.683 0.432 60 1HD LYS 601 1HD LYS 601 6.097 -15.909 -0.256 61 2HD LYS 601 2HD LYS 601 4.725 -15.367 -1.223 62 1HE LYS 601 1HE LYS 601 6.099 -14.925 -3.097 63 2HE LYS 601 2HE LYS 601 7.574 -15.062 -2.140 64 1HZ LYS 601 1HZ LYS 601 5.869 -17.413 -2.187 65 2HZ LYS 601 2HZ LYS 601 6.616 -17.024 -3.653 66 3HZ LYS 601 3HZ LYS 601 7.555 -17.294 -2.273 67 H GLN 602 H GLN 602 3.162 -11.741 1.289 68 HA GLN 602 HA GLN 602 2.298 -14.403 1.702 69 1HB GLN 602 1HB GLN 602 1.317 -11.892 3.064 70 2HB GLN 602 2HB GLN 602 1.132 -13.537 3.657 71 1HG GLN 602 1HG GLN 602 3.675 -11.962 3.377 72 2HG GLN 602 2HG GLN 602 2.903 -12.519 4.863 73 2HE2 GLN 602 2HE2 GLN 602 4.785 -13.433 2.085 74 1HE2 GLN 602 1HE2 GLN 602 5.285 -14.977 2.679 75 H SER 603 H SER 603 1.207 -12.515 -0.616 76 HA SER 603 HA SER 603 -0.614 -12.604 -1.969 77 1HB SER 603 1HB SER 603 -1.221 -14.816 -0.083 78 2HB SER 603 2HB SER 603 -2.569 -14.171 -1.018 79 HG SER 603 HG SER 603 -1.739 -14.976 -2.791 80 H GLU 604 H GLU 604 -1.116 -12.134 1.466 81 HA GLU 604 HA GLU 604 -3.050 -10.031 0.821 82 1HB GLU 604 1HB GLU 604 -3.435 -12.306 2.740 83 2HB GLU 604 2HB GLU 604 -4.237 -10.766 3.016 84 1HG GLU 604 1HG GLU 604 -5.749 -11.133 1.420 85 2HG GLU 604 2HG GLU 604 -4.548 -11.766 0.295 86 H LEU 605 H LEU 605 -2.081 -8.226 1.453 87 HA LEU 605 HA LEU 605 -0.527 -8.253 3.947 88 1HB LEU 605 1HB LEU 605 0.255 -7.415 1.487 89 2HB LEU 605 2HB LEU 605 -0.339 -5.912 2.167 90 HG LEU 605 HG LEU 605 1.196 -6.203 4.090 91 1HD1 LEU 605 1HD1 LEU 605 1.301 -8.714 3.841 92 2HD1 LEU 605 2HD1 LEU 605 2.439 -8.445 2.521 93 3HD1 LEU 605 3HD1 LEU 605 2.835 -7.901 4.151 94 1HD2 LEU 605 1HD2 LEU 605 1.817 -5.486 1.434 95 2HD2 LEU 605 2HD2 LEU 605 2.599 -4.946 2.920 96 3HD2 LEU 605 3HD2 LEU 605 3.204 -6.369 2.070 97 HA PRO 606 HA PRO 606 -3.845 -5.853 5.699 98 1HB PRO 606 1HB PRO 606 -2.619 -5.192 8.030 99 2HB PRO 606 2HB PRO 606 -3.293 -6.796 7.718 100 1HG PRO 606 1HG PRO 606 -0.454 -5.867 7.540 101 2HG PRO 606 2HG PRO 606 -1.100 -7.375 8.214 102 1HD PRO 606 1HD PRO 606 0.014 -7.230 5.746 103 2HD PRO 606 2HD PRO 606 -1.292 -8.366 6.143 104 H VAL 607 H VAL 607 -4.327 -3.853 5.073 105 HA VAL 607 HA VAL 607 -2.233 -1.780 5.210 106 HB VAL 607 HB VAL 607 -3.844 -0.614 3.497 107 1HG1 VAL 607 1HG1 VAL 607 -1.912 -2.826 2.846 108 2HG1 VAL 607 2HG1 VAL 607 -2.601 -1.755 1.628 109 3HG1 VAL 607 3HG1 VAL 607 -1.596 -1.092 2.917 110 1HG2 VAL 607 1HG2 VAL 607 -5.584 -2.351 3.647 111 2HG2 VAL 607 2HG2 VAL 607 -4.974 -2.148 2.005 112 3HG2 VAL 607 3HG2 VAL 607 -4.448 -3.522 2.977 113 H THR 608 H THR 608 -2.917 0.356 5.816 114 HA THR 608 HA THR 608 -5.571 0.558 7.031 115 HB THR 608 HB THR 608 -4.575 1.596 9.080 116 HG1 THR 608 HG1 THR 608 -2.454 1.633 9.331 117 1HG2 THR 608 1HG2 THR 608 -4.005 -1.309 8.498 118 2HG2 THR 608 2HG2 THR 608 -3.910 -0.596 10.108 119 3HG2 THR 608 3HG2 THR 608 -5.448 -0.627 9.247 120 H CYS 609 H CYS 609 -6.349 2.222 5.890 121 HA CYS 609 HA CYS 609 -4.659 4.619 5.592 122 1HB CYS 609 1HB CYS 609 -5.498 3.664 3.489 123 2HB CYS 609 2HB CYS 609 -7.149 3.809 4.078 124 HG CYS 609 HG CYS 609 -6.952 6.664 4.258 125 H GLY 610 H GLY 610 -5.009 5.791 7.419 126 1HA GLY 610 1HA GLY 610 -7.395 7.250 7.723 127 2HA GLY 610 2HA GLY 610 -6.117 7.133 8.926 128 H GLU 611 H GLU 611 -6.133 4.479 9.534 129 HA GLU 611 HA GLU 611 -7.076 3.057 11.041 130 1HB GLU 611 1HB GLU 611 -7.979 5.042 12.181 131 2HB GLU 611 2HB GLU 611 -9.383 5.011 11.131 132 1HG GLU 611 1HG GLU 611 -10.310 3.878 12.823 133 2HG GLU 611 2HG GLU 611 -9.448 2.507 12.129 134 H VAL 612 H VAL 612 -8.207 3.828 8.065 135 HA VAL 612 HA VAL 612 -10.438 1.979 7.997 136 HB VAL 612 HB VAL 612 -9.084 3.506 5.766 137 1HG1 VAL 612 1HG1 VAL 612 -10.893 1.312 5.664 138 2HG1 VAL 612 2HG1 VAL 612 -11.741 2.761 5.115 139 3HG1 VAL 612 3HG1 VAL 612 -10.239 2.268 4.332 140 1HG2 VAL 612 1HG2 VAL 612 -11.635 4.026 7.289 141 2HG2 VAL 612 2HG2 VAL 612 -10.164 4.997 7.323 142 3HG2 VAL 612 3HG2 VAL 612 -11.126 4.905 5.848 143 H LYS 613 H LYS 613 -9.164 0.157 8.730 144 HA LYS 613 HA LYS 613 -7.008 -0.889 7.228 145 1HB LYS 613 1HB LYS 613 -7.767 -1.418 9.656 146 2HB LYS 613 2HB LYS 613 -8.806 -2.615 8.894 147 1HG LYS 613 1HG LYS 613 -6.727 -3.505 7.764 148 2HG LYS 613 2HG LYS 613 -5.809 -2.475 8.860 149 1HD LYS 613 1HD LYS 613 -7.476 -3.722 10.600 150 2HD LYS 613 2HD LYS 613 -7.248 -4.984 9.387 151 1HE LYS 613 1HE LYS 613 -4.900 -4.970 9.678 152 2HE LYS 613 2HE LYS 613 -4.954 -3.476 10.614 153 1HZ LYS 613 1HZ LYS 613 -6.461 -4.970 12.149 154 2HZ LYS 613 2HZ LYS 613 -5.558 -6.214 11.441 155 3HZ LYS 613 3HZ LYS 613 -4.775 -4.975 12.288 156 H GLY 614 H GLY 614 -6.979 -2.916 6.043 157 1HA GLY 614 1HA GLY 614 -8.578 -2.978 3.819 158 2HA GLY 614 2HA GLY 614 -9.364 -4.048 4.972 159 H THR 615 H THR 615 -8.687 -5.341 2.850 160 HA THR 615 HA THR 615 -6.182 -6.729 3.538 161 HB THR 615 HB THR 615 -7.579 -8.435 1.861 162 HG1 THR 615 HG1 THR 615 -9.446 -7.617 3.812 163 1HG2 THR 615 1HG2 THR 615 -6.281 -8.849 4.020 164 2HG2 THR 615 2HG2 THR 615 -7.793 -8.503 4.861 165 3HG2 THR 615 3HG2 THR 615 -7.699 -9.858 3.737 166 H LEU 616 H LEU 616 -4.561 -6.387 2.188 167 HA LEU 616 HA LEU 616 -5.072 -5.421 -0.509 168 1HB LEU 616 1HB LEU 616 -3.376 -4.365 0.990 169 2HB LEU 616 2HB LEU 616 -2.436 -5.841 0.895 170 HG LEU 616 HG LEU 616 -2.889 -5.134 -1.763 171 1HD1 LEU 616 1HD1 LEU 616 -2.957 -2.785 -0.063 172 2HD1 LEU 616 2HD1 LEU 616 -1.630 -2.732 -1.223 173 3HD1 LEU 616 3HD1 LEU 616 -3.287 -2.943 -1.789 174 1HD2 LEU 616 1HD2 LEU 616 -0.616 -5.129 0.143 175 2HD2 LEU 616 2HD2 LEU 616 -0.840 -6.036 -1.352 176 3HD2 LEU 616 3HD2 LEU 616 -0.390 -4.332 -1.413 177 H TYR 617 H TYR 617 -4.981 -6.637 -2.271 178 HA TYR 617 HA TYR 617 -4.116 -9.418 -2.033 179 1HB TYR 617 1HB TYR 617 -5.882 -7.903 -3.914 180 2HB TYR 617 2HB TYR 617 -5.112 -9.381 -4.486 181 HD1 TYR 617 HD1 TYR 617 -6.888 -8.269 -1.382 182 HD2 TYR 617 HD2 TYR 617 -6.449 -11.254 -4.383 183 HE1 TYR 617 HE1 TYR 617 -8.662 -9.596 -0.314 184 HE2 TYR 617 HE2 TYR 617 -8.223 -12.587 -3.324 185 HH TYR 617 HH TYR 617 -9.375 -11.977 -0.215 186 H LYS 618 H LYS 618 -2.256 -10.135 -2.860 187 HA LYS 618 HA LYS 618 -0.399 -8.347 -4.066 188 1HB LYS 618 1HB LYS 618 -0.409 -11.096 -3.090 189 2HB LYS 618 2HB LYS 618 0.571 -10.899 -4.536 190 1HG LYS 618 1HG LYS 618 2.119 -10.474 -2.916 191 2HG LYS 618 2HG LYS 618 1.529 -8.840 -3.227 192 1HD LYS 618 1HD LYS 618 -0.080 -10.202 -1.242 193 2HD LYS 618 2HD LYS 618 1.620 -10.138 -0.772 194 1HE LYS 618 1HE LYS 618 -0.144 -7.814 -1.532 195 2HE LYS 618 2HE LYS 618 0.480 -8.189 0.074 196 1HZ LYS 618 1HZ LYS 618 2.276 -7.663 -2.218 197 2HZ LYS 618 2HZ LYS 618 1.683 -6.414 -1.243 198 3HZ LYS 618 3HZ LYS 618 2.644 -7.630 -0.567 199 H GLU 619 H GLU 619 -2.651 -10.726 -5.281 200 HA GLU 619 HA GLU 619 -1.643 -11.151 -7.835 201 1HB GLU 619 1HB GLU 619 -4.134 -11.480 -8.433 202 2HB GLU 619 2HB GLU 619 -3.411 -12.542 -7.232 203 1HG GLU 619 1HG GLU 619 -4.861 -11.901 -5.687 204 2HG GLU 619 2HG GLU 619 -4.513 -10.198 -5.981 205 H ARG 620 H ARG 620 -3.046 -8.309 -6.510 206 HA ARG 620 HA ARG 620 -3.184 -7.130 -9.207 207 1HB ARG 620 1HB ARG 620 -4.942 -6.744 -6.810 208 2HB ARG 620 2HB ARG 620 -4.775 -5.453 -7.992 209 1HG ARG 620 1HG ARG 620 -5.494 -7.045 -9.753 210 2HG ARG 620 2HG ARG 620 -5.786 -8.242 -8.490 211 1HD ARG 620 1HD ARG 620 -7.760 -7.342 -8.002 212 2HD ARG 620 2HD ARG 620 -7.046 -5.740 -7.831 213 HE ARG 620 HE ARG 620 -7.196 -5.994 -10.492 214 1HH1 ARG 620 1HH1 ARG 620 -9.538 -6.576 -7.977 215 2HH1 ARG 620 2HH1 ARG 620 -10.898 -6.183 -8.976 216 1HH2 ARG 620 1HH2 ARG 620 -8.979 -5.478 -11.812 217 2HH2 ARG 620 2HH2 ARG 620 -10.580 -5.559 -11.155 218 H PHE 621 H PHE 621 -2.005 -6.836 -5.955 219 HA PHE 621 HA PHE 621 -1.235 -4.129 -6.002 220 1HB PHE 621 1HB PHE 621 -1.354 -5.560 -3.950 221 2HB PHE 621 2HB PHE 621 0.124 -6.358 -4.476 222 HD1 PHE 621 HD1 PHE 621 -1.096 -2.845 -4.094 223 HD2 PHE 621 HD2 PHE 621 2.029 -5.655 -3.420 224 HE1 PHE 621 HE1 PHE 621 0.234 -1.095 -2.990 225 HE2 PHE 621 HE2 PHE 621 3.365 -3.909 -2.313 226 HZ PHE 621 HZ PHE 621 2.466 -1.626 -2.098 227 H LYS 622 H LYS 622 0.034 -6.857 -7.606 228 HA LYS 622 HA LYS 622 2.734 -6.402 -7.801 229 1HB LYS 622 1HB LYS 622 0.781 -7.402 -9.869 230 2HB LYS 622 2HB LYS 622 2.519 -7.390 -10.136 231 1HG LYS 622 1HG LYS 622 2.898 -9.095 -8.677 232 2HG LYS 622 2HG LYS 622 1.514 -8.682 -7.663 233 1HD LYS 622 1HD LYS 622 0.747 -10.605 -8.651 234 2HD LYS 622 2HD LYS 622 0.150 -9.398 -9.793 235 1HE LYS 622 1HE LYS 622 2.871 -10.418 -10.296 236 2HE LYS 622 2HE LYS 622 1.562 -11.580 -10.511 237 1HZ LYS 622 1HZ LYS 622 1.212 -8.943 -11.711 238 2HZ LYS 622 2HZ LYS 622 2.347 -9.967 -12.434 239 3HZ LYS 622 3HZ LYS 622 0.738 -10.464 -12.282 240 H GLN 623 H GLN 623 0.238 -4.355 -8.903 241 HA GLN 623 HA GLN 623 2.177 -2.818 -10.504 242 1HB GLN 623 1HB GLN 623 -0.605 -2.156 -11.030 243 2HB GLN 623 2HB GLN 623 0.683 -2.561 -12.154 244 1HG GLN 623 1HG GLN 623 -0.251 -4.884 -10.699 245 2HG GLN 623 2HG GLN 623 -1.550 -4.080 -11.576 246 2HE2 GLN 623 2HE2 GLN 623 -1.101 -6.476 -12.438 247 1HE2 GLN 623 1HE2 GLN 623 -0.188 -6.507 -13.905 248 H GLY 624 H GLY 624 0.133 -2.861 -7.787 249 1HA GLY 624 1HA GLY 624 0.906 -0.151 -7.113 250 2HA GLY 624 2HA GLY 624 0.079 -1.293 -6.068 251 H THR 625 H THR 625 -0.267 1.597 -7.442 252 HA THR 625 HA THR 625 -3.070 1.699 -6.997 253 HB THR 625 HB THR 625 -1.548 3.617 -6.604 254 HG1 THR 625 HG1 THR 625 -3.309 4.660 -8.468 255 1HG2 THR 625 1HG2 THR 625 -1.468 3.703 -9.619 256 2HG2 THR 625 2HG2 THR 625 -0.955 5.028 -8.576 257 3HG2 THR 625 3HG2 THR 625 -0.105 3.484 -8.522 258 H SER 626 H SER 626 -1.932 0.016 -9.339 259 HA SER 626 HA SER 626 -3.463 1.238 -11.522 260 1HB SER 626 1HB SER 626 -1.564 -1.120 -11.573 261 2HB SER 626 2HB SER 626 -2.345 -0.397 -12.979 262 HG SER 626 HG SER 626 -0.355 0.525 -12.858 263 H LYS 627 H LYS 627 -4.022 -0.779 -9.031 264 HA LYS 627 HA LYS 627 -6.389 -1.861 -10.230 265 1HB LYS 627 1HB LYS 627 -4.037 -3.583 -9.610 266 2HB LYS 627 2HB LYS 627 -5.647 -4.216 -9.279 267 1HG LYS 627 1HG LYS 627 -5.974 -4.663 -11.422 268 2HG LYS 627 2HG LYS 627 -5.574 -3.000 -11.864 269 1HD LYS 627 1HD LYS 627 -3.168 -3.614 -11.711 270 2HD LYS 627 2HD LYS 627 -3.660 -5.295 -11.484 271 1HE LYS 627 1HE LYS 627 -4.496 -3.635 -13.854 272 2HE LYS 627 2HE LYS 627 -3.041 -4.632 -13.843 273 1HZ LYS 627 1HZ LYS 627 -4.860 -6.391 -13.019 274 2HZ LYS 627 2HZ LYS 627 -5.826 -5.424 -14.015 275 3HZ LYS 627 3HZ LYS 627 -4.446 -6.172 -14.645 276 H LYS 628 H LYS 628 -7.876 -2.685 -8.701 277 HA LYS 628 HA LYS 628 -7.444 -1.635 -6.019 278 1HB LYS 628 1HB LYS 628 -9.967 -2.530 -5.915 279 2HB LYS 628 2HB LYS 628 -9.537 -0.949 -6.555 280 1HG LYS 628 1HG LYS 628 -9.425 -3.074 -8.546 281 2HG LYS 628 2HG LYS 628 -11.020 -2.844 -7.834 282 1HD LYS 628 1HD LYS 628 -9.672 -0.347 -8.526 283 2HD LYS 628 2HD LYS 628 -9.989 -1.391 -9.912 284 1HE LYS 628 1HE LYS 628 -12.078 -0.638 -9.918 285 2HE LYS 628 2HE LYS 628 -12.322 -1.463 -8.379 286 1HZ LYS 628 1HZ LYS 628 -11.093 0.815 -7.630 287 2HZ LYS 628 2HZ LYS 628 -12.032 1.351 -8.931 288 3HZ LYS 628 3HZ LYS 628 -12.768 0.575 -7.620 289 H CYS 629 H CYS 629 -6.289 -3.034 -4.803 290 HA CYS 629 HA CYS 629 -7.177 -5.841 -4.751 291 1HB CYS 629 1HB CYS 629 -4.760 -5.922 -3.536 292 2HB CYS 629 2HB CYS 629 -4.990 -6.148 -5.266 293 HG CYS 629 HG CYS 629 -3.059 -4.040 -3.844 294 H ILE 630 H ILE 630 -7.590 -3.092 -3.060 295 HA ILE 630 HA ILE 630 -7.264 -4.295 -0.415 296 HB ILE 630 HB ILE 630 -7.901 -1.482 -1.285 297 1HG1 ILE 630 1HG1 ILE 630 -5.713 -2.106 0.602 298 2HG1 ILE 630 2HG1 ILE 630 -5.503 -2.721 -1.035 299 1HG2 ILE 630 1HG2 ILE 630 -7.901 -2.623 1.505 300 2HG2 ILE 630 2HG2 ILE 630 -7.893 -0.900 1.127 301 3HG2 ILE 630 3HG2 ILE 630 -9.265 -1.900 0.651 302 1HD1 ILE 630 1HD1 ILE 630 -6.370 -0.047 -1.257 303 2HD1 ILE 630 2HD1 ILE 630 -5.089 -0.093 -0.045 304 3HD1 ILE 630 3HD1 ILE 630 -4.795 -0.728 -1.663 305 H GLN 631 H GLN 631 -8.886 -5.487 0.311 306 HA GLN 631 HA GLN 631 -11.618 -4.913 -0.543 307 1HB GLN 631 1HB GLN 631 -10.802 -7.236 -0.698 308 2HB GLN 631 2HB GLN 631 -10.512 -7.245 1.036 309 1HG GLN 631 1HG GLN 631 -13.088 -6.565 1.055 310 2HG GLN 631 2HG GLN 631 -13.046 -7.446 -0.471 311 2HE2 GLN 631 2HE2 GLN 631 -13.736 -9.437 -0.195 312 1HE2 GLN 631 1HE2 GLN 631 -13.371 -10.469 1.142 313 H SER 632 H SER 632 -12.741 -3.549 0.661 314 HA SER 632 HA SER 632 -12.471 -3.697 3.590 315 1HB SER 632 1HB SER 632 -12.757 -1.207 1.889 316 2HB SER 632 2HB SER 632 -12.879 -1.231 3.648 317 HG SER 632 HG SER 632 -10.726 -2.062 3.679 318 H GLU 633 H GLU 633 -14.403 -2.505 4.636 319 HA GLU 633 HA GLU 633 -16.630 -2.261 5.010 320 1HB GLU 633 1HB GLU 633 -16.423 -1.725 2.297 321 2HB GLU 633 2HB GLU 633 -17.672 -2.960 2.384 322 1HG GLU 633 1HG GLU 633 -19.129 -1.394 2.929 323 2HG GLU 633 2HG GLU 633 -18.244 -1.133 4.431 324 H ASP 634 H ASP 634 -16.174 -4.894 2.619 325 HA ASP 634 HA ASP 634 -16.648 -6.993 4.365 326 1HB ASP 634 1HB ASP 634 -18.975 -7.641 3.735 327 2HB ASP 634 2HB ASP 634 -18.895 -6.164 4.690 328 H LYS 635 H LYS 635 -16.759 -5.692 1.149 329 HA LYS 635 HA LYS 635 -15.385 -7.879 0.028 330 1HB LYS 635 1HB LYS 635 -17.781 -8.788 0.373 331 2HB LYS 635 2HB LYS 635 -18.213 -7.752 -0.979 332 1HG LYS 635 1HG LYS 635 -17.753 -9.578 -2.194 333 2HG LYS 635 2HG LYS 635 -16.083 -9.037 -2.020 334 1HD LYS 635 1HD LYS 635 -16.497 -10.474 0.284 335 2HD LYS 635 2HD LYS 635 -17.421 -11.384 -0.912 336 1HE LYS 635 1HE LYS 635 -14.506 -10.631 -1.054 337 2HE LYS 635 2HE LYS 635 -15.175 -12.247 -0.829 338 1HZ LYS 635 1HZ LYS 635 -16.351 -11.439 -3.115 339 2HZ LYS 635 2HZ LYS 635 -14.827 -10.720 -3.249 340 3HZ LYS 635 3HZ LYS 635 -14.958 -12.393 -3.034 341 H LYS 636 H LYS 636 -15.914 -4.801 0.037 342 HA LYS 636 HA LYS 636 -16.035 -4.402 -2.861 343 1HB LYS 636 1HB LYS 636 -16.935 -2.882 -0.600 344 2HB LYS 636 2HB LYS 636 -15.802 -1.914 -1.532 345 1HG LYS 636 1HG LYS 636 -17.890 -3.348 -3.055 346 2HG LYS 636 2HG LYS 636 -18.414 -1.996 -2.049 347 1HD LYS 636 1HD LYS 636 -17.803 -0.648 -3.715 348 2HD LYS 636 2HD LYS 636 -16.130 -1.073 -3.344 349 1HE LYS 636 1HE LYS 636 -15.959 -2.500 -5.104 350 2HE LYS 636 2HE LYS 636 -17.658 -2.964 -5.033 351 1HZ LYS 636 1HZ LYS 636 -17.272 -0.216 -5.762 352 2HZ LYS 636 2HZ LYS 636 -16.549 -1.285 -6.855 353 3HZ LYS 636 3HZ LYS 636 -18.201 -1.413 -6.516 354 H TRP 637 H TRP 637 -14.239 -4.149 -3.987 355 HA TRP 637 HA TRP 637 -11.732 -3.710 -2.570 356 1HB TRP 637 1HB TRP 637 -12.252 -4.424 -5.464 357 2HB TRP 637 2HB TRP 637 -10.664 -4.323 -4.712 358 HD1 TRP 637 HD1 TRP 637 -13.339 -5.941 -2.592 359 HE1 TRP 637 HE1 TRP 637 -12.923 -8.472 -2.473 360 HE3 TRP 637 HE3 TRP 637 -9.715 -6.336 -6.178 361 HZ2 TRP 637 HZ2 TRP 637 -11.276 -10.389 -3.730 362 HZ3 TRP 637 HZ3 TRP 637 -8.772 -8.557 -6.657 363 HH2 TRP 637 HH2 TRP 637 -9.537 -10.540 -5.457 364 H PHE 638 H PHE 638 -10.472 -1.941 -2.761 365 HA PHE 638 HA PHE 638 -11.359 0.190 -4.589 366 1HB PHE 638 1HB PHE 638 -10.603 0.386 -1.677 367 2HB PHE 638 2HB PHE 638 -10.565 1.783 -2.745 368 HD1 PHE 638 HD1 PHE 638 -12.493 3.031 -3.112 369 HD2 PHE 638 HD2 PHE 638 -12.808 -0.881 -1.471 370 HE1 PHE 638 HE1 PHE 638 -14.893 3.396 -2.714 371 HE2 PHE 638 HE2 PHE 638 -15.208 -0.527 -1.070 372 HZ PHE 638 HZ PHE 638 -16.243 1.654 -1.656 373 H THR 639 H THR 639 -9.725 1.665 -5.265 374 HA THR 639 HA THR 639 -7.094 0.429 -5.466 375 HB THR 639 HB THR 639 -7.139 2.959 -6.765 376 HG1 THR 639 HG1 THR 639 -9.408 2.865 -6.725 377 1HG2 THR 639 1HG2 THR 639 -6.002 0.729 -7.359 378 2HG2 THR 639 2HG2 THR 639 -7.528 0.318 -8.141 379 3HG2 THR 639 3HG2 THR 639 -6.610 1.724 -8.682 380 HA PRO 640 HA PRO 640 -4.928 2.800 -2.429 381 1HB PRO 640 1HB PRO 640 -3.211 3.785 -4.673 382 2HB PRO 640 2HB PRO 640 -2.738 3.118 -3.104 383 1HG PRO 640 1HG PRO 640 -2.581 1.614 -5.278 384 2HG PRO 640 2HG PRO 640 -3.181 0.926 -3.758 385 1HD PRO 640 1HD PRO 640 -4.696 1.738 -6.200 386 2HD PRO 640 2HD PRO 640 -4.993 0.391 -5.081 387 H ARG 641 H ARG 641 -6.144 4.316 -5.304 388 HA ARG 641 HA ARG 641 -5.780 7.010 -4.306 389 1HB ARG 641 1HB ARG 641 -5.638 7.063 -6.597 390 2HB ARG 641 2HB ARG 641 -6.805 5.768 -6.809 391 1HG ARG 641 1HG ARG 641 -7.859 7.669 -7.657 392 2HG ARG 641 2HG ARG 641 -8.564 7.450 -6.055 393 1HD ARG 641 1HD ARG 641 -7.789 9.417 -5.345 394 2HD ARG 641 2HD ARG 641 -6.178 9.095 -5.982 395 HE ARG 641 HE ARG 641 -8.396 10.208 -7.575 396 1HH1 ARG 641 1HH1 ARG 641 -5.008 9.913 -6.823 397 2HH1 ARG 641 2HH1 ARG 641 -4.508 11.053 -8.027 398 1HH2 ARG 641 1HH2 ARG 641 -7.749 11.709 -9.167 399 2HH2 ARG 641 2HH2 ARG 641 -6.066 12.075 -9.360 400 H GLU 642 H GLU 642 -8.540 4.878 -5.038 401 HA GLU 642 HA GLU 642 -10.496 6.619 -3.950 402 1HB GLU 642 1HB GLU 642 -10.412 3.916 -5.069 403 2HB GLU 642 2HB GLU 642 -11.600 4.098 -3.786 404 1HG GLU 642 1HG GLU 642 -12.836 5.646 -4.963 405 2HG GLU 642 2HG GLU 642 -11.478 6.104 -5.989 406 H PHE 643 H PHE 643 -8.312 4.358 -2.589 407 HA PHE 643 HA PHE 643 -9.730 3.935 -0.129 408 1HB PHE 643 1HB PHE 643 -7.879 2.463 -1.299 409 2HB PHE 643 2HB PHE 643 -6.778 3.497 -0.396 410 HD1 PHE 643 HD1 PHE 643 -5.907 2.228 1.317 411 HD2 PHE 643 HD2 PHE 643 -10.086 2.052 0.529 412 HE1 PHE 643 HE1 PHE 643 -6.220 0.816 3.307 413 HE2 PHE 643 HE2 PHE 643 -10.406 0.643 2.519 414 HZ PHE 643 HZ PHE 643 -8.472 0.024 3.911 415 H GLU 644 H GLU 644 -7.170 6.031 -1.301 416 HA GLU 644 HA GLU 644 -6.477 7.167 1.205 417 1HB GLU 644 1HB GLU 644 -4.851 7.529 -0.412 418 2HB GLU 644 2HB GLU 644 -6.029 7.882 -1.668 419 1HG GLU 644 1HG GLU 644 -5.945 9.808 0.550 420 2HG GLU 644 2HG GLU 644 -4.492 9.732 -0.445 421 H ILE 645 H ILE 645 -8.918 7.778 -1.184 422 HA ILE 645 HA ILE 645 -9.742 10.335 -0.253 423 HB ILE 645 HB ILE 645 -11.069 8.263 -1.991 424 1HG1 ILE 645 1HG1 ILE 645 -10.070 11.013 -2.723 425 2HG1 ILE 645 2HG1 ILE 645 -9.033 9.591 -2.766 426 1HG2 ILE 645 1HG2 ILE 645 -12.763 9.588 -0.754 427 2HG2 ILE 645 2HG2 ILE 645 -12.079 11.050 -1.464 428 3HG2 ILE 645 3HG2 ILE 645 -12.812 9.826 -2.501 429 1HD1 ILE 645 1HD1 ILE 645 -11.610 9.438 -4.211 430 2HD1 ILE 645 2HD1 ILE 645 -10.345 10.463 -4.891 431 3HD1 ILE 645 3HD1 ILE 645 -10.038 8.748 -4.613 432 H GLU 646 H GLU 646 -10.905 7.028 0.325 433 HA GLU 646 HA GLU 646 -13.030 7.921 2.053 434 1HB GLU 646 1HB GLU 646 -12.904 5.786 0.550 435 2HB GLU 646 2HB GLU 646 -12.077 5.085 1.934 436 1HG GLU 646 1HG GLU 646 -14.114 4.528 2.629 437 2HG GLU 646 2HG GLU 646 -14.259 6.219 3.105 438 H GLY 647 H GLY 647 -9.754 6.784 2.432 439 1HA GLY 647 1HA GLY 647 -8.498 6.303 4.318 440 2HA GLY 647 2HA GLY 647 -9.984 6.272 5.258 441 H ASP 648 H ASP 648 -8.872 8.930 3.239 442 HA ASP 648 HA ASP 648 -8.189 10.476 5.632 443 1HB ASP 648 1HB ASP 648 -6.489 10.450 3.886 444 2HB ASP 648 2HB ASP 648 -7.657 11.040 2.707 445 H ARG 649 H ARG 649 -9.555 11.481 2.499 446 HA ARG 649 HA ARG 649 -12.091 12.198 3.474 447 1HB ARG 649 1HB ARG 649 -10.405 13.896 4.578 448 2HB ARG 649 2HB ARG 649 -10.493 14.677 3.005 449 1HG ARG 649 1HG ARG 649 -12.068 15.677 4.549 450 2HG ARG 649 2HG ARG 649 -12.920 14.867 3.233 451 1HD ARG 649 1HD ARG 649 -14.120 13.859 4.823 452 2HD ARG 649 2HD ARG 649 -12.680 12.890 5.134 453 HE ARG 649 HE ARG 649 -12.208 14.982 6.694 454 1HH1 ARG 649 1HH1 ARG 649 -15.145 13.165 6.222 455 2HH1 ARG 649 2HH1 ARG 649 -15.723 13.436 7.831 456 1HH2 ARG 649 1HH2 ARG 649 -12.961 15.344 8.813 457 2HH2 ARG 649 2HH2 ARG 649 -14.481 14.676 9.306 458 H GLY 650 H GLY 650 -9.542 12.658 1.135 459 1HA GLY 650 1HA GLY 650 -11.619 13.072 -0.928 460 2HA GLY 650 2HA GLY 650 -10.170 12.111 -1.186 461 H ALA 651 H ALA 651 -10.000 15.075 0.606 462 HA ALA 651 HA ALA 651 -9.335 16.737 -1.634 463 1HB ALA 651 1HB ALA 651 -10.348 17.811 0.224 464 2HB ALA 651 2HB ALA 651 -8.680 18.378 0.161 465 3HB ALA 651 3HB ALA 651 -9.152 17.156 1.342 466 H SER 652 H SER 652 -7.689 14.311 -0.132 467 HA SER 652 HA SER 652 -5.087 15.466 0.048 468 1HB SER 652 1HB SER 652 -6.290 12.785 0.386 469 2HB SER 652 2HB SER 652 -4.601 12.796 -0.121 470 HG SER 652 HG SER 652 -4.424 14.428 1.704 471 H LYS 653 H LYS 653 -3.841 13.104 -1.287 472 HA LYS 653 HA LYS 653 -4.408 13.043 -4.025 473 1HB LYS 653 1HB LYS 653 -3.449 15.491 -3.479 474 2HB LYS 653 2HB LYS 653 -1.925 14.641 -3.694 475 1HG LYS 653 1HG LYS 653 -4.040 14.299 -5.754 476 2HG LYS 653 2HG LYS 653 -3.137 15.814 -5.706 477 1HD LYS 653 1HD LYS 653 -1.342 14.859 -6.620 478 2HD LYS 653 2HD LYS 653 -1.379 13.532 -5.457 479 1HE LYS 653 1HE LYS 653 -3.065 12.392 -6.806 480 2HE LYS 653 2HE LYS 653 -3.049 13.723 -7.962 481 1HZ LYS 653 1HZ LYS 653 -0.552 13.193 -8.122 482 2HZ LYS 653 2HZ LYS 653 -0.970 11.700 -7.445 483 3HZ LYS 653 3HZ LYS 653 -1.647 12.179 -8.919 484 H ASN 654 H ASN 654 -1.647 13.185 -1.786 485 HA ASN 654 HA ASN 654 -0.239 11.098 -3.178 486 1HB ASN 654 1HB ASN 654 0.778 13.053 -1.839 487 2HB ASN 654 2HB ASN 654 0.421 12.085 -0.411 488 2HD2 ASN 654 2HD2 ASN 654 2.494 12.554 -3.083 489 1HD2 ASN 654 1HD2 ASN 654 3.588 11.257 -2.756 490 H TRP 655 H TRP 655 -1.187 9.154 -3.118 491 HA TRP 655 HA TRP 655 -2.508 8.153 -0.766 492 1HB TRP 655 1HB TRP 655 -2.744 6.061 -2.155 493 2HB TRP 655 2HB TRP 655 -3.443 7.510 -2.872 494 HD1 TRP 655 HD1 TRP 655 -2.463 8.328 -5.163 495 HE1 TRP 655 HE1 TRP 655 -0.754 7.342 -6.816 496 HE3 TRP 655 HE3 TRP 655 -0.514 4.631 -2.213 497 HZ2 TRP 655 HZ2 TRP 655 1.165 5.272 -6.864 498 HZ3 TRP 655 HZ3 TRP 655 1.254 3.191 -3.140 499 HH2 TRP 655 HH2 TRP 655 2.075 3.507 -5.418 500 H LYS 656 H LYS 656 0.671 8.032 -2.073 501 HA LYS 656 HA LYS 656 1.568 5.597 -0.993 502 1HB LYS 656 1HB LYS 656 3.258 8.069 -1.363 503 2HB LYS 656 2HB LYS 656 3.784 6.392 -1.405 504 1HG LYS 656 1HG LYS 656 2.325 6.104 -3.439 505 2HG LYS 656 2HG LYS 656 2.129 7.858 -3.441 506 1HD LYS 656 1HD LYS 656 4.423 8.216 -3.843 507 2HD LYS 656 2HD LYS 656 4.837 6.551 -3.431 508 1HE LYS 656 1HE LYS 656 3.727 5.742 -5.416 509 2HE LYS 656 2HE LYS 656 3.158 7.365 -5.800 510 1HZ LYS 656 1HZ LYS 656 6.034 7.033 -5.486 511 2HZ LYS 656 2HZ LYS 656 5.342 6.317 -6.855 512 3HZ LYS 656 3HZ LYS 656 5.167 7.979 -6.588 513 H LEU 657 H LEU 657 0.841 8.600 0.496 514 HA LEU 657 HA LEU 657 2.185 7.729 2.966 515 1HB LEU 657 1HB LEU 657 1.400 10.506 2.087 516 2HB LEU 657 2HB LEU 657 2.079 10.112 3.654 517 HG LEU 657 HG LEU 657 3.614 9.331 1.221 518 1HD1 LEU 657 1HD1 LEU 657 3.432 12.135 2.308 519 2HD1 LEU 657 2HD1 LEU 657 4.690 11.562 1.213 520 3HD1 LEU 657 3HD1 LEU 657 3.008 11.594 0.683 521 1HD2 LEU 657 1HD2 LEU 657 4.312 8.717 3.527 522 2HD2 LEU 657 2HD2 LEU 657 5.498 9.690 2.658 523 3HD2 LEU 657 3HD2 LEU 657 4.477 10.435 3.888 524 H SER 658 H SER 658 -0.836 8.639 1.523 525 HA SER 658 HA SER 658 -2.281 9.130 3.910 526 1HB SER 658 1HB SER 658 -3.070 9.914 1.725 527 2HB SER 658 2HB SER 658 -3.297 8.245 1.200 528 HG SER 658 HG SER 658 -5.239 8.584 1.964 529 H ILE 659 H ILE 659 -1.469 6.208 2.174 530 HA ILE 659 HA ILE 659 -3.112 4.665 4.073 531 HB ILE 659 HB ILE 659 -1.986 3.594 1.495 532 1HG1 ILE 659 1HG1 ILE 659 -4.772 4.700 1.912 533 2HG1 ILE 659 2HG1 ILE 659 -3.483 5.562 1.077 534 1HG2 ILE 659 1HG2 ILE 659 -3.015 2.273 3.604 535 2HG2 ILE 659 2HG2 ILE 659 -4.481 2.558 2.667 536 3HG2 ILE 659 3HG2 ILE 659 -3.123 1.700 1.939 537 1HD1 ILE 659 1HD1 ILE 659 -4.272 2.834 0.168 538 2HD1 ILE 659 2HD1 ILE 659 -5.248 4.234 -0.277 539 3HD1 ILE 659 3HD1 ILE 659 -3.548 4.158 -0.745 540 H ARG 660 H ARG 660 -2.202 3.049 5.271 541 HA ARG 660 HA ARG 660 0.735 2.880 5.191 542 1HB ARG 660 1HB ARG 660 -0.821 1.925 7.552 543 2HB ARG 660 2HB ARG 660 0.782 2.640 7.484 544 1HG ARG 660 1HG ARG 660 -0.410 4.816 6.862 545 2HG ARG 660 2HG ARG 660 -1.883 4.010 7.411 546 1HD ARG 660 1HD ARG 660 -0.255 3.476 9.487 547 2HD ARG 660 2HD ARG 660 0.427 5.012 8.953 548 HE ARG 660 HE ARG 660 -2.294 4.574 9.956 549 1HH1 ARG 660 1HH1 ARG 660 0.223 6.736 8.894 550 2HH1 ARG 660 2HH1 ARG 660 -0.564 8.156 9.496 551 1HH2 ARG 660 1HH2 ARG 660 -3.340 6.439 10.750 552 2HH2 ARG 660 2HH2 ARG 660 -2.590 7.987 10.554 553 H CYS 661 H CYS 661 1.632 0.744 5.909 554 HA CYS 661 HA CYS 661 -0.097 -1.524 5.234 555 1HB CYS 661 1HB CYS 661 1.568 -0.542 3.346 556 2HB CYS 661 2HB CYS 661 2.656 -1.662 4.156 557 HG CYS 661 HG CYS 661 1.087 -2.540 1.732 558 H GLY 662 H GLY 662 -0.102 -2.415 7.241 559 1HA GLY 662 1HA GLY 662 2.037 -4.003 8.081 560 2HA GLY 662 2HA GLY 662 0.665 -3.553 9.082 561 H GLY 663 H GLY 663 1.716 -0.660 8.335 562 1HA GLY 663 1HA GLY 663 3.985 -0.575 10.186 563 2HA GLY 663 2HA GLY 663 2.558 0.371 10.581 564 H TYR 664 H TYR 664 4.601 -0.221 7.712 565 HA TYR 664 HA TYR 664 5.005 2.660 7.459 566 1HB TYR 664 1HB TYR 664 6.274 0.473 5.808 567 2HB TYR 664 2HB TYR 664 6.809 2.142 5.968 568 HD1 TYR 664 HD1 TYR 664 7.200 -1.178 7.158 569 HD2 TYR 664 HD2 TYR 664 7.544 2.895 8.337 570 HE1 TYR 664 HE1 TYR 664 8.684 -1.845 9.003 571 HE2 TYR 664 HE2 TYR 664 9.029 2.241 10.185 572 HH TYR 664 HH TYR 664 10.530 -0.693 10.388 573 H THR 665 H THR 665 4.330 3.854 5.728 574 HA THR 665 HA THR 665 2.085 2.908 4.255 575 HB THR 665 HB THR 665 2.085 5.084 3.175 576 HG1 THR 665 HG1 THR 665 4.657 4.972 3.397 577 1HG2 THR 665 1HG2 THR 665 2.457 4.855 6.104 578 2HG2 THR 665 2HG2 THR 665 2.511 6.482 5.426 579 3HG2 THR 665 3HG2 THR 665 1.087 5.472 5.182 580 H LEU 666 H LEU 666 2.204 3.667 1.717 581 HA LEU 666 HA LEU 666 3.885 1.704 0.498 582 1HB LEU 666 1HB LEU 666 2.239 3.893 -0.780 583 2HB LEU 666 2HB LEU 666 3.009 2.578 -1.643 584 HG LEU 666 HG LEU 666 0.728 1.998 -1.485 585 1HD1 LEU 666 1HD1 LEU 666 2.584 0.518 0.265 586 2HD1 LEU 666 2HD1 LEU 666 0.870 0.176 0.494 587 3HD1 LEU 666 3HD1 LEU 666 1.609 -0.038 -1.094 588 1HD2 LEU 666 1HD2 LEU 666 0.977 3.125 1.243 589 2HD2 LEU 666 2HD2 LEU 666 -0.310 3.309 0.051 590 3HD2 LEU 666 3HD2 LEU 666 -0.191 1.826 1.000 591 H LYS 667 H LYS 667 4.093 5.105 1.106 592 HA LYS 667 HA LYS 667 6.076 5.802 -0.760 593 1HB LYS 667 1HB LYS 667 4.692 7.394 0.623 594 2HB LYS 667 2HB LYS 667 5.712 6.987 1.997 595 1HG LYS 667 1HG LYS 667 6.805 8.841 1.308 596 2HG LYS 667 2HG LYS 667 7.621 7.668 0.273 597 1HD LYS 667 1HD LYS 667 5.381 8.345 -1.184 598 2HD LYS 667 2HD LYS 667 5.847 9.871 -0.429 599 1HE LYS 667 1HE LYS 667 7.562 10.104 -1.825 600 2HE LYS 667 2HE LYS 667 8.168 8.497 -1.423 601 1HZ LYS 667 1HZ LYS 667 6.613 7.569 -3.047 602 2HZ LYS 667 2HZ LYS 667 6.097 9.127 -3.456 603 3HZ LYS 667 3HZ LYS 667 7.692 8.655 -3.768 604 H VAL 668 H VAL 668 6.209 4.565 2.534 605 HA VAL 668 HA VAL 668 9.091 4.513 2.611 606 HB VAL 668 HB VAL 668 7.085 3.259 4.496 607 1HG1 VAL 668 1HG1 VAL 668 9.913 2.993 4.305 608 2HG1 VAL 668 2HG1 VAL 668 9.528 3.899 5.769 609 3HG1 VAL 668 3HG1 VAL 668 8.816 2.309 5.504 610 1HG2 VAL 668 1HG2 VAL 668 8.237 5.986 4.286 611 2HG2 VAL 668 2HG2 VAL 668 6.637 5.470 4.821 612 3HG2 VAL 668 3HG2 VAL 668 8.024 5.304 5.898 613 H LEU 669 H LEU 669 6.445 2.305 1.984 614 HA LEU 669 HA LEU 669 7.888 -0.114 2.071 615 1HB LEU 669 1HB LEU 669 5.252 0.761 1.345 616 2HB LEU 669 2HB LEU 669 5.856 -0.339 0.120 617 HG LEU 669 HG LEU 669 6.356 -1.977 1.967 618 1HD1 LEU 669 1HD1 LEU 669 6.398 -0.353 3.807 619 2HD1 LEU 669 2HD1 LEU 669 4.668 -0.084 3.593 620 3HD1 LEU 669 3HD1 LEU 669 5.257 -1.664 4.103 621 1HD2 LEU 669 1HD2 LEU 669 4.056 -1.508 0.561 622 2HD2 LEU 669 2HD2 LEU 669 4.375 -2.930 1.555 623 3HD2 LEU 669 3HD2 LEU 669 3.478 -1.567 2.226 624 H MET 670 H MET 670 7.488 2.346 -0.383 625 HA MET 670 HA MET 670 8.741 0.725 -2.435 626 1HB MET 670 1HB MET 670 8.428 2.570 -3.907 627 2HB MET 670 2HB MET 670 6.973 2.455 -2.931 628 1HG MET 670 1HG MET 670 7.458 4.373 -1.743 629 2HG MET 670 2HG MET 670 9.178 4.293 -2.121 630 1HE MET 670 1HE MET 670 5.831 4.165 -4.059 631 2HE MET 670 2HE MET 670 6.144 5.180 -5.467 632 3HE MET 670 3HE MET 670 6.958 3.623 -5.304 633 H GLU 671 H GLU 671 9.702 2.623 0.150 634 HA GLU 671 HA GLU 671 12.272 3.375 -0.999 635 1HB GLU 671 1HB GLU 671 10.903 4.862 0.573 636 2HB GLU 671 2HB GLU 671 11.392 3.766 1.857 637 1HG GLU 671 1HG GLU 671 13.627 4.693 0.243 638 2HG GLU 671 2HG GLU 671 12.749 6.001 1.034 639 H ASN 672 H ASN 672 10.825 0.958 0.997 640 HA ASN 672 HA ASN 672 13.356 0.015 2.051 641 1HB ASN 672 1HB ASN 672 10.539 -1.056 2.329 642 2HB ASN 672 2HB ASN 672 11.950 -1.746 3.125 643 2HD2 ASN 672 2HD2 ASN 672 9.563 -0.645 4.311 644 1HD2 ASN 672 1HD2 ASN 672 10.071 0.654 5.329 645 H LYS 673 H LYS 673 10.728 -1.849 0.541 646 HA LYS 673 HA LYS 673 11.940 -2.664 -1.788 647 1HB LYS 673 1HB LYS 673 12.829 -4.915 -1.194 648 2HB LYS 673 2HB LYS 673 13.777 -3.589 -0.539 649 1HG LYS 673 1HG LYS 673 11.802 -4.319 1.376 650 2HG LYS 673 2HG LYS 673 12.634 -5.775 0.831 651 1HD LYS 673 1HD LYS 673 14.708 -5.013 1.557 652 2HD LYS 673 2HD LYS 673 14.188 -3.326 1.577 653 1HE LYS 673 1HE LYS 673 12.656 -3.903 3.462 654 2HE LYS 673 2HE LYS 673 13.384 -5.509 3.495 655 1HZ LYS 673 1HZ LYS 673 15.573 -4.250 3.755 656 2HZ LYS 673 2HZ LYS 673 14.620 -2.913 4.164 657 3HZ LYS 673 3HZ LYS 673 14.546 -4.323 5.096 658 H PHE 674 H PHE 674 9.741 -3.173 0.769 659 HA PHE 674 HA PHE 674 8.438 -5.511 0.009 660 1HB PHE 674 1HB PHE 674 7.028 -3.122 1.180 661 2HB PHE 674 2HB PHE 674 6.643 -4.826 1.398 662 HD1 PHE 674 HD1 PHE 674 7.697 -2.182 3.164 663 HD2 PHE 674 HD2 PHE 674 9.045 -6.098 2.178 664 HE1 PHE 674 HE1 PHE 674 9.061 -2.226 5.213 665 HE2 PHE 674 HE2 PHE 674 10.409 -6.148 4.223 666 HZ PHE 674 HZ PHE 674 10.410 -4.194 5.749 667 H LEU 675 H LEU 675 8.534 -2.532 -1.648 668 HA LEU 675 HA LEU 675 6.014 -3.047 -3.034 669 1HB LEU 675 1HB LEU 675 7.276 -0.712 -2.281 670 2HB LEU 675 2HB LEU 675 7.609 -0.802 -4.001 671 HG LEU 675 HG LEU 675 4.802 -1.267 -3.153 672 1HD1 LEU 675 1HD1 LEU 675 5.647 0.674 -1.789 673 2HD1 LEU 675 2HD1 LEU 675 5.922 1.519 -3.312 674 3HD1 LEU 675 3HD1 LEU 675 4.290 1.025 -2.861 675 1HD2 LEU 675 1HD2 LEU 675 5.573 -1.360 -5.511 676 2HD2 LEU 675 2HD2 LEU 675 4.321 -0.150 -5.224 677 3HD2 LEU 675 3HD2 LEU 675 6.005 0.346 -5.398 678 HA PRO 676 HA PRO 676 8.006 -5.246 -6.337 679 1HB PRO 676 1HB PRO 676 5.736 -4.245 -7.960 680 2HB PRO 676 2HB PRO 676 6.266 -5.904 -7.671 681 1HG PRO 676 1HG PRO 676 4.065 -4.949 -6.509 682 2HG PRO 676 2HG PRO 676 5.156 -6.045 -5.640 683 1HD PRO 676 1HD PRO 676 4.868 -3.076 -5.404 684 2HD PRO 676 2HD PRO 676 5.124 -4.287 -4.132 685 H GLU 677 H GLU 677 6.709 -1.995 -6.899 686 HA GLU 677 HA GLU 677 8.907 -1.533 -8.807 687 1HB GLU 677 1HB GLU 677 7.358 0.348 -9.650 688 2HB GLU 677 2HB GLU 677 6.971 -1.309 -10.092 689 1HG GLU 677 1HG GLU 677 5.135 -1.398 -8.710 690 2HG GLU 677 2HG GLU 677 5.733 -0.116 -7.658 691 HA PRO 678 HA PRO 678 9.543 1.406 -5.313 692 1HB PRO 678 1HB PRO 678 11.949 0.592 -4.496 693 2HB PRO 678 2HB PRO 678 10.485 -0.284 -4.033 694 1HG PRO 678 1HG PRO 678 12.530 -0.961 -6.095 695 2HG PRO 678 2HG PRO 678 11.629 -2.034 -5.011 696 1HD PRO 678 1HD PRO 678 11.016 -1.518 -7.693 697 2HD PRO 678 2HD PRO 678 9.933 -2.260 -6.503 698 HA PRO 679 HA PRO 679 12.071 3.628 -8.397 699 1HB PRO 679 1HB PRO 679 10.839 5.988 -8.220 700 2HB PRO 679 2HB PRO 679 10.083 4.632 -9.066 701 1HG PRO 679 1HG PRO 679 9.554 5.681 -6.316 702 2HG PRO 679 2HG PRO 679 8.402 5.124 -7.543 703 1HD PRO 679 1HD PRO 679 9.296 3.601 -5.415 704 2HD PRO 679 2HD PRO 679 8.621 2.942 -6.916 705 H SER 680 H SER 680 12.044 3.533 -5.165 706 HA SER 680 HA SER 680 13.208 5.997 -4.398 707 1HB SER 680 1HB SER 680 12.112 4.029 -2.988 708 2HB SER 680 2HB SER 680 13.794 3.505 -2.861 709 HG SER 680 HG SER 680 12.648 5.949 -2.013 710 H THR 681 H THR 681 15.170 3.420 -3.323 711 HA THR 681 HA THR 681 17.397 2.996 -3.532 712 HB THR 681 HB THR 681 17.541 3.680 -6.395 713 HG1 THR 681 HG1 THR 681 16.189 1.793 -6.876 714 1HG2 THR 681 1HG2 THR 681 19.205 2.318 -5.097 715 2HG2 THR 681 2HG2 THR 681 17.977 1.059 -4.970 716 3HG2 THR 681 3HG2 THR 681 18.588 1.538 -6.553 717 H ARG 682 H ARG 682 16.418 5.855 -3.228 718 HA ARG 682 HA ARG 682 19.026 7.077 -3.501 719 1HB ARG 682 1HB ARG 682 16.750 7.761 -5.257 720 2HB ARG 682 2HB ARG 682 17.588 9.129 -4.538 721 1HG ARG 682 1HG ARG 682 19.444 8.817 -5.778 722 2HG ARG 682 2HG ARG 682 19.305 7.058 -5.739 723 1HD ARG 682 1HD ARG 682 18.937 7.680 -7.983 724 2HD ARG 682 2HD ARG 682 17.346 7.313 -7.321 725 HE ARG 682 HE ARG 682 18.388 9.984 -7.947 726 1HH1 ARG 682 1HH1 ARG 682 15.749 7.905 -7.018 727 2HH1 ARG 682 2HH1 ARG 682 14.535 9.111 -7.291 728 1HH2 ARG 682 1HH2 ARG 682 16.796 11.574 -8.308 729 2HH2 ARG 682 2HH2 ARG 682 15.131 11.195 -8.024 730 H LYS 683 H LYS 683 18.558 9.629 -2.902 731 HA LYS 683 HA LYS 683 17.711 9.501 -0.174 732 1HB LYS 683 1HB LYS 683 19.155 11.348 -1.872 733 2HB LYS 683 2HB LYS 683 17.985 12.198 -0.870 734 1HG LYS 683 1HG LYS 683 18.949 11.244 1.130 735 2HG LYS 683 2HG LYS 683 20.067 10.282 0.161 736 1HD LYS 683 1HD LYS 683 20.039 13.232 -0.226 737 2HD LYS 683 2HD LYS 683 20.793 12.587 1.233 738 1HE LYS 683 1HE LYS 683 21.699 11.000 -0.908 739 2HE LYS 683 2HE LYS 683 21.809 12.675 -1.446 740 1HZ LYS 683 1HZ LYS 683 22.957 11.613 1.078 741 2HZ LYS 683 2HZ LYS 683 23.832 11.936 -0.334 742 3HZ LYS 683 3HZ LYS 683 23.096 13.200 0.513 743 H LYS 684 H LYS 684 16.387 10.843 -3.152 744 HA LYS 684 HA LYS 684 14.351 11.705 -3.685 745 1HB LYS 684 1HB LYS 684 13.728 9.394 -2.877 746 2HB LYS 684 2HB LYS 684 13.325 10.121 -1.329 747 1HG LYS 684 1HG LYS 684 11.284 9.963 -2.426 748 2HG LYS 684 2HG LYS 684 11.761 11.645 -2.665 749 1HD LYS 684 1HD LYS 684 12.895 10.409 -4.827 750 2HD LYS 684 2HD LYS 684 11.399 9.496 -4.617 751 1HE LYS 684 1HE LYS 684 10.619 11.177 -5.942 752 2HE LYS 684 2HE LYS 684 10.383 11.926 -4.364 753 1HZ LYS 684 1HZ LYS 684 12.905 12.320 -5.836 754 2HZ LYS 684 2HZ LYS 684 11.547 13.255 -6.211 755 3HZ LYS 684 3HZ LYS 684 12.200 13.300 -4.651 756 H VAL 685 H VAL 685 15.162 13.798 -2.987 757 HA VAL 685 HA VAL 685 14.926 15.808 -1.960 758 HB VAL 685 HB VAL 685 12.407 14.712 -0.713 759 1HG1 VAL 685 1HG1 VAL 685 13.171 16.876 0.138 760 2HG1 VAL 685 2HG1 VAL 685 13.211 17.509 -1.508 761 3HG1 VAL 685 3HG1 VAL 685 11.675 17.039 -0.782 762 1HG2 VAL 685 1HG2 VAL 685 13.044 15.270 -3.515 763 2HG2 VAL 685 2HG2 VAL 685 11.727 14.327 -2.815 764 3HG2 VAL 685 3HG2 VAL 685 11.593 16.083 -2.928 765 H THR 686 H THR 686 13.226 14.144 0.640 766 HA THR 686 HA THR 686 15.596 14.058 2.309 767 HB THR 686 HB THR 686 14.929 16.354 2.674 768 HG1 THR 686 HG1 THR 686 15.370 15.981 4.702 769 1HG2 THR 686 1HG2 THR 686 12.210 15.220 3.338 770 2HG2 THR 686 2HG2 THR 686 12.701 16.890 3.616 771 3HG2 THR 686 3HG2 THR 686 12.614 16.260 1.972 772 H ILE 687 H ILE 687 12.475 13.065 1.465 773 HA ILE 687 HA ILE 687 11.556 11.879 3.836 774 HB ILE 687 HB ILE 687 11.073 10.938 1.005 775 1HG1 ILE 687 1HG1 ILE 687 10.469 13.300 1.308 776 2HG1 ILE 687 2HG1 ILE 687 9.033 12.302 1.104 777 1HG2 ILE 687 1HG2 ILE 687 10.227 9.921 3.553 778 2HG2 ILE 687 2HG2 ILE 687 8.834 10.467 2.620 779 3HG2 ILE 687 3HG2 ILE 687 9.938 9.274 1.937 780 1HD1 ILE 687 1HD1 ILE 687 9.189 12.308 3.774 781 2HD1 ILE 687 2HD1 ILE 687 9.947 13.863 3.429 782 3HD1 ILE 687 3HD1 ILE 687 8.316 13.529 2.848 783 H LYS 688 H LYS 688 12.122 10.097 4.907 784 HA LYS 688 HA LYS 688 13.397 7.863 3.617 785 1HB LYS 688 1HB LYS 688 15.375 7.951 5.223 786 2HB LYS 688 2HB LYS 688 15.398 9.082 3.877 787 1HG LYS 688 1HG LYS 688 14.314 10.722 5.574 788 2HG LYS 688 2HG LYS 688 14.956 9.607 6.781 789 1HD LYS 688 1HD LYS 688 17.190 9.933 5.994 790 2HD LYS 688 2HD LYS 688 16.621 10.845 4.594 791 1HE LYS 688 1HE LYS 688 17.479 12.388 6.220 792 2HE LYS 688 2HE LYS 688 15.725 12.562 6.149 793 1HZ LYS 688 1HZ LYS 688 15.719 10.949 8.106 794 2HZ LYS 688 2HZ LYS 688 17.365 11.305 8.260 795 3HZ LYS 688 3HZ LYS 688 16.215 12.538 8.407 No H/Q in entry = 795 Start of MODEL 4 1 H1 MET 594 H1 MET 594 15.637 -8.725 2.330 2 H2 MET 594 H2 MET 594 16.192 -9.706 3.592 3 H3 MET 594 H3 MET 594 16.273 -10.255 1.995 4 HA MET 594 HA MET 594 13.992 -10.559 1.821 5 1HB MET 594 1HB MET 594 13.469 -11.993 3.766 6 2HB MET 594 2HB MET 594 15.092 -12.275 3.149 7 1HG MET 594 1HG MET 594 16.086 -11.143 4.959 8 2HG MET 594 2HG MET 594 14.546 -10.454 5.471 9 1HE MET 594 1HE MET 594 12.491 -12.424 5.526 10 2HE MET 594 2HE MET 594 12.651 -13.510 6.907 11 3HE MET 594 3HE MET 594 12.819 -11.768 7.130 12 H ASP 595 H ASP 595 12.075 -10.784 3.806 13 HA ASP 595 HA ASP 595 11.092 -8.104 3.920 14 1HB ASP 595 1HB ASP 595 9.728 -10.062 5.626 15 2HB ASP 595 2HB ASP 595 9.090 -9.063 4.324 16 H GLU 596 H GLU 596 10.354 -7.041 5.909 17 HA GLU 596 HA GLU 596 12.328 -7.406 8.051 18 1HB GLU 596 1HB GLU 596 10.903 -5.079 6.917 19 2HB GLU 596 2HB GLU 596 11.107 -5.066 8.664 20 1HG GLU 596 1HG GLU 596 13.288 -4.628 8.526 21 2HG GLU 596 2HG GLU 596 13.533 -5.781 7.214 22 H ASN 597 H ASN 597 9.249 -5.769 8.404 23 HA ASN 597 HA ASN 597 8.539 -7.687 10.509 24 1HB ASN 597 1HB ASN 597 7.065 -5.817 11.335 25 2HB ASN 597 2HB ASN 597 8.790 -5.489 11.411 26 2HD2 ASN 597 2HD2 ASN 597 9.641 -4.407 9.365 27 1HD2 ASN 597 1HD2 ASN 597 8.684 -3.107 8.756 28 H ILE 598 H ILE 598 7.555 -6.322 7.497 29 HA ILE 598 HA ILE 598 4.975 -7.735 7.692 30 HB ILE 598 HB ILE 598 5.573 -5.503 5.758 31 1HG1 ILE 598 1HG1 ILE 598 5.802 -4.531 7.950 32 2HG1 ILE 598 2HG1 ILE 598 4.236 -4.054 7.303 33 1HG2 ILE 598 1HG2 ILE 598 3.540 -7.341 5.827 34 2HG2 ILE 598 2HG2 ILE 598 2.831 -5.946 6.640 35 3HG2 ILE 598 3HG2 ILE 598 3.487 -5.778 5.011 36 1HD1 ILE 598 1HD1 ILE 598 3.622 -6.335 8.672 37 2HD1 ILE 598 2HD1 ILE 598 4.893 -5.624 9.667 38 3HD1 ILE 598 3HD1 ILE 598 3.445 -4.690 9.285 39 H ASN 599 H ASN 599 5.255 -9.664 6.769 40 HA ASN 599 HA ASN 599 7.103 -10.240 4.722 41 1HB ASN 599 1HB ASN 599 4.630 -11.879 5.208 42 2HB ASN 599 2HB ASN 599 6.240 -12.421 4.744 43 2HD2 ASN 599 2HD2 ASN 599 4.229 -11.314 7.358 44 1HD2 ASN 599 1HD2 ASN 599 5.266 -11.829 8.639 45 H PHE 600 H PHE 600 7.026 -9.811 2.639 46 HA PHE 600 HA PHE 600 4.512 -8.936 1.436 47 1HB PHE 600 1HB PHE 600 7.021 -7.906 1.278 48 2HB PHE 600 2HB PHE 600 6.985 -8.899 -0.176 49 HD1 PHE 600 HD1 PHE 600 5.728 -8.260 -2.070 50 HD2 PHE 600 HD2 PHE 600 5.355 -6.091 1.572 51 HE1 PHE 600 HE1 PHE 600 4.491 -6.493 -3.254 52 HE2 PHE 600 HE2 PHE 600 4.118 -4.319 0.395 53 HZ PHE 600 HZ PHE 600 3.698 -4.506 -2.014 54 H LYS 601 H LYS 601 6.176 -11.759 1.795 55 HA LYS 601 HA LYS 601 5.810 -12.823 -0.864 56 1HB LYS 601 1HB LYS 601 7.045 -13.716 1.650 57 2HB LYS 601 2HB LYS 601 6.309 -14.995 0.692 58 1HG LYS 601 1HG LYS 601 8.285 -13.015 -0.409 59 2HG LYS 601 2HG LYS 601 8.724 -14.594 0.237 60 1HD LYS 601 1HD LYS 601 8.275 -15.519 -1.732 61 2HD LYS 601 2HD LYS 601 6.599 -14.989 -1.588 62 1HE LYS 601 1HE LYS 601 8.701 -14.014 -3.314 63 2HE LYS 601 2HE LYS 601 6.965 -13.718 -3.379 64 1HZ LYS 601 1HZ LYS 601 7.254 -11.978 -1.706 65 2HZ LYS 601 2HZ LYS 601 8.924 -12.247 -1.698 66 3HZ LYS 601 3HZ LYS 601 8.170 -11.661 -3.093 67 H GLN 602 H GLN 602 3.715 -12.145 1.554 68 HA GLN 602 HA GLN 602 2.130 -14.547 1.513 69 1HB GLN 602 1HB GLN 602 1.452 -11.789 2.552 70 2HB GLN 602 2HB GLN 602 0.535 -13.257 2.862 71 1HG GLN 602 1HG GLN 602 3.345 -12.675 3.763 72 2HG GLN 602 2HG GLN 602 1.899 -12.709 4.771 73 2HE2 GLN 602 2HE2 GLN 602 4.200 -14.611 2.984 74 1HE2 GLN 602 1HE2 GLN 602 3.787 -16.137 3.681 75 H SER 603 H SER 603 -0.417 -13.884 1.225 76 HA SER 603 HA SER 603 -0.588 -12.924 -1.551 77 1HB SER 603 1HB SER 603 -2.970 -14.288 -0.807 78 2HB SER 603 2HB SER 603 -1.746 -14.796 -1.969 79 HG SER 603 HG SER 603 -1.660 -15.270 0.830 80 H GLU 604 H GLU 604 -1.340 -12.142 1.620 81 HA GLU 604 HA GLU 604 -3.156 -10.036 0.713 82 1HB GLU 604 1HB GLU 604 -3.711 -11.969 2.963 83 2HB GLU 604 2HB GLU 604 -4.550 -10.433 2.793 84 1HG GLU 604 1HG GLU 604 -5.177 -11.227 0.456 85 2HG GLU 604 2HG GLU 604 -4.643 -12.821 0.987 86 H LEU 605 H LEU 605 -2.120 -8.230 1.207 87 HA LEU 605 HA LEU 605 -0.480 -8.112 3.628 88 1HB LEU 605 1HB LEU 605 0.092 -7.307 1.121 89 2HB LEU 605 2HB LEU 605 -0.579 -5.818 1.759 90 HG LEU 605 HG LEU 605 1.902 -5.972 1.913 91 1HD1 LEU 605 1HD1 LEU 605 0.077 -5.002 3.762 92 2HD1 LEU 605 2HD1 LEU 605 1.278 -5.857 4.731 93 3HD1 LEU 605 3HD1 LEU 605 1.783 -4.574 3.632 94 1HD2 LEU 605 1HD2 LEU 605 1.276 -8.511 3.056 95 2HD2 LEU 605 2HD2 LEU 605 2.853 -7.835 2.647 96 3HD2 LEU 605 3HD2 LEU 605 2.154 -7.544 4.240 97 HA PRO 606 HA PRO 606 -3.789 -5.846 5.602 98 1HB PRO 606 1HB PRO 606 -2.423 -5.148 7.849 99 2HB PRO 606 2HB PRO 606 -3.086 -6.765 7.587 100 1HG PRO 606 1HG PRO 606 -0.284 -5.782 7.208 101 2HG PRO 606 2HG PRO 606 -0.851 -7.297 7.936 102 1HD PRO 606 1HD PRO 606 0.086 -7.168 5.403 103 2HD PRO 606 2HD PRO 606 -1.190 -8.302 5.889 104 H VAL 607 H VAL 607 -4.358 -3.847 5.020 105 HA VAL 607 HA VAL 607 -2.288 -1.750 4.972 106 HB VAL 607 HB VAL 607 -4.282 -0.675 3.481 107 1HG1 VAL 607 1HG1 VAL 607 -1.893 -0.772 2.929 108 2HG1 VAL 607 2HG1 VAL 607 -2.086 -2.454 2.431 109 3HG1 VAL 607 3HG1 VAL 607 -2.910 -1.170 1.544 110 1HG2 VAL 607 1HG2 VAL 607 -4.449 -3.647 3.189 111 2HG2 VAL 607 2HG2 VAL 607 -5.748 -2.459 3.294 112 3HG2 VAL 607 3HG2 VAL 607 -4.791 -2.591 1.818 113 H THR 608 H THR 608 -2.904 0.373 5.623 114 HA THR 608 HA THR 608 -5.412 0.603 7.112 115 HB THR 608 HB THR 608 -4.131 1.741 8.983 116 HG1 THR 608 HG1 THR 608 -2.066 0.954 7.388 117 1HG2 THR 608 1HG2 THR 608 -5.120 -0.652 8.933 118 2HG2 THR 608 2HG2 THR 608 -3.437 -1.171 8.826 119 3HG2 THR 608 3HG2 THR 608 -3.984 -0.230 10.214 120 H CYS 609 H CYS 609 -6.267 2.214 5.914 121 HA CYS 609 HA CYS 609 -4.628 4.612 5.461 122 1HB CYS 609 1HB CYS 609 -5.455 3.697 3.404 123 2HB CYS 609 2HB CYS 609 -7.088 3.583 4.049 124 HG CYS 609 HG CYS 609 -6.284 6.694 4.336 125 H GLY 610 H GLY 610 -4.920 5.953 7.137 126 1HA GLY 610 1HA GLY 610 -7.309 7.359 7.496 127 2HA GLY 610 2HA GLY 610 -5.960 7.356 8.624 128 H GLU 611 H GLU 611 -5.848 4.910 9.632 129 HA GLU 611 HA GLU 611 -6.714 3.613 11.288 130 1HB GLU 611 1HB GLU 611 -9.111 5.450 11.246 131 2HB GLU 611 2HB GLU 611 -8.640 4.358 12.540 132 1HG GLU 611 1HG GLU 611 -6.637 6.358 11.744 133 2HG GLU 611 2HG GLU 611 -8.089 6.978 12.526 134 H VAL 612 H VAL 612 -7.951 3.926 8.281 135 HA VAL 612 HA VAL 612 -10.125 1.999 8.597 136 HB VAL 612 HB VAL 612 -9.140 3.484 6.155 137 1HG1 VAL 612 1HG1 VAL 612 -10.133 1.335 5.548 138 2HG1 VAL 612 2HG1 VAL 612 -11.572 1.726 6.490 139 3HG1 VAL 612 3HG1 VAL 612 -11.173 2.673 5.057 140 1HG2 VAL 612 1HG2 VAL 612 -11.387 3.947 8.086 141 2HG2 VAL 612 2HG2 VAL 612 -10.157 5.076 7.520 142 3HG2 VAL 612 3HG2 VAL 612 -11.454 4.570 6.438 143 H LYS 613 H LYS 613 -9.244 0.006 8.933 144 HA LYS 613 HA LYS 613 -6.945 -0.913 7.484 145 1HB LYS 613 1HB LYS 613 -8.139 -1.626 9.853 146 2HB LYS 613 2HB LYS 613 -8.585 -2.958 8.795 147 1HG LYS 613 1HG LYS 613 -6.104 -3.064 8.183 148 2HG LYS 613 2HG LYS 613 -5.848 -2.041 9.598 149 1HD LYS 613 1HD LYS 613 -7.538 -4.057 10.493 150 2HD LYS 613 2HD LYS 613 -6.385 -4.878 9.440 151 1HE LYS 613 1HE LYS 613 -4.879 -3.079 10.968 152 2HE LYS 613 2HE LYS 613 -6.013 -3.827 12.092 153 1HZ LYS 613 1HZ LYS 613 -5.269 -6.010 11.197 154 2HZ LYS 613 2HZ LYS 613 -4.061 -5.202 10.331 155 3HZ LYS 613 3HZ LYS 613 -4.064 -5.158 12.022 156 H GLY 614 H GLY 614 -6.886 -2.741 6.079 157 1HA GLY 614 1HA GLY 614 -8.438 -2.668 3.861 158 2HA GLY 614 2HA GLY 614 -9.304 -3.773 4.920 159 H THR 615 H THR 615 -8.795 -5.212 3.025 160 HA THR 615 HA THR 615 -6.254 -6.590 3.554 161 HB THR 615 HB THR 615 -7.900 -8.170 1.871 162 HG1 THR 615 HG1 THR 615 -9.260 -6.941 4.042 163 1HG2 THR 615 1HG2 THR 615 -6.444 -8.358 4.323 164 2HG2 THR 615 2HG2 THR 615 -8.023 -9.114 4.534 165 3HG2 THR 615 3HG2 THR 615 -6.956 -9.651 3.238 166 H LEU 616 H LEU 616 -4.680 -6.393 2.124 167 HA LEU 616 HA LEU 616 -5.282 -5.394 -0.554 168 1HB LEU 616 1HB LEU 616 -3.592 -4.202 0.709 169 2HB LEU 616 2HB LEU 616 -2.680 -5.681 0.945 170 HG LEU 616 HG LEU 616 -3.167 -4.933 -1.867 171 1HD1 LEU 616 1HD1 LEU 616 -2.553 -2.839 -0.298 172 2HD1 LEU 616 2HD1 LEU 616 -0.936 -3.469 -0.616 173 3HD1 LEU 616 3HD1 LEU 616 -1.985 -3.014 -1.959 174 1HD2 LEU 616 1HD2 LEU 616 -1.806 -6.867 -1.142 175 2HD2 LEU 616 2HD2 LEU 616 -0.900 -5.711 -2.115 176 3HD2 LEU 616 3HD2 LEU 616 -0.684 -5.750 -0.366 177 H TYR 617 H TYR 617 -5.171 -6.613 -2.326 178 HA TYR 617 HA TYR 617 -4.328 -9.395 -2.060 179 1HB TYR 617 1HB TYR 617 -6.028 -7.879 -4.002 180 2HB TYR 617 2HB TYR 617 -5.288 -9.391 -4.515 181 HD1 TYR 617 HD1 TYR 617 -7.490 -7.919 -1.906 182 HD2 TYR 617 HD2 TYR 617 -6.273 -11.442 -3.957 183 HE1 TYR 617 HE1 TYR 617 -9.320 -9.166 -0.837 184 HE2 TYR 617 HE2 TYR 617 -8.101 -12.699 -2.894 185 HH TYR 617 HH TYR 617 -10.602 -11.132 -1.089 186 H LYS 618 H LYS 618 -2.439 -10.111 -2.795 187 HA LYS 618 HA LYS 618 -0.541 -8.366 -3.979 188 1HB LYS 618 1HB LYS 618 -0.608 -11.101 -2.975 189 2HB LYS 618 2HB LYS 618 0.408 -10.938 -4.400 190 1HG LYS 618 1HG LYS 618 1.921 -10.518 -2.741 191 2HG LYS 618 2HG LYS 618 1.374 -8.879 -3.104 192 1HD LYS 618 1HD LYS 618 -0.300 -9.130 -1.251 193 2HD LYS 618 2HD LYS 618 0.497 -10.646 -0.826 194 1HE LYS 618 1HE LYS 618 1.307 -8.810 0.559 195 2HE LYS 618 2HE LYS 618 2.593 -9.451 -0.463 196 1HZ LYS 618 1HZ LYS 618 0.997 -7.037 -1.124 197 2HZ LYS 618 2HZ LYS 618 2.510 -6.993 -0.366 198 3HZ LYS 618 3HZ LYS 618 2.368 -7.606 -1.936 199 H GLU 619 H GLU 619 -2.713 -10.808 -5.254 200 HA GLU 619 HA GLU 619 -1.615 -11.190 -7.776 201 1HB GLU 619 1HB GLU 619 -3.837 -11.900 -8.481 202 2HB GLU 619 2HB GLU 619 -3.466 -12.530 -6.882 203 1HG GLU 619 1HG GLU 619 -4.942 -11.060 -5.830 204 2HG GLU 619 2HG GLU 619 -5.031 -10.001 -7.237 205 H ARG 620 H ARG 620 -3.136 -8.402 -6.483 206 HA ARG 620 HA ARG 620 -3.298 -7.227 -9.180 207 1HB ARG 620 1HB ARG 620 -5.065 -7.000 -6.806 208 2HB ARG 620 2HB ARG 620 -4.824 -5.541 -7.758 209 1HG ARG 620 1HG ARG 620 -5.796 -6.474 -9.658 210 2HG ARG 620 2HG ARG 620 -5.611 -8.122 -9.055 211 1HD ARG 620 1HD ARG 620 -7.201 -7.361 -7.168 212 2HD ARG 620 2HD ARG 620 -7.594 -6.025 -8.250 213 HE ARG 620 HE ARG 620 -8.113 -8.872 -8.762 214 1HH1 ARG 620 1HH1 ARG 620 -8.570 -5.511 -9.565 215 2HH1 ARG 620 2HH1 ARG 620 -9.861 -5.820 -10.677 216 1HH2 ARG 620 1HH2 ARG 620 -9.811 -9.287 -10.225 217 2HH2 ARG 620 2HH2 ARG 620 -10.566 -7.966 -11.052 218 H PHE 621 H PHE 621 -2.039 -6.920 -5.962 219 HA PHE 621 HA PHE 621 -1.256 -4.197 -6.131 220 1HB PHE 621 1HB PHE 621 -1.490 -5.659 -4.019 221 2HB PHE 621 2HB PHE 621 0.138 -6.217 -4.396 222 HD1 PHE 621 HD1 PHE 621 -1.373 -2.830 -4.712 223 HD2 PHE 621 HD2 PHE 621 1.520 -5.286 -2.786 224 HE1 PHE 621 HE1 PHE 621 -0.440 -0.848 -3.590 225 HE2 PHE 621 HE2 PHE 621 2.457 -3.309 -1.660 226 HZ PHE 621 HZ PHE 621 1.483 -1.086 -2.070 227 H LYS 622 H LYS 622 -0.029 -7.002 -7.583 228 HA LYS 622 HA LYS 622 2.698 -6.678 -7.649 229 1HB LYS 622 1HB LYS 622 0.797 -7.611 -9.793 230 2HB LYS 622 2HB LYS 622 2.544 -7.666 -9.995 231 1HG LYS 622 1HG LYS 622 1.018 -9.037 -7.794 232 2HG LYS 622 2HG LYS 622 1.588 -9.814 -9.273 233 1HD LYS 622 1HD LYS 622 3.745 -8.393 -8.026 234 2HD LYS 622 2HD LYS 622 2.982 -9.468 -6.852 235 1HE LYS 622 1HE LYS 622 3.123 -11.238 -8.720 236 2HE LYS 622 2HE LYS 622 4.288 -10.145 -9.463 237 1HZ LYS 622 1HZ LYS 622 4.653 -10.857 -6.645 238 2HZ LYS 622 2HZ LYS 622 5.045 -12.013 -7.816 239 3HZ LYS 622 3HZ LYS 622 5.811 -10.504 -7.826 240 H GLN 623 H GLN 623 0.349 -4.546 -8.905 241 HA GLN 623 HA GLN 623 2.422 -3.110 -10.430 242 1HB GLN 623 1HB GLN 623 0.275 -2.005 -11.477 243 2HB GLN 623 2HB GLN 623 0.866 -3.551 -12.067 244 1HG GLN 623 1HG GLN 623 -1.022 -3.786 -9.855 245 2HG GLN 623 2HG GLN 623 -1.694 -3.016 -11.292 246 2HE2 GLN 623 2HE2 GLN 623 -0.264 -5.915 -9.992 247 1HE2 GLN 623 1HE2 GLN 623 -0.751 -6.969 -11.272 248 H GLY 624 H GLY 624 0.356 -3.057 -7.746 249 1HA GLY 624 1HA GLY 624 1.247 -0.386 -7.050 250 2HA GLY 624 2HA GLY 624 0.365 -1.499 -6.014 251 H THR 625 H THR 625 0.151 1.398 -7.471 252 HA THR 625 HA THR 625 -2.681 1.565 -7.070 253 HB THR 625 HB THR 625 -1.246 3.452 -6.493 254 HG1 THR 625 HG1 THR 625 -2.647 4.955 -7.238 255 1HG2 THR 625 1HG2 THR 625 -0.280 3.060 -9.214 256 2HG2 THR 625 2HG2 THR 625 -0.675 4.743 -8.865 257 3HG2 THR 625 3HG2 THR 625 0.482 3.880 -7.852 258 H SER 626 H SER 626 -2.236 -0.315 -9.068 259 HA SER 626 HA SER 626 -3.429 1.047 -11.384 260 1HB SER 626 1HB SER 626 -0.916 0.158 -11.535 261 2HB SER 626 2HB SER 626 -1.745 -1.358 -11.885 262 HG SER 626 HG SER 626 -2.185 1.095 -13.247 263 H LYS 627 H LYS 627 -3.950 -1.062 -8.975 264 HA LYS 627 HA LYS 627 -6.180 -2.288 -10.334 265 1HB LYS 627 1HB LYS 627 -3.756 -3.835 -9.550 266 2HB LYS 627 2HB LYS 627 -5.327 -4.583 -9.303 267 1HG LYS 627 1HG LYS 627 -4.493 -3.424 -11.941 268 2HG LYS 627 2HG LYS 627 -4.148 -5.092 -11.480 269 1HD LYS 627 1HD LYS 627 -6.322 -5.733 -11.658 270 2HD LYS 627 2HD LYS 627 -6.939 -4.162 -11.143 271 1HE LYS 627 1HE LYS 627 -7.193 -3.482 -13.248 272 2HE LYS 627 2HE LYS 627 -5.553 -3.974 -13.672 273 1HZ LYS 627 1HZ LYS 627 -7.843 -5.852 -13.505 274 2HZ LYS 627 2HZ LYS 627 -7.331 -5.122 -14.941 275 3HZ LYS 627 3HZ LYS 627 -6.299 -6.176 -14.111 276 H LYS 628 H LYS 628 -7.848 -2.572 -8.980 277 HA LYS 628 HA LYS 628 -7.647 -1.677 -6.280 278 1HB LYS 628 1HB LYS 628 -10.008 -3.194 -7.345 279 2HB LYS 628 2HB LYS 628 -9.976 -1.871 -6.188 280 1HG LYS 628 1HG LYS 628 -9.186 -0.414 -8.119 281 2HG LYS 628 2HG LYS 628 -9.662 -1.751 -9.168 282 1HD LYS 628 1HD LYS 628 -11.937 -1.646 -8.234 283 2HD LYS 628 2HD LYS 628 -11.449 -0.277 -7.232 284 1HE LYS 628 1HE LYS 628 -10.691 0.678 -9.591 285 2HE LYS 628 2HE LYS 628 -11.948 -0.420 -10.156 286 1HZ LYS 628 1HZ LYS 628 -12.894 1.044 -7.941 287 2HZ LYS 628 2HZ LYS 628 -12.272 2.120 -9.089 288 3HZ LYS 628 3HZ LYS 628 -13.484 1.024 -9.525 289 H CYS 629 H CYS 629 -6.517 -2.929 -4.889 290 HA CYS 629 HA CYS 629 -7.284 -5.770 -4.714 291 1HB CYS 629 1HB CYS 629 -4.907 -5.858 -3.545 292 2HB CYS 629 2HB CYS 629 -5.074 -5.967 -5.294 293 HG CYS 629 HG CYS 629 -4.839 -2.806 -4.474 294 H ILE 630 H ILE 630 -7.781 -2.932 -3.217 295 HA ILE 630 HA ILE 630 -7.441 -3.960 -0.495 296 HB ILE 630 HB ILE 630 -8.058 -1.203 -1.543 297 1HG1 ILE 630 1HG1 ILE 630 -5.907 -1.673 0.415 298 2HG1 ILE 630 2HG1 ILE 630 -5.674 -2.472 -1.137 299 1HG2 ILE 630 1HG2 ILE 630 -9.012 -2.278 0.866 300 2HG2 ILE 630 2HG2 ILE 630 -7.638 -1.259 1.297 301 3HG2 ILE 630 3HG2 ILE 630 -8.985 -0.582 0.379 302 1HD1 ILE 630 1HD1 ILE 630 -6.392 0.422 -1.029 303 2HD1 ILE 630 2HD1 ILE 630 -4.727 -0.103 -0.775 304 3HD1 ILE 630 3HD1 ILE 630 -5.550 -0.477 -2.291 305 H GLN 631 H GLN 631 -9.066 -5.162 0.217 306 HA GLN 631 HA GLN 631 -11.805 -4.557 -0.620 307 1HB GLN 631 1HB GLN 631 -10.958 -6.882 -0.834 308 2HB GLN 631 2HB GLN 631 -10.743 -6.940 0.910 309 1HG GLN 631 1HG GLN 631 -13.141 -6.636 1.223 310 2HG GLN 631 2HG GLN 631 -13.362 -6.558 -0.525 311 2HE2 GLN 631 2HE2 GLN 631 -14.744 -8.337 -0.493 312 1HE2 GLN 631 1HE2 GLN 631 -14.159 -9.947 -0.267 313 H SER 632 H SER 632 -13.058 -3.376 0.657 314 HA SER 632 HA SER 632 -12.304 -2.934 3.429 315 1HB SER 632 1HB SER 632 -13.784 -1.090 3.404 316 2HB SER 632 2HB SER 632 -13.064 -1.100 1.795 317 HG SER 632 HG SER 632 -14.927 -1.792 0.945 318 H GLU 633 H GLU 633 -14.185 -2.817 5.033 319 HA GLU 633 HA GLU 633 -15.225 -5.380 5.414 320 1HB GLU 633 1HB GLU 633 -15.222 -2.883 6.808 321 2HB GLU 633 2HB GLU 633 -16.850 -3.549 6.841 322 1HG GLU 633 1HG GLU 633 -16.274 -5.000 8.402 323 2HG GLU 633 2HG GLU 633 -14.963 -5.621 7.400 324 H ASP 634 H ASP 634 -16.409 -2.804 3.485 325 HA ASP 634 HA ASP 634 -19.152 -3.745 3.494 326 1HB ASP 634 1HB ASP 634 -18.065 -1.287 3.049 327 2HB ASP 634 2HB ASP 634 -18.313 -1.845 1.398 328 H LYS 635 H LYS 635 -16.688 -5.262 2.460 329 HA LYS 635 HA LYS 635 -16.146 -6.695 0.788 330 1HB LYS 635 1HB LYS 635 -18.481 -7.480 1.487 331 2HB LYS 635 2HB LYS 635 -19.061 -6.683 0.029 332 1HG LYS 635 1HG LYS 635 -18.709 -8.668 -0.933 333 2HG LYS 635 2HG LYS 635 -17.021 -8.160 -0.967 334 1HD LYS 635 1HD LYS 635 -18.389 -10.051 0.917 335 2HD LYS 635 2HD LYS 635 -16.938 -10.299 -0.053 336 1HE LYS 635 1HE LYS 635 -16.035 -8.325 1.472 337 2HE LYS 635 2HE LYS 635 -17.265 -8.945 2.571 338 1HZ LYS 635 1HZ LYS 635 -16.231 -11.173 2.279 339 2HZ LYS 635 2HZ LYS 635 -14.974 -10.437 1.420 340 3HZ LYS 635 3HZ LYS 635 -15.230 -10.046 3.046 341 H LYS 636 H LYS 636 -15.313 -4.456 -0.005 342 HA LYS 636 HA LYS 636 -16.028 -4.305 -2.835 343 1HB LYS 636 1HB LYS 636 -16.536 -2.217 -0.842 344 2HB LYS 636 2HB LYS 636 -15.636 -1.651 -2.242 345 1HG LYS 636 1HG LYS 636 -17.933 -3.320 -2.917 346 2HG LYS 636 2HG LYS 636 -18.350 -1.831 -2.069 347 1HD LYS 636 1HD LYS 636 -16.356 -1.490 -4.192 348 2HD LYS 636 2HD LYS 636 -17.936 -2.041 -4.759 349 1HE LYS 636 1HE LYS 636 -18.046 0.116 -2.781 350 2HE LYS 636 2HE LYS 636 -17.253 0.560 -4.292 351 1HZ LYS 636 1HZ LYS 636 -19.252 -0.360 -5.447 352 2HZ LYS 636 2HZ LYS 636 -20.006 -0.484 -3.938 353 3HZ LYS 636 3HZ LYS 636 -19.545 1.031 -4.531 354 H TRP 637 H TRP 637 -14.323 -3.883 -4.163 355 HA TRP 637 HA TRP 637 -11.704 -3.662 -2.862 356 1HB TRP 637 1HB TRP 637 -12.446 -4.487 -5.679 357 2HB TRP 637 2HB TRP 637 -10.804 -4.413 -5.054 358 HD1 TRP 637 HD1 TRP 637 -13.434 -5.839 -2.723 359 HE1 TRP 637 HE1 TRP 637 -13.075 -8.377 -2.495 360 HE3 TRP 637 HE3 TRP 637 -9.945 -6.501 -6.404 361 HZ2 TRP 637 HZ2 TRP 637 -11.521 -10.392 -3.713 362 HZ3 TRP 637 HZ3 TRP 637 -9.073 -8.766 -6.806 363 HH2 TRP 637 HH2 TRP 637 -9.846 -10.671 -5.488 364 H PHE 638 H PHE 638 -10.417 -1.928 -3.121 365 HA PHE 638 HA PHE 638 -11.145 0.073 -5.151 366 1HB PHE 638 1HB PHE 638 -10.219 0.785 -2.364 367 2HB PHE 638 2HB PHE 638 -10.781 1.883 -3.614 368 HD1 PHE 638 HD1 PHE 638 -13.226 0.619 -4.531 369 HD2 PHE 638 HD2 PHE 638 -11.683 1.005 -0.585 370 HE1 PHE 638 HE1 PHE 638 -15.506 0.458 -3.631 371 HE2 PHE 638 HE2 PHE 638 -13.963 0.850 0.324 372 HZ PHE 638 HZ PHE 638 -15.860 0.675 -1.138 373 H THR 639 H THR 639 -9.315 1.766 -5.303 374 HA THR 639 HA THR 639 -6.759 0.312 -5.405 375 HB THR 639 HB THR 639 -6.333 2.609 -6.836 376 HG1 THR 639 HG1 THR 639 -9.061 1.854 -7.096 377 1HG2 THR 639 1HG2 THR 639 -6.728 -0.195 -7.366 378 2HG2 THR 639 2HG2 THR 639 -7.345 0.779 -8.700 379 3HG2 THR 639 3HG2 THR 639 -5.669 0.957 -8.178 380 HA PRO 640 HA PRO 640 -4.633 2.773 -2.409 381 1HB PRO 640 1HB PRO 640 -3.042 3.984 -4.635 382 2HB PRO 640 2HB PRO 640 -2.488 3.306 -3.098 383 1HG PRO 640 1HG PRO 640 -2.244 1.900 -5.333 384 2HG PRO 640 2HG PRO 640 -2.744 1.110 -3.826 385 1HD PRO 640 1HD PRO 640 -4.374 1.843 -6.213 386 2HD PRO 640 2HD PRO 640 -4.539 0.460 -5.113 387 H ARG 641 H ARG 641 -6.067 4.278 -5.169 388 HA ARG 641 HA ARG 641 -5.923 6.950 -4.025 389 1HB ARG 641 1HB ARG 641 -5.636 6.992 -6.351 390 2HB ARG 641 2HB ARG 641 -6.914 5.816 -6.623 391 1HG ARG 641 1HG ARG 641 -8.329 7.465 -7.018 392 2HG ARG 641 2HG ARG 641 -8.092 8.058 -5.372 393 1HD ARG 641 1HD ARG 641 -7.637 9.742 -7.167 394 2HD ARG 641 2HD ARG 641 -6.298 9.469 -6.052 395 HE ARG 641 HE ARG 641 -5.677 7.794 -8.028 396 1HH1 ARG 641 1HH1 ARG 641 -6.732 11.114 -8.112 397 2HH1 ARG 641 2HH1 ARG 641 -5.854 11.489 -9.557 398 1HH2 ARG 641 1HH2 ARG 641 -4.523 8.278 -9.932 399 2HH2 ARG 641 2HH2 ARG 641 -4.600 9.879 -10.592 400 H GLU 642 H GLU 642 -8.483 4.701 -5.095 401 HA GLU 642 HA GLU 642 -10.632 6.172 -4.034 402 1HB GLU 642 1HB GLU 642 -10.293 3.759 -5.455 403 2HB GLU 642 2HB GLU 642 -11.185 3.346 -3.997 404 1HG GLU 642 1HG GLU 642 -12.902 4.929 -4.522 405 2HG GLU 642 2HG GLU 642 -11.972 5.550 -5.886 406 H PHE 643 H PHE 643 -8.338 4.058 -2.582 407 HA PHE 643 HA PHE 643 -9.862 3.508 -0.212 408 1HB PHE 643 1HB PHE 643 -7.990 2.059 -1.181 409 2HB PHE 643 2HB PHE 643 -6.871 3.245 -0.519 410 HD1 PHE 643 HD1 PHE 643 -5.765 1.842 1.046 411 HD2 PHE 643 HD2 PHE 643 -10.009 2.175 1.091 412 HE1 PHE 643 HE1 PHE 643 -5.830 0.685 3.218 413 HE2 PHE 643 HE2 PHE 643 -10.080 1.020 3.262 414 HZ PHE 643 HZ PHE 643 -7.959 0.252 4.317 415 H GLU 644 H GLU 644 -7.392 5.788 -1.223 416 HA GLU 644 HA GLU 644 -6.823 6.919 1.290 417 1HB GLU 644 1HB GLU 644 -5.311 7.423 -0.449 418 2HB GLU 644 2HB GLU 644 -6.596 7.929 -1.537 419 1HG GLU 644 1HG GLU 644 -6.985 9.807 0.207 420 2HG GLU 644 2HG GLU 644 -5.352 9.408 0.738 421 H ILE 645 H ILE 645 -9.345 7.480 -1.068 422 HA ILE 645 HA ILE 645 -10.373 9.877 0.026 423 HB ILE 645 HB ILE 645 -11.419 7.805 -1.858 424 1HG1 ILE 645 1HG1 ILE 645 -11.536 10.736 -2.343 425 2HG1 ILE 645 2HG1 ILE 645 -9.941 9.995 -2.268 426 1HG2 ILE 645 1HG2 ILE 645 -13.084 9.967 -0.588 427 2HG2 ILE 645 2HG2 ILE 645 -13.527 9.123 -2.073 428 3HG2 ILE 645 3HG2 ILE 645 -13.376 8.227 -0.561 429 1HD1 ILE 645 1HD1 ILE 645 -12.051 8.800 -4.002 430 2HD1 ILE 645 2HD1 ILE 645 -11.160 10.224 -4.540 431 3HD1 ILE 645 3HD1 ILE 645 -10.295 8.735 -4.158 432 H GLU 646 H GLU 646 -11.163 6.461 0.548 433 HA GLU 646 HA GLU 646 -13.322 7.002 2.342 434 1HB GLU 646 1HB GLU 646 -12.932 4.892 0.935 435 2HB GLU 646 2HB GLU 646 -11.802 4.411 2.194 436 1HG GLU 646 1HG GLU 646 -13.521 3.505 3.248 437 2HG GLU 646 2HG GLU 646 -14.083 5.142 3.579 438 H GLY 647 H GLY 647 -9.884 6.554 2.672 439 1HA GLY 647 1HA GLY 647 -8.599 6.200 4.607 440 2HA GLY 647 2HA GLY 647 -10.065 6.280 5.571 441 H ASP 648 H ASP 648 -9.946 8.796 3.351 442 HA ASP 648 HA ASP 648 -9.321 10.684 5.475 443 1HB ASP 648 1HB ASP 648 -7.348 9.983 3.655 444 2HB ASP 648 2HB ASP 648 -8.002 11.478 2.996 445 H ARG 649 H ARG 649 -9.474 11.101 1.948 446 HA ARG 649 HA ARG 649 -12.148 11.822 1.718 447 1HB ARG 649 1HB ARG 649 -10.928 13.726 3.225 448 2HB ARG 649 2HB ARG 649 -10.704 14.393 1.614 449 1HG ARG 649 1HG ARG 649 -13.381 13.505 2.649 450 2HG ARG 649 2HG ARG 649 -12.762 15.144 2.856 451 1HD ARG 649 1HD ARG 649 -12.376 14.963 0.257 452 2HD ARG 649 2HD ARG 649 -13.632 13.733 0.381 453 HE ARG 649 HE ARG 649 -14.137 16.380 1.523 454 1HH1 ARG 649 1HH1 ARG 649 -14.780 13.992 -0.934 455 2HH1 ARG 649 2HH1 ARG 649 -16.235 14.759 -1.478 456 1HH2 ARG 649 1HH2 ARG 649 -16.051 17.393 0.811 457 2HH2 ARG 649 2HH2 ARG 649 -16.955 16.691 -0.489 458 H GLY 650 H GLY 650 -8.855 12.334 0.671 459 1HA GLY 650 1HA GLY 650 -9.832 12.559 -2.109 460 2HA GLY 650 2HA GLY 650 -8.467 11.541 -1.670 461 H ALA 651 H ALA 651 -8.941 14.617 -0.138 462 HA ALA 651 HA ALA 651 -7.346 16.158 -1.924 463 1HB ALA 651 1HB ALA 651 -9.038 17.118 -0.379 464 2HB ALA 651 2HB ALA 651 -7.457 17.891 -0.259 465 3HB ALA 651 3HB ALA 651 -7.969 16.734 0.970 466 H SER 652 H SER 652 -6.589 13.766 0.297 467 HA SER 652 HA SER 652 -4.233 14.648 1.496 468 1HB SER 652 1HB SER 652 -5.662 12.268 1.408 469 2HB SER 652 2HB SER 652 -4.101 11.846 0.705 470 HG SER 652 HG SER 652 -3.168 12.141 2.580 471 H LYS 653 H LYS 653 -4.874 13.900 -1.783 472 HA LYS 653 HA LYS 653 -3.610 13.942 -3.666 473 1HB LYS 653 1HB LYS 653 -2.763 16.062 -2.749 474 2HB LYS 653 2HB LYS 653 -1.522 15.185 -1.865 475 1HG LYS 653 1HG LYS 653 -0.327 15.869 -3.680 476 2HG LYS 653 2HG LYS 653 -0.893 14.300 -4.257 477 1HD LYS 653 1HD LYS 653 -2.017 15.252 -5.926 478 2HD LYS 653 2HD LYS 653 -2.838 16.351 -4.817 479 1HE LYS 653 1HE LYS 653 -1.544 17.547 -6.533 480 2HE LYS 653 2HE LYS 653 -0.970 17.886 -4.902 481 1HZ LYS 653 1HZ LYS 653 0.468 15.700 -5.813 482 2HZ LYS 653 2HZ LYS 653 0.451 16.809 -7.090 483 3HZ LYS 653 3HZ LYS 653 1.036 17.274 -5.571 484 H ASN 654 H ASN 654 -0.820 13.538 -1.539 485 HA ASN 654 HA ASN 654 0.154 11.320 -2.997 486 1HB ASN 654 1HB ASN 654 0.942 12.179 -0.206 487 2HB ASN 654 2HB ASN 654 1.891 11.189 -1.311 488 2HD2 ASN 654 2HD2 ASN 654 2.753 13.592 -0.099 489 1HD2 ASN 654 1HD2 ASN 654 3.042 14.742 -1.355 490 H TRP 655 H TRP 655 -1.084 9.534 -3.068 491 HA TRP 655 HA TRP 655 -2.574 8.539 -0.849 492 1HB TRP 655 1HB TRP 655 -2.901 6.533 -2.325 493 2HB TRP 655 2HB TRP 655 -3.356 8.060 -3.072 494 HD1 TRP 655 HD1 TRP 655 -2.076 8.778 -5.244 495 HE1 TRP 655 HE1 TRP 655 -0.307 7.639 -6.726 496 HE3 TRP 655 HE3 TRP 655 -0.821 4.890 -2.170 497 HZ2 TRP 655 HZ2 TRP 655 1.395 5.390 -6.609 498 HZ3 TRP 655 HZ3 TRP 655 0.885 3.288 -2.932 499 HH2 TRP 655 HH2 TRP 655 1.968 3.534 -5.106 500 H LYS 656 H LYS 656 0.669 8.169 -1.930 501 HA LYS 656 HA LYS 656 1.206 5.649 -0.701 502 1HB LYS 656 1HB LYS 656 3.441 7.555 -1.077 503 2HB LYS 656 2HB LYS 656 3.315 5.863 -1.535 504 1HG LYS 656 1HG LYS 656 3.015 6.505 -3.629 505 2HG LYS 656 2HG LYS 656 1.480 7.233 -3.150 506 1HD LYS 656 1HD LYS 656 2.303 9.323 -3.243 507 2HD LYS 656 2HD LYS 656 3.840 8.852 -2.513 508 1HE LYS 656 1HE LYS 656 3.482 7.776 -5.193 509 2HE LYS 656 2HE LYS 656 3.432 9.538 -5.152 510 1HZ LYS 656 1HZ LYS 656 5.541 9.034 -3.590 511 2HZ LYS 656 2HZ LYS 656 5.650 7.741 -4.674 512 3HZ LYS 656 3HZ LYS 656 5.647 9.330 -5.253 513 H LEU 657 H LEU 657 0.879 8.828 0.478 514 HA LEU 657 HA LEU 657 2.340 8.177 2.942 515 1HB LEU 657 1HB LEU 657 1.630 10.711 1.558 516 2HB LEU 657 2HB LEU 657 1.728 10.745 3.309 517 HG LEU 657 HG LEU 657 3.987 9.675 1.639 518 1HD1 LEU 657 1HD1 LEU 657 3.415 12.531 2.394 519 2HD1 LEU 657 2HD1 LEU 657 5.015 11.947 1.935 520 3HD1 LEU 657 3HD1 LEU 657 3.682 11.867 0.782 521 1HD2 LEU 657 1HD2 LEU 657 3.662 10.651 4.459 522 2HD2 LEU 657 2HD2 LEU 657 4.242 9.086 3.893 523 3HD2 LEU 657 3HD2 LEU 657 5.243 10.523 3.690 524 H SER 658 H SER 658 -0.825 8.758 1.660 525 HA SER 658 HA SER 658 -2.063 9.271 4.203 526 1HB SER 658 1HB SER 658 -4.099 9.440 3.020 527 2HB SER 658 2HB SER 658 -2.881 10.078 1.916 528 HG SER 658 HG SER 658 -2.834 7.867 1.034 529 H ILE 659 H ILE 659 -1.423 6.441 2.252 530 HA ILE 659 HA ILE 659 -3.010 4.817 4.131 531 HB ILE 659 HB ILE 659 -1.971 3.898 1.456 532 1HG1 ILE 659 1HG1 ILE 659 -4.696 5.036 2.125 533 2HG1 ILE 659 2HG1 ILE 659 -3.473 5.820 1.130 534 1HG2 ILE 659 1HG2 ILE 659 -3.200 2.583 3.637 535 2HG2 ILE 659 2HG2 ILE 659 -4.371 2.626 2.320 536 3HG2 ILE 659 3HG2 ILE 659 -2.776 1.919 2.058 537 1HD1 ILE 659 1HD1 ILE 659 -4.375 3.115 0.326 538 2HD1 ILE 659 2HD1 ILE 659 -5.482 4.467 0.087 539 3HD1 ILE 659 3HD1 ILE 659 -3.886 4.493 -0.661 540 H ARG 660 H ARG 660 -2.127 2.995 5.090 541 HA ARG 660 HA ARG 660 0.809 2.809 4.967 542 1HB ARG 660 1HB ARG 660 -0.689 1.834 7.355 543 2HB ARG 660 2HB ARG 660 0.938 2.486 7.245 544 1HG ARG 660 1HG ARG 660 -0.455 4.677 6.587 545 2HG ARG 660 2HG ARG 660 -1.640 3.868 7.618 546 1HD ARG 660 1HD ARG 660 -0.223 3.906 9.474 547 2HD ARG 660 2HD ARG 660 1.210 4.193 8.489 548 HE ARG 660 HE ARG 660 -0.623 6.345 8.259 549 1HH1 ARG 660 1HH1 ARG 660 1.729 4.943 10.416 550 2HH1 ARG 660 2HH1 ARG 660 2.097 6.445 11.197 551 1HH2 ARG 660 1HH2 ARG 660 -0.143 8.325 9.281 552 2HH2 ARG 660 2HH2 ARG 660 1.032 8.366 10.553 553 H CYS 661 H CYS 661 1.669 0.634 5.576 554 HA CYS 661 HA CYS 661 -0.150 -1.553 4.835 555 1HB CYS 661 1HB CYS 661 1.970 -0.548 3.229 556 2HB CYS 661 2HB CYS 661 2.468 -2.122 3.838 557 HG CYS 661 HG CYS 661 0.793 -1.623 1.223 558 H GLY 662 H GLY 662 -0.252 -2.375 6.905 559 1HA GLY 662 1HA GLY 662 1.980 -3.960 7.755 560 2HA GLY 662 2HA GLY 662 0.438 -3.805 8.582 561 H GLY 663 H GLY 663 2.475 -1.077 7.745 562 1HA GLY 663 1HA GLY 663 3.956 -0.836 10.096 563 2HA GLY 663 2HA GLY 663 2.427 -0.010 10.354 564 H TYR 664 H TYR 664 4.521 -0.280 7.487 565 HA TYR 664 HA TYR 664 4.938 2.623 7.584 566 1HB TYR 664 1HB TYR 664 6.377 0.602 5.856 567 2HB TYR 664 2HB TYR 664 6.835 2.279 6.138 568 HD1 TYR 664 HD1 TYR 664 6.713 -1.091 7.602 569 HD2 TYR 664 HD2 TYR 664 7.981 2.932 8.155 570 HE1 TYR 664 HE1 TYR 664 8.112 -1.798 9.496 571 HE2 TYR 664 HE2 TYR 664 9.383 2.236 10.050 572 HH TYR 664 HH TYR 664 10.535 -0.007 10.765 573 H THR 665 H THR 665 4.331 3.948 5.930 574 HA THR 665 HA THR 665 2.176 3.136 4.286 575 HB THR 665 HB THR 665 2.196 5.363 3.383 576 HG1 THR 665 HG1 THR 665 3.956 6.730 3.641 577 1HG2 THR 665 1HG2 THR 665 2.941 5.278 6.303 578 2HG2 THR 665 2HG2 THR 665 2.354 6.731 5.493 579 3HG2 THR 665 3HG2 THR 665 1.324 5.303 5.600 580 H LEU 666 H LEU 666 2.125 3.434 1.889 581 HA LEU 666 HA LEU 666 3.933 1.744 0.615 582 1HB LEU 666 1HB LEU 666 2.158 3.888 -0.551 583 2HB LEU 666 2HB LEU 666 3.054 2.737 -1.521 584 HG LEU 666 HG LEU 666 0.927 1.808 -1.457 585 1HD1 LEU 666 1HD1 LEU 666 2.723 0.230 -0.652 586 2HD1 LEU 666 2HD1 LEU 666 2.144 0.533 0.986 587 3HD1 LEU 666 3HD1 LEU 666 1.072 -0.202 -0.205 588 1HD2 LEU 666 1HD2 LEU 666 0.682 3.352 0.909 589 2HD2 LEU 666 2HD2 LEU 666 -0.588 2.561 -0.025 590 3HD2 LEU 666 3HD2 LEU 666 0.212 1.695 1.288 591 H LYS 667 H LYS 667 4.093 5.146 1.271 592 HA LYS 667 HA LYS 667 6.044 5.912 -0.600 593 1HB LYS 667 1HB LYS 667 4.613 7.311 1.108 594 2HB LYS 667 2HB LYS 667 5.998 7.072 2.162 595 1HG LYS 667 1HG LYS 667 7.062 7.901 -0.284 596 2HG LYS 667 2HG LYS 667 5.649 8.921 -0.006 597 1HD LYS 667 1HD LYS 667 6.868 10.136 1.403 598 2HD LYS 667 2HD LYS 667 6.973 8.730 2.462 599 1HE LYS 667 1HE LYS 667 9.195 9.112 2.144 600 2HE LYS 667 2HE LYS 667 8.889 8.054 0.767 601 1HZ LYS 667 1HZ LYS 667 8.400 10.815 0.175 602 2HZ LYS 667 2HZ LYS 667 9.997 10.535 0.657 603 3HZ LYS 667 3HZ LYS 667 9.348 9.685 -0.654 604 H VAL 668 H VAL 668 6.287 4.641 2.687 605 HA VAL 668 HA VAL 668 9.160 4.633 2.689 606 HB VAL 668 HB VAL 668 7.206 3.284 4.564 607 1HG1 VAL 668 1HG1 VAL 668 10.047 3.020 4.299 608 2HG1 VAL 668 2HG1 VAL 668 9.659 3.785 5.841 609 3HG1 VAL 668 3HG1 VAL 668 8.954 2.223 5.429 610 1HG2 VAL 668 1HG2 VAL 668 7.195 5.823 4.398 611 2HG2 VAL 668 2HG2 VAL 668 7.448 5.131 6.001 612 3HG2 VAL 668 3HG2 VAL 668 8.817 5.767 5.089 613 H LEU 669 H LEU 669 6.592 2.298 2.097 614 HA LEU 669 HA LEU 669 8.233 -0.006 2.020 615 1HB LEU 669 1HB LEU 669 5.465 0.671 1.504 616 2HB LEU 669 2HB LEU 669 6.069 -0.466 0.314 617 HG LEU 669 HG LEU 669 6.829 -1.922 2.227 618 1HD1 LEU 669 1HD1 LEU 669 5.587 0.307 3.722 619 2HD1 LEU 669 2HD1 LEU 669 5.264 -1.326 4.305 620 3HD1 LEU 669 3HD1 LEU 669 6.926 -0.752 4.165 621 1HD2 LEU 669 1HD2 LEU 669 4.078 -1.360 1.368 622 2HD2 LEU 669 2HD2 LEU 669 4.976 -2.878 1.389 623 3HD2 LEU 669 3HD2 LEU 669 4.222 -2.278 2.866 624 H MET 670 H MET 670 7.424 2.459 -0.307 625 HA MET 670 HA MET 670 8.499 0.979 -2.548 626 1HB MET 670 1HB MET 670 7.881 2.804 -3.895 627 2HB MET 670 2HB MET 670 6.632 2.732 -2.663 628 1HG MET 670 1HG MET 670 7.289 4.676 -1.678 629 2HG MET 670 2HG MET 670 8.971 4.485 -2.167 630 1HE MET 670 1HE MET 670 5.473 4.756 -3.336 631 2HE MET 670 2HE MET 670 5.439 6.156 -4.408 632 3HE MET 670 3HE MET 670 5.826 4.562 -5.053 633 H GLU 671 H GLU 671 9.722 2.748 0.002 634 HA GLU 671 HA GLU 671 12.161 3.524 -1.427 635 1HB GLU 671 1HB GLU 671 11.081 5.252 -0.048 636 2HB GLU 671 2HB GLU 671 11.228 4.219 1.366 637 1HG GLU 671 1HG GLU 671 13.807 4.348 0.448 638 2HG GLU 671 2HG GLU 671 13.185 5.962 0.104 639 H ASN 672 H ASN 672 10.895 1.238 0.827 640 HA ASN 672 HA ASN 672 13.410 0.488 1.980 641 1HB ASN 672 1HB ASN 672 10.693 -0.843 1.985 642 2HB ASN 672 2HB ASN 672 12.089 -1.476 2.850 643 2HD2 ASN 672 2HD2 ASN 672 9.826 -0.910 4.208 644 1HD2 ASN 672 1HD2 ASN 672 10.051 0.485 5.204 645 H LYS 673 H LYS 673 11.147 -1.584 0.212 646 HA LYS 673 HA LYS 673 12.590 -2.258 -2.011 647 1HB LYS 673 1HB LYS 673 13.688 -4.408 -1.347 648 2HB LYS 673 2HB LYS 673 14.451 -2.971 -0.685 649 1HG LYS 673 1HG LYS 673 13.223 -3.371 1.441 650 2HG LYS 673 2HG LYS 673 12.648 -4.897 0.763 651 1HD LYS 673 1HD LYS 673 14.582 -5.915 1.211 652 2HD LYS 673 2HD LYS 673 15.514 -4.612 0.471 653 1HE LYS 673 1HE LYS 673 15.260 -3.302 2.552 654 2HE LYS 673 2HE LYS 673 14.427 -4.674 3.284 655 1HZ LYS 673 1HZ LYS 673 17.030 -5.224 2.108 656 2HZ LYS 673 2HZ LYS 673 17.034 -4.274 3.508 657 3HZ LYS 673 3HZ LYS 673 16.339 -5.816 3.533 658 H PHE 674 H PHE 674 9.894 -2.169 -0.875 659 HA PHE 674 HA PHE 674 9.025 -4.894 -1.585 660 1HB PHE 674 1HB PHE 674 7.710 -2.991 0.365 661 2HB PHE 674 2HB PHE 674 7.093 -4.577 -0.088 662 HD1 PHE 674 HD1 PHE 674 9.581 -2.758 1.854 663 HD2 PHE 674 HD2 PHE 674 8.185 -6.605 0.688 664 HE1 PHE 674 HE1 PHE 674 10.914 -3.781 3.650 665 HE2 PHE 674 HE2 PHE 674 9.515 -7.636 2.484 666 HZ PHE 674 HZ PHE 674 10.881 -6.224 3.968 667 H LEU 675 H LEU 675 8.805 -1.556 -2.262 668 HA LEU 675 HA LEU 675 6.738 -2.129 -4.264 669 1HB LEU 675 1HB LEU 675 6.404 -0.458 -2.005 670 2HB LEU 675 2HB LEU 675 6.505 0.590 -3.407 671 HG LEU 675 HG LEU 675 4.532 -1.647 -2.969 672 1HD1 LEU 675 1HD1 LEU 675 4.331 0.698 -1.851 673 2HD1 LEU 675 2HD1 LEU 675 3.852 1.214 -3.468 674 3HD1 LEU 675 3HD1 LEU 675 2.928 -0.032 -2.631 675 1HD2 LEU 675 1HD2 LEU 675 5.546 -0.707 -5.408 676 2HD2 LEU 675 2HD2 LEU 675 4.122 -1.716 -5.151 677 3HD2 LEU 675 3HD2 LEU 675 3.958 0.038 -5.220 678 HA PRO 676 HA PRO 676 10.279 0.272 -6.081 679 1HB PRO 676 1HB PRO 676 11.466 -1.887 -7.373 680 2HB PRO 676 2HB PRO 676 12.011 -1.173 -5.857 681 1HG PRO 676 1HG PRO 676 10.923 -3.763 -6.250 682 2HG PRO 676 2HG PRO 676 11.327 -2.994 -4.709 683 1HD PRO 676 1HD PRO 676 8.701 -3.291 -6.046 684 2HD PRO 676 2HD PRO 676 9.082 -3.126 -4.319 685 H GLU 677 H GLU 677 7.545 -0.838 -6.982 686 HA GLU 677 HA GLU 677 6.262 -0.590 -8.853 687 1HB GLU 677 1HB GLU 677 8.822 0.187 -10.268 688 2HB GLU 677 2HB GLU 677 7.190 0.396 -10.888 689 1HG GLU 677 1HG GLU 677 6.869 1.792 -8.695 690 2HG GLU 677 2HG GLU 677 8.625 1.913 -8.769 691 HA PRO 678 HA PRO 678 6.065 -4.405 -11.036 692 1HB PRO 678 1HB PRO 678 6.628 -2.891 -13.561 693 2HB PRO 678 2HB PRO 678 5.434 -4.158 -13.256 694 1HG PRO 678 1HG PRO 678 4.727 -1.583 -13.282 695 2HG PRO 678 2HG PRO 678 3.998 -2.728 -12.142 696 1HD PRO 678 1HD PRO 678 5.931 -0.547 -11.641 697 2HD PRO 678 2HD PRO 678 4.780 -1.314 -10.531 698 HA PRO 679 HA PRO 679 10.391 -4.466 -13.365 699 1HB PRO 679 1HB PRO 679 12.031 -2.380 -12.567 700 2HB PRO 679 2HB PRO 679 11.176 -2.461 -14.111 701 1HG PRO 679 1HG PRO 679 10.434 -1.019 -11.602 702 2HG PRO 679 2HG PRO 679 10.262 -0.501 -13.289 703 1HD PRO 679 1HD PRO 679 8.165 -1.393 -11.884 704 2HD PRO 679 2HD PRO 679 8.343 -1.764 -13.612 705 H SER 680 H SER 680 10.297 -2.792 -10.231 706 HA SER 680 HA SER 680 11.326 -3.197 -8.241 707 1HB SER 680 1HB SER 680 10.915 -5.349 -7.323 708 2HB SER 680 2HB SER 680 9.610 -5.070 -8.477 709 HG SER 680 HG SER 680 10.592 -7.170 -8.641 710 H THR 681 H THR 681 13.203 -2.648 -10.102 711 HA THR 681 HA THR 681 15.371 -4.528 -9.429 712 HB THR 681 HB THR 681 15.187 -4.855 -11.723 713 HG1 THR 681 HG1 THR 681 16.871 -2.913 -12.392 714 1HG2 THR 681 1HG2 THR 681 13.627 -2.679 -11.803 715 2HG2 THR 681 2HG2 THR 681 15.087 -2.005 -12.527 716 3HG2 THR 681 3HG2 THR 681 14.314 -3.414 -13.252 717 H ARG 682 H ARG 682 14.359 -1.206 -9.866 718 HA ARG 682 HA ARG 682 16.931 -0.060 -9.371 719 1HB ARG 682 1HB ARG 682 14.292 0.879 -10.046 720 2HB ARG 682 2HB ARG 682 14.954 1.837 -8.728 721 1HG ARG 682 1HG ARG 682 16.926 2.337 -10.048 722 2HG ARG 682 2HG ARG 682 16.321 1.326 -11.363 723 1HD ARG 682 1HD ARG 682 14.509 2.800 -11.777 724 2HD ARG 682 2HD ARG 682 14.804 3.690 -10.284 725 HE ARG 682 HE ARG 682 17.077 3.825 -11.947 726 1HH1 ARG 682 1HH1 ARG 682 13.824 5.046 -11.691 727 2HH1 ARG 682 2HH1 ARG 682 14.168 6.507 -12.556 728 1HH2 ARG 682 1HH2 ARG 682 17.538 5.747 -13.086 729 2HH2 ARG 682 2HH2 ARG 682 16.277 6.905 -13.349 730 H LYS 683 H LYS 683 17.732 0.869 -7.509 731 HA LYS 683 HA LYS 683 16.745 -0.258 -5.044 732 1HB LYS 683 1HB LYS 683 19.204 1.042 -5.977 733 2HB LYS 683 2HB LYS 683 18.764 1.454 -4.325 734 1HG LYS 683 1HG LYS 683 18.556 -1.396 -4.893 735 2HG LYS 683 2HG LYS 683 20.185 -0.750 -5.101 736 1HD LYS 683 1HD LYS 683 18.683 0.050 -2.669 737 2HD LYS 683 2HD LYS 683 19.288 -1.605 -2.749 738 1HE LYS 683 1HE LYS 683 21.259 -0.830 -2.070 739 2HE LYS 683 2HE LYS 683 21.403 -0.016 -3.628 740 1HZ LYS 683 1HZ LYS 683 19.939 1.761 -2.386 741 2HZ LYS 683 2HZ LYS 683 20.666 1.080 -1.019 742 3HZ LYS 683 3HZ LYS 683 21.625 1.750 -2.241 743 H LYS 684 H LYS 684 16.480 2.723 -6.739 744 HA LYS 684 HA LYS 684 15.331 4.639 -6.329 745 1HB LYS 684 1HB LYS 684 13.689 2.858 -5.379 746 2HB LYS 684 2HB LYS 684 14.205 3.462 -3.810 747 1HG LYS 684 1HG LYS 684 12.711 5.083 -3.977 748 2HG LYS 684 2HG LYS 684 13.583 5.718 -5.373 749 1HD LYS 684 1HD LYS 684 12.214 4.599 -6.890 750 2HD LYS 684 2HD LYS 684 11.651 3.449 -5.675 751 1HE LYS 684 1HE LYS 684 10.006 4.807 -4.980 752 2HE LYS 684 2HE LYS 684 11.030 6.241 -5.055 753 1HZ LYS 684 1HZ LYS 684 10.447 5.273 -7.659 754 2HZ LYS 684 2HZ LYS 684 9.017 5.553 -6.799 755 3HZ LYS 684 3HZ LYS 684 10.145 6.799 -6.994 756 H VAL 685 H VAL 685 15.821 6.555 -5.400 757 HA VAL 685 HA VAL 685 17.794 6.493 -3.242 758 HB VAL 685 HB VAL 685 17.199 9.129 -4.346 759 1HG1 VAL 685 1HG1 VAL 685 19.170 8.443 -2.955 760 2HG1 VAL 685 2HG1 VAL 685 19.767 7.556 -4.358 761 3HG1 VAL 685 3HG1 VAL 685 19.572 9.307 -4.439 762 1HG2 VAL 685 1HG2 VAL 685 17.597 6.872 -6.191 763 2HG2 VAL 685 2HG2 VAL 685 16.896 8.465 -6.478 764 3HG2 VAL 685 3HG2 VAL 685 18.648 8.261 -6.463 765 H THR 686 H THR 686 17.495 9.052 -2.227 766 HA THR 686 HA THR 686 16.421 10.200 -0.585 767 HB THR 686 HB THR 686 13.739 9.315 -1.558 768 HG1 THR 686 HG1 THR 686 15.263 11.259 -2.962 769 1HG2 THR 686 1HG2 THR 686 14.933 11.580 -0.147 770 2HG2 THR 686 2HG2 THR 686 13.818 12.057 -1.428 771 3HG2 THR 686 3HG2 THR 686 13.271 10.988 -0.136 772 H ILE 687 H ILE 687 17.255 8.575 0.905 773 HA ILE 687 HA ILE 687 15.136 6.844 1.998 774 HB ILE 687 HB ILE 687 16.949 5.478 1.274 775 1HG1 ILE 687 1HG1 ILE 687 17.824 5.434 4.056 776 2HG1 ILE 687 2HG1 ILE 687 16.072 5.541 3.908 777 1HG2 ILE 687 1HG2 ILE 687 18.541 7.706 1.943 778 2HG2 ILE 687 2HG2 ILE 687 19.128 6.340 2.893 779 3HG2 ILE 687 3HG2 ILE 687 19.030 6.217 1.136 780 1HD1 ILE 687 1HD1 ILE 687 17.253 3.567 2.124 781 2HD1 ILE 687 2HD1 ILE 687 17.550 3.244 3.832 782 3HD1 ILE 687 3HD1 ILE 687 15.898 3.425 3.243 783 H LYS 688 H LYS 688 14.185 7.908 3.616 784 HA LYS 688 HA LYS 688 15.895 8.951 5.764 785 1HB LYS 688 1HB LYS 688 14.512 10.603 4.057 786 2HB LYS 688 2HB LYS 688 13.391 10.432 5.400 787 1HG LYS 688 1HG LYS 688 14.532 12.140 6.278 788 2HG LYS 688 2HG LYS 688 15.711 10.903 6.720 789 1HD LYS 688 1HD LYS 688 16.931 11.338 4.633 790 2HD LYS 688 2HD LYS 688 15.759 12.592 4.217 791 1HE LYS 688 1HE LYS 688 17.651 12.573 6.565 792 2HE LYS 688 2HE LYS 688 17.722 13.624 5.151 793 1HZ LYS 688 1HZ LYS 688 15.394 14.353 5.899 794 2HZ LYS 688 2HZ LYS 688 15.807 13.675 7.393 795 3HZ LYS 688 3HZ LYS 688 16.731 14.940 6.756 No H/Q in entry = 795 Start of MODEL 5 1 H1 MET 594 H1 MET 594 16.816 -10.037 6.009 2 H2 MET 594 H2 MET 594 16.963 -11.468 6.898 3 H3 MET 594 H3 MET 594 17.049 -11.509 5.208 4 HA MET 594 HA MET 594 14.902 -11.949 5.160 5 1HB MET 594 1HB MET 594 13.559 -11.879 7.273 6 2HB MET 594 2HB MET 594 15.037 -12.824 7.393 7 1HG MET 594 1HG MET 594 16.134 -11.088 8.605 8 2HG MET 594 2HG MET 594 14.794 -9.976 8.323 9 1HE MET 594 1HE MET 594 14.593 -9.324 10.744 10 2HE MET 594 2HE MET 594 14.295 -10.415 12.098 11 3HE MET 594 3HE MET 594 15.878 -10.386 11.321 12 H ASP 595 H ASP 595 12.691 -10.656 6.399 13 HA ASP 595 HA ASP 595 12.489 -8.346 4.747 14 1HB ASP 595 1HB ASP 595 10.494 -8.582 6.889 15 2HB ASP 595 2HB ASP 595 10.269 -8.500 5.145 16 H GLU 596 H GLU 596 11.084 -6.504 6.277 17 HA GLU 596 HA GLU 596 13.155 -5.570 8.158 18 1HB GLU 596 1HB GLU 596 11.970 -4.292 5.864 19 2HB GLU 596 2HB GLU 596 11.622 -3.361 7.314 20 1HG GLU 596 1HG GLU 596 14.371 -4.177 7.304 21 2HG GLU 596 2HG GLU 596 13.968 -3.363 5.793 22 H ASN 597 H ASN 597 9.716 -5.622 7.413 23 HA ASN 597 HA ASN 597 9.039 -5.831 10.194 24 1HB ASN 597 1HB ASN 597 9.193 -3.246 9.157 25 2HB ASN 597 2HB ASN 597 7.475 -3.634 9.107 26 2HD2 ASN 597 2HD2 ASN 597 10.062 -4.490 11.373 27 1HD2 ASN 597 1HD2 ASN 597 9.275 -3.858 12.776 28 H ILE 598 H ILE 598 7.741 -5.022 6.984 29 HA ILE 598 HA ILE 598 5.641 -7.042 7.422 30 HB ILE 598 HB ILE 598 5.389 -4.578 5.695 31 1HG1 ILE 598 1HG1 ILE 598 5.422 -3.792 7.940 32 2HG1 ILE 598 2HG1 ILE 598 3.726 -3.871 7.477 33 1HG2 ILE 598 1HG2 ILE 598 4.077 -6.696 5.140 34 2HG2 ILE 598 2HG2 ILE 598 3.180 -6.382 6.626 35 3HG2 ILE 598 3HG2 ILE 598 3.163 -5.198 5.320 36 1HD1 ILE 598 1HD1 ILE 598 3.593 -6.071 8.639 37 2HD1 ILE 598 2HD1 ILE 598 5.234 -5.794 9.225 38 3HD1 ILE 598 3HD1 ILE 598 3.932 -4.700 9.694 39 H ASN 599 H ASN 599 6.190 -8.786 6.283 40 HA ASN 599 HA ASN 599 7.879 -8.784 4.026 41 1HB ASN 599 1HB ASN 599 6.916 -11.149 3.717 42 2HB ASN 599 2HB ASN 599 7.777 -10.811 5.215 43 2HD2 ASN 599 2HD2 ASN 599 6.740 -12.404 6.368 44 1HD2 ASN 599 1HD2 ASN 599 5.077 -12.300 6.822 45 H PHE 600 H PHE 600 6.935 -10.124 1.991 46 HA PHE 600 HA PHE 600 4.386 -8.974 1.153 47 1HB PHE 600 1HB PHE 600 5.246 -8.047 -0.874 48 2HB PHE 600 2HB PHE 600 6.236 -7.425 0.439 49 HD1 PHE 600 HD1 PHE 600 6.213 -9.157 -2.680 50 HD2 PHE 600 HD2 PHE 600 8.476 -8.544 0.872 51 HE1 PHE 600 HE1 PHE 600 8.231 -9.969 -3.830 52 HE2 PHE 600 HE2 PHE 600 10.498 -9.354 -0.273 53 HZ PHE 600 HZ PHE 600 10.384 -10.025 -2.644 54 H LYS 601 H LYS 601 6.309 -11.579 1.480 55 HA LYS 601 HA LYS 601 5.795 -12.959 -0.976 56 1HB LYS 601 1HB LYS 601 6.704 -14.007 1.703 57 2HB LYS 601 2HB LYS 601 6.691 -14.927 0.206 58 1HG LYS 601 1HG LYS 601 8.502 -12.728 1.065 59 2HG LYS 601 2HG LYS 601 8.876 -14.279 0.319 60 1HD LYS 601 1HD LYS 601 7.458 -12.077 -1.160 61 2HD LYS 601 2HD LYS 601 9.216 -12.217 -1.118 62 1HE LYS 601 1HE LYS 601 8.624 -14.717 -1.829 63 2HE LYS 601 2HE LYS 601 7.203 -13.906 -2.489 64 1HZ LYS 601 1HZ LYS 601 8.958 -12.302 -3.475 65 2HZ LYS 601 2HZ LYS 601 10.030 -13.589 -3.232 66 3HZ LYS 601 3HZ LYS 601 8.678 -13.791 -4.227 67 H GLN 602 H GLN 602 3.749 -12.053 1.399 68 HA GLN 602 HA GLN 602 2.212 -14.510 1.564 69 1HB GLN 602 1HB GLN 602 1.213 -11.883 2.588 70 2HB GLN 602 2HB GLN 602 0.972 -13.497 3.242 71 1HG GLN 602 1HG GLN 602 3.445 -11.798 3.409 72 2HG GLN 602 2HG GLN 602 2.392 -12.310 4.727 73 2HE2 GLN 602 2HE2 GLN 602 5.236 -12.908 3.155 74 1HE2 GLN 602 1HE2 GLN 602 5.519 -14.526 3.690 75 H SER 603 H SER 603 -0.235 -14.256 1.246 76 HA SER 603 HA SER 603 -0.637 -13.232 -1.449 77 1HB SER 603 1HB SER 603 -2.383 -14.948 0.332 78 2HB SER 603 2HB SER 603 -2.807 -14.464 -1.310 79 HG SER 603 HG SER 603 -0.332 -15.516 -1.258 80 H GLU 604 H GLU 604 -1.292 -12.342 1.779 81 HA GLU 604 HA GLU 604 -2.994 -10.149 0.825 82 1HB GLU 604 1HB GLU 604 -3.490 -11.843 3.278 83 2HB GLU 604 2HB GLU 604 -4.337 -10.343 2.923 84 1HG GLU 604 1HG GLU 604 -5.853 -11.651 1.950 85 2HG GLU 604 2HG GLU 604 -4.703 -11.747 0.617 86 H LEU 605 H LEU 605 -2.342 -8.206 1.484 87 HA LEU 605 HA LEU 605 -0.387 -8.071 3.682 88 1HB LEU 605 1HB LEU 605 0.030 -7.341 1.105 89 2HB LEU 605 2HB LEU 605 -0.544 -5.825 1.773 90 HG LEU 605 HG LEU 605 1.245 -5.870 3.448 91 1HD1 LEU 605 1HD1 LEU 605 1.364 -8.413 3.450 92 2HD1 LEU 605 2HD1 LEU 605 2.389 -8.251 2.024 93 3HD1 LEU 605 3HD1 LEU 605 2.891 -7.536 3.555 94 1HD2 LEU 605 1HD2 LEU 605 1.483 -5.021 0.987 95 2HD2 LEU 605 2HD2 LEU 605 2.896 -5.106 2.039 96 3HD2 LEU 605 3HD2 LEU 605 2.610 -6.369 0.842 97 HA PRO 606 HA PRO 606 -3.685 -5.842 5.752 98 1HB PRO 606 1HB PRO 606 -2.154 -5.066 7.901 99 2HB PRO 606 2HB PRO 606 -2.939 -6.643 7.760 100 1HG PRO 606 1HG PRO 606 -0.104 -5.879 7.188 101 2HG PRO 606 2HG PRO 606 -0.734 -7.324 8.005 102 1HD PRO 606 1HD PRO 606 0.081 -7.400 5.449 103 2HD PRO 606 2HD PRO 606 -1.310 -8.354 6.009 104 H VAL 607 H VAL 607 -4.295 -3.875 5.140 105 HA VAL 607 HA VAL 607 -2.276 -1.728 5.056 106 HB VAL 607 HB VAL 607 -4.149 -0.737 3.412 107 1HG1 VAL 607 1HG1 VAL 607 -1.602 -2.052 3.116 108 2HG1 VAL 607 2HG1 VAL 607 -2.612 -2.305 1.692 109 3HG1 VAL 607 3HG1 VAL 607 -2.260 -0.668 2.244 110 1HG2 VAL 607 1HG2 VAL 607 -5.513 -2.817 3.621 111 2HG2 VAL 607 2HG2 VAL 607 -5.073 -2.404 1.964 112 3HG2 VAL 607 3HG2 VAL 607 -4.214 -3.690 2.811 113 H THR 608 H THR 608 -2.974 0.367 5.691 114 HA THR 608 HA THR 608 -5.594 0.560 6.969 115 HB THR 608 HB THR 608 -4.517 1.624 8.988 116 HG1 THR 608 HG1 THR 608 -2.416 1.796 8.942 117 1HG2 THR 608 1HG2 THR 608 -5.287 -0.917 8.585 118 2HG2 THR 608 2HG2 THR 608 -3.589 -1.189 8.982 119 3HG2 THR 608 3HG2 THR 608 -4.637 -0.345 10.121 120 H CYS 609 H CYS 609 -6.362 2.217 5.789 121 HA CYS 609 HA CYS 609 -4.679 4.615 5.502 122 1HB CYS 609 1HB CYS 609 -5.442 3.724 3.384 123 2HB CYS 609 2HB CYS 609 -7.107 3.710 3.951 124 HG CYS 609 HG CYS 609 -5.808 5.957 2.172 125 H GLY 610 H GLY 610 -5.050 5.870 7.245 126 1HA GLY 610 1HA GLY 610 -7.398 7.350 7.500 127 2HA GLY 610 2HA GLY 610 -6.160 7.214 8.739 128 H GLU 611 H GLU 611 -6.236 4.815 9.729 129 HA GLU 611 HA GLU 611 -7.316 3.484 11.223 130 1HB GLU 611 1HB GLU 611 -9.706 5.305 10.960 131 2HB GLU 611 2HB GLU 611 -9.304 4.248 12.307 132 1HG GLU 611 1HG GLU 611 -8.098 5.828 13.279 133 2HG GLU 611 2HG GLU 611 -7.171 6.111 11.807 134 H VAL 612 H VAL 612 -8.201 3.886 8.103 135 HA VAL 612 HA VAL 612 -10.408 1.968 8.141 136 HB VAL 612 HB VAL 612 -9.206 3.526 5.845 137 1HG1 VAL 612 1HG1 VAL 612 -11.082 1.307 5.926 138 2HG1 VAL 612 2HG1 VAL 612 -11.754 2.731 5.129 139 3HG1 VAL 612 3HG1 VAL 612 -10.242 2.031 4.553 140 1HG2 VAL 612 1HG2 VAL 612 -11.554 3.997 7.644 141 2HG2 VAL 612 2HG2 VAL 612 -10.280 5.115 7.156 142 3HG2 VAL 612 3HG2 VAL 612 -11.532 4.645 6.005 143 H LYS 613 H LYS 613 -9.405 0.029 8.612 144 HA LYS 613 HA LYS 613 -7.032 -0.860 7.312 145 1HB LYS 613 1HB LYS 613 -8.215 -1.590 9.579 146 2HB LYS 613 2HB LYS 613 -8.925 -2.809 8.529 147 1HG LYS 613 1HG LYS 613 -6.608 -3.434 7.828 148 2HG LYS 613 2HG LYS 613 -6.005 -2.343 9.077 149 1HD LYS 613 1HD LYS 613 -7.766 -3.790 10.513 150 2HD LYS 613 2HD LYS 613 -7.273 -4.994 9.321 151 1HE LYS 613 1HE LYS 613 -4.898 -4.468 9.890 152 2HE LYS 613 2HE LYS 613 -5.495 -3.443 11.196 153 1HZ LYS 613 1HZ LYS 613 -6.771 -5.609 11.840 154 2HZ LYS 613 2HZ LYS 613 -5.542 -6.366 10.959 155 3HZ LYS 613 3HZ LYS 613 -5.154 -5.402 12.293 156 H GLY 614 H GLY 614 -6.994 -3.008 6.143 157 1HA GLY 614 1HA GLY 614 -8.317 -2.809 3.698 158 2HA GLY 614 2HA GLY 614 -9.223 -3.938 4.694 159 H THR 615 H THR 615 -8.540 -5.358 2.827 160 HA THR 615 HA THR 615 -5.974 -6.634 3.504 161 HB THR 615 HB THR 615 -7.530 -8.348 1.859 162 HG1 THR 615 HG1 THR 615 -8.960 -7.244 4.065 163 1HG2 THR 615 1HG2 THR 615 -6.219 -8.341 4.456 164 2HG2 THR 615 2HG2 THR 615 -7.675 -9.336 4.437 165 3HG2 THR 615 3HG2 THR 615 -6.383 -9.643 3.278 166 H LEU 616 H LEU 616 -4.382 -6.412 2.089 167 HA LEU 616 HA LEU 616 -4.953 -5.483 -0.607 168 1HB LEU 616 1HB LEU 616 -3.192 -4.406 0.733 169 2HB LEU 616 2HB LEU 616 -2.320 -5.926 0.798 170 HG LEU 616 HG LEU 616 -2.912 -5.082 -1.932 171 1HD1 LEU 616 1HD1 LEU 616 -1.626 -3.199 -0.039 172 2HD1 LEU 616 2HD1 LEU 616 -0.887 -3.390 -1.630 173 3HD1 LEU 616 3HD1 LEU 616 -2.570 -2.880 -1.494 174 1HD2 LEU 616 1HD2 LEU 616 -0.962 -6.541 -0.453 175 2HD2 LEU 616 2HD2 LEU 616 -1.191 -6.453 -2.199 176 3HD2 LEU 616 3HD2 LEU 616 -0.151 -5.284 -1.386 177 H TYR 617 H TYR 617 -4.876 -6.696 -2.383 178 HA TYR 617 HA TYR 617 -4.112 -9.508 -2.111 179 1HB TYR 617 1HB TYR 617 -5.907 -7.990 -3.965 180 2HB TYR 617 2HB TYR 617 -5.207 -9.511 -4.513 181 HD1 TYR 617 HD1 TYR 617 -6.804 -8.247 -1.368 182 HD2 TYR 617 HD2 TYR 617 -6.609 -11.319 -4.304 183 HE1 TYR 617 HE1 TYR 617 -8.575 -9.478 -0.188 184 HE2 TYR 617 HE2 TYR 617 -8.380 -12.559 -3.133 185 HH TYR 617 HH TYR 617 -9.571 -12.703 -1.219 186 H LYS 618 H LYS 618 -2.293 -10.270 -2.958 187 HA LYS 618 HA LYS 618 -0.425 -8.567 -4.247 188 1HB LYS 618 1HB LYS 618 -0.316 -10.987 -2.908 189 2HB LYS 618 2HB LYS 618 0.091 -11.420 -4.563 190 1HG LYS 618 1HG LYS 618 2.169 -10.919 -3.841 191 2HG LYS 618 2HG LYS 618 1.670 -9.289 -4.300 192 1HD LYS 618 1HD LYS 618 0.731 -9.459 -1.746 193 2HD LYS 618 2HD LYS 618 2.204 -10.424 -1.649 194 1HE LYS 618 1HE LYS 618 1.941 -7.566 -2.564 195 2HE LYS 618 2HE LYS 618 2.752 -8.154 -1.114 196 1HZ LYS 618 1HZ LYS 618 3.591 -8.780 -3.894 197 2HZ LYS 618 2HZ LYS 618 4.302 -7.598 -2.914 198 3HZ LYS 618 3HZ LYS 618 4.399 -9.229 -2.478 199 H GLU 619 H GLU 619 -2.770 -10.888 -5.407 200 HA GLU 619 HA GLU 619 -1.781 -11.336 -7.976 201 1HB GLU 619 1HB GLU 619 -4.043 -11.992 -8.577 202 2HB GLU 619 2HB GLU 619 -3.637 -12.608 -6.981 203 1HG GLU 619 1HG GLU 619 -4.867 -10.686 -5.998 204 2HG GLU 619 2HG GLU 619 -5.376 -10.241 -7.626 205 H ARG 620 H ARG 620 -3.127 -8.492 -6.623 206 HA ARG 620 HA ARG 620 -3.302 -7.298 -9.311 207 1HB ARG 620 1HB ARG 620 -5.189 -7.263 -7.090 208 2HB ARG 620 2HB ARG 620 -4.780 -5.645 -7.643 209 1HG ARG 620 1HG ARG 620 -5.916 -5.878 -9.556 210 2HG ARG 620 2HG ARG 620 -5.360 -7.535 -9.799 211 1HD ARG 620 1HD ARG 620 -7.043 -8.413 -8.407 212 2HD ARG 620 2HD ARG 620 -7.417 -6.830 -7.727 213 HE ARG 620 HE ARG 620 -8.552 -6.273 -9.728 214 1HH1 ARG 620 1HH1 ARG 620 -7.395 -9.561 -9.657 215 2HH1 ARG 620 2HH1 ARG 620 -8.431 -10.088 -10.941 216 1HH2 ARG 620 1HH2 ARG 620 -9.918 -6.960 -11.418 217 2HH2 ARG 620 2HH2 ARG 620 -9.863 -8.610 -11.944 218 H PHE 621 H PHE 621 -2.057 -7.072 -6.090 219 HA PHE 621 HA PHE 621 -1.300 -4.382 -6.004 220 1HB PHE 621 1HB PHE 621 -1.233 -5.884 -4.049 221 2HB PHE 621 2HB PHE 621 0.126 -6.745 -4.765 222 HD1 PHE 621 HD1 PHE 621 -0.720 -3.144 -4.233 223 HD2 PHE 621 HD2 PHE 621 2.096 -6.288 -3.699 224 HE1 PHE 621 HE1 PHE 621 0.834 -1.563 -3.167 225 HE2 PHE 621 HE2 PHE 621 3.656 -4.714 -2.631 226 HZ PHE 621 HZ PHE 621 3.026 -2.348 -2.364 227 H LYS 622 H LYS 622 -0.051 -6.993 -7.842 228 HA LYS 622 HA LYS 622 2.604 -6.300 -8.231 229 1HB LYS 622 1HB LYS 622 0.579 -7.530 -10.098 230 2HB LYS 622 2HB LYS 622 2.275 -7.354 -10.529 231 1HG LYS 622 1HG LYS 622 1.306 -8.848 -8.104 232 2HG LYS 622 2HG LYS 622 1.644 -9.602 -9.664 233 1HD LYS 622 1HD LYS 622 3.840 -7.931 -8.851 234 2HD LYS 622 2HD LYS 622 3.452 -9.100 -7.585 235 1HE LYS 622 1HE LYS 622 4.326 -10.776 -8.760 236 2HE LYS 622 2HE LYS 622 3.392 -10.338 -10.189 237 1HZ LYS 622 1HZ LYS 622 5.706 -8.679 -9.548 238 2HZ LYS 622 2HZ LYS 622 6.015 -10.233 -10.141 239 3HZ LYS 622 3HZ LYS 622 5.094 -9.146 -11.053 240 H GLN 623 H GLN 623 -0.187 -4.589 -9.096 241 HA GLN 623 HA GLN 623 1.346 -2.852 -10.906 242 1HB GLN 623 1HB GLN 623 -1.653 -3.092 -10.853 243 2HB GLN 623 2HB GLN 623 -0.648 -2.339 -12.086 244 1HG GLN 623 1HG GLN 623 0.249 -4.511 -12.703 245 2HG GLN 623 2HG GLN 623 -0.717 -5.279 -11.447 246 2HE2 GLN 623 2HE2 GLN 623 -2.845 -5.657 -11.783 247 1HE2 GLN 623 1HE2 GLN 623 -3.638 -5.383 -13.289 248 H GLY 624 H GLY 624 -0.250 -3.110 -7.934 249 1HA GLY 624 1HA GLY 624 0.427 -0.496 -7.111 250 2HA GLY 624 2HA GLY 624 -0.608 -1.612 -6.237 251 H THR 625 H THR 625 -0.536 1.373 -7.441 252 HA THR 625 HA THR 625 -3.268 1.864 -7.144 253 HB THR 625 HB THR 625 -2.861 4.088 -7.856 254 HG1 THR 625 HG1 THR 625 -0.292 3.721 -8.799 255 1HG2 THR 625 1HG2 THR 625 -1.377 2.902 -5.895 256 2HG2 THR 625 2HG2 THR 625 -0.127 3.665 -6.880 257 3HG2 THR 625 3HG2 THR 625 -1.435 4.637 -6.205 258 H SER 626 H SER 626 -1.927 0.190 -9.656 259 HA SER 626 HA SER 626 -3.641 1.323 -11.720 260 1HB SER 626 1HB SER 626 -1.421 -0.681 -11.688 261 2HB SER 626 2HB SER 626 -2.572 -0.707 -13.024 262 HG SER 626 HG SER 626 -2.005 1.763 -12.864 263 H LYS 627 H LYS 627 -4.145 -0.700 -9.225 264 HA LYS 627 HA LYS 627 -6.517 -1.810 -10.411 265 1HB LYS 627 1HB LYS 627 -4.136 -3.504 -9.820 266 2HB LYS 627 2HB LYS 627 -5.726 -4.158 -9.451 267 1HG LYS 627 1HG LYS 627 -4.949 -3.068 -12.141 268 2HG LYS 627 2HG LYS 627 -4.829 -4.771 -11.695 269 1HD LYS 627 1HD LYS 627 -6.941 -4.990 -12.375 270 2HD LYS 627 2HD LYS 627 -7.412 -4.038 -10.967 271 1HE LYS 627 1HE LYS 627 -8.001 -2.303 -12.235 272 2HE LYS 627 2HE LYS 627 -6.484 -2.356 -13.131 273 1HZ LYS 627 1HZ LYS 627 -8.624 -4.303 -13.698 274 2HZ LYS 627 2HZ LYS 627 -8.674 -2.756 -14.379 275 3HZ LYS 627 3HZ LYS 627 -7.367 -3.780 -14.703 276 H LYS 628 H LYS 628 -7.895 -2.885 -8.829 277 HA LYS 628 HA LYS 628 -7.513 -1.731 -6.166 278 1HB LYS 628 1HB LYS 628 -10.007 -3.093 -7.156 279 2HB LYS 628 2HB LYS 628 -9.847 -1.916 -5.860 280 1HG LYS 628 1HG LYS 628 -9.239 -0.212 -7.564 281 2HG LYS 628 2HG LYS 628 -9.590 -1.407 -8.814 282 1HD LYS 628 1HD LYS 628 -11.692 -1.005 -6.784 283 2HD LYS 628 2HD LYS 628 -11.403 0.352 -7.874 284 1HE LYS 628 1HE LYS 628 -11.892 -0.942 -9.780 285 2HE LYS 628 2HE LYS 628 -11.783 -2.453 -8.879 286 1HZ LYS 628 1HZ LYS 628 -13.814 -0.464 -8.128 287 2HZ LYS 628 2HZ LYS 628 -14.088 -1.463 -9.465 288 3HZ LYS 628 3HZ LYS 628 -13.838 -2.144 -7.936 289 H CYS 629 H CYS 629 -6.328 -3.076 -4.918 290 HA CYS 629 HA CYS 629 -7.180 -5.895 -4.792 291 1HB CYS 629 1HB CYS 629 -4.791 -6.198 -3.818 292 2HB CYS 629 2HB CYS 629 -4.986 -6.012 -5.557 293 HG CYS 629 HG CYS 629 -3.131 -4.272 -3.533 294 H ILE 630 H ILE 630 -7.504 -3.097 -3.190 295 HA ILE 630 HA ILE 630 -7.037 -4.167 -0.511 296 HB ILE 630 HB ILE 630 -7.745 -1.423 -1.525 297 1HG1 ILE 630 1HG1 ILE 630 -5.522 -2.015 0.367 298 2HG1 ILE 630 2HG1 ILE 630 -5.340 -2.552 -1.301 299 1HG2 ILE 630 1HG2 ILE 630 -8.109 -2.557 1.189 300 2HG2 ILE 630 2HG2 ILE 630 -7.434 -0.932 1.068 301 3HG2 ILE 630 3HG2 ILE 630 -9.009 -1.288 0.359 302 1HD1 ILE 630 1HD1 ILE 630 -6.263 0.131 -1.326 303 2HD1 ILE 630 2HD1 ILE 630 -4.894 0.015 -0.219 304 3HD1 ILE 630 3HD1 ILE 630 -4.724 -0.517 -1.891 305 H GLN 631 H GLN 631 -8.601 -5.136 0.589 306 HA GLN 631 HA GLN 631 -11.363 -4.853 -0.322 307 1HB GLN 631 1HB GLN 631 -10.496 -7.130 -0.069 308 2HB GLN 631 2HB GLN 631 -10.130 -6.812 1.620 309 1HG GLN 631 1HG GLN 631 -12.483 -6.538 2.114 310 2HG GLN 631 2HG GLN 631 -12.884 -6.756 0.410 311 2HE2 GLN 631 2HE2 GLN 631 -13.369 -8.723 -0.244 312 1HE2 GLN 631 1HE2 GLN 631 -13.040 -10.187 0.611 313 H SER 632 H SER 632 -12.571 -3.380 0.635 314 HA SER 632 HA SER 632 -12.310 -3.011 3.533 315 1HB SER 632 1HB SER 632 -11.296 -1.157 1.899 316 2HB SER 632 2HB SER 632 -12.976 -0.621 1.884 317 HG SER 632 HG SER 632 -12.199 -1.193 4.396 318 H GLU 633 H GLU 633 -14.202 -1.680 4.363 319 HA GLU 633 HA GLU 633 -16.424 -1.321 4.671 320 1HB GLU 633 1HB GLU 633 -16.218 -1.496 1.829 321 2HB GLU 633 2HB GLU 633 -17.667 -2.353 2.336 322 1HG GLU 633 1HG GLU 633 -16.979 0.470 3.120 323 2HG GLU 633 2HG GLU 633 -18.062 0.022 1.801 324 H ASP 634 H ASP 634 -16.011 -4.339 2.765 325 HA ASP 634 HA ASP 634 -16.512 -6.079 4.872 326 1HB ASP 634 1HB ASP 634 -18.822 -6.750 4.561 327 2HB ASP 634 2HB ASP 634 -18.756 -5.025 4.916 328 H LYS 635 H LYS 635 -16.616 -5.429 1.458 329 HA LYS 635 HA LYS 635 -15.284 -7.809 0.778 330 1HB LYS 635 1HB LYS 635 -17.759 -8.523 1.329 331 2HB LYS 635 2HB LYS 635 -18.075 -7.913 -0.289 332 1HG LYS 635 1HG LYS 635 -17.710 -10.280 -0.392 333 2HG LYS 635 2HG LYS 635 -16.360 -9.454 -1.171 334 1HD LYS 635 1HD LYS 635 -15.433 -11.192 0.161 335 2HD LYS 635 2HD LYS 635 -15.109 -9.674 1.001 336 1HE LYS 635 1HE LYS 635 -15.879 -11.517 2.488 337 2HE LYS 635 2HE LYS 635 -16.890 -10.074 2.547 338 1HZ LYS 635 1HZ LYS 635 -17.781 -11.931 0.569 339 2HZ LYS 635 2HZ LYS 635 -17.745 -12.630 2.109 340 3HZ LYS 635 3HZ LYS 635 -18.640 -11.220 1.842 341 H LYS 636 H LYS 636 -15.713 -4.819 0.203 342 HA LYS 636 HA LYS 636 -15.858 -4.984 -2.728 343 1HB LYS 636 1HB LYS 636 -17.443 -3.412 -1.988 344 2HB LYS 636 2HB LYS 636 -16.355 -2.751 -0.776 345 1HG LYS 636 1HG LYS 636 -16.540 -1.145 -2.499 346 2HG LYS 636 2HG LYS 636 -14.943 -1.881 -2.648 347 1HD LYS 636 1HD LYS 636 -15.423 -2.306 -4.781 348 2HD LYS 636 2HD LYS 636 -16.635 -3.459 -4.217 349 1HE LYS 636 1HE LYS 636 -18.044 -2.159 -5.401 350 2HE LYS 636 2HE LYS 636 -18.006 -1.154 -3.954 351 1HZ LYS 636 1HZ LYS 636 -16.045 -0.009 -5.080 352 2HZ LYS 636 2HZ LYS 636 -16.566 -0.761 -6.502 353 3HZ LYS 636 3HZ LYS 636 -17.590 0.312 -5.689 354 H TRP 637 H TRP 637 -14.198 -4.224 -4.007 355 HA TRP 637 HA TRP 637 -11.648 -3.847 -2.619 356 1HB TRP 637 1HB TRP 637 -12.229 -4.498 -5.515 357 2HB TRP 637 2HB TRP 637 -10.619 -4.334 -4.823 358 HD1 TRP 637 HD1 TRP 637 -12.627 -6.054 -2.300 359 HE1 TRP 637 HE1 TRP 637 -12.268 -8.600 -2.405 360 HE3 TRP 637 HE3 TRP 637 -10.316 -6.366 -6.852 361 HZ2 TRP 637 HZ2 TRP 637 -11.154 -10.489 -4.176 362 HZ3 TRP 637 HZ3 TRP 637 -9.635 -8.580 -7.677 363 HH2 TRP 637 HH2 TRP 637 -10.044 -10.599 -6.367 364 H PHE 638 H PHE 638 -10.342 -2.102 -2.908 365 HA PHE 638 HA PHE 638 -11.351 0.106 -4.573 366 1HB PHE 638 1HB PHE 638 -10.331 0.229 -1.732 367 2HB PHE 638 2HB PHE 638 -10.452 1.647 -2.765 368 HD1 PHE 638 HD1 PHE 638 -12.560 2.662 -3.233 369 HD2 PHE 638 HD2 PHE 638 -12.345 -0.930 -0.964 370 HE1 PHE 638 HE1 PHE 638 -14.911 2.944 -2.571 371 HE2 PHE 638 HE2 PHE 638 -14.695 -0.655 -0.295 372 HZ PHE 638 HZ PHE 638 -15.959 1.332 -1.036 373 H THR 639 H THR 639 -9.688 1.698 -5.131 374 HA THR 639 HA THR 639 -7.103 0.397 -5.584 375 HB THR 639 HB THR 639 -7.177 2.978 -6.778 376 HG1 THR 639 HG1 THR 639 -9.413 1.456 -7.615 377 1HG2 THR 639 1HG2 THR 639 -6.676 0.252 -7.483 378 2HG2 THR 639 2HG2 THR 639 -7.678 0.997 -8.728 379 3HG2 THR 639 3HG2 THR 639 -6.130 1.721 -8.290 380 HA PRO 640 HA PRO 640 -4.791 2.577 -2.516 381 1HB PRO 640 1HB PRO 640 -3.163 3.635 -4.795 382 2HB PRO 640 2HB PRO 640 -2.627 2.924 -3.266 383 1HG PRO 640 1HG PRO 640 -2.579 1.476 -5.485 384 2HG PRO 640 2HG PRO 640 -3.113 0.752 -3.956 385 1HD PRO 640 1HD PRO 640 -4.724 1.611 -6.314 386 2HD PRO 640 2HD PRO 640 -4.995 0.264 -5.190 387 H ARG 641 H ARG 641 -6.066 4.280 -5.278 388 HA ARG 641 HA ARG 641 -5.694 6.884 -4.028 389 1HB ARG 641 1HB ARG 641 -5.391 7.147 -6.296 390 2HB ARG 641 2HB ARG 641 -6.575 5.914 -6.707 391 1HG ARG 641 1HG ARG 641 -7.437 8.010 -7.413 392 2HG ARG 641 2HG ARG 641 -8.364 7.504 -5.999 393 1HD ARG 641 1HD ARG 641 -7.288 9.057 -4.603 394 2HD ARG 641 2HD ARG 641 -5.987 9.326 -5.763 395 HE ARG 641 HE ARG 641 -8.758 10.206 -6.262 396 1HH1 ARG 641 1HH1 ARG 641 -5.319 10.779 -6.231 397 2HH1 ARG 641 2HH1 ARG 641 -5.446 12.355 -6.938 398 1HH2 ARG 641 1HH2 ARG 641 -8.932 12.281 -7.191 399 2HH2 ARG 641 2HH2 ARG 641 -7.498 13.209 -7.483 400 H GLU 642 H GLU 642 -8.341 4.727 -4.994 401 HA GLU 642 HA GLU 642 -10.434 6.380 -4.033 402 1HB GLU 642 1HB GLU 642 -10.214 3.483 -4.783 403 2HB GLU 642 2HB GLU 642 -11.674 4.079 -4.006 404 1HG GLU 642 1HG GLU 642 -10.789 5.717 -6.252 405 2HG GLU 642 2HG GLU 642 -11.195 4.059 -6.691 406 H PHE 643 H PHE 643 -8.232 4.225 -2.534 407 HA PHE 643 HA PHE 643 -9.753 3.765 -0.145 408 1HB PHE 643 1HB PHE 643 -7.807 2.350 -1.197 409 2HB PHE 643 2HB PHE 643 -6.775 3.449 -0.291 410 HD1 PHE 643 HD1 PHE 643 -5.869 2.064 1.339 411 HD2 PHE 643 HD2 PHE 643 -10.078 2.084 0.717 412 HE1 PHE 643 HE1 PHE 643 -6.168 0.690 3.354 413 HE2 PHE 643 HE2 PHE 643 -10.387 0.710 2.733 414 HZ PHE 643 HZ PHE 643 -8.430 0.011 4.056 415 H GLU 644 H GLU 644 -7.218 5.952 -1.209 416 HA GLU 644 HA GLU 644 -6.657 7.123 1.301 417 1HB GLU 644 1HB GLU 644 -5.070 7.496 -0.413 418 2HB GLU 644 2HB GLU 644 -6.298 8.040 -1.546 419 1HG GLU 644 1HG GLU 644 -6.071 9.668 0.879 420 2HG GLU 644 2HG GLU 644 -4.638 9.663 -0.149 421 H ILE 645 H ILE 645 -9.056 7.686 -1.170 422 HA ILE 645 HA ILE 645 -10.053 10.153 -0.203 423 HB ILE 645 HB ILE 645 -11.185 8.019 -1.994 424 1HG1 ILE 645 1HG1 ILE 645 -10.891 10.845 -2.828 425 2HG1 ILE 645 2HG1 ILE 645 -9.396 9.974 -2.502 426 1HG2 ILE 645 1HG2 ILE 645 -13.000 9.098 -0.616 427 2HG2 ILE 645 2HG2 ILE 645 -12.584 10.614 -1.415 428 3HG2 ILE 645 3HG2 ILE 645 -13.166 9.247 -2.365 429 1HD1 ILE 645 1HD1 ILE 645 -10.194 8.204 -4.080 430 2HD1 ILE 645 2HD1 ILE 645 -11.521 9.284 -4.509 431 3HD1 ILE 645 3HD1 ILE 645 -9.854 9.770 -4.816 432 H GLU 646 H GLU 646 -10.961 6.776 0.373 433 HA GLU 646 HA GLU 646 -13.171 7.436 2.077 434 1HB GLU 646 1HB GLU 646 -12.649 5.252 0.688 435 2HB GLU 646 2HB GLU 646 -11.845 4.765 2.174 436 1HG GLU 646 1HG GLU 646 -14.055 3.908 2.223 437 2HG GLU 646 2HG GLU 646 -13.963 5.222 3.393 438 H GLY 647 H GLY 647 -9.774 6.807 2.507 439 1HA GLY 647 1HA GLY 647 -8.526 6.478 4.457 440 2HA GLY 647 2HA GLY 647 -10.011 6.551 5.394 441 H ASP 648 H ASP 648 -10.130 9.078 3.330 442 HA ASP 648 HA ASP 648 -9.466 10.970 5.405 443 1HB ASP 648 1HB ASP 648 -7.366 10.349 3.869 444 2HB ASP 648 2HB ASP 648 -8.110 11.552 2.819 445 H ARG 649 H ARG 649 -9.515 11.453 1.900 446 HA ARG 649 HA ARG 649 -12.216 12.101 1.606 447 1HB ARG 649 1HB ARG 649 -11.366 13.966 3.190 448 2HB ARG 649 2HB ARG 649 -10.580 14.615 1.758 449 1HG ARG 649 1HG ARG 649 -12.600 15.762 1.874 450 2HG ARG 649 2HG ARG 649 -12.888 14.508 0.665 451 1HD ARG 649 1HD ARG 649 -14.586 13.721 1.858 452 2HD ARG 649 2HD ARG 649 -13.514 13.453 3.233 453 HE ARG 649 HE ARG 649 -14.415 15.295 4.228 454 1HH1 ARG 649 1HH1 ARG 649 -15.076 15.443 0.810 455 2HH1 ARG 649 2HH1 ARG 649 -16.085 16.845 0.935 456 1HH2 ARG 649 1HH2 ARG 649 -15.737 17.143 4.402 457 2HH2 ARG 649 2HH2 ARG 649 -16.460 17.812 2.977 458 H GLY 650 H GLY 650 -8.908 12.632 0.627 459 1HA GLY 650 1HA GLY 650 -9.824 12.811 -2.178 460 2HA GLY 650 2HA GLY 650 -8.426 11.860 -1.689 461 H ALA 651 H ALA 651 -9.074 14.923 -0.203 462 HA ALA 651 HA ALA 651 -7.563 16.557 -1.956 463 1HB ALA 651 1HB ALA 651 -7.532 17.584 0.715 464 2HB ALA 651 2HB ALA 651 -8.432 18.161 -0.688 465 3HB ALA 651 3HB ALA 651 -9.127 16.921 0.356 466 H SER 652 H SER 652 -6.687 14.242 0.379 467 HA SER 652 HA SER 652 -4.273 15.256 1.364 468 1HB SER 652 1HB SER 652 -5.677 12.970 1.775 469 2HB SER 652 2HB SER 652 -4.336 12.352 0.808 470 HG SER 652 HG SER 652 -3.116 12.544 2.496 471 H LYS 653 H LYS 653 -5.093 13.968 -1.733 472 HA LYS 653 HA LYS 653 -3.959 13.784 -3.686 473 1HB LYS 653 1HB LYS 653 -3.098 16.084 -2.767 474 2HB LYS 653 2HB LYS 653 -1.588 15.211 -2.547 475 1HG LYS 653 1HG LYS 653 -1.149 15.154 -4.745 476 2HG LYS 653 2HG LYS 653 -2.837 14.874 -5.180 477 1HD LYS 653 1HD LYS 653 -3.013 17.008 -5.776 478 2HD LYS 653 2HD LYS 653 -2.676 17.483 -4.110 479 1HE LYS 653 1HE LYS 653 -0.877 18.503 -4.969 480 2HE LYS 653 2HE LYS 653 -0.182 16.884 -5.042 481 1HZ LYS 653 1HZ LYS 653 -1.631 17.066 -7.331 482 2HZ LYS 653 2HZ LYS 653 -0.986 18.621 -7.174 483 3HZ LYS 653 3HZ LYS 653 0.042 17.277 -7.207 484 H ASN 654 H ASN 654 -1.087 13.812 -1.586 485 HA ASN 654 HA ASN 654 0.093 11.597 -2.827 486 1HB ASN 654 1HB ASN 654 0.615 13.211 -0.406 487 2HB ASN 654 2HB ASN 654 1.305 11.591 -0.406 488 2HD2 ASN 654 2HD2 ASN 654 2.920 13.782 -0.352 489 1HD2 ASN 654 1HD2 ASN 654 3.760 13.931 -1.855 490 H TRP 655 H TRP 655 -0.756 9.633 -2.876 491 HA TRP 655 HA TRP 655 -2.315 8.611 -0.652 492 1HB TRP 655 1HB TRP 655 -2.511 6.577 -2.201 493 2HB TRP 655 2HB TRP 655 -3.256 8.075 -2.750 494 HD1 TRP 655 HD1 TRP 655 -2.425 9.071 -5.008 495 HE1 TRP 655 HE1 TRP 655 -0.697 8.338 -6.768 496 HE3 TRP 655 HE3 TRP 655 -0.145 5.320 -2.390 497 HZ2 TRP 655 HZ2 TRP 655 1.362 6.417 -7.014 498 HZ3 TRP 655 HZ3 TRP 655 1.691 4.082 -3.458 499 HH2 TRP 655 HH2 TRP 655 2.429 4.618 -5.721 500 H LYS 656 H LYS 656 0.891 8.421 -1.858 501 HA LYS 656 HA LYS 656 1.657 5.893 -0.885 502 1HB LYS 656 1HB LYS 656 3.580 8.183 -0.937 503 2HB LYS 656 2HB LYS 656 3.839 6.504 -1.386 504 1HG LYS 656 1HG LYS 656 3.495 7.006 -3.510 505 2HG LYS 656 2HG LYS 656 1.880 7.602 -3.127 506 1HD LYS 656 1HD LYS 656 2.517 9.736 -3.319 507 2HD LYS 656 2HD LYS 656 3.974 9.469 -2.360 508 1HE LYS 656 1HE LYS 656 5.240 8.876 -4.213 509 2HE LYS 656 2HE LYS 656 3.818 8.480 -5.179 510 1HZ LYS 656 1HZ LYS 656 3.315 10.980 -4.946 511 2HZ LYS 656 2HZ LYS 656 4.953 11.125 -4.554 512 3HZ LYS 656 3HZ LYS 656 4.496 10.487 -6.052 513 H LEU 657 H LEU 657 0.993 8.835 0.732 514 HA LEU 657 HA LEU 657 2.262 7.810 3.183 515 1HB LEU 657 1HB LEU 657 1.512 10.661 2.549 516 2HB LEU 657 2HB LEU 657 2.359 10.100 3.978 517 HG LEU 657 HG LEU 657 3.627 9.468 1.378 518 1HD1 LEU 657 1HD1 LEU 657 2.735 11.817 1.162 519 2HD1 LEU 657 2HD1 LEU 657 3.803 12.253 2.496 520 3HD1 LEU 657 3HD1 LEU 657 4.481 11.635 0.989 521 1HD2 LEU 657 1HD2 LEU 657 4.352 9.280 4.001 522 2HD2 LEU 657 2HD2 LEU 657 5.472 9.297 2.639 523 3HD2 LEU 657 3HD2 LEU 657 5.128 10.788 3.517 524 H SER 658 H SER 658 -0.701 8.884 1.729 525 HA SER 658 HA SER 658 -2.185 9.316 4.096 526 1HB SER 658 1HB SER 658 -2.854 10.111 1.821 527 2HB SER 658 2HB SER 658 -3.253 8.443 1.404 528 HG SER 658 HG SER 658 -4.374 9.385 3.748 529 H ILE 659 H ILE 659 -1.315 6.439 2.342 530 HA ILE 659 HA ILE 659 -3.027 4.846 4.139 531 HB ILE 659 HB ILE 659 -1.847 3.904 1.529 532 1HG1 ILE 659 1HG1 ILE 659 -4.615 4.995 2.087 533 2HG1 ILE 659 2HG1 ILE 659 -3.383 5.757 1.087 534 1HG2 ILE 659 1HG2 ILE 659 -3.969 2.791 3.358 535 2HG2 ILE 659 2HG2 ILE 659 -3.604 2.155 1.754 536 3HG2 ILE 659 3HG2 ILE 659 -2.379 2.105 3.022 537 1HD1 ILE 659 1HD1 ILE 659 -4.137 3.015 0.329 538 2HD1 ILE 659 2HD1 ILE 659 -5.377 4.252 0.120 539 3HD1 ILE 659 3HD1 ILE 659 -3.811 4.429 -0.675 540 H ARG 660 H ARG 660 -2.155 3.197 5.314 541 HA ARG 660 HA ARG 660 0.782 2.969 5.272 542 1HB ARG 660 1HB ARG 660 -0.699 2.071 7.675 543 2HB ARG 660 2HB ARG 660 0.838 2.915 7.549 544 1HG ARG 660 1HG ARG 660 -0.562 4.955 6.868 545 2HG ARG 660 2HG ARG 660 -1.935 4.048 7.508 546 1HD ARG 660 1HD ARG 660 -0.153 3.762 9.525 547 2HD ARG 660 2HD ARG 660 0.300 5.352 8.912 548 HE ARG 660 HE ARG 660 -2.189 4.623 10.217 549 1HH1 ARG 660 1HH1 ARG 660 -0.415 7.000 8.386 550 2HH1 ARG 660 2HH1 ARG 660 -1.452 8.311 8.839 551 1HH2 ARG 660 1HH2 ARG 660 -3.560 6.343 10.817 552 2HH2 ARG 660 2HH2 ARG 660 -3.240 7.937 10.220 553 H CYS 661 H CYS 661 1.585 0.811 6.103 554 HA CYS 661 HA CYS 661 -0.221 -1.407 5.484 555 1HB CYS 661 1HB CYS 661 1.061 -0.766 3.408 556 2HB CYS 661 2HB CYS 661 2.532 -1.218 4.260 557 HG CYS 661 HG CYS 661 2.079 -3.871 4.355 558 H GLY 662 H GLY 662 -0.212 -2.260 7.504 559 1HA GLY 662 1HA GLY 662 1.910 -3.887 8.325 560 2HA GLY 662 2HA GLY 662 0.556 -3.407 9.336 561 H GLY 663 H GLY 663 1.824 -0.566 8.417 562 1HA GLY 663 1HA GLY 663 4.057 -0.519 10.287 563 2HA GLY 663 2HA GLY 663 2.658 0.449 10.722 564 H TYR 664 H TYR 664 4.578 -0.143 7.761 565 HA TYR 664 HA TYR 664 5.038 2.739 7.573 566 1HB TYR 664 1HB TYR 664 6.336 0.364 6.238 567 2HB TYR 664 2HB TYR 664 6.666 2.023 5.750 568 HD1 TYR 664 HD1 TYR 664 7.676 -0.608 7.858 569 HD2 TYR 664 HD2 TYR 664 7.397 3.634 7.697 570 HE1 TYR 664 HE1 TYR 664 9.385 -0.436 9.616 571 HE2 TYR 664 HE2 TYR 664 9.108 3.819 9.454 572 HH TYR 664 HH TYR 664 9.880 1.934 11.475 573 H THR 665 H THR 665 4.389 3.971 5.875 574 HA THR 665 HA THR 665 2.111 3.119 4.398 575 HB THR 665 HB THR 665 2.090 5.312 3.437 576 HG1 THR 665 HG1 THR 665 3.862 6.535 3.243 577 1HG2 THR 665 1HG2 THR 665 2.428 4.901 6.257 578 2HG2 THR 665 2HG2 THR 665 3.064 6.482 5.805 579 3HG2 THR 665 3HG2 THR 665 1.396 6.059 5.419 580 H LEU 666 H LEU 666 1.998 3.441 1.950 581 HA LEU 666 HA LEU 666 3.685 1.636 0.662 582 1HB LEU 666 1HB LEU 666 1.947 3.840 -0.425 583 2HB LEU 666 2HB LEU 666 2.878 2.795 -1.478 584 HG LEU 666 HG LEU 666 0.806 1.776 -1.521 585 1HD1 LEU 666 1HD1 LEU 666 2.787 0.376 -0.325 586 2HD1 LEU 666 2HD1 LEU 666 1.523 0.265 0.904 587 3HD1 LEU 666 3HD1 LEU 666 1.210 -0.295 -0.740 588 1HD2 LEU 666 1HD2 LEU 666 0.468 3.174 0.948 589 2HD2 LEU 666 2HD2 LEU 666 -0.757 2.502 -0.128 590 3HD2 LEU 666 3HD2 LEU 666 -0.056 1.502 1.146 591 H LYS 667 H LYS 667 4.044 5.026 1.283 592 HA LYS 667 HA LYS 667 5.987 5.691 -0.612 593 1HB LYS 667 1HB LYS 667 4.817 7.351 0.782 594 2HB LYS 667 2HB LYS 667 5.661 6.751 2.203 595 1HG LYS 667 1HG LYS 667 6.784 8.712 1.551 596 2HG LYS 667 2HG LYS 667 7.811 7.371 1.038 597 1HD LYS 667 1HD LYS 667 5.877 8.170 -0.991 598 2HD LYS 667 2HD LYS 667 6.981 9.471 -0.540 599 1HE LYS 667 1HE LYS 667 8.640 7.285 -0.752 600 2HE LYS 667 2HE LYS 667 7.478 7.029 -2.053 601 1HZ LYS 667 1HZ LYS 667 8.639 9.698 -1.759 602 2HZ LYS 667 2HZ LYS 667 9.622 8.479 -2.396 603 3HZ LYS 667 3HZ LYS 667 8.165 8.875 -3.158 604 H VAL 668 H VAL 668 6.258 4.320 2.634 605 HA VAL 668 HA VAL 668 9.138 4.164 2.509 606 HB VAL 668 HB VAL 668 7.379 2.785 4.529 607 1HG1 VAL 668 1HG1 VAL 668 10.204 3.088 4.147 608 2HG1 VAL 668 2HG1 VAL 668 9.720 3.843 5.665 609 3HG1 VAL 668 3HG1 VAL 668 9.338 2.148 5.362 610 1HG2 VAL 668 1HG2 VAL 668 7.645 5.608 4.053 611 2HG2 VAL 668 2HG2 VAL 668 6.648 4.763 5.238 612 3HG2 VAL 668 3HG2 VAL 668 8.316 5.185 5.628 613 H LEU 669 H LEU 669 6.392 1.967 2.177 614 HA LEU 669 HA LEU 669 7.863 -0.435 2.082 615 1HB LEU 669 1HB LEU 669 5.131 0.416 1.611 616 2HB LEU 669 2HB LEU 669 5.629 -0.791 0.441 617 HG LEU 669 HG LEU 669 6.314 -2.263 2.349 618 1HD1 LEU 669 1HD1 LEU 669 6.007 0.059 3.840 619 2HD1 LEU 669 2HD1 LEU 669 4.634 -0.947 4.297 620 3HD1 LEU 669 3HD1 LEU 669 6.276 -1.569 4.461 621 1HD2 LEU 669 1HD2 LEU 669 3.564 -1.440 1.671 622 2HD2 LEU 669 2HD2 LEU 669 4.334 -3.024 1.576 623 3HD2 LEU 669 3HD2 LEU 669 3.749 -2.420 3.126 624 H MET 670 H MET 670 7.177 2.032 -0.270 625 HA MET 670 HA MET 670 8.185 0.436 -2.480 626 1HB MET 670 1HB MET 670 7.535 2.189 -3.900 627 2HB MET 670 2HB MET 670 6.299 2.171 -2.652 628 1HG MET 670 1HG MET 670 6.883 4.191 -1.849 629 2HG MET 670 2HG MET 670 8.600 3.942 -2.160 630 1HE MET 670 1HE MET 670 5.281 3.975 -3.929 631 2HE MET 670 2HE MET 670 5.285 5.731 -3.766 632 3HE MET 670 3HE MET 670 5.498 4.992 -5.353 633 H GLU 671 H GLU 671 9.399 2.303 -0.008 634 HA GLU 671 HA GLU 671 11.779 3.167 -1.456 635 1HB GLU 671 1HB GLU 671 10.583 4.669 0.187 636 2HB GLU 671 2HB GLU 671 11.130 3.587 1.462 637 1HG GLU 671 1HG GLU 671 13.473 4.032 0.721 638 2HG GLU 671 2HG GLU 671 12.831 5.258 -0.371 639 H ASN 672 H ASN 672 10.705 0.669 0.687 640 HA ASN 672 HA ASN 672 13.352 -0.035 1.577 641 1HB ASN 672 1HB ASN 672 10.752 -1.559 1.877 642 2HB ASN 672 2HB ASN 672 12.255 -1.895 2.728 643 2HD2 ASN 672 2HD2 ASN 672 9.509 -1.113 3.611 644 1HD2 ASN 672 1HD2 ASN 672 9.748 0.250 4.646 645 H LYS 673 H LYS 673 10.937 -2.164 0.074 646 HA LYS 673 HA LYS 673 12.095 -2.773 -2.318 647 1HB LYS 673 1HB LYS 673 13.526 -4.679 -1.983 648 2HB LYS 673 2HB LYS 673 14.138 -3.350 -1.008 649 1HG LYS 673 1HG LYS 673 12.921 -4.370 0.948 650 2HG LYS 673 2HG LYS 673 12.626 -5.776 -0.077 651 1HD LYS 673 1HD LYS 673 14.563 -6.426 0.964 652 2HD LYS 673 2HD LYS 673 15.224 -5.629 -0.464 653 1HE LYS 673 1HE LYS 673 15.944 -3.798 0.721 654 2HE LYS 673 2HE LYS 673 14.736 -4.010 1.987 655 1HZ LYS 673 1HZ LYS 673 17.011 -5.870 1.599 656 2HZ LYS 673 2HZ LYS 673 17.078 -4.535 2.636 657 3HZ LYS 673 3HZ LYS 673 15.967 -5.777 2.926 658 H PHE 674 H PHE 674 9.619 -2.940 -0.583 659 HA PHE 674 HA PHE 674 8.865 -5.735 -1.044 660 1HB PHE 674 1HB PHE 674 7.291 -3.629 0.442 661 2HB PHE 674 2HB PHE 674 7.041 -5.373 0.470 662 HD1 PHE 674 HD1 PHE 674 8.088 -2.832 2.437 663 HD2 PHE 674 HD2 PHE 674 9.485 -6.597 1.026 664 HE1 PHE 674 HE1 PHE 674 9.562 -3.014 4.398 665 HE2 PHE 674 HE2 PHE 674 10.961 -6.786 2.985 666 HZ PHE 674 HZ PHE 674 11.011 -4.981 4.668 667 H LEU 675 H LEU 675 8.321 -2.547 -2.221 668 HA LEU 675 HA LEU 675 5.864 -3.249 -3.592 669 1HB LEU 675 1HB LEU 675 6.934 -0.899 -2.624 670 2HB LEU 675 2HB LEU 675 7.132 -0.740 -4.359 671 HG LEU 675 HG LEU 675 4.521 -1.626 -4.073 672 1HD1 LEU 675 1HD1 LEU 675 5.319 -0.525 -1.595 673 2HD1 LEU 675 2HD1 LEU 675 4.250 0.641 -2.376 674 3HD1 LEU 675 3HD1 LEU 675 3.703 -1.013 -2.107 675 1HD2 LEU 675 1HD2 LEU 675 5.902 0.914 -4.704 676 2HD2 LEU 675 2HD2 LEU 675 4.791 -0.047 -5.680 677 3HD2 LEU 675 3HD2 LEU 675 4.167 0.991 -4.398 678 HA PRO 676 HA PRO 676 7.887 -4.578 -7.307 679 1HB PRO 676 1HB PRO 676 5.820 -4.355 -9.037 680 2HB PRO 676 2HB PRO 676 5.902 -5.627 -7.813 681 1HG PRO 676 1HG PRO 676 4.390 -3.041 -7.759 682 2HG PRO 676 2HG PRO 676 3.854 -4.661 -7.274 683 1HD PRO 676 1HD PRO 676 4.672 -2.796 -5.486 684 2HD PRO 676 2HD PRO 676 4.910 -4.537 -5.230 685 H GLU 677 H GLU 677 6.620 -1.442 -6.843 686 HA GLU 677 HA GLU 677 6.952 -0.241 -9.332 687 1HB GLU 677 1HB GLU 677 6.750 0.642 -6.548 688 2HB GLU 677 2HB GLU 677 7.705 1.727 -7.551 689 1HG GLU 677 1HG GLU 677 5.777 1.711 -9.180 690 2HG GLU 677 2HG GLU 677 4.844 0.898 -7.924 691 HA PRO 678 HA PRO 678 11.218 0.076 -10.398 692 1HB PRO 678 1HB PRO 678 10.911 3.044 -10.254 693 2HB PRO 678 2HB PRO 678 11.577 2.043 -11.551 694 1HG PRO 678 1HG PRO 678 9.140 3.086 -11.763 695 2HG PRO 678 2HG PRO 678 9.480 1.445 -12.343 696 1HD PRO 678 1HD PRO 678 8.031 2.330 -9.895 697 2HD PRO 678 2HD PRO 678 7.753 0.908 -10.922 698 HA PRO 679 HA PRO 679 13.914 0.593 -6.936 699 1HB PRO 679 1HB PRO 679 15.396 2.608 -8.583 700 2HB PRO 679 2HB PRO 679 16.022 1.247 -7.643 701 1HG PRO 679 1HG PRO 679 15.814 1.058 -10.280 702 2HG PRO 679 2HG PRO 679 15.394 -0.318 -9.244 703 1HD PRO 679 1HD PRO 679 13.611 1.545 -10.733 704 2HD PRO 679 2HD PRO 679 13.385 -0.175 -10.352 705 H SER 680 H SER 680 14.413 2.008 -5.224 706 HA SER 680 HA SER 680 13.020 4.601 -5.347 707 1HB SER 680 1HB SER 680 13.004 4.189 -2.734 708 2HB SER 680 2HB SER 680 11.781 3.455 -3.773 709 HG SER 680 HG SER 680 14.029 2.275 -2.558 710 H THR 681 H THR 681 14.481 6.146 -5.575 711 HA THR 681 HA THR 681 16.151 7.596 -5.098 712 HB THR 681 HB THR 681 17.086 7.783 -2.986 713 HG1 THR 681 HG1 THR 681 18.090 5.762 -2.829 714 1HG2 THR 681 1HG2 THR 681 14.507 6.258 -2.627 715 2HG2 THR 681 2HG2 THR 681 15.310 7.175 -1.353 716 3HG2 THR 681 3HG2 THR 681 14.699 8.005 -2.785 717 H ARG 682 H ARG 682 17.264 4.300 -4.262 718 HA ARG 682 HA ARG 682 19.044 3.082 -4.973 719 1HB ARG 682 1HB ARG 682 18.128 4.347 -7.234 720 2HB ARG 682 2HB ARG 682 19.821 4.820 -7.204 721 1HG ARG 682 1HG ARG 682 20.402 2.396 -6.987 722 2HG ARG 682 2HG ARG 682 18.699 2.031 -7.267 723 1HD ARG 682 1HD ARG 682 18.838 2.477 -9.466 724 2HD ARG 682 2HD ARG 682 19.882 3.875 -9.214 725 HE ARG 682 HE ARG 682 21.614 1.951 -8.761 726 1HH1 ARG 682 1HH1 ARG 682 19.164 2.129 -11.233 727 2HH1 ARG 682 2HH1 ARG 682 20.057 1.173 -12.367 728 1HH2 ARG 682 1HH2 ARG 682 22.795 0.691 -10.249 729 2HH2 ARG 682 2HH2 ARG 682 22.120 0.354 -11.807 730 H LYS 683 H LYS 683 21.460 3.245 -5.437 731 HA LYS 683 HA LYS 683 23.530 3.923 -4.786 732 1HB LYS 683 1HB LYS 683 22.283 6.193 -5.890 733 2HB LYS 683 2HB LYS 683 23.093 6.746 -4.431 734 1HG LYS 683 1HG LYS 683 24.514 5.063 -6.462 735 2HG LYS 683 2HG LYS 683 24.389 6.815 -6.632 736 1HD LYS 683 1HD LYS 683 25.631 7.206 -4.686 737 2HD LYS 683 2HD LYS 683 25.407 5.555 -4.106 738 1HE LYS 683 1HE LYS 683 27.031 4.705 -5.481 739 2HE LYS 683 2HE LYS 683 26.819 5.970 -6.690 740 1HZ LYS 683 1HZ LYS 683 27.784 7.500 -4.898 741 2HZ LYS 683 2HZ LYS 683 28.324 6.078 -4.155 742 3HZ LYS 683 3HZ LYS 683 28.846 6.467 -5.715 743 H LYS 684 H LYS 684 21.024 3.861 -2.832 744 HA LYS 684 HA LYS 684 20.630 4.093 -0.602 745 1HB LYS 684 1HB LYS 684 22.684 2.539 -0.763 746 2HB LYS 684 2HB LYS 684 23.605 3.928 -0.203 747 1HG LYS 684 1HG LYS 684 23.177 3.051 1.821 748 2HG LYS 684 2HG LYS 684 21.642 3.902 1.635 749 1HD LYS 684 1HD LYS 684 20.796 1.748 0.537 750 2HD LYS 684 2HD LYS 684 22.236 0.987 1.217 751 1HE LYS 684 1HE LYS 684 20.151 2.486 2.800 752 2HE LYS 684 2HE LYS 684 20.240 0.732 2.651 753 1HZ LYS 684 1HZ LYS 684 22.750 1.588 3.452 754 2HZ LYS 684 2HZ LYS 684 21.646 2.432 4.414 755 3HZ LYS 684 3HZ LYS 684 21.610 0.741 4.372 756 H VAL 685 H VAL 685 20.270 6.456 -1.447 757 HA VAL 685 HA VAL 685 22.138 8.372 -0.330 758 HB VAL 685 HB VAL 685 20.974 8.764 -2.508 759 1HG1 VAL 685 1HG1 VAL 685 18.560 9.010 -0.728 760 2HG1 VAL 685 2HG1 VAL 685 18.632 9.645 -2.372 761 3HG1 VAL 685 3HG1 VAL 685 18.797 7.913 -2.089 762 1HG2 VAL 685 1HG2 VAL 685 21.947 10.580 -1.071 763 2HG2 VAL 685 2HG2 VAL 685 20.688 11.100 -2.191 764 3HG2 VAL 685 3HG2 VAL 685 20.314 10.889 -0.481 765 H THR 686 H THR 686 21.025 6.645 1.572 766 HA THR 686 HA THR 686 20.164 6.673 3.671 767 HB THR 686 HB THR 686 19.538 9.565 3.701 768 HG1 THR 686 HG1 THR 686 22.221 8.615 3.517 769 1HG2 THR 686 1HG2 THR 686 20.534 7.467 5.506 770 2HG2 THR 686 2HG2 THR 686 21.258 9.058 5.740 771 3HG2 THR 686 3HG2 THR 686 19.507 8.861 5.844 772 H ILE 687 H ILE 687 18.174 6.912 4.881 773 HA ILE 687 HA ILE 687 15.885 6.479 3.276 774 HB ILE 687 HB ILE 687 15.947 7.100 6.232 775 1HG1 ILE 687 1HG1 ILE 687 15.659 4.374 5.968 776 2HG1 ILE 687 2HG1 ILE 687 16.824 4.756 4.705 777 1HG2 ILE 687 1HG2 ILE 687 13.726 7.234 5.254 778 2HG2 ILE 687 2HG2 ILE 687 13.928 5.634 4.539 779 3HG2 ILE 687 3HG2 ILE 687 13.861 5.815 6.292 780 1HD1 ILE 687 1HD1 ILE 687 17.842 6.156 6.783 781 2HD1 ILE 687 2HD1 ILE 687 17.118 4.780 7.617 782 3HD1 ILE 687 3HD1 ILE 687 18.315 4.513 6.350 783 H LYS 688 H LYS 688 14.051 7.727 2.957 784 HA LYS 688 HA LYS 688 12.865 9.617 2.526 785 1HB LYS 688 1HB LYS 688 13.322 9.644 5.194 786 2HB LYS 688 2HB LYS 688 14.074 11.166 4.736 787 1HG LYS 688 1HG LYS 688 12.106 12.163 4.491 788 2HG LYS 688 2HG LYS 688 11.483 10.846 3.495 789 1HD LYS 688 1HD LYS 688 11.743 10.200 6.344 790 2HD LYS 688 2HD LYS 688 10.581 11.479 5.988 791 1HE LYS 688 1HE LYS 688 10.590 8.877 4.489 792 2HE LYS 688 2HE LYS 688 9.724 9.070 6.013 793 1HZ LYS 688 1HZ LYS 688 9.193 11.158 4.105 794 2HZ LYS 688 2HZ LYS 688 8.719 9.625 3.568 795 3HZ LYS 688 3HZ LYS 688 8.116 10.235 5.026 No H/Q in entry = 795 Start of MODEL 6 1 H1 MET 594 H1 MET 594 15.777 -9.981 3.597 2 H2 MET 594 H2 MET 594 15.318 -11.202 4.674 3 H3 MET 594 H3 MET 594 16.081 -11.601 3.216 4 HA MET 594 HA MET 594 14.240 -11.174 1.940 5 1HB MET 594 1HB MET 594 13.712 -12.471 4.548 6 2HB MET 594 2HB MET 594 12.287 -12.026 3.618 7 1HG MET 594 1HG MET 594 13.703 -13.214 1.690 8 2HG MET 594 2HG MET 594 14.339 -14.078 3.088 9 1HE MET 594 1HE MET 594 12.892 -15.048 0.563 10 2HE MET 594 2HE MET 594 12.932 -16.460 1.618 11 3HE MET 594 3HE MET 594 11.409 -15.941 0.896 12 H ASP 595 H ASP 595 12.818 -10.365 5.085 13 HA ASP 595 HA ASP 595 11.916 -7.805 3.938 14 1HB ASP 595 1HB ASP 595 9.825 -8.024 5.124 15 2HB ASP 595 2HB ASP 595 10.082 -9.484 4.175 16 H GLU 596 H GLU 596 10.908 -6.520 6.039 17 HA GLU 596 HA GLU 596 13.065 -6.519 8.047 18 1HB GLU 596 1HB GLU 596 12.308 -4.449 6.238 19 2HB GLU 596 2HB GLU 596 11.906 -3.927 7.868 20 1HG GLU 596 1HG GLU 596 14.571 -5.136 7.492 21 2HG GLU 596 2HG GLU 596 14.305 -3.560 6.751 22 H ASN 597 H ASN 597 9.685 -5.837 7.355 23 HA ASN 597 HA ASN 597 9.007 -6.504 10.107 24 1HB ASN 597 1HB ASN 597 9.225 -3.851 9.427 25 2HB ASN 597 2HB ASN 597 7.515 -4.162 9.150 26 2HD2 ASN 597 2HD2 ASN 597 10.078 -4.618 11.544 27 1HD2 ASN 597 1HD2 ASN 597 9.060 -4.425 12.927 28 H ILE 598 H ILE 598 7.675 -5.375 7.000 29 HA ILE 598 HA ILE 598 5.520 -7.359 7.315 30 HB ILE 598 HB ILE 598 5.371 -4.915 5.555 31 1HG1 ILE 598 1HG1 ILE 598 5.635 -4.066 7.784 32 2HG1 ILE 598 2HG1 ILE 598 3.927 -3.952 7.372 33 1HG2 ILE 598 1HG2 ILE 598 3.783 -7.203 5.783 34 2HG2 ILE 598 2HG2 ILE 598 2.888 -5.920 6.596 35 3HG2 ILE 598 3HG2 ILE 598 3.399 -5.714 4.922 36 1HD1 ILE 598 1HD1 ILE 598 4.304 -6.456 8.599 37 2HD1 ILE 598 2HD1 ILE 598 5.162 -5.264 9.575 38 3HD1 ILE 598 3HD1 ILE 598 3.445 -5.050 9.226 39 H ASN 599 H ASN 599 6.021 -9.104 6.168 40 HA ASN 599 HA ASN 599 7.568 -8.923 3.730 41 1HB ASN 599 1HB ASN 599 6.696 -11.552 3.963 42 2HB ASN 599 2HB ASN 599 8.241 -10.915 4.515 43 2HD2 ASN 599 2HD2 ASN 599 5.486 -12.525 5.410 44 1HD2 ASN 599 1HD2 ASN 599 5.604 -12.341 7.124 45 H PHE 600 H PHE 600 6.696 -8.602 1.810 46 HA PHE 600 HA PHE 600 3.838 -8.919 1.434 47 1HB PHE 600 1HB PHE 600 4.110 -7.683 -0.582 48 2HB PHE 600 2HB PHE 600 5.148 -6.920 0.617 49 HD1 PHE 600 HD1 PHE 600 4.983 -8.530 -2.585 50 HD2 PHE 600 HD2 PHE 600 7.615 -7.395 0.561 51 HE1 PHE 600 HE1 PHE 600 6.900 -8.763 -4.110 52 HE2 PHE 600 HE2 PHE 600 9.537 -7.623 -0.959 53 HZ PHE 600 HZ PHE 600 9.180 -8.301 -3.300 54 H LYS 601 H LYS 601 6.381 -10.965 1.248 55 HA LYS 601 HA LYS 601 5.959 -12.267 -1.230 56 1HB LYS 601 1HB LYS 601 7.546 -12.715 1.181 57 2HB LYS 601 2HB LYS 601 7.008 -14.202 0.411 58 1HG LYS 601 1HG LYS 601 8.513 -11.976 -0.949 59 2HG LYS 601 2HG LYS 601 9.204 -13.496 -0.387 60 1HD LYS 601 1HD LYS 601 8.776 -14.270 -2.441 61 2HD LYS 601 2HD LYS 601 7.088 -14.325 -1.932 62 1HE LYS 601 1HE LYS 601 6.615 -12.239 -2.926 63 2HE LYS 601 2HE LYS 601 8.326 -11.860 -3.127 64 1HZ LYS 601 1HZ LYS 601 8.395 -13.843 -4.666 65 2HZ LYS 601 2HZ LYS 601 6.704 -13.825 -4.634 66 3HZ LYS 601 3HZ LYS 601 7.553 -12.491 -5.234 67 H GLN 602 H GLN 602 3.876 -11.993 1.277 68 HA GLN 602 HA GLN 602 2.871 -14.708 1.296 69 1HB GLN 602 1HB GLN 602 1.320 -12.422 2.432 70 2HB GLN 602 2HB GLN 602 1.494 -14.064 3.034 71 1HG GLN 602 1HG GLN 602 3.632 -11.948 3.122 72 2HG GLN 602 2HG GLN 602 2.588 -12.404 4.467 73 2HE2 GLN 602 2HE2 GLN 602 5.487 -12.990 2.885 74 1HE2 GLN 602 1HE2 GLN 602 5.931 -14.452 3.691 75 H SER 603 H SER 603 0.076 -14.041 1.430 76 HA SER 603 HA SER 603 -0.413 -13.542 -1.427 77 1HB SER 603 1HB SER 603 -1.700 -15.328 0.587 78 2HB SER 603 2HB SER 603 -2.711 -14.663 -0.694 79 HG SER 603 HG SER 603 -0.298 -15.688 -1.541 80 H GLU 604 H GLU 604 -1.148 -12.499 1.792 81 HA GLU 604 HA GLU 604 -2.709 -10.279 0.684 82 1HB GLU 604 1HB GLU 604 -3.526 -11.935 3.078 83 2HB GLU 604 2HB GLU 604 -4.311 -10.448 2.567 84 1HG GLU 604 1HG GLU 604 -5.043 -11.461 0.527 85 2HG GLU 604 2HG GLU 604 -4.104 -12.916 0.860 86 H LEU 605 H LEU 605 -2.082 -8.359 1.445 87 HA LEU 605 HA LEU 605 -0.381 -8.314 3.849 88 1HB LEU 605 1HB LEU 605 0.387 -7.576 1.380 89 2HB LEU 605 2HB LEU 605 -0.287 -6.055 1.933 90 HG LEU 605 HG LEU 605 1.225 -6.197 3.933 91 1HD1 LEU 605 1HD1 LEU 605 1.601 -8.804 3.074 92 2HD1 LEU 605 2HD1 LEU 605 3.110 -7.988 2.664 93 3HD1 LEU 605 3HD1 LEU 605 2.517 -7.963 4.325 94 1HD2 LEU 605 1HD2 LEU 605 1.749 -5.373 1.315 95 2HD2 LEU 605 2HD2 LEU 605 2.580 -4.864 2.786 96 3HD2 LEU 605 3HD2 LEU 605 3.205 -6.217 1.845 97 HA PRO 606 HA PRO 606 -3.616 -5.859 5.657 98 1HB PRO 606 1HB PRO 606 -2.268 -4.981 7.841 99 2HB PRO 606 2HB PRO 606 -2.873 -6.634 7.689 100 1HG PRO 606 1HG PRO 606 -0.110 -5.582 7.230 101 2HG PRO 606 2HG PRO 606 -0.621 -7.062 8.063 102 1HD PRO 606 1HD PRO 606 0.300 -7.062 5.516 103 2HD PRO 606 2HD PRO 606 -0.913 -8.220 6.095 104 H VAL 607 H VAL 607 -4.281 -3.781 5.545 105 HA VAL 607 HA VAL 607 -2.268 -1.671 5.183 106 HB VAL 607 HB VAL 607 -4.131 -0.690 3.558 107 1HG1 VAL 607 1HG1 VAL 607 -1.694 -2.239 3.181 108 2HG1 VAL 607 2HG1 VAL 607 -2.766 -2.280 1.781 109 3HG1 VAL 607 3HG1 VAL 607 -2.210 -0.734 2.420 110 1HG2 VAL 607 1HG2 VAL 607 -4.485 -3.671 3.406 111 2HG2 VAL 607 2HG2 VAL 607 -5.720 -2.433 3.635 112 3HG2 VAL 607 3HG2 VAL 607 -4.910 -2.592 2.077 113 H THR 608 H THR 608 -2.934 0.417 5.835 114 HA THR 608 HA THR 608 -5.535 0.634 7.163 115 HB THR 608 HB THR 608 -4.524 1.628 9.178 116 HG1 THR 608 HG1 THR 608 -2.519 2.278 8.675 117 1HG2 THR 608 1HG2 THR 608 -3.750 -1.195 8.470 118 2HG2 THR 608 2HG2 THR 608 -3.504 -0.521 10.081 119 3HG2 THR 608 3HG2 THR 608 -5.132 -0.646 9.416 120 H CYS 609 H CYS 609 -6.404 2.331 6.144 121 HA CYS 609 HA CYS 609 -4.717 4.717 5.756 122 1HB CYS 609 1HB CYS 609 -5.373 3.841 3.622 123 2HB CYS 609 2HB CYS 609 -7.051 3.709 4.132 124 HG CYS 609 HG CYS 609 -6.815 5.812 2.296 125 H GLY 610 H GLY 610 -5.146 5.990 7.459 126 1HA GLY 610 1HA GLY 610 -7.499 7.463 7.632 127 2HA GLY 610 2HA GLY 610 -6.306 7.331 8.916 128 H GLU 611 H GLU 611 -6.424 4.939 9.913 129 HA GLU 611 HA GLU 611 -7.564 3.631 11.386 130 1HB GLU 611 1HB GLU 611 -9.869 5.534 10.960 131 2HB GLU 611 2HB GLU 611 -9.699 4.384 12.278 132 1HG GLU 611 1HG GLU 611 -7.434 6.189 12.064 133 2HG GLU 611 2HG GLU 611 -8.961 7.031 12.320 134 H VAL 612 H VAL 612 -8.248 3.949 8.228 135 HA VAL 612 HA VAL 612 -10.454 2.014 8.199 136 HB VAL 612 HB VAL 612 -9.246 3.622 5.944 137 1HG1 VAL 612 1HG1 VAL 612 -11.670 1.823 5.974 138 2HG1 VAL 612 2HG1 VAL 612 -11.187 2.868 4.637 139 3HG1 VAL 612 3HG1 VAL 612 -10.155 1.523 5.125 140 1HG2 VAL 612 1HG2 VAL 612 -10.642 4.746 7.828 141 2HG2 VAL 612 2HG2 VAL 612 -10.994 5.120 6.141 142 3HG2 VAL 612 3HG2 VAL 612 -12.012 3.981 7.022 143 H LYS 613 H LYS 613 -9.383 0.105 8.701 144 HA LYS 613 HA LYS 613 -6.981 -0.728 7.443 145 1HB LYS 613 1HB LYS 613 -8.483 -1.591 9.592 146 2HB LYS 613 2HB LYS 613 -8.683 -2.890 8.423 147 1HG LYS 613 1HG LYS 613 -5.964 -2.275 8.374 148 2HG LYS 613 2HG LYS 613 -6.424 -2.242 10.076 149 1HD LYS 613 1HD LYS 613 -6.708 -4.466 10.153 150 2HD LYS 613 2HD LYS 613 -7.561 -4.497 8.607 151 1HE LYS 613 1HE LYS 613 -5.097 -3.985 7.716 152 2HE LYS 613 2HE LYS 613 -4.677 -4.835 9.202 153 1HZ LYS 613 1HZ LYS 613 -6.634 -6.371 8.087 154 2HZ LYS 613 2HZ LYS 613 -5.724 -5.870 6.750 155 3HZ LYS 613 3HZ LYS 613 -4.973 -6.684 8.028 156 H GLY 614 H GLY 614 -7.026 -3.047 6.389 157 1HA GLY 614 1HA GLY 614 -8.180 -2.746 3.835 158 2HA GLY 614 2HA GLY 614 -9.153 -3.864 4.778 159 H THR 615 H THR 615 -8.327 -5.134 2.788 160 HA THR 615 HA THR 615 -5.812 -6.480 3.532 161 HB THR 615 HB THR 615 -7.864 -7.985 1.992 162 HG1 THR 615 HG1 THR 615 -9.155 -7.156 3.628 163 1HG2 THR 615 1HG2 THR 615 -5.497 -8.727 2.820 164 2HG2 THR 615 2HG2 THR 615 -6.325 -8.973 4.357 165 3HG2 THR 615 3HG2 THR 615 -6.855 -9.846 2.919 166 H LEU 616 H LEU 616 -4.272 -6.506 2.034 167 HA LEU 616 HA LEU 616 -4.913 -5.565 -0.656 168 1HB LEU 616 1HB LEU 616 -3.102 -4.451 0.561 169 2HB LEU 616 2HB LEU 616 -2.247 -5.976 0.699 170 HG LEU 616 HG LEU 616 -2.910 -5.180 -2.057 171 1HD1 LEU 616 1HD1 LEU 616 -2.352 -3.009 -0.940 172 2HD1 LEU 616 2HD1 LEU 616 -0.763 -3.680 -0.575 173 3HD1 LEU 616 3HD1 LEU 616 -1.268 -3.472 -2.252 174 1HD2 LEU 616 1HD2 LEU 616 -1.062 -6.831 -0.655 175 2HD2 LEU 616 2HD2 LEU 616 -1.349 -6.717 -2.391 176 3HD2 LEU 616 3HD2 LEU 616 -0.161 -5.665 -1.623 177 H TYR 617 H TYR 617 -4.935 -6.845 -2.384 178 HA TYR 617 HA TYR 617 -4.207 -9.654 -2.049 179 1HB TYR 617 1HB TYR 617 -5.966 -8.147 -3.949 180 2HB TYR 617 2HB TYR 617 -5.333 -9.721 -4.425 181 HD1 TYR 617 HD1 TYR 617 -7.036 -8.116 -1.506 182 HD2 TYR 617 HD2 TYR 617 -6.621 -11.577 -3.945 183 HE1 TYR 617 HE1 TYR 617 -8.843 -9.211 -0.248 184 HE2 TYR 617 HE2 TYR 617 -8.428 -12.682 -2.695 185 HH TYR 617 HH TYR 617 -9.472 -12.507 -0.426 186 H LYS 618 H LYS 618 -2.453 -10.528 -2.936 187 HA LYS 618 HA LYS 618 -0.490 -8.940 -4.205 188 1HB LYS 618 1HB LYS 618 -0.716 -11.945 -3.988 189 2HB LYS 618 2HB LYS 618 0.718 -11.083 -4.526 190 1HG LYS 618 1HG LYS 618 -0.523 -10.599 -1.837 191 2HG LYS 618 2HG LYS 618 0.675 -11.864 -2.117 192 1HD LYS 618 1HD LYS 618 2.377 -10.388 -2.347 193 2HD LYS 618 2HD LYS 618 1.360 -9.176 -3.128 194 1HE LYS 618 1HE LYS 618 0.323 -9.228 -0.609 195 2HE LYS 618 2HE LYS 618 2.028 -9.544 -0.296 196 1HZ LYS 618 1HZ LYS 618 1.136 -7.302 -2.009 197 2HZ LYS 618 2HZ LYS 618 1.304 -7.139 -0.334 198 3HZ LYS 618 3HZ LYS 618 2.648 -7.528 -1.284 199 H GLU 619 H GLU 619 -2.984 -11.067 -5.443 200 HA GLU 619 HA GLU 619 -2.067 -11.534 -8.013 201 1HB GLU 619 1HB GLU 619 -4.393 -11.872 -8.645 202 2HB GLU 619 2HB GLU 619 -4.077 -12.581 -7.068 203 1HG GLU 619 1HG GLU 619 -5.091 -10.621 -5.999 204 2HG GLU 619 2HG GLU 619 -5.438 -9.948 -7.592 205 H ARG 620 H ARG 620 -3.058 -8.579 -6.611 206 HA ARG 620 HA ARG 620 -3.054 -7.300 -9.264 207 1HB ARG 620 1HB ARG 620 -4.873 -6.982 -6.962 208 2HB ARG 620 2HB ARG 620 -4.353 -5.483 -7.719 209 1HG ARG 620 1HG ARG 620 -5.473 -5.904 -9.652 210 2HG ARG 620 2HG ARG 620 -5.311 -7.655 -9.495 211 1HD ARG 620 1HD ARG 620 -7.089 -7.801 -7.988 212 2HD ARG 620 2HD ARG 620 -7.034 -6.079 -7.614 213 HE ARG 620 HE ARG 620 -8.039 -5.645 -9.753 214 1HH1 ARG 620 1HH1 ARG 620 -7.987 -8.989 -8.779 215 2HH1 ARG 620 2HH1 ARG 620 -9.270 -9.454 -9.846 216 1HH2 ARG 620 1HH2 ARG 620 -9.730 -6.247 -11.160 217 2HH2 ARG 620 2HH2 ARG 620 -10.259 -7.896 -11.200 218 H PHE 621 H PHE 621 -1.753 -7.422 -6.097 219 HA PHE 621 HA PHE 621 -0.726 -4.890 -5.694 220 1HB PHE 621 1HB PHE 621 -0.624 -6.632 -4.002 221 2HB PHE 621 2HB PHE 621 0.496 -7.563 -4.988 222 HD1 PHE 621 HD1 PHE 621 0.215 -4.122 -3.564 223 HD2 PHE 621 HD2 PHE 621 2.708 -7.466 -4.409 224 HE1 PHE 621 HE1 PHE 621 2.107 -2.979 -2.485 225 HE2 PHE 621 HE2 PHE 621 4.604 -6.330 -3.331 226 HZ PHE 621 HZ PHE 621 4.302 -4.092 -2.352 227 H LYS 622 H LYS 622 0.308 -7.299 -7.976 228 HA LYS 622 HA LYS 622 2.953 -6.490 -8.399 229 1HB LYS 622 1HB LYS 622 2.603 -7.458 -10.722 230 2HB LYS 622 2HB LYS 622 2.280 -8.535 -9.370 231 1HG LYS 622 1HG LYS 622 -0.002 -8.500 -9.714 232 2HG LYS 622 2HG LYS 622 0.050 -6.969 -10.590 233 1HD LYS 622 1HD LYS 622 0.415 -7.981 -12.558 234 2HD LYS 622 2HD LYS 622 1.583 -9.107 -11.864 235 1HE LYS 622 1HE LYS 622 0.003 -10.652 -12.254 236 2HE LYS 622 2HE LYS 622 -0.740 -10.015 -10.787 237 1HZ LYS 622 1HZ LYS 622 -1.702 -8.342 -12.637 238 2HZ LYS 622 2HZ LYS 622 -1.583 -9.764 -13.544 239 3HZ LYS 622 3HZ LYS 622 -2.503 -9.740 -12.123 240 H GLN 623 H GLN 623 0.056 -4.861 -9.073 241 HA GLN 623 HA GLN 623 1.430 -3.031 -10.917 242 1HB GLN 623 1HB GLN 623 -1.547 -3.114 -10.666 243 2HB GLN 623 2HB GLN 623 -0.554 -2.651 -12.044 244 1HG GLN 623 1HG GLN 623 -0.231 -4.811 -12.717 245 2HG GLN 623 2HG GLN 623 -0.455 -5.464 -11.098 246 2HE2 GLN 623 2HE2 GLN 623 -2.495 -5.894 -10.352 247 1HE2 GLN 623 1HE2 GLN 623 -3.879 -5.917 -11.380 248 H GLY 624 H GLY 624 0.093 -3.385 -7.831 249 1HA GLY 624 1HA GLY 624 0.816 -0.795 -6.990 250 2HA GLY 624 2HA GLY 624 -0.157 -1.935 -6.075 251 H THR 625 H THR 625 -0.137 1.059 -7.402 252 HA THR 625 HA THR 625 -2.890 1.500 -6.864 253 HB THR 625 HB THR 625 -1.123 3.213 -6.521 254 HG1 THR 625 HG1 THR 625 -2.534 4.818 -6.947 255 1HG2 THR 625 1HG2 THR 625 -0.291 2.608 -9.032 256 2HG2 THR 625 2HG2 THR 625 -1.219 4.076 -9.335 257 3HG2 THR 625 3HG2 THR 625 0.119 4.100 -8.187 258 H SER 626 H SER 626 -1.617 0.005 -9.474 259 HA SER 626 HA SER 626 -3.251 1.319 -11.485 260 1HB SER 626 1HB SER 626 -1.438 -1.098 -11.655 261 2HB SER 626 2HB SER 626 -2.290 -0.386 -13.025 262 HG SER 626 HG SER 626 -0.167 0.662 -11.508 263 H LYS 627 H LYS 627 -3.933 -0.721 -9.074 264 HA LYS 627 HA LYS 627 -6.352 -1.648 -10.321 265 1HB LYS 627 1HB LYS 627 -4.085 -3.481 -9.731 266 2HB LYS 627 2HB LYS 627 -5.706 -4.049 -9.354 267 1HG LYS 627 1HG LYS 627 -5.170 -2.872 -12.031 268 2HG LYS 627 2HG LYS 627 -4.634 -4.518 -11.687 269 1HD LYS 627 1HD LYS 627 -6.723 -5.329 -11.748 270 2HD LYS 627 2HD LYS 627 -7.374 -3.972 -10.829 271 1HE LYS 627 1HE LYS 627 -7.085 -2.627 -12.996 272 2HE LYS 627 2HE LYS 627 -6.913 -4.193 -13.787 273 1HZ LYS 627 1HZ LYS 627 -9.086 -4.817 -12.869 274 2HZ LYS 627 2HZ LYS 627 -9.253 -3.267 -12.212 275 3HZ LYS 627 3HZ LYS 627 -9.189 -3.472 -13.889 276 H LYS 628 H LYS 628 -7.796 -2.715 -8.759 277 HA LYS 628 HA LYS 628 -7.423 -1.558 -6.101 278 1HB LYS 628 1HB LYS 628 -9.873 -2.280 -5.850 279 2HB LYS 628 2HB LYS 628 -9.521 -0.961 -6.956 280 1HG LYS 628 1HG LYS 628 -9.362 -3.277 -8.504 281 2HG LYS 628 2HG LYS 628 -10.774 -3.495 -7.469 282 1HD LYS 628 1HD LYS 628 -11.273 -1.013 -8.190 283 2HD LYS 628 2HD LYS 628 -10.245 -1.437 -9.559 284 1HE LYS 628 1HE LYS 628 -12.988 -2.170 -9.011 285 2HE LYS 628 2HE LYS 628 -12.069 -2.296 -10.508 286 1HZ LYS 628 1HZ LYS 628 -11.111 -4.376 -9.662 287 2HZ LYS 628 2HZ LYS 628 -12.081 -4.261 -8.280 288 3HZ LYS 628 3HZ LYS 628 -12.795 -4.463 -9.799 289 H CYS 629 H CYS 629 -6.196 -2.911 -4.898 290 HA CYS 629 HA CYS 629 -7.032 -5.732 -4.755 291 1HB CYS 629 1HB CYS 629 -4.646 -5.940 -3.689 292 2HB CYS 629 2HB CYS 629 -4.826 -5.856 -5.437 293 HG CYS 629 HG CYS 629 -4.561 -2.802 -4.753 294 H ILE 630 H ILE 630 -7.489 -2.959 -3.163 295 HA ILE 630 HA ILE 630 -7.071 -4.047 -0.480 296 HB ILE 630 HB ILE 630 -7.793 -1.286 -1.449 297 1HG1 ILE 630 1HG1 ILE 630 -5.523 -1.962 0.375 298 2HG1 ILE 630 2HG1 ILE 630 -5.376 -2.344 -1.338 299 1HG2 ILE 630 1HG2 ILE 630 -8.496 -2.488 1.044 300 2HG2 ILE 630 2HG2 ILE 630 -7.287 -1.235 1.325 301 3HG2 ILE 630 3HG2 ILE 630 -8.788 -0.841 0.486 302 1HD1 ILE 630 1HD1 ILE 630 -6.260 0.232 -1.407 303 2HD1 ILE 630 2HD1 ILE 630 -5.243 0.224 0.034 304 3HD1 ILE 630 3HD1 ILE 630 -4.574 -0.274 -1.520 305 H GLN 631 H GLN 631 -8.652 -5.419 0.051 306 HA GLN 631 HA GLN 631 -11.421 -4.805 -0.627 307 1HB GLN 631 1HB GLN 631 -10.708 -7.078 -1.056 308 2HB GLN 631 2HB GLN 631 -10.132 -7.252 0.596 309 1HG GLN 631 1HG GLN 631 -12.629 -6.703 1.184 310 2HG GLN 631 2HG GLN 631 -12.911 -7.275 -0.459 311 2HE2 GLN 631 2HE2 GLN 631 -13.303 -9.351 -0.654 312 1HE2 GLN 631 1HE2 GLN 631 -12.818 -10.591 0.445 313 H SER 632 H SER 632 -12.612 -3.683 0.744 314 HA SER 632 HA SER 632 -12.226 -4.090 3.625 315 1HB SER 632 1HB SER 632 -13.007 -1.357 2.816 316 2HB SER 632 2HB SER 632 -11.907 -1.888 4.087 317 HG SER 632 HG SER 632 -10.273 -1.875 2.708 318 H GLU 633 H GLU 633 -14.101 -3.063 4.858 319 HA GLU 633 HA GLU 633 -16.315 -2.862 5.330 320 1HB GLU 633 1HB GLU 633 -16.254 -2.378 2.461 321 2HB GLU 633 2HB GLU 633 -17.751 -3.148 2.972 322 1HG GLU 633 1HG GLU 633 -16.821 -0.873 4.604 323 2HG GLU 633 2HG GLU 633 -17.375 -0.502 2.970 324 H ASP 634 H ASP 634 -15.914 -5.193 2.638 325 HA ASP 634 HA ASP 634 -16.353 -7.474 4.172 326 1HB ASP 634 1HB ASP 634 -18.625 -8.061 3.802 327 2HB ASP 634 2HB ASP 634 -18.646 -6.400 4.385 328 H LYS 635 H LYS 635 -16.451 -5.854 1.107 329 HA LYS 635 HA LYS 635 -15.020 -7.863 -0.233 330 1HB LYS 635 1HB LYS 635 -17.359 -8.920 0.029 331 2HB LYS 635 2HB LYS 635 -17.869 -7.765 -1.193 332 1HG LYS 635 1HG LYS 635 -17.391 -9.812 -2.293 333 2HG LYS 635 2HG LYS 635 -16.095 -8.683 -2.693 334 1HD LYS 635 1HD LYS 635 -15.086 -10.789 -2.207 335 2HD LYS 635 2HD LYS 635 -14.750 -9.716 -0.847 336 1HE LYS 635 1HE LYS 635 -15.996 -10.929 0.587 337 2HE LYS 635 2HE LYS 635 -17.216 -11.307 -0.627 338 1HZ LYS 635 1HZ LYS 635 -14.825 -12.610 -1.308 339 2HZ LYS 635 2HZ LYS 635 -15.165 -12.946 0.316 340 3HZ LYS 635 3HZ LYS 635 -16.310 -13.296 -0.880 341 H LYS 636 H LYS 636 -15.615 -4.849 0.103 342 HA LYS 636 HA LYS 636 -15.881 -4.104 -2.711 343 1HB LYS 636 1HB LYS 636 -16.609 -2.877 -0.217 344 2HB LYS 636 2HB LYS 636 -15.541 -1.801 -1.108 345 1HG LYS 636 1HG LYS 636 -18.060 -3.027 -2.209 346 2HG LYS 636 2HG LYS 636 -17.922 -1.391 -1.565 347 1HD LYS 636 1HD LYS 636 -17.194 -0.656 -3.532 348 2HD LYS 636 2HD LYS 636 -15.854 -1.802 -3.486 349 1HE LYS 636 1HE LYS 636 -17.323 -3.532 -4.426 350 2HE LYS 636 2HE LYS 636 -18.637 -2.360 -4.503 351 1HZ LYS 636 1HZ LYS 636 -16.910 -1.014 -5.880 352 2HZ LYS 636 2HZ LYS 636 -16.202 -2.529 -6.134 353 3HZ LYS 636 3HZ LYS 636 -17.799 -2.251 -6.615 354 H TRP 637 H TRP 637 -14.078 -3.991 -3.861 355 HA TRP 637 HA TRP 637 -11.535 -3.502 -2.523 356 1HB TRP 637 1HB TRP 637 -12.040 -4.187 -5.427 357 2HB TRP 637 2HB TRP 637 -10.489 -4.217 -4.595 358 HD1 TRP 637 HD1 TRP 637 -13.015 -5.706 -2.355 359 HE1 TRP 637 HE1 TRP 637 -12.909 -8.273 -2.442 360 HE3 TRP 637 HE3 TRP 637 -10.086 -6.259 -6.509 361 HZ2 TRP 637 HZ2 TRP 637 -11.735 -10.272 -4.053 362 HZ3 TRP 637 HZ3 TRP 637 -9.516 -8.532 -7.255 363 HH2 TRP 637 HH2 TRP 637 -10.324 -10.497 -6.051 364 H PHE 638 H PHE 638 -10.302 -1.726 -2.781 365 HA PHE 638 HA PHE 638 -11.229 0.357 -4.646 366 1HB PHE 638 1HB PHE 638 -10.349 0.706 -1.772 367 2HB PHE 638 2HB PHE 638 -10.544 2.037 -2.905 368 HD1 PHE 638 HD1 PHE 638 -12.617 3.048 -3.201 369 HD2 PHE 638 HD2 PHE 638 -12.385 -0.731 -1.260 370 HE1 PHE 638 HE1 PHE 638 -14.989 3.228 -2.575 371 HE2 PHE 638 HE2 PHE 638 -14.758 -0.561 -0.635 372 HZ PHE 638 HZ PHE 638 -16.065 1.421 -1.293 373 H THR 639 H THR 639 -9.558 1.962 -5.174 374 HA THR 639 HA THR 639 -6.927 0.693 -5.404 375 HB THR 639 HB THR 639 -6.943 3.224 -6.693 376 HG1 THR 639 HG1 THR 639 -8.764 2.758 -8.158 377 1HG2 THR 639 1HG2 THR 639 -5.879 0.907 -7.265 378 2HG2 THR 639 2HG2 THR 639 -7.371 0.658 -8.171 379 3HG2 THR 639 3HG2 THR 639 -6.316 2.015 -8.566 380 HA PRO 640 HA PRO 640 -4.815 3.072 -2.330 381 1HB PRO 640 1HB PRO 640 -3.181 4.212 -4.563 382 2HB PRO 640 2HB PRO 640 -2.654 3.536 -3.016 383 1HG PRO 640 1HG PRO 640 -2.447 2.099 -5.235 384 2HG PRO 640 2HG PRO 640 -2.962 1.341 -3.718 385 1HD PRO 640 1HD PRO 640 -4.574 2.066 -6.117 386 2HD PRO 640 2HD PRO 640 -4.782 0.719 -4.979 387 H ARG 641 H ARG 641 -6.184 4.604 -5.118 388 HA ARG 641 HA ARG 641 -5.969 7.275 -3.980 389 1HB ARG 641 1HB ARG 641 -5.668 7.341 -6.294 390 2HB ARG 641 2HB ARG 641 -6.937 6.160 -6.592 391 1HG ARG 641 1HG ARG 641 -7.697 8.290 -7.347 392 2HG ARG 641 2HG ARG 641 -8.605 7.866 -5.894 393 1HD ARG 641 1HD ARG 641 -7.453 9.414 -4.581 394 2HD ARG 641 2HD ARG 641 -6.123 9.539 -5.731 395 HE ARG 641 HE ARG 641 -8.706 10.473 -6.665 396 1HH1 ARG 641 1HH1 ARG 641 -5.627 11.275 -5.251 397 2HH1 ARG 641 2HH1 ARG 641 -5.715 12.949 -5.686 398 1HH2 ARG 641 1HH2 ARG 641 -8.836 12.677 -7.240 399 2HH2 ARG 641 2HH2 ARG 641 -7.541 13.747 -6.816 400 H GLU 642 H GLU 642 -8.530 4.967 -4.887 401 HA GLU 642 HA GLU 642 -10.656 6.566 -3.882 402 1HB GLU 642 1HB GLU 642 -10.371 3.736 -4.797 403 2HB GLU 642 2HB GLU 642 -11.808 4.186 -3.891 404 1HG GLU 642 1HG GLU 642 -11.971 6.121 -5.613 405 2HG GLU 642 2HG GLU 642 -10.904 5.104 -6.580 406 H PHE 643 H PHE 643 -8.430 4.356 -2.469 407 HA PHE 643 HA PHE 643 -9.938 3.864 -0.071 408 1HB PHE 643 1HB PHE 643 -8.082 2.393 -1.154 409 2HB PHE 643 2HB PHE 643 -6.965 3.482 -0.339 410 HD1 PHE 643 HD1 PHE 643 -6.018 2.333 1.424 411 HD2 PHE 643 HD2 PHE 643 -10.205 2.000 0.738 412 HE1 PHE 643 HE1 PHE 643 -6.248 1.013 3.487 413 HE2 PHE 643 HE2 PHE 643 -10.442 0.679 2.799 414 HZ PHE 643 HZ PHE 643 -8.428 0.169 4.171 415 H GLU 644 H GLU 644 -7.365 5.994 -1.137 416 HA GLU 644 HA GLU 644 -6.724 7.126 1.365 417 1HB GLU 644 1HB GLU 644 -5.093 7.686 -0.123 418 2HB GLU 644 2HB GLU 644 -6.203 7.728 -1.482 419 1HG GLU 644 1HG GLU 644 -6.990 9.928 -0.123 420 2HG GLU 644 2HG GLU 644 -5.274 9.887 0.273 421 H ILE 645 H ILE 645 -9.209 7.742 -1.000 422 HA ILE 645 HA ILE 645 -10.083 10.239 0.061 423 HB ILE 645 HB ILE 645 -11.239 8.264 -1.873 424 1HG1 ILE 645 1HG1 ILE 645 -10.742 11.221 -2.189 425 2HG1 ILE 645 2HG1 ILE 645 -9.483 10.019 -2.455 426 1HG2 ILE 645 1HG2 ILE 645 -13.126 9.039 -0.503 427 2HG2 ILE 645 2HG2 ILE 645 -12.691 10.708 -0.869 428 3HG2 ILE 645 3HG2 ILE 645 -13.220 9.631 -2.161 429 1HD1 ILE 645 1HD1 ILE 645 -12.019 9.578 -3.887 430 2HD1 ILE 645 2HD1 ILE 645 -11.060 10.969 -4.393 431 3HD1 ILE 645 3HD1 ILE 645 -10.353 9.352 -4.420 432 H GLU 646 H GLU 646 -11.079 6.872 0.514 433 HA GLU 646 HA GLU 646 -13.293 7.520 2.202 434 1HB GLU 646 1HB GLU 646 -12.571 5.298 0.819 435 2HB GLU 646 2HB GLU 646 -12.092 4.835 2.446 436 1HG GLU 646 1HG GLU 646 -14.238 4.062 2.392 437 2HG GLU 646 2HG GLU 646 -14.486 5.668 3.073 438 H GLY 647 H GLY 647 -9.898 6.954 2.702 439 1HA GLY 647 1HA GLY 647 -8.747 6.490 4.708 440 2HA GLY 647 2HA GLY 647 -10.249 6.689 5.595 441 H ASP 648 H ASP 648 -7.978 8.591 3.617 442 HA ASP 648 HA ASP 648 -7.902 10.612 5.707 443 1HB ASP 648 1HB ASP 648 -6.074 9.645 3.735 444 2HB ASP 648 2HB ASP 648 -6.295 11.376 3.495 445 H ARG 649 H ARG 649 -10.253 10.258 3.868 446 HA ARG 649 HA ARG 649 -11.793 11.562 2.826 447 1HB ARG 649 1HB ARG 649 -10.930 13.055 4.858 448 2HB ARG 649 2HB ARG 649 -10.383 14.081 3.538 449 1HG ARG 649 1HG ARG 649 -12.468 14.939 3.944 450 2HG ARG 649 2HG ARG 649 -12.822 13.773 2.667 451 1HD ARG 649 1HD ARG 649 -14.289 12.794 4.017 452 2HD ARG 649 2HD ARG 649 -12.963 12.363 5.096 453 HE ARG 649 HE ARG 649 -13.557 14.935 5.765 454 1HH1 ARG 649 1HH1 ARG 649 -15.401 11.986 5.527 455 2HH1 ARG 649 2HH1 ARG 649 -16.518 12.433 6.773 456 1HH2 ARG 649 1HH2 ARG 649 -15.023 15.528 7.409 457 2HH2 ARG 649 2HH2 ARG 649 -16.303 14.445 7.842 458 H GLY 650 H GLY 650 -8.795 11.218 1.718 459 1HA GLY 650 1HA GLY 650 -9.467 12.353 -0.852 460 2HA GLY 650 2HA GLY 650 -8.047 11.392 -0.474 461 H ALA 651 H ALA 651 -8.797 14.158 1.478 462 HA ALA 651 HA ALA 651 -7.467 16.158 0.042 463 1HB ALA 651 1HB ALA 651 -8.219 17.400 1.716 464 2HB ALA 651 2HB ALA 651 -8.749 15.931 2.535 465 3HB ALA 651 3HB ALA 651 -7.142 16.586 2.850 466 H SER 652 H SER 652 -6.211 13.430 1.608 467 HA SER 652 HA SER 652 -3.719 14.404 2.499 468 1HB SER 652 1HB SER 652 -5.032 11.984 2.598 469 2HB SER 652 2HB SER 652 -3.688 11.647 1.506 470 HG SER 652 HG SER 652 -3.400 12.888 4.039 471 H LYS 653 H LYS 653 -4.955 13.917 -0.627 472 HA LYS 653 HA LYS 653 -4.087 14.136 -2.710 473 1HB LYS 653 1HB LYS 653 -3.043 16.159 -1.628 474 2HB LYS 653 2HB LYS 653 -1.595 15.197 -1.373 475 1HG LYS 653 1HG LYS 653 -1.205 16.443 -3.324 476 2HG LYS 653 2HG LYS 653 -1.575 14.807 -3.873 477 1HD LYS 653 1HD LYS 653 -3.443 15.462 -4.932 478 2HD LYS 653 2HD LYS 653 -3.924 16.533 -3.615 479 1HE LYS 653 1HE LYS 653 -3.486 17.761 -5.698 480 2HE LYS 653 2HE LYS 653 -2.390 18.237 -4.401 481 1HZ LYS 653 1HZ LYS 653 -0.940 16.349 -5.528 482 2HZ LYS 653 2HZ LYS 653 -1.824 16.824 -6.888 483 3HZ LYS 653 3HZ LYS 653 -0.888 17.957 -6.049 484 H ASN 654 H ASN 654 -0.941 13.559 -1.183 485 HA ASN 654 HA ASN 654 -0.244 11.531 -3.015 486 1HB ASN 654 1HB ASN 654 1.026 12.972 -0.917 487 2HB ASN 654 2HB ASN 654 1.282 11.256 -0.613 488 2HD2 ASN 654 2HD2 ASN 654 3.517 11.679 -1.020 489 1HD2 ASN 654 1HD2 ASN 654 4.101 11.768 -2.642 490 H TRP 655 H TRP 655 -1.011 9.537 -3.113 491 HA TRP 655 HA TRP 655 -2.437 8.372 -0.905 492 1HB TRP 655 1HB TRP 655 -2.692 6.423 -2.493 493 2HB TRP 655 2HB TRP 655 -3.339 7.954 -3.067 494 HD1 TRP 655 HD1 TRP 655 -2.366 8.928 -5.280 495 HE1 TRP 655 HE1 TRP 655 -0.636 8.097 -6.995 496 HE3 TRP 655 HE3 TRP 655 -0.406 5.017 -2.631 497 HZ2 TRP 655 HZ2 TRP 655 1.302 6.056 -7.198 498 HZ3 TRP 655 HZ3 TRP 655 1.383 3.676 -3.658 499 HH2 TRP 655 HH2 TRP 655 2.217 4.185 -5.894 500 H LYS 656 H LYS 656 0.787 8.246 -2.116 501 HA LYS 656 HA LYS 656 1.538 5.691 -1.199 502 1HB LYS 656 1HB LYS 656 3.360 8.090 -1.319 503 2HB LYS 656 2HB LYS 656 3.797 6.396 -1.487 504 1HG LYS 656 1HG LYS 656 2.976 6.261 -3.644 505 2HG LYS 656 2HG LYS 656 1.928 7.667 -3.439 506 1HD LYS 656 1HD LYS 656 3.759 9.164 -3.553 507 2HD LYS 656 2HD LYS 656 4.931 7.855 -3.382 508 1HE LYS 656 1HE LYS 656 3.800 6.982 -5.585 509 2HE LYS 656 2HE LYS 656 3.320 8.670 -5.756 510 1HZ LYS 656 1HZ LYS 656 5.860 9.025 -5.226 511 2HZ LYS 656 2HZ LYS 656 5.983 7.472 -5.885 512 3HZ LYS 656 3HZ LYS 656 5.318 8.730 -6.800 513 H LEU 657 H LEU 657 0.918 8.633 0.459 514 HA LEU 657 HA LEU 657 2.076 7.512 2.924 515 1HB LEU 657 1HB LEU 657 1.693 10.352 2.022 516 2HB LEU 657 2HB LEU 657 1.902 9.956 3.717 517 HG LEU 657 HG LEU 657 3.907 9.082 1.656 518 1HD1 LEU 657 1HD1 LEU 657 3.304 11.766 2.364 519 2HD1 LEU 657 2HD1 LEU 657 4.857 11.337 3.081 520 3HD1 LEU 657 3HD1 LEU 657 4.609 11.159 1.345 521 1HD2 LEU 657 1HD2 LEU 657 3.955 8.033 3.883 522 2HD2 LEU 657 2HD2 LEU 657 5.397 8.994 3.562 523 3HD2 LEU 657 3HD2 LEU 657 4.131 9.628 4.614 524 H SER 658 H SER 658 -0.767 8.712 1.371 525 HA SER 658 HA SER 658 -2.377 9.266 3.590 526 1HB SER 658 1HB SER 658 -2.909 9.816 1.195 527 2HB SER 658 2HB SER 658 -3.321 8.117 0.956 528 HG SER 658 HG SER 658 -4.506 9.617 3.024 529 H ILE 659 H ILE 659 -1.421 6.240 2.158 530 HA ILE 659 HA ILE 659 -3.128 4.823 4.102 531 HB ILE 659 HB ILE 659 -2.172 3.687 1.476 532 1HG1 ILE 659 1HG1 ILE 659 -4.978 4.614 2.068 533 2HG1 ILE 659 2HG1 ILE 659 -3.789 5.670 1.312 534 1HG2 ILE 659 1HG2 ILE 659 -3.205 2.478 3.765 535 2HG2 ILE 659 2HG2 ILE 659 -4.544 2.518 2.618 536 3HG2 ILE 659 3HG2 ILE 659 -3.020 1.755 2.167 537 1HD1 ILE 659 1HD1 ILE 659 -4.463 2.981 0.177 538 2HD1 ILE 659 2HD1 ILE 659 -5.395 4.428 -0.211 539 3HD1 ILE 659 3HD1 ILE 659 -3.679 4.349 -0.612 540 H ARG 660 H ARG 660 -2.236 3.158 5.271 541 HA ARG 660 HA ARG 660 0.694 2.960 5.170 542 1HB ARG 660 1HB ARG 660 -0.916 1.916 7.467 543 2HB ARG 660 2HB ARG 660 0.721 2.552 7.453 544 1HG ARG 660 1HG ARG 660 -0.368 4.814 6.931 545 2HG ARG 660 2HG ARG 660 -1.874 4.051 7.451 546 1HD ARG 660 1HD ARG 660 -0.981 3.608 9.621 547 2HD ARG 660 2HD ARG 660 0.636 4.097 9.119 548 HE ARG 660 HE ARG 660 -0.731 6.346 8.712 549 1HH1 ARG 660 1HH1 ARG 660 -0.729 4.152 11.421 550 2HH1 ARG 660 2HH1 ARG 660 -1.088 5.384 12.583 551 1HH2 ARG 660 1HH2 ARG 660 -1.207 7.973 10.236 552 2HH2 ARG 660 2HH2 ARG 660 -1.361 7.555 11.910 553 H CYS 661 H CYS 661 1.597 0.787 5.769 554 HA CYS 661 HA CYS 661 -0.136 -1.428 4.918 555 1HB CYS 661 1HB CYS 661 1.766 -0.331 3.256 556 2HB CYS 661 2HB CYS 661 2.632 -1.675 3.993 557 HG CYS 661 HG CYS 661 0.534 -1.737 1.511 558 H GLY 662 H GLY 662 -0.268 -2.377 6.908 559 1HA GLY 662 1HA GLY 662 1.810 -4.058 7.763 560 2HA GLY 662 2HA GLY 662 0.379 -3.657 8.700 561 H GLY 663 H GLY 663 1.733 -0.774 8.017 562 1HA GLY 663 1HA GLY 663 3.825 -0.791 10.023 563 2HA GLY 663 2HA GLY 663 2.371 0.089 10.472 564 H TYR 664 H TYR 664 4.437 -0.211 7.573 565 HA TYR 664 HA TYR 664 4.724 2.706 7.566 566 1HB TYR 664 1HB TYR 664 6.277 0.583 6.072 567 2HB TYR 664 2HB TYR 664 6.601 2.312 6.009 568 HD1 TYR 664 HD1 TYR 664 7.228 -0.752 7.752 569 HD2 TYR 664 HD2 TYR 664 7.256 3.482 8.177 570 HE1 TYR 664 HE1 TYR 664 8.707 -0.964 9.705 571 HE2 TYR 664 HE2 TYR 664 8.737 3.281 10.130 572 HH TYR 664 HH TYR 664 9.232 0.461 11.782 573 H THR 665 H THR 665 4.096 3.960 5.864 574 HA THR 665 HA THR 665 1.978 3.063 4.236 575 HB THR 665 HB THR 665 2.050 5.235 3.178 576 HG1 THR 665 HG1 THR 665 4.282 5.466 2.862 577 1HG2 THR 665 1HG2 THR 665 2.338 4.987 6.105 578 2HG2 THR 665 2HG2 THR 665 2.508 6.616 5.451 579 3HG2 THR 665 3HG2 THR 665 1.035 5.694 5.150 580 H LEU 666 H LEU 666 1.973 3.341 1.797 581 HA LEU 666 HA LEU 666 3.745 1.520 0.623 582 1HB LEU 666 1HB LEU 666 2.034 3.650 -0.664 583 2HB LEU 666 2HB LEU 666 2.901 2.421 -1.563 584 HG LEU 666 HG LEU 666 0.701 1.623 -1.449 585 1HD1 LEU 666 1HD1 LEU 666 2.730 0.219 -0.179 586 2HD1 LEU 666 2HD1 LEU 666 1.356 0.092 0.921 587 3HD1 LEU 666 3HD1 LEU 666 1.197 -0.433 -0.757 588 1HD2 LEU 666 1HD2 LEU 666 0.775 2.661 1.356 589 2HD2 LEU 666 2HD2 LEU 666 -0.378 3.006 0.066 590 3HD2 LEU 666 3HD2 LEU 666 -0.407 1.441 0.880 591 H LYS 667 H LYS 667 3.962 4.942 1.126 592 HA LYS 667 HA LYS 667 5.968 5.543 -0.758 593 1HB LYS 667 1HB LYS 667 4.480 7.058 0.881 594 2HB LYS 667 2HB LYS 667 5.956 6.992 1.836 595 1HG LYS 667 1HG LYS 667 6.831 7.557 -0.731 596 2HG LYS 667 2HG LYS 667 5.363 8.511 -0.542 597 1HD LYS 667 1HD LYS 667 6.937 9.958 0.302 598 2HD LYS 667 2HD LYS 667 6.418 9.129 1.772 599 1HE LYS 667 1HE LYS 667 8.718 9.043 1.957 600 2HE LYS 667 2HE LYS 667 8.350 7.487 1.213 601 1HZ LYS 667 1HZ LYS 667 8.678 9.133 -0.914 602 2HZ LYS 667 2HZ LYS 667 9.846 9.705 0.169 603 3HZ LYS 667 3HZ LYS 667 9.852 8.082 -0.303 604 H VAL 668 H VAL 668 6.026 4.359 2.546 605 HA VAL 668 HA VAL 668 8.891 4.447 2.747 606 HB VAL 668 HB VAL 668 7.114 2.806 4.532 607 1HG1 VAL 668 1HG1 VAL 668 9.851 3.890 4.608 608 2HG1 VAL 668 2HG1 VAL 668 8.944 3.990 6.117 609 3HG1 VAL 668 3HG1 VAL 668 9.185 2.428 5.335 610 1HG2 VAL 668 1HG2 VAL 668 7.478 5.794 4.545 611 2HG2 VAL 668 2HG2 VAL 668 5.971 4.879 4.485 612 3HG2 VAL 668 3HG2 VAL 668 6.941 4.884 5.957 613 H LEU 669 H LEU 669 6.423 2.026 2.067 614 HA LEU 669 HA LEU 669 8.161 -0.213 2.071 615 1HB LEU 669 1HB LEU 669 5.388 0.359 1.275 616 2HB LEU 669 2HB LEU 669 6.159 -0.927 0.366 617 HG LEU 669 HG LEU 669 6.683 -2.077 2.506 618 1HD1 LEU 669 1HD1 LEU 669 6.238 0.330 3.678 619 2HD1 LEU 669 2HD1 LEU 669 4.721 -0.504 4.012 620 3HD1 LEU 669 3HD1 LEU 669 6.250 -1.214 4.529 621 1HD2 LEU 669 1HD2 LEU 669 4.664 -2.592 1.156 622 2HD2 LEU 669 2HD2 LEU 669 4.462 -2.911 2.879 623 3HD2 LEU 669 3HD2 LEU 669 3.752 -1.465 2.160 624 H MET 670 H MET 670 7.322 2.214 -0.281 625 HA MET 670 HA MET 670 8.538 0.780 -2.479 626 1HB MET 670 1HB MET 670 7.972 2.652 -3.844 627 2HB MET 670 2HB MET 670 6.612 2.381 -2.766 628 1HG MET 670 1HG MET 670 6.743 4.444 -1.992 629 2HG MET 670 2HG MET 670 8.441 4.229 -1.569 630 1HE MET 670 1HE MET 670 6.068 4.495 -4.457 631 2HE MET 670 2HE MET 670 6.675 5.816 -5.456 632 3HE MET 670 3HE MET 670 7.342 4.192 -5.641 633 H GLU 671 H GLU 671 9.596 2.566 0.123 634 HA GLU 671 HA GLU 671 12.004 3.554 -1.202 635 1HB GLU 671 1HB GLU 671 10.834 5.065 0.349 636 2HB GLU 671 2HB GLU 671 11.055 3.901 1.648 637 1HG GLU 671 1HG GLU 671 13.609 4.232 0.818 638 2HG GLU 671 2HG GLU 671 12.938 5.830 0.494 639 H ASN 672 H ASN 672 10.891 1.019 0.893 640 HA ASN 672 HA ASN 672 13.531 0.303 1.804 641 1HB ASN 672 1HB ASN 672 10.992 -1.326 2.043 642 2HB ASN 672 2HB ASN 672 12.464 -1.500 2.989 643 2HD2 ASN 672 2HD2 ASN 672 9.641 -0.947 3.725 644 1HD2 ASN 672 1HD2 ASN 672 9.701 0.481 4.698 645 H LYS 673 H LYS 673 11.109 -1.742 0.176 646 HA LYS 673 HA LYS 673 12.267 -2.324 -2.196 647 1HB LYS 673 1HB LYS 673 13.591 -4.398 -1.792 648 2HB LYS 673 2HB LYS 673 14.350 -2.947 -1.156 649 1HG LYS 673 1HG LYS 673 13.842 -3.525 1.063 650 2HG LYS 673 2HG LYS 673 12.682 -4.757 0.563 651 1HD LYS 673 1HD LYS 673 15.316 -5.243 -0.544 652 2HD LYS 673 2HD LYS 673 15.354 -5.152 1.218 653 1HE LYS 673 1HE LYS 673 13.656 -6.852 1.388 654 2HE LYS 673 2HE LYS 673 13.442 -6.867 -0.362 655 1HZ LYS 673 1HZ LYS 673 16.139 -7.376 0.592 656 2HZ LYS 673 2HZ LYS 673 15.002 -8.578 0.942 657 3HZ LYS 673 3HZ LYS 673 15.275 -8.115 -0.661 658 H PHE 674 H PHE 674 9.766 -2.433 -0.697 659 HA PHE 674 HA PHE 674 9.016 -5.255 -0.993 660 1HB PHE 674 1HB PHE 674 7.558 -2.982 0.366 661 2HB PHE 674 2HB PHE 674 6.988 -4.645 0.284 662 HD1 PHE 674 HD1 PHE 674 8.290 -2.427 2.459 663 HD2 PHE 674 HD2 PHE 674 9.131 -6.320 0.958 664 HE1 PHE 674 HE1 PHE 674 9.538 -2.947 4.515 665 HE2 PHE 674 HE2 PHE 674 10.379 -6.846 3.012 666 HZ PHE 674 HZ PHE 674 10.583 -5.159 4.794 667 H LEU 675 H LEU 675 8.875 -2.360 -2.673 668 HA LEU 675 HA LEU 675 6.560 -3.304 -4.235 669 1HB LEU 675 1HB LEU 675 7.455 -0.536 -3.514 670 2HB LEU 675 2HB LEU 675 6.482 -0.809 -4.947 671 HG LEU 675 HG LEU 675 5.505 -1.929 -2.366 672 1HD1 LEU 675 1HD1 LEU 675 6.259 0.404 -1.889 673 2HD1 LEU 675 2HD1 LEU 675 5.118 0.960 -3.114 674 3HD1 LEU 675 3HD1 LEU 675 4.530 0.130 -1.673 675 1HD2 LEU 675 1HD2 LEU 675 4.488 -2.081 -4.782 676 2HD2 LEU 675 2HD2 LEU 675 3.450 -1.854 -3.374 677 3HD2 LEU 675 3HD2 LEU 675 3.872 -0.475 -4.388 678 HA PRO 676 HA PRO 676 9.365 -3.413 -7.657 679 1HB PRO 676 1HB PRO 676 7.588 -3.757 -9.663 680 2HB PRO 676 2HB PRO 676 7.950 -5.015 -8.481 681 1HG PRO 676 1HG PRO 676 5.549 -3.322 -8.748 682 2HG PRO 676 2HG PRO 676 5.725 -4.919 -8.011 683 1HD PRO 676 1HD PRO 676 5.605 -2.398 -6.693 684 2HD PRO 676 2HD PRO 676 5.892 -3.987 -5.962 685 H GLU 677 H GLU 677 6.674 -1.960 -9.384 686 HA GLU 677 HA GLU 677 8.175 -0.114 -10.779 687 1HB GLU 677 1HB GLU 677 5.265 0.137 -10.014 688 2HB GLU 677 2HB GLU 677 6.064 1.016 -11.310 689 1HG GLU 677 1HG GLU 677 6.316 -1.903 -11.451 690 2HG GLU 677 2HG GLU 677 4.677 -1.280 -11.633 691 HA PRO 678 HA PRO 678 6.648 3.226 -7.384 692 1HB PRO 678 1HB PRO 678 7.219 1.245 -5.205 693 2HB PRO 678 2HB PRO 678 6.122 2.631 -5.198 694 1HG PRO 678 1HG PRO 678 5.163 0.183 -5.528 695 2HG PRO 678 2HG PRO 678 4.518 1.535 -6.477 696 1HD PRO 678 1HD PRO 678 6.315 -0.681 -7.315 697 2HD PRO 678 2HD PRO 678 5.106 0.214 -8.258 698 HA PRO 679 HA PRO 679 11.126 3.768 -8.008 699 1HB PRO 679 1HB PRO 679 10.766 6.195 -6.469 700 2HB PRO 679 2HB PRO 679 11.137 6.016 -8.182 701 1HG PRO 679 1HG PRO 679 8.560 6.508 -6.876 702 2HG PRO 679 2HG PRO 679 9.022 6.741 -8.570 703 1HD PRO 679 1HD PRO 679 7.324 4.788 -7.775 704 2HD PRO 679 2HD PRO 679 8.425 4.589 -9.156 705 H SER 680 H SER 680 12.897 3.457 -6.745 706 HA SER 680 HA SER 680 12.646 3.598 -3.842 707 1HB SER 680 1HB SER 680 13.581 1.328 -3.554 708 2HB SER 680 2HB SER 680 12.015 1.293 -4.365 709 HG SER 680 HG SER 680 13.993 1.518 -6.173 710 H THR 681 H THR 681 14.609 3.774 -2.742 711 HA THR 681 HA THR 681 16.690 4.639 -2.439 712 HB THR 681 HB THR 681 18.527 3.462 -3.544 713 HG1 THR 681 HG1 THR 681 17.791 1.722 -5.059 714 1HG2 THR 681 1HG2 THR 681 16.241 1.666 -2.734 715 2HG2 THR 681 2HG2 THR 681 17.922 1.155 -2.884 716 3HG2 THR 681 3HG2 THR 681 17.470 2.354 -1.671 717 H ARG 682 H ARG 682 16.417 6.774 -3.041 718 HA ARG 682 HA ARG 682 17.749 7.509 -5.527 719 1HB ARG 682 1HB ARG 682 15.927 9.275 -5.898 720 2HB ARG 682 2HB ARG 682 15.553 7.616 -6.338 721 1HG ARG 682 1HG ARG 682 14.374 7.353 -4.180 722 2HG ARG 682 2HG ARG 682 14.671 9.061 -3.851 723 1HD ARG 682 1HD ARG 682 13.384 8.317 -6.428 724 2HD ARG 682 2HD ARG 682 12.417 8.233 -4.956 725 HE ARG 682 HE ARG 682 13.676 10.702 -4.951 726 1HH1 ARG 682 1HH1 ARG 682 11.358 8.994 -6.918 727 2HH1 ARG 682 2HH1 ARG 682 10.559 10.435 -7.451 728 1HH2 ARG 682 1HH2 ARG 682 12.627 12.601 -5.647 729 2HH2 ARG 682 2HH2 ARG 682 11.281 12.484 -6.730 730 H LYS 683 H LYS 683 19.422 8.580 -4.691 731 HA LYS 683 HA LYS 683 20.646 10.155 -3.606 732 1HB LYS 683 1HB LYS 683 18.441 11.469 -4.619 733 2HB LYS 683 2HB LYS 683 18.444 11.954 -2.927 734 1HG LYS 683 1HG LYS 683 19.900 13.521 -3.518 735 2HG LYS 683 2HG LYS 683 21.084 12.221 -3.673 736 1HD LYS 683 1HD LYS 683 21.002 12.233 -5.944 737 2HD LYS 683 2HD LYS 683 19.295 12.681 -5.986 738 1HE LYS 683 1HE LYS 683 21.432 14.603 -5.115 739 2HE LYS 683 2HE LYS 683 20.983 14.409 -6.809 740 1HZ LYS 683 1HZ LYS 683 18.831 14.864 -4.885 741 2HZ LYS 683 2HZ LYS 683 19.831 16.178 -5.255 742 3HZ LYS 683 3HZ LYS 683 18.979 15.391 -6.485 743 H LYS 684 H LYS 684 19.043 8.064 -2.104 744 HA LYS 684 HA LYS 684 18.648 7.421 0.042 745 1HB LYS 684 1HB LYS 684 20.871 9.420 0.373 746 2HB LYS 684 2HB LYS 684 20.193 8.575 1.759 747 1HG LYS 684 1HG LYS 684 20.990 6.519 1.063 748 2HG LYS 684 2HG LYS 684 21.158 7.040 -0.615 749 1HD LYS 684 1HD LYS 684 22.805 8.732 0.920 750 2HD LYS 684 2HD LYS 684 23.093 7.090 1.500 751 1HE LYS 684 1HE LYS 684 24.519 6.952 -0.223 752 2HE LYS 684 2HE LYS 684 23.067 6.720 -1.198 753 1HZ LYS 684 1HZ LYS 684 23.938 9.462 -0.658 754 2HZ LYS 684 2HZ LYS 684 24.827 8.558 -1.778 755 3HZ LYS 684 3HZ LYS 684 23.175 8.823 -2.024 756 H VAL 685 H VAL 685 16.759 9.189 -0.898 757 HA VAL 685 HA VAL 685 16.292 11.417 0.769 758 HB VAL 685 HB VAL 685 13.879 11.142 -0.016 759 1HG1 VAL 685 1HG1 VAL 685 16.222 12.013 -1.359 760 2HG1 VAL 685 2HG1 VAL 685 15.153 11.271 -2.549 761 3HG1 VAL 685 3HG1 VAL 685 14.567 12.595 -1.542 762 1HG2 VAL 685 1HG2 VAL 685 14.076 8.689 -0.416 763 2HG2 VAL 685 2HG2 VAL 685 13.431 9.589 -1.787 764 3HG2 VAL 685 3HG2 VAL 685 15.109 9.046 -1.801 765 H THR 686 H THR 686 15.371 11.623 2.721 766 HA THR 686 HA THR 686 14.388 9.172 4.025 767 HB THR 686 HB THR 686 16.351 10.062 5.133 768 HG1 THR 686 HG1 THR 686 14.168 10.831 6.767 769 1HG2 THR 686 1HG2 THR 686 14.767 12.625 5.347 770 2HG2 THR 686 2HG2 THR 686 16.282 12.307 6.193 771 3HG2 THR 686 3HG2 THR 686 16.253 12.374 4.431 772 H ILE 687 H ILE 687 12.583 9.330 5.456 773 HA ILE 687 HA ILE 687 10.994 11.749 5.463 774 HB ILE 687 HB ILE 687 10.395 10.615 3.313 775 1HG1 ILE 687 1HG1 ILE 687 7.818 10.355 4.378 776 2HG1 ILE 687 2HG1 ILE 687 8.627 11.514 5.429 777 1HG2 ILE 687 1HG2 ILE 687 10.195 8.347 5.062 778 2HG2 ILE 687 2HG2 ILE 687 8.666 8.608 4.223 779 3HG2 ILE 687 3HG2 ILE 687 10.155 8.409 3.300 780 1HD1 ILE 687 1HD1 ILE 687 8.989 11.951 2.546 781 2HD1 ILE 687 2HD1 ILE 687 7.350 12.172 3.160 782 3HD1 ILE 687 3HD1 ILE 687 8.682 13.103 3.846 783 H LYS 688 H LYS 688 9.250 11.685 6.972 784 HA LYS 688 HA LYS 688 9.293 9.378 8.801 785 1HB LYS 688 1HB LYS 688 9.145 10.851 10.707 786 2HB LYS 688 2HB LYS 688 10.548 11.299 9.747 787 1HG LYS 688 1HG LYS 688 9.785 13.382 9.883 788 2HG LYS 688 2HG LYS 688 8.559 12.891 8.713 789 1HD LYS 688 1HD LYS 688 6.914 12.969 10.238 790 2HD LYS 688 2HD LYS 688 7.901 12.183 11.473 791 1HE LYS 688 1HE LYS 688 9.121 14.425 11.659 792 2HE LYS 688 2HE LYS 688 7.765 15.095 10.751 793 1HZ LYS 688 1HZ LYS 688 6.827 13.496 12.891 794 2HZ LYS 688 2HZ LYS 688 7.904 14.664 13.475 795 3HZ LYS 688 3HZ LYS 688 6.545 15.135 12.583 No H/Q in entry = 795 Start of MODEL 7 1 H1 MET 594 H1 MET 594 11.638 -2.266 10.698 2 H2 MET 594 H2 MET 594 13.179 -1.710 11.119 3 H3 MET 594 H3 MET 594 11.826 -0.726 11.372 4 HA MET 594 HA MET 594 11.884 0.082 9.331 5 1HB MET 594 1HB MET 594 14.394 -0.453 10.087 6 2HB MET 594 2HB MET 594 14.334 -1.465 8.650 7 1HG MET 594 1HG MET 594 13.848 0.409 7.261 8 2HG MET 594 2HG MET 594 13.632 1.458 8.662 9 1HE MET 594 1HE MET 594 16.015 -0.959 6.934 10 2HE MET 594 2HE MET 594 16.240 0.470 5.925 11 3HE MET 594 3HE MET 594 17.565 -0.119 6.929 12 H ASP 595 H ASP 595 12.763 -3.355 9.183 13 HA ASP 595 HA ASP 595 10.670 -3.953 7.349 14 1HB ASP 595 1HB ASP 595 12.417 -4.847 5.604 15 2HB ASP 595 2HB ASP 595 11.904 -3.163 5.558 16 H GLU 596 H GLU 596 10.025 -5.838 8.137 17 HA GLU 596 HA GLU 596 11.611 -8.156 8.126 18 1HB GLU 596 1HB GLU 596 11.927 -6.531 10.448 19 2HB GLU 596 2HB GLU 596 11.064 -7.992 10.915 20 1HG GLU 596 1HG GLU 596 13.447 -8.306 9.193 21 2HG GLU 596 2HG GLU 596 13.713 -7.835 10.872 22 H ASN 597 H ASN 597 9.247 -7.026 10.501 23 HA ASN 597 HA ASN 597 7.694 -9.302 10.574 24 1HB ASN 597 1HB ASN 597 7.703 -7.020 11.956 25 2HB ASN 597 2HB ASN 597 6.303 -6.703 10.933 26 2HD2 ASN 597 2HD2 ASN 597 7.694 -9.171 13.051 27 1HD2 ASN 597 1HD2 ASN 597 6.186 -9.729 13.683 28 H ILE 598 H ILE 598 6.743 -6.292 8.871 29 HA ILE 598 HA ILE 598 4.754 -7.762 7.376 30 HB ILE 598 HB ILE 598 5.555 -4.877 7.008 31 1HG1 ILE 598 1HG1 ILE 598 4.873 -5.187 9.316 32 2HG1 ILE 598 2HG1 ILE 598 3.600 -4.345 8.441 33 1HG2 ILE 598 1HG2 ILE 598 4.014 -6.443 5.405 34 2HG2 ILE 598 2HG2 ILE 598 2.804 -5.728 6.472 35 3HG2 ILE 598 3HG2 ILE 598 3.878 -4.688 5.535 36 1HD1 ILE 598 1HD1 ILE 598 3.345 -7.274 8.553 37 2HD1 ILE 598 2HD1 ILE 598 3.175 -6.422 10.087 38 3HD1 ILE 598 3HD1 ILE 598 2.124 -6.015 8.731 39 H ASN 599 H ASN 599 5.612 -9.089 5.883 40 HA ASN 599 HA ASN 599 7.816 -8.232 4.225 41 1HB ASN 599 1HB ASN 599 7.770 -10.463 3.309 42 2HB ASN 599 2HB ASN 599 7.563 -10.586 5.051 43 2HD2 ASN 599 2HD2 ASN 599 6.866 -12.641 3.386 44 1HD2 ASN 599 1HD2 ASN 599 5.149 -12.828 3.386 45 H PHE 600 H PHE 600 6.741 -9.705 1.836 46 HA PHE 600 HA PHE 600 4.512 -8.030 1.015 47 1HB PHE 600 1HB PHE 600 5.627 -7.134 -0.927 48 2HB PHE 600 2HB PHE 600 6.559 -6.716 0.504 49 HD1 PHE 600 HD1 PHE 600 6.619 -8.236 -2.718 50 HD2 PHE 600 HD2 PHE 600 8.590 -8.159 1.053 51 HE1 PHE 600 HE1 PHE 600 8.624 -9.220 -3.750 52 HE2 PHE 600 HE2 PHE 600 10.599 -9.144 0.028 53 HZ PHE 600 HZ PHE 600 10.617 -9.675 -2.377 54 H LYS 601 H LYS 601 5.955 -10.974 1.094 55 HA LYS 601 HA LYS 601 5.058 -11.860 -1.527 56 1HB LYS 601 1HB LYS 601 6.281 -13.805 -1.163 57 2HB LYS 601 2HB LYS 601 7.236 -12.566 -0.360 58 1HG LYS 601 1HG LYS 601 7.047 -13.572 1.607 59 2HG LYS 601 2HG LYS 601 5.299 -13.758 1.426 60 1HD LYS 601 1HD LYS 601 7.052 -15.485 -0.210 61 2HD LYS 601 2HD LYS 601 6.939 -15.846 1.513 62 1HE LYS 601 1HE LYS 601 5.002 -16.877 1.154 63 2HE LYS 601 2HE LYS 601 4.316 -15.363 0.566 64 1HZ LYS 601 1HZ LYS 601 5.964 -16.662 -1.385 65 2HZ LYS 601 2HZ LYS 601 4.665 -17.629 -0.898 66 3HZ LYS 601 3HZ LYS 601 4.379 -16.085 -1.524 67 H GLN 602 H GLN 602 3.589 -11.362 1.376 68 HA GLN 602 HA GLN 602 2.034 -13.774 1.538 69 1HB GLN 602 1HB GLN 602 1.792 -11.094 2.902 70 2HB GLN 602 2HB GLN 602 0.672 -12.416 3.189 71 1HG GLN 602 1HG GLN 602 3.566 -12.211 3.905 72 2HG GLN 602 2HG GLN 602 2.185 -12.580 4.936 73 2HE2 GLN 602 2HE2 GLN 602 4.460 -13.820 2.629 74 1HE2 GLN 602 1HE2 GLN 602 4.120 -15.495 2.884 75 H SER 603 H SER 603 0.065 -14.194 0.719 76 HA SER 603 HA SER 603 -0.874 -12.764 -1.504 77 1HB SER 603 1HB SER 603 -2.780 -14.274 -1.461 78 2HB SER 603 2HB SER 603 -1.312 -15.176 -1.086 79 HG SER 603 HG SER 603 -2.956 -15.723 0.363 80 H GLU 604 H GLU 604 -1.160 -12.036 1.758 81 HA GLU 604 HA GLU 604 -3.246 -10.069 1.165 82 1HB GLU 604 1HB GLU 604 -3.264 -11.974 3.510 83 2HB GLU 604 2HB GLU 604 -4.264 -10.531 3.420 84 1HG GLU 604 1HG GLU 604 -5.405 -11.386 1.480 85 2HG GLU 604 2HG GLU 604 -4.337 -12.789 1.434 86 H LEU 605 H LEU 605 -2.137 -8.236 1.387 87 HA LEU 605 HA LEU 605 -0.283 -7.941 3.638 88 1HB LEU 605 1HB LEU 605 0.196 -7.378 1.096 89 2HB LEU 605 2HB LEU 605 -0.589 -5.868 1.515 90 HG LEU 605 HG LEU 605 1.082 -5.425 3.224 91 1HD1 LEU 605 1HD1 LEU 605 1.851 -8.225 2.649 92 2HD1 LEU 605 2HD1 LEU 605 3.150 -7.087 3.002 93 3HD1 LEU 605 3HD1 LEU 605 1.854 -7.336 4.172 94 1HD2 LEU 605 1HD2 LEU 605 1.560 -5.553 0.436 95 2HD2 LEU 605 2HD2 LEU 605 2.282 -4.468 1.625 96 3HD2 LEU 605 3HD2 LEU 605 3.052 -6.012 1.259 97 HA PRO 606 HA PRO 606 -3.707 -5.750 5.602 98 1HB PRO 606 1HB PRO 606 -2.268 -5.130 7.866 99 2HB PRO 606 2HB PRO 606 -3.136 -6.648 7.618 100 1HG PRO 606 1HG PRO 606 -0.230 -6.043 7.257 101 2HG PRO 606 2HG PRO 606 -0.998 -7.480 7.959 102 1HD PRO 606 1HD PRO 606 -0.018 -7.489 5.461 103 2HD PRO 606 2HD PRO 606 -1.494 -8.383 5.882 104 H VAL 607 H VAL 607 -4.189 -3.759 4.995 105 HA VAL 607 HA VAL 607 -2.101 -1.685 5.129 106 HB VAL 607 HB VAL 607 -3.871 -0.589 3.412 107 1HG1 VAL 607 1HG1 VAL 607 -1.597 -2.439 2.708 108 2HG1 VAL 607 2HG1 VAL 607 -2.335 -1.276 1.607 109 3HG1 VAL 607 3HG1 VAL 607 -1.487 -0.711 3.047 110 1HG2 VAL 607 1HG2 VAL 607 -4.256 -3.524 3.268 111 2HG2 VAL 607 2HG2 VAL 607 -5.387 -2.213 2.935 112 3HG2 VAL 607 3HG2 VAL 607 -4.159 -2.644 1.744 113 H THR 608 H THR 608 -2.786 0.431 5.760 114 HA THR 608 HA THR 608 -5.454 0.625 6.946 115 HB THR 608 HB THR 608 -4.408 1.702 8.988 116 HG1 THR 608 HG1 THR 608 -2.192 1.264 7.631 117 1HG2 THR 608 1HG2 THR 608 -5.435 -0.542 9.005 118 2HG2 THR 608 2HG2 THR 608 -3.870 -1.240 8.586 119 3HG2 THR 608 3HG2 THR 608 -4.083 -0.414 10.130 120 H CYS 609 H CYS 609 -6.220 2.303 5.788 121 HA CYS 609 HA CYS 609 -4.533 4.706 5.566 122 1HB CYS 609 1HB CYS 609 -5.128 3.900 3.395 123 2HB CYS 609 2HB CYS 609 -6.815 3.723 3.856 124 HG CYS 609 HG CYS 609 -6.387 6.789 4.412 125 H GLY 610 H GLY 610 -5.004 5.993 7.244 126 1HA GLY 610 1HA GLY 610 -7.428 7.385 7.392 127 2HA GLY 610 2HA GLY 610 -6.198 7.360 8.648 128 H GLU 611 H GLU 611 -6.165 4.950 9.673 129 HA GLU 611 HA GLU 611 -7.193 3.607 11.193 130 1HB GLU 611 1HB GLU 611 -9.571 5.448 10.901 131 2HB GLU 611 2HB GLU 611 -9.282 4.312 12.211 132 1HG GLU 611 1HG GLU 611 -7.087 6.173 11.857 133 2HG GLU 611 2HG GLU 611 -8.619 6.983 12.183 134 H VAL 612 H VAL 612 -8.094 3.934 8.074 135 HA VAL 612 HA VAL 612 -10.266 1.974 8.149 136 HB VAL 612 HB VAL 612 -9.111 3.566 5.855 137 1HG1 VAL 612 1HG1 VAL 612 -10.005 1.336 5.183 138 2HG1 VAL 612 2HG1 VAL 612 -11.569 1.818 5.838 139 3HG1 VAL 612 3HG1 VAL 612 -10.873 2.701 4.479 140 1HG2 VAL 612 1HG2 VAL 612 -10.377 4.896 7.477 141 2HG2 VAL 612 2HG2 VAL 612 -11.214 4.791 5.929 142 3HG2 VAL 612 3HG2 VAL 612 -11.754 3.810 7.292 143 H LYS 613 H LYS 613 -9.313 0.016 8.569 144 HA LYS 613 HA LYS 613 -6.904 -0.837 7.295 145 1HB LYS 613 1HB LYS 613 -8.154 -1.612 9.538 146 2HB LYS 613 2HB LYS 613 -8.758 -2.849 8.443 147 1HG LYS 613 1HG LYS 613 -6.265 -3.143 7.806 148 2HG LYS 613 2HG LYS 613 -5.957 -2.311 9.328 149 1HD LYS 613 1HD LYS 613 -7.823 -4.647 9.226 150 2HD LYS 613 2HD LYS 613 -6.077 -4.898 9.292 151 1HE LYS 613 1HE LYS 613 -5.895 -4.045 11.407 152 2HE LYS 613 2HE LYS 613 -7.303 -3.003 11.217 153 1HZ LYS 613 1HZ LYS 613 -7.504 -5.953 11.412 154 2HZ LYS 613 2HZ LYS 613 -7.585 -4.938 12.763 155 3HZ LYS 613 3HZ LYS 613 -8.753 -4.818 11.545 156 H GLY 614 H GLY 614 -6.863 -2.984 6.104 157 1HA GLY 614 1HA GLY 614 -8.187 -2.730 3.655 158 2HA GLY 614 2HA GLY 614 -9.084 -3.888 4.625 159 H THR 615 H THR 615 -8.499 -5.390 2.894 160 HA THR 615 HA THR 615 -5.885 -6.614 3.443 161 HB THR 615 HB THR 615 -7.595 -8.256 1.803 162 HG1 THR 615 HG1 THR 615 -9.433 -7.613 2.692 163 1HG2 THR 615 1HG2 THR 615 -6.187 -8.432 4.427 164 2HG2 THR 615 2HG2 THR 615 -7.395 -9.653 4.026 165 3HG2 THR 615 3HG2 THR 615 -5.996 -9.420 2.977 166 H LEU 616 H LEU 616 -4.330 -6.281 2.009 167 HA LEU 616 HA LEU 616 -4.991 -5.441 -0.701 168 1HB LEU 616 1HB LEU 616 -3.291 -4.218 0.611 169 2HB LEU 616 2HB LEU 616 -2.311 -5.670 0.673 170 HG LEU 616 HG LEU 616 -2.944 -5.030 -2.062 171 1HD1 LEU 616 1HD1 LEU 616 -1.668 -2.844 -0.424 172 2HD1 LEU 616 2HD1 LEU 616 -1.618 -2.938 -2.184 173 3HD1 LEU 616 3HD1 LEU 616 -3.162 -2.742 -1.355 174 1HD2 LEU 616 1HD2 LEU 616 -0.815 -6.018 -0.482 175 2HD2 LEU 616 2HD2 LEU 616 -0.955 -5.993 -2.240 176 3HD2 LEU 616 3HD2 LEU 616 -0.205 -4.639 -1.395 177 H TYR 617 H TYR 617 -5.019 -6.795 -2.368 178 HA TYR 617 HA TYR 617 -3.948 -9.492 -2.021 179 1HB TYR 617 1HB TYR 617 -6.004 -8.255 -3.800 180 2HB TYR 617 2HB TYR 617 -5.192 -9.719 -4.344 181 HD1 TYR 617 HD1 TYR 617 -7.051 -8.341 -1.421 182 HD2 TYR 617 HD2 TYR 617 -6.003 -11.792 -3.675 183 HE1 TYR 617 HE1 TYR 617 -8.592 -9.689 -0.061 184 HE2 TYR 617 HE2 TYR 617 -7.542 -13.152 -2.322 185 HH TYR 617 HH TYR 617 -9.142 -11.844 0.510 186 H LYS 618 H LYS 618 -2.224 -10.253 -3.081 187 HA LYS 618 HA LYS 618 -0.490 -8.495 -4.470 188 1HB LYS 618 1HB LYS 618 -0.440 -11.514 -4.304 189 2HB LYS 618 2HB LYS 618 0.881 -10.504 -4.872 190 1HG LYS 618 1HG LYS 618 -0.273 -10.199 -2.121 191 2HG LYS 618 2HG LYS 618 0.999 -11.368 -2.482 192 1HD LYS 618 1HD LYS 618 2.580 -9.773 -2.700 193 2HD LYS 618 2HD LYS 618 1.474 -8.638 -3.477 194 1HE LYS 618 1HE LYS 618 1.998 -9.103 -0.576 195 2HE LYS 618 2HE LYS 618 1.892 -7.586 -1.468 196 1HZ LYS 618 1HZ LYS 618 -0.583 -8.454 -1.763 197 2HZ LYS 618 2HZ LYS 618 -0.226 -9.197 -0.286 198 3HZ LYS 618 3HZ LYS 618 -0.101 -7.518 -0.439 199 H GLU 619 H GLU 619 -2.887 -10.823 -5.527 200 HA GLU 619 HA GLU 619 -2.137 -11.208 -8.163 201 1HB GLU 619 1HB GLU 619 -4.355 -11.915 -8.586 202 2HB GLU 619 2HB GLU 619 -4.035 -12.320 -6.905 203 1HG GLU 619 1HG GLU 619 -5.674 -11.013 -6.168 204 2HG GLU 619 2HG GLU 619 -5.201 -9.678 -7.216 205 H ARG 620 H ARG 620 -3.256 -8.346 -6.664 206 HA ARG 620 HA ARG 620 -3.523 -7.062 -9.303 207 1HB ARG 620 1HB ARG 620 -5.014 -6.373 -6.767 208 2HB ARG 620 2HB ARG 620 -5.133 -5.498 -8.286 209 1HG ARG 620 1HG ARG 620 -5.833 -7.803 -9.257 210 2HG ARG 620 2HG ARG 620 -6.175 -8.201 -7.572 211 1HD ARG 620 1HD ARG 620 -7.823 -6.561 -7.395 212 2HD ARG 620 2HD ARG 620 -7.237 -5.687 -8.811 213 HE ARG 620 HE ARG 620 -8.145 -8.304 -9.478 214 1HH1 ARG 620 1HH1 ARG 620 -9.227 -5.071 -8.758 215 2HH1 ARG 620 2HH1 ARG 620 -10.701 -5.227 -9.655 216 1HH2 ARG 620 1HH2 ARG 620 -10.082 -8.519 -10.659 217 2HH2 ARG 620 2HH2 ARG 620 -11.186 -7.187 -10.737 218 H PHE 621 H PHE 621 -2.186 -6.989 -6.114 219 HA PHE 621 HA PHE 621 -1.326 -4.337 -5.938 220 1HB PHE 621 1HB PHE 621 -1.185 -5.692 -3.988 221 2HB PHE 621 2HB PHE 621 -0.204 -6.900 -4.809 222 HD1 PHE 621 HD1 PHE 621 -0.072 -3.252 -4.028 223 HD2 PHE 621 HD2 PHE 621 2.027 -6.944 -4.282 224 HE1 PHE 621 HE1 PHE 621 1.962 -2.148 -3.196 225 HE2 PHE 621 HE2 PHE 621 4.065 -5.848 -3.451 226 HZ PHE 621 HZ PHE 621 4.041 -3.459 -2.903 227 H LYS 622 H LYS 622 -0.265 -6.904 -7.936 228 HA LYS 622 HA LYS 622 2.391 -6.409 -8.413 229 1HB LYS 622 1HB LYS 622 0.206 -7.229 -10.323 230 2HB LYS 622 2HB LYS 622 1.908 -7.217 -10.767 231 1HG LYS 622 1HG LYS 622 2.368 -9.081 -9.584 232 2HG LYS 622 2HG LYS 622 1.224 -8.681 -8.301 233 1HD LYS 622 1HD LYS 622 0.234 -10.526 -9.297 234 2HD LYS 622 2HD LYS 622 -0.581 -9.179 -10.093 235 1HE LYS 622 1HE LYS 622 0.387 -9.600 -12.096 236 2HE LYS 622 2HE LYS 622 1.898 -10.146 -11.371 237 1HZ LYS 622 1HZ LYS 622 0.572 -12.185 -10.673 238 2HZ LYS 622 2HZ LYS 622 -0.597 -11.676 -11.787 239 3HZ LYS 622 3HZ LYS 622 0.968 -12.047 -12.311 240 H GLN 623 H GLN 623 -0.205 -4.287 -9.004 241 HA GLN 623 HA GLN 623 1.558 -2.566 -10.617 242 1HB GLN 623 1HB GLN 623 -0.993 -1.714 -11.235 243 2HB GLN 623 2HB GLN 623 0.035 -2.711 -12.252 244 1HG GLN 623 1HG GLN 623 -1.190 -4.488 -10.487 245 2HG GLN 623 2HG GLN 623 -2.452 -3.355 -10.965 246 2HE2 GLN 623 2HE2 GLN 623 -1.745 -6.250 -11.617 247 1HE2 GLN 623 1HE2 GLN 623 -1.859 -6.318 -13.340 248 H GLY 624 H GLY 624 -0.332 -2.930 -7.820 249 1HA GLY 624 1HA GLY 624 0.440 -0.380 -6.814 250 2HA GLY 624 2HA GLY 624 -0.628 -1.526 -6.020 251 H THR 625 H THR 625 -0.435 1.494 -7.355 252 HA THR 625 HA THR 625 -3.200 2.014 -7.005 253 HB THR 625 HB THR 625 -1.458 3.715 -6.622 254 HG1 THR 625 HG1 THR 625 -3.129 4.696 -8.680 255 1HG2 THR 625 1HG2 THR 625 -1.082 3.395 -9.572 256 2HG2 THR 625 2HG2 THR 625 -0.762 4.952 -8.810 257 3HG2 THR 625 3HG2 THR 625 0.129 3.520 -8.296 258 H SER 626 H SER 626 -2.444 0.048 -9.196 259 HA SER 626 HA SER 626 -3.987 1.356 -11.336 260 1HB SER 626 1HB SER 626 -1.372 0.427 -11.552 261 2HB SER 626 2HB SER 626 -2.342 -0.856 -12.274 262 HG SER 626 HG SER 626 -1.706 1.532 -13.293 263 H LYS 627 H LYS 627 -4.178 -0.846 -8.979 264 HA LYS 627 HA LYS 627 -6.378 -2.227 -10.235 265 1HB LYS 627 1HB LYS 627 -3.794 -3.582 -9.610 266 2HB LYS 627 2HB LYS 627 -5.287 -4.459 -9.303 267 1HG LYS 627 1HG LYS 627 -4.635 -3.202 -11.952 268 2HG LYS 627 2HG LYS 627 -4.216 -4.865 -11.536 269 1HD LYS 627 1HD LYS 627 -6.246 -5.476 -12.208 270 2HD LYS 627 2HD LYS 627 -6.915 -4.569 -10.851 271 1HE LYS 627 1HE LYS 627 -6.177 -3.029 -13.271 272 2HE LYS 627 2HE LYS 627 -7.583 -4.087 -13.394 273 1HZ LYS 627 1HZ LYS 627 -7.885 -2.769 -11.007 274 2HZ LYS 627 2HZ LYS 627 -7.328 -1.578 -12.073 275 3HZ LYS 627 3HZ LYS 627 -8.725 -2.459 -12.441 276 H LYS 628 H LYS 628 -7.955 -2.292 -8.786 277 HA LYS 628 HA LYS 628 -7.528 -1.632 -6.052 278 1HB LYS 628 1HB LYS 628 -10.019 -2.392 -5.910 279 2HB LYS 628 2HB LYS 628 -9.604 -0.936 -6.804 280 1HG LYS 628 1HG LYS 628 -9.429 -2.828 -8.748 281 2HG LYS 628 2HG LYS 628 -10.729 -3.470 -7.741 282 1HD LYS 628 1HD LYS 628 -12.036 -1.527 -8.015 283 2HD LYS 628 2HD LYS 628 -10.674 -0.607 -8.659 284 1HE LYS 628 1HE LYS 628 -10.690 -2.419 -10.530 285 2HE LYS 628 2HE LYS 628 -12.342 -2.704 -9.984 286 1HZ LYS 628 1HZ LYS 628 -12.274 -0.028 -10.206 287 2HZ LYS 628 2HZ LYS 628 -11.252 -0.486 -11.472 288 3HZ LYS 628 3HZ LYS 628 -12.837 -1.074 -11.411 289 H CYS 629 H CYS 629 -6.428 -3.040 -4.810 290 HA CYS 629 HA CYS 629 -7.339 -5.845 -4.804 291 1HB CYS 629 1HB CYS 629 -4.905 -6.021 -3.656 292 2HB CYS 629 2HB CYS 629 -5.174 -6.198 -5.385 293 HG CYS 629 HG CYS 629 -3.303 -4.031 -3.821 294 H ILE 630 H ILE 630 -7.660 -3.106 -3.105 295 HA ILE 630 HA ILE 630 -7.247 -4.282 -0.464 296 HB ILE 630 HB ILE 630 -8.088 -1.495 -1.262 297 1HG1 ILE 630 1HG1 ILE 630 -5.575 -2.012 0.212 298 2HG1 ILE 630 2HG1 ILE 630 -5.614 -2.578 -1.455 299 1HG2 ILE 630 1HG2 ILE 630 -7.752 -2.792 1.418 300 2HG2 ILE 630 2HG2 ILE 630 -7.520 -1.056 1.210 301 3HG2 ILE 630 3HG2 ILE 630 -9.076 -1.790 0.825 302 1HD1 ILE 630 1HD1 ILE 630 -6.251 -0.298 -2.163 303 2HD1 ILE 630 2HD1 ILE 630 -6.064 0.234 -0.492 304 3HD1 ILE 630 3HD1 ILE 630 -4.672 -0.380 -1.383 305 H GLN 631 H GLN 631 -8.836 -5.585 0.187 306 HA GLN 631 HA GLN 631 -11.589 -5.050 -0.574 307 1HB GLN 631 1HB GLN 631 -10.637 -7.356 -0.642 308 2HB GLN 631 2HB GLN 631 -10.477 -7.302 1.107 309 1HG GLN 631 1HG GLN 631 -12.880 -7.082 1.346 310 2HG GLN 631 2HG GLN 631 -13.067 -7.063 -0.407 311 2HE2 GLN 631 2HE2 GLN 631 -14.528 -8.867 0.716 312 1HE2 GLN 631 1HE2 GLN 631 -13.862 -10.456 0.589 313 H SER 632 H SER 632 -12.878 -3.846 0.624 314 HA SER 632 HA SER 632 -12.170 -3.282 3.397 315 1HB SER 632 1HB SER 632 -12.886 -1.551 1.531 316 2HB SER 632 2HB SER 632 -14.512 -2.014 2.034 317 HG SER 632 HG SER 632 -13.821 -0.265 3.262 318 H GLU 633 H GLU 633 -14.051 -3.055 4.937 319 HA GLU 633 HA GLU 633 -15.241 -5.521 5.397 320 1HB GLU 633 1HB GLU 633 -15.263 -2.906 6.605 321 2HB GLU 633 2HB GLU 633 -16.874 -3.609 6.653 322 1HG GLU 633 1HG GLU 633 -16.206 -5.380 7.978 323 2HG GLU 633 2HG GLU 633 -14.511 -5.217 7.519 324 H ASP 634 H ASP 634 -16.210 -3.048 3.236 325 HA ASP 634 HA ASP 634 -18.996 -3.837 3.185 326 1HB ASP 634 1HB ASP 634 -17.510 -1.996 1.301 327 2HB ASP 634 2HB ASP 634 -19.257 -2.138 1.473 328 H LYS 635 H LYS 635 -16.632 -5.635 2.411 329 HA LYS 635 HA LYS 635 -16.116 -7.220 0.855 330 1HB LYS 635 1HB LYS 635 -18.743 -7.491 1.461 331 2HB LYS 635 2HB LYS 635 -18.849 -7.252 -0.278 332 1HG LYS 635 1HG LYS 635 -16.774 -9.120 0.224 333 2HG LYS 635 2HG LYS 635 -18.196 -9.609 1.148 334 1HD LYS 635 1HD LYS 635 -18.852 -10.571 -0.773 335 2HD LYS 635 2HD LYS 635 -19.305 -8.932 -1.247 336 1HE LYS 635 1HE LYS 635 -16.701 -8.910 -1.923 337 2HE LYS 635 2HE LYS 635 -17.056 -10.623 -2.148 338 1HZ LYS 635 1HZ LYS 635 -19.135 -9.129 -3.286 339 2HZ LYS 635 2HZ LYS 635 -17.670 -8.497 -3.852 340 3HZ LYS 635 3HZ LYS 635 -18.022 -10.137 -4.063 341 H LYS 636 H LYS 636 -15.669 -4.559 0.069 342 HA LYS 636 HA LYS 636 -15.944 -4.838 -2.845 343 1HB LYS 636 1HB LYS 636 -17.506 -3.187 -2.617 344 2HB LYS 636 2HB LYS 636 -16.819 -2.592 -1.114 345 1HG LYS 636 1HG LYS 636 -16.508 -0.877 -2.678 346 2HG LYS 636 2HG LYS 636 -14.931 -1.652 -2.510 347 1HD LYS 636 1HD LYS 636 -15.116 -1.460 -4.805 348 2HD LYS 636 2HD LYS 636 -15.739 -3.088 -4.536 349 1HE LYS 636 1HE LYS 636 -17.646 -2.508 -5.511 350 2HE LYS 636 2HE LYS 636 -17.908 -1.296 -4.257 351 1HZ LYS 636 1HZ LYS 636 -16.210 0.017 -5.785 352 2HZ LYS 636 2HZ LYS 636 -16.897 -0.971 -6.973 353 3HZ LYS 636 3HZ LYS 636 -17.880 0.054 -6.055 354 H TRP 637 H TRP 637 -14.153 -4.328 -4.010 355 HA TRP 637 HA TRP 637 -11.728 -3.806 -2.483 356 1HB TRP 637 1HB TRP 637 -12.122 -4.608 -5.374 357 2HB TRP 637 2HB TRP 637 -10.559 -4.410 -4.592 358 HD1 TRP 637 HD1 TRP 637 -13.168 -6.078 -2.442 359 HE1 TRP 637 HE1 TRP 637 -12.650 -8.591 -2.253 360 HE3 TRP 637 HE3 TRP 637 -9.534 -6.434 -6.022 361 HZ2 TRP 637 HZ2 TRP 637 -10.931 -10.476 -3.459 362 HZ3 TRP 637 HZ3 TRP 637 -8.504 -8.629 -6.441 363 HH2 TRP 637 HH2 TRP 637 -9.189 -10.607 -5.185 364 H PHE 638 H PHE 638 -10.510 -2.014 -2.624 365 HA PHE 638 HA PHE 638 -11.380 0.108 -4.475 366 1HB PHE 638 1HB PHE 638 -10.333 0.354 -1.648 367 2HB PHE 638 2HB PHE 638 -10.554 1.717 -2.736 368 HD1 PHE 638 HD1 PHE 638 -12.711 2.640 -3.141 369 HD2 PHE 638 HD2 PHE 638 -12.274 -0.881 -0.792 370 HE1 PHE 638 HE1 PHE 638 -15.049 2.845 -2.405 371 HE2 PHE 638 HE2 PHE 638 -14.610 -0.683 -0.051 372 HZ PHE 638 HZ PHE 638 -15.979 1.236 -0.803 373 H THR 639 H THR 639 -9.680 1.648 -5.068 374 HA THR 639 HA THR 639 -7.113 0.283 -5.431 375 HB THR 639 HB THR 639 -6.870 2.615 -6.829 376 HG1 THR 639 HG1 THR 639 -8.886 3.403 -6.700 377 1HG2 THR 639 1HG2 THR 639 -6.771 0.037 -7.450 378 2HG2 THR 639 2HG2 THR 639 -8.329 0.410 -8.188 379 3HG2 THR 639 3HG2 THR 639 -6.883 1.287 -8.689 380 HA PRO 640 HA PRO 640 -4.780 2.594 -2.475 381 1HB PRO 640 1HB PRO 640 -3.139 3.547 -4.792 382 2HB PRO 640 2HB PRO 640 -2.611 2.884 -3.238 383 1HG PRO 640 1HG PRO 640 -2.568 1.356 -5.398 384 2HG PRO 640 2HG PRO 640 -3.127 0.694 -3.851 385 1HD PRO 640 1HD PRO 640 -4.712 1.514 -6.244 386 2HD PRO 640 2HD PRO 640 -4.997 0.186 -5.101 387 H ARG 641 H ARG 641 -6.147 4.131 -5.254 388 HA ARG 641 HA ARG 641 -5.720 6.816 -4.210 389 1HB ARG 641 1HB ARG 641 -5.513 6.846 -6.523 390 2HB ARG 641 2HB ARG 641 -6.803 5.676 -6.758 391 1HG ARG 641 1HG ARG 641 -7.623 7.734 -7.550 392 2HG ARG 641 2HG ARG 641 -8.405 7.463 -5.992 393 1HD ARG 641 1HD ARG 641 -6.515 8.872 -5.004 394 2HD ARG 641 2HD ARG 641 -6.165 9.349 -6.664 395 HE ARG 641 HE ARG 641 -8.373 10.213 -5.037 396 1HH1 ARG 641 1HH1 ARG 641 -7.204 9.786 -8.292 397 2HH1 ARG 641 2HH1 ARG 641 -8.272 10.969 -8.968 398 1HH2 ARG 641 1HH2 ARG 641 -9.782 11.774 -5.920 399 2HH2 ARG 641 2HH2 ARG 641 -9.737 12.100 -7.620 400 H GLU 642 H GLU 642 -8.532 4.852 -5.213 401 HA GLU 642 HA GLU 642 -10.494 6.509 -4.094 402 1HB GLU 642 1HB GLU 642 -10.461 4.138 -5.544 403 2HB GLU 642 2HB GLU 642 -11.200 3.684 -4.014 404 1HG GLU 642 1HG GLU 642 -12.972 5.182 -4.292 405 2HG GLU 642 2HG GLU 642 -12.130 6.080 -5.553 406 H PHE 643 H PHE 643 -8.329 4.264 -2.673 407 HA PHE 643 HA PHE 643 -9.799 3.824 -0.256 408 1HB PHE 643 1HB PHE 643 -7.908 2.370 -1.332 409 2HB PHE 643 2HB PHE 643 -6.827 3.462 -0.475 410 HD1 PHE 643 HD1 PHE 643 -5.949 2.400 1.355 411 HD2 PHE 643 HD2 PHE 643 -10.071 1.861 0.448 412 HE1 PHE 643 HE1 PHE 643 -6.222 1.064 3.403 413 HE2 PHE 643 HE2 PHE 643 -10.352 0.525 2.494 414 HZ PHE 643 HZ PHE 643 -8.426 0.126 3.975 415 H GLU 644 H GLU 644 -7.234 5.980 -1.338 416 HA GLU 644 HA GLU 644 -6.591 7.132 1.141 417 1HB GLU 644 1HB GLU 644 -5.185 7.510 -0.799 418 2HB GLU 644 2HB GLU 644 -6.507 8.295 -1.653 419 1HG GLU 644 1HG GLU 644 -5.908 9.549 0.901 420 2HG GLU 644 2HG GLU 644 -4.538 9.546 -0.208 421 H ILE 645 H ILE 645 -9.152 7.654 -1.150 422 HA ILE 645 HA ILE 645 -10.175 10.056 0.018 423 HB ILE 645 HB ILE 645 -11.288 8.064 -1.947 424 1HG1 ILE 645 1HG1 ILE 645 -10.797 11.000 -2.367 425 2HG1 ILE 645 2HG1 ILE 645 -9.483 9.834 -2.494 426 1HG2 ILE 645 1HG2 ILE 645 -12.790 9.875 -0.308 427 2HG2 ILE 645 2HG2 ILE 645 -12.912 10.343 -2.004 428 3HG2 ILE 645 3HG2 ILE 645 -13.359 8.712 -1.506 429 1HD1 ILE 645 1HD1 ILE 645 -12.023 9.619 -4.080 430 2HD1 ILE 645 2HD1 ILE 645 -10.591 10.479 -4.647 431 3HD1 ILE 645 3HD1 ILE 645 -10.509 8.747 -4.323 432 H GLU 646 H GLU 646 -10.877 6.619 0.323 433 HA GLU 646 HA GLU 646 -13.186 6.919 1.959 434 1HB GLU 646 1HB GLU 646 -12.969 4.882 0.759 435 2HB GLU 646 2HB GLU 646 -11.349 4.600 1.380 436 1HG GLU 646 1HG GLU 646 -12.158 4.021 3.515 437 2HG GLU 646 2HG GLU 646 -13.766 4.648 3.158 438 H GLY 647 H GLY 647 -9.756 6.723 2.597 439 1HA GLY 647 1HA GLY 647 -8.642 6.438 4.648 440 2HA GLY 647 2HA GLY 647 -10.195 6.426 5.466 441 H ASP 648 H ASP 648 -8.268 8.657 3.468 442 HA ASP 648 HA ASP 648 -8.105 10.608 5.530 443 1HB ASP 648 1HB ASP 648 -6.725 10.153 3.214 444 2HB ASP 648 2HB ASP 648 -7.695 11.556 2.772 445 H ARG 649 H ARG 649 -9.436 11.187 2.279 446 HA ARG 649 HA ARG 649 -12.050 11.780 2.924 447 1HB ARG 649 1HB ARG 649 -10.596 13.602 4.258 448 2HB ARG 649 2HB ARG 649 -10.743 14.435 2.716 449 1HG ARG 649 1HG ARG 649 -12.525 15.203 4.039 450 2HG ARG 649 2HG ARG 649 -13.236 14.059 2.898 451 1HD ARG 649 1HD ARG 649 -13.338 12.353 4.567 452 2HD ARG 649 2HD ARG 649 -12.397 13.326 5.696 453 HE ARG 649 HE ARG 649 -14.617 14.833 5.136 454 1HH1 ARG 649 1HH1 ARG 649 -14.024 11.641 6.404 455 2HH1 ARG 649 2HH1 ARG 649 -15.454 11.624 7.382 456 1HH2 ARG 649 1HH2 ARG 649 -16.501 14.818 6.424 457 2HH2 ARG 649 2HH2 ARG 649 -16.861 13.429 7.394 458 H GLY 650 H GLY 650 -9.244 12.596 1.026 459 1HA GLY 650 1HA GLY 650 -11.008 12.969 -1.316 460 2HA GLY 650 2HA GLY 650 -9.485 12.091 -1.390 461 H ALA 651 H ALA 651 -9.794 14.961 0.535 462 HA ALA 651 HA ALA 651 -8.993 16.858 -1.400 463 1HB ALA 651 1HB ALA 651 -8.421 17.138 1.532 464 2HB ALA 651 2HB ALA 651 -8.832 18.388 0.357 465 3HB ALA 651 3HB ALA 651 -10.065 17.251 0.903 466 H SER 652 H SER 652 -7.314 14.344 0.080 467 HA SER 652 HA SER 652 -4.723 15.561 0.198 468 1HB SER 652 1HB SER 652 -5.892 12.911 0.729 469 2HB SER 652 2HB SER 652 -4.248 12.857 0.095 470 HG SER 652 HG SER 652 -4.396 13.016 2.419 471 H LYS 653 H LYS 653 -3.509 13.105 -1.090 472 HA LYS 653 HA LYS 653 -4.144 12.981 -3.809 473 1HB LYS 653 1HB LYS 653 -3.493 15.185 -4.197 474 2HB LYS 653 2HB LYS 653 -2.186 15.111 -3.028 475 1HG LYS 653 1HG LYS 653 -0.907 14.999 -4.874 476 2HG LYS 653 2HG LYS 653 -1.324 13.286 -4.815 477 1HD LYS 653 1HD LYS 653 -2.905 13.485 -6.508 478 2HD LYS 653 2HD LYS 653 -3.078 15.226 -6.273 479 1HE LYS 653 1HE LYS 653 -1.519 15.637 -7.801 480 2HE LYS 653 2HE LYS 653 -0.366 14.600 -6.963 481 1HZ LYS 653 1HZ LYS 653 -1.601 12.698 -8.092 482 2HZ LYS 653 2HZ LYS 653 -2.271 13.878 -9.104 483 3HZ LYS 653 3HZ LYS 653 -0.595 13.653 -9.061 484 H ASN 654 H ASN 654 -1.214 13.220 -1.783 485 HA ASN 654 HA ASN 654 0.103 11.076 -3.121 486 1HB ASN 654 1HB ASN 654 1.090 13.040 -1.693 487 2HB ASN 654 2HB ASN 654 0.837 11.935 -0.345 488 2HD2 ASN 654 2HD2 ASN 654 2.998 12.942 -2.609 489 1HD2 ASN 654 1HD2 ASN 654 4.056 11.578 -2.623 490 H TRP 655 H TRP 655 -1.024 9.195 -3.082 491 HA TRP 655 HA TRP 655 -2.321 8.191 -0.745 492 1HB TRP 655 1HB TRP 655 -2.559 6.099 -2.122 493 2HB TRP 655 2HB TRP 655 -3.206 7.552 -2.877 494 HD1 TRP 655 HD1 TRP 655 -2.103 8.353 -5.132 495 HE1 TRP 655 HE1 TRP 655 -0.384 7.295 -6.727 496 HE3 TRP 655 HE3 TRP 655 -0.408 4.586 -2.118 497 HZ2 TRP 655 HZ2 TRP 655 1.449 5.148 -6.711 498 HZ3 TRP 655 HZ3 TRP 655 1.331 3.074 -2.985 499 HH2 TRP 655 HH2 TRP 655 2.238 3.351 -5.234 500 H LYS 656 H LYS 656 0.887 8.021 -1.988 501 HA LYS 656 HA LYS 656 1.699 5.591 -0.795 502 1HB LYS 656 1HB LYS 656 3.539 7.922 -1.263 503 2HB LYS 656 2HB LYS 656 3.899 6.205 -1.362 504 1HG LYS 656 1HG LYS 656 2.271 6.159 -3.331 505 2HG LYS 656 2HG LYS 656 2.405 7.918 -3.314 506 1HD LYS 656 1HD LYS 656 4.977 7.419 -3.305 507 2HD LYS 656 2HD LYS 656 4.470 5.858 -3.956 508 1HE LYS 656 1HE LYS 656 4.922 7.240 -5.822 509 2HE LYS 656 2HE LYS 656 3.167 7.142 -5.693 510 1HZ LYS 656 1HZ LYS 656 4.750 9.378 -4.561 511 2HZ LYS 656 2HZ LYS 656 4.083 9.412 -6.115 512 3HZ LYS 656 3HZ LYS 656 3.073 9.299 -4.764 513 H LEU 657 H LEU 657 1.098 8.711 0.498 514 HA LEU 657 HA LEU 657 2.480 7.983 2.992 515 1HB LEU 657 1HB LEU 657 1.725 10.660 1.844 516 2HB LEU 657 2HB LEU 657 2.219 10.458 3.514 517 HG LEU 657 HG LEU 657 3.973 9.559 1.244 518 1HD1 LEU 657 1HD1 LEU 657 3.254 12.047 1.180 519 2HD1 LEU 657 2HD1 LEU 657 4.311 12.210 2.583 520 3HD1 LEU 657 3HD1 LEU 657 4.965 11.637 1.048 521 1HD2 LEU 657 1HD2 LEU 657 4.296 8.851 3.686 522 2HD2 LEU 657 2HD2 LEU 657 5.685 9.523 2.830 523 3HD2 LEU 657 3HD2 LEU 657 4.780 10.523 3.967 524 H SER 658 H SER 658 -0.589 8.789 1.580 525 HA SER 658 HA SER 658 -1.937 9.327 4.038 526 1HB SER 658 1HB SER 658 -3.160 10.268 2.368 527 2HB SER 658 2HB SER 658 -2.696 9.040 1.190 528 HG SER 658 HG SER 658 -4.304 7.766 1.853 529 H ILE 659 H ILE 659 -1.275 6.438 2.184 530 HA ILE 659 HA ILE 659 -2.962 4.887 4.033 531 HB ILE 659 HB ILE 659 -1.803 3.917 1.424 532 1HG1 ILE 659 1HG1 ILE 659 -4.568 5.014 1.991 533 2HG1 ILE 659 2HG1 ILE 659 -3.331 5.796 1.012 534 1HG2 ILE 659 1HG2 ILE 659 -3.583 2.777 3.507 535 2HG2 ILE 659 2HG2 ILE 659 -3.916 2.363 1.825 536 3HG2 ILE 659 3HG2 ILE 659 -2.340 1.998 2.528 537 1HD1 ILE 659 1HD1 ILE 659 -3.679 3.228 -0.062 538 2HD1 ILE 659 2HD1 ILE 659 -5.292 3.869 0.251 539 3HD1 ILE 659 3HD1 ILE 659 -4.163 4.774 -0.758 540 H ARG 660 H ARG 660 -2.128 3.201 5.197 541 HA ARG 660 HA ARG 660 0.806 2.976 5.210 542 1HB ARG 660 1HB ARG 660 -0.875 2.072 7.513 543 2HB ARG 660 2HB ARG 660 0.781 2.657 7.505 544 1HG ARG 660 1HG ARG 660 -0.181 4.928 6.901 545 2HG ARG 660 2HG ARG 660 -1.757 4.251 7.323 546 1HD ARG 660 1HD ARG 660 -0.149 3.534 9.450 547 2HD ARG 660 2HD ARG 660 0.414 5.155 9.040 548 HE ARG 660 HE ARG 660 -2.282 5.419 9.089 549 1HH1 ARG 660 1HH1 ARG 660 0.044 4.142 11.347 550 2HH1 ARG 660 2HH1 ARG 660 -0.882 4.577 12.744 551 1HH2 ARG 660 1HH2 ARG 660 -3.506 5.998 10.924 552 2HH2 ARG 660 2HH2 ARG 660 -2.898 5.633 12.504 553 H CYS 661 H CYS 661 1.604 0.806 6.009 554 HA CYS 661 HA CYS 661 -0.130 -1.410 5.182 555 1HB CYS 661 1HB CYS 661 1.685 -0.481 3.432 556 2HB CYS 661 2HB CYS 661 2.719 -1.569 4.353 557 HG CYS 661 HG CYS 661 2.078 -3.171 2.323 558 H GLY 662 H GLY 662 -0.331 -2.262 7.211 559 1HA GLY 662 1HA GLY 662 1.647 -3.949 8.212 560 2HA GLY 662 2HA GLY 662 0.253 -3.389 9.123 561 H GLY 663 H GLY 663 1.550 -0.589 8.375 562 1HA GLY 663 1HA GLY 663 3.739 -0.597 10.308 563 2HA GLY 663 2HA GLY 663 2.333 0.383 10.696 564 H TYR 664 H TYR 664 4.424 -0.202 7.854 565 HA TYR 664 HA TYR 664 4.902 2.676 7.680 566 1HB TYR 664 1HB TYR 664 6.189 0.456 6.083 567 2HB TYR 664 2HB TYR 664 6.730 2.128 6.199 568 HD1 TYR 664 HD1 TYR 664 6.441 -1.067 8.016 569 HD2 TYR 664 HD2 TYR 664 8.034 2.877 8.058 570 HE1 TYR 664 HE1 TYR 664 7.875 -1.673 9.919 571 HE2 TYR 664 HE2 TYR 664 9.473 2.282 9.960 572 HH TYR 664 HH TYR 664 10.084 0.699 11.381 573 H THR 665 H THR 665 4.362 3.918 5.932 574 HA THR 665 HA THR 665 2.136 3.085 4.359 575 HB THR 665 HB THR 665 2.162 5.270 3.405 576 HG1 THR 665 HG1 THR 665 4.008 6.642 3.677 577 1HG2 THR 665 1HG2 THR 665 1.519 5.183 5.775 578 2HG2 THR 665 2HG2 THR 665 3.194 5.486 6.237 579 3HG2 THR 665 3HG2 THR 665 2.283 6.720 5.367 580 H LEU 666 H LEU 666 2.189 3.535 1.886 581 HA LEU 666 HA LEU 666 3.912 1.666 0.678 582 1HB LEU 666 1HB LEU 666 2.316 3.905 -0.575 583 2HB LEU 666 2HB LEU 666 3.140 2.657 -1.487 584 HG LEU 666 HG LEU 666 0.867 2.020 -1.425 585 1HD1 LEU 666 1HD1 LEU 666 2.829 0.411 -0.319 586 2HD1 LEU 666 2HD1 LEU 666 1.488 0.287 0.822 587 3HD1 LEU 666 3HD1 LEU 666 1.240 -0.109 -0.880 588 1HD2 LEU 666 1HD2 LEU 666 1.031 2.778 1.470 589 2HD2 LEU 666 2HD2 LEU 666 -0.065 3.382 0.228 590 3HD2 LEU 666 3HD2 LEU 666 -0.262 1.745 0.856 591 H LYS 667 H LYS 667 4.150 5.076 1.257 592 HA LYS 667 HA LYS 667 6.248 5.690 -0.516 593 1HB LYS 667 1HB LYS 667 4.790 7.348 0.698 594 2HB LYS 667 2HB LYS 667 5.706 6.993 2.157 595 1HG LYS 667 1HG LYS 667 7.153 8.558 1.575 596 2HG LYS 667 2HG LYS 667 7.601 7.582 0.175 597 1HD LYS 667 1HD LYS 667 5.186 8.836 -0.503 598 2HD LYS 667 2HD LYS 667 6.171 10.075 0.279 599 1HE LYS 667 1HE LYS 667 7.300 8.295 -1.856 600 2HE LYS 667 2HE LYS 667 6.399 9.756 -2.263 601 1HZ LYS 667 1HZ LYS 667 8.120 10.693 -0.451 602 2HZ LYS 667 2HZ LYS 667 9.058 9.472 -1.151 603 3HZ LYS 667 3HZ LYS 667 8.413 10.702 -2.116 604 H VAL 668 H VAL 668 6.137 4.497 2.795 605 HA VAL 668 HA VAL 668 8.988 4.544 3.144 606 HB VAL 668 HB VAL 668 7.184 2.876 4.853 607 1HG1 VAL 668 1HG1 VAL 668 9.709 3.063 5.119 608 2HG1 VAL 668 2HG1 VAL 668 9.418 4.714 5.667 609 3HG1 VAL 668 3HG1 VAL 668 8.732 3.355 6.558 610 1HG2 VAL 668 1HG2 VAL 668 7.290 5.881 4.794 611 2HG2 VAL 668 2HG2 VAL 668 5.873 4.836 4.707 612 3HG2 VAL 668 3HG2 VAL 668 6.778 4.972 6.215 613 H LEU 669 H LEU 669 6.550 2.145 2.265 614 HA LEU 669 HA LEU 669 8.233 -0.125 2.426 615 1HB LEU 669 1HB LEU 669 5.600 0.506 1.231 616 2HB LEU 669 2HB LEU 669 6.469 -0.834 0.503 617 HG LEU 669 HG LEU 669 6.604 -1.916 2.732 618 1HD1 LEU 669 1HD1 LEU 669 5.885 0.620 3.661 619 2HD1 LEU 669 2HD1 LEU 669 4.502 -0.422 3.992 620 3HD1 LEU 669 3HD1 LEU 669 6.097 -0.853 4.609 621 1HD2 LEU 669 1HD2 LEU 669 4.467 -1.781 0.987 622 2HD2 LEU 669 2HD2 LEU 669 4.699 -2.974 2.266 623 3HD2 LEU 669 3HD2 LEU 669 3.733 -1.529 2.570 624 H MET 670 H MET 670 7.635 2.301 -0.014 625 HA MET 670 HA MET 670 9.137 0.889 -2.037 626 1HB MET 670 1HB MET 670 8.537 2.570 -3.508 627 2HB MET 670 2HB MET 670 7.191 2.588 -2.380 628 1HG MET 670 1HG MET 670 7.819 4.592 -1.450 629 2HG MET 670 2HG MET 670 9.507 4.404 -1.923 630 1HE MET 670 1HE MET 670 5.978 4.374 -3.689 631 2HE MET 670 2HE MET 670 6.412 5.013 -5.275 632 3HE MET 670 3HE MET 670 7.051 3.456 -4.748 633 H GLU 671 H GLU 671 9.857 2.655 0.665 634 HA GLU 671 HA GLU 671 12.427 3.626 -0.356 635 1HB GLU 671 1HB GLU 671 10.624 4.886 1.227 636 2HB GLU 671 2HB GLU 671 11.658 4.160 2.450 637 1HG GLU 671 1HG GLU 671 13.582 5.200 1.027 638 2HG GLU 671 2HG GLU 671 12.296 6.242 0.419 639 H ASN 672 H ASN 672 10.977 1.209 1.642 640 HA ASN 672 HA ASN 672 13.475 0.521 2.962 641 1HB ASN 672 1HB ASN 672 10.668 -0.577 3.164 642 2HB ASN 672 2HB ASN 672 12.036 -1.282 4.020 643 2HD2 ASN 672 2HD2 ASN 672 9.474 0.434 4.620 644 1HD2 ASN 672 1HD2 ASN 672 10.060 1.550 5.800 645 H LYS 673 H LYS 673 11.070 -1.655 1.540 646 HA LYS 673 HA LYS 673 12.746 -2.606 -0.536 647 1HB LYS 673 1HB LYS 673 13.023 -4.941 0.468 648 2HB LYS 673 2HB LYS 673 14.089 -3.674 1.058 649 1HG LYS 673 1HG LYS 673 12.596 -3.390 3.012 650 2HG LYS 673 2HG LYS 673 11.640 -4.757 2.436 651 1HD LYS 673 1HD LYS 673 14.589 -5.064 2.814 652 2HD LYS 673 2HD LYS 673 13.517 -5.126 4.214 653 1HE LYS 673 1HE LYS 673 12.185 -6.866 2.941 654 2HE LYS 673 2HE LYS 673 13.529 -6.923 1.802 655 1HZ LYS 673 1HZ LYS 673 14.381 -7.157 4.526 656 2HZ LYS 673 2HZ LYS 673 13.309 -8.387 4.083 657 3HZ LYS 673 3HZ LYS 673 14.730 -8.146 3.200 658 H PHE 674 H PHE 674 9.827 -2.101 0.606 659 HA PHE 674 HA PHE 674 8.627 -4.419 -0.755 660 1HB PHE 674 1HB PHE 674 7.127 -2.677 1.179 661 2HB PHE 674 2HB PHE 674 6.777 -4.329 0.681 662 HD1 PHE 674 HD1 PHE 674 8.516 -2.221 3.030 663 HD2 PHE 674 HD2 PHE 674 8.202 -6.188 1.523 664 HE1 PHE 674 HE1 PHE 674 9.696 -3.065 5.017 665 HE2 PHE 674 HE2 PHE 674 9.379 -7.039 3.508 666 HZ PHE 674 HZ PHE 674 10.127 -5.478 5.258 667 H LEU 675 H LEU 675 9.600 -2.269 -2.184 668 HA LEU 675 HA LEU 675 8.009 -0.141 -2.794 669 1HB LEU 675 1HB LEU 675 9.667 -1.889 -4.600 670 2HB LEU 675 2HB LEU 675 8.892 -0.422 -5.165 671 HG LEU 675 HG LEU 675 10.189 0.751 -3.264 672 1HD1 LEU 675 1HD1 LEU 675 11.411 -1.959 -3.286 673 2HD1 LEU 675 2HD1 LEU 675 12.457 -0.560 -3.044 674 3HD1 LEU 675 3HD1 LEU 675 11.119 -0.861 -1.936 675 1HD2 LEU 675 1HD2 LEU 675 11.506 -0.368 -5.726 676 2HD2 LEU 675 2HD2 LEU 675 10.702 1.192 -5.546 677 3HD2 LEU 675 3HD2 LEU 675 12.225 0.882 -4.711 678 HA PRO 676 HA PRO 676 4.353 -1.839 -4.622 679 1HB PRO 676 1HB PRO 676 3.634 0.591 -5.894 680 2HB PRO 676 2HB PRO 676 3.141 0.035 -4.296 681 1HG PRO 676 1HG PRO 676 4.783 2.228 -4.829 682 2HG PRO 676 2HG PRO 676 4.598 1.426 -3.261 683 1HD PRO 676 1HD PRO 676 6.758 1.139 -5.297 684 2HD PRO 676 2HD PRO 676 6.856 1.070 -3.524 685 H GLU 677 H GLU 677 5.774 0.511 -6.924 686 HA GLU 677 HA GLU 677 5.089 -1.329 -9.087 687 1HB GLU 677 1HB GLU 677 6.204 1.222 -9.929 688 2HB GLU 677 2HB GLU 677 4.686 0.455 -10.372 689 1HG GLU 677 1HG GLU 677 3.507 1.688 -8.932 690 2HG GLU 677 2HG GLU 677 4.712 1.524 -7.655 691 HA PRO 678 HA PRO 678 9.713 -0.646 -10.057 692 1HB PRO 678 1HB PRO 678 11.279 0.805 -8.421 693 2HB PRO 678 2HB PRO 678 10.283 1.557 -9.673 694 1HG PRO 678 1HG PRO 678 9.772 1.316 -6.735 695 2HG PRO 678 2HG PRO 678 9.504 2.700 -7.809 696 1HD PRO 678 1HD PRO 678 7.526 0.984 -7.007 697 2HD PRO 678 2HD PRO 678 7.478 1.907 -8.521 698 HA PRO 679 HA PRO 679 11.235 -3.759 -7.275 699 1HB PRO 679 1HB PRO 679 13.512 -4.427 -8.492 700 2HB PRO 679 2HB PRO 679 11.950 -4.697 -9.275 701 1HG PRO 679 1HG PRO 679 13.978 -2.570 -9.771 702 2HG PRO 679 2HG PRO 679 12.924 -3.408 -10.921 703 1HD PRO 679 1HD PRO 679 12.477 -0.870 -9.815 704 2HD PRO 679 2HD PRO 679 11.281 -1.864 -10.669 705 H SER 680 H SER 680 13.468 -4.431 -6.236 706 HA SER 680 HA SER 680 15.007 -2.085 -5.409 707 1HB SER 680 1HB SER 680 13.587 -2.048 -3.585 708 2HB SER 680 2HB SER 680 13.315 -3.790 -3.627 709 HG SER 680 HG SER 680 14.854 -3.974 -2.223 710 H THR 681 H THR 681 17.104 -2.514 -4.781 711 HA THR 681 HA THR 681 18.085 -5.139 -4.277 712 HB THR 681 HB THR 681 19.669 -4.572 -6.502 713 HG1 THR 681 HG1 THR 681 17.330 -4.763 -7.805 714 1HG2 THR 681 1HG2 THR 681 17.835 -6.635 -5.584 715 2HG2 THR 681 2HG2 THR 681 17.885 -6.513 -7.343 716 3HG2 THR 681 3HG2 THR 681 19.373 -6.789 -6.436 717 H ARG 682 H ARG 682 18.187 -2.097 -3.626 718 HA ARG 682 HA ARG 682 20.901 -2.145 -2.677 719 1HB ARG 682 1HB ARG 682 20.332 -0.869 -5.166 720 2HB ARG 682 2HB ARG 682 20.717 0.374 -3.983 721 1HG ARG 682 1HG ARG 682 22.614 -1.682 -3.650 722 2HG ARG 682 2HG ARG 682 22.472 -1.380 -5.383 723 1HD ARG 682 1HD ARG 682 22.516 1.152 -4.419 724 2HD ARG 682 2HD ARG 682 23.536 0.331 -3.239 725 HE ARG 682 HE ARG 682 25.150 0.091 -4.848 726 1HH1 ARG 682 1HH1 ARG 682 22.142 0.977 -6.367 727 2HH1 ARG 682 2HH1 ARG 682 22.857 1.242 -7.922 728 1HH2 ARG 682 1HH2 ARG 682 26.100 0.438 -6.892 729 2HH2 ARG 682 2HH2 ARG 682 25.107 0.934 -8.221 730 H LYS 683 H LYS 683 17.779 -1.441 -2.257 731 HA LYS 683 HA LYS 683 16.565 -0.198 -0.788 732 1HB LYS 683 1HB LYS 683 19.090 -0.790 0.508 733 2HB LYS 683 2HB LYS 683 18.423 0.731 1.085 734 1HG LYS 683 1HG LYS 683 17.404 -0.669 2.542 735 2HG LYS 683 2HG LYS 683 16.216 -0.737 1.238 736 1HD LYS 683 1HD LYS 683 16.535 -2.976 1.709 737 2HD LYS 683 2HD LYS 683 17.673 -2.721 0.383 738 1HE LYS 683 1HE LYS 683 18.668 -4.015 2.218 739 2HE LYS 683 2HE LYS 683 19.499 -2.480 1.962 740 1HZ LYS 683 1HZ LYS 683 17.599 -1.872 3.801 741 2HZ LYS 683 2HZ LYS 683 18.078 -3.426 4.268 742 3HZ LYS 683 3HZ LYS 683 19.226 -2.189 4.139 743 H LYS 684 H LYS 684 16.867 1.248 -2.888 744 HA LYS 684 HA LYS 684 18.376 3.595 -2.788 745 1HB LYS 684 1HB LYS 684 15.851 2.824 -4.216 746 2HB LYS 684 2HB LYS 684 16.466 4.467 -4.326 747 1HG LYS 684 1HG LYS 684 17.737 3.787 -6.007 748 2HG LYS 684 2HG LYS 684 18.669 2.846 -4.840 749 1HD LYS 684 1HD LYS 684 16.631 1.156 -5.221 750 2HD LYS 684 2HD LYS 684 16.615 1.971 -6.786 751 1HE LYS 684 1HE LYS 684 18.948 1.413 -7.131 752 2HE LYS 684 2HE LYS 684 19.031 0.674 -5.532 753 1HZ LYS 684 1HZ LYS 684 17.306 -0.260 -7.763 754 2HZ LYS 684 2HZ LYS 684 18.763 -0.975 -7.289 755 3HZ LYS 684 3HZ LYS 684 17.438 -0.983 -6.238 756 H VAL 685 H VAL 685 18.292 5.248 -1.448 757 HA VAL 685 HA VAL 685 17.550 6.869 -0.039 758 HB VAL 685 HB VAL 685 14.775 6.237 -1.048 759 1HG1 VAL 685 1HG1 VAL 685 15.972 8.614 0.356 760 2HG1 VAL 685 2HG1 VAL 685 14.426 8.672 -0.490 761 3HG1 VAL 685 3HG1 VAL 685 14.636 7.594 0.889 762 1HG2 VAL 685 1HG2 VAL 685 16.676 6.829 -2.747 763 2HG2 VAL 685 2HG2 VAL 685 15.097 7.604 -2.873 764 3HG2 VAL 685 3HG2 VAL 685 16.444 8.464 -2.127 765 H THR 686 H THR 686 17.313 6.814 2.101 766 HA THR 686 HA THR 686 15.445 4.926 3.317 767 HB THR 686 HB THR 686 17.396 4.461 5.028 768 HG1 THR 686 HG1 THR 686 19.391 4.249 3.757 769 1HG2 THR 686 1HG2 THR 686 16.253 3.063 2.883 770 2HG2 THR 686 2HG2 THR 686 17.992 2.802 2.751 771 3HG2 THR 686 3HG2 THR 686 17.151 2.388 4.244 772 H ILE 687 H ILE 687 14.747 5.501 5.371 773 HA ILE 687 HA ILE 687 14.157 6.905 7.057 774 HB ILE 687 HB ILE 687 16.939 8.045 6.765 775 1HG1 ILE 687 1HG1 ILE 687 16.917 6.318 8.935 776 2HG1 ILE 687 2HG1 ILE 687 15.985 5.454 7.716 777 1HG2 ILE 687 1HG2 ILE 687 15.240 9.314 8.134 778 2HG2 ILE 687 2HG2 ILE 687 15.213 7.930 9.226 779 3HG2 ILE 687 3HG2 ILE 687 16.708 8.834 8.984 780 1HD1 ILE 687 1HD1 ILE 687 18.020 6.151 6.186 781 2HD1 ILE 687 2HD1 ILE 687 18.850 6.206 7.741 782 3HD1 ILE 687 3HD1 ILE 687 18.070 4.716 7.210 783 H LYS 688 H LYS 688 12.579 8.156 6.200 784 HA LYS 688 HA LYS 688 12.896 10.166 4.281 785 1HB LYS 688 1HB LYS 688 10.670 10.959 5.032 786 2HB LYS 688 2HB LYS 688 10.721 9.223 4.754 787 1HG LYS 688 1HG LYS 688 10.551 8.721 6.995 788 2HG LYS 688 2HG LYS 688 11.177 10.291 7.502 789 1HD LYS 688 1HD LYS 688 9.013 10.751 7.922 790 2HD LYS 688 2HD LYS 688 8.929 11.034 6.182 791 1HE LYS 688 1HE LYS 688 8.632 8.242 6.684 792 2HE LYS 688 2HE LYS 688 7.515 9.130 7.721 793 1HZ LYS 688 1HZ LYS 688 7.681 9.920 4.910 794 2HZ LYS 688 2HZ LYS 688 6.897 8.464 5.265 795 3HZ LYS 688 3HZ LYS 688 6.349 9.909 5.953 No H/Q in entry = 795 Start of MODEL 8 1 H1 MET 594 H1 MET 594 10.381 -4.010 12.410 2 H2 MET 594 H2 MET 594 11.950 -3.982 11.778 3 H3 MET 594 H3 MET 594 11.468 -2.809 12.896 4 HA MET 594 HA MET 594 9.926 -1.861 11.357 5 1HB MET 594 1HB MET 594 12.163 -2.047 9.500 6 2HB MET 594 2HB MET 594 11.560 -0.656 10.389 7 1HG MET 594 1HG MET 594 13.550 -0.757 11.403 8 2HG MET 594 2HG MET 594 12.780 -2.008 12.376 9 1HE MET 594 1HE MET 594 14.181 -3.450 13.136 10 2HE MET 594 2HE MET 594 13.745 -4.828 12.127 11 3HE MET 594 3HE MET 594 15.441 -4.387 12.334 12 H ASP 595 H ASP 595 11.945 -3.729 9.138 13 HA ASP 595 HA ASP 595 9.577 -4.386 7.572 14 1HB ASP 595 1HB ASP 595 12.187 -5.353 6.616 15 2HB ASP 595 2HB ASP 595 10.948 -4.432 5.771 16 H GLU 596 H GLU 596 10.449 -6.716 6.328 17 HA GLU 596 HA GLU 596 10.618 -8.981 6.510 18 1HB GLU 596 1HB GLU 596 12.315 -8.246 8.379 19 2HB GLU 596 2HB GLU 596 11.061 -8.853 9.458 20 1HG GLU 596 1HG GLU 596 11.306 -11.030 8.727 21 2HG GLU 596 2HG GLU 596 12.033 -10.547 7.196 22 H ASN 597 H ASN 597 9.270 -7.859 9.579 23 HA ASN 597 HA ASN 597 7.474 -9.839 10.085 24 1HB ASN 597 1HB ASN 597 8.113 -7.533 11.279 25 2HB ASN 597 2HB ASN 597 6.535 -7.080 10.632 26 2HD2 ASN 597 2HD2 ASN 597 7.980 -9.935 12.177 27 1HD2 ASN 597 1HD2 ASN 597 6.709 -10.167 13.326 28 H ILE 598 H ILE 598 7.204 -7.377 7.641 29 HA ILE 598 HA ILE 598 4.444 -8.245 7.088 30 HB ILE 598 HB ILE 598 5.753 -5.787 5.939 31 1HG1 ILE 598 1HG1 ILE 598 5.811 -5.416 8.298 32 2HG1 ILE 598 2HG1 ILE 598 4.415 -4.538 7.686 33 1HG2 ILE 598 1HG2 ILE 598 3.800 -6.613 4.752 34 2HG2 ILE 598 2HG2 ILE 598 2.868 -6.607 6.249 35 3HG2 ILE 598 3HG2 ILE 598 3.435 -5.087 5.559 36 1HD1 ILE 598 1HD1 ILE 598 3.035 -6.551 8.374 37 2HD1 ILE 598 2HD1 ILE 598 4.466 -7.094 9.249 38 3HD1 ILE 598 3HD1 ILE 598 3.705 -5.560 9.670 39 H ASN 599 H ASN 599 5.590 -10.184 6.163 40 HA ASN 599 HA ASN 599 7.205 -10.155 3.919 41 1HB ASN 599 1HB ASN 599 5.322 -12.096 5.133 42 2HB ASN 599 2HB ASN 599 5.741 -12.375 3.446 43 2HD2 ASN 599 2HD2 ASN 599 7.414 -13.634 3.144 44 1HD2 ASN 599 1HD2 ASN 599 8.743 -13.852 4.224 45 H PHE 600 H PHE 600 6.905 -9.330 1.982 46 HA PHE 600 HA PHE 600 4.238 -8.621 1.097 47 1HB PHE 600 1HB PHE 600 5.298 -7.254 -0.521 48 2HB PHE 600 2HB PHE 600 6.267 -7.111 0.945 49 HD1 PHE 600 HD1 PHE 600 6.176 -8.289 -2.496 50 HD2 PHE 600 HD2 PHE 600 8.471 -8.152 1.085 51 HE1 PHE 600 HE1 PHE 600 8.182 -8.940 -3.762 52 HE2 PHE 600 HE2 PHE 600 10.481 -8.802 -0.175 53 HZ PHE 600 HZ PHE 600 10.339 -9.196 -2.602 54 H LYS 601 H LYS 601 6.051 -11.354 0.903 55 HA LYS 601 HA LYS 601 5.466 -12.020 -1.853 56 1HB LYS 601 1HB LYS 601 6.723 -13.984 -1.511 57 2HB LYS 601 2HB LYS 601 7.554 -12.741 -0.584 58 1HG LYS 601 1HG LYS 601 7.476 -14.128 1.143 59 2HG LYS 601 2HG LYS 601 5.738 -13.825 1.200 60 1HD LYS 601 1HD LYS 601 6.356 -15.759 -0.833 61 2HD LYS 601 2HD LYS 601 7.030 -16.265 0.718 62 1HE LYS 601 1HE LYS 601 4.880 -16.114 1.767 63 2HE LYS 601 2HE LYS 601 4.174 -15.381 0.327 64 1HZ LYS 601 1HZ LYS 601 5.333 -18.112 0.373 65 2HZ LYS 601 2HZ LYS 601 3.690 -17.792 0.622 66 3HZ LYS 601 3HZ LYS 601 4.412 -17.408 -0.858 67 H GLN 602 H GLN 602 3.681 -11.933 0.906 68 HA GLN 602 HA GLN 602 2.284 -14.410 0.763 69 1HB GLN 602 1HB GLN 602 1.154 -11.882 1.939 70 2HB GLN 602 2HB GLN 602 0.853 -13.544 2.426 71 1HG GLN 602 1HG GLN 602 3.500 -12.148 2.729 72 2HG GLN 602 2HG GLN 602 2.276 -12.248 3.994 73 2HE2 GLN 602 2HE2 GLN 602 4.965 -13.692 2.642 74 1HE2 GLN 602 1HE2 GLN 602 4.864 -15.229 3.427 75 H SER 603 H SER 603 -0.397 -13.604 0.873 76 HA SER 603 HA SER 603 -0.855 -12.744 -1.908 77 1HB SER 603 1HB SER 603 -2.904 -14.376 -0.490 78 2HB SER 603 2HB SER 603 -2.454 -14.368 -2.194 79 HG SER 603 HG SER 603 -1.631 -16.233 -1.443 80 H GLU 604 H GLU 604 -1.519 -12.182 1.401 81 HA GLU 604 HA GLU 604 -3.333 -10.003 0.659 82 1HB GLU 604 1HB GLU 604 -3.825 -11.913 2.952 83 2HB GLU 604 2HB GLU 604 -4.794 -10.499 2.566 84 1HG GLU 604 1HG GLU 604 -5.661 -11.474 0.631 85 2HG GLU 604 2HG GLU 604 -4.408 -12.713 0.587 86 H LEU 605 H LEU 605 -2.186 -8.260 1.196 87 HA LEU 605 HA LEU 605 -0.644 -8.266 3.689 88 1HB LEU 605 1HB LEU 605 0.136 -7.480 1.241 89 2HB LEU 605 2HB LEU 605 -0.517 -5.962 1.828 90 HG LEU 605 HG LEU 605 0.992 -6.208 3.839 91 1HD1 LEU 605 1HD1 LEU 605 1.342 -8.662 3.516 92 2HD1 LEU 605 2HD1 LEU 605 2.372 -8.273 2.137 93 3HD1 LEU 605 3HD1 LEU 605 2.822 -7.731 3.754 94 1HD2 LEU 605 1HD2 LEU 605 1.404 -4.926 1.586 95 2HD2 LEU 605 2HD2 LEU 605 2.686 -5.076 2.789 96 3HD2 LEU 605 3HD2 LEU 605 2.671 -6.136 1.379 97 HA PRO 606 HA PRO 606 -3.859 -5.799 5.508 98 1HB PRO 606 1HB PRO 606 -2.570 -5.066 7.772 99 2HB PRO 606 2HB PRO 606 -3.197 -6.699 7.517 100 1HG PRO 606 1HG PRO 606 -0.402 -5.672 7.205 101 2HG PRO 606 2HG PRO 606 -0.963 -7.184 7.944 102 1HD PRO 606 1HD PRO 606 0.039 -7.055 5.421 103 2HD PRO 606 2HD PRO 606 -1.187 -8.240 5.911 104 H VAL 607 H VAL 607 -4.434 -3.791 5.017 105 HA VAL 607 HA VAL 607 -2.357 -1.704 4.901 106 HB VAL 607 HB VAL 607 -4.551 -0.782 3.425 107 1HG1 VAL 607 1HG1 VAL 607 -1.817 -0.986 3.167 108 2HG1 VAL 607 2HG1 VAL 607 -2.428 -1.925 1.804 109 3HG1 VAL 607 3HG1 VAL 607 -2.919 -0.244 2.008 110 1HG2 VAL 607 1HG2 VAL 607 -5.422 -3.061 3.301 111 2HG2 VAL 607 2HG2 VAL 607 -4.885 -2.499 1.717 112 3HG2 VAL 607 3HG2 VAL 607 -3.884 -3.620 2.642 113 H THR 608 H THR 608 -2.961 0.406 5.604 114 HA THR 608 HA THR 608 -5.496 0.652 7.032 115 HB THR 608 HB THR 608 -4.311 1.635 9.008 116 HG1 THR 608 HG1 THR 608 -2.030 0.220 8.092 117 1HG2 THR 608 1HG2 THR 608 -5.224 -0.743 8.830 118 2HG2 THR 608 2HG2 THR 608 -3.547 -1.247 8.624 119 3HG2 THR 608 3HG2 THR 608 -4.047 -0.429 10.105 120 H CYS 609 H CYS 609 -6.276 2.334 5.902 121 HA CYS 609 HA CYS 609 -4.561 4.710 5.622 122 1HB CYS 609 1HB CYS 609 -5.266 3.899 3.475 123 2HB CYS 609 2HB CYS 609 -6.938 3.790 4.009 124 HG CYS 609 HG CYS 609 -5.254 6.411 2.814 125 H GLY 610 H GLY 610 -4.953 6.052 7.266 126 1HA GLY 610 1HA GLY 610 -7.400 7.394 7.547 127 2HA GLY 610 2HA GLY 610 -6.082 7.438 8.708 128 H GLU 611 H GLU 611 -5.922 4.913 9.618 129 HA GLU 611 HA GLU 611 -6.771 3.564 11.241 130 1HB GLU 611 1HB GLU 611 -9.162 5.412 11.247 131 2HB GLU 611 2HB GLU 611 -8.747 4.237 12.484 132 1HG GLU 611 1HG GLU 611 -7.026 5.500 13.315 133 2HG GLU 611 2HG GLU 611 -6.799 6.368 11.800 134 H VAL 612 H VAL 612 -7.994 3.967 8.248 135 HA VAL 612 HA VAL 612 -10.172 2.039 8.469 136 HB VAL 612 HB VAL 612 -9.108 3.559 6.083 137 1HG1 VAL 612 1HG1 VAL 612 -10.616 1.212 6.090 138 2HG1 VAL 612 2HG1 VAL 612 -11.784 2.504 5.808 139 3HG1 VAL 612 3HG1 VAL 612 -10.391 2.325 4.741 140 1HG2 VAL 612 1HG2 VAL 612 -10.294 4.818 7.959 141 2HG2 VAL 612 2HG2 VAL 612 -10.921 5.027 6.324 142 3HG2 VAL 612 3HG2 VAL 612 -11.750 3.958 7.456 143 H LYS 613 H LYS 613 -9.285 0.049 8.823 144 HA LYS 613 HA LYS 613 -6.947 -0.896 7.507 145 1HB LYS 613 1HB LYS 613 -8.549 -1.729 9.645 146 2HB LYS 613 2HB LYS 613 -8.671 -3.017 8.455 147 1HG LYS 613 1HG LYS 613 -6.138 -2.973 8.356 148 2HG LYS 613 2HG LYS 613 -6.207 -1.956 9.796 149 1HD LYS 613 1HD LYS 613 -6.196 -3.878 10.938 150 2HD LYS 613 2HD LYS 613 -7.887 -4.014 10.455 151 1HE LYS 613 1HE LYS 613 -7.341 -5.417 8.622 152 2HE LYS 613 2HE LYS 613 -5.619 -5.074 8.786 153 1HZ LYS 613 1HZ LYS 613 -6.570 -6.123 11.210 154 2HZ LYS 613 2HZ LYS 613 -7.076 -7.142 9.959 155 3HZ LYS 613 3HZ LYS 613 -5.432 -6.789 10.150 156 H GLY 614 H GLY 614 -7.001 -3.016 6.266 157 1HA GLY 614 1HA GLY 614 -8.302 -2.633 3.820 158 2HA GLY 614 2HA GLY 614 -9.255 -3.774 4.755 159 H THR 615 H THR 615 -8.757 -5.263 3.010 160 HA THR 615 HA THR 615 -6.200 -6.624 3.492 161 HB THR 615 HB THR 615 -8.011 -8.099 1.794 162 HG1 THR 615 HG1 THR 615 -9.050 -7.704 4.389 163 1HG2 THR 615 1HG2 THR 615 -6.156 -8.537 3.880 164 2HG2 THR 615 2HG2 THR 615 -7.693 -9.232 4.396 165 3HG2 THR 615 3HG2 THR 615 -6.962 -9.739 2.873 166 H LEU 616 H LEU 616 -4.646 -6.260 2.069 167 HA LEU 616 HA LEU 616 -5.320 -5.341 -0.618 168 1HB LEU 616 1HB LEU 616 -3.707 -4.021 0.608 169 2HB LEU 616 2HB LEU 616 -2.702 -5.432 0.872 170 HG LEU 616 HG LEU 616 -3.238 -4.819 -1.955 171 1HD1 LEU 616 1HD1 LEU 616 -2.560 -2.682 -0.254 172 2HD1 LEU 616 2HD1 LEU 616 -1.093 -3.125 -1.127 173 3HD1 LEU 616 3HD1 LEU 616 -2.558 -2.712 -2.017 174 1HD2 LEU 616 1HD2 LEU 616 -1.408 -6.284 -0.420 175 2HD2 LEU 616 2HD2 LEU 616 -1.419 -6.071 -2.171 176 3HD2 LEU 616 3HD2 LEU 616 -0.486 -4.971 -1.156 177 H TYR 617 H TYR 617 -5.058 -6.520 -2.408 178 HA TYR 617 HA TYR 617 -4.086 -9.257 -2.122 179 1HB TYR 617 1HB TYR 617 -5.764 -7.824 -4.156 180 2HB TYR 617 2HB TYR 617 -4.977 -9.341 -4.579 181 HD1 TYR 617 HD1 TYR 617 -7.230 -7.833 -2.025 182 HD2 TYR 617 HD2 TYR 617 -6.023 -11.361 -4.071 183 HE1 TYR 617 HE1 TYR 617 -9.076 -9.066 -0.970 184 HE2 TYR 617 HE2 TYR 617 -7.868 -12.606 -3.023 185 HH TYR 617 HH TYR 617 -9.419 -11.743 -0.414 186 H LYS 618 H LYS 618 -2.052 -9.716 -2.601 187 HA LYS 618 HA LYS 618 -0.282 -7.890 -3.827 188 1HB LYS 618 1HB LYS 618 0.201 -10.854 -3.601 189 2HB LYS 618 2HB LYS 618 1.386 -9.556 -3.587 190 1HG LYS 618 1HG LYS 618 -0.626 -10.149 -1.426 191 2HG LYS 618 2HG LYS 618 1.102 -10.495 -1.370 192 1HD LYS 618 1HD LYS 618 -0.023 -7.720 -1.720 193 2HD LYS 618 2HD LYS 618 0.365 -8.418 -0.145 194 1HE LYS 618 1HE LYS 618 2.673 -8.617 -0.723 195 2HE LYS 618 2HE LYS 618 2.347 -8.185 -2.401 196 1HZ LYS 618 1HZ LYS 618 1.381 -6.145 -0.729 197 2HZ LYS 618 2HZ LYS 618 2.978 -6.485 -0.287 198 3HZ LYS 618 3HZ LYS 618 2.613 -6.065 -1.884 199 H GLU 619 H GLU 619 -2.207 -10.520 -5.082 200 HA GLU 619 HA GLU 619 -0.916 -10.991 -7.499 201 1HB GLU 619 1HB GLU 619 -3.838 -11.056 -7.696 202 2HB GLU 619 2HB GLU 619 -2.661 -12.333 -7.957 203 1HG GLU 619 1HG GLU 619 -2.574 -12.040 -5.250 204 2HG GLU 619 2HG GLU 619 -4.269 -11.710 -5.604 205 H ARG 620 H ARG 620 -2.668 -8.215 -6.500 206 HA ARG 620 HA ARG 620 -2.674 -7.224 -9.277 207 1HB ARG 620 1HB ARG 620 -4.687 -6.984 -7.098 208 2HB ARG 620 2HB ARG 620 -4.487 -5.612 -8.180 209 1HG ARG 620 1HG ARG 620 -5.311 -6.736 -9.988 210 2HG ARG 620 2HG ARG 620 -4.823 -8.315 -9.368 211 1HD ARG 620 1HD ARG 620 -6.749 -8.603 -8.243 212 2HD ARG 620 2HD ARG 620 -6.809 -6.919 -7.724 213 HE ARG 620 HE ARG 620 -7.871 -6.364 -9.781 214 1HH1 ARG 620 1HH1 ARG 620 -7.439 -9.788 -9.279 215 2HH1 ARG 620 2HH1 ARG 620 -8.641 -10.238 -10.444 216 1HH2 ARG 620 1HH2 ARG 620 -9.454 -6.951 -11.311 217 2HH2 ARG 620 2HH2 ARG 620 -9.785 -8.627 -11.597 218 H PHE 621 H PHE 621 -1.817 -6.619 -5.973 219 HA PHE 621 HA PHE 621 -1.325 -3.854 -6.134 220 1HB PHE 621 1HB PHE 621 -1.513 -5.132 -4.011 221 2HB PHE 621 2HB PHE 621 0.056 -5.859 -4.344 222 HD1 PHE 621 HD1 PHE 621 -1.157 -2.351 -4.695 223 HD2 PHE 621 HD2 PHE 621 1.546 -5.033 -2.794 224 HE1 PHE 621 HE1 PHE 621 -0.049 -0.450 -3.592 225 HE2 PHE 621 HE2 PHE 621 2.657 -3.139 -1.689 226 HZ PHE 621 HZ PHE 621 1.865 -0.838 -2.102 227 H LYS 622 H LYS 622 0.444 -6.528 -7.373 228 HA LYS 622 HA LYS 622 3.058 -5.601 -7.319 229 1HB LYS 622 1HB LYS 622 1.656 -7.233 -9.439 230 2HB LYS 622 2HB LYS 622 3.397 -6.993 -9.368 231 1HG LYS 622 1HG LYS 622 1.729 -8.296 -7.229 232 2HG LYS 622 2HG LYS 622 2.719 -9.143 -8.420 233 1HD LYS 622 1HD LYS 622 4.340 -7.179 -7.162 234 2HD LYS 622 2HD LYS 622 3.493 -8.075 -5.898 235 1HE LYS 622 1HE LYS 622 4.450 -9.884 -7.911 236 2HE LYS 622 2HE LYS 622 5.772 -8.865 -7.344 237 1HZ LYS 622 1HZ LYS 622 4.740 -9.497 -5.026 238 2HZ LYS 622 2HZ LYS 622 4.196 -10.848 -5.884 239 3HZ LYS 622 3HZ LYS 622 5.852 -10.510 -5.800 240 H GLN 623 H GLN 623 0.402 -4.274 -8.982 241 HA GLN 623 HA GLN 623 2.146 -2.855 -10.870 242 1HB GLN 623 1HB GLN 623 -0.872 -2.976 -10.749 243 2HB GLN 623 2HB GLN 623 0.074 -2.167 -11.991 244 1HG GLN 623 1HG GLN 623 1.114 -4.438 -12.455 245 2HG GLN 623 2HG GLN 623 -0.182 -5.105 -11.463 246 2HE2 GLN 623 2HE2 GLN 623 -1.991 -5.629 -12.459 247 1HE2 GLN 623 1HE2 GLN 623 -2.490 -5.072 -14.016 248 H GLY 624 H GLY 624 0.374 -2.464 -7.967 249 1HA GLY 624 1HA GLY 624 1.434 0.045 -7.341 250 2HA GLY 624 2HA GLY 624 0.047 -0.688 -6.559 251 H THR 625 H THR 625 -1.518 0.740 -6.449 252 HA THR 625 HA THR 625 -3.260 2.035 -7.161 253 HB THR 625 HB THR 625 -1.394 3.633 -6.657 254 HG1 THR 625 HG1 THR 625 -3.608 4.113 -8.262 255 1HG2 THR 625 1HG2 THR 625 -1.108 3.595 -9.660 256 2HG2 THR 625 2HG2 THR 625 -0.470 4.876 -8.629 257 3HG2 THR 625 3HG2 THR 625 0.129 3.226 -8.460 258 H SER 626 H SER 626 -2.664 -0.089 -9.053 259 HA SER 626 HA SER 626 -3.750 1.205 -11.464 260 1HB SER 626 1HB SER 626 -1.734 -1.054 -11.425 261 2HB SER 626 2HB SER 626 -2.474 -0.359 -12.867 262 HG SER 626 HG SER 626 -0.422 0.544 -12.472 263 H LYS 627 H LYS 627 -4.272 -0.930 -9.020 264 HA LYS 627 HA LYS 627 -6.514 -2.134 -10.403 265 1HB LYS 627 1HB LYS 627 -4.219 -3.751 -9.310 266 2HB LYS 627 2HB LYS 627 -5.829 -4.431 -9.498 267 1HG LYS 627 1HG LYS 627 -5.058 -3.140 -11.927 268 2HG LYS 627 2HG LYS 627 -3.789 -4.251 -11.415 269 1HD LYS 627 1HD LYS 627 -6.075 -5.703 -10.973 270 2HD LYS 627 2HD LYS 627 -6.463 -4.803 -12.443 271 1HE LYS 627 1HE LYS 627 -3.790 -5.784 -12.612 272 2HE LYS 627 2HE LYS 627 -4.867 -7.116 -12.182 273 1HZ LYS 627 1HZ LYS 627 -6.307 -6.231 -14.086 274 2HZ LYS 627 2HZ LYS 627 -4.920 -5.403 -14.585 275 3HZ LYS 627 3HZ LYS 627 -4.908 -7.092 -14.487 276 H LYS 628 H LYS 628 -8.060 -3.080 -8.970 277 HA LYS 628 HA LYS 628 -8.006 -1.864 -6.330 278 1HB LYS 628 1HB LYS 628 -10.258 -3.591 -7.263 279 2HB LYS 628 2HB LYS 628 -10.302 -2.138 -6.276 280 1HG LYS 628 1HG LYS 628 -9.335 -1.650 -8.978 281 2HG LYS 628 2HG LYS 628 -10.972 -2.306 -8.927 282 1HD LYS 628 1HD LYS 628 -10.839 -0.360 -6.904 283 2HD LYS 628 2HD LYS 628 -10.058 0.346 -8.320 284 1HE LYS 628 1HE LYS 628 -12.031 0.681 -9.282 285 2HE LYS 628 2HE LYS 628 -12.421 -1.032 -9.141 286 1HZ LYS 628 1HZ LYS 628 -13.011 -0.438 -6.734 287 2HZ LYS 628 2HZ LYS 628 -13.061 1.162 -7.279 288 3HZ LYS 628 3HZ LYS 628 -14.094 0.006 -7.955 289 H CYS 629 H CYS 629 -6.713 -3.015 -4.969 290 HA CYS 629 HA CYS 629 -7.319 -5.887 -4.691 291 1HB CYS 629 1HB CYS 629 -4.928 -5.982 -3.730 292 2HB CYS 629 2HB CYS 629 -5.111 -5.828 -5.474 293 HG CYS 629 HG CYS 629 -3.915 -3.550 -5.758 294 H ILE 630 H ILE 630 -7.835 -3.013 -3.215 295 HA ILE 630 HA ILE 630 -7.388 -4.046 -0.502 296 HB ILE 630 HB ILE 630 -7.986 -1.260 -1.487 297 1HG1 ILE 630 1HG1 ILE 630 -5.680 -1.957 0.262 298 2HG1 ILE 630 2HG1 ILE 630 -5.614 -2.500 -1.413 299 1HG2 ILE 630 1HG2 ILE 630 -8.228 -2.445 1.220 300 2HG2 ILE 630 2HG2 ILE 630 -7.500 -0.844 1.096 301 3HG2 ILE 630 3HG2 ILE 630 -9.128 -1.124 0.476 302 1HD1 ILE 630 1HD1 ILE 630 -6.057 -0.124 -2.088 303 2HD1 ILE 630 2HD1 ILE 630 -5.824 0.318 -0.397 304 3HD1 ILE 630 3HD1 ILE 630 -4.504 -0.418 -1.306 305 H GLN 631 H GLN 631 -9.015 -5.038 0.451 306 HA GLN 631 HA GLN 631 -11.761 -4.442 -0.382 307 1HB GLN 631 1HB GLN 631 -11.113 -6.783 -0.488 308 2HB GLN 631 2HB GLN 631 -10.613 -6.749 1.197 309 1HG GLN 631 1HG GLN 631 -12.887 -6.420 1.913 310 2HG GLN 631 2HG GLN 631 -13.430 -6.300 0.240 311 2HE2 GLN 631 2HE2 GLN 631 -14.345 -8.135 2.238 312 1HE2 GLN 631 1HE2 GLN 631 -13.999 -9.726 1.663 313 H SER 632 H SER 632 -12.912 -3.091 0.829 314 HA SER 632 HA SER 632 -12.072 -2.405 3.500 315 1HB SER 632 1HB SER 632 -13.792 -0.723 3.429 316 2HB SER 632 2HB SER 632 -12.993 -0.734 1.857 317 HG SER 632 HG SER 632 -15.054 -2.469 1.882 318 H GLU 633 H GLU 633 -13.860 -2.232 5.213 319 HA GLU 633 HA GLU 633 -14.676 -4.794 5.943 320 1HB GLU 633 1HB GLU 633 -14.912 -2.114 6.992 321 2HB GLU 633 2HB GLU 633 -16.399 -3.014 7.260 322 1HG GLU 633 1HG GLU 633 -15.232 -3.520 9.155 323 2HG GLU 633 2HG GLU 633 -14.780 -4.870 8.117 324 H ASP 634 H ASP 634 -16.156 -2.543 3.813 325 HA ASP 634 HA ASP 634 -18.796 -3.729 4.025 326 1HB ASP 634 1HB ASP 634 -17.946 -1.226 3.340 327 2HB ASP 634 2HB ASP 634 -18.241 -1.933 1.755 328 H LYS 635 H LYS 635 -16.267 -5.138 2.994 329 HA LYS 635 HA LYS 635 -15.692 -6.653 1.394 330 1HB LYS 635 1HB LYS 635 -18.218 -7.247 2.173 331 2HB LYS 635 2HB LYS 635 -18.474 -7.003 0.451 332 1HG LYS 635 1HG LYS 635 -16.244 -8.760 1.357 333 2HG LYS 635 2HG LYS 635 -17.900 -9.368 1.386 334 1HD LYS 635 1HD LYS 635 -17.669 -9.862 -0.773 335 2HD LYS 635 2HD LYS 635 -17.623 -8.128 -1.099 336 1HE LYS 635 1HE LYS 635 -15.613 -8.589 -1.995 337 2HE LYS 635 2HE LYS 635 -15.067 -8.572 -0.318 338 1HZ LYS 635 1HZ LYS 635 -16.124 -11.102 -1.262 339 2HZ LYS 635 2HZ LYS 635 -14.676 -10.612 -1.986 340 3HZ LYS 635 3HZ LYS 635 -14.767 -10.784 -0.305 341 H LYS 636 H LYS 636 -15.198 -4.232 0.492 342 HA LYS 636 HA LYS 636 -16.007 -4.364 -2.332 343 1HB LYS 636 1HB LYS 636 -16.523 -2.210 -0.424 344 2HB LYS 636 2HB LYS 636 -15.695 -1.660 -1.874 345 1HG LYS 636 1HG LYS 636 -18.082 -3.415 -2.160 346 2HG LYS 636 2HG LYS 636 -18.306 -1.713 -1.748 347 1HD LYS 636 1HD LYS 636 -18.197 -1.322 -3.947 348 2HD LYS 636 2HD LYS 636 -16.466 -1.631 -3.799 349 1HE LYS 636 1HE LYS 636 -16.795 -3.244 -5.312 350 2HE LYS 636 2HE LYS 636 -17.511 -4.159 -3.984 351 1HZ LYS 636 1HZ LYS 636 -19.419 -2.393 -5.104 352 2HZ LYS 636 2HZ LYS 636 -18.747 -3.358 -6.322 353 3HZ LYS 636 3HZ LYS 636 -19.475 -4.079 -4.977 354 H TRP 637 H TRP 637 -14.343 -4.205 -3.720 355 HA TRP 637 HA TRP 637 -11.703 -3.653 -2.601 356 1HB TRP 637 1HB TRP 637 -12.457 -4.740 -5.324 357 2HB TRP 637 2HB TRP 637 -10.825 -4.621 -4.679 358 HD1 TRP 637 HD1 TRP 637 -13.142 -5.801 -2.023 359 HE1 TRP 637 HE1 TRP 637 -12.926 -8.345 -1.713 360 HE3 TRP 637 HE3 TRP 637 -10.439 -6.909 -6.222 361 HZ2 TRP 637 HZ2 TRP 637 -11.766 -10.532 -3.064 362 HZ3 TRP 637 HZ3 TRP 637 -9.818 -9.253 -6.638 363 HH2 TRP 637 HH2 TRP 637 -10.469 -11.026 -5.091 364 H PHE 638 H PHE 638 -10.516 -1.899 -3.082 365 HA PHE 638 HA PHE 638 -11.399 -0.136 -5.268 366 1HB PHE 638 1HB PHE 638 -10.411 0.897 -2.608 367 2HB PHE 638 2HB PHE 638 -11.083 1.831 -3.934 368 HD1 PHE 638 HD1 PHE 638 -13.496 0.374 -4.595 369 HD2 PHE 638 HD2 PHE 638 -11.801 1.231 -0.788 370 HE1 PHE 638 HE1 PHE 638 -15.724 0.207 -3.575 371 HE2 PHE 638 HE2 PHE 638 -14.031 1.071 0.243 372 HZ PHE 638 HZ PHE 638 -15.973 0.670 -1.087 373 H THR 639 H THR 639 -9.631 1.661 -5.539 374 HA THR 639 HA THR 639 -7.062 0.264 -5.768 375 HB THR 639 HB THR 639 -6.538 2.470 -7.119 376 HG1 THR 639 HG1 THR 639 -9.090 2.525 -8.021 377 1HG2 THR 639 1HG2 THR 639 -6.748 0.100 -7.975 378 2HG2 THR 639 2HG2 THR 639 -8.436 0.470 -8.334 379 3HG2 THR 639 3HG2 THR 639 -7.146 1.369 -9.134 380 HA PRO 640 HA PRO 640 -4.958 2.432 -2.551 381 1HB PRO 640 1HB PRO 640 -3.124 3.488 -4.667 382 2HB PRO 640 2HB PRO 640 -2.735 2.722 -3.121 383 1HG PRO 640 1HG PRO 640 -2.528 1.335 -5.369 384 2HG PRO 640 2HG PRO 640 -3.207 0.583 -3.913 385 1HD PRO 640 1HD PRO 640 -4.598 1.570 -6.362 386 2HD PRO 640 2HD PRO 640 -4.974 0.171 -5.336 387 H ARG 641 H ARG 641 -6.154 4.095 -5.320 388 HA ARG 641 HA ARG 641 -5.741 6.730 -4.152 389 1HB ARG 641 1HB ARG 641 -5.440 6.855 -6.449 390 2HB ARG 641 2HB ARG 641 -6.725 5.703 -6.786 391 1HG ARG 641 1HG ARG 641 -8.220 7.321 -7.045 392 2HG ARG 641 2HG ARG 641 -7.754 8.093 -5.528 393 1HD ARG 641 1HD ARG 641 -7.445 9.526 -7.549 394 2HD ARG 641 2HD ARG 641 -5.982 9.287 -6.592 395 HE ARG 641 HE ARG 641 -5.150 7.854 -8.290 396 1HH1 ARG 641 1HH1 ARG 641 -8.170 9.392 -9.104 397 2HH1 ARG 641 2HH1 ARG 641 -8.010 9.097 -10.804 398 1HH2 ARG 641 1HH2 ARG 641 -4.932 7.460 -10.526 399 2HH2 ARG 641 2HH2 ARG 641 -6.171 7.996 -11.611 400 H GLU 642 H GLU 642 -8.481 4.686 -5.173 401 HA GLU 642 HA GLU 642 -10.470 6.401 -4.107 402 1HB GLU 642 1HB GLU 642 -10.379 3.906 -5.521 403 2HB GLU 642 2HB GLU 642 -11.477 3.759 -4.155 404 1HG GLU 642 1HG GLU 642 -12.990 5.169 -5.040 405 2HG GLU 642 2HG GLU 642 -11.761 6.206 -5.765 406 H PHE 643 H PHE 643 -8.448 3.965 -2.724 407 HA PHE 643 HA PHE 643 -10.054 3.493 -0.399 408 1HB PHE 643 1HB PHE 643 -8.350 1.871 -1.288 409 2HB PHE 643 2HB PHE 643 -7.092 2.973 -0.736 410 HD1 PHE 643 HD1 PHE 643 -6.018 2.016 1.056 411 HD2 PHE 643 HD2 PHE 643 -10.264 1.813 0.851 412 HE1 PHE 643 HE1 PHE 643 -6.073 0.968 3.281 413 HE2 PHE 643 HE2 PHE 643 -10.326 0.764 3.075 414 HZ PHE 643 HZ PHE 643 -8.228 0.341 4.293 415 H GLU 644 H GLU 644 -7.348 5.567 -1.250 416 HA GLU 644 HA GLU 644 -6.841 6.593 1.331 417 1HB GLU 644 1HB GLU 644 -5.117 7.042 -0.147 418 2HB GLU 644 2HB GLU 644 -6.209 7.439 -1.465 419 1HG GLU 644 1HG GLU 644 -6.464 9.318 0.711 420 2HG GLU 644 2HG GLU 644 -4.800 9.209 0.140 421 H ILE 645 H ILE 645 -9.111 7.381 -1.190 422 HA ILE 645 HA ILE 645 -9.979 9.886 -0.239 423 HB ILE 645 HB ILE 645 -11.261 7.805 -1.990 424 1HG1 ILE 645 1HG1 ILE 645 -10.462 10.625 -2.682 425 2HG1 ILE 645 2HG1 ILE 645 -9.300 9.303 -2.716 426 1HG2 ILE 645 1HG2 ILE 645 -12.605 9.900 -0.574 427 2HG2 ILE 645 2HG2 ILE 645 -12.658 10.215 -2.308 428 3HG2 ILE 645 3HG2 ILE 645 -13.267 8.688 -1.671 429 1HD1 ILE 645 1HD1 ILE 645 -11.865 9.319 -4.282 430 2HD1 ILE 645 2HD1 ILE 645 -10.311 9.861 -4.916 431 3HD1 ILE 645 3HD1 ILE 645 -10.525 8.181 -4.423 432 H GLU 646 H GLU 646 -11.052 6.583 0.457 433 HA GLU 646 HA GLU 646 -13.211 7.487 2.149 434 1HB GLU 646 1HB GLU 646 -12.461 5.045 0.872 435 2HB GLU 646 2HB GLU 646 -12.649 4.737 2.593 436 1HG GLU 646 1HG GLU 646 -14.727 4.326 1.455 437 2HG GLU 646 2HG GLU 646 -14.893 5.729 2.508 438 H GLY 647 H GLY 647 -9.904 6.461 2.527 439 1HA GLY 647 1HA GLY 647 -8.581 6.156 4.388 440 2HA GLY 647 2HA GLY 647 -10.043 5.930 5.333 441 H ASP 648 H ASP 648 -8.592 8.628 3.510 442 HA ASP 648 HA ASP 648 -8.593 10.218 5.967 443 1HB ASP 648 1HB ASP 648 -6.907 10.089 3.600 444 2HB ASP 648 2HB ASP 648 -7.406 11.741 3.960 445 H ARG 649 H ARG 649 -9.206 10.911 2.518 446 HA ARG 649 HA ARG 649 -11.830 11.817 2.824 447 1HB ARG 649 1HB ARG 649 -10.885 13.600 4.187 448 2HB ARG 649 2HB ARG 649 -9.757 14.017 2.906 449 1HG ARG 649 1HG ARG 649 -11.553 15.605 2.931 450 2HG ARG 649 2HG ARG 649 -11.673 14.624 1.468 451 1HD ARG 649 1HD ARG 649 -13.439 13.313 2.415 452 2HD ARG 649 2HD ARG 649 -13.227 14.076 3.990 453 HE ARG 649 HE ARG 649 -13.841 16.194 2.563 454 1HH1 ARG 649 1HH1 ARG 649 -15.239 13.003 2.420 455 2HH1 ARG 649 2HH1 ARG 649 -16.795 13.569 1.911 456 1HH2 ARG 649 1HH2 ARG 649 -15.886 16.945 1.892 457 2HH2 ARG 649 2HH2 ARG 649 -17.161 15.808 1.610 458 H GLY 650 H GLY 650 -8.769 12.268 1.132 459 1HA GLY 650 1HA GLY 650 -10.281 12.378 -1.405 460 2HA GLY 650 2HA GLY 650 -8.829 11.405 -1.213 461 H ALA 651 H ALA 651 -9.058 14.540 0.267 462 HA ALA 651 HA ALA 651 -7.850 15.985 -1.889 463 1HB ALA 651 1HB ALA 651 -7.755 16.986 0.917 464 2HB ALA 651 2HB ALA 651 -8.071 17.858 -0.582 465 3HB ALA 651 3HB ALA 651 -9.319 16.829 0.119 466 H SER 652 H SER 652 -6.679 13.886 0.495 467 HA SER 652 HA SER 652 -4.174 14.967 1.107 468 1HB SER 652 1HB SER 652 -3.966 12.116 0.897 469 2HB SER 652 2HB SER 652 -4.070 13.109 2.352 470 HG SER 652 HG SER 652 -6.402 13.097 1.967 471 H LYS 653 H LYS 653 -5.261 13.067 -1.642 472 HA LYS 653 HA LYS 653 -4.380 12.738 -3.709 473 1HB LYS 653 1HB LYS 653 -3.424 15.201 -3.067 474 2HB LYS 653 2HB LYS 653 -1.923 14.317 -3.301 475 1HG LYS 653 1HG LYS 653 -3.990 13.966 -5.380 476 2HG LYS 653 2HG LYS 653 -3.224 15.552 -5.280 477 1HD LYS 653 1HD LYS 653 -1.243 13.483 -5.071 478 2HD LYS 653 2HD LYS 653 -2.226 13.240 -6.517 479 1HE LYS 653 1HE LYS 653 -0.882 14.741 -7.482 480 2HE LYS 653 2HE LYS 653 -1.774 15.943 -6.551 481 1HZ LYS 653 1HZ LYS 653 -0.044 15.388 -4.736 482 2HZ LYS 653 2HZ LYS 653 0.876 14.780 -6.019 483 3HZ LYS 653 3HZ LYS 653 0.401 16.403 -6.013 484 H ASN 654 H ASN 654 -1.425 13.170 -1.746 485 HA ASN 654 HA ASN 654 -0.027 11.031 -2.841 486 1HB ASN 654 1HB ASN 654 0.187 12.433 -0.183 487 2HB ASN 654 2HB ASN 654 1.266 11.111 -0.617 488 2HD2 ASN 654 2HD2 ASN 654 1.467 14.156 -0.247 489 1HD2 ASN 654 1HD2 ASN 654 2.395 14.658 -1.615 490 H TRP 655 H TRP 655 -1.155 9.139 -3.003 491 HA TRP 655 HA TRP 655 -2.578 7.997 -0.790 492 1HB TRP 655 1HB TRP 655 -2.734 5.994 -2.338 493 2HB TRP 655 2HB TRP 655 -3.418 7.492 -2.959 494 HD1 TRP 655 HD1 TRP 655 -2.251 8.598 -5.066 495 HE1 TRP 655 HE1 TRP 655 -0.506 7.734 -6.750 496 HE3 TRP 655 HE3 TRP 655 -0.646 4.463 -2.521 497 HZ2 TRP 655 HZ2 TRP 655 1.311 5.585 -6.969 498 HZ3 TRP 655 HZ3 TRP 655 1.098 3.056 -3.539 499 HH2 TRP 655 HH2 TRP 655 2.054 3.606 -5.717 500 H LYS 656 H LYS 656 0.662 7.911 -1.935 501 HA LYS 656 HA LYS 656 1.372 5.410 -0.716 502 1HB LYS 656 1HB LYS 656 3.489 7.403 -1.293 503 2HB LYS 656 2HB LYS 656 3.426 5.688 -1.669 504 1HG LYS 656 1HG LYS 656 2.853 6.136 -3.755 505 2HG LYS 656 2HG LYS 656 1.438 7.035 -3.203 506 1HD LYS 656 1HD LYS 656 2.464 9.049 -3.423 507 2HD LYS 656 2HD LYS 656 4.048 8.409 -2.978 508 1HE LYS 656 1HE LYS 656 4.400 8.831 -5.197 509 2HE LYS 656 2HE LYS 656 3.820 7.168 -5.289 510 1HZ LYS 656 1HZ LYS 656 1.546 8.174 -5.630 511 2HZ LYS 656 2HZ LYS 656 2.328 9.654 -5.878 512 3HZ LYS 656 3HZ LYS 656 2.637 8.352 -6.910 513 H LEU 657 H LEU 657 0.955 8.605 0.389 514 HA LEU 657 HA LEU 657 2.553 8.064 2.799 515 1HB LEU 657 1HB LEU 657 1.721 10.592 1.428 516 2HB LEU 657 2HB LEU 657 2.124 10.612 3.135 517 HG LEU 657 HG LEU 657 4.018 9.532 1.061 518 1HD1 LEU 657 1HD1 LEU 657 3.208 12.248 1.443 519 2HD1 LEU 657 2HD1 LEU 657 4.890 12.054 1.939 520 3HD1 LEU 657 3HD1 LEU 657 4.389 11.584 0.315 521 1HD2 LEU 657 1HD2 LEU 657 4.155 9.120 3.642 522 2HD2 LEU 657 2HD2 LEU 657 5.604 9.529 2.723 523 3HD2 LEU 657 3HD2 LEU 657 4.777 10.770 3.665 524 H SER 658 H SER 658 -0.655 8.672 1.631 525 HA SER 658 HA SER 658 -1.749 9.265 4.229 526 1HB SER 658 1HB SER 658 -3.852 9.467 3.132 527 2HB SER 658 2HB SER 658 -2.656 10.139 2.024 528 HG SER 658 HG SER 658 -2.805 7.583 1.470 529 H ILE 659 H ILE 659 -1.291 6.425 2.260 530 HA ILE 659 HA ILE 659 -2.909 4.852 4.146 531 HB ILE 659 HB ILE 659 -1.844 3.915 1.488 532 1HG1 ILE 659 1HG1 ILE 659 -4.603 4.982 2.125 533 2HG1 ILE 659 2HG1 ILE 659 -3.369 5.860 1.226 534 1HG2 ILE 659 1HG2 ILE 659 -3.796 2.817 3.484 535 2HG2 ILE 659 2HG2 ILE 659 -3.795 2.290 1.801 536 3HG2 ILE 659 3HG2 ILE 659 -2.362 2.049 2.802 537 1HD1 ILE 659 1HD1 ILE 659 -4.395 3.188 0.335 538 2HD1 ILE 659 2HD1 ILE 659 -5.180 4.703 -0.112 539 3HD1 ILE 659 3HD1 ILE 659 -3.513 4.398 -0.598 540 H ARG 660 H ARG 660 -2.092 3.043 5.157 541 HA ARG 660 HA ARG 660 0.835 2.751 5.081 542 1HB ARG 660 1HB ARG 660 -0.689 1.850 7.471 543 2HB ARG 660 2HB ARG 660 0.931 2.522 7.360 544 1HG ARG 660 1HG ARG 660 -0.534 4.667 6.626 545 2HG ARG 660 2HG ARG 660 -1.655 3.869 7.733 546 1HD ARG 660 1HD ARG 660 0.531 3.688 9.219 547 2HD ARG 660 2HD ARG 660 1.008 5.088 8.258 548 HE ARG 660 HE ARG 660 -0.519 6.346 9.406 549 1HH1 ARG 660 1HH1 ARG 660 -1.224 2.972 9.911 550 2HH1 ARG 660 2HH1 ARG 660 -2.436 3.273 11.112 551 1HH2 ARG 660 1HH2 ARG 660 -2.111 6.752 10.983 552 2HH2 ARG 660 2HH2 ARG 660 -2.943 5.422 11.718 553 H CYS 661 H CYS 661 1.591 0.549 5.770 554 HA CYS 661 HA CYS 661 -0.305 -1.590 5.143 555 1HB CYS 661 1HB CYS 661 1.474 -0.672 3.234 556 2HB CYS 661 2HB CYS 661 2.316 -2.049 3.935 557 HG CYS 661 HG CYS 661 0.207 -2.148 1.573 558 H GLY 662 H GLY 662 -0.255 -2.451 7.171 559 1HA GLY 662 1HA GLY 662 2.092 -3.952 7.898 560 2HA GLY 662 2HA GLY 662 0.571 -3.900 8.779 561 H GLY 663 H GLY 663 2.515 -1.105 7.879 562 1HA GLY 663 1HA GLY 663 3.976 -0.789 10.236 563 2HA GLY 663 2HA GLY 663 2.431 0.014 10.464 564 H TYR 664 H TYR 664 4.508 -0.265 7.589 565 HA TYR 664 HA TYR 664 4.923 2.640 7.666 566 1HB TYR 664 1HB TYR 664 6.367 0.452 6.159 567 2HB TYR 664 2HB TYR 664 6.703 2.169 5.960 568 HD1 TYR 664 HD1 TYR 664 7.074 -0.738 8.140 569 HD2 TYR 664 HD2 TYR 664 7.795 3.437 7.744 570 HE1 TYR 664 HE1 TYR 664 8.649 -0.837 10.026 571 HE2 TYR 664 HE2 TYR 664 9.372 3.349 9.629 572 HH TYR 664 HH TYR 664 9.585 1.602 11.770 573 H THR 665 H THR 665 4.380 3.954 5.954 574 HA THR 665 HA THR 665 2.163 3.189 4.374 575 HB THR 665 HB THR 665 2.236 5.367 3.424 576 HG1 THR 665 HG1 THR 665 4.941 5.077 3.796 577 1HG2 THR 665 1HG2 THR 665 1.763 5.181 5.899 578 2HG2 THR 665 2HG2 THR 665 3.419 5.721 6.173 579 3HG2 THR 665 3HG2 THR 665 2.276 6.773 5.341 580 H LEU 666 H LEU 666 2.188 3.612 1.902 581 HA LEU 666 HA LEU 666 3.865 1.680 0.712 582 1HB LEU 666 1HB LEU 666 2.075 3.803 -0.439 583 2HB LEU 666 2HB LEU 666 3.034 2.759 -1.467 584 HG LEU 666 HG LEU 666 1.036 1.633 -1.481 585 1HD1 LEU 666 1HD1 LEU 666 2.981 0.316 -0.286 586 2HD1 LEU 666 2HD1 LEU 666 1.882 0.392 1.092 587 3HD1 LEU 666 3HD1 LEU 666 1.360 -0.366 -0.413 588 1HD2 LEU 666 1HD2 LEU 666 0.636 3.061 1.028 589 2HD2 LEU 666 2HD2 LEU 666 -0.529 2.592 -0.211 590 3HD2 LEU 666 3HD2 LEU 666 -0.048 1.436 1.030 591 H LYS 667 H LYS 667 4.190 5.088 1.215 592 HA LYS 667 HA LYS 667 6.120 5.709 -0.715 593 1HB LYS 667 1HB LYS 667 4.803 7.177 1.064 594 2HB LYS 667 2HB LYS 667 6.275 6.946 1.997 595 1HG LYS 667 1HG LYS 667 6.776 7.752 -0.755 596 2HG LYS 667 2HG LYS 667 5.830 8.921 0.166 597 1HD LYS 667 1HD LYS 667 7.565 9.473 1.486 598 2HD LYS 667 2HD LYS 667 8.127 7.804 1.607 599 1HE LYS 667 1HE LYS 667 8.897 8.106 -0.825 600 2HE LYS 667 2HE LYS 667 8.691 9.832 -0.532 601 1HZ LYS 667 1HZ LYS 667 10.167 9.420 1.493 602 2HZ LYS 667 2HZ LYS 667 10.582 7.961 0.746 603 3HZ LYS 667 3HZ LYS 667 10.906 9.430 -0.028 604 H VAL 668 H VAL 668 6.404 4.525 2.590 605 HA VAL 668 HA VAL 668 9.279 4.331 2.466 606 HB VAL 668 HB VAL 668 7.562 3.053 4.578 607 1HG1 VAL 668 1HG1 VAL 668 10.365 3.489 4.174 608 2HG1 VAL 668 2HG1 VAL 668 9.834 4.324 5.634 609 3HG1 VAL 668 3HG1 VAL 668 9.549 2.594 5.456 610 1HG2 VAL 668 1HG2 VAL 668 7.600 5.826 3.893 611 2HG2 VAL 668 2HG2 VAL 668 6.742 5.020 5.206 612 3HG2 VAL 668 3HG2 VAL 668 8.385 5.607 5.457 613 H LEU 669 H LEU 669 6.513 2.184 2.160 614 HA LEU 669 HA LEU 669 7.928 -0.262 2.262 615 1HB LEU 669 1HB LEU 669 5.241 0.603 1.823 616 2HB LEU 669 2HB LEU 669 5.675 -0.525 0.553 617 HG LEU 669 HG LEU 669 6.454 -2.085 2.424 618 1HD1 LEU 669 1HD1 LEU 669 5.269 0.139 3.968 619 2HD1 LEU 669 2HD1 LEU 669 4.869 -1.495 4.496 620 3HD1 LEU 669 3HD1 LEU 669 6.555 -0.987 4.400 621 1HD2 LEU 669 1HD2 LEU 669 4.376 -2.322 1.066 622 2HD2 LEU 669 2HD2 LEU 669 4.262 -2.999 2.690 623 3HD2 LEU 669 3HD2 LEU 669 3.513 -1.444 2.327 624 H MET 670 H MET 670 7.314 2.067 -0.256 625 HA MET 670 HA MET 670 8.327 0.322 -2.344 626 1HB MET 670 1HB MET 670 7.787 2.047 -3.874 627 2HB MET 670 2HB MET 670 6.491 2.057 -2.688 628 1HG MET 670 1HG MET 670 7.127 4.065 -1.798 629 2HG MET 670 2HG MET 670 8.814 3.864 -2.270 630 1HE MET 670 1HE MET 670 5.453 3.549 -4.199 631 2HE MET 670 2HE MET 670 5.232 5.113 -3.417 632 3HE MET 670 3HE MET 670 5.418 5.021 -5.168 633 H GLU 671 H GLU 671 9.534 2.325 0.030 634 HA GLU 671 HA GLU 671 11.959 3.058 -1.414 635 1HB GLU 671 1HB GLU 671 10.488 4.220 0.694 636 2HB GLU 671 2HB GLU 671 12.021 3.713 1.388 637 1HG GLU 671 1HG GLU 671 12.587 4.957 -1.083 638 2HG GLU 671 2HG GLU 671 11.446 5.987 -0.218 639 H ASN 672 H ASN 672 10.776 0.749 0.879 640 HA ASN 672 HA ASN 672 13.370 -0.017 1.859 641 1HB ASN 672 1HB ASN 672 10.664 -1.354 2.129 642 2HB ASN 672 2HB ASN 672 12.128 -1.868 2.962 643 2HD2 ASN 672 2HD2 ASN 672 9.473 -0.792 3.858 644 1HD2 ASN 672 1HD2 ASN 672 9.872 0.497 4.938 645 H LYS 673 H LYS 673 10.904 -2.065 0.318 646 HA LYS 673 HA LYS 673 12.326 -2.811 -1.951 647 1HB LYS 673 1HB LYS 673 13.050 -5.131 -1.202 648 2HB LYS 673 2HB LYS 673 14.037 -3.785 -0.650 649 1HG LYS 673 1HG LYS 673 12.281 -3.992 1.398 650 2HG LYS 673 2HG LYS 673 12.399 -5.676 0.879 651 1HD LYS 673 1HD LYS 673 14.965 -4.263 1.048 652 2HD LYS 673 2HD LYS 673 14.127 -4.453 2.590 653 1HE LYS 673 1HE LYS 673 14.017 -6.828 2.308 654 2HE LYS 673 2HE LYS 673 14.636 -6.710 0.661 655 1HZ LYS 673 1HZ LYS 673 16.442 -5.469 2.429 656 2HZ LYS 673 2HZ LYS 673 16.092 -7.018 3.009 657 3HZ LYS 673 3HZ LYS 673 16.691 -6.818 1.439 658 H PHE 674 H PHE 674 9.979 -3.491 0.482 659 HA PHE 674 HA PHE 674 8.680 -5.738 -0.317 660 1HB PHE 674 1HB PHE 674 7.400 -3.133 0.528 661 2HB PHE 674 2HB PHE 674 6.584 -4.693 0.496 662 HD1 PHE 674 HD1 PHE 674 8.573 -2.453 2.408 663 HD2 PHE 674 HD2 PHE 674 7.564 -6.561 1.943 664 HE1 PHE 674 HE1 PHE 674 9.358 -2.901 4.695 665 HE2 PHE 674 HE2 PHE 674 8.348 -7.016 4.230 666 HZ PHE 674 HZ PHE 674 9.249 -5.193 5.605 667 H LEU 675 H LEU 675 8.256 -2.511 -1.743 668 HA LEU 675 HA LEU 675 6.813 -3.770 -3.970 669 1HB LEU 675 1HB LEU 675 5.525 -2.082 -2.753 670 2HB LEU 675 2HB LEU 675 6.796 -0.902 -3.025 671 HG LEU 675 HG LEU 675 6.269 -1.612 -5.566 672 1HD1 LEU 675 1HD1 LEU 675 4.253 -2.900 -4.247 673 2HD1 LEU 675 2HD1 LEU 675 3.487 -1.380 -4.710 674 3HD1 LEU 675 3HD1 LEU 675 4.214 -2.412 -5.941 675 1HD2 LEU 675 1HD2 LEU 675 6.251 0.653 -4.277 676 2HD2 LEU 675 2HD2 LEU 675 5.388 0.503 -5.808 677 3HD2 LEU 675 3HD2 LEU 675 4.502 0.423 -4.285 678 HA PRO 676 HA PRO 676 10.288 -3.172 -6.646 679 1HB PRO 676 1HB PRO 676 8.771 -2.407 -8.895 680 2HB PRO 676 2HB PRO 676 9.299 -4.041 -8.487 681 1HG PRO 676 1HG PRO 676 6.673 -2.723 -8.017 682 2HG PRO 676 2HG PRO 676 7.033 -4.421 -8.380 683 1HD PRO 676 1HD PRO 676 6.355 -3.642 -5.911 684 2HD PRO 676 2HD PRO 676 7.579 -4.904 -6.172 685 H GLU 677 H GLU 677 8.036 -0.911 -8.122 686 HA GLU 677 HA GLU 677 8.360 1.280 -8.732 687 1HB GLU 677 1HB GLU 677 8.073 1.002 -5.881 688 2HB GLU 677 2HB GLU 677 9.049 2.416 -6.251 689 1HG GLU 677 1HG GLU 677 6.389 1.884 -7.542 690 2HG GLU 677 2HG GLU 677 6.571 2.794 -6.043 691 HA PRO 678 HA PRO 678 12.936 0.991 -9.364 692 1HB PRO 678 1HB PRO 678 12.001 3.084 -11.287 693 2HB PRO 678 2HB PRO 678 13.194 1.800 -11.515 694 1HG PRO 678 1HG PRO 678 10.732 1.551 -12.495 695 2HG PRO 678 2HG PRO 678 11.577 0.161 -11.789 696 1HD PRO 678 1HD PRO 678 9.331 1.769 -10.692 697 2HD PRO 678 2HD PRO 678 9.731 0.060 -10.432 698 HA PRO 679 HA PRO 679 13.354 5.658 -8.337 699 1HB PRO 679 1HB PRO 679 11.171 7.188 -7.969 700 2HB PRO 679 2HB PRO 679 11.853 6.903 -9.574 701 1HG PRO 679 1HG PRO 679 9.499 5.609 -8.258 702 2HG PRO 679 2HG PRO 679 9.678 6.170 -9.930 703 1HD PRO 679 1HD PRO 679 9.941 3.555 -9.172 704 2HD PRO 679 2HD PRO 679 10.754 4.255 -10.585 705 H SER 680 H SER 680 14.104 5.335 -6.320 706 HA SER 680 HA SER 680 12.399 5.829 -4.076 707 1HB SER 680 1HB SER 680 12.979 3.621 -2.946 708 2HB SER 680 2HB SER 680 11.792 3.534 -4.248 709 HG SER 680 HG SER 680 14.511 2.769 -4.280 710 H THR 681 H THR 681 14.008 7.513 -3.956 711 HA THR 681 HA THR 681 16.243 6.734 -2.290 712 HB THR 681 HB THR 681 17.154 8.563 -4.400 713 HG1 THR 681 HG1 THR 681 15.953 7.090 -5.681 714 1HG2 THR 681 1HG2 THR 681 18.201 6.571 -2.571 715 2HG2 THR 681 2HG2 THR 681 18.857 6.375 -4.197 716 3HG2 THR 681 3HG2 THR 681 19.023 7.918 -3.358 717 H ARG 682 H ARG 682 15.113 9.522 -4.211 718 HA ARG 682 HA ARG 682 14.726 11.694 -3.664 719 1HB ARG 682 1HB ARG 682 13.834 10.184 -1.254 720 2HB ARG 682 2HB ARG 682 13.946 11.934 -1.134 721 1HG ARG 682 1HG ARG 682 12.525 10.840 -3.484 722 2HG ARG 682 2HG ARG 682 11.736 10.677 -1.914 723 1HD ARG 682 1HD ARG 682 10.957 12.739 -2.361 724 2HD ARG 682 2HD ARG 682 12.549 13.256 -1.808 725 HE ARG 682 HE ARG 682 11.664 13.056 -4.598 726 1HH1 ARG 682 1HH1 ARG 682 14.035 14.038 -2.238 727 2HH1 ARG 682 2HH1 ARG 682 14.928 15.015 -3.355 728 1HH2 ARG 682 1HH2 ARG 682 12.835 14.339 -6.072 729 2HH2 ARG 682 2HH2 ARG 682 14.246 15.187 -5.533 730 H LYS 683 H LYS 683 15.116 13.099 -1.249 731 HA LYS 683 HA LYS 683 17.937 12.721 -0.587 732 1HB LYS 683 1HB LYS 683 17.096 14.626 -2.465 733 2HB LYS 683 2HB LYS 683 17.397 15.532 -0.988 734 1HG LYS 683 1HG LYS 683 19.565 15.486 -1.409 735 2HG LYS 683 2HG LYS 683 19.544 13.724 -1.323 736 1HD LYS 683 1HD LYS 683 19.954 13.612 -3.503 737 2HD LYS 683 2HD LYS 683 18.457 14.488 -3.831 738 1HE LYS 683 1HE LYS 683 19.929 15.931 -4.794 739 2HE LYS 683 2HE LYS 683 19.968 16.559 -3.146 740 1HZ LYS 683 1HZ LYS 683 21.911 14.994 -2.807 741 2HZ LYS 683 2HZ LYS 683 21.953 14.824 -4.490 742 3HZ LYS 683 3HZ LYS 683 22.193 16.344 -3.786 743 H LYS 684 H LYS 684 15.298 15.081 -0.098 744 HA LYS 684 HA LYS 684 15.560 14.666 2.794 745 1HB LYS 684 1HB LYS 684 16.084 17.139 1.296 746 2HB LYS 684 2HB LYS 684 14.993 17.339 2.660 747 1HG LYS 684 1HG LYS 684 17.573 15.879 3.013 748 2HG LYS 684 2HG LYS 684 17.539 17.644 2.997 749 1HD LYS 684 1HD LYS 684 16.847 17.669 5.110 750 2HD LYS 684 2HD LYS 684 15.435 16.702 4.675 751 1HE LYS 684 1HE LYS 684 17.476 14.856 4.692 752 2HE LYS 684 2HE LYS 684 17.894 15.924 6.032 753 1HZ LYS 684 1HZ LYS 684 15.591 15.606 6.857 754 2HZ LYS 684 2HZ LYS 684 15.351 14.443 5.654 755 3HZ LYS 684 3HZ LYS 684 16.512 14.189 6.857 756 H VAL 685 H VAL 685 13.657 14.127 3.602 757 HA VAL 685 HA VAL 685 11.245 15.486 2.660 758 HB VAL 685 HB VAL 685 10.011 13.292 2.657 759 1HG1 VAL 685 1HG1 VAL 685 10.860 14.549 0.616 760 2HG1 VAL 685 2HG1 VAL 685 12.159 13.360 0.557 761 3HG1 VAL 685 3HG1 VAL 685 10.482 12.841 0.396 762 1HG2 VAL 685 1HG2 VAL 685 11.915 12.120 3.898 763 2HG2 VAL 685 2HG2 VAL 685 11.141 11.239 2.579 764 3HG2 VAL 685 3HG2 VAL 685 12.707 12.012 2.326 765 H THR 686 H THR 686 9.419 15.234 4.128 766 HA THR 686 HA THR 686 10.176 15.528 6.830 767 HB THR 686 HB THR 686 8.183 16.626 5.968 768 HG1 THR 686 HG1 THR 686 8.193 16.158 8.195 769 1HG2 THR 686 1HG2 THR 686 7.620 14.114 4.845 770 2HG2 THR 686 2HG2 THR 686 6.344 14.415 6.025 771 3HG2 THR 686 3HG2 THR 686 6.647 15.581 4.737 772 H ILE 687 H ILE 687 9.467 14.247 8.656 773 HA ILE 687 HA ILE 687 9.672 11.382 8.083 774 HB ILE 687 HB ILE 687 9.727 12.438 10.870 775 1HG1 ILE 687 1HG1 ILE 687 12.396 12.440 9.984 776 2HG1 ILE 687 2HG1 ILE 687 11.496 13.357 8.780 777 1HG2 ILE 687 1HG2 ILE 687 10.081 9.977 9.761 778 2HG2 ILE 687 2HG2 ILE 687 11.745 10.533 9.944 779 3HG2 ILE 687 3HG2 ILE 687 10.678 10.468 11.346 780 1HD1 ILE 687 1HD1 ILE 687 10.502 14.596 10.812 781 2HD1 ILE 687 2HD1 ILE 687 11.880 13.923 11.685 782 3HD1 ILE 687 3HD1 ILE 687 12.145 14.972 10.293 783 H LYS 688 H LYS 688 7.815 10.319 7.917 784 HA LYS 688 HA LYS 688 5.347 11.287 8.931 785 1HB LYS 688 1HB LYS 688 6.110 9.389 7.071 786 2HB LYS 688 2HB LYS 688 5.419 8.420 8.366 787 1HG LYS 688 1HG LYS 688 4.029 10.745 7.052 788 2HG LYS 688 2HG LYS 688 3.797 9.054 6.606 789 1HD LYS 688 1HD LYS 688 3.421 9.942 9.440 790 2HD LYS 688 2HD LYS 688 2.135 10.171 8.254 791 1HE LYS 688 1HE LYS 688 2.624 7.637 7.734 792 2HE LYS 688 2HE LYS 688 3.266 7.654 9.377 793 1HZ LYS 688 1HZ LYS 688 0.946 8.881 9.757 794 2HZ LYS 688 2HZ LYS 688 0.520 7.891 8.455 795 3HZ LYS 688 3HZ LYS 688 1.130 7.205 9.875 No H/Q in entry = 795 Start of MODEL 9 1 H1 MET 594 H1 MET 594 14.598 -11.660 3.271 2 H2 MET 594 H2 MET 594 15.760 -12.121 4.411 3 H3 MET 594 H3 MET 594 14.673 -13.265 3.803 4 HA MET 594 HA MET 594 12.951 -12.568 5.071 5 1HB MET 594 1HB MET 594 15.556 -12.434 6.359 6 2HB MET 594 2HB MET 594 14.366 -11.447 7.197 7 1HG MET 594 1HG MET 594 14.103 -13.449 8.262 8 2HG MET 594 2HG MET 594 12.880 -13.579 7.000 9 1HE MET 594 1HE MET 594 13.039 -16.010 7.990 10 2HE MET 594 2HE MET 594 12.682 -16.238 6.279 11 3HE MET 594 3HE MET 594 13.907 -17.234 7.064 12 H ASP 595 H ASP 595 11.612 -10.946 5.878 13 HA ASP 595 HA ASP 595 12.009 -8.348 4.703 14 1HB ASP 595 1HB ASP 595 9.770 -7.862 5.452 15 2HB ASP 595 2HB ASP 595 9.788 -9.494 4.791 16 H GLU 596 H GLU 596 10.737 -6.718 6.608 17 HA GLU 596 HA GLU 596 12.814 -6.576 8.693 18 1HB GLU 596 1HB GLU 596 11.303 -4.399 7.255 19 2HB GLU 596 2HB GLU 596 12.197 -4.103 8.740 20 1HG GLU 596 1HG GLU 596 13.759 -5.499 6.717 21 2HG GLU 596 2HG GLU 596 13.190 -3.913 6.195 22 H ASN 597 H ASN 597 9.591 -5.182 8.202 23 HA ASN 597 HA ASN 597 8.850 -6.138 10.889 24 1HB ASN 597 1HB ASN 597 8.920 -3.482 9.906 25 2HB ASN 597 2HB ASN 597 7.222 -3.921 10.061 26 2HD2 ASN 597 2HD2 ASN 597 8.127 -1.954 11.613 27 1HD2 ASN 597 1HD2 ASN 597 8.275 -2.471 13.255 28 H ILE 598 H ILE 598 7.631 -5.275 7.671 29 HA ILE 598 HA ILE 598 5.409 -7.167 8.089 30 HB ILE 598 HB ILE 598 5.405 -4.753 6.270 31 1HG1 ILE 598 1HG1 ILE 598 5.301 -3.882 8.461 32 2HG1 ILE 598 2HG1 ILE 598 3.624 -3.968 7.933 33 1HG2 ILE 598 1HG2 ILE 598 3.944 -7.008 5.979 34 2HG2 ILE 598 2HG2 ILE 598 2.887 -6.066 7.029 35 3HG2 ILE 598 3HG2 ILE 598 3.404 -5.406 5.477 36 1HD1 ILE 598 1HD1 ILE 598 3.586 -6.239 9.130 37 2HD1 ILE 598 2HD1 ILE 598 5.066 -5.681 9.912 38 3HD1 ILE 598 3HD1 ILE 598 3.567 -4.770 10.107 39 H ASN 599 H ASN 599 5.272 -8.840 6.743 40 HA ASN 599 HA ASN 599 7.279 -9.205 4.713 41 1HB ASN 599 1HB ASN 599 5.151 -11.180 4.664 42 2HB ASN 599 2HB ASN 599 6.862 -11.390 5.017 43 2HD2 ASN 599 2HD2 ASN 599 7.428 -11.874 7.023 44 1HD2 ASN 599 1HD2 ASN 599 6.399 -11.779 8.407 45 H PHE 600 H PHE 600 5.980 -10.620 2.745 46 HA PHE 600 HA PHE 600 3.818 -9.021 1.691 47 1HB PHE 600 1HB PHE 600 4.904 -8.127 -0.158 48 2HB PHE 600 2HB PHE 600 6.097 -7.924 1.114 49 HD1 PHE 600 HD1 PHE 600 5.626 -8.948 -2.177 50 HD2 PHE 600 HD2 PHE 600 7.742 -10.003 1.360 51 HE1 PHE 600 HE1 PHE 600 7.273 -10.174 -3.532 52 HE2 PHE 600 HE2 PHE 600 9.395 -11.229 0.012 53 HZ PHE 600 HZ PHE 600 9.157 -11.296 -2.459 54 H LYS 601 H LYS 601 5.280 -11.914 2.142 55 HA LYS 601 HA LYS 601 4.314 -13.134 -0.330 56 1HB LYS 601 1HB LYS 601 6.087 -14.107 1.884 57 2HB LYS 601 2HB LYS 601 5.420 -15.204 0.682 58 1HG LYS 601 1HG LYS 601 7.160 -12.815 0.103 59 2HG LYS 601 2HG LYS 601 7.673 -14.498 0.112 60 1HD LYS 601 1HD LYS 601 5.526 -13.415 -1.693 61 2HD LYS 601 2HD LYS 601 7.217 -13.569 -2.162 62 1HE LYS 601 1HE LYS 601 6.805 -16.053 -1.283 63 2HE LYS 601 2HE LYS 601 5.154 -15.659 -1.754 64 1HZ LYS 601 1HZ LYS 601 7.367 -15.132 -3.620 65 2HZ LYS 601 2HZ LYS 601 6.758 -16.702 -3.470 66 3HZ LYS 601 3HZ LYS 601 5.737 -15.443 -3.953 67 H GLN 602 H GLN 602 2.979 -12.325 2.510 68 HA GLN 602 HA GLN 602 1.673 -14.766 3.240 69 1HB GLN 602 1HB GLN 602 0.488 -12.169 4.047 70 2HB GLN 602 2HB GLN 602 0.803 -13.609 5.005 71 1HG GLN 602 1HG GLN 602 2.831 -11.568 4.122 72 2HG GLN 602 2HG GLN 602 2.188 -11.780 5.750 73 2HE2 GLN 602 2HE2 GLN 602 4.431 -12.898 3.392 74 1HE2 GLN 602 1HE2 GLN 602 5.219 -14.074 4.383 75 H SER 603 H SER 603 1.327 -12.996 0.560 76 HA SER 603 HA SER 603 -0.215 -12.982 -1.108 77 1HB SER 603 1HB SER 603 -1.536 -14.903 0.774 78 2HB SER 603 2HB SER 603 -2.423 -14.301 -0.626 79 HG SER 603 HG SER 603 0.139 -15.159 -1.163 80 H GLU 604 H GLU 604 -1.203 -12.144 2.126 81 HA GLU 604 HA GLU 604 -2.966 -10.085 0.982 82 1HB GLU 604 1HB GLU 604 -3.551 -12.123 3.007 83 2HB GLU 604 2HB GLU 604 -3.968 -10.492 3.515 84 1HG GLU 604 1HG GLU 604 -5.460 -10.204 1.713 85 2HG GLU 604 2HG GLU 604 -4.854 -11.638 0.886 86 H LEU 605 H LEU 605 -1.977 -8.205 1.262 87 HA LEU 605 HA LEU 605 -0.236 -7.780 3.557 88 1HB LEU 605 1HB LEU 605 0.075 -7.093 0.986 89 2HB LEU 605 2HB LEU 605 -0.712 -5.637 1.562 90 HG LEU 605 HG LEU 605 1.058 -5.347 3.247 91 1HD1 LEU 605 1HD1 LEU 605 1.625 -8.051 2.595 92 2HD1 LEU 605 2HD1 LEU 605 3.044 -7.078 2.209 93 3HD1 LEU 605 3HD1 LEU 605 2.363 -7.036 3.835 94 1HD2 LEU 605 1HD2 LEU 605 1.676 -5.488 0.337 95 2HD2 LEU 605 2HD2 LEU 605 1.554 -4.085 1.400 96 3HD2 LEU 605 3HD2 LEU 605 2.977 -5.125 1.471 97 HA PRO 606 HA PRO 606 -3.611 -5.690 5.636 98 1HB PRO 606 1HB PRO 606 -2.246 -4.988 7.868 99 2HB PRO 606 2HB PRO 606 -2.819 -6.635 7.580 100 1HG PRO 606 1HG PRO 606 -0.087 -5.479 7.171 101 2HG PRO 606 2HG PRO 606 -0.547 -7.037 7.883 102 1HD PRO 606 1HD PRO 606 0.325 -6.793 5.327 103 2HD PRO 606 2HD PRO 606 -0.844 -8.031 5.827 104 H VAL 607 H VAL 607 -4.225 -3.739 4.968 105 HA VAL 607 HA VAL 607 -2.260 -1.543 5.014 106 HB VAL 607 HB VAL 607 -4.436 -0.727 3.439 107 1HG1 VAL 607 1HG1 VAL 607 -1.641 -0.869 3.312 108 2HG1 VAL 607 2HG1 VAL 607 -2.233 -1.640 1.841 109 3HG1 VAL 607 3HG1 VAL 607 -2.724 0.009 2.232 110 1HG2 VAL 607 1HG2 VAL 607 -4.612 -3.426 3.431 111 2HG2 VAL 607 2HG2 VAL 607 -5.104 -2.398 2.086 112 3HG2 VAL 607 3HG2 VAL 607 -3.516 -3.165 2.074 113 H THR 608 H THR 608 -3.000 0.533 5.676 114 HA THR 608 HA THR 608 -5.600 0.652 7.002 115 HB THR 608 HB THR 608 -4.536 1.732 9.002 116 HG1 THR 608 HG1 THR 608 -2.308 1.223 9.336 117 1HG2 THR 608 1HG2 THR 608 -5.320 -0.704 8.820 118 2HG2 THR 608 2HG2 THR 608 -3.607 -1.111 8.723 119 3HG2 THR 608 3HG2 THR 608 -4.239 -0.290 10.150 120 H CYS 609 H CYS 609 -6.412 2.264 5.784 121 HA CYS 609 HA CYS 609 -4.806 4.711 5.479 122 1HB CYS 609 1HB CYS 609 -5.663 3.722 3.403 123 2HB CYS 609 2HB CYS 609 -7.305 3.827 4.029 124 HG CYS 609 HG CYS 609 -6.093 5.892 2.071 125 H GLY 610 H GLY 610 -5.147 5.911 7.279 126 1HA GLY 610 1HA GLY 610 -7.576 7.281 7.638 127 2HA GLY 610 2HA GLY 610 -6.254 7.238 8.798 128 H GLU 611 H GLU 611 -6.145 4.584 9.428 129 HA GLU 611 HA GLU 611 -6.979 3.142 10.982 130 1HB GLU 611 1HB GLU 611 -7.881 5.078 12.171 131 2HB GLU 611 2HB GLU 611 -9.307 5.066 11.148 132 1HG GLU 611 1HG GLU 611 -9.036 2.491 12.285 133 2HG GLU 611 2HG GLU 611 -8.836 3.676 13.576 134 H VAL 612 H VAL 612 -8.248 3.846 8.050 135 HA VAL 612 HA VAL 612 -10.435 1.947 8.095 136 HB VAL 612 HB VAL 612 -9.221 3.456 5.772 137 1HG1 VAL 612 1HG1 VAL 612 -10.831 1.215 5.688 138 2HG1 VAL 612 2HG1 VAL 612 -11.977 2.545 5.519 139 3HG1 VAL 612 3HG1 VAL 612 -10.628 2.396 4.392 140 1HG2 VAL 612 1HG2 VAL 612 -11.549 4.037 7.585 141 2HG2 VAL 612 2HG2 VAL 612 -10.166 5.064 7.203 142 3HG2 VAL 612 3HG2 VAL 612 -11.402 4.757 5.983 143 H LYS 613 H LYS 613 -9.092 0.152 8.779 144 HA LYS 613 HA LYS 613 -6.936 -0.900 7.391 145 1HB LYS 613 1HB LYS 613 -8.495 -1.664 9.557 146 2HB LYS 613 2HB LYS 613 -8.712 -2.971 8.400 147 1HG LYS 613 1HG LYS 613 -6.287 -3.237 8.251 148 2HG LYS 613 2HG LYS 613 -6.075 -1.938 9.420 149 1HD LYS 613 1HD LYS 613 -7.390 -3.270 11.052 150 2HD LYS 613 2HD LYS 613 -7.428 -4.591 9.880 151 1HE LYS 613 1HE LYS 613 -4.770 -3.918 9.976 152 2HE LYS 613 2HE LYS 613 -5.287 -3.717 11.645 153 1HZ LYS 613 1HZ LYS 613 -5.721 -6.164 10.020 154 2HZ LYS 613 2HZ LYS 613 -4.497 -5.972 11.172 155 3HZ LYS 613 3HZ LYS 613 -6.118 -5.964 11.653 156 H GLY 614 H GLY 614 -6.930 -2.995 6.158 157 1HA GLY 614 1HA GLY 614 -8.274 -2.702 3.714 158 2HA GLY 614 2HA GLY 614 -9.153 -3.880 4.674 159 H THR 615 H THR 615 -8.616 -5.456 3.045 160 HA THR 615 HA THR 615 -5.978 -6.638 3.526 161 HB THR 615 HB THR 615 -7.415 -8.421 1.946 162 HG1 THR 615 HG1 THR 615 -9.236 -6.892 2.600 163 1HG2 THR 615 1HG2 THR 615 -6.259 -8.285 4.533 164 2HG2 THR 615 2HG2 THR 615 -7.851 -9.023 4.695 165 3HG2 THR 615 3HG2 THR 615 -6.664 -9.719 3.591 166 H LEU 616 H LEU 616 -4.423 -6.313 2.092 167 HA LEU 616 HA LEU 616 -5.079 -5.438 -0.604 168 1HB LEU 616 1HB LEU 616 -3.338 -4.304 0.798 169 2HB LEU 616 2HB LEU 616 -2.360 -5.755 0.659 170 HG LEU 616 HG LEU 616 -3.168 -4.865 -1.956 171 1HD1 LEU 616 1HD1 LEU 616 -2.633 -2.754 -0.106 172 2HD1 LEU 616 2HD1 LEU 616 -1.331 -2.842 -1.292 173 3HD1 LEU 616 3HD1 LEU 616 -3.002 -2.660 -1.827 174 1HD2 LEU 616 1HD2 LEU 616 -0.529 -5.180 -0.539 175 2HD2 LEU 616 2HD2 LEU 616 -1.316 -6.336 -1.612 176 3HD2 LEU 616 3HD2 LEU 616 -0.693 -4.817 -2.256 177 H TYR 617 H TYR 617 -4.985 -6.678 -2.356 178 HA TYR 617 HA TYR 617 -4.103 -9.444 -2.068 179 1HB TYR 617 1HB TYR 617 -5.913 -7.975 -3.928 180 2HB TYR 617 2HB TYR 617 -5.093 -9.406 -4.551 181 HD1 TYR 617 HD1 TYR 617 -6.800 -8.487 -1.344 182 HD2 TYR 617 HD2 TYR 617 -6.412 -11.292 -4.520 183 HE1 TYR 617 HE1 TYR 617 -8.502 -9.912 -0.286 184 HE2 TYR 617 HE2 TYR 617 -8.113 -12.724 -3.471 185 HH TYR 617 HH TYR 617 -10.114 -12.298 -1.815 186 H LYS 618 H LYS 618 -2.258 -10.192 -2.885 187 HA LYS 618 HA LYS 618 -0.340 -8.457 -4.025 188 1HB LYS 618 1HB LYS 618 -0.493 -11.331 -3.338 189 2HB LYS 618 2HB LYS 618 0.686 -10.894 -4.567 190 1HG LYS 618 1HG LYS 618 1.735 -10.909 -2.404 191 2HG LYS 618 2HG LYS 618 1.664 -9.253 -3.011 192 1HD LYS 618 1HD LYS 618 -0.406 -8.929 -1.644 193 2HD LYS 618 2HD LYS 618 -0.124 -10.521 -0.938 194 1HE LYS 618 1HE LYS 618 2.280 -8.973 -0.811 195 2HE LYS 618 2HE LYS 618 0.947 -8.044 -0.126 196 1HZ LYS 618 1HZ LYS 618 1.520 -10.847 0.649 197 2HZ LYS 618 2HZ LYS 618 2.176 -9.518 1.464 198 3HZ LYS 618 3HZ LYS 618 0.501 -9.745 1.427 199 H GLU 619 H GLU 619 -2.596 -10.763 -5.428 200 HA GLU 619 HA GLU 619 -1.520 -11.031 -7.970 201 1HB GLU 619 1HB GLU 619 -4.477 -10.797 -7.702 202 2HB GLU 619 2HB GLU 619 -3.519 -11.979 -8.572 203 1HG GLU 619 1HG GLU 619 -2.817 -12.815 -6.246 204 2HG GLU 619 2HG GLU 619 -4.207 -11.895 -5.670 205 H ARG 620 H ARG 620 -2.951 -8.293 -6.500 206 HA ARG 620 HA ARG 620 -3.084 -6.934 -9.110 207 1HB ARG 620 1HB ARG 620 -4.707 -6.571 -6.603 208 2HB ARG 620 2HB ARG 620 -4.593 -5.295 -7.809 209 1HG ARG 620 1HG ARG 620 -6.394 -6.271 -8.701 210 2HG ARG 620 2HG ARG 620 -5.240 -7.433 -9.357 211 1HD ARG 620 1HD ARG 620 -5.583 -8.642 -7.074 212 2HD ARG 620 2HD ARG 620 -7.067 -7.692 -7.003 213 HE ARG 620 HE ARG 620 -6.565 -9.972 -8.649 214 1HH1 ARG 620 1HH1 ARG 620 -8.334 -6.974 -8.467 215 2HH1 ARG 620 2HH1 ARG 620 -9.596 -7.506 -9.526 216 1HH2 ARG 620 1HH2 ARG 620 -8.222 -10.679 -10.043 217 2HH2 ARG 620 2HH2 ARG 620 -9.534 -9.613 -10.421 218 H PHE 621 H PHE 621 -1.726 -6.979 -5.946 219 HA PHE 621 HA PHE 621 -0.897 -4.340 -5.626 220 1HB PHE 621 1HB PHE 621 -0.732 -5.992 -3.837 221 2HB PHE 621 2HB PHE 621 0.477 -6.888 -4.747 222 HD1 PHE 621 HD1 PHE 621 0.135 -3.237 -4.059 223 HD2 PHE 621 HD2 PHE 621 2.447 -6.777 -3.566 224 HE1 PHE 621 HE1 PHE 621 1.915 -1.921 -2.984 225 HE2 PHE 621 HE2 PHE 621 4.230 -5.466 -2.491 226 HZ PHE 621 HZ PHE 621 3.965 -3.036 -2.198 227 H LYS 622 H LYS 622 0.290 -6.819 -7.736 228 HA LYS 622 HA LYS 622 2.891 -5.895 -8.192 229 1HB LYS 622 1HB LYS 622 2.558 -6.992 -10.498 230 2HB LYS 622 2HB LYS 622 2.449 -8.010 -9.071 231 1HG LYS 622 1HG LYS 622 -0.144 -7.298 -9.377 232 2HG LYS 622 2HG LYS 622 0.405 -7.304 -11.054 233 1HD LYS 622 1HD LYS 622 1.086 -9.589 -9.250 234 2HD LYS 622 2HD LYS 622 -0.518 -9.492 -9.979 235 1HE LYS 622 1HE LYS 622 0.402 -9.514 -12.180 236 2HE LYS 622 2HE LYS 622 2.041 -9.333 -11.558 237 1HZ LYS 622 1HZ LYS 622 0.299 -11.684 -11.056 238 2HZ LYS 622 2HZ LYS 622 1.515 -11.622 -12.232 239 3HZ LYS 622 3HZ LYS 622 1.917 -11.513 -10.592 240 H GLN 623 H GLN 623 -0.065 -4.437 -8.926 241 HA GLN 623 HA GLN 623 1.222 -2.669 -10.900 242 1HB GLN 623 1HB GLN 623 -1.742 -2.715 -10.629 243 2HB GLN 623 2HB GLN 623 -0.749 -2.453 -12.055 244 1HG GLN 623 1HG GLN 623 -0.335 -5.116 -11.150 245 2HG GLN 623 2HG GLN 623 -2.070 -4.811 -11.237 246 2HE2 GLN 623 2HE2 GLN 623 -2.282 -6.231 -12.974 247 1HE2 GLN 623 1HE2 GLN 623 -1.759 -5.811 -14.567 248 H GLY 624 H GLY 624 -0.094 -2.902 -7.782 249 1HA GLY 624 1HA GLY 624 0.602 -0.281 -7.056 250 2HA GLY 624 2HA GLY 624 -0.401 -1.365 -6.108 251 H THR 625 H THR 625 -0.360 1.599 -7.322 252 HA THR 625 HA THR 625 -3.089 2.098 -6.944 253 HB THR 625 HB THR 625 -1.320 3.819 -6.731 254 HG1 THR 625 HG1 THR 625 -3.730 4.102 -7.974 255 1HG2 THR 625 1HG2 THR 625 -0.463 2.988 -9.173 256 2HG2 THR 625 2HG2 THR 625 -1.352 4.449 -9.605 257 3HG2 THR 625 3HG2 THR 625 -0.030 4.533 -8.440 258 H SER 626 H SER 626 -1.590 0.670 -9.604 259 HA SER 626 HA SER 626 -3.499 1.695 -11.547 260 1HB SER 626 1HB SER 626 -0.994 1.165 -11.987 261 2HB SER 626 2HB SER 626 -1.534 -0.511 -12.098 262 HG SER 626 HG SER 626 -3.180 0.999 -13.543 263 H LYS 627 H LYS 627 -3.701 -0.523 -9.188 264 HA LYS 627 HA LYS 627 -5.917 -1.869 -10.443 265 1HB LYS 627 1HB LYS 627 -3.330 -3.264 -9.919 266 2HB LYS 627 2HB LYS 627 -4.825 -4.141 -9.626 267 1HG LYS 627 1HG LYS 627 -4.201 -2.782 -12.232 268 2HG LYS 627 2HG LYS 627 -3.788 -4.464 -11.889 269 1HD LYS 627 1HD LYS 627 -5.890 -5.146 -12.226 270 2HD LYS 627 2HD LYS 627 -6.555 -3.841 -11.242 271 1HE LYS 627 1HE LYS 627 -5.890 -2.393 -13.349 272 2HE LYS 627 2HE LYS 627 -6.035 -3.946 -14.171 273 1HZ LYS 627 1HZ LYS 627 -8.257 -3.708 -12.538 274 2HZ LYS 627 2HZ LYS 627 -8.082 -2.207 -13.298 275 3HZ LYS 627 3HZ LYS 627 -8.209 -3.616 -14.226 276 H LYS 628 H LYS 628 -7.461 -2.192 -8.967 277 HA LYS 628 HA LYS 628 -7.019 -1.517 -6.240 278 1HB LYS 628 1HB LYS 628 -9.284 -1.510 -6.036 279 2HB LYS 628 2HB LYS 628 -9.193 -1.439 -7.788 280 1HG LYS 628 1HG LYS 628 -9.391 -4.060 -6.350 281 2HG LYS 628 2HG LYS 628 -10.820 -3.092 -6.711 282 1HD LYS 628 1HD LYS 628 -8.879 -3.660 -8.899 283 2HD LYS 628 2HD LYS 628 -9.976 -4.942 -8.381 284 1HE LYS 628 1HE LYS 628 -11.667 -2.815 -8.588 285 2HE LYS 628 2HE LYS 628 -10.517 -2.481 -9.882 286 1HZ LYS 628 1HZ LYS 628 -10.944 -4.996 -10.405 287 2HZ LYS 628 2HZ LYS 628 -12.402 -4.705 -9.597 288 3HZ LYS 628 3HZ LYS 628 -11.999 -3.801 -10.970 289 H CYS 629 H CYS 629 -6.860 -2.791 -4.442 290 HA CYS 629 HA CYS 629 -7.154 -5.664 -4.653 291 1HB CYS 629 1HB CYS 629 -4.787 -5.920 -3.625 292 2HB CYS 629 2HB CYS 629 -4.936 -5.681 -5.362 293 HG CYS 629 HG CYS 629 -4.286 -3.110 -3.203 294 H ILE 630 H ILE 630 -7.641 -2.929 -2.983 295 HA ILE 630 HA ILE 630 -7.189 -4.065 -0.331 296 HB ILE 630 HB ILE 630 -7.929 -1.312 -1.285 297 1HG1 ILE 630 1HG1 ILE 630 -5.940 -1.021 0.521 298 2HG1 ILE 630 2HG1 ILE 630 -5.591 -2.650 -0.050 299 1HG2 ILE 630 1HG2 ILE 630 -8.024 -2.317 1.557 300 2HG2 ILE 630 2HG2 ILE 630 -8.128 -0.625 1.069 301 3HG2 ILE 630 3HG2 ILE 630 -9.392 -1.760 0.593 302 1HD1 ILE 630 1HD1 ILE 630 -6.120 -0.729 -2.188 303 2HD1 ILE 630 2HD1 ILE 630 -4.708 -0.348 -1.202 304 3HD1 ILE 630 3HD1 ILE 630 -4.821 -1.910 -2.013 305 H GLN 631 H GLN 631 -8.727 -5.330 0.456 306 HA GLN 631 HA GLN 631 -11.503 -4.928 -0.351 307 1HB GLN 631 1HB GLN 631 -10.548 -7.208 -0.451 308 2HB GLN 631 2HB GLN 631 -10.260 -7.150 1.283 309 1HG GLN 631 1HG GLN 631 -12.619 -7.041 1.725 310 2HG GLN 631 2HG GLN 631 -12.972 -6.924 0.002 311 2HE2 GLN 631 2HE2 GLN 631 -14.238 -8.838 1.327 312 1HE2 GLN 631 1HE2 GLN 631 -13.584 -10.396 0.967 313 H SER 632 H SER 632 -12.688 -3.603 0.842 314 HA SER 632 HA SER 632 -12.309 -3.634 3.757 315 1HB SER 632 1HB SER 632 -11.797 -1.468 2.065 316 2HB SER 632 2HB SER 632 -13.365 -1.111 2.789 317 HG SER 632 HG SER 632 -12.289 -0.563 4.495 318 H GLU 633 H GLU 633 -14.210 -2.689 4.907 319 HA GLU 633 HA GLU 633 -16.416 -2.616 5.447 320 1HB GLU 633 1HB GLU 633 -16.433 -2.169 2.618 321 2HB GLU 633 2HB GLU 633 -17.796 -3.194 3.046 322 1HG GLU 633 1HG GLU 633 -18.868 -1.547 4.127 323 2HG GLU 633 2HG GLU 633 -17.382 -0.880 4.802 324 H ASP 634 H ASP 634 -15.983 -5.073 2.878 325 HA ASP 634 HA ASP 634 -16.192 -7.303 4.499 326 1HB ASP 634 1HB ASP 634 -18.660 -6.057 4.419 327 2HB ASP 634 2HB ASP 634 -18.806 -7.306 3.186 328 H LYS 635 H LYS 635 -16.640 -5.793 1.410 329 HA LYS 635 HA LYS 635 -15.291 -7.868 0.042 330 1HB LYS 635 1HB LYS 635 -17.662 -8.811 0.454 331 2HB LYS 635 2HB LYS 635 -18.173 -7.675 -0.786 332 1HG LYS 635 1HG LYS 635 -17.830 -9.553 -2.039 333 2HG LYS 635 2HG LYS 635 -16.246 -8.787 -2.167 334 1HD LYS 635 1HD LYS 635 -16.144 -10.333 0.162 335 2HD LYS 635 2HD LYS 635 -16.962 -11.338 -1.035 336 1HE LYS 635 1HE LYS 635 -15.056 -10.638 -2.615 337 2HE LYS 635 2HE LYS 635 -14.219 -10.130 -1.149 338 1HZ LYS 635 1HZ LYS 635 -15.237 -12.702 -0.729 339 2HZ LYS 635 2HZ LYS 635 -14.433 -12.708 -2.217 340 3HZ LYS 635 3HZ LYS 635 -13.618 -12.219 -0.818 341 H LYS 636 H LYS 636 -15.744 -4.829 0.352 342 HA LYS 636 HA LYS 636 -16.079 -4.139 -2.476 343 1HB LYS 636 1HB LYS 636 -16.756 -2.836 -0.007 344 2HB LYS 636 2HB LYS 636 -15.678 -1.802 -0.934 345 1HG LYS 636 1HG LYS 636 -17.984 -3.057 -2.328 346 2HG LYS 636 2HG LYS 636 -18.283 -1.696 -1.244 347 1HD LYS 636 1HD LYS 636 -17.197 -0.210 -2.591 348 2HD LYS 636 2HD LYS 636 -16.071 -1.424 -3.204 349 1HE LYS 636 1HE LYS 636 -17.333 -1.180 -5.072 350 2HE LYS 636 2HE LYS 636 -18.324 -2.387 -4.254 351 1HZ LYS 636 1HZ LYS 636 -18.765 0.548 -4.169 352 2HZ LYS 636 2HZ LYS 636 -19.660 -0.555 -5.088 353 3HZ LYS 636 3HZ LYS 636 -19.720 -0.615 -3.398 354 H TRP 637 H TRP 637 -14.279 -4.145 -3.637 355 HA TRP 637 HA TRP 637 -11.713 -3.659 -2.362 356 1HB TRP 637 1HB TRP 637 -12.342 -4.423 -5.224 357 2HB TRP 637 2HB TRP 637 -10.738 -4.379 -4.498 358 HD1 TRP 637 HD1 TRP 637 -13.613 -5.890 -2.491 359 HE1 TRP 637 HE1 TRP 637 -13.234 -8.421 -2.274 360 HE3 TRP 637 HE3 TRP 637 -9.664 -6.395 -5.701 361 HZ2 TRP 637 HZ2 TRP 637 -11.490 -10.379 -3.324 362 HZ3 TRP 637 HZ3 TRP 637 -8.699 -8.633 -6.037 363 HH2 TRP 637 HH2 TRP 637 -9.593 -10.582 -4.871 364 H PHE 638 H PHE 638 -10.440 -1.921 -2.666 365 HA PHE 638 HA PHE 638 -11.337 0.158 -4.546 366 1HB PHE 638 1HB PHE 638 -10.519 0.485 -1.657 367 2HB PHE 638 2HB PHE 638 -10.543 1.828 -2.794 368 HD1 PHE 638 HD1 PHE 638 -12.552 2.932 -3.325 369 HD2 PHE 638 HD2 PHE 638 -12.647 -0.715 -1.137 370 HE1 PHE 638 HE1 PHE 638 -14.943 3.278 -2.862 371 HE2 PHE 638 HE2 PHE 638 -15.036 -0.378 -0.667 372 HZ PHE 638 HZ PHE 638 -16.176 1.664 -1.490 373 H THR 639 H THR 639 -9.636 1.711 -5.115 374 HA THR 639 HA THR 639 -7.047 0.368 -5.355 375 HB THR 639 HB THR 639 -7.027 2.897 -6.665 376 HG1 THR 639 HG1 THR 639 -9.404 1.380 -7.033 377 1HG2 THR 639 1HG2 THR 639 -5.949 0.603 -7.215 378 2HG2 THR 639 2HG2 THR 639 -7.461 0.280 -8.063 379 3HG2 THR 639 3HG2 THR 639 -6.455 1.645 -8.545 380 HA PRO 640 HA PRO 640 -4.797 2.695 -2.347 381 1HB PRO 640 1HB PRO 640 -3.147 3.744 -4.612 382 2HB PRO 640 2HB PRO 640 -2.627 3.055 -3.068 383 1HG PRO 640 1HG PRO 640 -2.514 1.599 -5.284 384 2HG PRO 640 2HG PRO 640 -3.040 0.872 -3.754 385 1HD PRO 640 1HD PRO 640 -4.654 1.660 -6.131 386 2HD PRO 640 2HD PRO 640 -4.900 0.322 -4.992 387 H ARG 641 H ARG 641 -6.053 4.273 -5.180 388 HA ARG 641 HA ARG 641 -5.758 6.930 -4.032 389 1HB ARG 641 1HB ARG 641 -5.392 7.091 -6.296 390 2HB ARG 641 2HB ARG 641 -6.548 5.827 -6.684 391 1HG ARG 641 1HG ARG 641 -8.219 7.279 -6.961 392 2HG ARG 641 2HG ARG 641 -7.770 8.212 -5.531 393 1HD ARG 641 1HD ARG 641 -7.319 9.761 -7.143 394 2HD ARG 641 2HD ARG 641 -5.757 8.945 -7.075 395 HE ARG 641 HE ARG 641 -7.738 8.063 -9.045 396 1HH1 ARG 641 1HH1 ARG 641 -4.693 9.584 -8.303 397 2HH1 ARG 641 2HH1 ARG 641 -4.127 9.543 -9.940 398 1HH2 ARG 641 1HH2 ARG 641 -7.001 8.005 -11.203 399 2HH2 ARG 641 2HH2 ARG 641 -5.439 8.646 -11.588 400 H GLU 642 H GLU 642 -8.411 4.800 -5.108 401 HA GLU 642 HA GLU 642 -10.492 6.487 -4.202 402 1HB GLU 642 1HB GLU 642 -10.307 4.066 -5.599 403 2HB GLU 642 2HB GLU 642 -11.228 3.689 -4.149 404 1HG GLU 642 1HG GLU 642 -13.009 4.904 -4.795 405 2HG GLU 642 2HG GLU 642 -12.021 6.141 -5.571 406 H PHE 643 H PHE 643 -8.416 4.280 -2.614 407 HA PHE 643 HA PHE 643 -10.072 3.864 -0.304 408 1HB PHE 643 1HB PHE 643 -8.153 2.356 -1.264 409 2HB PHE 643 2HB PHE 643 -7.108 3.412 -0.321 410 HD1 PHE 643 HD1 PHE 643 -6.371 2.225 1.500 411 HD2 PHE 643 HD2 PHE 643 -10.478 1.991 0.409 412 HE1 PHE 643 HE1 PHE 643 -6.826 0.886 3.511 413 HE2 PHE 643 HE2 PHE 643 -10.941 0.651 2.419 414 HZ PHE 643 HZ PHE 643 -9.114 0.097 3.974 415 H GLU 644 H GLU 644 -7.445 5.974 -1.263 416 HA GLU 644 HA GLU 644 -6.896 7.090 1.273 417 1HB GLU 644 1HB GLU 644 -5.275 7.431 -0.423 418 2HB GLU 644 2HB GLU 644 -6.470 8.053 -1.551 419 1HG GLU 644 1HG GLU 644 -6.099 9.569 0.956 420 2HG GLU 644 2HG GLU 644 -4.772 9.607 -0.204 421 H ILE 645 H ILE 645 -9.207 7.819 -1.249 422 HA ILE 645 HA ILE 645 -10.125 10.299 -0.290 423 HB ILE 645 HB ILE 645 -11.288 8.192 -2.074 424 1HG1 ILE 645 1HG1 ILE 645 -11.074 11.028 -2.877 425 2HG1 ILE 645 2HG1 ILE 645 -9.551 10.214 -2.543 426 1HG2 ILE 645 1HG2 ILE 645 -12.722 10.664 -1.123 427 2HG2 ILE 645 2HG2 ILE 645 -13.216 9.688 -2.508 428 3HG2 ILE 645 3HG2 ILE 645 -13.217 8.987 -0.890 429 1HD1 ILE 645 1HD1 ILE 645 -10.548 8.371 -4.110 430 2HD1 ILE 645 2HD1 ILE 645 -11.541 9.707 -4.689 431 3HD1 ILE 645 3HD1 ILE 645 -9.783 9.813 -4.778 432 H GLU 646 H GLU 646 -11.125 6.979 0.402 433 HA GLU 646 HA GLU 646 -13.269 7.833 2.148 434 1HB GLU 646 1HB GLU 646 -13.403 5.795 0.704 435 2HB GLU 646 2HB GLU 646 -12.171 5.053 1.716 436 1HG GLU 646 1HG GLU 646 -13.698 4.395 3.164 437 2HG GLU 646 2HG GLU 646 -14.276 6.048 3.367 438 H GLY 647 H GLY 647 -9.957 6.802 2.443 439 1HA GLY 647 1HA GLY 647 -8.751 6.140 4.346 440 2HA GLY 647 2HA GLY 647 -10.180 6.416 5.327 441 H ASP 648 H ASP 648 -9.889 9.057 3.390 442 HA ASP 648 HA ASP 648 -8.712 10.600 5.563 443 1HB ASP 648 1HB ASP 648 -6.859 9.962 3.966 444 2HB ASP 648 2HB ASP 648 -7.681 10.925 2.742 445 H ARG 649 H ARG 649 -9.306 11.438 2.161 446 HA ARG 649 HA ARG 649 -11.833 12.629 2.599 447 1HB ARG 649 1HB ARG 649 -10.074 14.182 3.776 448 2HB ARG 649 2HB ARG 649 -9.749 14.721 2.134 449 1HG ARG 649 1HG ARG 649 -11.323 16.242 2.821 450 2HG ARG 649 2HG ARG 649 -12.327 15.037 2.013 451 1HD ARG 649 1HD ARG 649 -13.519 14.962 3.897 452 2HD ARG 649 2HD ARG 649 -12.152 14.099 4.601 453 HE ARG 649 HE ARG 649 -11.511 16.723 4.926 454 1HH1 ARG 649 1HH1 ARG 649 -14.262 14.762 5.775 455 2HH1 ARG 649 2HH1 ARG 649 -14.658 15.696 7.180 456 1HH2 ARG 649 1HH2 ARG 649 -12.022 17.957 6.778 457 2HH2 ARG 649 2HH2 ARG 649 -13.385 17.510 7.749 458 H GLY 650 H GLY 650 -8.845 12.941 0.709 459 1HA GLY 650 1HA GLY 650 -10.488 13.186 -1.724 460 2HA GLY 650 2HA GLY 650 -9.212 11.979 -1.634 461 H ALA 651 H ALA 651 -8.828 15.075 -0.112 462 HA ALA 651 HA ALA 651 -7.549 16.378 -2.303 463 1HB ALA 651 1HB ALA 651 -8.160 16.992 0.491 464 2HB ALA 651 2HB ALA 651 -8.173 18.037 -0.929 465 3HB ALA 651 3HB ALA 651 -6.658 17.707 -0.090 466 H SER 652 H SER 652 -6.574 14.023 -0.051 467 HA SER 652 HA SER 652 -3.772 14.678 -0.033 468 1HB SER 652 1HB SER 652 -5.503 12.588 1.143 469 2HB SER 652 2HB SER 652 -3.849 12.089 0.791 470 HG SER 652 HG SER 652 -4.353 14.506 2.143 471 H LYS 653 H LYS 653 -3.315 14.807 -2.283 472 HA LYS 653 HA LYS 653 -3.782 12.812 -4.171 473 1HB LYS 653 1HB LYS 653 -2.647 15.278 -4.238 474 2HB LYS 653 2HB LYS 653 -1.224 14.264 -4.426 475 1HG LYS 653 1HG LYS 653 -3.223 13.252 -6.154 476 2HG LYS 653 2HG LYS 653 -3.151 15.002 -6.371 477 1HD LYS 653 1HD LYS 653 -1.279 14.794 -7.553 478 2HD LYS 653 2HD LYS 653 -0.490 14.000 -6.189 479 1HE LYS 653 1HE LYS 653 -2.269 12.153 -7.443 480 2HE LYS 653 2HE LYS 653 -1.240 12.883 -8.674 481 1HZ LYS 653 1HZ LYS 653 0.614 12.359 -6.935 482 2HZ LYS 653 2HZ LYS 653 -0.495 11.202 -6.391 483 3HZ LYS 653 3HZ LYS 653 0.060 11.156 -7.987 484 H ASN 654 H ASN 654 -1.339 13.062 -1.693 485 HA ASN 654 HA ASN 654 0.350 11.004 -2.752 486 1HB ASN 654 1HB ASN 654 0.294 12.723 -0.363 487 2HB ASN 654 2HB ASN 654 0.989 11.127 -0.097 488 2HD2 ASN 654 2HD2 ASN 654 2.675 10.456 -1.655 489 1HD2 ASN 654 1HD2 ASN 654 3.771 11.662 -2.230 490 H TRP 655 H TRP 655 -1.242 9.357 -3.141 491 HA TRP 655 HA TRP 655 -2.775 8.199 -1.052 492 1HB TRP 655 1HB TRP 655 -3.009 6.281 -2.699 493 2HB TRP 655 2HB TRP 655 -3.543 7.858 -3.274 494 HD1 TRP 655 HD1 TRP 655 -2.311 8.878 -5.351 495 HE1 TRP 655 HE1 TRP 655 -0.521 7.983 -6.969 496 HE3 TRP 655 HE3 TRP 655 -0.871 4.717 -2.751 497 HZ2 TRP 655 HZ2 TRP 655 1.264 5.803 -7.124 498 HZ3 TRP 655 HZ3 TRP 655 0.882 3.279 -3.705 499 HH2 TRP 655 HH2 TRP 655 1.926 3.811 -5.847 500 H LYS 656 H LYS 656 0.502 7.858 -2.052 501 HA LYS 656 HA LYS 656 0.910 5.265 -0.879 502 1HB LYS 656 1HB LYS 656 3.374 5.913 -1.200 503 2HB LYS 656 2HB LYS 656 2.383 5.726 -2.639 504 1HG LYS 656 1HG LYS 656 2.066 8.201 -2.651 505 2HG LYS 656 2HG LYS 656 3.242 8.298 -1.339 506 1HD LYS 656 1HD LYS 656 4.618 8.624 -3.142 507 2HD LYS 656 2HD LYS 656 4.705 6.866 -2.999 508 1HE LYS 656 1HE LYS 656 3.190 6.547 -4.780 509 2HE LYS 656 2HE LYS 656 2.698 8.241 -4.765 510 1HZ LYS 656 1HZ LYS 656 4.966 8.821 -5.480 511 2HZ LYS 656 2HZ LYS 656 5.341 7.176 -5.598 512 3HZ LYS 656 3HZ LYS 656 4.160 7.847 -6.605 513 H LEU 657 H LEU 657 0.802 8.474 0.262 514 HA LEU 657 HA LEU 657 2.270 7.777 2.708 515 1HB LEU 657 1HB LEU 657 1.787 10.262 1.219 516 2HB LEU 657 2HB LEU 657 1.614 10.422 2.956 517 HG LEU 657 HG LEU 657 4.071 9.360 1.558 518 1HD1 LEU 657 1HD1 LEU 657 3.183 12.065 2.253 519 2HD1 LEU 657 2HD1 LEU 657 4.808 11.657 2.804 520 3HD1 LEU 657 3HD1 LEU 657 4.398 11.528 1.093 521 1HD2 LEU 657 1HD2 LEU 657 3.282 9.676 4.411 522 2HD2 LEU 657 2HD2 LEU 657 4.225 8.405 3.632 523 3HD2 LEU 657 3HD2 LEU 657 4.960 9.974 3.960 524 H SER 658 H SER 658 -0.881 8.560 1.474 525 HA SER 658 HA SER 658 -2.086 9.174 3.984 526 1HB SER 658 1HB SER 658 -3.883 9.707 2.738 527 2HB SER 658 2HB SER 658 -2.845 9.413 1.341 528 HG SER 658 HG SER 658 -5.033 8.119 2.013 529 H ILE 659 H ILE 659 -1.531 6.225 2.185 530 HA ILE 659 HA ILE 659 -3.081 4.731 4.192 531 HB ILE 659 HB ILE 659 -2.030 3.589 1.612 532 1HG1 ILE 659 1HG1 ILE 659 -4.731 4.867 2.113 533 2HG1 ILE 659 2HG1 ILE 659 -3.470 5.505 1.064 534 1HG2 ILE 659 1HG2 ILE 659 -3.920 2.717 3.746 535 2HG2 ILE 659 2HG2 ILE 659 -4.158 2.141 2.097 536 3HG2 ILE 659 3HG2 ILE 659 -2.641 1.814 2.936 537 1HD1 ILE 659 1HD1 ILE 659 -4.305 2.765 0.448 538 2HD1 ILE 659 2HD1 ILE 659 -5.551 3.994 0.233 539 3HD1 ILE 659 3HD1 ILE 659 -4.016 4.137 -0.621 540 H ARG 660 H ARG 660 -2.157 3.179 5.429 541 HA ARG 660 HA ARG 660 0.772 2.943 5.284 542 1HB ARG 660 1HB ARG 660 -0.602 2.033 7.735 543 2HB ARG 660 2HB ARG 660 0.881 2.957 7.553 544 1HG ARG 660 1HG ARG 660 -0.664 4.907 6.894 545 2HG ARG 660 2HG ARG 660 -1.949 3.934 7.616 546 1HD ARG 660 1HD ARG 660 -0.416 3.766 9.660 547 2HD ARG 660 2HD ARG 660 0.501 5.081 8.925 548 HE ARG 660 HE ARG 660 -2.292 5.663 9.108 549 1HH1 ARG 660 1HH1 ARG 660 0.706 5.626 10.886 550 2HH1 ARG 660 2HH1 ARG 660 0.210 6.856 11.998 551 1HH2 ARG 660 1HH2 ARG 660 -2.951 7.286 10.568 552 2HH2 ARG 660 2HH2 ARG 660 -1.868 7.800 11.818 553 H CYS 661 H CYS 661 1.607 0.792 6.160 554 HA CYS 661 HA CYS 661 -0.201 -1.428 5.532 555 1HB CYS 661 1HB CYS 661 1.795 -0.550 3.775 556 2HB CYS 661 2HB CYS 661 2.466 -1.980 4.553 557 HG CYS 661 HG CYS 661 0.048 -3.477 3.913 558 H GLY 662 H GLY 662 -0.301 -2.149 7.620 559 1HA GLY 662 1HA GLY 662 1.621 -3.899 8.577 560 2HA GLY 662 2HA GLY 662 0.377 -3.157 9.571 561 H GLY 663 H GLY 663 1.783 -0.515 8.583 562 1HA GLY 663 1HA GLY 663 4.193 -0.625 10.220 563 2HA GLY 663 2HA GLY 663 2.912 0.438 10.781 564 H TYR 664 H TYR 664 4.653 -0.293 7.749 565 HA TYR 664 HA TYR 664 5.163 2.567 7.427 566 1HB TYR 664 1HB TYR 664 6.258 0.301 5.756 567 2HB TYR 664 2HB TYR 664 6.859 1.953 5.847 568 HD1 TYR 664 HD1 TYR 664 7.240 -1.348 7.061 569 HD2 TYR 664 HD2 TYR 664 7.709 2.729 8.186 570 HE1 TYR 664 HE1 TYR 664 8.802 -2.023 8.837 571 HE2 TYR 664 HE2 TYR 664 9.273 2.066 9.962 572 HH TYR 664 HH TYR 664 9.763 -1.259 10.835 573 H THR 665 H THR 665 4.437 3.760 5.728 574 HA THR 665 HA THR 665 2.092 2.873 4.375 575 HB THR 665 HB THR 665 1.999 5.036 3.386 576 HG1 THR 665 HG1 THR 665 3.765 6.021 2.775 577 1HG2 THR 665 1HG2 THR 665 1.868 4.783 5.977 578 2HG2 THR 665 2HG2 THR 665 3.384 5.686 5.958 579 3HG2 THR 665 3HG2 THR 665 1.926 6.393 5.262 580 H LEU 666 H LEU 666 1.943 3.283 1.892 581 HA LEU 666 HA LEU 666 3.549 1.380 0.603 582 1HB LEU 666 1HB LEU 666 1.827 3.590 -0.510 583 2HB LEU 666 2HB LEU 666 2.656 2.429 -1.528 584 HG LEU 666 HG LEU 666 0.442 1.641 -1.342 585 1HD1 LEU 666 1HD1 LEU 666 2.550 0.119 -0.451 586 2HD1 LEU 666 2HD1 LEU 666 1.346 -0.090 0.822 587 3HD1 LEU 666 3HD1 LEU 666 0.939 -0.480 -0.849 588 1HD2 LEU 666 1HD2 LEU 666 0.678 2.697 1.378 589 2HD2 LEU 666 2HD2 LEU 666 -0.730 2.586 0.320 590 3HD2 LEU 666 3HD2 LEU 666 -0.216 1.182 1.257 591 H LYS 667 H LYS 667 3.926 4.811 1.072 592 HA LYS 667 HA LYS 667 5.840 5.367 -0.889 593 1HB LYS 667 1HB LYS 667 4.767 7.144 0.373 594 2HB LYS 667 2HB LYS 667 5.483 6.558 1.868 595 1HG LYS 667 1HG LYS 667 7.518 7.458 1.412 596 2HG LYS 667 2HG LYS 667 7.332 7.276 -0.333 597 1HD LYS 667 1HD LYS 667 5.409 9.134 0.821 598 2HD LYS 667 2HD LYS 667 7.083 9.623 1.095 599 1HE LYS 667 1HE LYS 667 5.786 9.002 -1.555 600 2HE LYS 667 2HE LYS 667 6.292 10.587 -0.970 601 1HZ LYS 667 1HZ LYS 667 8.593 9.398 -0.800 602 2HZ LYS 667 2HZ LYS 667 7.928 8.360 -1.957 603 3HZ LYS 667 3HZ LYS 667 8.057 10.016 -2.280 604 H VAL 668 H VAL 668 6.135 4.064 2.367 605 HA VAL 668 HA VAL 668 9.019 3.908 2.219 606 HB VAL 668 HB VAL 668 7.347 2.542 4.308 607 1HG1 VAL 668 1HG1 VAL 668 9.998 2.527 3.937 608 2HG1 VAL 668 2HG1 VAL 668 9.854 3.984 4.921 609 3HG1 VAL 668 3HG1 VAL 668 9.251 2.445 5.532 610 1HG2 VAL 668 1HG2 VAL 668 7.022 5.207 3.730 611 2HG2 VAL 668 2HG2 VAL 668 6.693 4.446 5.286 612 3HG2 VAL 668 3HG2 VAL 668 8.245 5.230 5.000 613 H LEU 669 H LEU 669 6.252 1.758 1.893 614 HA LEU 669 HA LEU 669 7.654 -0.684 1.921 615 1HB LEU 669 1HB LEU 669 4.977 0.228 1.320 616 2HB LEU 669 2HB LEU 669 5.486 -1.002 0.178 617 HG LEU 669 HG LEU 669 6.027 -2.497 2.092 618 1HD1 LEU 669 1HD1 LEU 669 6.333 -0.612 3.723 619 2HD1 LEU 669 2HD1 LEU 669 4.576 -0.478 3.784 620 3HD1 LEU 669 3HD1 LEU 669 5.365 -1.965 4.306 621 1HD2 LEU 669 1HD2 LEU 669 3.344 -1.534 1.363 622 2HD2 LEU 669 2HD2 LEU 669 4.014 -3.165 1.336 623 3HD2 LEU 669 3HD2 LEU 669 3.436 -2.473 2.853 624 H MET 670 H MET 670 7.141 1.728 -0.539 625 HA MET 670 HA MET 670 8.223 0.013 -2.631 626 1HB MET 670 1HB MET 670 7.800 1.863 -4.138 627 2HB MET 670 2HB MET 670 6.377 1.586 -3.147 628 1HG MET 670 1HG MET 670 6.886 3.478 -1.775 629 2HG MET 670 2HG MET 670 8.435 3.700 -2.582 630 1HE MET 670 1HE MET 670 4.785 2.996 -3.585 631 2HE MET 670 2HE MET 670 4.554 4.534 -2.751 632 3HE MET 670 3HE MET 670 4.315 4.431 -4.496 633 H GLU 671 H GLU 671 9.318 2.081 -0.238 634 HA GLU 671 HA GLU 671 11.753 2.868 -1.629 635 1HB GLU 671 1HB GLU 671 10.216 4.071 0.336 636 2HB GLU 671 2HB GLU 671 11.611 3.471 1.224 637 1HG GLU 671 1HG GLU 671 13.091 4.814 0.073 638 2HG GLU 671 2HG GLU 671 12.003 5.013 -1.300 639 H ASN 672 H ASN 672 10.605 0.468 0.566 640 HA ASN 672 HA ASN 672 13.229 -0.183 1.573 641 1HB ASN 672 1HB ASN 672 10.542 -1.526 1.937 642 2HB ASN 672 2HB ASN 672 12.025 -2.056 2.721 643 2HD2 ASN 672 2HD2 ASN 672 9.559 -1.156 3.918 644 1HD2 ASN 672 1HD2 ASN 672 9.949 0.217 4.890 645 H LYS 673 H LYS 673 10.816 -2.401 0.212 646 HA LYS 673 HA LYS 673 12.085 -3.172 -2.111 647 1HB LYS 673 1HB LYS 673 13.227 -5.278 -1.433 648 2HB LYS 673 2HB LYS 673 14.022 -3.828 -0.838 649 1HG LYS 673 1HG LYS 673 12.205 -4.605 1.161 650 2HG LYS 673 2HG LYS 673 13.024 -6.073 0.621 651 1HD LYS 673 1HD LYS 673 15.164 -5.155 1.099 652 2HD LYS 673 2HD LYS 673 14.489 -3.543 1.341 653 1HE LYS 673 1HE LYS 673 13.084 -4.861 3.186 654 2HE LYS 673 2HE LYS 673 14.514 -5.891 3.149 655 1HZ LYS 673 1HZ LYS 673 14.902 -2.994 3.333 656 2HZ LYS 673 2HZ LYS 673 14.376 -3.813 4.715 657 3HZ LYS 673 3HZ LYS 673 15.834 -4.249 3.977 658 H PHE 674 H PHE 674 9.456 -2.990 -0.875 659 HA PHE 674 HA PHE 674 8.548 -5.776 -1.194 660 1HB PHE 674 1HB PHE 674 7.101 -3.530 0.224 661 2HB PHE 674 2HB PHE 674 6.611 -5.221 0.155 662 HD1 PHE 674 HD1 PHE 674 8.168 -2.805 2.114 663 HD2 PHE 674 HD2 PHE 674 8.473 -6.908 1.027 664 HE1 PHE 674 HE1 PHE 674 9.443 -3.250 4.170 665 HE2 PHE 674 HE2 PHE 674 9.747 -7.361 3.082 666 HZ PHE 674 HZ PHE 674 10.232 -5.544 4.655 667 H LEU 675 H LEU 675 8.436 -2.633 -2.517 668 HA LEU 675 HA LEU 675 6.139 -3.355 -4.212 669 1HB LEU 675 1HB LEU 675 6.655 -1.037 -2.780 670 2HB LEU 675 2HB LEU 675 7.076 -0.610 -4.427 671 HG LEU 675 HG LEU 675 4.461 -1.956 -3.977 672 1HD1 LEU 675 1HD1 LEU 675 5.143 0.835 -3.116 673 2HD1 LEU 675 2HD1 LEU 675 3.509 0.388 -3.609 674 3HD1 LEU 675 3HD1 LEU 675 4.266 -0.414 -2.231 675 1HD2 LEU 675 1HD2 LEU 675 5.305 -1.356 -6.229 676 2HD2 LEU 675 2HD2 LEU 675 3.785 -0.562 -5.820 677 3HD2 LEU 675 3HD2 LEU 675 5.299 0.339 -5.744 678 HA PRO 676 HA PRO 676 8.935 -3.943 -7.610 679 1HB PRO 676 1HB PRO 676 6.650 -3.134 -9.306 680 2HB PRO 676 2HB PRO 676 7.574 -4.638 -9.308 681 1HG PRO 676 1HG PRO 676 5.081 -4.550 -8.351 682 2HG PRO 676 2HG PRO 676 6.324 -5.565 -7.595 683 1HD PRO 676 1HD PRO 676 5.251 -2.912 -6.718 684 2HD PRO 676 2HD PRO 676 5.672 -4.336 -5.743 685 H GLU 677 H GLU 677 7.214 -1.026 -6.973 686 HA GLU 677 HA GLU 677 7.945 0.630 -9.065 687 1HB GLU 677 1HB GLU 677 7.173 1.002 -6.247 688 2HB GLU 677 2HB GLU 677 8.098 2.328 -6.938 689 1HG GLU 677 1HG GLU 677 6.303 1.926 -8.903 690 2HG GLU 677 2HG GLU 677 5.355 1.431 -7.501 691 HA PRO 678 HA PRO 678 12.428 0.261 -8.608 692 1HB PRO 678 1HB PRO 678 12.315 2.219 -10.834 693 2HB PRO 678 2HB PRO 678 13.202 0.695 -10.713 694 1HG PRO 678 1HG PRO 678 11.014 0.893 -12.229 695 2HG PRO 678 2HG PRO 678 11.358 -0.578 -11.301 696 1HD PRO 678 1HD PRO 678 9.414 1.620 -10.724 697 2HD PRO 678 2HD PRO 678 9.245 -0.131 -10.476 698 HA PRO 679 HA PRO 679 13.117 4.945 -7.924 699 1HB PRO 679 1HB PRO 679 10.669 6.423 -8.348 700 2HB PRO 679 2HB PRO 679 12.206 6.569 -9.200 701 1HG PRO 679 1HG PRO 679 9.929 5.604 -10.354 702 2HG PRO 679 2HG PRO 679 11.562 5.148 -10.871 703 1HD PRO 679 1HD PRO 679 9.643 3.660 -9.115 704 2HD PRO 679 2HD PRO 679 10.702 3.046 -10.403 705 H SER 680 H SER 680 13.296 5.332 -5.832 706 HA SER 680 HA SER 680 11.231 6.207 -4.168 707 1HB SER 680 1HB SER 680 10.871 3.562 -4.483 708 2HB SER 680 2HB SER 680 12.028 3.530 -3.147 709 HG SER 680 HG SER 680 10.057 5.389 -2.808 710 H THR 681 H THR 681 12.712 7.712 -3.530 711 HA THR 681 HA THR 681 14.539 6.914 -1.461 712 HB THR 681 HB THR 681 16.227 8.512 -3.025 713 HG1 THR 681 HG1 THR 681 15.176 8.037 -4.921 714 1HG2 THR 681 1HG2 THR 681 16.312 6.126 -1.595 715 2HG2 THR 681 2HG2 THR 681 16.823 5.686 -3.225 716 3HG2 THR 681 3HG2 THR 681 17.676 6.955 -2.346 717 H ARG 682 H ARG 682 14.082 9.634 -3.727 718 HA ARG 682 HA ARG 682 13.774 11.862 -3.391 719 1HB ARG 682 1HB ARG 682 11.909 10.482 -1.770 720 2HB ARG 682 2HB ARG 682 12.500 11.838 -0.821 721 1HG ARG 682 1HG ARG 682 11.975 13.306 -2.796 722 2HG ARG 682 2HG ARG 682 11.155 11.914 -3.506 723 1HD ARG 682 1HD ARG 682 9.401 12.953 -2.455 724 2HD ARG 682 2HD ARG 682 9.931 11.846 -1.191 725 HE ARG 682 HE ARG 682 10.627 13.646 0.062 726 1HH1 ARG 682 1HH1 ARG 682 9.890 14.689 -3.181 727 2HH1 ARG 682 2HH1 ARG 682 9.979 16.375 -2.795 728 1HH2 ARG 682 1HH2 ARG 682 10.749 15.864 0.577 729 2HH2 ARG 682 2HH2 ARG 682 10.468 17.043 -0.660 730 H LYS 683 H LYS 683 16.239 10.804 -2.492 731 HA LYS 683 HA LYS 683 18.076 11.356 -1.275 732 1HB LYS 683 1HB LYS 683 16.592 13.923 -0.686 733 2HB LYS 683 2HB LYS 683 18.331 13.673 -0.631 734 1HG LYS 683 1HG LYS 683 16.700 13.385 -3.140 735 2HG LYS 683 2HG LYS 683 17.478 14.890 -2.646 736 1HD LYS 683 1HD LYS 683 19.613 14.035 -2.955 737 2HD LYS 683 2HD LYS 683 19.069 12.361 -2.830 738 1HE LYS 683 1HE LYS 683 17.689 13.393 -5.014 739 2HE LYS 683 2HE LYS 683 19.314 14.060 -5.161 740 1HZ LYS 683 1HZ LYS 683 19.240 11.253 -4.497 741 2HZ LYS 683 2HZ LYS 683 18.574 11.618 -6.009 742 3HZ LYS 683 3HZ LYS 683 20.166 12.068 -5.653 743 H LYS 684 H LYS 684 18.059 13.132 1.104 744 HA LYS 684 HA LYS 684 17.161 11.115 3.012 745 1HB LYS 684 1HB LYS 684 19.352 12.945 2.884 746 2HB LYS 684 2HB LYS 684 18.416 13.292 4.333 747 1HG LYS 684 1HG LYS 684 18.551 10.824 4.854 748 2HG LYS 684 2HG LYS 684 19.743 10.713 3.560 749 1HD LYS 684 1HD LYS 684 21.063 11.005 5.446 750 2HD LYS 684 2HD LYS 684 20.926 12.646 4.812 751 1HE LYS 684 1HE LYS 684 18.737 12.442 6.458 752 2HE LYS 684 2HE LYS 684 19.962 11.516 7.324 753 1HZ LYS 684 1HZ LYS 684 21.170 13.852 6.403 754 2HZ LYS 684 2HZ LYS 684 19.703 14.306 7.113 755 3HZ LYS 684 3HZ LYS 684 20.834 13.418 8.004 756 H VAL 685 H VAL 685 14.901 11.572 2.783 757 HA VAL 685 HA VAL 685 14.077 13.926 4.347 758 HB VAL 685 HB VAL 685 12.611 12.834 1.938 759 1HG1 VAL 685 1HG1 VAL 685 11.457 14.011 4.052 760 2HG1 VAL 685 2HG1 VAL 685 11.906 15.445 3.128 761 3HG1 VAL 685 3HG1 VAL 685 10.877 14.213 2.399 762 1HG2 VAL 685 1HG2 VAL 685 14.427 15.181 2.315 763 2HG2 VAL 685 2HG2 VAL 685 14.383 13.999 1.007 764 3HG2 VAL 685 3HG2 VAL 685 13.134 15.240 1.117 765 H THR 686 H THR 686 13.209 10.695 3.186 766 HA THR 686 HA THR 686 11.072 10.372 5.075 767 HB THR 686 HB THR 686 12.481 8.304 3.375 768 HG1 THR 686 HG1 THR 686 11.272 10.079 2.310 769 1HG2 THR 686 1HG2 THR 686 11.108 7.606 5.484 770 2HG2 THR 686 2HG2 THR 686 9.716 8.009 4.479 771 3HG2 THR 686 3HG2 THR 686 10.852 6.766 3.955 772 H ILE 687 H ILE 687 11.522 10.244 7.181 773 HA ILE 687 HA ILE 687 13.977 8.954 8.084 774 HB ILE 687 HB ILE 687 12.012 10.004 10.048 775 1HG1 ILE 687 1HG1 ILE 687 13.526 12.243 9.383 776 2HG1 ILE 687 2HG1 ILE 687 13.035 11.586 7.825 777 1HG2 ILE 687 1HG2 ILE 687 14.997 9.955 9.741 778 2HG2 ILE 687 2HG2 ILE 687 14.202 10.935 10.973 779 3HG2 ILE 687 3HG2 ILE 687 14.000 9.182 10.973 780 1HD1 ILE 687 1HD1 ILE 687 10.713 11.484 9.261 781 2HD1 ILE 687 2HD1 ILE 687 11.471 12.961 9.857 782 3HD1 ILE 687 3HD1 ILE 687 11.171 12.760 8.132 783 H LYS 688 H LYS 688 10.557 8.829 9.106 784 HA LYS 688 HA LYS 688 10.912 5.942 9.586 785 1HB LYS 688 1HB LYS 688 8.931 6.429 11.273 786 2HB LYS 688 2HB LYS 688 10.610 6.653 11.743 787 1HG LYS 688 1HG LYS 688 9.899 9.091 10.649 788 2HG LYS 688 2HG LYS 688 8.467 8.585 11.546 789 1HD LYS 688 1HD LYS 688 10.608 7.978 13.219 790 2HD LYS 688 2HD LYS 688 11.011 9.549 12.524 791 1HE LYS 688 1HE LYS 688 8.490 8.805 13.999 792 2HE LYS 688 2HE LYS 688 9.771 9.875 14.562 793 1HZ LYS 688 1HZ LYS 688 8.982 10.907 12.143 794 2HZ LYS 688 2HZ LYS 688 7.536 10.464 12.906 795 3HZ LYS 688 3HZ LYS 688 8.608 11.523 13.673 No H/Q in entry = 795 Start of MODEL 10 1 H1 MET 594 H1 MET 594 14.005 -11.890 3.212 2 H2 MET 594 H2 MET 594 14.239 -10.757 1.978 3 H3 MET 594 H3 MET 594 15.487 -11.819 2.401 4 HA MET 594 HA MET 594 15.875 -10.774 4.437 5 1HB MET 594 1HB MET 594 15.283 -8.705 2.311 6 2HB MET 594 2HB MET 594 16.263 -8.416 3.741 7 1HG MET 594 1HG MET 594 17.891 -8.846 2.215 8 2HG MET 594 2HG MET 594 17.618 -10.471 2.842 9 1HE MET 594 1HE MET 594 16.776 -7.863 0.418 10 2HE MET 594 2HE MET 594 16.990 -8.648 -1.146 11 3HE MET 594 3HE MET 594 15.396 -8.602 -0.394 12 H ASP 595 H ASP 595 13.437 -8.621 2.989 13 HA ASP 595 HA ASP 595 11.654 -7.518 3.867 14 1HB ASP 595 1HB ASP 595 11.388 -9.631 5.983 15 2HB ASP 595 2HB ASP 595 10.123 -8.757 5.123 16 H GLU 596 H GLU 596 10.714 -6.661 6.058 17 HA GLU 596 HA GLU 596 12.941 -6.060 7.884 18 1HB GLU 596 1HB GLU 596 10.933 -4.094 6.774 19 2HB GLU 596 2HB GLU 596 12.071 -3.735 8.065 20 1HG GLU 596 1HG GLU 596 13.198 -4.806 5.552 21 2HG GLU 596 2HG GLU 596 12.543 -3.170 5.505 22 H ASN 597 H ASN 597 9.464 -6.282 7.400 23 HA ASN 597 HA ASN 597 9.074 -7.295 10.043 24 1HB ASN 597 1HB ASN 597 9.095 -4.547 9.915 25 2HB ASN 597 2HB ASN 597 7.380 -4.917 9.760 26 2HD2 ASN 597 2HD2 ASN 597 9.894 -4.432 11.882 27 1HD2 ASN 597 1HD2 ASN 597 9.167 -5.077 13.311 28 H ILE 598 H ILE 598 7.429 -5.681 7.334 29 HA ILE 598 HA ILE 598 5.163 -7.502 7.622 30 HB ILE 598 HB ILE 598 5.479 -5.213 5.677 31 1HG1 ILE 598 1HG1 ILE 598 5.555 -4.186 7.802 32 2HG1 ILE 598 2HG1 ILE 598 3.872 -4.061 7.302 33 1HG2 ILE 598 1HG2 ILE 598 3.807 -7.030 5.172 34 2HG2 ILE 598 2HG2 ILE 598 2.947 -6.525 6.626 35 3HG2 ILE 598 3HG2 ILE 598 3.155 -5.395 5.287 36 1HD1 ILE 598 1HD1 ILE 598 3.621 -6.279 8.663 37 2HD1 ILE 598 2HD1 ILE 598 5.098 -5.715 9.446 38 3HD1 ILE 598 3HD1 ILE 598 3.646 -4.715 9.479 39 H ASN 599 H ASN 599 5.666 -9.449 6.779 40 HA ASN 599 HA ASN 599 7.317 -9.920 4.559 41 1HB ASN 599 1HB ASN 599 5.089 -11.801 5.246 42 2HB ASN 599 2HB ASN 599 6.748 -12.162 4.777 43 2HD2 ASN 599 2HD2 ASN 599 4.643 -11.201 7.373 44 1HD2 ASN 599 1HD2 ASN 599 5.749 -11.528 8.660 45 H PHE 600 H PHE 600 6.934 -9.130 2.600 46 HA PHE 600 HA PHE 600 4.235 -8.742 1.644 47 1HB PHE 600 1HB PHE 600 5.241 -7.618 -0.237 48 2HB PHE 600 2HB PHE 600 6.034 -7.076 1.238 49 HD1 PHE 600 HD1 PHE 600 6.461 -8.589 -1.983 50 HD2 PHE 600 HD2 PHE 600 8.286 -8.043 1.822 51 HE1 PHE 600 HE1 PHE 600 8.644 -9.186 -2.948 52 HE2 PHE 600 HE2 PHE 600 10.473 -8.638 0.864 53 HZ PHE 600 HZ PHE 600 10.656 -9.192 -1.530 54 H LYS 601 H LYS 601 6.190 -11.362 1.786 55 HA LYS 601 HA LYS 601 5.793 -12.419 -0.855 56 1HB LYS 601 1HB LYS 601 6.758 -13.702 1.699 57 2HB LYS 601 2HB LYS 601 6.687 -14.530 0.150 58 1HG LYS 601 1HG LYS 601 8.543 -12.410 1.089 59 2HG LYS 601 2HG LYS 601 8.869 -13.883 0.181 60 1HD LYS 601 1HD LYS 601 7.432 -11.505 -0.982 61 2HD LYS 601 2HD LYS 601 9.175 -11.738 -1.095 62 1HE LYS 601 1HE LYS 601 8.288 -14.140 -1.966 63 2HE LYS 601 2HE LYS 601 6.982 -13.089 -2.520 64 1HZ LYS 601 1HZ LYS 601 9.021 -11.661 -3.334 65 2HZ LYS 601 2HZ LYS 601 9.786 -13.169 -3.347 66 3HZ LYS 601 3HZ LYS 601 8.394 -12.919 -4.274 67 H GLN 602 H GLN 602 3.658 -11.867 1.526 68 HA GLN 602 HA GLN 602 2.211 -14.381 1.378 69 1HB GLN 602 1HB GLN 602 1.301 -11.820 2.686 70 2HB GLN 602 2HB GLN 602 0.714 -13.448 2.993 71 1HG GLN 602 1HG GLN 602 3.202 -12.120 3.920 72 2HG GLN 602 2HG GLN 602 2.061 -13.131 4.804 73 2HE2 GLN 602 2HE2 GLN 602 5.088 -13.003 3.526 74 1HE2 GLN 602 1HE2 GLN 602 5.419 -14.693 3.394 75 H SER 603 H SER 603 0.027 -14.540 0.635 76 HA SER 603 HA SER 603 -0.397 -13.209 -1.845 77 1HB SER 603 1HB SER 603 -2.186 -15.042 -0.234 78 2HB SER 603 2HB SER 603 -2.559 -14.471 -1.859 79 HG SER 603 HG SER 603 -1.308 -15.973 -2.598 80 H GLU 604 H GLU 604 -1.172 -12.420 1.371 81 HA GLU 604 HA GLU 604 -2.857 -10.219 0.417 82 1HB GLU 604 1HB GLU 604 -3.561 -11.817 2.880 83 2HB GLU 604 2HB GLU 604 -4.501 -10.533 2.132 84 1HG GLU 604 1HG GLU 604 -4.952 -11.920 0.214 85 2HG GLU 604 2HG GLU 604 -3.906 -13.187 0.848 86 H LEU 605 H LEU 605 -1.994 -8.375 1.057 87 HA LEU 605 HA LEU 605 -0.348 -8.327 3.491 88 1HB LEU 605 1HB LEU 605 0.282 -7.479 0.984 89 2HB LEU 605 2HB LEU 605 -0.324 -5.993 1.689 90 HG LEU 605 HG LEU 605 1.315 -6.289 3.560 91 1HD1 LEU 605 1HD1 LEU 605 1.599 -8.724 3.292 92 2HD1 LEU 605 2HD1 LEU 605 2.455 -8.434 1.777 93 3HD1 LEU 605 3HD1 LEU 605 3.132 -7.852 3.299 94 1HD2 LEU 605 1HD2 LEU 605 1.653 -4.964 1.359 95 2HD2 LEU 605 2HD2 LEU 605 3.043 -5.273 2.397 96 3HD2 LEU 605 3HD2 LEU 605 2.785 -6.254 0.954 97 HA PRO 606 HA PRO 606 -3.577 -5.896 5.351 98 1HB PRO 606 1HB PRO 606 -2.301 -5.140 7.597 99 2HB PRO 606 2HB PRO 606 -2.823 -6.809 7.334 100 1HG PRO 606 1HG PRO 606 -0.106 -5.598 6.995 101 2HG PRO 606 2HG PRO 606 -0.555 -7.149 7.727 102 1HD PRO 606 1HD PRO 606 0.390 -6.903 5.175 103 2HD PRO 606 2HD PRO 606 -0.697 -8.205 5.695 104 H VAL 607 H VAL 607 -4.227 -3.810 5.272 105 HA VAL 607 HA VAL 607 -2.199 -1.695 5.083 106 HB VAL 607 HB VAL 607 -3.860 -0.601 3.393 107 1HG1 VAL 607 1HG1 VAL 607 -1.578 -2.339 3.092 108 2HG1 VAL 607 2HG1 VAL 607 -2.631 -2.418 1.679 109 3HG1 VAL 607 3HG1 VAL 607 -1.993 -0.865 2.217 110 1HG2 VAL 607 1HG2 VAL 607 -5.458 -2.598 3.740 111 2HG2 VAL 607 2HG2 VAL 607 -5.205 -1.994 2.102 112 3HG2 VAL 607 3HG2 VAL 607 -4.378 -3.456 2.641 113 H THR 608 H THR 608 -2.912 0.383 5.742 114 HA THR 608 HA THR 608 -5.557 0.556 6.975 115 HB THR 608 HB THR 608 -4.159 1.782 8.911 116 HG1 THR 608 HG1 THR 608 -2.280 0.664 9.343 117 1HG2 THR 608 1HG2 THR 608 -5.635 -0.593 8.638 118 2HG2 THR 608 2HG2 THR 608 -4.194 -1.007 9.565 119 3HG2 THR 608 3HG2 THR 608 -5.261 0.279 10.124 120 H CYS 609 H CYS 609 -6.332 2.234 5.829 121 HA CYS 609 HA CYS 609 -4.631 4.618 5.533 122 1HB CYS 609 1HB CYS 609 -5.395 3.845 3.403 123 2HB CYS 609 2HB CYS 609 -7.046 3.674 3.987 124 HG CYS 609 HG CYS 609 -5.458 6.388 2.829 125 H GLY 610 H GLY 610 -4.951 5.879 7.275 126 1HA GLY 610 1HA GLY 610 -7.277 7.383 7.591 127 2HA GLY 610 2HA GLY 610 -6.013 7.228 8.802 128 H GLU 611 H GLU 611 -6.092 4.823 9.773 129 HA GLU 611 HA GLU 611 -7.147 3.489 11.279 130 1HB GLU 611 1HB GLU 611 -9.441 5.445 11.070 131 2HB GLU 611 2HB GLU 611 -9.212 4.243 12.331 132 1HG GLU 611 1HG GLU 611 -7.738 5.502 13.448 133 2HG GLU 611 2HG GLU 611 -6.967 6.087 11.976 134 H VAL 612 H VAL 612 -8.116 3.939 8.182 135 HA VAL 612 HA VAL 612 -10.337 2.038 8.259 136 HB VAL 612 HB VAL 612 -9.156 3.576 5.938 137 1HG1 VAL 612 1HG1 VAL 612 -10.605 1.254 5.794 138 2HG1 VAL 612 2HG1 VAL 612 -11.855 2.491 5.657 139 3HG1 VAL 612 3HG1 VAL 612 -10.503 2.476 4.526 140 1HG2 VAL 612 1HG2 VAL 612 -10.344 4.902 7.720 141 2HG2 VAL 612 2HG2 VAL 612 -11.020 5.036 6.096 142 3HG2 VAL 612 3HG2 VAL 612 -11.807 4.012 7.296 143 H LYS 613 H LYS 613 -9.380 0.072 8.688 144 HA LYS 613 HA LYS 613 -7.043 -0.809 7.279 145 1HB LYS 613 1HB LYS 613 -8.003 -1.476 9.658 146 2HB LYS 613 2HB LYS 613 -8.797 -2.735 8.723 147 1HG LYS 613 1HG LYS 613 -6.175 -2.786 7.830 148 2HG LYS 613 2HG LYS 613 -6.043 -2.512 9.567 149 1HD LYS 613 1HD LYS 613 -6.123 -4.802 9.523 150 2HD LYS 613 2HD LYS 613 -7.844 -4.436 9.665 151 1HE LYS 613 1HE LYS 613 -8.278 -4.981 7.470 152 2HE LYS 613 2HE LYS 613 -6.622 -4.667 6.954 153 1HZ LYS 613 1HZ LYS 613 -6.523 -6.752 8.784 154 2HZ LYS 613 2HZ LYS 613 -7.794 -7.109 7.724 155 3HZ LYS 613 3HZ LYS 613 -6.240 -6.826 7.119 156 H GLY 614 H GLY 614 -6.926 -2.727 5.988 157 1HA GLY 614 1HA GLY 614 -8.430 -2.731 3.712 158 2HA GLY 614 2HA GLY 614 -9.263 -3.851 4.780 159 H THR 615 H THR 615 -8.687 -5.380 3.017 160 HA THR 615 HA THR 615 -6.048 -6.549 3.566 161 HB THR 615 HB THR 615 -8.168 -8.050 2.090 162 HG1 THR 615 HG1 THR 615 -8.197 -8.393 4.826 163 1HG2 THR 615 1HG2 THR 615 -5.662 -8.706 2.806 164 2HG2 THR 615 2HG2 THR 615 -6.531 -9.241 4.245 165 3HG2 THR 615 3HG2 THR 615 -6.964 -9.887 2.662 166 H LEU 616 H LEU 616 -4.536 -6.235 2.100 167 HA LEU 616 HA LEU 616 -5.238 -5.447 -0.607 168 1HB LEU 616 1HB LEU 616 -3.529 -4.173 0.563 169 2HB LEU 616 2HB LEU 616 -2.578 -5.625 0.806 170 HG LEU 616 HG LEU 616 -3.186 -5.004 -2.008 171 1HD1 LEU 616 1HD1 LEU 616 -1.578 -3.159 -0.271 172 2HD1 LEU 616 2HD1 LEU 616 -1.262 -3.326 -1.999 173 3HD1 LEU 616 3HD1 LEU 616 -2.837 -2.760 -1.441 174 1HD2 LEU 616 1HD2 LEU 616 -1.151 -6.308 -0.390 175 2HD2 LEU 616 2HD2 LEU 616 -1.608 -6.580 -2.071 176 3HD2 LEU 616 3HD2 LEU 616 -0.473 -5.294 -1.663 177 H TYR 617 H TYR 617 -5.168 -6.747 -2.321 178 HA TYR 617 HA TYR 617 -4.281 -9.497 -1.958 179 1HB TYR 617 1HB TYR 617 -6.014 -8.069 -3.937 180 2HB TYR 617 2HB TYR 617 -5.264 -9.592 -4.408 181 HD1 TYR 617 HD1 TYR 617 -7.247 -8.138 -1.590 182 HD2 TYR 617 HD2 TYR 617 -6.421 -11.551 -3.992 183 HE1 TYR 617 HE1 TYR 617 -9.049 -9.367 -0.455 184 HE2 TYR 617 HE2 TYR 617 -8.222 -12.788 -2.865 185 HH TYR 617 HH TYR 617 -9.973 -12.628 -1.468 186 H LYS 618 H LYS 618 -2.378 -10.210 -2.650 187 HA LYS 618 HA LYS 618 -0.494 -8.510 -3.893 188 1HB LYS 618 1HB LYS 618 -0.150 -10.602 -2.373 189 2HB LYS 618 2HB LYS 618 -0.210 -11.495 -3.886 190 1HG LYS 618 1HG LYS 618 1.572 -9.528 -4.489 191 2HG LYS 618 2HG LYS 618 1.906 -9.805 -2.777 192 1HD LYS 618 1HD LYS 618 1.563 -12.281 -4.255 193 2HD LYS 618 2HD LYS 618 2.879 -11.291 -4.892 194 1HE LYS 618 1HE LYS 618 3.056 -11.214 -2.072 195 2HE LYS 618 2HE LYS 618 2.819 -12.899 -2.534 196 1HZ LYS 618 1HZ LYS 618 4.900 -11.109 -3.667 197 2HZ LYS 618 2HZ LYS 618 5.169 -12.262 -2.456 198 3HZ LYS 618 3HZ LYS 618 4.701 -12.754 -4.005 199 H GLU 619 H GLU 619 -2.682 -10.958 -5.134 200 HA GLU 619 HA GLU 619 -1.568 -11.404 -7.641 201 1HB GLU 619 1HB GLU 619 -4.101 -11.695 -8.300 202 2HB GLU 619 2HB GLU 619 -3.312 -12.837 -7.221 203 1HG GLU 619 1HG GLU 619 -4.211 -11.386 -5.321 204 2HG GLU 619 2HG GLU 619 -5.250 -10.655 -6.545 205 H ARG 620 H ARG 620 -3.053 -8.574 -6.411 206 HA ARG 620 HA ARG 620 -3.155 -7.426 -9.123 207 1HB ARG 620 1HB ARG 620 -4.899 -7.030 -6.728 208 2HB ARG 620 2HB ARG 620 -4.677 -5.690 -7.845 209 1HG ARG 620 1HG ARG 620 -5.843 -6.701 -9.514 210 2HG ARG 620 2HG ARG 620 -5.394 -8.327 -8.994 211 1HD ARG 620 1HD ARG 620 -7.047 -8.402 -7.372 212 2HD ARG 620 2HD ARG 620 -7.183 -6.647 -7.287 213 HE ARG 620 HE ARG 620 -8.626 -8.392 -9.013 214 1HH1 ARG 620 1HH1 ARG 620 -7.238 -5.202 -8.799 215 2HH1 ARG 620 2HH1 ARG 620 -8.330 -4.510 -9.951 216 1HH2 ARG 620 1HH2 ARG 620 -10.067 -7.490 -10.530 217 2HH2 ARG 620 2HH2 ARG 620 -9.939 -5.811 -10.935 218 H PHE 621 H PHE 621 -1.910 -7.169 -5.914 219 HA PHE 621 HA PHE 621 -1.108 -4.508 -5.807 220 1HB PHE 621 1HB PHE 621 -0.997 -5.995 -3.874 221 2HB PHE 621 2HB PHE 621 0.254 -6.954 -4.658 222 HD1 PHE 621 HD1 PHE 621 -0.349 -3.355 -3.837 223 HD2 PHE 621 HD2 PHE 621 2.378 -6.622 -3.892 224 HE1 PHE 621 HE1 PHE 621 1.376 -1.927 -2.821 225 HE2 PHE 621 HE2 PHE 621 4.108 -5.200 -2.875 226 HZ PHE 621 HZ PHE 621 3.609 -2.850 -2.337 227 H LYS 622 H LYS 622 0.073 -7.087 -7.739 228 HA LYS 622 HA LYS 622 2.722 -6.423 -8.176 229 1HB LYS 622 1HB LYS 622 2.226 -7.344 -10.561 230 2HB LYS 622 2HB LYS 622 2.080 -8.411 -9.172 231 1HG LYS 622 1HG LYS 622 -0.231 -8.435 -9.265 232 2HG LYS 622 2HG LYS 622 -0.309 -6.933 -10.188 233 1HD LYS 622 1HD LYS 622 -0.792 -8.500 -11.810 234 2HD LYS 622 2HD LYS 622 0.952 -8.315 -12.006 235 1HE LYS 622 1HE LYS 622 1.364 -10.420 -11.355 236 2HE LYS 622 2HE LYS 622 0.195 -10.338 -10.037 237 1HZ LYS 622 1HZ LYS 622 -0.702 -10.574 -12.839 238 2HZ LYS 622 2HZ LYS 622 -0.247 -11.946 -11.958 239 3HZ LYS 622 3HZ LYS 622 -1.531 -10.982 -11.421 240 H GLN 623 H GLN 623 -0.031 -4.586 -8.946 241 HA GLN 623 HA GLN 623 1.552 -2.910 -10.780 242 1HB GLN 623 1HB GLN 623 -1.376 -2.567 -10.792 243 2HB GLN 623 2HB GLN 623 -0.240 -2.601 -12.133 244 1HG GLN 623 1HG GLN 623 -0.381 -5.207 -11.000 245 2HG GLN 623 2HG GLN 623 -2.019 -4.622 -11.282 246 2HE2 GLN 623 2HE2 GLN 623 -1.837 -6.528 -12.792 247 1HE2 GLN 623 1HE2 GLN 623 -1.304 -6.197 -14.401 248 H GLY 624 H GLY 624 0.007 -3.097 -7.771 249 1HA GLY 624 1HA GLY 624 0.819 -0.487 -7.016 250 2HA GLY 624 2HA GLY 624 -0.183 -1.570 -6.063 251 H THR 625 H THR 625 -0.102 1.362 -7.539 252 HA THR 625 HA THR 625 -2.895 1.807 -7.132 253 HB THR 625 HB THR 625 -1.268 3.564 -6.647 254 HG1 THR 625 HG1 THR 625 -2.577 4.821 -8.705 255 1HG2 THR 625 1HG2 THR 625 -0.715 3.380 -9.597 256 2HG2 THR 625 2HG2 THR 625 -0.361 4.842 -8.676 257 3HG2 THR 625 3HG2 THR 625 0.427 3.322 -8.255 258 H SER 626 H SER 626 -2.546 -0.174 -9.116 259 HA SER 626 HA SER 626 -3.864 1.168 -11.361 260 1HB SER 626 1HB SER 626 -1.506 -0.698 -11.524 261 2HB SER 626 2HB SER 626 -2.620 -0.507 -12.877 262 HG SER 626 HG SER 626 -1.998 1.560 -13.121 263 H LYS 627 H LYS 627 -4.092 -1.051 -8.993 264 HA LYS 627 HA LYS 627 -6.283 -2.419 -10.305 265 1HB LYS 627 1HB LYS 627 -3.844 -3.870 -9.286 266 2HB LYS 627 2HB LYS 627 -5.401 -4.664 -9.479 267 1HG LYS 627 1HG LYS 627 -4.969 -3.380 -11.900 268 2HG LYS 627 2HG LYS 627 -3.394 -4.036 -11.451 269 1HD LYS 627 1HD LYS 627 -4.045 -6.127 -11.880 270 2HD LYS 627 2HD LYS 627 -5.536 -5.927 -10.960 271 1HE LYS 627 1HE LYS 627 -6.631 -5.988 -12.896 272 2HE LYS 627 2HE LYS 627 -5.920 -4.417 -13.264 273 1HZ LYS 627 1HZ LYS 627 -4.588 -6.992 -13.892 274 2HZ LYS 627 2HZ LYS 627 -5.578 -6.168 -14.989 275 3HZ LYS 627 3HZ LYS 627 -4.154 -5.448 -14.430 276 H LYS 628 H LYS 628 -7.931 -2.620 -8.930 277 HA LYS 628 HA LYS 628 -7.682 -1.783 -6.218 278 1HB LYS 628 1HB LYS 628 -10.107 -2.490 -6.086 279 2HB LYS 628 2HB LYS 628 -9.727 -1.270 -7.295 280 1HG LYS 628 1HG LYS 628 -9.486 -3.830 -8.504 281 2HG LYS 628 2HG LYS 628 -11.022 -3.754 -7.643 282 1HD LYS 628 1HD LYS 628 -10.095 -1.585 -9.511 283 2HD LYS 628 2HD LYS 628 -11.039 -2.972 -10.057 284 1HE LYS 628 1HE LYS 628 -12.747 -1.531 -9.640 285 2HE LYS 628 2HE LYS 628 -12.585 -2.230 -8.030 286 1HZ LYS 628 1HZ LYS 628 -11.071 0.190 -8.766 287 2HZ LYS 628 2HZ LYS 628 -12.685 0.311 -8.278 288 3HZ LYS 628 3HZ LYS 628 -11.531 -0.351 -7.231 289 H CYS 629 H CYS 629 -6.601 -3.053 -4.829 290 HA CYS 629 HA CYS 629 -7.415 -5.881 -4.672 291 1HB CYS 629 1HB CYS 629 -5.082 -6.302 -3.785 292 2HB CYS 629 2HB CYS 629 -5.181 -5.886 -5.492 293 HG CYS 629 HG CYS 629 -4.754 -3.029 -4.438 294 H ILE 630 H ILE 630 -7.718 -3.029 -3.156 295 HA ILE 630 HA ILE 630 -7.295 -4.052 -0.450 296 HB ILE 630 HB ILE 630 -7.863 -1.297 -1.522 297 1HG1 ILE 630 1HG1 ILE 630 -5.715 -1.699 0.418 298 2HG1 ILE 630 2HG1 ILE 630 -5.519 -2.684 -1.027 299 1HG2 ILE 630 1HG2 ILE 630 -8.247 -2.352 1.234 300 2HG2 ILE 630 2HG2 ILE 630 -7.579 -0.732 1.037 301 3HG2 ILE 630 3HG2 ILE 630 -9.158 -1.123 0.357 302 1HD1 ILE 630 1HD1 ILE 630 -6.098 0.240 -1.235 303 2HD1 ILE 630 2HD1 ILE 630 -4.458 -0.351 -0.968 304 3HD1 ILE 630 3HD1 ILE 630 -5.345 -0.836 -2.413 305 H GLN 631 H GLN 631 -8.922 -5.236 0.311 306 HA GLN 631 HA GLN 631 -11.670 -4.587 -0.425 307 1HB GLN 631 1HB GLN 631 -10.952 -6.929 -0.593 308 2HB GLN 631 2HB GLN 631 -10.554 -6.935 1.120 309 1HG GLN 631 1HG GLN 631 -13.021 -6.299 1.475 310 2HG GLN 631 2HG GLN 631 -13.242 -6.844 -0.187 311 2HE2 GLN 631 2HE2 GLN 631 -14.118 -8.778 -0.171 312 1HE2 GLN 631 1HE2 GLN 631 -13.665 -10.097 0.850 313 H SER 632 H SER 632 -12.812 -3.285 0.816 314 HA SER 632 HA SER 632 -12.484 -3.423 3.727 315 1HB SER 632 1HB SER 632 -12.998 -0.731 2.590 316 2HB SER 632 2HB SER 632 -12.048 -1.199 4.000 317 HG SER 632 HG SER 632 -11.266 -1.538 1.291 318 H GLU 633 H GLU 633 -14.304 -2.117 4.801 319 HA GLU 633 HA GLU 633 -16.503 -1.676 5.166 320 1HB GLU 633 1HB GLU 633 -16.265 -0.949 2.582 321 2HB GLU 633 2HB GLU 633 -17.414 -2.269 2.414 322 1HG GLU 633 1HG GLU 633 -18.168 -0.557 4.592 323 2HG GLU 633 2HG GLU 633 -17.946 0.378 3.115 324 H ASP 634 H ASP 634 -16.258 -4.303 2.739 325 HA ASP 634 HA ASP 634 -16.912 -6.375 4.462 326 1HB ASP 634 1HB ASP 634 -19.210 -6.726 4.311 327 2HB ASP 634 2HB ASP 634 -19.108 -4.974 4.463 328 H LYS 635 H LYS 635 -16.887 -5.050 1.255 329 HA LYS 635 HA LYS 635 -15.683 -7.321 0.119 330 1HB LYS 635 1HB LYS 635 -18.141 -8.058 0.476 331 2HB LYS 635 2HB LYS 635 -18.498 -7.005 -0.885 332 1HG LYS 635 1HG LYS 635 -18.261 -9.224 -1.710 333 2HG LYS 635 2HG LYS 635 -16.853 -8.299 -2.234 334 1HD LYS 635 1HD LYS 635 -16.061 -10.414 -1.486 335 2HD LYS 635 2HD LYS 635 -15.626 -9.233 -0.249 336 1HE LYS 635 1HE LYS 635 -17.126 -10.063 1.267 337 2HE LYS 635 2HE LYS 635 -18.219 -10.662 0.021 338 1HZ LYS 635 1HZ LYS 635 -15.739 -12.020 -0.107 339 2HZ LYS 635 2HZ LYS 635 -16.367 -12.118 1.461 340 3HZ LYS 635 3HZ LYS 635 -17.288 -12.652 0.146 341 H LYS 636 H LYS 636 -15.955 -4.238 0.159 342 HA LYS 636 HA LYS 636 -16.112 -3.763 -2.727 343 1HB LYS 636 1HB LYS 636 -16.797 -2.233 -0.391 344 2HB LYS 636 2HB LYS 636 -15.639 -1.340 -1.365 345 1HG LYS 636 1HG LYS 636 -17.940 -2.582 -2.759 346 2HG LYS 636 2HG LYS 636 -18.243 -1.160 -1.761 347 1HD LYS 636 1HD LYS 636 -17.485 0.141 -3.394 348 2HD LYS 636 2HD LYS 636 -15.915 -0.658 -3.300 349 1HE LYS 636 1HE LYS 636 -16.678 -0.852 -5.546 350 2HE LYS 636 2HE LYS 636 -16.832 -2.441 -4.797 351 1HZ LYS 636 1HZ LYS 636 -19.214 -1.825 -4.364 352 2HZ LYS 636 2HZ LYS 636 -18.987 -0.496 -5.387 353 3HZ LYS 636 3HZ LYS 636 -18.810 -2.068 -5.988 354 H TRP 637 H TRP 637 -14.304 -3.730 -3.877 355 HA TRP 637 HA TRP 637 -11.748 -3.347 -2.499 356 1HB TRP 637 1HB TRP 637 -12.235 -4.301 -5.327 357 2HB TRP 637 2HB TRP 637 -10.708 -4.337 -4.456 358 HD1 TRP 637 HD1 TRP 637 -13.354 -5.468 -2.143 359 HE1 TRP 637 HE1 TRP 637 -13.395 -8.036 -2.003 360 HE3 TRP 637 HE3 TRP 637 -10.405 -6.548 -6.177 361 HZ2 TRP 637 HZ2 TRP 637 -12.316 -10.232 -3.413 362 HZ3 TRP 637 HZ3 TRP 637 -9.956 -8.907 -6.712 363 HH2 TRP 637 HH2 TRP 637 -10.892 -10.710 -5.357 364 H PHE 638 H PHE 638 -10.394 -1.677 -2.908 365 HA PHE 638 HA PHE 638 -11.055 0.137 -5.123 366 1HB PHE 638 1HB PHE 638 -9.979 1.439 -2.703 367 2HB PHE 638 2HB PHE 638 -11.187 2.006 -3.843 368 HD1 PHE 638 HD1 PHE 638 -13.519 0.861 -3.687 369 HD2 PHE 638 HD2 PHE 638 -10.605 0.820 -0.587 370 HE1 PHE 638 HE1 PHE 638 -15.286 0.412 -2.035 371 HE2 PHE 638 HE2 PHE 638 -12.365 0.370 1.070 372 HZ PHE 638 HZ PHE 638 -14.710 0.163 0.346 373 H THR 639 H THR 639 -9.231 1.765 -5.429 374 HA THR 639 HA THR 639 -6.689 0.300 -5.388 375 HB THR 639 HB THR 639 -6.092 2.383 -6.934 376 HG1 THR 639 HG1 THR 639 -8.318 2.503 -8.185 377 1HG2 THR 639 1HG2 THR 639 -7.325 -0.236 -7.483 378 2HG2 THR 639 2HG2 THR 639 -7.379 0.920 -8.814 379 3HG2 THR 639 3HG2 THR 639 -5.831 0.467 -8.103 380 HA PRO 640 HA PRO 640 -4.537 2.841 -2.468 381 1HB PRO 640 1HB PRO 640 -2.954 3.968 -4.747 382 2HB PRO 640 2HB PRO 640 -2.393 3.354 -3.187 383 1HG PRO 640 1HG PRO 640 -2.161 1.858 -5.362 384 2HG PRO 640 2HG PRO 640 -2.653 1.130 -3.822 385 1HD PRO 640 1HD PRO 640 -4.291 1.755 -6.232 386 2HD PRO 640 2HD PRO 640 -4.460 0.429 -5.062 387 H ARG 641 H ARG 641 -5.982 4.259 -5.270 388 HA ARG 641 HA ARG 641 -5.823 6.972 -4.230 389 1HB ARG 641 1HB ARG 641 -5.564 6.890 -6.570 390 2HB ARG 641 2HB ARG 641 -6.886 5.749 -6.765 391 1HG ARG 641 1HG ARG 641 -7.616 7.856 -7.580 392 2HG ARG 641 2HG ARG 641 -8.452 7.557 -6.054 393 1HD ARG 641 1HD ARG 641 -6.561 8.909 -4.979 394 2HD ARG 641 2HD ARG 641 -6.181 9.436 -6.617 395 HE ARG 641 HE ARG 641 -8.938 9.800 -5.959 396 1HH1 ARG 641 1HH1 ARG 641 -5.753 11.179 -5.635 397 2HH1 ARG 641 2HH1 ARG 641 -6.334 12.801 -5.451 398 1HH2 ARG 641 1HH2 ARG 641 -9.711 11.930 -5.715 399 2HH2 ARG 641 2HH2 ARG 641 -8.584 13.227 -5.496 400 H GLU 642 H GLU 642 -8.496 4.895 -5.382 401 HA GLU 642 HA GLU 642 -10.564 6.365 -4.219 402 1HB GLU 642 1HB GLU 642 -10.257 3.665 -5.370 403 2HB GLU 642 2HB GLU 642 -11.600 3.852 -4.251 404 1HG GLU 642 1HG GLU 642 -12.812 4.885 -5.784 405 2HG GLU 642 2HG GLU 642 -11.531 6.063 -6.075 406 H PHE 643 H PHE 643 -8.361 4.116 -2.818 407 HA PHE 643 HA PHE 643 -9.934 3.560 -0.477 408 1HB PHE 643 1HB PHE 643 -8.219 1.983 -1.403 409 2HB PHE 643 2HB PHE 643 -6.972 3.121 -0.907 410 HD1 PHE 643 HD1 PHE 643 -5.791 2.034 0.772 411 HD2 PHE 643 HD2 PHE 643 -10.046 2.044 0.881 412 HE1 PHE 643 HE1 PHE 643 -5.733 0.992 3.000 413 HE2 PHE 643 HE2 PHE 643 -9.994 1.001 3.111 414 HZ PHE 643 HZ PHE 643 -7.810 0.464 4.165 415 H GLU 644 H GLU 644 -7.282 5.693 -1.360 416 HA GLU 644 HA GLU 644 -6.679 6.708 1.182 417 1HB GLU 644 1HB GLU 644 -5.166 7.177 -0.586 418 2HB GLU 644 2HB GLU 644 -6.433 7.859 -1.594 419 1HG GLU 644 1HG GLU 644 -6.362 9.391 0.766 420 2HG GLU 644 2HG GLU 644 -4.692 9.164 0.247 421 H ILE 645 H ILE 645 -9.174 7.466 -1.133 422 HA ILE 645 HA ILE 645 -10.097 9.874 0.017 423 HB ILE 645 HB ILE 645 -11.306 7.849 -1.835 424 1HG1 ILE 645 1HG1 ILE 645 -11.099 10.764 -2.404 425 2HG1 ILE 645 2HG1 ILE 645 -9.601 9.840 -2.330 426 1HG2 ILE 645 1HG2 ILE 645 -12.719 10.121 -0.487 427 2HG2 ILE 645 2HG2 ILE 645 -13.216 9.538 -2.075 428 3HG2 ILE 645 3HG2 ILE 645 -13.243 8.449 -0.687 429 1HD1 ILE 645 1HD1 ILE 645 -11.803 8.743 -3.975 430 2HD1 ILE 645 2HD1 ILE 645 -10.956 10.169 -4.574 431 3HD1 ILE 645 3HD1 ILE 645 -10.059 8.691 -4.227 432 H GLU 646 H GLU 646 -10.980 6.482 0.510 433 HA GLU 646 HA GLU 646 -13.160 6.972 2.247 434 1HB GLU 646 1HB GLU 646 -12.425 4.805 0.962 435 2HB GLU 646 2HB GLU 646 -11.515 4.479 2.430 436 1HG GLU 646 1HG GLU 646 -13.327 3.757 3.466 437 2HG GLU 646 2HG GLU 646 -14.198 5.244 3.088 438 H GLY 647 H GLY 647 -9.715 6.796 2.732 439 1HA GLY 647 1HA GLY 647 -8.511 6.590 4.754 440 2HA GLY 647 2HA GLY 647 -10.024 6.698 5.638 441 H ASP 648 H ASP 648 -9.894 9.046 3.255 442 HA ASP 648 HA ASP 648 -9.317 11.087 5.265 443 1HB ASP 648 1HB ASP 648 -7.552 10.407 3.095 444 2HB ASP 648 2HB ASP 648 -8.153 12.048 2.883 445 H ARG 649 H ARG 649 -9.660 11.288 1.741 446 HA ARG 649 HA ARG 649 -12.358 11.869 1.556 447 1HB ARG 649 1HB ARG 649 -11.815 13.792 3.038 448 2HB ARG 649 2HB ARG 649 -10.721 14.397 1.801 449 1HG ARG 649 1HG ARG 649 -12.614 15.640 1.414 450 2HG ARG 649 2HG ARG 649 -12.818 14.310 0.273 451 1HD ARG 649 1HD ARG 649 -14.636 13.533 1.328 452 2HD ARG 649 2HD ARG 649 -13.918 13.758 2.921 453 HE ARG 649 HE ARG 649 -14.505 16.234 2.450 454 1HH1 ARG 649 1HH1 ARG 649 -16.382 13.458 1.495 455 2HH1 ARG 649 2HH1 ARG 649 -17.893 14.306 1.530 456 1HH2 ARG 649 1HH2 ARG 649 -16.488 17.358 2.499 457 2HH2 ARG 649 2HH2 ARG 649 -17.952 16.523 2.100 458 H GLY 650 H GLY 650 -9.179 12.923 0.426 459 1HA GLY 650 1HA GLY 650 -10.190 13.018 -2.326 460 2HA GLY 650 2HA GLY 650 -8.880 11.906 -1.956 461 H ALA 651 H ALA 651 -9.119 14.953 -0.321 462 HA ALA 651 HA ALA 651 -7.452 16.426 -2.111 463 1HB ALA 651 1HB ALA 651 -7.320 17.587 0.454 464 2HB ALA 651 2HB ALA 651 -8.309 18.091 -0.916 465 3HB ALA 651 3HB ALA 651 -8.954 16.952 0.265 466 H SER 652 H SER 652 -6.854 13.994 0.141 467 HA SER 652 HA SER 652 -4.443 14.714 1.320 468 1HB SER 652 1HB SER 652 -6.009 12.423 1.219 469 2HB SER 652 2HB SER 652 -4.480 11.916 0.500 470 HG SER 652 HG SER 652 -4.944 12.043 3.006 471 H LYS 653 H LYS 653 -5.139 13.675 -1.927 472 HA LYS 653 HA LYS 653 -3.910 13.589 -3.826 473 1HB LYS 653 1HB LYS 653 -3.188 15.868 -2.872 474 2HB LYS 653 2HB LYS 653 -1.695 15.060 -2.422 475 1HG LYS 653 1HG LYS 653 -1.185 16.002 -4.468 476 2HG LYS 653 2HG LYS 653 -1.599 14.340 -4.895 477 1HD LYS 653 1HD LYS 653 -3.930 16.061 -4.871 478 2HD LYS 653 2HD LYS 653 -2.688 16.657 -5.974 479 1HE LYS 653 1HE LYS 653 -2.637 14.569 -7.145 480 2HE LYS 653 2HE LYS 653 -3.693 13.817 -5.950 481 1HZ LYS 653 1HZ LYS 653 -4.536 16.133 -7.594 482 2HZ LYS 653 2HZ LYS 653 -4.776 14.533 -8.084 483 3HZ LYS 653 3HZ LYS 653 -5.510 15.103 -6.671 484 H ASN 654 H ASN 654 -1.121 13.594 -1.629 485 HA ASN 654 HA ASN 654 0.069 11.375 -2.912 486 1HB ASN 654 1HB ASN 654 1.056 13.308 -1.363 487 2HB ASN 654 2HB ASN 654 0.859 12.069 -0.126 488 2HD2 ASN 654 2HD2 ASN 654 2.121 10.238 -0.187 489 1HD2 ASN 654 1HD2 ASN 654 3.505 10.090 -1.210 490 H TRP 655 H TRP 655 -1.228 9.585 -2.904 491 HA TRP 655 HA TRP 655 -2.531 8.596 -0.568 492 1HB TRP 655 1HB TRP 655 -2.786 6.500 -2.019 493 2HB TRP 655 2HB TRP 655 -3.529 7.981 -2.616 494 HD1 TRP 655 HD1 TRP 655 -2.647 8.959 -4.888 495 HE1 TRP 655 HE1 TRP 655 -1.011 8.090 -6.674 496 HE3 TRP 655 HE3 TRP 655 -0.563 5.091 -2.271 497 HZ2 TRP 655 HZ2 TRP 655 0.909 6.036 -6.940 498 HZ3 TRP 655 HZ3 TRP 655 1.167 3.723 -3.365 499 HH2 TRP 655 HH2 TRP 655 1.885 4.187 -5.651 500 H LYS 656 H LYS 656 0.634 8.341 -1.848 501 HA LYS 656 HA LYS 656 1.418 5.858 -0.759 502 1HB LYS 656 1HB LYS 656 3.329 8.147 -1.076 503 2HB LYS 656 2HB LYS 656 3.598 6.433 -1.359 504 1HG LYS 656 1HG LYS 656 2.092 6.584 -3.333 505 2HG LYS 656 2HG LYS 656 2.017 8.329 -3.079 506 1HD LYS 656 1HD LYS 656 4.558 8.299 -3.202 507 2HD LYS 656 2HD LYS 656 4.402 6.651 -3.813 508 1HE LYS 656 1HE LYS 656 3.355 7.342 -5.768 509 2HE LYS 656 2HE LYS 656 2.865 8.888 -5.075 510 1HZ LYS 656 1HZ LYS 656 5.692 8.636 -5.083 511 2HZ LYS 656 2HZ LYS 656 5.078 8.399 -6.641 512 3HZ LYS 656 3HZ LYS 656 4.722 9.823 -5.801 513 H LEU 657 H LEU 657 0.769 8.869 0.709 514 HA LEU 657 HA LEU 657 2.207 8.048 3.146 515 1HB LEU 657 1HB LEU 657 1.438 10.754 2.092 516 2HB LEU 657 2HB LEU 657 1.838 10.513 3.782 517 HG LEU 657 HG LEU 657 3.719 9.781 1.545 518 1HD1 LEU 657 1HD1 LEU 657 2.977 12.284 1.795 519 2HD1 LEU 657 2HD1 LEU 657 4.067 12.245 3.180 520 3HD1 LEU 657 3HD1 LEU 657 4.674 11.864 1.568 521 1HD2 LEU 657 1HD2 LEU 657 3.809 8.944 4.066 522 2HD2 LEU 657 2HD2 LEU 657 5.264 9.339 3.151 523 3HD2 LEU 657 3HD2 LEU 657 4.588 10.512 4.282 524 H SER 658 H SER 658 -0.884 8.831 1.790 525 HA SER 658 HA SER 658 -2.250 9.243 4.259 526 1HB SER 658 1HB SER 658 -3.537 8.395 1.668 527 2HB SER 658 2HB SER 658 -4.236 9.355 2.972 528 HG SER 658 HG SER 658 -2.317 10.816 2.365 529 H ILE 659 H ILE 659 -1.472 6.427 2.342 530 HA ILE 659 HA ILE 659 -3.099 4.772 4.161 531 HB ILE 659 HB ILE 659 -1.968 3.879 1.516 532 1HG1 ILE 659 1HG1 ILE 659 -4.807 4.781 2.010 533 2HG1 ILE 659 2HG1 ILE 659 -3.574 5.839 1.333 534 1HG2 ILE 659 1HG2 ILE 659 -3.652 2.686 3.618 535 2HG2 ILE 659 2HG2 ILE 659 -4.162 2.380 1.957 536 3HG2 ILE 659 3HG2 ILE 659 -2.540 1.924 2.481 537 1HD1 ILE 659 1HD1 ILE 659 -3.955 3.222 0.019 538 2HD1 ILE 659 2HD1 ILE 659 -5.241 4.415 -0.166 539 3HD1 ILE 659 3HD1 ILE 659 -3.598 4.804 -0.674 540 H ARG 660 H ARG 660 -2.193 3.050 5.225 541 HA ARG 660 HA ARG 660 0.744 2.878 5.123 542 1HB ARG 660 1HB ARG 660 -0.758 1.862 7.487 543 2HB ARG 660 2HB ARG 660 0.841 2.586 7.401 544 1HG ARG 660 1HG ARG 660 -0.364 4.776 6.882 545 2HG ARG 660 2HG ARG 660 -1.829 3.952 7.426 546 1HD ARG 660 1HD ARG 660 -1.176 3.936 9.595 547 2HD ARG 660 2HD ARG 660 0.529 3.743 9.193 548 HE ARG 660 HE ARG 660 -0.352 6.319 8.449 549 1HH1 ARG 660 1HH1 ARG 660 0.415 4.410 11.262 550 2HH1 ARG 660 2HH1 ARG 660 0.865 5.777 12.225 551 1HH2 ARG 660 1HH2 ARG 660 0.245 8.123 9.708 552 2HH2 ARG 660 2HH2 ARG 660 0.768 7.887 11.342 553 H CYS 661 H CYS 661 1.613 0.695 5.775 554 HA CYS 661 HA CYS 661 -0.178 -1.504 5.030 555 1HB CYS 661 1HB CYS 661 1.442 -0.525 3.144 556 2HB CYS 661 2HB CYS 661 2.590 -1.595 3.942 557 HG CYS 661 HG CYS 661 1.079 -3.904 3.541 558 H GLY 662 H GLY 662 -0.208 -2.437 7.024 559 1HA GLY 662 1HA GLY 662 1.951 -4.079 7.795 560 2HA GLY 662 2HA GLY 662 0.529 -3.742 8.766 561 H GLY 663 H GLY 663 1.988 -0.856 7.954 562 1HA GLY 663 1HA GLY 663 4.028 -0.831 9.982 563 2HA GLY 663 2HA GLY 663 2.572 0.034 10.449 564 H TYR 664 H TYR 664 4.626 -0.242 7.540 565 HA TYR 664 HA TYR 664 4.925 2.667 7.546 566 1HB TYR 664 1HB TYR 664 6.343 0.626 5.824 567 2HB TYR 664 2HB TYR 664 6.756 2.329 5.996 568 HD1 TYR 664 HD1 TYR 664 7.680 -0.866 6.959 569 HD2 TYR 664 HD2 TYR 664 7.114 3.023 8.591 570 HE1 TYR 664 HE1 TYR 664 9.199 -1.428 8.810 571 HE2 TYR 664 HE2 TYR 664 8.632 2.473 10.446 572 HH TYR 664 HH TYR 664 10.750 0.079 10.441 573 H THR 665 H THR 665 4.262 3.963 5.888 574 HA THR 665 HA THR 665 2.081 3.074 4.299 575 HB THR 665 HB THR 665 2.020 5.307 3.391 576 HG1 THR 665 HG1 THR 665 4.623 5.566 4.522 577 1HG2 THR 665 1HG2 THR 665 2.555 4.997 6.306 578 2HG2 THR 665 2HG2 THR 665 2.385 6.624 5.649 579 3HG2 THR 665 3HG2 THR 665 1.070 5.462 5.477 580 H LEU 666 H LEU 666 2.023 3.472 1.872 581 HA LEU 666 HA LEU 666 3.832 1.801 0.573 582 1HB LEU 666 1HB LEU 666 2.115 4.005 -0.573 583 2HB LEU 666 2HB LEU 666 3.000 2.849 -1.548 584 HG LEU 666 HG LEU 666 0.871 1.950 -1.550 585 1HD1 LEU 666 1HD1 LEU 666 2.775 0.500 -0.322 586 2HD1 LEU 666 2HD1 LEU 666 1.555 0.533 0.952 587 3HD1 LEU 666 3HD1 LEU 666 1.148 -0.102 -0.642 588 1HD2 LEU 666 1HD2 LEU 666 0.671 3.308 1.037 589 2HD2 LEU 666 2HD2 LEU 666 -0.546 3.055 -0.215 590 3HD2 LEU 666 3HD2 LEU 666 -0.198 1.775 0.948 591 H LYS 667 H LYS 667 4.051 5.160 1.365 592 HA LYS 667 HA LYS 667 5.949 6.047 -0.475 593 1HB LYS 667 1HB LYS 667 4.644 7.162 1.636 594 2HB LYS 667 2HB LYS 667 6.265 7.015 2.299 595 1HG LYS 667 1HG LYS 667 6.135 8.145 -0.406 596 2HG LYS 667 2HG LYS 667 5.379 9.120 0.857 597 1HD LYS 667 1HD LYS 667 7.361 9.429 1.991 598 2HD LYS 667 2HD LYS 667 8.090 7.965 1.330 599 1HE LYS 667 1HE LYS 667 7.753 9.370 -0.933 600 2HE LYS 667 2HE LYS 667 7.952 10.696 0.212 601 1HZ LYS 667 1HZ LYS 667 10.035 9.694 0.940 602 2HZ LYS 667 2HZ LYS 667 9.846 8.442 -0.183 603 3HZ LYS 667 3HZ LYS 667 10.071 10.031 -0.718 604 H VAL 668 H VAL 668 6.450 4.722 2.788 605 HA VAL 668 HA VAL 668 9.297 4.522 2.423 606 HB VAL 668 HB VAL 668 7.527 3.415 4.610 607 1HG1 VAL 668 1HG1 VAL 668 10.100 2.660 4.017 608 2HG1 VAL 668 2HG1 VAL 668 10.329 3.912 5.237 609 3HG1 VAL 668 3HG1 VAL 668 9.318 2.510 5.589 610 1HG2 VAL 668 1HG2 VAL 668 8.433 6.067 4.033 611 2HG2 VAL 668 2HG2 VAL 668 7.417 5.504 5.360 612 3HG2 VAL 668 3HG2 VAL 668 9.172 5.506 5.534 613 H LEU 669 H LEU 669 6.530 2.362 2.295 614 HA LEU 669 HA LEU 669 7.921 -0.079 2.205 615 1HB LEU 669 1HB LEU 669 5.245 0.784 2.071 616 2HB LEU 669 2HB LEU 669 5.522 -0.160 0.621 617 HG LEU 669 HG LEU 669 6.519 -1.919 2.270 618 1HD1 LEU 669 1HD1 LEU 669 5.346 0.077 4.057 619 2HD1 LEU 669 2HD1 LEU 669 4.812 -1.575 4.365 620 3HD1 LEU 669 3HD1 LEU 669 6.532 -1.187 4.386 621 1HD2 LEU 669 1HD2 LEU 669 3.615 -1.298 1.844 622 2HD2 LEU 669 2HD2 LEU 669 4.622 -2.484 1.016 623 3HD2 LEU 669 3HD2 LEU 669 4.146 -2.749 2.693 624 H MET 670 H MET 670 7.254 2.335 -0.218 625 HA MET 670 HA MET 670 8.043 0.588 -2.396 626 1HB MET 670 1HB MET 670 7.431 2.307 -3.859 627 2HB MET 670 2HB MET 670 6.289 2.472 -2.533 628 1HG MET 670 1HG MET 670 7.966 4.186 -1.598 629 2HG MET 670 2HG MET 670 8.627 4.196 -3.229 630 1HE MET 670 1HE MET 670 6.788 4.195 -5.292 631 2HE MET 670 2HE MET 670 5.347 3.560 -4.498 632 3HE MET 670 3HE MET 670 5.313 5.161 -5.236 633 H GLU 671 H GLU 671 9.508 2.561 -0.115 634 HA GLU 671 HA GLU 671 11.879 3.084 -1.736 635 1HB GLU 671 1HB GLU 671 10.626 4.400 0.457 636 2HB GLU 671 2HB GLU 671 12.225 3.892 0.981 637 1HG GLU 671 1HG GLU 671 12.808 4.942 -1.436 638 2HG GLU 671 2HG GLU 671 11.432 5.940 -0.967 639 H ASN 672 H ASN 672 10.676 0.901 0.638 640 HA ASN 672 HA ASN 672 13.245 0.046 1.602 641 1HB ASN 672 1HB ASN 672 10.476 -1.135 1.912 642 2HB ASN 672 2HB ASN 672 11.916 -1.783 2.689 643 2HD2 ASN 672 2HD2 ASN 672 9.546 -0.800 3.944 644 1HD2 ASN 672 1HD2 ASN 672 10.008 0.535 4.938 645 H LYS 673 H LYS 673 10.707 -1.953 0.143 646 HA LYS 673 HA LYS 673 11.937 -2.794 -2.171 647 1HB LYS 673 1HB LYS 673 12.945 -4.965 -1.529 648 2HB LYS 673 2HB LYS 673 13.808 -3.592 -0.849 649 1HG LYS 673 1HG LYS 673 11.742 -4.575 0.932 650 2HG LYS 673 2HG LYS 673 12.926 -5.817 0.523 651 1HD LYS 673 1HD LYS 673 14.094 -3.205 1.141 652 2HD LYS 673 2HD LYS 673 13.222 -3.940 2.487 653 1HE LYS 673 1HE LYS 673 15.405 -5.259 0.876 654 2HE LYS 673 2HE LYS 673 15.599 -4.552 2.480 655 1HZ LYS 673 1HZ LYS 673 13.487 -6.293 2.706 656 2HZ LYS 673 2HZ LYS 673 14.615 -7.119 1.756 657 3HZ LYS 673 3HZ LYS 673 15.060 -6.535 3.279 658 H PHE 674 H PHE 674 9.841 -3.356 0.473 659 HA PHE 674 HA PHE 674 8.586 -5.722 -0.029 660 1HB PHE 674 1HB PHE 674 7.246 -3.133 0.770 661 2HB PHE 674 2HB PHE 674 6.577 -4.747 0.993 662 HD1 PHE 674 HD1 PHE 674 8.487 -2.163 2.456 663 HD2 PHE 674 HD2 PHE 674 8.003 -6.390 2.398 664 HE1 PHE 674 HE1 PHE 674 9.603 -2.318 4.643 665 HE2 PHE 674 HE2 PHE 674 9.117 -6.552 4.585 666 HZ PHE 674 HZ PHE 674 9.918 -4.514 5.711 667 H LEU 675 H LEU 675 7.922 -2.632 -1.654 668 HA LEU 675 HA LEU 675 5.862 -3.805 -3.291 669 1HB LEU 675 1HB LEU 675 5.233 -1.686 -3.458 670 2HB LEU 675 2HB LEU 675 6.655 -1.197 -2.560 671 HG LEU 675 HG LEU 675 6.791 -1.617 -5.528 672 1HD1 LEU 675 1HD1 LEU 675 5.354 0.474 -4.087 673 2HD1 LEU 675 2HD1 LEU 675 6.569 1.090 -5.206 674 3HD1 LEU 675 3HD1 LEU 675 5.294 0.020 -5.790 675 1HD2 LEU 675 1HD2 LEU 675 8.585 -0.795 -3.460 676 2HD2 LEU 675 2HD2 LEU 675 8.905 -1.043 -5.176 677 3HD2 LEU 675 3HD2 LEU 675 8.357 0.531 -4.600 678 HA PRO 676 HA PRO 676 8.254 -5.203 -6.712 679 1HB PRO 676 1HB PRO 676 6.716 -4.509 -8.846 680 2HB PRO 676 2HB PRO 676 6.311 -5.835 -7.751 681 1HG PRO 676 1HG PRO 676 5.276 -3.024 -7.784 682 2HG PRO 676 2HG PRO 676 4.381 -4.541 -7.576 683 1HD PRO 676 1HD PRO 676 5.039 -2.978 -5.484 684 2HD PRO 676 2HD PRO 676 5.000 -4.749 -5.357 685 H GLU 677 H GLU 677 7.075 -1.866 -7.035 686 HA GLU 677 HA GLU 677 8.667 -1.022 -9.140 687 1HB GLU 677 1HB GLU 677 7.511 0.841 -8.735 688 2HB GLU 677 2HB GLU 677 6.974 0.182 -7.199 689 1HG GLU 677 1HG GLU 677 8.856 1.145 -6.067 690 2HG GLU 677 2HG GLU 677 9.552 1.683 -7.594 691 HA PRO 678 HA PRO 678 12.937 -0.807 -8.114 692 1HB PRO 678 1HB PRO 678 13.244 2.029 -8.101 693 2HB PRO 678 2HB PRO 678 13.642 0.906 -9.402 694 1HG PRO 678 1HG PRO 678 11.225 2.580 -9.022 695 2HG PRO 678 2HG PRO 678 11.969 1.997 -10.521 696 1HD PRO 678 1HD PRO 678 9.682 0.950 -9.602 697 2HD PRO 678 2HD PRO 678 10.910 -0.069 -10.387 698 HA PRO 679 HA PRO 679 12.583 -0.211 -3.675 699 1HB PRO 679 1HB PRO 679 15.077 -1.145 -3.069 700 2HB PRO 679 2HB PRO 679 13.695 -2.196 -3.399 701 1HG PRO 679 1HG PRO 679 15.916 -1.361 -5.224 702 2HG PRO 679 2HG PRO 679 15.182 -2.961 -5.013 703 1HD PRO 679 1HD PRO 679 14.538 -1.368 -7.083 704 2HD PRO 679 2HD PRO 679 13.342 -2.427 -6.310 705 H SER 680 H SER 680 14.497 1.442 -5.869 706 HA SER 680 HA SER 680 15.624 3.412 -5.808 707 1HB SER 680 1HB SER 680 13.644 4.164 -4.507 708 2HB SER 680 2HB SER 680 14.473 3.694 -3.022 709 HG SER 680 HG SER 680 15.332 5.600 -3.087 710 H THR 681 H THR 681 15.900 2.872 -2.327 711 HA THR 681 HA THR 681 17.682 2.500 -0.964 712 HB THR 681 HB THR 681 19.004 1.270 -3.392 713 HG1 THR 681 HG1 THR 681 17.750 -0.225 -1.365 714 1HG2 THR 681 1HG2 THR 681 20.515 1.805 -1.494 715 2HG2 THR 681 2HG2 THR 681 19.512 0.797 -0.453 716 3HG2 THR 681 3HG2 THR 681 20.381 0.075 -1.807 717 H ARG 682 H ARG 682 18.318 4.566 -0.522 718 HA ARG 682 HA ARG 682 20.359 5.742 -2.289 719 1HB ARG 682 1HB ARG 682 18.560 7.150 -0.307 720 2HB ARG 682 2HB ARG 682 19.726 7.920 -1.378 721 1HG ARG 682 1HG ARG 682 18.460 7.384 -3.300 722 2HG ARG 682 2HG ARG 682 17.423 6.280 -2.394 723 1HD ARG 682 1HD ARG 682 16.652 8.245 -1.051 724 2HD ARG 682 2HD ARG 682 17.551 9.281 -2.158 725 HE ARG 682 HE ARG 682 15.919 7.738 -3.746 726 1HH1 ARG 682 1HH1 ARG 682 15.488 10.016 -1.145 727 2HH1 ARG 682 2HH1 ARG 682 13.938 10.554 -1.701 728 1HH2 ARG 682 1HH2 ARG 682 13.878 8.441 -4.487 729 2HH2 ARG 682 2HH2 ARG 682 13.023 9.659 -3.600 730 H LYS 683 H LYS 683 19.618 6.672 1.028 731 HA LYS 683 HA LYS 683 21.827 5.307 2.201 732 1HB LYS 683 1HB LYS 683 22.556 7.578 0.820 733 2HB LYS 683 2HB LYS 683 22.368 8.170 2.465 734 1HG LYS 683 1HG LYS 683 23.800 5.767 2.665 735 2HG LYS 683 2HG LYS 683 24.508 6.658 1.315 736 1HD LYS 683 1HD LYS 683 25.572 7.979 2.752 737 2HD LYS 683 2HD LYS 683 24.023 8.506 3.411 738 1HE LYS 683 1HE LYS 683 24.026 6.681 4.991 739 2HE LYS 683 2HE LYS 683 25.494 6.019 4.274 740 1HZ LYS 683 1HZ LYS 683 26.056 8.648 4.942 741 2HZ LYS 683 2HZ LYS 683 25.237 7.997 6.273 742 3HZ LYS 683 3HZ LYS 683 26.640 7.251 5.694 743 H LYS 684 H LYS 684 20.383 8.526 2.723 744 HA LYS 684 HA LYS 684 19.300 7.518 5.269 745 1HB LYS 684 1HB LYS 684 20.577 10.205 4.740 746 2HB LYS 684 2HB LYS 684 19.728 9.784 6.220 747 1HG LYS 684 1HG LYS 684 21.694 7.788 5.683 748 2HG LYS 684 2HG LYS 684 22.442 9.384 5.592 749 1HD LYS 684 1HD LYS 684 20.970 9.705 7.813 750 2HD LYS 684 2HD LYS 684 21.257 7.968 7.901 751 1HE LYS 684 1HE LYS 684 22.945 9.469 9.066 752 2HE LYS 684 2HE LYS 684 23.589 8.247 7.969 753 1HZ LYS 684 1HZ LYS 684 23.105 11.059 7.163 754 2HZ LYS 684 2HZ LYS 684 24.592 10.507 7.753 755 3HZ LYS 684 3HZ LYS 684 23.966 9.878 6.314 756 H VAL 685 H VAL 685 17.188 7.792 5.524 757 HA VAL 685 HA VAL 685 15.508 8.808 3.545 758 HB VAL 685 HB VAL 685 14.812 7.215 5.329 759 1HG1 VAL 685 1HG1 VAL 685 15.037 9.678 7.031 760 2HG1 VAL 685 2HG1 VAL 685 13.984 8.333 7.474 761 3HG1 VAL 685 3HG1 VAL 685 15.721 8.076 7.308 762 1HG2 VAL 685 1HG2 VAL 685 13.323 9.358 4.193 763 2HG2 VAL 685 2HG2 VAL 685 12.770 7.744 4.643 764 3HG2 VAL 685 3HG2 VAL 685 12.719 9.056 5.823 765 H THR 686 H THR 686 14.172 10.688 3.491 766 HA THR 686 HA THR 686 15.194 12.942 5.091 767 HB THR 686 HB THR 686 14.827 14.424 3.156 768 HG1 THR 686 HG1 THR 686 14.495 12.053 1.618 769 1HG2 THR 686 1HG2 THR 686 16.863 12.415 3.406 770 2HG2 THR 686 2HG2 THR 686 16.582 12.774 1.703 771 3HG2 THR 686 3HG2 THR 686 17.002 14.073 2.820 772 H ILE 687 H ILE 687 13.720 13.964 6.234 773 HA ILE 687 HA ILE 687 11.693 14.370 7.212 774 HB ILE 687 HB ILE 687 12.030 16.113 5.417 775 1HG1 ILE 687 1HG1 ILE 687 9.111 15.955 5.664 776 2HG1 ILE 687 2HG1 ILE 687 9.968 15.703 7.182 777 1HG2 ILE 687 1HG2 ILE 687 10.086 14.346 3.961 778 2HG2 ILE 687 2HG2 ILE 687 10.311 16.051 3.573 779 3HG2 ILE 687 3HG2 ILE 687 11.660 14.926 3.414 780 1HD1 ILE 687 1HD1 ILE 687 11.170 17.913 5.919 781 2HD1 ILE 687 2HD1 ILE 687 9.423 18.134 5.815 782 3HD1 ILE 687 3HD1 ILE 687 10.189 17.888 7.384 783 H LYS 688 H LYS 688 11.882 11.639 6.423 784 HA LYS 688 HA LYS 688 10.609 9.769 6.182 785 1HB LYS 688 1HB LYS 688 8.823 11.762 7.449 786 2HB LYS 688 2HB LYS 688 8.036 10.351 6.756 787 1HG LYS 688 1HG LYS 688 10.388 9.962 8.541 788 2HG LYS 688 2HG LYS 688 8.821 10.362 9.249 789 1HD LYS 688 1HD LYS 688 8.953 8.183 7.222 790 2HD LYS 688 2HD LYS 688 9.551 7.857 8.850 791 1HE LYS 688 1HE LYS 688 6.870 9.124 8.454 792 2HE LYS 688 2HE LYS 688 7.061 7.381 8.270 793 1HZ LYS 688 1HZ LYS 688 8.345 7.949 10.607 794 2HZ LYS 688 2HZ LYS 688 6.988 8.958 10.655 795 3HZ LYS 688 3HZ LYS 688 6.793 7.289 10.463 No H/Q in entry = 795
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