NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
1405 | 1ajy | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 30 3H MET 30 15.869 -17.321 -31.528 2 2H MET 30 2H MET 30 16.706 -15.849 -31.666 3 3H MET 30 1H MET 30 16.461 -16.551 -30.138 4 HA MET 30 HA MET 30 14.135 -16.115 -30.196 5 1HB MET 30 2HB MET 30 16.169 -14.040 -30.833 6 2HB MET 30 1HB MET 30 14.482 -13.528 -30.922 7 1HG MET 30 2HG MET 30 14.263 -14.732 -28.610 8 2HG MET 30 1HG MET 30 16.017 -14.566 -28.553 9 1HE MET 30 3HE MET 30 14.863 -13.380 -26.271 10 2HE MET 30 2HE MET 30 16.504 -12.948 -26.743 11 3HE MET 30 1HE MET 30 15.379 -11.689 -26.239 12 H SER 31 H SER 31 12.387 -14.871 -31.462 13 HA SER 31 HA SER 31 12.669 -14.665 -34.360 14 1HB SER 31 2HB SER 31 12.596 -17.094 -34.088 15 2HB SER 31 1HB SER 31 11.153 -16.967 -33.087 16 HG SER 31 HG SER 31 10.109 -16.028 -34.925 17 H VAL 32 H VAL 32 11.763 -12.549 -33.725 18 HA VAL 32 HA VAL 32 9.119 -12.390 -32.497 19 HB VAL 32 HB VAL 32 10.844 -10.383 -33.985 20 1HG1 VAL 32 2HG1 VAL 32 8.378 -10.095 -32.256 21 2HG1 VAL 32 1HG1 VAL 32 9.478 -8.752 -32.571 22 3HG1 VAL 32 3HG1 VAL 32 8.616 -9.518 -33.905 23 1HG2 VAL 32 2HG2 VAL 32 11.618 -11.625 -31.776 24 2HG2 VAL 32 1HG2 VAL 32 11.865 -9.888 -31.953 25 3HG2 VAL 32 3HG2 VAL 32 10.505 -10.494 -31.007 26 H ALA 33 H ALA 33 7.152 -11.940 -33.575 27 HA ALA 33 HA ALA 33 7.220 -11.930 -36.570 28 1HB ALA 33 1HB ALA 33 6.621 -14.120 -35.050 29 2HB ALA 33 3HB ALA 33 5.022 -13.398 -35.229 30 3HB ALA 33 2HB ALA 33 5.956 -13.838 -36.659 31 H CYS 34 H CYS 34 5.258 -10.975 -37.515 32 HA CYS 34 HA CYS 34 4.291 -8.662 -36.093 33 1HB CYS 34 2HB CYS 34 3.242 -10.073 -38.566 34 2HB CYS 34 1HB CYS 34 2.913 -8.402 -38.115 35 H LEU 35 H LEU 35 1.700 -8.375 -36.161 36 HA LEU 35 HA LEU 35 0.629 -10.246 -34.227 37 1HB LEU 35 2HB LEU 35 -0.099 -7.742 -35.602 38 2HB LEU 35 1HB LEU 35 -1.477 -8.750 -35.163 39 HG LEU 35 HG LEU 35 0.731 -7.990 -33.233 40 1HD1 LEU 35 1HD1 LEU 35 -1.978 -6.743 -33.757 41 2HD1 LEU 35 3HD1 LEU 35 -1.072 -6.480 -32.268 42 3HD1 LEU 35 2HD1 LEU 35 -0.403 -5.952 -33.812 43 1HD2 LEU 35 1HD2 LEU 35 -1.169 -10.009 -33.127 44 2HD2 LEU 35 3HD2 LEU 35 -0.346 -9.306 -31.735 45 3HD2 LEU 35 2HD2 LEU 35 -1.928 -8.700 -32.222 46 H SER 36 H SER 36 0.415 -9.863 -37.697 47 HA SER 36 HA SER 36 -1.823 -11.703 -38.063 48 1HB SER 36 2HB SER 36 -0.026 -9.998 -39.629 49 2HB SER 36 1HB SER 36 -0.384 -11.518 -40.442 50 HG SER 36 HG SER 36 -2.041 -9.392 -39.776 51 H CYS 37 H CYS 37 1.717 -11.889 -38.175 52 HA CYS 37 HA CYS 37 1.798 -14.659 -39.077 53 1HB CYS 37 2HB CYS 37 3.863 -12.911 -37.692 54 2HB CYS 37 1HB CYS 37 4.198 -14.376 -38.612 55 H ARG 38 H ARG 38 1.261 -13.087 -36.044 56 HA ARG 38 HA ARG 38 2.224 -15.327 -34.393 57 1HB ARG 38 2HB ARG 38 2.279 -12.834 -33.846 58 2HB ARG 38 1HB ARG 38 0.531 -12.932 -33.632 59 1HG ARG 38 2HG ARG 38 1.680 -13.198 -31.472 60 2HG ARG 38 1HG ARG 38 0.844 -14.687 -31.917 61 1HD ARG 38 2HD ARG 38 2.884 -15.746 -32.596 62 2HD ARG 38 1HD ARG 38 3.773 -14.211 -32.543 63 HE ARG 38 HE ARG 38 2.636 -15.543 -30.111 64 1HH1 ARG 38 1HH2 ARG 38 3.726 -12.559 -30.662 65 2HH1 ARG 38 2HH2 ARG 38 5.184 -12.658 -29.734 66 1HH2 ARG 38 2HH1 ARG 38 5.031 -16.103 -29.368 67 2HH2 ARG 38 1HH1 ARG 38 5.923 -14.664 -29.001 68 H LYS 39 H LYS 39 -0.892 -13.992 -35.488 69 HA LYS 39 HA LYS 39 -2.497 -15.836 -33.908 70 1HB LYS 39 2HB LYS 39 -4.316 -14.912 -35.375 71 2HB LYS 39 1HB LYS 39 -3.336 -13.662 -34.610 72 1HG LYS 39 2HG LYS 39 -2.672 -12.868 -36.609 73 2HG LYS 39 1HG LYS 39 -2.173 -14.474 -37.134 74 1HD LYS 39 2HD LYS 39 -3.873 -14.215 -38.633 75 2HD LYS 39 1HD LYS 39 -4.862 -14.756 -37.277 76 1HE LYS 39 2HE LYS 39 -6.002 -12.799 -37.580 77 2HE LYS 39 1HE LYS 39 -4.606 -12.033 -36.796 78 1HZ LYS 39 3HZ LYS 39 -3.535 -12.098 -39.069 79 2HZ LYS 39 2HZ LYS 39 -5.077 -12.444 -39.694 80 3HZ LYS 39 1HZ LYS 39 -4.796 -10.981 -38.876 81 H ARG 40 H ARG 40 -0.957 -15.961 -37.052 82 HA ARG 40 HA ARG 40 -2.414 -18.505 -37.669 83 1HB ARG 40 2HB ARG 40 -0.876 -16.513 -39.360 84 2HB ARG 40 1HB ARG 40 -1.585 -18.003 -39.991 85 1HG ARG 40 2HG ARG 40 -3.780 -17.279 -39.565 86 2HG ARG 40 1HG ARG 40 -3.238 -16.052 -38.419 87 1HD ARG 40 2HD ARG 40 -3.925 -15.021 -40.580 88 2HD ARG 40 1HD ARG 40 -2.190 -14.786 -40.291 89 HE ARG 40 HE ARG 40 -2.302 -17.208 -41.627 90 1HH1 ARG 40 1HH2 ARG 40 -4.824 -15.706 -42.720 91 2HH1 ARG 40 2HH2 ARG 40 -4.177 -15.094 -44.205 92 1HH2 ARG 40 2HH1 ARG 40 -0.877 -15.696 -43.321 93 2HH2 ARG 40 1HH1 ARG 40 -1.942 -15.089 -44.546 94 H HIS 41 H HIS 41 0.262 -17.678 -36.082 95 HA HIS 41 HA HIS 41 2.350 -18.705 -35.690 96 1HB HIS 41 2HB HIS 41 0.363 -20.716 -36.539 97 2HB HIS 41 1HB HIS 41 2.037 -21.239 -36.695 98 HD1 HIS 41 HD1 HIS 41 2.250 -22.737 -34.662 99 HD2 HIS 41 HD2 HIS 41 0.684 -18.990 -33.720 100 HE1 HIS 41 HE1 HIS 41 2.155 -22.615 -32.134 101 H ILE 42 H ILE 42 2.704 -17.094 -37.767 102 HA ILE 42 HA ILE 42 3.722 -18.708 -40.064 103 HB ILE 42 HB ILE 42 3.297 -15.718 -39.747 104 1HG1 ILE 42 2HG1 ILE 42 1.517 -17.808 -41.043 105 2HG1 ILE 42 1HG1 ILE 42 1.198 -17.030 -39.494 106 1HG2 ILE 42 2HG2 ILE 42 4.833 -16.911 -41.593 107 2HG2 ILE 42 1HG2 ILE 42 3.267 -17.140 -42.369 108 3HG2 ILE 42 3HG2 ILE 42 3.827 -15.515 -41.979 109 1HD1 ILE 42 3HD1 ILE 42 1.663 -14.866 -41.124 110 2HD1 ILE 42 2HD1 ILE 42 0.855 -15.983 -42.225 111 3HD1 ILE 42 1HD1 ILE 42 0.063 -15.494 -40.727 112 H LYS 43 H LYS 43 5.899 -18.635 -40.613 113 HA LYS 43 HA LYS 43 7.807 -17.863 -38.558 114 1HB LYS 43 2HB LYS 43 7.695 -19.662 -40.613 115 2HB LYS 43 1HB LYS 43 8.720 -18.414 -41.322 116 1HG LYS 43 2HG LYS 43 9.784 -18.602 -38.810 117 2HG LYS 43 1HG LYS 43 9.283 -20.269 -39.094 118 1HD LYS 43 2HD LYS 43 10.594 -19.021 -41.411 119 2HD LYS 43 1HD LYS 43 11.639 -19.163 -39.996 120 1HE LYS 43 2HE LYS 43 11.014 -21.586 -39.827 121 2HE LYS 43 1HE LYS 43 10.103 -21.414 -41.341 122 1HZ LYS 43 2HZ LYS 43 12.954 -20.642 -41.029 123 2HZ LYS 43 1HZ LYS 43 12.449 -22.138 -41.659 124 3HZ LYS 43 3HZ LYS 43 12.058 -20.701 -42.472 125 H CYS 44 H CYS 44 6.993 -15.494 -38.618 126 HA CYS 44 HA CYS 44 7.374 -13.739 -40.787 127 1HB CYS 44 2HB CYS 44 6.247 -13.187 -38.679 128 2HB CYS 44 1HB CYS 44 7.773 -13.331 -37.806 129 HA PRO 45 HA PRO 45 11.830 -13.915 -41.269 130 1HB PRO 45 2HB PRO 45 11.863 -11.310 -42.484 131 2HB PRO 45 1HB PRO 45 11.968 -12.882 -43.282 132 1HG PRO 45 2HG PRO 45 9.774 -11.047 -43.323 133 2HG PRO 45 1HG PRO 45 9.864 -12.641 -44.078 134 1HD PRO 45 2HD PRO 45 8.335 -11.850 -41.748 135 2HD PRO 45 1HD PRO 45 8.378 -13.441 -42.548 136 H GLY 46 H GLY 46 10.703 -10.561 -40.666 137 1HA GLY 46 2HA GLY 46 11.150 -9.829 -38.213 138 2HA GLY 46 1HA GLY 46 12.804 -10.336 -38.557 139 H GLY 47 H GLY 47 10.337 -7.942 -39.294 140 1HA GLY 47 2HA GLY 47 12.328 -5.916 -39.808 141 2HA GLY 47 1HA GLY 47 11.575 -6.449 -41.311 142 H ASN 48 H ASN 48 11.148 -3.859 -40.692 143 HA ASN 48 HA ASN 48 8.280 -3.848 -39.848 144 1HB ASN 48 2HB ASN 48 10.627 -2.575 -38.614 145 2HB ASN 48 1HB ASN 48 9.280 -1.470 -38.888 146 1HD2 ASN 48 2HD2 ASN 48 7.053 -3.686 -36.894 147 2HD2 ASN 48 1HD2 ASN 48 7.057 -3.082 -38.483 148 HA PRO 49 HA PRO 49 6.750 -3.968 -41.076 149 1HB PRO 49 2HB PRO 49 6.385 -4.561 -43.862 150 2HB PRO 49 1HB PRO 49 5.262 -3.744 -42.779 151 1HG PRO 49 2HG PRO 49 6.707 -2.589 -44.933 152 2HG PRO 49 1HG PRO 49 5.703 -1.750 -43.749 153 1HD PRO 49 2HD PRO 49 8.618 -1.786 -43.969 154 2HD PRO 49 1HD PRO 49 7.591 -0.769 -42.928 155 H CYS 50 H CYS 50 6.649 -6.384 -41.939 156 HA CYS 50 HA CYS 50 9.434 -7.375 -42.072 157 1HB CYS 50 2HB CYS 50 8.353 -9.517 -41.526 158 2HB CYS 50 1HB CYS 50 7.750 -8.254 -40.455 159 H GLN 51 H GLN 51 8.087 -9.864 -43.471 160 HA GLN 51 HA GLN 51 7.982 -8.712 -46.230 161 1HB GLN 51 2HB GLN 51 10.263 -9.575 -45.533 162 2HB GLN 51 1HB GLN 51 9.538 -11.178 -45.405 163 1HG GLN 51 2HG GLN 51 10.270 -11.269 -47.595 164 2HG GLN 51 1HG GLN 51 8.664 -10.583 -47.852 165 1HE2 GLN 51 2HE2 GLN 51 9.941 -7.601 -49.202 166 2HE2 GLN 51 1HE2 GLN 51 8.614 -8.639 -48.994 167 H LYS 52 H LYS 52 7.309 -11.500 -44.116 168 HA LYS 52 HA LYS 52 5.868 -13.071 -46.014 169 1HB LYS 52 2HB LYS 52 6.029 -12.802 -43.031 170 2HB LYS 52 1HB LYS 52 4.780 -13.843 -43.722 171 1HG LYS 52 2HG LYS 52 7.742 -14.047 -44.348 172 2HG LYS 52 1HG LYS 52 6.875 -15.095 -43.224 173 1HD LYS 52 2HD LYS 52 5.287 -15.588 -45.199 174 2HD LYS 52 1HD LYS 52 6.542 -14.880 -46.216 175 1HE LYS 52 2HE LYS 52 8.019 -16.589 -44.647 176 2HE LYS 52 1HE LYS 52 6.505 -17.493 -44.854 177 1HZ LYS 52 2HZ LYS 52 7.799 -16.101 -47.120 178 2HZ LYS 52 1HZ LYS 52 8.230 -17.691 -46.703 179 3HZ LYS 52 3HZ LYS 52 6.636 -17.339 -47.165 180 H CYS 53 H CYS 53 4.941 -10.245 -44.172 181 HA CYS 53 HA CYS 53 2.068 -10.624 -44.869 182 1HB CYS 53 2HB CYS 53 3.726 -8.901 -43.076 183 2HB CYS 53 1HB CYS 53 2.068 -8.444 -43.433 184 H VAL 54 H VAL 54 4.799 -8.396 -45.335 185 HA VAL 54 HA VAL 54 3.453 -6.390 -46.836 186 HB VAL 54 HB VAL 54 6.294 -7.334 -47.333 187 1HG1 VAL 54 3HG1 VAL 54 4.832 -5.230 -48.353 188 2HG1 VAL 54 2HG1 VAL 54 5.683 -4.476 -47.002 189 3HG1 VAL 54 1HG1 VAL 54 6.594 -5.291 -48.275 190 1HG2 VAL 54 3HG2 VAL 54 5.132 -5.933 -44.927 191 2HG2 VAL 54 2HG2 VAL 54 6.304 -7.251 -44.977 192 3HG2 VAL 54 1HG2 VAL 54 6.794 -5.619 -45.427 193 H THR 55 H THR 55 4.740 -9.532 -47.632 194 HA THR 55 HA THR 55 4.348 -9.286 -50.513 195 HB THR 55 HB THR 55 6.069 -10.690 -49.341 196 HG1 THR 55 HG1 THR 55 5.968 -11.767 -51.119 197 1HG2 THR 55 2HG2 THR 55 4.375 -11.373 -47.535 198 2HG2 THR 55 1HG2 THR 55 3.817 -12.582 -48.689 199 3HG2 THR 55 3HG2 THR 55 5.482 -12.619 -48.108 200 H SER 56 H SER 56 2.650 -10.604 -47.725 201 HA SER 56 HA SER 56 0.423 -11.623 -49.416 202 1HB SER 56 2HB SER 56 1.324 -11.864 -46.552 203 2HB SER 56 1HB SER 56 -0.326 -12.299 -46.993 204 HG SER 56 HG SER 56 0.557 -14.125 -47.553 205 H ASN 57 H ASN 57 1.081 -8.707 -48.946 206 HA ASN 57 HA ASN 57 0.069 -6.705 -48.272 207 1HB ASN 57 2HB ASN 57 -2.297 -6.639 -49.162 208 2HB ASN 57 1HB ASN 57 -1.082 -7.211 -50.295 209 1HD2 ASN 57 2HD2 ASN 57 -3.763 -9.936 -48.772 210 2HD2 ASN 57 1HD2 ASN 57 -3.399 -8.546 -47.873 211 H ALA 58 H ALA 58 0.493 -7.717 -46.027 212 HA ALA 58 HA ALA 58 -2.087 -7.699 -44.493 213 1HB ALA 58 3HB ALA 58 -0.091 -9.695 -44.805 214 2HB ALA 58 2HB ALA 58 0.072 -9.072 -43.161 215 3HB ALA 58 1HB ALA 58 -1.472 -9.729 -43.706 216 H ILE 59 H ILE 59 -1.382 -7.262 -42.011 217 HA ILE 59 HA ILE 59 0.171 -4.733 -42.074 218 HB ILE 59 HB ILE 59 -1.458 -5.982 -39.847 219 1HG1 ILE 59 2HG1 ILE 59 -2.304 -4.052 -42.036 220 2HG1 ILE 59 1HG1 ILE 59 -2.880 -5.707 -41.829 221 1HG2 ILE 59 3HG2 ILE 59 0.190 -4.120 -39.334 222 2HG2 ILE 59 2HG2 ILE 59 -0.782 -3.080 -40.376 223 3HG2 ILE 59 1HG2 ILE 59 -1.486 -3.769 -38.913 224 1HD1 ILE 59 3HD1 ILE 59 -3.725 -5.038 -39.546 225 2HD1 ILE 59 2HD1 ILE 59 -3.323 -3.369 -39.954 226 3HD1 ILE 59 1HD1 ILE 59 -4.546 -4.234 -40.886 227 H CYS 60 H CYS 60 2.142 -4.597 -41.124 228 HA CYS 60 HA CYS 60 3.163 -6.984 -39.636 229 1HB CYS 60 2HB CYS 60 4.856 -4.880 -40.992 230 2HB CYS 60 1HB CYS 60 5.263 -6.548 -40.627 231 H GLU 61 H GLU 61 3.084 -6.484 -37.451 232 HA GLU 61 HA GLU 61 4.393 -3.956 -36.579 233 1HB GLU 61 2HB GLU 61 2.416 -3.520 -35.094 234 2HB GLU 61 1HB GLU 61 2.024 -3.429 -36.810 235 1HG GLU 61 2HG GLU 61 1.325 -5.875 -36.653 236 2HG GLU 61 1HG GLU 61 1.451 -5.706 -34.902 237 H TYR 62 H TYR 62 5.148 -4.066 -34.379 238 HA TYR 62 HA TYR 62 5.076 -6.816 -33.175 239 1HB TYR 62 2HB TYR 62 7.301 -4.748 -33.215 240 2HB TYR 62 1HB TYR 62 7.401 -6.347 -32.477 241 HD1 TYR 62 HD2 TYR 62 6.003 -8.050 -34.449 242 HD2 TYR 62 HD1 TYR 62 8.785 -4.803 -35.056 243 HE1 TYR 62 HE2 TYR 62 6.662 -9.023 -36.648 244 HE2 TYR 62 HE1 TYR 62 9.443 -5.778 -37.253 245 HH TYR 62 HH TYR 62 8.528 -7.286 -38.947 246 H LEU 63 H LEU 63 3.086 -5.184 -32.323 247 HA LEU 63 HA LEU 63 4.094 -3.905 -29.806 248 1HB LEU 63 2HB LEU 63 1.721 -3.452 -31.623 249 2HB LEU 63 1HB LEU 63 1.784 -2.765 -30.000 250 HG LEU 63 HG LEU 63 4.175 -2.385 -31.743 251 1HD1 LEU 63 2HD1 LEU 63 2.105 -1.918 -33.155 252 2HD1 LEU 63 1HD1 LEU 63 1.719 -0.635 -32.007 253 3HD1 LEU 63 3HD1 LEU 63 3.207 -0.555 -32.951 254 1HD2 LEU 63 2HD2 LEU 63 2.864 -1.171 -29.394 255 2HD2 LEU 63 1HD2 LEU 63 4.573 -1.223 -29.825 256 3HD2 LEU 63 3HD2 LEU 63 3.519 -0.004 -30.541 257 H GLU 64 H GLU 64 3.972 -5.606 -28.316 258 HA GLU 64 HA GLU 64 1.268 -6.536 -27.590 259 1HB GLU 64 2HB GLU 64 2.504 -7.965 -29.474 260 2HB GLU 64 1HB GLU 64 3.323 -8.659 -28.074 261 1HG GLU 64 2HG GLU 64 1.246 -9.359 -27.096 262 2HG GLU 64 1HG GLU 64 0.312 -8.433 -28.271 263 HA PRO 65 HA PRO 65 4.620 -6.033 -24.250 264 1HB PRO 65 2HB PRO 65 2.786 -4.308 -22.857 265 2HB PRO 65 1HB PRO 65 4.350 -3.890 -23.563 266 1HG PRO 65 2HG PRO 65 1.749 -3.143 -24.501 267 2HG PRO 65 1HG PRO 65 3.314 -2.754 -25.221 268 1HD PRO 65 2HD PRO 65 1.323 -4.612 -26.215 269 2HD PRO 65 1HD PRO 65 2.895 -4.193 -26.940 270 H SER 66 H SER 66 3.616 -5.919 -21.655 271 HA SER 66 HA SER 66 1.748 -8.270 -21.566 272 1HB SER 66 2HB SER 66 4.217 -8.501 -20.895 273 2HB SER 66 1HB SER 66 3.830 -7.475 -19.516 274 HG SER 66 HG SER 66 3.434 -9.453 -18.754 275 H LYS 67 H LYS 67 0.983 -8.309 -19.015 276 HA LYS 67 HA LYS 67 -0.456 -7.334 -17.421 277 1HB LYS 67 2HB LYS 67 1.605 -5.331 -18.148 278 2HB LYS 67 1HB LYS 67 0.184 -4.690 -17.324 279 1HG LYS 67 2HG LYS 67 0.528 -6.046 -15.424 280 2HG LYS 67 1HG LYS 67 1.610 -7.138 -16.291 281 1HD LYS 67 2HD LYS 67 3.385 -5.593 -16.276 282 2HD LYS 67 1HD LYS 67 2.315 -4.230 -15.945 283 1HE LYS 67 2HE LYS 67 2.392 -4.579 -13.695 284 2HE LYS 67 1HE LYS 67 2.234 -6.338 -13.879 285 1HZ LYS 67 3HZ LYS 67 4.547 -6.345 -14.739 286 2HZ LYS 67 2HZ LYS 67 4.678 -4.705 -14.314 287 3HZ LYS 67 1HZ LYS 67 4.436 -5.881 -13.112 288 H LYS 68 H LYS 68 -0.141 -4.539 -19.609 289 HA LYS 68 HA LYS 68 -1.768 -3.344 -20.815 290 1HB LYS 68 2HB LYS 68 -3.061 -6.090 -20.858 291 2HB LYS 68 1HB LYS 68 -3.405 -4.768 -21.970 292 1HG LYS 68 2HG LYS 68 -0.746 -4.873 -22.293 293 2HG LYS 68 1HG LYS 68 -1.024 -6.553 -21.832 294 1HD LYS 68 2HD LYS 68 -2.673 -6.810 -23.613 295 2HD LYS 68 1HD LYS 68 -2.516 -5.105 -24.039 296 1HE LYS 68 2HE LYS 68 0.092 -5.860 -24.189 297 2HE LYS 68 1HE LYS 68 -0.707 -7.372 -24.666 298 1HZ LYS 68 1HZ LYS 68 -1.561 -4.754 -25.744 299 2HZ LYS 68 3HZ LYS 68 -0.329 -5.653 -26.486 300 3HZ LYS 68 2HZ LYS 68 -1.893 -6.304 -26.353 301 H ILE 69 H ILE 69 -4.121 -2.646 -20.708 302 HA ILE 69 HA ILE 69 -5.005 -2.665 -17.872 303 HB ILE 69 HB ILE 69 -4.623 -0.592 -19.315 304 1HG1 ILE 69 2HG1 ILE 69 -6.655 0.546 -18.438 305 2HG1 ILE 69 1HG1 ILE 69 -7.342 -1.034 -18.058 306 1HG2 ILE 69 2HG2 ILE 69 -7.188 -1.568 -20.581 307 2HG2 ILE 69 1HG2 ILE 69 -6.511 0.044 -20.798 308 3HG2 ILE 69 3HG2 ILE 69 -5.632 -1.367 -21.384 309 1HD1 ILE 69 3HD1 ILE 69 -4.710 -0.967 -16.972 310 2HD1 ILE 69 2HD1 ILE 69 -5.513 0.531 -16.501 311 3HD1 ILE 69 1HD1 ILE 69 -6.240 -1.025 -16.098 312 H VAL 70 H VAL 70 -7.099 -3.349 -17.272 313 HA VAL 70 HA VAL 70 -8.927 -4.390 -19.359 314 HB VAL 70 HB VAL 70 -8.076 -6.200 -17.088 315 1HG1 VAL 70 1HG1 VAL 70 -10.178 -6.581 -18.446 316 2HG1 VAL 70 3HG1 VAL 70 -9.142 -6.806 -19.857 317 3HG1 VAL 70 2HG1 VAL 70 -9.024 -7.915 -18.488 318 1HG2 VAL 70 1HG2 VAL 70 -6.837 -6.030 -19.860 319 2HG2 VAL 70 3HG2 VAL 70 -6.016 -5.700 -18.334 320 3HG2 VAL 70 2HG2 VAL 70 -6.556 -7.337 -18.709 321 H VAL 71 H VAL 71 -10.643 -3.108 -18.684 322 HA VAL 71 HA VAL 71 -11.947 -3.796 -16.172 323 HB VAL 71 HB VAL 71 -11.880 -1.189 -15.571 324 1HG1 VAL 71 2HG1 VAL 71 -10.937 -3.379 -14.408 325 2HG1 VAL 71 1HG1 VAL 71 -9.387 -2.690 -14.886 326 3HG1 VAL 71 3HG1 VAL 71 -10.473 -1.776 -13.840 327 1HG2 VAL 71 1HG2 VAL 71 -10.159 -1.147 -17.712 328 2HG2 VAL 71 3HG2 VAL 71 -10.150 0.033 -16.406 329 3HG2 VAL 71 2HG2 VAL 71 -9.040 -1.337 -16.368 330 H SER 72 H SER 72 -12.195 -0.594 -17.670 331 HA SER 72 HA SER 72 -14.645 -1.461 -19.130 332 1HB SER 72 2HB SER 72 -15.395 -0.891 -16.900 333 2HB SER 72 1HB SER 72 -14.464 0.605 -16.919 334 HG SER 72 HG SER 72 -16.289 1.391 -17.640 335 H THR 73 H THR 73 -14.790 -0.395 -21.076 336 HA THR 73 HA THR 73 -12.801 1.463 -21.979 337 HB THR 73 HB THR 73 -14.188 -0.026 -23.403 338 HG1 THR 73 HG1 THR 73 -13.381 1.657 -24.516 339 1HG2 THR 73 1HG2 THR 73 -16.274 0.541 -21.922 340 2HG2 THR 73 3HG2 THR 73 -16.478 1.886 -23.044 341 3HG2 THR 73 2HG2 THR 73 -16.500 0.229 -23.643 342 H LYS 74 H LYS 74 -16.027 1.910 -20.558 343 HA LYS 74 HA LYS 74 -16.416 4.671 -21.037 344 1HB LYS 74 2HB LYS 74 -17.969 2.994 -19.959 345 2HB LYS 74 1HB LYS 74 -16.996 3.127 -18.497 346 1HG LYS 74 2HG LYS 74 -17.559 5.775 -19.296 347 2HG LYS 74 1HG LYS 74 -19.076 4.887 -19.440 348 1HD LYS 74 2HD LYS 74 -18.616 3.963 -17.113 349 2HD LYS 74 1HD LYS 74 -17.316 5.148 -16.994 350 1HE LYS 74 2HE LYS 74 -19.012 6.451 -16.120 351 2HE LYS 74 1HE LYS 74 -19.339 6.760 -17.838 352 1HZ LYS 74 1HZ LYS 74 -20.450 4.413 -16.414 353 2HZ LYS 74 3HZ LYS 74 -21.273 5.894 -16.473 354 3HZ LYS 74 2HZ LYS 74 -20.932 5.057 -17.911 355 H TYR 75 H TYR 75 -14.275 2.981 -18.849 356 HA TYR 75 HA TYR 75 -13.535 5.092 -17.077 357 1HB TYR 75 2HB TYR 75 -13.036 2.487 -17.248 358 2HB TYR 75 1HB TYR 75 -11.600 3.036 -18.109 359 HD1 TYR 75 HD1 TYR 75 -10.881 5.528 -16.759 360 HD2 TYR 75 HD2 TYR 75 -12.352 1.820 -15.102 361 HE1 TYR 75 HE1 TYR 75 -9.788 6.068 -14.583 362 HE2 TYR 75 HE2 TYR 75 -11.261 2.359 -12.928 363 HH TYR 75 HH TYR 75 -9.788 5.502 -12.329 364 H LEU 76 H LEU 76 -12.078 3.978 -20.142 365 HA LEU 76 HA LEU 76 -9.993 5.901 -20.337 366 1HB LEU 76 2HB LEU 76 -11.543 4.072 -22.094 367 2HB LEU 76 1HB LEU 76 -10.652 5.354 -22.913 368 HG LEU 76 HG LEU 76 -9.275 3.322 -22.693 369 1HD1 LEU 76 2HD1 LEU 76 -8.368 5.745 -22.428 370 2HD1 LEU 76 1HD1 LEU 76 -8.180 5.325 -20.727 371 3HD1 LEU 76 3HD1 LEU 76 -7.320 4.407 -21.962 372 1HD2 LEU 76 3HD2 LEU 76 -10.530 2.840 -20.392 373 2HD2 LEU 76 2HD2 LEU 76 -8.903 2.232 -20.687 374 3HD2 LEU 76 1HD2 LEU 76 -9.138 3.693 -19.729 375 H GLN 77 H GLN 77 -13.321 5.966 -21.648 376 HA GLN 77 HA GLN 77 -13.156 8.527 -22.903 377 1HB GLN 77 2HB GLN 77 -15.090 6.469 -22.250 378 2HB GLN 77 1HB GLN 77 -15.793 8.068 -22.016 379 1HG GLN 77 2HG GLN 77 -16.122 7.296 -24.336 380 2HG GLN 77 1HG GLN 77 -15.079 8.719 -24.286 381 1HE2 GLN 77 2HE2 GLN 77 -12.618 6.989 -26.104 382 2HE2 GLN 77 1HE2 GLN 77 -13.502 8.421 -25.873 383 H GLN 78 H GLN 78 -14.383 7.596 -19.663 384 HA GLN 78 HA GLN 78 -15.216 10.121 -18.743 385 1HB GLN 78 2HB GLN 78 -14.822 7.538 -17.762 386 2HB GLN 78 1HB GLN 78 -13.781 8.539 -16.747 387 1HG GLN 78 2HG GLN 78 -16.673 9.226 -17.323 388 2HG GLN 78 1HG GLN 78 -16.171 8.285 -15.919 389 1HE2 GLN 78 2HE2 GLN 78 -14.963 11.092 -14.140 390 2HE2 GLN 78 1HE2 GLN 78 -15.172 9.407 -14.161 391 H LEU 79 H LEU 79 -11.949 8.774 -18.957 392 HA LEU 79 HA LEU 79 -10.717 11.029 -17.531 393 1HB LEU 79 2HB LEU 79 -9.892 8.486 -18.895 394 2HB LEU 79 1HB LEU 79 -8.661 9.704 -18.573 395 HG LEU 79 HG LEU 79 -8.994 7.935 -16.753 396 1HD1 LEU 79 3HD1 LEU 79 -9.239 10.895 -16.187 397 2HD1 LEU 79 2HD1 LEU 79 -8.927 9.699 -14.927 398 3HD1 LEU 79 1HD1 LEU 79 -7.768 9.923 -16.239 399 1HD2 LEU 79 1HD2 LEU 79 -11.511 9.576 -16.305 400 2HD2 LEU 79 3HD2 LEU 79 -11.456 7.878 -16.781 401 3HD2 LEU 79 2HD2 LEU 79 -10.877 8.366 -15.189 402 H GLN 80 H GLN 80 -11.344 10.061 -20.852 403 HA GLN 80 HA GLN 80 -9.539 12.021 -22.045 404 1HB GLN 80 2HB GLN 80 -11.118 9.760 -22.768 405 2HB GLN 80 1HB GLN 80 -11.631 11.107 -23.787 406 1HG GLN 80 2HG GLN 80 -9.803 10.751 -25.052 407 2HG GLN 80 1HG GLN 80 -8.821 11.271 -23.685 408 1HE2 GLN 80 2HE2 GLN 80 -8.770 7.635 -22.599 409 2HE2 GLN 80 1HE2 GLN 80 -9.526 9.008 -21.946 410 H LYS 81 H LYS 81 -12.953 11.859 -21.154 411 HA LYS 81 HA LYS 81 -13.626 14.397 -22.472 412 1HB LYS 81 2HB LYS 81 -15.023 12.476 -20.586 413 2HB LYS 81 1HB LYS 81 -15.792 13.949 -21.180 414 1HG LYS 81 2HG LYS 81 -14.529 12.279 -23.266 415 2HG LYS 81 1HG LYS 81 -15.919 11.545 -22.466 416 1HD LYS 81 2HD LYS 81 -17.382 13.220 -23.171 417 2HD LYS 81 1HD LYS 81 -16.086 14.398 -23.389 418 1HE LYS 81 2HE LYS 81 -15.241 13.031 -25.325 419 2HE LYS 81 1HE LYS 81 -16.676 11.999 -25.159 420 1HZ LYS 81 3HZ LYS 81 -18.040 14.042 -25.274 421 2HZ LYS 81 2HZ LYS 81 -16.636 14.934 -25.623 422 3HZ LYS 81 1HZ LYS 81 -17.181 13.742 -26.705 423 H ASP 82 H ASP 82 -13.254 13.238 -19.096 424 HA ASP 82 HA ASP 82 -13.710 15.691 -17.756 425 1HB ASP 82 2HB ASP 82 -13.291 13.313 -16.861 426 2HB ASP 82 1HB ASP 82 -11.572 13.658 -17.056 427 H LEU 83 H LEU 83 -10.773 14.376 -19.261 428 HA LEU 83 HA LEU 83 -8.967 16.480 -18.569 429 1HB LEU 83 2HB LEU 83 -8.318 14.284 -19.472 430 2HB LEU 83 1HB LEU 83 -9.144 14.649 -20.987 431 HG LEU 83 HG LEU 83 -7.143 16.645 -20.080 432 1HD1 LEU 83 3HD1 LEU 83 -6.234 14.216 -19.691 433 2HD1 LEU 83 2HD1 LEU 83 -6.151 14.157 -21.451 434 3HD1 LEU 83 1HD1 LEU 83 -5.234 15.376 -20.567 435 1HD2 LEU 83 3HD2 LEU 83 -8.376 15.608 -22.553 436 2HD2 LEU 83 2HD2 LEU 83 -7.789 17.231 -22.184 437 3HD2 LEU 83 1HD2 LEU 83 -6.657 15.980 -22.702 438 H ASN 84 H ASN 84 -11.202 16.048 -21.316 439 HA ASN 84 HA ASN 84 -10.418 18.429 -22.743 440 1HB ASN 84 2HB ASN 84 -12.098 16.232 -23.053 441 2HB ASN 84 1HB ASN 84 -13.214 17.594 -22.982 442 1HD2 ASN 84 2HD2 ASN 84 -12.554 18.094 -26.420 443 2HD2 ASN 84 1HD2 ASN 84 -13.716 17.744 -25.233 444 H ASP 85 H ASP 85 -12.736 17.749 -20.159 445 HA ASP 85 HA ASP 85 -14.097 20.293 -20.218 446 1HB ASP 85 2HB ASP 85 -14.395 17.893 -18.955 447 2HB ASP 85 1HB ASP 85 -13.725 18.859 -17.640 448 H LYS 86 H LYS 86 -10.973 19.288 -19.115 449 HA LYS 86 HA LYS 86 -10.577 21.534 -17.260 450 1HB LYS 86 2HB LYS 86 -8.735 19.498 -18.573 451 2HB LYS 86 1HB LYS 86 -8.225 20.632 -17.322 452 1HG LYS 86 2HG LYS 86 -10.486 18.644 -16.971 453 2HG LYS 86 1HG LYS 86 -8.829 18.349 -16.442 454 1HD LYS 86 2HD LYS 86 -9.050 20.611 -15.191 455 2HD LYS 86 1HD LYS 86 -10.786 20.403 -15.425 456 1HE LYS 86 2HE LYS 86 -10.698 18.217 -14.285 457 2HE LYS 86 1HE LYS 86 -8.947 18.401 -14.063 458 1HZ LYS 86 2HZ LYS 86 -9.393 20.527 -12.932 459 2HZ LYS 86 1HZ LYS 86 -11.061 20.218 -13.033 460 3HZ LYS 86 3HZ LYS 86 -10.066 19.204 -12.107 461 H THR 87 H THR 87 -10.099 20.714 -20.615 462 HA THR 87 HA THR 87 -8.424 22.998 -21.302 463 HB THR 87 HB THR 87 -10.029 20.871 -22.756 464 HG1 THR 87 HG1 THR 87 -7.795 20.394 -23.414 465 1HG2 THR 87 3HG2 THR 87 -9.000 23.399 -23.795 466 2HG2 THR 87 2HG2 THR 87 -8.323 22.001 -24.629 467 3HG2 THR 87 1HG2 THR 87 -10.071 22.223 -24.556 468 H GLU 88 H GLU 88 -11.867 22.093 -21.641 469 HA GLU 88 HA GLU 88 -12.775 24.509 -22.884 470 1HB GLU 88 2HB GLU 88 -13.979 22.333 -21.173 471 2HB GLU 88 1HB GLU 88 -14.959 23.708 -21.682 472 1HG GLU 88 2HG GLU 88 -14.302 23.226 -24.055 473 2HG GLU 88 1HG GLU 88 -13.488 21.767 -23.487 474 H GLU 89 H GLU 89 -12.210 23.560 -19.531 475 HA GLU 89 HA GLU 89 -13.360 25.923 -18.305 476 1HB GLU 89 2HB GLU 89 -11.866 23.515 -17.604 477 2HB GLU 89 1HB GLU 89 -11.326 24.909 -16.668 478 1HG GLU 89 2HG GLU 89 -13.110 24.043 -15.386 479 2HG GLU 89 1HG GLU 89 -13.848 25.369 -16.284 480 H ASN 90 H ASN 90 -10.019 24.926 -19.097 481 HA ASN 90 HA ASN 90 -8.623 27.258 -18.324 482 1HB ASN 90 2HB ASN 90 -8.279 24.895 -19.966 483 2HB ASN 90 1HB ASN 90 -7.528 26.282 -20.753 484 1HD2 ASN 90 2HD2 ASN 90 -5.538 24.575 -17.795 485 2HD2 ASN 90 1HD2 ASN 90 -6.732 23.823 -18.737 486 H ASN 91 H ASN 91 -10.711 26.616 -21.048 487 HA ASN 91 HA ASN 91 -9.965 28.926 -22.643 488 1HB ASN 91 2HB ASN 91 -11.865 26.677 -22.614 489 2HB ASN 91 1HB ASN 91 -12.528 28.131 -23.352 490 1HD2 ASN 91 2HD2 ASN 91 -9.413 26.182 -25.166 491 2HD2 ASN 91 1HD2 ASN 91 -9.824 25.810 -23.560 492 H ARG 92 H ARG 92 -12.489 28.183 -20.247 493 HA ARG 92 HA ARG 92 -13.767 30.812 -20.482 494 1HB ARG 92 2HB ARG 92 -14.669 28.443 -19.768 495 2HB ARG 92 1HB ARG 92 -14.056 28.905 -18.179 496 1HG ARG 92 2HG ARG 92 -15.794 30.296 -17.835 497 2HG ARG 92 1HG ARG 92 -15.529 31.091 -19.387 498 1HD ARG 92 2HD ARG 92 -16.633 28.920 -20.386 499 2HD ARG 92 1HD ARG 92 -17.295 28.739 -18.749 500 HE ARG 92 HE ARG 92 -18.468 30.827 -19.025 501 1HH1 ARG 92 2HH1 ARG 92 -17.891 29.329 -21.900 502 2HH1 ARG 92 1HH1 ARG 92 -17.972 30.745 -22.893 503 1HH2 ARG 92 1HH2 ARG 92 -17.970 32.946 -20.212 504 2HH2 ARG 92 2HH2 ARG 92 -18.017 32.793 -21.937 505 H LEU 93 H LEU 93 -12.020 29.136 -17.838 506 HA LEU 93 HA LEU 93 -11.734 31.246 -16.027 507 1HB LEU 93 2HB LEU 93 -11.059 28.940 -15.600 508 2HB LEU 93 1HB LEU 93 -9.809 29.044 -16.840 509 HG LEU 93 HG LEU 93 -9.755 31.067 -14.645 510 1HD1 LEU 93 1HD1 LEU 93 -10.008 28.417 -13.953 511 2HD1 LEU 93 3HD1 LEU 93 -8.257 28.597 -14.067 512 3HD1 LEU 93 2HD1 LEU 93 -9.180 29.633 -12.979 513 1HD2 LEU 93 3HD2 LEU 93 -8.141 30.359 -16.801 514 2HD2 LEU 93 2HD2 LEU 93 -7.662 31.384 -15.449 515 3HD2 LEU 93 1HD2 LEU 93 -7.310 29.657 -15.413 516 H LYS 94 H LYS 94 -10.048 30.693 -19.060 517 HA LYS 94 HA LYS 94 -7.971 32.690 -18.628 518 1HB LYS 94 2HB LYS 94 -7.712 30.795 -20.164 519 2HB LYS 94 1HB LYS 94 -9.107 31.331 -21.097 520 1HG LYS 94 2HG LYS 94 -7.755 33.568 -21.328 521 2HG LYS 94 1HG LYS 94 -6.370 32.558 -20.916 522 1HD LYS 94 2HD LYS 94 -7.282 30.961 -22.761 523 2HD LYS 94 1HD LYS 94 -8.193 32.370 -23.304 524 1HE LYS 94 2HE LYS 94 -5.993 33.654 -23.328 525 2HE LYS 94 1HE LYS 94 -5.181 32.094 -23.090 526 1HZ LYS 94 2HZ LYS 94 -7.185 32.603 -25.222 527 2HZ LYS 94 1HZ LYS 94 -5.508 32.710 -25.469 528 3HZ LYS 94 3HZ LYS 94 -6.207 31.226 -25.038 529 H ALA 95 H ALA 95 -11.186 32.599 -20.131 530 HA ALA 95 HA ALA 95 -10.955 35.459 -20.912 531 1HB ALA 95 1HB ALA 95 -13.005 33.265 -21.330 532 2HB ALA 95 3HB ALA 95 -13.232 34.915 -21.910 533 3HB ALA 95 2HB ALA 95 -11.901 33.938 -22.529 534 H LEU 96 H LEU 96 -11.533 33.994 -18.066 535 HA LEU 96 HA LEU 96 -13.870 35.707 -17.326 536 1HB LEU 96 2HB LEU 96 -13.012 33.025 -16.782 537 2HB LEU 96 1HB LEU 96 -13.039 33.914 -15.259 538 HG LEU 96 HG LEU 96 -15.353 34.319 -17.088 539 1HD1 LEU 96 3HD1 LEU 96 -14.585 31.741 -16.765 540 2HD1 LEU 96 2HD1 LEU 96 -15.536 31.957 -15.296 541 3HD1 LEU 96 1HD1 LEU 96 -16.275 32.234 -16.873 542 1HD2 LEU 96 1HD2 LEU 96 -14.729 34.297 -14.163 543 2HD2 LEU 96 3HD2 LEU 96 -15.649 35.472 -15.103 544 3HD2 LEU 96 2HD2 LEU 96 -16.384 33.933 -14.653 545 H LEU 97 H LEU 97 -10.463 35.124 -16.755 546 HA LEU 97 HA LEU 97 -10.453 37.193 -14.590 547 1HB LEU 97 2HB LEU 97 -8.566 34.951 -15.376 548 2HB LEU 97 1HB LEU 97 -8.205 36.127 -14.113 549 HG LEU 97 HG LEU 97 -10.595 34.262 -14.161 550 1HD1 LEU 97 3HD1 LEU 97 -7.869 34.047 -13.114 551 2HD1 LEU 97 2HD1 LEU 97 -9.095 33.806 -11.870 552 3HD1 LEU 97 1HD1 LEU 97 -9.094 32.795 -13.315 553 1HD2 LEU 97 2HD2 LEU 97 -9.900 36.665 -12.591 554 2HD2 LEU 97 1HD2 LEU 97 -11.471 35.908 -12.850 555 3HD2 LEU 97 3HD2 LEU 97 -10.378 35.272 -11.620 556 H LEU 98 H LEU 98 -9.406 36.468 -17.831 557 HA LEU 98 HA LEU 98 -7.172 38.244 -18.028 558 1HB LEU 98 2HB LEU 98 -7.670 36.467 -19.626 559 2HB LEU 98 1HB LEU 98 -9.215 37.218 -20.024 560 HG LEU 98 HG LEU 98 -7.187 39.190 -20.318 561 1HD1 LEU 98 1HD1 LEU 98 -6.552 36.491 -21.506 562 2HD1 LEU 98 3HD1 LEU 98 -5.998 37.978 -22.275 563 3HD1 LEU 98 2HD1 LEU 98 -5.479 37.586 -20.636 564 1HD2 LEU 98 3HD2 LEU 98 -9.131 37.721 -22.072 565 2HD2 LEU 98 2HD2 LEU 98 -9.092 39.431 -21.643 566 3HD2 LEU 98 1HD2 LEU 98 -7.941 38.789 -22.816 567 H GLU 99 H GLU 99 -10.644 38.709 -18.237 568 HA GLU 99 HA GLU 99 -10.358 41.502 -19.169 569 1HB GLU 99 2HB GLU 99 -12.181 39.495 -19.572 570 2HB GLU 99 1HB GLU 99 -12.985 40.445 -18.321 571 1HG GLU 99 2HG GLU 99 -11.796 42.158 -20.352 572 2HG GLU 99 1HG GLU 99 -12.937 41.015 -21.061 573 H ARG 100 HN ARG 100 -11.095 39.696 -16.235 574 HA ARG 100 HA ARG 100 -11.216 42.298 -14.747 575 1HB ARG 100 2HB ARG 100 -13.432 41.180 -15.064 576 2HB ARG 100 1HB ARG 100 -12.799 39.760 -14.231 577 1HG ARG 100 2HG ARG 100 -12.503 42.388 -12.854 578 2HG ARG 100 1HG ARG 100 -14.122 41.690 -12.924 579 1HD ARG 100 2HD ARG 100 -12.543 39.510 -12.237 580 2HD ARG 100 1HD ARG 100 -11.820 40.847 -11.319 581 HE ARG 100 HE ARG 100 -14.598 41.165 -11.067 582 1HH1 ARG 100 1HH1 ARG 100 -14.926 38.283 -10.985 583 2HH1 ARG 100 2HH1 ARG 100 -14.578 37.870 -9.340 584 1HH2 ARG 100 1HH2 ARG 100 -12.970 40.864 -8.651 585 2HH2 ARG 100 2HH2 ARG 100 -13.469 39.331 -8.018 586 1H MET 30 1H MET 30 -29.170 -20.963 -12.662 587 2H MET 30 3H MET 30 -29.703 -22.150 -11.574 588 3H MET 30 2H MET 30 -28.303 -22.415 -12.498 589 HA MET 30 HA MET 30 -29.490 -22.739 -14.467 590 1HB MET 30 2HB MET 30 -30.125 -24.073 -12.013 591 2HB MET 30 1HB MET 30 -31.587 -24.014 -12.998 592 1HG MET 30 2HG MET 30 -30.511 -25.985 -13.724 593 2HG MET 30 1HG MET 30 -30.062 -24.792 -14.944 594 1HE MET 30 3HE MET 30 -29.270 -26.668 -11.835 595 2HE MET 30 2HE MET 30 -27.544 -26.487 -11.528 596 3HE MET 30 1HE MET 30 -28.639 -25.153 -11.176 597 H SER 31 H SER 31 -31.305 -20.983 -12.025 598 HA SER 31 HA SER 31 -33.701 -20.635 -13.664 599 1HB SER 31 2HB SER 31 -33.559 -20.652 -11.145 600 2HB SER 31 1HB SER 31 -32.719 -19.105 -11.235 601 HG SER 31 HG SER 31 -34.955 -18.812 -10.944 602 H VAL 32 H VAL 32 -32.197 -19.851 -15.553 603 HA VAL 32 HA VAL 32 -30.960 -17.258 -15.439 604 HB VAL 32 HB VAL 32 -32.149 -18.806 -17.765 605 1HG1 VAL 32 1HG1 VAL 32 -30.911 -16.248 -17.620 606 2HG1 VAL 32 3HG1 VAL 32 -29.749 -17.348 -18.364 607 3HG1 VAL 32 2HG1 VAL 32 -31.355 -17.153 -19.067 608 1HG2 VAL 32 2HG2 VAL 32 -29.611 -19.053 -16.187 609 2HG2 VAL 32 1HG2 VAL 32 -30.629 -20.321 -16.871 610 3HG2 VAL 32 3HG2 VAL 32 -29.564 -19.385 -17.918 611 H ALA 33 H ALA 33 -31.805 -15.218 -16.018 612 HA ALA 33 HA ALA 33 -34.675 -15.046 -16.798 613 1HB ALA 33 2HB ALA 33 -34.095 -14.993 -14.216 614 2HB ALA 33 1HB ALA 33 -33.624 -13.330 -14.568 615 3HB ALA 33 3HB ALA 33 -35.277 -13.863 -14.877 616 H CYS 34 H CYS 34 -35.224 -12.803 -17.523 617 HA CYS 34 HA CYS 34 -33.235 -11.684 -19.255 618 1HB CYS 34 2HB CYS 34 -35.787 -10.483 -18.138 619 2HB CYS 34 1HB CYS 34 -34.958 -9.965 -19.603 620 H LEU 35 H LEU 35 -32.895 -9.112 -19.034 621 HA LEU 35 HA LEU 35 -31.219 -8.690 -16.739 622 1HB LEU 35 2HB LEU 35 -32.140 -7.277 -19.153 623 2HB LEU 35 1HB LEU 35 -31.724 -6.211 -17.813 624 HG LEU 35 HG LEU 35 -29.655 -8.023 -17.764 625 1HD1 LEU 35 3HD1 LEU 35 -30.835 -7.957 -20.466 626 2HD1 LEU 35 2HD1 LEU 35 -29.102 -7.633 -20.424 627 3HD1 LEU 35 1HD1 LEU 35 -29.735 -9.133 -19.747 628 1HD2 LEU 35 2HD2 LEU 35 -29.889 -5.360 -17.891 629 2HD2 LEU 35 1HD2 LEU 35 -28.357 -6.167 -18.229 630 3HD2 LEU 35 3HD2 LEU 35 -29.393 -5.648 -19.560 631 H SER 36 H SER 36 -34.537 -7.848 -17.507 632 HA SER 36 HA SER 36 -34.927 -6.092 -15.215 633 1HB SER 36 2HB SER 36 -36.402 -7.178 -17.503 634 2HB SER 36 1HB SER 36 -37.400 -7.068 -16.056 635 HG SER 36 HG SER 36 -36.191 -5.075 -17.574 636 H CYS 37 H CYS 37 -35.754 -9.475 -15.994 637 HA CYS 37 HA CYS 37 -36.992 -10.082 -13.466 638 1HB CYS 37 2HB CYS 37 -35.575 -11.864 -15.480 639 2HB CYS 37 1HB CYS 37 -36.752 -12.393 -14.280 640 H ARG 38 H ARG 38 -33.665 -9.947 -14.578 641 HA ARG 38 HA ARG 38 -32.545 -11.509 -12.383 642 1HB ARG 38 2HB ARG 38 -31.604 -11.074 -14.726 643 2HB ARG 38 1HB ARG 38 -31.187 -9.460 -14.152 644 1HG ARG 38 2HG ARG 38 -29.254 -10.914 -13.877 645 2HG ARG 38 1HG ARG 38 -29.895 -10.510 -12.284 646 1HD ARG 38 2HD ARG 38 -30.993 -12.657 -12.097 647 2HD ARG 38 1HD ARG 38 -30.611 -13.052 -13.785 648 HE ARG 38 HE ARG 38 -28.135 -12.687 -12.951 649 1HH1 ARG 38 2HH1 ARG 38 -28.418 -12.484 -10.132 650 2HH1 ARG 38 1HH1 ARG 38 -28.456 -14.118 -9.562 651 1HH2 ARG 38 1HH2 ARG 38 -29.199 -15.464 -12.670 652 2HH2 ARG 38 2HH2 ARG 38 -28.898 -15.806 -10.998 653 H LYS 39 H LYS 39 -33.038 -8.057 -13.078 654 HA LYS 39 HA LYS 39 -31.580 -6.974 -10.880 655 1HB LYS 39 2HB LYS 39 -32.388 -5.678 -12.792 656 2HB LYS 39 1HB LYS 39 -34.060 -6.032 -12.355 657 1HG LYS 39 2HG LYS 39 -32.379 -4.811 -10.232 658 2HG LYS 39 1HG LYS 39 -32.802 -3.768 -11.590 659 1HD LYS 39 2HD LYS 39 -35.212 -4.529 -11.261 660 2HD LYS 39 1HD LYS 39 -34.682 -5.245 -9.738 661 1HE LYS 39 2HE LYS 39 -35.340 -3.123 -9.007 662 2HE LYS 39 1HE LYS 39 -33.629 -2.818 -9.368 663 1HZ LYS 39 1HZ LYS 39 -35.829 -2.508 -11.341 664 2HZ LYS 39 3HZ LYS 39 -35.167 -1.221 -10.458 665 3HZ LYS 39 2HZ LYS 39 -34.198 -2.084 -11.555 666 H ARG 40 H ARG 40 -34.959 -8.083 -11.145 667 HA ARG 40 HA ARG 40 -35.321 -7.599 -8.216 668 1HB ARG 40 2HB ARG 40 -37.300 -8.270 -10.417 669 2HB ARG 40 1HB ARG 40 -37.705 -7.765 -8.776 670 1HG ARG 40 2HG ARG 40 -36.501 -5.622 -9.184 671 2HG ARG 40 1HG ARG 40 -36.226 -6.131 -10.851 672 1HD ARG 40 2HD ARG 40 -38.244 -5.231 -11.369 673 2HD ARG 40 1HD ARG 40 -38.994 -6.499 -10.381 674 HE ARG 40 HE ARG 40 -38.021 -4.554 -8.584 675 1HH1 ARG 40 1HH2 ARG 40 -39.069 -2.930 -11.024 676 2HH1 ARG 40 2HH2 ARG 40 -40.662 -2.545 -10.466 677 1HH2 ARG 40 2HH1 ARG 40 -40.613 -4.878 -7.900 678 2HH2 ARG 40 1HH1 ARG 40 -41.537 -3.648 -8.697 679 H HIS 41 H HIS 41 -34.171 -10.024 -10.061 680 HA HIS 41 HA HIS 41 -34.063 -12.360 -9.827 681 1HB HIS 41 2HB HIS 41 -34.539 -11.113 -7.197 682 2HB HIS 41 1HB HIS 41 -34.955 -12.823 -7.268 683 HD1 HIS 41 HD1 HIS 41 -32.956 -13.857 -6.113 684 HD2 HIS 41 HD2 HIS 41 -31.844 -11.199 -9.126 685 HE1 HIS 41 HE1 HIS 41 -30.449 -14.095 -6.388 686 H ILE 42 H ILE 42 -36.158 -11.944 -11.331 687 HA ILE 42 HA ILE 42 -38.612 -12.994 -10.013 688 HB ILE 42 HB ILE 42 -38.110 -11.921 -12.808 689 1HG1 ILE 42 2HG1 ILE 42 -39.277 -10.520 -10.382 690 2HG1 ILE 42 1HG1 ILE 42 -37.634 -10.281 -10.975 691 1HG2 ILE 42 2HG2 ILE 42 -40.155 -13.405 -12.336 692 2HG2 ILE 42 1HG2 ILE 42 -40.725 -12.094 -11.304 693 3HG2 ILE 42 3HG2 ILE 42 -40.476 -11.815 -13.028 694 1HD1 ILE 42 2HD1 ILE 42 -39.332 -10.003 -13.221 695 2HD1 ILE 42 1HD1 ILE 42 -40.078 -9.078 -11.918 696 3HD1 ILE 42 3HD1 ILE 42 -38.419 -8.733 -12.405 697 H LYS 43 H LYS 43 -39.603 -14.914 -10.770 698 HA LYS 43 HA LYS 43 -37.803 -16.934 -11.865 699 1HB LYS 43 2HB LYS 43 -40.311 -16.723 -10.452 700 2HB LYS 43 1HB LYS 43 -40.494 -17.825 -11.818 701 1HG LYS 43 2HG LYS 43 -37.980 -18.188 -10.333 702 2HG LYS 43 1HG LYS 43 -39.425 -18.518 -9.377 703 1HD LYS 43 2HD LYS 43 -39.294 -20.575 -10.356 704 2HD LYS 43 1HD LYS 43 -40.082 -19.760 -11.708 705 1HE LYS 43 2HE LYS 43 -38.219 -20.773 -12.743 706 2HE LYS 43 1HE LYS 43 -37.614 -19.139 -12.405 707 1HZ LYS 43 2HZ LYS 43 -37.386 -21.363 -10.458 708 2HZ LYS 43 1HZ LYS 43 -36.168 -21.022 -11.594 709 3HZ LYS 43 3HZ LYS 43 -36.588 -19.862 -10.429 710 H CYS 44 H CYS 44 -37.400 -15.903 -14.004 711 HA CYS 44 HA CYS 44 -39.353 -15.222 -15.916 712 1HB CYS 44 2HB CYS 44 -36.831 -14.929 -15.953 713 2HB CYS 44 1HB CYS 44 -36.714 -16.623 -16.423 714 HA PRO 45 HA PRO 45 -41.277 -19.189 -16.699 715 1HB PRO 45 2HB PRO 45 -41.981 -18.413 -19.376 716 2HB PRO 45 1HB PRO 45 -43.020 -18.462 -17.950 717 1HG PRO 45 2HG PRO 45 -42.020 -16.148 -19.313 718 2HG PRO 45 1HG PRO 45 -43.040 -16.201 -17.872 719 1HD PRO 45 2HD PRO 45 -40.253 -15.467 -18.049 720 2HD PRO 45 1HD PRO 45 -41.286 -15.499 -16.600 721 H GLY 46 H GLY 46 -40.052 -18.038 -19.852 722 1HA GLY 46 2HA GLY 46 -37.676 -19.202 -20.272 723 2HA GLY 46 1HA GLY 46 -38.696 -20.641 -20.229 724 H GLY 47 H GLY 47 -38.074 -17.638 -21.978 725 1HA GLY 47 2HA GLY 47 -38.708 -18.843 -24.512 726 2HA GLY 47 1HA GLY 47 -40.035 -17.806 -23.987 727 H ASN 48 H ASN 48 -39.030 -16.858 -26.189 728 HA ASN 48 HA ASN 48 -37.444 -14.497 -25.339 729 1HB ASN 48 2HB ASN 48 -36.521 -16.779 -26.948 730 2HB ASN 48 1HB ASN 48 -36.210 -15.211 -27.694 731 1HD2 ASN 48 2HD2 ASN 48 -34.240 -14.112 -24.780 732 2HD2 ASN 48 1HD2 ASN 48 -35.533 -13.526 -25.714 733 HA PRO 49 HA PRO 49 -37.972 -12.560 -25.246 734 1HB PRO 49 2HB PRO 49 -40.570 -11.375 -24.960 735 2HB PRO 49 1HB PRO 49 -39.076 -10.584 -25.450 736 1HG PRO 49 2HG PRO 49 -41.347 -11.148 -27.073 737 2HG PRO 49 1HG PRO 49 -39.811 -10.446 -27.582 738 1HD PRO 49 2HD PRO 49 -40.837 -13.118 -28.106 739 2HD PRO 49 1HD PRO 49 -39.352 -12.359 -28.732 740 H CYS 50 H CYS 50 -38.584 -12.914 -22.984 741 HA CYS 50 HA CYS 50 -39.895 -15.414 -22.436 742 1HB CYS 50 2HB CYS 50 -39.542 -14.712 -20.097 743 2HB CYS 50 1HB CYS 50 -38.117 -14.347 -21.066 744 H GLN 51 H GLN 51 -41.378 -14.006 -20.039 745 HA GLN 51 HA GLN 51 -43.719 -12.970 -21.580 746 1HB GLN 51 2HB GLN 51 -43.918 -15.418 -21.203 747 2HB GLN 51 1HB GLN 51 -43.764 -15.147 -19.469 748 1HG GLN 51 2HG GLN 51 -46.037 -15.038 -19.519 749 2HG GLN 51 1HG GLN 51 -45.760 -13.391 -20.089 750 1HE2 GLN 51 2HE2 GLN 51 -46.063 -14.767 -23.612 751 2HE2 GLN 51 1HE2 GLN 51 -44.743 -14.160 -22.736 752 H LYS 52 H LYS 52 -42.235 -13.466 -18.377 753 HA LYS 52 HA LYS 52 -43.964 -11.840 -16.830 754 1HB LYS 52 2HB LYS 52 -41.067 -12.649 -16.707 755 2HB LYS 52 1HB LYS 52 -41.740 -11.576 -15.477 756 1HG LYS 52 2HG LYS 52 -43.236 -14.078 -16.174 757 2HG LYS 52 1HG LYS 52 -41.809 -14.202 -15.144 758 1HD LYS 52 2HD LYS 52 -43.186 -12.023 -14.096 759 2HD LYS 52 1HD LYS 52 -44.466 -13.165 -14.509 760 1HE LYS 52 2HE LYS 52 -42.139 -14.436 -13.221 761 2HE LYS 52 1HE LYS 52 -42.990 -13.273 -12.185 762 1HZ LYS 52 1HZ LYS 52 -44.352 -15.356 -13.808 763 2HZ LYS 52 3HZ LYS 52 -43.981 -15.539 -12.162 764 3HZ LYS 52 2HZ LYS 52 -45.063 -14.326 -12.658 765 H CYS 53 H CYS 53 -41.432 -10.929 -19.073 766 HA CYS 53 HA CYS 53 -41.479 -8.103 -18.154 767 1HB CYS 53 2HB CYS 53 -39.861 -9.902 -19.873 768 2HB CYS 53 1HB CYS 53 -39.781 -8.178 -20.208 769 H VAL 54 H VAL 54 -42.268 -10.128 -20.962 770 HA VAL 54 HA VAL 54 -43.032 -8.000 -22.722 771 HB VAL 54 HB VAL 54 -44.264 -10.771 -22.671 772 1HG1 VAL 54 2HG1 VAL 54 -44.455 -8.610 -24.421 773 2HG1 VAL 54 1HG1 VAL 54 -43.295 -9.688 -25.205 774 3HG1 VAL 54 3HG1 VAL 54 -44.904 -10.278 -24.779 775 1HG2 VAL 54 2HG2 VAL 54 -41.472 -9.972 -23.525 776 2HG2 VAL 54 1HG2 VAL 54 -41.929 -11.255 -22.405 777 3HG2 VAL 54 3HG2 VAL 54 -42.272 -11.424 -24.123 778 H THR 55 H THR 55 -44.625 -9.794 -20.192 779 HA THR 55 HA THR 55 -47.300 -8.793 -20.694 780 HB THR 55 HB THR 55 -46.666 -10.937 -19.582 781 HG1 THR 55 HG1 THR 55 -48.078 -9.224 -17.832 782 1HG2 THR 55 1HG2 THR 55 -44.768 -9.730 -18.306 783 2HG2 THR 55 3HG2 THR 55 -46.016 -9.326 -17.131 784 3HG2 THR 55 2HG2 THR 55 -45.640 -11.015 -17.476 785 H SER 56 H SER 56 -44.584 -7.869 -18.607 786 HA SER 56 HA SER 56 -46.165 -5.798 -17.234 787 1HB SER 56 2HB SER 56 -43.294 -6.750 -17.214 788 2HB SER 56 1HB SER 56 -43.803 -5.338 -16.295 789 HG SER 56 HG SER 56 -44.168 -6.916 -14.888 790 H ASN 57 H ASN 57 -42.931 -5.290 -18.558 791 HA ASN 57 HA ASN 57 -43.516 -3.802 -20.855 792 1HB ASN 57 2HB ASN 57 -43.252 -1.467 -19.820 793 2HB ASN 57 1HB ASN 57 -44.789 -2.270 -19.548 794 1HD2 ASN 57 2HD2 ASN 57 -44.426 -2.051 -16.059 795 2HD2 ASN 57 1HD2 ASN 57 -45.460 -2.122 -17.402 796 H ALA 58 H ALA 58 -41.470 -5.480 -19.811 797 HA ALA 58 HA ALA 58 -39.117 -3.612 -19.822 798 1HB ALA 58 1HB ALA 58 -39.865 -6.034 -18.253 799 2HB ALA 58 3HB ALA 58 -38.160 -5.848 -18.664 800 3HB ALA 58 2HB ALA 58 -38.987 -4.593 -17.740 801 H ILE 59 H ILE 59 -37.175 -4.492 -20.890 802 HA ILE 59 HA ILE 59 -37.817 -5.942 -23.347 803 HB ILE 59 HB ILE 59 -35.152 -5.029 -22.222 804 1HG1 ILE 59 2HG1 ILE 59 -37.142 -3.535 -23.965 805 2HG1 ILE 59 1HG1 ILE 59 -36.756 -3.153 -22.285 806 1HG2 ILE 59 1HG2 ILE 59 -35.837 -6.497 -24.524 807 2HG2 ILE 59 3HG2 ILE 59 -35.515 -4.857 -25.090 808 3HG2 ILE 59 2HG2 ILE 59 -34.285 -5.733 -24.177 809 1HD1 ILE 59 2HD1 ILE 59 -34.353 -2.849 -22.989 810 2HD1 ILE 59 1HD1 ILE 59 -34.882 -3.023 -24.663 811 3HD1 ILE 59 3HD1 ILE 59 -35.463 -1.670 -23.690 812 H CYS 60 H CYS 60 -37.281 -8.050 -23.759 813 HA CYS 60 HA CYS 60 -36.199 -9.653 -21.484 814 1HB CYS 60 2HB CYS 60 -37.670 -10.681 -23.922 815 2HB CYS 60 1HB CYS 60 -37.531 -11.430 -22.338 816 H GLU 61 H GLU 61 -33.992 -9.878 -21.810 817 HA GLU 61 HA GLU 61 -33.121 -11.008 -24.434 818 1HB GLU 61 2HB GLU 61 -32.545 -8.381 -23.255 819 2HB GLU 61 1HB GLU 61 -31.089 -9.266 -23.709 820 1HG GLU 61 2HG GLU 61 -32.196 -9.701 -25.959 821 2HG GLU 61 1HG GLU 61 -33.431 -8.535 -25.481 822 H TYR 62 H TYR 62 -31.313 -12.398 -24.247 823 HA TYR 62 HA TYR 62 -30.379 -12.944 -21.445 824 1HB TYR 62 2HB TYR 62 -30.842 -14.775 -23.823 825 2HB TYR 62 1HB TYR 62 -30.145 -15.299 -22.291 826 HD1 TYR 62 HD1 TYR 62 -31.759 -13.731 -20.335 827 HD2 TYR 62 HD2 TYR 62 -32.957 -15.843 -23.907 828 HE1 TYR 62 HE1 TYR 62 -34.047 -14.025 -19.396 829 HE2 TYR 62 HE2 TYR 62 -35.245 -16.137 -22.965 830 HH TYR 62 HH TYR 62 -36.243 -16.205 -20.536 831 H LEU 63 H LEU 63 -28.994 -11.030 -22.936 832 HA LEU 63 HA LEU 63 -26.541 -12.529 -23.803 833 1HB LEU 63 2HB LEU 63 -28.235 -10.591 -25.113 834 2HB LEU 63 1HB LEU 63 -26.606 -9.937 -24.948 835 HG LEU 63 HG LEU 63 -26.848 -11.215 -27.051 836 1HD1 LEU 63 1HD1 LEU 63 -24.900 -11.675 -24.971 837 2HD1 LEU 63 3HD1 LEU 63 -25.102 -13.139 -25.934 838 3HD1 LEU 63 2HD1 LEU 63 -24.660 -11.623 -26.718 839 1HD2 LEU 63 1HD2 LEU 63 -28.429 -12.895 -25.540 840 2HD2 LEU 63 3HD2 LEU 63 -27.799 -13.278 -27.142 841 3HD2 LEU 63 2HD2 LEU 63 -26.943 -13.830 -25.702 842 H GLU 64 H GLU 64 -24.630 -11.880 -22.840 843 HA GLU 64 HA GLU 64 -24.664 -9.379 -21.188 844 1HB GLU 64 2HB GLU 64 -24.916 -11.852 -20.143 845 2HB GLU 64 1HB GLU 64 -23.157 -11.778 -20.253 846 1HG GLU 64 2HG GLU 64 -23.814 -10.928 -18.079 847 2HG GLU 64 1HG GLU 64 -23.241 -9.572 -19.051 848 HA PRO 65 HA PRO 65 -21.029 -9.688 -24.157 849 1HB PRO 65 2HB PRO 65 -21.279 -6.839 -24.473 850 2HB PRO 65 1HB PRO 65 -21.578 -8.098 -25.675 851 1HG PRO 65 2HG PRO 65 -23.507 -6.455 -24.332 852 2HG PRO 65 1HG PRO 65 -23.801 -7.719 -25.530 853 1HD PRO 65 2HD PRO 65 -24.364 -7.818 -22.694 854 2HD PRO 65 1HD PRO 65 -24.638 -9.091 -23.910 855 H SER 66 H SER 66 -19.045 -9.582 -23.167 856 HA SER 66 HA SER 66 -18.718 -7.838 -20.776 857 1HB SER 66 2HB SER 66 -17.656 -10.388 -21.823 858 2HB SER 66 1HB SER 66 -16.458 -9.377 -21.019 859 HG SER 66 HG SER 66 -17.578 -10.763 -19.565 860 H LYS 67 H LYS 67 -18.749 -6.270 -22.997 861 HA LYS 67 HA LYS 67 -16.541 -5.863 -24.615 862 1HB LYS 67 2HB LYS 67 -18.596 -4.167 -23.304 863 2HB LYS 67 1HB LYS 67 -17.197 -3.311 -23.954 864 1HG LYS 67 2HG LYS 67 -17.560 -4.195 -26.150 865 2HG LYS 67 1HG LYS 67 -18.756 -5.348 -25.558 866 1HD LYS 67 2HD LYS 67 -20.368 -3.665 -25.180 867 2HD LYS 67 1HD LYS 67 -19.162 -2.379 -25.216 868 1HE LYS 67 2HE LYS 67 -19.279 -2.197 -27.484 869 2HE LYS 67 1HE LYS 67 -19.263 -3.958 -27.704 870 1HZ LYS 67 3HZ LYS 67 -21.577 -3.969 -26.833 871 2HZ LYS 67 2HZ LYS 67 -21.570 -2.271 -26.895 872 3HZ LYS 67 1HZ LYS 67 -21.415 -3.178 -28.324 873 H LYS 68 H LYS 68 -16.813 -3.697 -21.805 874 HA LYS 68 HA LYS 68 -15.141 -2.849 -20.369 875 1HB LYS 68 2HB LYS 68 -14.029 -5.627 -20.895 876 2HB LYS 68 1HB LYS 68 -13.598 -4.588 -19.536 877 1HG LYS 68 2HG LYS 68 -16.254 -4.565 -19.210 878 2HG LYS 68 1HG LYS 68 -16.110 -6.122 -20.027 879 1HD LYS 68 2HD LYS 68 -14.495 -6.889 -18.364 880 2HD LYS 68 1HD LYS 68 -14.518 -5.311 -17.577 881 1HE LYS 68 2HE LYS 68 -17.180 -5.875 -17.566 882 2HE LYS 68 1HE LYS 68 -16.504 -7.511 -17.434 883 1HZ LYS 68 1HZ LYS 68 -15.454 -5.261 -15.828 884 2HZ LYS 68 3HZ LYS 68 -16.759 -6.196 -15.283 885 3HZ LYS 68 2HZ LYS 68 -15.253 -6.927 -15.568 886 H ILE 69 H ILE 69 -12.691 -2.363 -20.311 887 HA ILE 69 HA ILE 69 -11.796 -1.821 -23.097 888 HB ILE 69 HB ILE 69 -12.021 -0.080 -21.243 889 1HG1 ILE 69 2HG1 ILE 69 -9.896 1.050 -21.874 890 2HG1 ILE 69 1HG1 ILE 69 -9.337 -0.461 -22.590 891 1HG2 ILE 69 2HG2 ILE 69 -9.552 -1.507 -20.238 892 2HG2 ILE 69 1HG2 ILE 69 -10.102 0.071 -19.675 893 3HG2 ILE 69 3HG2 ILE 69 -11.094 -1.359 -19.396 894 1HD1 ILE 69 3HD1 ILE 69 -11.946 0.048 -23.612 895 2HD1 ILE 69 2HD1 ILE 69 -11.021 1.542 -23.759 896 3HD1 ILE 69 1HD1 ILE 69 -10.418 0.056 -24.493 897 H VAL 70 H VAL 70 -9.757 -2.523 -23.850 898 HA VAL 70 HA VAL 70 -8.035 -4.130 -22.053 899 HB VAL 70 HB VAL 70 -9.010 -5.337 -24.650 900 1HG1 VAL 70 1HG1 VAL 70 -6.956 -6.168 -23.428 901 2HG1 VAL 70 3HG1 VAL 70 -8.016 -6.607 -22.088 902 3HG1 VAL 70 2HG1 VAL 70 -8.213 -7.383 -23.661 903 1HG2 VAL 70 1HG2 VAL 70 -10.253 -5.670 -21.895 904 2HG2 VAL 70 3HG2 VAL 70 -11.034 -4.954 -23.306 905 3HG2 VAL 70 2HG2 VAL 70 -10.629 -6.672 -23.297 906 H VAL 71 H VAL 71 -6.216 -2.877 -22.454 907 HA VAL 71 HA VAL 71 -4.953 -3.112 -25.068 908 HB VAL 71 HB VAL 71 -4.808 -0.439 -25.093 909 1HG1 VAL 71 2HG1 VAL 71 -5.911 -2.245 -26.691 910 2HG1 VAL 71 1HG1 VAL 71 -7.407 -1.555 -26.062 911 3HG1 VAL 71 3HG1 VAL 71 -6.244 -0.526 -26.898 912 1HG2 VAL 71 1HG2 VAL 71 -6.533 -0.723 -22.977 913 2HG2 VAL 71 3HG2 VAL 71 -6.440 0.708 -23.998 914 3HG2 VAL 71 2HG2 VAL 71 -7.655 -0.529 -24.318 915 H SER 72 H SER 72 -4.462 -0.334 -22.922 916 HA SER 72 HA SER 72 -2.100 -1.684 -21.706 917 1HB SER 72 2HB SER 72 -1.293 -0.709 -23.770 918 2HB SER 72 1HB SER 72 -2.103 0.815 -23.420 919 HG SER 72 HG SER 72 -0.222 1.277 -22.570 920 H THR 73 H THR 73 -1.884 -1.075 -19.579 921 HA THR 73 HA THR 73 -3.725 0.699 -18.278 922 HB THR 73 HB THR 73 -2.472 -1.167 -17.221 923 HG1 THR 73 HG1 THR 73 -3.150 0.297 -15.765 924 1HG2 THR 73 1HG2 THR 73 -0.338 -0.465 -18.566 925 2HG2 THR 73 3HG2 THR 73 -0.033 0.588 -17.185 926 3HG2 THR 73 2HG2 THR 73 -0.150 -1.157 -16.956 927 H LYS 74 H LYS 74 -0.464 1.179 -19.603 928 HA LYS 74 HA LYS 74 0.142 3.733 -18.548 929 1HB LYS 74 2HB LYS 74 1.566 2.207 -19.974 930 2HB LYS 74 1HB LYS 74 0.617 2.726 -21.365 931 1HG LYS 74 2HG LYS 74 1.383 5.090 -20.026 932 2HG LYS 74 1HG LYS 74 2.823 4.074 -20.088 933 1HD LYS 74 2HD LYS 74 2.309 3.707 -22.555 934 2HD LYS 74 1HD LYS 74 1.108 4.989 -22.406 935 1HE LYS 74 2HE LYS 74 2.910 6.310 -22.996 936 2HE LYS 74 1HE LYS 74 3.247 6.216 -21.255 937 1HZ LYS 74 1HZ LYS 74 4.177 4.148 -23.159 938 2HZ LYS 74 3HZ LYS 74 5.115 5.512 -22.793 939 3HZ LYS 74 2HZ LYS 74 4.697 4.416 -21.565 940 H TYR 75 H TYR 75 -2.111 2.727 -21.026 941 HA TYR 75 HA TYR 75 -2.665 5.221 -22.300 942 1HB TYR 75 2HB TYR 75 -3.373 2.688 -22.684 943 2HB TYR 75 1HB TYR 75 -4.767 3.153 -21.712 944 HD1 TYR 75 HD1 TYR 75 -5.271 5.927 -22.493 945 HD2 TYR 75 HD2 TYR 75 -4.092 2.551 -24.915 946 HE1 TYR 75 HE1 TYR 75 -6.302 7.003 -24.492 947 HE2 TYR 75 HE2 TYR 75 -5.120 3.626 -26.914 948 HH TYR 75 HH TYR 75 -6.329 6.933 -26.816 949 H LEU 76 H LEU 76 -4.232 3.599 -19.531 950 HA LEU 76 HA LEU 76 -6.157 5.596 -18.909 951 1HB LEU 76 2HB LEU 76 -4.770 3.316 -17.599 952 2HB LEU 76 1HB LEU 76 -5.560 4.459 -16.516 953 HG LEU 76 HG LEU 76 -7.094 2.638 -17.149 954 1HD1 LEU 76 2HD1 LEU 76 -7.803 5.125 -16.884 955 2HD1 LEU 76 1HD1 LEU 76 -8.011 5.093 -18.635 956 3HD1 LEU 76 3HD1 LEU 76 -8.952 4.005 -17.615 957 1HD2 LEU 76 3HD2 LEU 76 -5.865 2.558 -19.512 958 2HD2 LEU 76 2HD2 LEU 76 -7.537 2.030 -19.335 959 3HD2 LEU 76 1HD2 LEU 76 -7.181 3.638 -19.965 960 H GLN 77 H GLN 77 -2.843 5.112 -17.648 961 HA GLN 77 HA GLN 77 -2.812 7.348 -15.871 962 1HB GLN 77 2HB GLN 77 -1.044 5.330 -16.967 963 2HB GLN 77 1HB GLN 77 -0.213 6.881 -16.861 964 1HG GLN 77 2HG GLN 77 0.035 5.609 -14.762 965 2HG GLN 77 1HG GLN 77 -0.892 7.088 -14.498 966 1HE2 GLN 77 2HE2 GLN 77 -3.496 5.209 -13.067 967 2HE2 GLN 77 1HE2 GLN 77 -2.501 6.582 -12.996 968 H GLN 78 H GLN 78 -1.636 7.039 -19.246 969 HA GLN 78 HA GLN 78 -0.599 9.629 -19.613 970 1HB GLN 78 2HB GLN 78 -1.195 7.354 -21.121 971 2HB GLN 78 1HB GLN 78 -2.141 8.631 -21.886 972 1HG GLN 78 2HG GLN 78 0.792 8.943 -21.205 973 2HG GLN 78 1HG GLN 78 0.227 8.367 -22.773 974 1HE2 GLN 78 2HE2 GLN 78 -0.737 11.576 -23.900 975 2HE2 GLN 78 1HE2 GLN 78 -0.664 9.914 -24.240 976 H LEU 79 H LEU 79 -3.963 8.529 -19.664 977 HA LEU 79 HA LEU 79 -5.002 11.128 -20.560 978 1HB LEU 79 2HB LEU 79 -6.037 8.425 -19.763 979 2HB LEU 79 1HB LEU 79 -7.164 9.777 -19.807 980 HG LEU 79 HG LEU 79 -6.957 8.416 -21.966 981 1HD1 LEU 79 3HD1 LEU 79 -6.478 11.401 -21.885 982 2HD1 LEU 79 2HD1 LEU 79 -6.870 10.532 -23.370 983 3HD1 LEU 79 1HD1 LEU 79 -8.020 10.556 -22.032 984 1HD2 LEU 79 1HD2 LEU 79 -4.314 9.914 -22.074 985 2HD2 LEU 79 3HD2 LEU 79 -4.507 8.163 -21.976 986 3HD2 LEU 79 2HD2 LEU 79 -5.033 9.027 -23.419 987 H GLN 80 H GLN 80 -4.479 9.426 -17.527 988 HA GLN 80 HA GLN 80 -6.132 11.224 -15.926 989 1HB GLN 80 2HB GLN 80 -4.743 8.741 -15.716 990 2HB GLN 80 1HB GLN 80 -4.134 9.794 -14.438 991 1HG GLN 80 2HG GLN 80 -5.997 9.325 -13.263 992 2HG GLN 80 1HG GLN 80 -6.922 10.199 -14.482 993 1HE2 GLN 80 2HE2 GLN 80 -7.247 6.893 -16.314 994 2HE2 GLN 80 1HE2 GLN 80 -6.386 8.312 -16.667 995 H LYS 81 H LYS 81 -2.734 10.981 -16.862 996 HA LYS 81 HA LYS 81 -1.871 13.118 -15.040 997 1HB LYS 81 2HB LYS 81 -0.617 11.539 -17.307 998 2HB LYS 81 1HB LYS 81 0.262 12.785 -16.420 999 1HG LYS 81 2HG LYS 81 -1.146 10.814 -14.726 1000 2HG LYS 81 1HG LYS 81 0.187 10.159 -15.678 1001 1HD LYS 81 2HD LYS 81 1.774 11.524 -14.646 1002 2HD LYS 81 1HD LYS 81 0.574 12.726 -14.169 1003 1HE LYS 81 2HE LYS 81 -0.392 11.050 -12.562 1004 2HE LYS 81 1HE LYS 81 0.957 9.965 -12.959 1005 1HZ LYS 81 3HZ LYS 81 2.479 11.822 -12.423 1006 2HZ LYS 81 2HZ LYS 81 1.149 12.726 -11.876 1007 3HZ LYS 81 1HZ LYS 81 1.588 11.291 -11.081 1008 H ASP 82 H ASP 82 -2.305 12.742 -18.583 1009 HA ASP 82 HA ASP 82 -1.646 15.381 -19.370 1010 1HB ASP 82 2HB ASP 82 -2.246 13.291 -20.751 1011 2HB ASP 82 1HB ASP 82 -3.933 13.721 -20.471 1012 H LEU 83 H LEU 83 -4.692 14.013 -18.155 1013 HA LEU 83 HA LEU 83 -6.317 16.355 -18.362 1014 1HB LEU 83 2HB LEU 83 -7.147 14.075 -17.943 1015 2HB LEU 83 1HB LEU 83 -6.307 14.042 -16.394 1016 HG LEU 83 HG LEU 83 -8.133 16.338 -16.834 1017 1HD1 LEU 83 3HD1 LEU 83 -9.231 14.131 -17.726 1018 2HD1 LEU 83 2HD1 LEU 83 -9.332 13.701 -16.019 1019 3HD1 LEU 83 1HD1 LEU 83 -10.142 15.151 -16.612 1020 1HD2 LEU 83 3HD2 LEU 83 -7.008 14.702 -14.653 1021 2HD2 LEU 83 2HD2 LEU 83 -7.460 16.407 -14.660 1022 3HD2 LEU 83 1HD2 LEU 83 -8.692 15.168 -14.410 1023 H ASN 84 H ASN 84 -4.146 15.167 -15.792 1024 HA ASN 84 HA ASN 84 -4.746 17.241 -13.881 1025 1HB ASN 84 2HB ASN 84 -3.251 14.902 -14.065 1026 2HB ASN 84 1HB ASN 84 -2.030 16.152 -13.855 1027 1HD2 ASN 84 2HD2 ASN 84 -2.673 15.960 -10.382 1028 2HD2 ASN 84 1HD2 ASN 84 -1.533 15.780 -11.626 1029 H ASP 85 H ASP 85 -2.470 16.946 -16.574 1030 HA ASP 85 HA ASP 85 -0.911 19.303 -15.986 1031 1HB ASP 85 2HB ASP 85 -0.797 17.212 -17.737 1032 2HB ASP 85 1HB ASP 85 -1.375 18.489 -18.808 1033 H LYS 86 H LYS 86 -4.097 18.811 -17.245 1034 HA LYS 86 HA LYS 86 -4.297 21.425 -18.575 1035 1HB LYS 86 2HB LYS 86 -6.305 19.308 -17.711 1036 2HB LYS 86 1HB LYS 86 -6.715 20.721 -18.685 1037 1HG LYS 86 2HG LYS 86 -4.617 18.682 -19.477 1038 2HG LYS 86 1HG LYS 86 -6.288 18.640 -20.040 1039 1HD LYS 86 2HD LYS 86 -5.877 21.094 -20.781 1040 2HD LYS 86 1HD LYS 86 -4.164 20.701 -20.613 1041 1HE LYS 86 2HE LYS 86 -4.419 18.824 -22.194 1042 2HE LYS 86 1HE LYS 86 -6.149 19.190 -22.354 1043 1HZ LYS 86 2HZ LYS 86 -5.524 21.466 -23.009 1044 2HZ LYS 86 1HZ LYS 86 -3.887 21.010 -22.992 1045 3HZ LYS 86 3HZ LYS 86 -4.952 20.300 -24.105 1046 H THR 87 H THR 87 -4.866 19.949 -15.469 1047 HA THR 87 HA THR 87 -6.357 22.159 -14.292 1048 HB THR 87 HB THR 87 -4.939 19.648 -13.345 1049 HG1 THR 87 HG1 THR 87 -7.207 19.219 -12.783 1050 1HG2 THR 87 3HG2 THR 87 -5.770 21.969 -11.778 1051 2HG2 THR 87 2HG2 THR 87 -6.562 20.482 -11.257 1052 3HG2 THR 87 1HG2 THR 87 -4.802 20.576 -11.297 1053 H GLU 88 H GLU 88 -2.999 20.929 -14.189 1054 HA GLU 88 HA GLU 88 -1.911 22.944 -12.468 1055 1HB GLU 88 2HB GLU 88 -0.871 21.094 -14.616 1056 2HB GLU 88 1HB GLU 88 0.213 22.246 -13.834 1057 1HG GLU 88 2HG GLU 88 -0.500 21.321 -11.613 1058 2HG GLU 88 1HG GLU 88 -1.424 20.088 -12.472 1059 H GLU 89 H GLU 89 -2.525 22.783 -15.940 1060 HA GLU 89 HA GLU 89 -1.180 25.253 -16.644 1061 1HB GLU 89 2HB GLU 89 -2.857 23.179 -17.829 1062 2HB GLU 89 1HB GLU 89 -3.275 24.780 -18.440 1063 1HG GLU 89 2HG GLU 89 -1.558 24.066 -19.893 1064 2HG GLU 89 1HG GLU 89 -0.722 25.108 -18.741 1065 H ASN 90 H ASN 90 -4.595 24.380 -16.051 1066 HA ASN 90 HA ASN 90 -5.793 26.927 -16.294 1067 1HB ASN 90 2HB ASN 90 -6.340 24.303 -15.192 1068 2HB ASN 90 1HB ASN 90 -6.983 25.545 -14.121 1069 1HD2 ASN 90 2HD2 ASN 90 -9.080 24.671 -17.355 1070 2HD2 ASN 90 1HD2 ASN 90 -7.957 23.643 -16.604 1071 H ASN 91 H ASN 91 -3.784 25.552 -13.792 1072 HA ASN 91 HA ASN 91 -4.355 27.520 -11.730 1073 1HB ASN 91 2HB ASN 91 -2.642 25.183 -12.257 1074 2HB ASN 91 1HB ASN 91 -1.871 26.389 -11.232 1075 1HD2 ASN 91 2HD2 ASN 91 -5.147 24.352 -9.849 1076 2HD2 ASN 91 1HD2 ASN 91 -4.754 24.301 -11.500 1077 H ARG 92 H ARG 92 -1.882 27.108 -14.254 1078 HA ARG 92 HA ARG 92 -0.397 29.515 -13.475 1079 1HB ARG 92 2HB ARG 92 0.316 27.288 -14.687 1080 2HB ARG 92 1HB ARG 92 -0.246 28.127 -16.135 1081 1HG ARG 92 2HG ARG 92 1.599 29.415 -16.192 1082 2HG ARG 92 1HG ARG 92 1.389 29.880 -14.503 1083 1HD ARG 92 2HD ARG 92 2.307 27.463 -14.001 1084 2HD ARG 92 1HD ARG 92 2.965 27.585 -15.645 1085 HE ARG 92 HE ARG 92 4.300 29.465 -14.941 1086 1HH1 ARG 92 2HH1 ARG 92 3.583 27.437 -12.447 1087 2HH1 ARG 92 1HH1 ARG 92 3.769 28.598 -11.176 1088 1HH2 ARG 92 1HH2 ARG 92 3.963 31.313 -13.323 1089 2HH2 ARG 92 2HH2 ARG 92 3.985 30.792 -11.672 1090 H LEU 93 H LEU 93 -2.253 28.588 -16.400 1091 HA LEU 93 HA LEU 93 -2.357 31.051 -17.715 1092 1HB LEU 93 2HB LEU 93 -3.210 28.952 -18.618 1093 2HB LEU 93 1HB LEU 93 -4.458 28.887 -17.373 1094 HG LEU 93 HG LEU 93 -4.331 31.330 -19.084 1095 1HD1 LEU 93 1HD1 LEU 93 -4.287 28.879 -20.328 1096 2HD1 LEU 93 3HD1 LEU 93 -6.019 29.170 -20.161 1097 3HD1 LEU 93 2HD1 LEU 93 -5.006 30.336 -21.012 1098 1HD2 LEU 93 3HD2 LEU 93 -6.013 30.307 -17.113 1099 2HD2 LEU 93 2HD2 LEU 93 -6.398 31.635 -18.208 1100 3HD2 LEU 93 1HD2 LEU 93 -6.888 29.989 -18.610 1101 H LYS 94 H LYS 94 -4.108 29.999 -14.855 1102 HA LYS 94 HA LYS 94 -6.013 32.203 -14.828 1103 1HB LYS 94 2HB LYS 94 -6.435 30.050 -13.731 1104 2HB LYS 94 1HB LYS 94 -5.008 30.260 -12.719 1105 1HG LYS 94 2HG LYS 94 -6.178 32.497 -12.003 1106 2HG LYS 94 1HG LYS 94 -7.637 31.712 -12.607 1107 1HD LYS 94 2HD LYS 94 -6.870 29.690 -11.156 1108 2HD LYS 94 1HD LYS 94 -5.853 30.872 -10.333 1109 1HE LYS 94 2HE LYS 94 -7.943 32.292 -10.014 1110 2HE LYS 94 1HE LYS 94 -8.875 30.888 -10.570 1111 1HZ LYS 94 2HZ LYS 94 -6.852 30.771 -8.400 1112 2HZ LYS 94 1HZ LYS 94 -8.517 30.955 -8.119 1113 3HZ LYS 94 3HZ LYS 94 -7.936 29.546 -8.863 1114 H ALA 95 H ALA 95 -2.827 31.535 -13.414 1115 HA ALA 95 HA ALA 95 -2.833 34.170 -12.035 1116 1HB ALA 95 1HB ALA 95 -0.969 31.781 -12.115 1117 2HB ALA 95 3HB ALA 95 -0.615 33.245 -11.198 1118 3HB ALA 95 2HB ALA 95 -2.026 32.268 -10.788 1119 H LEU 96 H LEU 96 -2.352 33.307 -15.135 1120 HA LEU 96 HA LEU 96 0.120 34.946 -15.513 1121 1HB LEU 96 2HB LEU 96 -0.945 32.520 -16.611 1122 2HB LEU 96 1HB LEU 96 -0.835 33.710 -17.908 1123 HG LEU 96 HG LEU 96 1.490 33.528 -16.057 1124 1HD1 LEU 96 3HD1 LEU 96 0.521 31.149 -16.915 1125 2HD1 LEU 96 2HD1 LEU 96 1.496 31.596 -18.314 1126 3HD1 LEU 96 1HD1 LEU 96 2.244 31.470 -16.722 1127 1HD2 LEU 96 1HD2 LEU 96 0.888 34.181 -18.913 1128 2HD2 LEU 96 3HD2 LEU 96 1.891 35.051 -17.752 1129 3HD2 LEU 96 2HD2 LEU 96 2.505 33.591 -18.527 1130 H LEU 97 H LEU 97 -3.319 34.774 -16.162 1131 HA LEU 97 HA LEU 97 -3.146 37.251 -17.833 1132 1HB LEU 97 2HB LEU 97 -5.213 35.053 -17.529 1133 2HB LEU 97 1HB LEU 97 -5.466 36.496 -18.509 1134 HG LEU 97 HG LEU 97 -3.234 34.478 -18.880 1135 1HD1 LEU 97 3HD1 LEU 97 -5.960 34.710 -19.923 1136 2HD1 LEU 97 2HD1 LEU 97 -4.748 34.645 -21.202 1137 3HD1 LEU 97 1HD1 LEU 97 -4.839 33.352 -20.008 1138 1HD2 LEU 97 2HD2 LEU 97 -3.718 37.210 -19.891 1139 2HD2 LEU 97 1HD2 LEU 97 -2.217 36.288 -19.820 1140 3HD2 LEU 97 3HD2 LEU 97 -3.352 36.025 -21.144 1141 H LEU 98 H LEU 98 -4.273 35.936 -14.812 1142 HA LEU 98 HA LEU 98 -6.358 37.803 -14.219 1143 1HB LEU 98 2HB LEU 98 -6.018 35.691 -13.044 1144 2HB LEU 98 1HB LEU 98 -4.421 36.212 -12.509 1145 HG LEU 98 HG LEU 98 -6.288 38.231 -11.782 1146 1HD1 LEU 98 1HD1 LEU 98 -7.144 35.401 -11.190 1147 2HD1 LEU 98 3HD1 LEU 98 -7.584 36.729 -10.118 1148 3HD1 LEU 98 2HD1 LEU 98 -8.121 36.738 -11.798 1149 1HD2 LEU 98 3HD2 LEU 98 -4.479 36.272 -10.401 1150 2HD2 LEU 98 2HD2 LEU 98 -4.379 38.032 -10.454 1151 3HD2 LEU 98 1HD2 LEU 98 -5.586 37.248 -9.435 1152 H GLU 99 H GLU 99 -2.861 37.933 -13.949 1153 HA GLU 99 HA GLU 99 -2.930 40.475 -12.438 1154 1HB GLU 99 2HB GLU 99 -1.277 38.290 -12.490 1155 2HB GLU 99 1HB GLU 99 -0.390 39.418 -13.517 1156 1HG GLU 99 2HG GLU 99 -1.453 40.747 -11.157 1157 2HG GLU 99 1HG GLU 99 -0.413 39.391 -10.718 1158 H ARG 100 HN ARG 100 -2.316 39.286 -15.698 1159 HA ARG 100 HA ARG 100 -1.976 42.129 -16.596 1160 1HB ARG 100 2HB ARG 100 0.140 40.795 -16.548 1161 2HB ARG 100 1HB ARG 100 -0.598 39.640 -17.658 1162 1HG ARG 100 2HG ARG 100 -0.673 42.517 -18.439 1163 2HG ARG 100 1HG ARG 100 0.884 41.695 -18.536 1164 1HD ARG 100 2HD ARG 100 -0.860 39.844 -19.657 1165 2HD ARG 100 1HD ARG 100 -1.465 41.400 -20.262 1166 HE ARG 100 HE ARG 100 1.331 41.541 -20.467 1167 1HH1 ARG 100 1HH1 ARG 100 1.427 38.726 -21.166 1168 2HH1 ARG 100 2HH1 ARG 100 1.059 38.705 -22.859 1169 1HH2 ARG 100 1HH2 ARG 100 -0.298 41.895 -22.875 1170 2HH2 ARG 100 2HH2 ARG 100 0.084 40.498 -23.825 No H/Q in entry = 1170 Start of MODEL 2 1 1H MET 30 2H MET 30 -5.283 -29.060 -13.374 2 2H MET 30 1H MET 30 -5.652 -30.716 -13.438 3 3H MET 30 3H MET 30 -4.922 -29.960 -14.769 4 HA MET 30 HA MET 30 -7.217 -30.223 -15.310 5 1HB MET 30 2HB MET 30 -7.332 -29.777 -12.449 6 2HB MET 30 1HB MET 30 -8.493 -28.738 -13.276 7 1HG MET 30 2HG MET 30 -9.099 -30.902 -14.612 8 2HG MET 30 1HG MET 30 -8.321 -31.741 -13.271 9 1HE MET 30 2HE MET 30 -8.683 -31.718 -11.207 10 2HE MET 30 1HE MET 30 -9.836 -30.812 -10.231 11 3HE MET 30 3HE MET 30 -10.294 -32.372 -10.928 12 H SER 31 H SER 31 -6.743 -27.296 -13.294 13 HA SER 31 HA SER 31 -6.376 -25.627 -15.702 14 1HB SER 31 2HB SER 31 -8.432 -24.255 -14.874 15 2HB SER 31 1HB SER 31 -8.732 -25.746 -15.762 16 HG SER 31 HG SER 31 -9.206 -25.111 -13.127 17 H VAL 32 H VAL 32 -6.455 -23.177 -14.851 18 HA VAL 32 HA VAL 32 -4.727 -23.109 -12.419 19 HB VAL 32 HB VAL 32 -5.273 -21.116 -14.644 20 1HG1 VAL 32 3HG1 VAL 32 -4.205 -20.688 -12.074 21 2HG1 VAL 32 2HG1 VAL 32 -2.814 -20.748 -13.157 22 3HG1 VAL 32 1HG1 VAL 32 -4.113 -19.594 -13.455 23 1HG2 VAL 32 3HG2 VAL 32 -3.843 -23.463 -14.769 24 2HG2 VAL 32 2HG2 VAL 32 -3.542 -22.053 -15.785 25 3HG2 VAL 32 1HG2 VAL 32 -2.594 -22.302 -14.318 26 H ALA 33 H ALA 33 -5.407 -22.023 -10.580 27 HA ALA 33 HA ALA 33 -8.209 -21.140 -10.447 28 1HB ALA 33 3HB ALA 33 -6.114 -22.092 -8.713 29 2HB ALA 33 2HB ALA 33 -6.769 -20.590 -8.061 30 3HB ALA 33 1HB ALA 33 -7.839 -21.956 -8.374 31 H CYS 34 H CYS 34 -8.808 -18.983 -9.669 32 HA CYS 34 HA CYS 34 -7.258 -16.845 -10.892 33 1HB CYS 34 2HB CYS 34 -9.633 -16.798 -9.002 34 2HB CYS 34 1HB CYS 34 -9.115 -15.476 -10.044 35 H LEU 35 H LEU 35 -7.035 -14.760 -9.347 36 HA LEU 35 HA LEU 35 -5.015 -15.385 -7.392 37 1HB LEU 35 2HB LEU 35 -6.393 -13.054 -8.553 38 2HB LEU 35 1HB LEU 35 -5.824 -12.803 -6.904 39 HG LEU 35 HG LEU 35 -3.605 -13.881 -7.790 40 1HD1 LEU 35 2HD1 LEU 35 -5.223 -13.504 -10.218 41 2HD1 LEU 35 1HD1 LEU 35 -3.613 -12.793 -10.322 42 3HD1 LEU 35 3HD1 LEU 35 -3.797 -14.510 -9.963 43 1HD2 LEU 35 3HD2 LEU 35 -4.098 -11.452 -7.098 44 2HD2 LEU 35 2HD2 LEU 35 -2.746 -11.697 -8.204 45 3HD2 LEU 35 1HD2 LEU 35 -4.295 -11.121 -8.819 46 H SER 36 H SER 36 -8.454 -14.702 -7.226 47 HA SER 36 HA SER 36 -8.596 -14.425 -4.339 48 1HB SER 36 2HB SER 36 -10.214 -13.911 -6.477 49 2HB SER 36 1HB SER 36 -10.934 -15.405 -5.885 50 HG SER 36 HG SER 36 -10.292 -13.219 -4.200 51 H CYS 37 H CYS 37 -9.155 -17.087 -6.642 52 HA CYS 37 HA CYS 37 -9.935 -19.038 -4.665 53 1HB CYS 37 2HB CYS 37 -8.691 -19.353 -7.418 54 2HB CYS 37 1HB CYS 37 -9.604 -20.587 -6.551 55 H ARG 38 H ARG 38 -6.863 -17.818 -5.801 56 HA ARG 38 HA ARG 38 -5.264 -20.059 -4.820 57 1HB ARG 38 2HB ARG 38 -4.847 -17.317 -5.963 58 2HB ARG 38 1HB ARG 38 -3.490 -18.110 -5.162 59 1HG ARG 38 2HG ARG 38 -5.128 -19.518 -7.273 60 2HG ARG 38 1HG ARG 38 -3.740 -18.513 -7.692 61 1HD ARG 38 2HD ARG 38 -2.468 -19.933 -5.901 62 2HD ARG 38 1HD ARG 38 -3.793 -21.091 -6.132 63 HE ARG 38 HE ARG 38 -3.244 -20.952 -8.617 64 1HH1 ARG 38 1HH2 ARG 38 -1.293 -19.038 -9.102 65 2HH1 ARG 38 2HH2 ARG 38 0.232 -19.808 -8.820 66 1HH2 ARG 38 2HH1 ARG 38 -1.124 -22.423 -6.992 67 2HH2 ARG 38 1HH1 ARG 38 0.328 -21.724 -7.625 68 H LYS 39 H LYS 39 -6.133 -16.812 -3.646 69 HA LYS 39 HA LYS 39 -4.475 -16.787 -1.318 70 1HB LYS 39 2HB LYS 39 -5.528 -14.799 -2.226 71 2HB LYS 39 1HB LYS 39 -7.133 -15.499 -2.013 72 1HG LYS 39 2HG LYS 39 -5.435 -15.354 0.421 73 2HG LYS 39 1HG LYS 39 -6.023 -13.816 -0.213 74 1HD LYS 39 2HD LYS 39 -8.246 -15.478 -0.375 75 2HD LYS 39 1HD LYS 39 -7.495 -15.938 1.153 76 1HE LYS 39 2HE LYS 39 -8.745 -14.136 1.906 77 2HE LYS 39 1HE LYS 39 -7.306 -13.246 1.372 78 1HZ LYS 39 3HZ LYS 39 -8.314 -13.046 -0.831 79 2HZ LYS 39 2HZ LYS 39 -9.714 -13.830 -0.272 80 3HZ LYS 39 1HZ LYS 39 -9.279 -12.311 0.354 81 H ARG 40 H ARG 40 -7.685 -18.153 -1.940 82 HA ARG 40 HA ARG 40 -7.849 -19.072 0.901 83 1HB ARG 40 2HB ARG 40 -9.878 -18.976 -1.352 84 2HB ARG 40 1HB ARG 40 -10.230 -19.408 0.323 85 1HG ARG 40 2HG ARG 40 -9.029 -17.068 0.767 86 2HG ARG 40 1HG ARG 40 -9.605 -16.751 -0.868 87 1HD ARG 40 2HD ARG 40 -11.801 -16.684 -0.214 88 2HD ARG 40 1HD ARG 40 -11.588 -18.000 0.958 89 HE ARG 40 HE ARG 40 -10.094 -15.928 2.026 90 1HH1 ARG 40 1HH2 ARG 40 -11.754 -13.856 0.939 91 2HH1 ARG 40 2HH2 ARG 40 -13.105 -13.768 2.020 92 1HH2 ARG 40 2HH1 ARG 40 -12.520 -16.884 3.427 93 2HH2 ARG 40 1HH1 ARG 40 -13.539 -15.483 3.428 94 H HIS 41 H HIS 41 -6.571 -20.192 -1.899 95 HA HIS 41 HA HIS 41 -6.118 -22.341 -2.750 96 1HB HIS 41 2HB HIS 41 -6.941 -23.065 0.083 97 2HB HIS 41 1HB HIS 41 -5.943 -24.043 -0.991 98 HD1 HIS 41 HD1 HIS 41 -5.866 -20.891 1.064 99 HD2 HIS 41 HD2 HIS 41 -3.254 -23.186 -1.237 100 HE1 HIS 41 HE1 HIS 41 -3.538 -20.002 1.521 101 H ILE 42 H ILE 42 -8.417 -21.669 -3.797 102 HA ILE 42 HA ILE 42 -10.508 -23.639 -2.990 103 HB ILE 42 HB ILE 42 -10.593 -21.292 -4.913 104 1HG1 ILE 42 2HG1 ILE 42 -11.544 -21.424 -2.035 105 2HG1 ILE 42 1HG1 ILE 42 -10.024 -20.684 -2.534 106 1HG2 ILE 42 3HG2 ILE 42 -12.370 -23.393 -4.587 107 2HG2 ILE 42 2HG2 ILE 42 -13.045 -22.137 -3.549 108 3HG2 ILE 42 1HG2 ILE 42 -12.768 -21.812 -5.259 109 1HD1 ILE 42 2HD1 ILE 42 -11.983 -19.620 -4.256 110 2HD1 ILE 42 1HD1 ILE 42 -12.697 -19.585 -2.644 111 3HD1 ILE 42 3HD1 ILE 42 -11.156 -18.782 -2.944 112 H LYS 43 H LYS 43 -11.225 -25.203 -4.451 113 HA LYS 43 HA LYS 43 -9.419 -25.983 -6.597 114 1HB LYS 43 2HB LYS 43 -12.142 -26.932 -5.648 115 2HB LYS 43 1HB LYS 43 -11.189 -27.765 -6.876 116 1HG LYS 43 2HG LYS 43 -9.764 -27.103 -4.358 117 2HG LYS 43 1HG LYS 43 -11.015 -28.342 -4.236 118 1HD LYS 43 2HD LYS 43 -9.871 -29.304 -6.403 119 2HD LYS 43 1HD LYS 43 -8.484 -28.363 -5.852 120 1HE LYS 43 2HE LYS 43 -9.559 -29.747 -3.583 121 2HE LYS 43 1HE LYS 43 -9.334 -30.916 -4.900 122 1HZ LYS 43 1HZ LYS 43 -7.316 -28.911 -4.035 123 2HZ LYS 43 3HZ LYS 43 -7.276 -30.559 -3.634 124 3HZ LYS 43 2HZ LYS 43 -7.113 -30.077 -5.255 125 H CYS 44 H CYS 44 -9.704 -23.825 -7.782 126 HA CYS 44 HA CYS 44 -12.051 -22.856 -8.936 127 1HB CYS 44 2HB CYS 44 -9.805 -21.832 -9.046 128 2HB CYS 44 1HB CYS 44 -9.281 -23.102 -10.153 129 HA PRO 45 HA PRO 45 -13.373 -26.226 -11.564 130 1HB PRO 45 2HB PRO 45 -14.738 -24.418 -13.336 131 2HB PRO 45 1HB PRO 45 -15.437 -25.438 -12.075 132 1HG PRO 45 2HG PRO 45 -15.164 -22.590 -12.063 133 2HG PRO 45 1HG PRO 45 -15.815 -23.618 -10.784 134 1HD PRO 45 2HD PRO 45 -13.287 -22.206 -10.829 135 2HD PRO 45 1HD PRO 45 -13.974 -23.191 -9.514 136 H GLY 46 H GLY 46 -12.461 -23.196 -13.256 137 1HA GLY 46 2HA GLY 46 -10.328 -23.331 -14.610 138 2HA GLY 46 1HA GLY 46 -10.933 -24.877 -15.204 139 H GLY 47 H GLY 47 -11.556 -21.392 -15.220 140 1HA GLY 47 2HA GLY 47 -12.475 -21.528 -17.980 141 2HA GLY 47 1HA GLY 47 -13.782 -21.174 -16.847 142 H ASN 48 H ASN 48 -13.432 -19.175 -18.520 143 HA ASN 48 HA ASN 48 -12.123 -17.084 -16.871 144 1HB ASN 48 2HB ASN 48 -11.178 -18.183 -19.427 145 2HB ASN 48 1HB ASN 48 -11.294 -16.422 -19.409 146 1HD2 ASN 48 2HD2 ASN 48 -9.032 -16.252 -16.483 147 2HD2 ASN 48 1HD2 ASN 48 -10.590 -15.695 -16.871 148 HA PRO 49 HA PRO 49 -13.068 -15.738 -15.758 149 1HB PRO 49 2HB PRO 49 -15.758 -15.578 -14.772 150 2HB PRO 49 1HB PRO 49 -14.568 -14.284 -14.869 151 1HG PRO 49 2HG PRO 49 -16.932 -14.580 -16.431 152 2HG PRO 49 1HG PRO 49 -15.687 -13.341 -16.589 153 1HD PRO 49 2HD PRO 49 -16.224 -15.598 -18.347 154 2HD PRO 49 1HD PRO 49 -15.067 -14.265 -18.579 155 H CYS 50 H CYS 50 -13.493 -17.163 -13.800 156 HA CYS 50 HA CYS 50 -14.102 -19.907 -14.634 157 1HB CYS 50 2HB CYS 50 -13.327 -20.406 -12.343 158 2HB CYS 50 1HB CYS 50 -12.219 -19.292 -13.140 159 H GLN 51 H GLN 51 -15.177 -20.344 -11.732 160 HA GLN 51 HA GLN 51 -17.937 -19.273 -12.187 161 1HB GLN 51 2HB GLN 51 -17.645 -21.594 -13.058 162 2HB GLN 51 1HB GLN 51 -17.167 -22.110 -11.440 163 1HG GLN 51 2HG GLN 51 -19.445 -22.607 -11.418 164 2HG GLN 51 1HG GLN 51 -19.439 -20.984 -10.728 165 1HE2 GLN 51 2HE2 GLN 51 -21.210 -19.550 -13.425 166 2HE2 GLN 51 1HE2 GLN 51 -20.461 -19.303 -11.922 167 H LYS 52 H LYS 52 -15.665 -20.782 -9.891 168 HA LYS 52 HA LYS 52 -17.222 -20.524 -7.529 169 1HB LYS 52 2HB LYS 52 -14.410 -20.898 -8.327 170 2HB LYS 52 1HB LYS 52 -14.617 -20.194 -6.721 171 1HG LYS 52 2HG LYS 52 -16.397 -22.478 -7.367 172 2HG LYS 52 1HG LYS 52 -14.685 -22.865 -7.188 173 1HD LYS 52 2HD LYS 52 -14.926 -21.315 -5.035 174 2HD LYS 52 1HD LYS 52 -16.613 -21.811 -5.160 175 1HE LYS 52 2HE LYS 52 -14.554 -23.960 -5.429 176 2HE LYS 52 1HE LYS 52 -14.832 -23.291 -3.808 177 1HZ LYS 52 3HZ LYS 52 -16.954 -24.248 -5.658 178 2HZ LYS 52 2HZ LYS 52 -16.381 -25.100 -4.305 179 3HZ LYS 52 1HZ LYS 52 -17.199 -23.626 -4.100 180 H CYS 53 H CYS 53 -15.386 -18.117 -9.307 181 HA CYS 53 HA CYS 53 -15.676 -16.136 -7.108 182 1HB CYS 53 2HB CYS 53 -14.224 -16.431 -9.697 183 2HB CYS 53 1HB CYS 53 -14.406 -14.827 -9.001 184 H VAL 54 H VAL 54 -16.681 -16.744 -10.462 185 HA VAL 54 HA VAL 54 -18.098 -14.297 -10.870 186 HB VAL 54 HB VAL 54 -18.857 -17.004 -12.012 187 1HG1 VAL 54 1HG1 VAL 54 -19.804 -14.432 -12.456 188 2HG1 VAL 54 3HG1 VAL 54 -18.666 -14.681 -13.784 189 3HG1 VAL 54 2HG1 VAL 54 -20.007 -15.806 -13.545 190 1HG2 VAL 54 2HG2 VAL 54 -16.483 -15.253 -12.687 191 2HG2 VAL 54 1HG2 VAL 54 -16.484 -16.977 -12.310 192 3HG2 VAL 54 3HG2 VAL 54 -17.162 -16.409 -13.832 193 H THR 55 H THR 55 -18.866 -17.335 -9.339 194 HA THR 55 HA THR 55 -21.702 -16.835 -9.002 195 HB THR 55 HB THR 55 -20.558 -19.053 -9.120 196 HG1 THR 55 HG1 THR 55 -21.988 -18.433 -6.759 197 1HG2 THR 55 2HG2 THR 55 -18.627 -18.181 -7.667 198 2HG2 THR 55 1HG2 THR 55 -19.660 -18.562 -6.292 199 3HG2 THR 55 3HG2 THR 55 -19.156 -19.839 -7.400 200 H SER 56 H SER 56 -18.783 -16.403 -7.024 201 HA SER 56 HA SER 56 -20.335 -15.544 -4.676 202 1HB SER 56 2HB SER 56 -17.537 -16.151 -5.435 203 2HB SER 56 1HB SER 56 -17.713 -14.898 -4.210 204 HG SER 56 HG SER 56 -19.071 -17.382 -4.097 205 H ASN 57 H ASN 57 -17.532 -13.822 -5.954 206 HA ASN 57 HA ASN 57 -18.749 -11.631 -7.193 207 1HB ASN 57 2HB ASN 57 -18.614 -10.004 -5.203 208 2HB ASN 57 1HB ASN 57 -19.955 -11.138 -5.202 209 1HD2 ASN 57 2HD2 ASN 57 -18.989 -12.075 -1.935 210 2HD2 ASN 57 1HD2 ASN 57 -20.217 -11.474 -2.941 211 H ALA 58 H ALA 58 -16.325 -13.112 -7.288 212 HA ALA 58 HA ALA 58 -14.305 -10.986 -6.634 213 1HB ALA 58 3HB ALA 58 -14.054 -14.007 -6.778 214 2HB ALA 58 2HB ALA 58 -12.729 -12.901 -6.417 215 3HB ALA 58 1HB ALA 58 -14.090 -13.040 -5.304 216 H ILE 59 H ILE 59 -12.541 -10.775 -8.186 217 HA ILE 59 HA ILE 59 -13.402 -11.033 -10.957 218 HB ILE 59 HB ILE 59 -10.734 -10.228 -9.756 219 1HG1 ILE 59 2HG1 ILE 59 -13.138 -8.508 -10.453 220 2HG1 ILE 59 1HG1 ILE 59 -12.642 -8.930 -8.812 221 1HG2 ILE 59 1HG2 ILE 59 -11.679 -10.495 -12.444 222 2HG2 ILE 59 3HG2 ILE 59 -11.454 -8.779 -12.107 223 3HG2 ILE 59 2HG2 ILE 59 -10.112 -9.904 -11.891 224 1HD1 ILE 59 2HD1 ILE 59 -10.572 -7.736 -10.597 225 2HD1 ILE 59 1HD1 ILE 59 -11.835 -6.663 -9.993 226 3HD1 ILE 59 3HD1 ILE 59 -10.807 -7.540 -8.861 227 H CYS 60 H CYS 60 -12.655 -12.526 -12.421 228 HA CYS 60 HA CYS 60 -10.974 -14.752 -11.348 229 1HB CYS 60 2HB CYS 60 -12.726 -14.816 -13.814 230 2HB CYS 60 1HB CYS 60 -12.196 -16.160 -12.814 231 H GLU 61 H GLU 61 -8.868 -14.530 -12.032 232 HA GLU 61 HA GLU 61 -8.373 -14.060 -14.924 233 1HB GLU 61 2HB GLU 61 -8.011 -12.148 -12.752 234 2HB GLU 61 1HB GLU 61 -6.500 -12.445 -13.613 235 1HG GLU 61 2HG GLU 61 -8.859 -12.134 -15.359 236 2HG GLU 61 1HG GLU 61 -8.426 -10.686 -14.448 237 H TYR 62 H TYR 62 -6.201 -14.717 -15.551 238 HA TYR 62 HA TYR 62 -4.780 -16.369 -13.490 239 1HB TYR 62 2HB TYR 62 -5.240 -16.924 -16.439 240 2HB TYR 62 1HB TYR 62 -4.372 -17.978 -15.323 241 HD1 TYR 62 HD1 TYR 62 -6.072 -17.723 -12.872 242 HD2 TYR 62 HD2 TYR 62 -7.165 -18.191 -17.023 243 HE1 TYR 62 HE1 TYR 62 -8.226 -18.771 -12.187 244 HE2 TYR 62 HE2 TYR 62 -9.319 -19.242 -16.337 245 HH TYR 62 HH TYR 62 -10.277 -19.426 -12.922 246 H LEU 63 H LEU 63 -4.496 -14.519 -16.513 247 HA LEU 63 HA LEU 63 -1.543 -14.464 -16.290 248 1HB LEU 63 2HB LEU 63 -3.661 -13.811 -18.287 249 2HB LEU 63 1HB LEU 63 -2.142 -12.924 -18.418 250 HG LEU 63 HG LEU 63 -1.813 -15.816 -17.963 251 1HD1 LEU 63 3HD1 LEU 63 -3.534 -14.784 -20.127 252 2HD1 LEU 63 2HD1 LEU 63 -2.232 -15.843 -20.671 253 3HD1 LEU 63 1HD1 LEU 63 -3.398 -16.420 -19.480 254 1HD2 LEU 63 1HD2 LEU 63 -0.249 -13.731 -18.795 255 2HD2 LEU 63 3HD2 LEU 63 0.124 -15.427 -19.106 256 3HD2 LEU 63 2HD2 LEU 63 -0.687 -14.461 -20.339 257 H GLU 64 H GLU 64 -0.438 -12.312 -16.400 258 HA GLU 64 HA GLU 64 -2.002 -9.962 -15.518 259 1HB GLU 64 2HB GLU 64 -1.486 -11.396 -13.504 260 2HB GLU 64 1HB GLU 64 0.228 -11.141 -13.833 261 1HG GLU 64 2HG GLU 64 0.188 -9.012 -13.041 262 2HG GLU 64 1HG GLU 64 -1.370 -8.666 -13.793 263 HA PRO 65 HA PRO 65 1.840 -9.280 -18.187 264 1HB PRO 65 2HB PRO 65 0.229 -7.478 -19.745 265 2HB PRO 65 1HB PRO 65 0.932 -9.019 -20.247 266 1HG PRO 65 2HG PRO 65 -1.829 -8.426 -19.750 267 2HG PRO 65 1HG PRO 65 -1.119 -9.967 -20.241 268 1HD PRO 65 2HD PRO 65 -2.220 -9.280 -17.654 269 2HD PRO 65 1HD PRO 65 -1.491 -10.825 -18.161 270 H SER 66 H SER 66 2.755 -6.985 -18.669 271 HA SER 66 HA SER 66 2.185 -5.262 -16.316 272 1HB SER 66 2HB SER 66 4.413 -5.719 -18.259 273 2HB SER 66 1HB SER 66 4.321 -4.146 -17.472 274 HG SER 66 HG SER 66 4.146 -6.588 -16.050 275 H LYS 67 H LYS 67 3.360 -4.128 -19.458 276 HA LYS 67 HA LYS 67 1.700 -1.796 -19.435 277 1HB LYS 67 2HB LYS 67 3.421 -3.234 -21.443 278 2HB LYS 67 1HB LYS 67 2.467 -1.836 -21.941 279 1HG LYS 67 2HG LYS 67 3.557 -0.411 -20.354 280 2HG LYS 67 1HG LYS 67 4.325 -1.783 -19.553 281 1HD LYS 67 2HD LYS 67 6.088 -1.572 -20.932 282 2HD LYS 67 1HD LYS 67 5.033 -1.924 -22.301 283 1HE LYS 67 2HE LYS 67 5.115 0.234 -22.992 284 2HE LYS 67 1HE LYS 67 4.667 0.817 -21.376 285 1HZ LYS 67 3HZ LYS 67 7.017 0.184 -20.719 286 2HZ LYS 67 2HZ LYS 67 7.358 0.096 -22.382 287 3HZ LYS 67 1HZ LYS 67 6.853 1.564 -21.690 288 H LYS 68 H LYS 68 -0.442 -2.833 -19.048 289 HA LYS 68 HA LYS 68 -1.956 -3.099 -21.508 290 1HB LYS 68 2HB LYS 68 -0.879 -5.291 -21.483 291 2HB LYS 68 1HB LYS 68 -1.389 -5.553 -19.815 292 1HG LYS 68 2HG LYS 68 -3.548 -6.034 -20.406 293 2HG LYS 68 1HG LYS 68 -3.546 -4.879 -21.740 294 1HD LYS 68 2HD LYS 68 -2.764 -6.412 -23.245 295 2HD LYS 68 1HD LYS 68 -1.748 -7.219 -22.051 296 1HE LYS 68 2HE LYS 68 -3.378 -8.724 -21.519 297 2HE LYS 68 1HE LYS 68 -4.646 -7.483 -21.537 298 1HZ LYS 68 3HZ LYS 68 -4.323 -7.428 -24.017 299 2HZ LYS 68 2HZ LYS 68 -3.406 -8.849 -23.859 300 3HZ LYS 68 1HZ LYS 68 -5.045 -8.837 -23.412 301 H ILE 69 H ILE 69 -3.532 -1.716 -20.674 302 HA ILE 69 HA ILE 69 -4.531 -2.108 -17.933 303 HB ILE 69 HB ILE 69 -4.160 0.017 -19.735 304 1HG1 ILE 69 2HG1 ILE 69 -3.875 0.245 -17.364 305 2HG1 ILE 69 1HG1 ILE 69 -5.135 1.378 -17.846 306 1HG2 ILE 69 1HG2 ILE 69 -6.473 -0.612 -20.637 307 2HG2 ILE 69 3HG2 ILE 69 -7.108 -0.080 -19.082 308 3HG2 ILE 69 2HG2 ILE 69 -6.257 1.060 -20.122 309 1HD1 ILE 69 2HD1 ILE 69 -6.810 -0.468 -17.231 310 2HD1 ILE 69 1HD1 ILE 69 -5.456 -1.281 -16.449 311 3HD1 ILE 69 3HD1 ILE 69 -5.970 0.310 -15.891 312 H VAL 70 H VAL 70 -6.856 -2.391 -17.533 313 HA VAL 70 HA VAL 70 -8.646 -3.256 -19.664 314 HB VAL 70 HB VAL 70 -7.188 -5.201 -19.547 315 1HG1 VAL 70 3HG1 VAL 70 -7.111 -4.491 -16.768 316 2HG1 VAL 70 2HG1 VAL 70 -7.646 -6.165 -16.911 317 3HG1 VAL 70 1HG1 VAL 70 -6.115 -5.664 -17.629 318 1HG2 VAL 70 1HG2 VAL 70 -9.924 -5.278 -19.194 319 2HG2 VAL 70 3HG2 VAL 70 -8.914 -6.677 -19.558 320 3HG2 VAL 70 2HG2 VAL 70 -9.347 -6.313 -17.887 321 H VAL 71 H VAL 71 -10.365 -2.124 -18.811 322 HA VAL 71 HA VAL 71 -11.427 -2.997 -16.206 323 HB VAL 71 HB VAL 71 -11.523 -0.524 -15.495 324 1HG1 VAL 71 1HG1 VAL 71 -9.880 -2.329 -14.696 325 2HG1 VAL 71 3HG1 VAL 71 -8.717 -1.600 -15.803 326 3HG1 VAL 71 2HG1 VAL 71 -9.380 -0.651 -14.473 327 1HG2 VAL 71 1HG2 VAL 71 -10.468 -0.194 -18.095 328 2HG2 VAL 71 3HG2 VAL 71 -10.676 1.052 -16.864 329 3HG2 VAL 71 2HG2 VAL 71 -9.148 0.183 -16.988 330 H SER 72 H SER 72 -12.648 0.072 -16.959 331 HA SER 72 HA SER 72 -14.845 -1.144 -18.593 332 1HB SER 72 2HB SER 72 -15.699 -0.773 -16.421 333 2HB SER 72 1HB SER 72 -14.789 0.724 -16.227 334 HG SER 72 HG SER 72 -17.216 0.655 -16.859 335 H THR 73 H THR 73 -15.080 -0.140 -20.557 336 HA THR 73 HA THR 73 -13.516 2.096 -21.386 337 HB THR 73 HB THR 73 -14.553 0.381 -22.850 338 HG1 THR 73 HG1 THR 73 -14.031 2.509 -23.632 339 1HG2 THR 73 2HG2 THR 73 -16.717 0.363 -21.499 340 2HG2 THR 73 1HG2 THR 73 -17.161 1.831 -22.371 341 3HG2 THR 73 3HG2 THR 73 -16.906 0.324 -23.252 342 H LYS 74 H LYS 74 -16.731 1.883 -19.927 343 HA LYS 74 HA LYS 74 -17.671 4.514 -20.437 344 1HB LYS 74 2HB LYS 74 -18.954 2.651 -19.409 345 2HB LYS 74 1HB LYS 74 -17.953 2.782 -17.965 346 1HG LYS 74 2HG LYS 74 -18.708 5.306 -18.029 347 2HG LYS 74 1HG LYS 74 -20.042 4.671 -18.992 348 1HD LYS 74 2HD LYS 74 -20.842 3.333 -17.240 349 2HD LYS 74 1HD LYS 74 -19.295 3.350 -16.394 350 1HE LYS 74 2HE LYS 74 -20.511 4.878 -15.104 351 2HE LYS 74 1HE LYS 74 -19.779 5.976 -16.292 352 1HZ LYS 74 3HZ LYS 74 -22.427 4.655 -16.581 353 2HZ LYS 74 2HZ LYS 74 -22.191 6.282 -16.154 354 3HZ LYS 74 1HZ LYS 74 -21.723 5.728 -17.690 355 H TYR 75 H TYR 75 -15.757 3.274 -17.689 356 HA TYR 75 HA TYR 75 -15.313 5.788 -16.401 357 1HB TYR 75 2HB TYR 75 -14.694 4.069 -15.014 358 2HB TYR 75 1HB TYR 75 -14.351 2.996 -16.364 359 HD1 TYR 75 HD1 TYR 75 -12.925 6.131 -14.817 360 HD2 TYR 75 HD2 TYR 75 -12.142 2.289 -16.623 361 HE1 TYR 75 HE1 TYR 75 -10.481 6.459 -14.456 362 HE2 TYR 75 HE2 TYR 75 -9.700 2.616 -16.260 363 HH TYR 75 HH TYR 75 -8.418 4.797 -14.186 364 H LEU 76 H LEU 76 -13.271 3.923 -18.669 365 HA LEU 76 HA LEU 76 -11.127 5.698 -19.014 366 1HB LEU 76 2HB LEU 76 -12.380 3.446 -20.322 367 2HB LEU 76 1HB LEU 76 -11.826 4.597 -21.534 368 HG LEU 76 HG LEU 76 -10.060 2.970 -20.973 369 1HD1 LEU 76 2HD1 LEU 76 -9.771 5.635 -21.294 370 2HD1 LEU 76 1HD1 LEU 76 -9.058 5.458 -19.693 371 3HD1 LEU 76 3HD1 LEU 76 -8.401 4.551 -21.056 372 1HD2 LEU 76 2HD2 LEU 76 -10.903 2.696 -18.578 373 2HD2 LEU 76 1HD2 LEU 76 -9.152 2.804 -18.763 374 3HD2 LEU 76 3HD2 LEU 76 -10.068 4.206 -18.211 375 H GLN 77 H GLN 77 -14.327 5.723 -20.579 376 HA GLN 77 HA GLN 77 -13.808 7.915 -22.373 377 1HB GLN 77 2HB GLN 77 -15.901 6.117 -21.651 378 2HB GLN 77 1HB GLN 77 -16.559 7.751 -21.553 379 1HG GLN 77 2HG GLN 77 -16.884 7.361 -23.803 380 2HG GLN 77 1HG GLN 77 -15.247 8.017 -23.863 381 1HE2 GLN 77 2HE2 GLN 77 -13.778 4.967 -24.887 382 2HE2 GLN 77 1HE2 GLN 77 -13.520 6.581 -24.430 383 H GLN 78 H GLN 78 -15.330 7.748 -19.135 384 HA GLN 78 HA GLN 78 -15.941 10.522 -18.871 385 1HB GLN 78 2HB GLN 78 -16.350 8.254 -17.445 386 2HB GLN 78 1HB GLN 78 -15.043 8.966 -16.497 387 1HG GLN 78 2HG GLN 78 -16.883 11.050 -17.152 388 2HG GLN 78 1HG GLN 78 -17.808 9.693 -16.509 389 1HE2 GLN 78 2HE2 GLN 78 -15.733 9.751 -13.414 390 2HE2 GLN 78 1HE2 GLN 78 -16.081 8.605 -14.616 391 H LEU 79 H LEU 79 -12.951 8.730 -18.545 392 HA LEU 79 HA LEU 79 -11.462 10.761 -17.101 393 1HB LEU 79 2HB LEU 79 -11.007 8.259 -17.315 394 2HB LEU 79 1HB LEU 79 -10.447 8.591 -18.956 395 HG LEU 79 HG LEU 79 -8.880 10.321 -17.922 396 1HD1 LEU 79 1HD1 LEU 79 -10.358 9.831 -15.653 397 2HD1 LEU 79 3HD1 LEU 79 -8.917 8.857 -15.369 398 3HD1 LEU 79 2HD1 LEU 79 -8.764 10.588 -15.670 399 1HD2 LEU 79 3HD2 LEU 79 -8.596 7.602 -18.373 400 2HD2 LEU 79 2HD2 LEU 79 -7.276 8.725 -18.041 401 3HD2 LEU 79 1HD2 LEU 79 -7.994 7.795 -16.726 402 H GLN 80 H GLN 80 -11.643 9.774 -20.522 403 HA GLN 80 HA GLN 80 -9.826 11.738 -21.535 404 1HB GLN 80 2HB GLN 80 -11.623 9.663 -22.434 405 2HB GLN 80 1HB GLN 80 -11.777 11.076 -23.475 406 1HG GLN 80 2HG GLN 80 -9.746 10.722 -24.398 407 2HG GLN 80 1HG GLN 80 -8.993 10.520 -22.816 408 1HE2 GLN 80 2HE2 GLN 80 -10.054 6.926 -22.837 409 2HE2 GLN 80 1HE2 GLN 80 -10.401 8.263 -21.849 410 H LYS 81 H LYS 81 -13.408 11.699 -21.348 411 HA LYS 81 HA LYS 81 -13.829 14.294 -22.471 412 1HB LYS 81 2HB LYS 81 -15.360 12.628 -20.443 413 2HB LYS 81 1HB LYS 81 -16.016 14.073 -21.215 414 1HG LYS 81 2HG LYS 81 -15.829 13.063 -23.409 415 2HG LYS 81 1HG LYS 81 -14.977 11.669 -22.741 416 1HD LYS 81 2HD LYS 81 -17.269 11.003 -23.055 417 2HD LYS 81 1HD LYS 81 -17.029 11.223 -21.320 418 1HE LYS 81 2HE LYS 81 -18.043 13.455 -21.427 419 2HE LYS 81 1HE LYS 81 -18.226 13.305 -23.186 420 1HZ LYS 81 1HZ LYS 81 -19.492 11.234 -22.778 421 2HZ LYS 81 3HZ LYS 81 -19.444 11.558 -21.114 422 3HZ LYS 81 2HZ LYS 81 -20.264 12.616 -22.161 423 H ASP 82 H ASP 82 -13.254 13.208 -19.128 424 HA ASP 82 HA ASP 82 -13.645 15.667 -17.773 425 1HB ASP 82 2HB ASP 82 -13.258 13.415 -16.762 426 2HB ASP 82 1HB ASP 82 -11.576 13.494 -17.288 427 H LEU 83 H LEU 83 -10.845 14.402 -19.557 428 HA LEU 83 HA LEU 83 -9.054 16.578 -18.911 429 1HB LEU 83 2HB LEU 83 -8.538 14.227 -19.777 430 2HB LEU 83 1HB LEU 83 -9.060 14.797 -21.363 431 HG LEU 83 HG LEU 83 -7.002 16.342 -19.801 432 1HD1 LEU 83 2HD1 LEU 83 -6.663 13.661 -20.562 433 2HD1 LEU 83 1HD1 LEU 83 -5.867 14.596 -21.828 434 3HD1 LEU 83 3HD1 LEU 83 -5.387 14.805 -20.144 435 1HD2 LEU 83 1HD2 LEU 83 -8.112 16.242 -22.548 436 2HD2 LEU 83 3HD2 LEU 83 -7.449 17.608 -21.651 437 3HD2 LEU 83 2HD2 LEU 83 -6.365 16.468 -22.449 438 H ASN 84 H ASN 84 -11.352 15.935 -21.550 439 HA ASN 84 HA ASN 84 -10.650 18.238 -23.149 440 1HB ASN 84 2HB ASN 84 -12.285 15.982 -23.274 441 2HB ASN 84 1HB ASN 84 -13.422 17.328 -23.287 442 1HD2 ASN 84 2HD2 ASN 84 -12.790 17.887 -26.698 443 2HD2 ASN 84 1HD2 ASN 84 -13.915 17.823 -25.429 444 H ASP 85 H ASP 85 -12.757 17.672 -20.393 445 HA ASP 85 HA ASP 85 -14.186 20.211 -20.592 446 1HB ASP 85 2HB ASP 85 -14.710 17.915 -19.369 447 2HB ASP 85 1HB ASP 85 -13.795 18.646 -18.050 448 H LYS 86 H LYS 86 -11.102 19.164 -19.437 449 HA LYS 86 HA LYS 86 -10.668 21.439 -17.625 450 1HB LYS 86 2HB LYS 86 -9.536 18.899 -18.185 451 2HB LYS 86 1HB LYS 86 -8.296 20.083 -18.590 452 1HG LYS 86 2HG LYS 86 -8.148 19.403 -16.212 453 2HG LYS 86 1HG LYS 86 -8.542 21.115 -16.367 454 1HD LYS 86 2HD LYS 86 -10.677 20.840 -15.572 455 2HD LYS 86 1HD LYS 86 -10.837 19.225 -16.263 456 1HE LYS 86 2HE LYS 86 -10.561 18.517 -14.103 457 2HE LYS 86 1HE LYS 86 -8.842 18.852 -14.388 458 1HZ LYS 86 1HZ LYS 86 -9.325 21.202 -13.770 459 2HZ LYS 86 3HZ LYS 86 -10.873 20.713 -13.279 460 3HZ LYS 86 2HZ LYS 86 -9.500 20.103 -12.487 461 H THR 87 H THR 87 -10.109 20.475 -20.934 462 HA THR 87 HA THR 87 -8.372 22.690 -21.671 463 HB THR 87 HB THR 87 -10.002 20.536 -23.052 464 HG1 THR 87 HG1 THR 87 -8.158 19.691 -22.408 465 1HG2 THR 87 3HG2 THR 87 -8.926 23.011 -24.213 466 2HG2 THR 87 2HG2 THR 87 -8.368 21.545 -25.019 467 3HG2 THR 87 1HG2 THR 87 -10.095 21.870 -24.875 468 H GLU 88 H GLU 88 -11.837 21.882 -22.003 469 HA GLU 88 HA GLU 88 -12.641 24.301 -23.327 470 1HB GLU 88 2HB GLU 88 -13.928 22.142 -21.669 471 2HB GLU 88 1HB GLU 88 -14.873 23.561 -22.118 472 1HG GLU 88 2HG GLU 88 -13.987 23.093 -24.528 473 2HG GLU 88 1HG GLU 88 -13.636 21.479 -23.906 474 H GLU 89 H GLU 89 -12.164 23.381 -19.955 475 HA GLU 89 HA GLU 89 -13.272 25.815 -18.808 476 1HB GLU 89 2HB GLU 89 -11.824 23.371 -17.989 477 2HB GLU 89 1HB GLU 89 -11.493 24.782 -16.985 478 1HG GLU 89 2HG GLU 89 -14.297 23.897 -17.704 479 2HG GLU 89 1HG GLU 89 -13.471 23.371 -16.236 480 H ASN 90 H ASN 90 -9.954 24.608 -19.397 481 HA ASN 90 HA ASN 90 -8.484 26.883 -18.591 482 1HB ASN 90 2HB ASN 90 -8.182 24.498 -20.270 483 2HB ASN 90 1HB ASN 90 -7.204 25.844 -20.848 484 1HD2 ASN 90 2HD2 ASN 90 -5.731 23.787 -17.847 485 2HD2 ASN 90 1HD2 ASN 90 -6.775 23.206 -19.054 486 H ASN 91 H ASN 91 -10.454 26.286 -21.412 487 HA ASN 91 HA ASN 91 -9.484 28.527 -23.003 488 1HB ASN 91 2HB ASN 91 -11.481 26.360 -23.076 489 2HB ASN 91 1HB ASN 91 -12.014 27.828 -23.890 490 1HD2 ASN 91 2HD2 ASN 91 -8.895 25.672 -25.436 491 2HD2 ASN 91 1HD2 ASN 91 -9.459 25.343 -23.870 492 H ARG 92 H ARG 92 -12.219 27.917 -20.808 493 HA ARG 92 HA ARG 92 -13.374 30.585 -21.165 494 1HB ARG 92 2HB ARG 92 -14.319 28.194 -20.395 495 2HB ARG 92 1HB ARG 92 -13.928 28.847 -18.804 496 1HG ARG 92 2HG ARG 92 -15.726 30.199 -18.851 497 2HG ARG 92 1HG ARG 92 -15.242 30.858 -20.414 498 1HD ARG 92 2HD ARG 92 -17.170 29.830 -21.136 499 2HD ARG 92 1HD ARG 92 -16.149 28.379 -21.156 500 HE ARG 92 HE ARG 92 -17.053 27.755 -18.993 501 1HH1 ARG 92 1HH2 ARG 92 -17.878 29.232 -17.099 502 2HH1 ARG 92 2HH2 ARG 92 -19.430 29.919 -17.446 503 1HH2 ARG 92 2HH1 ARG 92 -19.254 29.258 -20.847 504 2HH2 ARG 92 1HH1 ARG 92 -20.209 29.934 -19.569 505 H LEU 93 H LEU 93 -11.875 28.903 -18.376 506 HA LEU 93 HA LEU 93 -11.618 31.048 -16.600 507 1HB LEU 93 2HB LEU 93 -11.078 28.656 -16.181 508 2HB LEU 93 1HB LEU 93 -9.640 28.818 -17.189 509 HG LEU 93 HG LEU 93 -10.052 30.708 -14.894 510 1HD1 LEU 93 3HD1 LEU 93 -9.057 27.852 -14.755 511 2HD1 LEU 93 2HD1 LEU 93 -8.672 29.060 -13.528 512 3HD1 LEU 93 1HD1 LEU 93 -10.350 28.590 -13.808 513 1HD2 LEU 93 2HD2 LEU 93 -8.050 30.168 -16.852 514 2HD2 LEU 93 1HD2 LEU 93 -7.994 31.351 -15.545 515 3HD2 LEU 93 3HD2 LEU 93 -7.387 29.716 -15.281 516 H LYS 94 H LYS 94 -9.828 30.381 -19.535 517 HA LYS 94 HA LYS 94 -7.649 32.247 -19.029 518 1HB LYS 94 2HB LYS 94 -7.384 30.385 -20.562 519 2HB LYS 94 1HB LYS 94 -8.795 30.887 -21.491 520 1HG LYS 94 2HG LYS 94 -7.563 33.053 -21.984 521 2HG LYS 94 1HG LYS 94 -6.129 32.306 -21.276 522 1HD LYS 94 2HD LYS 94 -6.692 30.337 -22.930 523 2HD LYS 94 1HD LYS 94 -7.587 31.584 -23.799 524 1HE LYS 94 2HE LYS 94 -5.357 31.576 -24.724 525 2HE LYS 94 1HE LYS 94 -5.449 33.003 -23.672 526 1HZ LYS 94 3HZ LYS 94 -4.622 30.376 -22.606 527 2HZ LYS 94 2HZ LYS 94 -3.489 31.406 -23.342 528 3HZ LYS 94 1HZ LYS 94 -4.337 31.919 -21.961 529 H ALA 95 H ALA 95 -10.783 32.335 -20.715 530 HA ALA 95 HA ALA 95 -10.381 35.204 -21.394 531 1HB ALA 95 1HB ALA 95 -12.064 32.923 -22.247 532 2HB ALA 95 3HB ALA 95 -12.876 34.489 -22.265 533 3HB ALA 95 2HB ALA 95 -11.403 34.249 -23.204 534 H LEU 96 H LEU 96 -11.248 33.662 -18.653 535 HA LEU 96 HA LEU 96 -13.561 35.447 -18.027 536 1HB LEU 96 2HB LEU 96 -13.161 32.758 -17.692 537 2HB LEU 96 1HB LEU 96 -12.655 33.373 -16.118 538 HG LEU 96 HG LEU 96 -14.953 34.817 -16.595 539 1HD1 LEU 96 3HD1 LEU 96 -15.094 32.940 -18.540 540 2HD1 LEU 96 2HD1 LEU 96 -15.843 32.051 -17.214 541 3HD1 LEU 96 1HD1 LEU 96 -16.520 33.593 -17.734 542 1HD2 LEU 96 1HD2 LEU 96 -13.981 33.131 -14.678 543 2HD2 LEU 96 3HD2 LEU 96 -15.604 33.821 -14.645 544 3HD2 LEU 96 2HD2 LEU 96 -15.350 32.195 -15.279 545 H LEU 97 H LEU 97 -10.212 34.797 -17.291 546 HA LEU 97 HA LEU 97 -10.302 36.775 -15.042 547 1HB LEU 97 2HB LEU 97 -8.432 34.497 -15.754 548 2HB LEU 97 1HB LEU 97 -8.136 35.621 -14.429 549 HG LEU 97 HG LEU 97 -10.696 34.030 -14.678 550 1HD1 LEU 97 1HD1 LEU 97 -8.210 32.911 -14.264 551 2HD1 LEU 97 3HD1 LEU 97 -8.760 33.223 -12.616 552 3HD1 LEU 97 2HD1 LEU 97 -9.734 32.225 -13.697 553 1HD2 LEU 97 3HD2 LEU 97 -9.758 36.141 -12.977 554 2HD2 LEU 97 2HD2 LEU 97 -11.305 35.296 -12.917 555 3HD2 LEU 97 1HD2 LEU 97 -9.927 34.677 -12.008 556 H LEU 98 H LEU 98 -9.011 36.097 -18.213 557 HA LEU 98 HA LEU 98 -6.696 37.715 -18.251 558 1HB LEU 98 2HB LEU 98 -7.337 36.180 -20.029 559 2HB LEU 98 1HB LEU 98 -8.812 37.097 -20.337 560 HG LEU 98 HG LEU 98 -6.539 38.853 -20.426 561 1HD1 LEU 98 1HD1 LEU 98 -6.363 36.283 -21.987 562 2HD1 LEU 98 3HD1 LEU 98 -5.671 37.772 -22.634 563 3HD1 LEU 98 2HD1 LEU 98 -5.093 37.124 -21.099 564 1HD2 LEU 98 2HD2 LEU 98 -8.752 37.955 -22.250 565 2HD2 LEU 98 1HD2 LEU 98 -8.457 39.553 -21.565 566 3HD2 LEU 98 3HD2 LEU 98 -7.455 38.963 -22.891 567 H GLU 99 H GLU 99 -10.112 38.555 -18.546 568 HA GLU 99 HA GLU 99 -9.472 41.406 -19.037 569 1HB GLU 99 2HB GLU 99 -11.284 39.999 -20.194 570 2HB GLU 99 1HB GLU 99 -12.171 40.090 -18.672 571 1HG GLU 99 2HG GLU 99 -12.970 41.901 -20.022 572 2HG GLU 99 1HG GLU 99 -11.908 42.618 -18.810 573 H ARG 100 HN ARG 100 -10.524 39.272 -16.464 574 HA ARG 100 HA ARG 100 -11.279 41.548 -14.713 575 1HB ARG 100 2HB ARG 100 -11.804 38.693 -14.964 576 2HB ARG 100 1HB ARG 100 -11.371 39.123 -13.308 577 1HG ARG 100 2HG ARG 100 -13.273 40.332 -12.987 578 2HG ARG 100 1HG ARG 100 -13.241 40.996 -14.622 579 1HD ARG 100 2HD ARG 100 -14.617 39.366 -15.426 580 2HD ARG 100 1HD ARG 100 -13.778 38.092 -14.518 581 HE ARG 100 HE ARG 100 -14.986 39.274 -12.472 582 1HH1 ARG 100 1HH2 ARG 100 -17.072 40.676 -12.767 583 2HH1 ARG 100 2HH2 ARG 100 -18.337 39.801 -13.563 584 1HH2 ARG 100 1HH1 ARG 100 -16.230 37.320 -14.760 585 2HH2 ARG 100 2HH1 ARG 100 -17.861 37.902 -14.691 586 1H MET 30 3H MET 30 -29.087 1.264 -41.330 587 2H MET 30 2H MET 30 -30.368 1.531 -42.414 588 3H MET 30 1H MET 30 -30.553 1.901 -40.766 589 HA MET 30 HA MET 30 -31.697 -0.135 -41.097 590 1HB MET 30 2HB MET 30 -29.603 -0.320 -43.071 591 2HB MET 30 1HB MET 30 -29.641 -1.805 -42.121 592 1HG MET 30 2HG MET 30 -32.172 -1.808 -42.483 593 2HG MET 30 1HG MET 30 -31.901 -0.550 -43.689 594 1HE MET 30 3HE MET 30 -33.218 -2.271 -45.229 595 2HE MET 30 2HE MET 30 -32.644 -3.886 -45.639 596 3HE MET 30 1HE MET 30 -33.194 -3.544 -44.001 597 H SER 31 H SER 31 -30.541 0.842 -38.836 598 HA SER 31 HA SER 31 -29.567 0.202 -36.779 599 1HB SER 31 2HB SER 31 -30.985 -1.971 -37.990 600 2HB SER 31 1HB SER 31 -29.569 -2.630 -37.175 601 HG SER 31 HG SER 31 -31.824 -1.418 -36.150 602 H VAL 32 H VAL 32 -27.724 -1.335 -35.880 603 HA VAL 32 HA VAL 32 -25.464 -1.209 -37.836 604 HB VAL 32 HB VAL 32 -25.573 -1.287 -34.801 605 1HG1 VAL 32 1HG1 VAL 32 -23.239 -0.856 -36.694 606 2HG1 VAL 32 3HG1 VAL 32 -23.167 -0.740 -34.936 607 3HG1 VAL 32 2HG1 VAL 32 -23.506 -2.291 -35.705 608 1HG2 VAL 32 2HG2 VAL 32 -25.518 0.878 -36.848 609 2HG2 VAL 32 1HG2 VAL 32 -26.236 0.873 -35.237 610 3HG2 VAL 32 3HG2 VAL 32 -24.498 1.105 -35.427 611 H ALA 33 H ALA 33 -24.878 -3.174 -38.667 612 HA ALA 33 HA ALA 33 -25.753 -5.678 -37.412 613 1HB ALA 33 2HB ALA 33 -25.190 -4.756 -39.962 614 2HB ALA 33 1HB ALA 33 -23.802 -5.784 -39.606 615 3HB ALA 33 3HB ALA 33 -25.434 -6.448 -39.529 616 H CYS 34 H CYS 34 -24.119 -7.439 -36.996 617 HA CYS 34 HA CYS 34 -22.074 -6.607 -35.170 618 1HB CYS 34 2HB CYS 34 -22.445 -9.204 -36.696 619 2HB CYS 34 1HB CYS 34 -21.509 -9.006 -35.216 620 H LEU 35 H LEU 35 -19.726 -7.688 -35.634 621 HA LEU 35 HA LEU 35 -18.531 -6.128 -37.742 622 1HB LEU 35 2HB LEU 35 -17.765 -8.027 -35.618 623 2HB LEU 35 1HB LEU 35 -16.671 -8.003 -37.000 624 HG LEU 35 HG LEU 35 -17.596 -5.432 -35.732 625 1HD1 LEU 35 3HD1 LEU 35 -15.628 -7.422 -34.701 626 2HD1 LEU 35 2HD1 LEU 35 -15.164 -5.722 -34.633 627 3HD1 LEU 35 1HD1 LEU 35 -16.629 -6.271 -33.817 628 1HD2 LEU 35 3HD2 LEU 35 -15.381 -6.360 -37.542 629 2HD2 LEU 35 2HD2 LEU 35 -16.471 -4.987 -37.735 630 3HD2 LEU 35 1HD2 LEU 35 -15.154 -4.911 -36.565 631 H SER 36 H SER 36 -19.288 -9.563 -37.366 632 HA SER 36 HA SER 36 -18.194 -10.411 -39.900 633 1HB SER 36 2HB SER 36 -19.143 -11.596 -37.634 634 2HB SER 36 1HB SER 36 -20.510 -11.844 -38.716 635 HG SER 36 HG SER 36 -17.834 -12.704 -38.966 636 H CYS 37 H CYS 37 -21.488 -9.550 -38.813 637 HA CYS 37 HA CYS 37 -22.797 -9.966 -41.329 638 1HB CYS 37 2HB CYS 37 -23.424 -8.026 -39.075 639 2HB CYS 37 1HB CYS 37 -24.568 -8.630 -40.273 640 H ARG 38 H ARG 38 -20.912 -7.306 -40.002 641 HA ARG 38 HA ARG 38 -21.714 -5.333 -41.988 642 1HB ARG 38 2HB ARG 38 -20.785 -4.959 -39.651 643 2HB ARG 38 1HB ARG 38 -19.214 -5.462 -40.276 644 1HG ARG 38 2HG ARG 38 -19.341 -3.036 -40.364 645 2HG ARG 38 1HG ARG 38 -19.389 -3.664 -42.011 646 1HD ARG 38 2HD ARG 38 -21.712 -3.254 -42.229 647 2HD ARG 38 1HD ARG 38 -21.932 -3.100 -40.474 648 HE ARG 38 HE ARG 38 -20.011 -1.166 -41.369 649 1HH1 ARG 38 1HH2 ARG 38 -22.698 -1.049 -39.688 650 2HH1 ARG 38 2HH2 ARG 38 -23.508 0.208 -40.562 651 1HH2 ARG 38 2HH1 ARG 38 -21.339 0.088 -43.266 652 2HH2 ARG 38 1HH1 ARG 38 -22.739 0.852 -42.588 653 H LYS 39 H LYS 39 -18.974 -7.573 -41.598 654 HA LYS 39 HA LYS 39 -17.361 -6.713 -43.763 655 1HB LYS 39 2HB LYS 39 -16.627 -8.299 -42.081 656 2HB LYS 39 1HB LYS 39 -17.899 -9.433 -42.534 657 1HG LYS 39 2HG LYS 39 -16.346 -8.726 -44.863 658 2HG LYS 39 1HG LYS 39 -15.277 -9.300 -43.581 659 1HD LYS 39 2HD LYS 39 -17.431 -11.058 -43.467 660 2HD LYS 39 1HD LYS 39 -17.198 -10.797 -45.196 661 1HE LYS 39 2HE LYS 39 -14.685 -11.179 -43.684 662 2HE LYS 39 1HE LYS 39 -15.746 -12.601 -43.731 663 1HZ LYS 39 3HZ LYS 39 -16.003 -12.197 -46.149 664 2HZ LYS 39 2HZ LYS 39 -14.813 -10.989 -46.046 665 3HZ LYS 39 1HZ LYS 39 -14.419 -12.606 -45.704 666 H ARG 40 H ARG 40 -20.172 -8.890 -43.697 667 HA ARG 40 HA ARG 40 -20.055 -9.071 -46.686 668 1HB ARG 40 2HB ARG 40 -21.485 -10.753 -44.605 669 2HB ARG 40 1HB ARG 40 -21.412 -11.101 -46.334 670 1HG ARG 40 2HG ARG 40 -18.891 -11.114 -46.108 671 2HG ARG 40 1HG ARG 40 -19.129 -11.042 -44.364 672 1HD ARG 40 2HD ARG 40 -18.915 -13.373 -44.834 673 2HD ARG 40 1HD ARG 40 -20.665 -13.117 -44.692 674 HE ARG 40 HE ARG 40 -20.200 -12.608 -47.353 675 1HH1 ARG 40 1HH2 ARG 40 -20.330 -15.262 -45.249 676 2HH1 ARG 40 2HH2 ARG 40 -19.909 -16.439 -46.447 677 1HH2 ARG 40 2HH1 ARG 40 -19.235 -14.085 -48.904 678 2HH2 ARG 40 1HH1 ARG 40 -19.290 -15.773 -48.516 679 H HIS 41 H HIS 41 -21.443 -7.134 -44.478 680 HA HIS 41 HA HIS 41 -23.412 -5.838 -44.424 681 1HB HIS 41 2HB HIS 41 -22.731 -6.516 -47.213 682 2HB HIS 41 1HB HIS 41 -24.406 -6.025 -46.979 683 HD1 HIS 41 HD1 HIS 41 -21.454 -4.700 -45.008 684 HD2 HIS 41 HD2 HIS 41 -24.186 -3.375 -47.865 685 HE1 HIS 41 HE1 HIS 41 -21.108 -2.200 -45.225 686 H ILE 42 H ILE 42 -24.051 -8.020 -43.159 687 HA ILE 42 HA ILE 42 -26.264 -9.437 -44.560 688 HB ILE 42 HB ILE 42 -24.917 -9.888 -41.876 689 1HG1 ILE 42 2HG1 ILE 42 -24.494 -11.268 -44.546 690 2HG1 ILE 42 1HG1 ILE 42 -23.381 -10.109 -43.821 691 1HG2 ILE 42 3HG2 ILE 42 -27.191 -10.859 -42.072 692 2HG2 ILE 42 2HG2 ILE 42 -26.698 -11.686 -43.550 693 3HG2 ILE 42 1HG2 ILE 42 -25.953 -12.112 -42.009 694 1HD1 ILE 42 1HD1 ILE 42 -23.552 -11.746 -41.742 695 2HD1 ILE 42 3HD1 ILE 42 -24.007 -12.914 -42.982 696 3HD1 ILE 42 2HD1 ILE 42 -22.448 -12.095 -43.071 697 H LYS 43 H LYS 43 -28.364 -9.532 -43.578 698 HA LYS 43 HA LYS 43 -29.177 -7.086 -42.197 699 1HB LYS 43 2HB LYS 43 -30.318 -9.279 -43.709 700 2HB LYS 43 1HB LYS 43 -31.268 -8.980 -42.253 701 1HG LYS 43 2HG LYS 43 -31.871 -6.853 -42.913 702 2HG LYS 43 1HG LYS 43 -30.394 -6.610 -43.846 703 1HD LYS 43 2HD LYS 43 -31.797 -6.947 -45.622 704 2HD LYS 43 1HD LYS 43 -31.499 -8.645 -45.251 705 1HE LYS 43 2HE LYS 43 -33.620 -8.969 -44.445 706 2HE LYS 43 1HE LYS 43 -33.676 -7.366 -43.685 707 1HZ LYS 43 2HZ LYS 43 -33.723 -7.799 -46.622 708 2HZ LYS 43 1HZ LYS 43 -35.125 -7.592 -45.685 709 3HZ LYS 43 3HZ LYS 43 -33.987 -6.340 -45.793 710 H CYS 44 H CYS 44 -27.970 -7.374 -40.155 711 HA CYS 44 HA CYS 44 -28.254 -9.647 -38.444 712 1HB CYS 44 2HB CYS 44 -26.508 -7.916 -38.270 713 2HB CYS 44 1HB CYS 44 -27.730 -6.716 -37.849 714 HA PRO 45 HA PRO 45 -32.491 -9.071 -37.130 715 1HB PRO 45 2HB PRO 45 -31.971 -10.323 -34.593 716 2HB PRO 45 1HB PRO 45 -32.753 -11.026 -36.011 717 1HG PRO 45 2HG PRO 45 -30.149 -11.619 -34.970 718 2HG PRO 45 1HG PRO 45 -30.927 -12.303 -36.400 719 1HD PRO 45 2HD PRO 45 -28.727 -10.436 -36.300 720 2HD PRO 45 1HD PRO 45 -29.499 -11.140 -37.740 721 H GLY 46 H GLY 46 -29.962 -8.600 -34.634 722 1HA GLY 46 2HA GLY 46 -29.697 -6.221 -33.824 723 2HA GLY 46 1HA GLY 46 -31.458 -6.169 -33.735 724 H GLY 47 H GLY 47 -28.573 -7.609 -32.297 725 1HA GLY 47 2HA GLY 47 -29.819 -7.645 -29.678 726 2HA GLY 47 1HA GLY 47 -29.655 -9.270 -30.345 727 H ASN 48 H ASN 48 -28.240 -8.968 -28.131 728 HA ASN 48 HA ASN 48 -25.433 -8.842 -29.106 729 1HB ASN 48 2HB ASN 48 -26.814 -6.960 -27.319 730 2HB ASN 48 1HB ASN 48 -25.288 -7.565 -26.671 731 1HD2 ASN 48 2HD2 ASN 48 -23.504 -6.350 -29.696 732 2HD2 ASN 48 1HD2 ASN 48 -23.700 -7.846 -28.914 733 HA PRO 49 HA PRO 49 -24.322 -10.431 -29.517 734 1HB PRO 49 2HB PRO 49 -24.905 -13.218 -29.884 735 2HB PRO 49 1HB PRO 49 -23.338 -12.480 -29.565 736 1HG PRO 49 2HG PRO 49 -24.866 -14.107 -27.801 737 2HG PRO 49 1HG PRO 49 -23.356 -13.264 -27.445 738 1HD PRO 49 2HD PRO 49 -26.050 -12.620 -26.535 739 2HD PRO 49 1HD PRO 49 -24.505 -11.882 -26.043 740 H CYS 50 H CYS 50 -25.223 -11.251 -31.748 741 HA CYS 50 HA CYS 50 -28.110 -10.645 -31.832 742 1HB CYS 50 2HB CYS 50 -27.676 -10.510 -34.248 743 2HB CYS 50 1HB CYS 50 -26.429 -9.627 -33.371 744 H GLN 51 H GLN 51 -28.083 -12.461 -34.410 745 HA GLN 51 HA GLN 51 -28.309 -15.094 -33.012 746 1HB GLN 51 2HB GLN 51 -30.488 -13.830 -33.122 747 2HB GLN 51 1HB GLN 51 -30.374 -13.895 -34.881 748 1HG GLN 51 2HG GLN 51 -31.560 -15.831 -34.608 749 2HG GLN 51 1HG GLN 51 -29.962 -16.509 -34.290 750 1HE2 GLN 51 2HE2 GLN 51 -30.502 -16.743 -30.739 751 2HE2 GLN 51 1HE2 GLN 51 -29.288 -16.540 -31.910 752 H LYS 52 H LYS 52 -28.195 -13.354 -36.122 753 HA LYS 52 HA LYS 52 -27.953 -15.620 -37.832 754 1HB LYS 52 2HB LYS 52 -26.935 -12.772 -37.990 755 2HB LYS 52 1HB LYS 52 -26.900 -13.892 -39.355 756 1HG LYS 52 2HG LYS 52 -29.406 -13.143 -37.821 757 2HG LYS 52 1HG LYS 52 -28.923 -12.419 -39.356 758 1HD LYS 52 2HD LYS 52 -28.770 -14.929 -40.151 759 2HD LYS 52 1HD LYS 52 -29.862 -15.213 -38.795 760 1HE LYS 52 2HE LYS 52 -31.483 -13.630 -39.693 761 2HE LYS 52 1HE LYS 52 -30.364 -13.173 -40.993 762 1HZ LYS 52 3HZ LYS 52 -31.281 -15.955 -40.510 763 2HZ LYS 52 2HZ LYS 52 -32.006 -14.913 -41.639 764 3HZ LYS 52 1HZ LYS 52 -30.386 -15.386 -41.833 765 H CYS 53 H CYS 53 -25.594 -14.033 -35.780 766 HA CYS 53 HA CYS 53 -23.349 -15.521 -37.037 767 1HB CYS 53 2HB CYS 53 -23.761 -13.321 -35.064 768 2HB CYS 53 1HB CYS 53 -22.203 -14.128 -35.136 769 H VAL 54 H VAL 54 -25.109 -15.226 -33.957 770 HA VAL 54 HA VAL 54 -23.505 -17.059 -32.463 771 HB VAL 54 HB VAL 54 -26.495 -16.656 -32.141 772 1HG1 VAL 54 2HG1 VAL 54 -24.610 -18.072 -30.678 773 2HG1 VAL 54 1HG1 VAL 54 -24.744 -16.549 -29.795 774 3HG1 VAL 54 3HG1 VAL 54 -26.180 -17.535 -30.081 775 1HG2 VAL 54 1HG2 VAL 54 -24.239 -14.753 -31.479 776 2HG2 VAL 54 3HG2 VAL 54 -25.719 -14.408 -32.375 777 3HG2 VAL 54 2HG2 VAL 54 -25.789 -14.702 -30.641 778 H THR 55 H THR 55 -26.147 -17.402 -34.716 779 HA THR 55 HA THR 55 -26.636 -20.219 -34.248 780 HB THR 55 HB THR 55 -28.241 -18.535 -35.160 781 HG1 THR 55 HG1 THR 55 -29.149 -20.198 -36.026 782 1HG2 THR 55 2HG2 THR 55 -26.404 -17.462 -36.584 783 2HG2 THR 55 1HG2 THR 55 -26.718 -18.745 -37.749 784 3HG2 THR 55 3HG2 THR 55 -27.998 -17.608 -37.319 785 H SER 56 H SER 56 -24.720 -18.327 -36.574 786 HA SER 56 HA SER 56 -23.878 -20.743 -38.031 787 1HB SER 56 2HB SER 56 -23.319 -17.777 -38.160 788 2HB SER 56 1HB SER 56 -22.416 -18.917 -39.154 789 HG SER 56 HG SER 56 -25.250 -18.770 -39.040 790 H ASN 57 H ASN 57 -21.695 -18.174 -36.981 791 HA ASN 57 HA ASN 57 -20.423 -19.406 -34.813 792 1HB ASN 57 2HB ASN 57 -18.399 -20.331 -36.086 793 2HB ASN 57 1HB ASN 57 -19.878 -21.271 -36.198 794 1HD2 ASN 57 2HD2 ASN 57 -19.445 -21.187 -39.710 795 2HD2 ASN 57 1HD2 ASN 57 -19.535 -22.152 -38.317 796 H ALA 58 H ALA 58 -21.002 -16.806 -35.786 797 HA ALA 58 HA ALA 58 -18.251 -15.666 -36.173 798 1HB ALA 58 1HB ALA 58 -20.806 -15.320 -37.503 799 2HB ALA 58 3HB ALA 58 -20.211 -13.776 -36.891 800 3HB ALA 58 2HB ALA 58 -19.216 -14.732 -37.989 801 H ILE 59 H ILE 59 -17.769 -13.719 -34.983 802 HA ILE 59 HA ILE 59 -18.972 -13.581 -32.343 803 HB ILE 59 HB ILE 59 -17.013 -11.747 -33.757 804 1HG1 ILE 59 2HG1 ILE 59 -16.293 -14.121 -33.776 805 2HG1 ILE 59 1HG1 ILE 59 -15.267 -13.142 -32.724 806 1HG2 ILE 59 2HG2 ILE 59 -18.242 -11.663 -31.177 807 2HG2 ILE 59 1HG2 ILE 59 -16.533 -12.043 -30.961 808 3HG2 ILE 59 3HG2 ILE 59 -17.009 -10.586 -31.832 809 1HD1 ILE 59 3HD1 ILE 59 -17.492 -14.091 -31.188 810 2HD1 ILE 59 2HD1 ILE 59 -16.774 -15.462 -32.034 811 3HD1 ILE 59 1HD1 ILE 59 -15.780 -14.460 -30.977 812 H CYS 60 H CYS 60 -20.383 -12.037 -31.614 813 HA CYS 60 HA CYS 60 -21.561 -10.197 -33.658 814 1HB CYS 60 2HB CYS 60 -22.869 -11.055 -31.074 815 2HB CYS 60 1HB CYS 60 -23.630 -10.537 -32.570 816 H GLU 61 H GLU 61 -20.638 -8.180 -33.334 817 HA GLU 61 HA GLU 61 -20.835 -7.015 -30.600 818 1HB GLU 61 2HB GLU 61 -18.361 -7.406 -32.285 819 2HB GLU 61 1HB GLU 61 -18.434 -6.148 -31.052 820 1HG GLU 61 2HG GLU 61 -19.385 -8.254 -29.631 821 2HG GLU 61 1HG GLU 61 -18.300 -9.094 -30.740 822 H TYR 62 H TYR 62 -20.804 -4.664 -30.643 823 HA TYR 62 HA TYR 62 -21.240 -3.491 -33.372 824 1HB TYR 62 2HB TYR 62 -22.605 -2.914 -30.722 825 2HB TYR 62 1HB TYR 62 -22.924 -2.050 -32.225 826 HD1 TYR 62 HD1 TYR 62 -22.818 -4.262 -34.217 827 HD2 TYR 62 HD2 TYR 62 -24.607 -4.110 -30.291 828 HE1 TYR 62 HE1 TYR 62 -24.445 -6.028 -34.889 829 HE2 TYR 62 HE2 TYR 62 -26.233 -5.875 -30.964 830 HH TYR 62 HH TYR 62 -26.282 -7.766 -32.712 831 H LEU 63 H LEU 63 -20.869 -2.231 -30.045 832 HA LEU 63 HA LEU 63 -18.284 -1.006 -30.600 833 1HB LEU 63 2HB LEU 63 -20.350 0.256 -31.781 834 2HB LEU 63 1HB LEU 63 -20.441 1.012 -30.190 835 HG LEU 63 HG LEU 63 -17.766 1.148 -30.623 836 1HD1 LEU 63 3HD1 LEU 63 -19.034 0.655 -33.211 837 2HD1 LEU 63 2HD1 LEU 63 -18.123 2.164 -33.188 838 3HD1 LEU 63 1HD1 LEU 63 -17.323 0.645 -32.783 839 1HD2 LEU 63 2HD2 LEU 63 -19.995 3.038 -31.396 840 2HD2 LEU 63 1HD2 LEU 63 -18.986 3.075 -29.951 841 3HD2 LEU 63 3HD2 LEU 63 -18.298 3.507 -31.516 842 H GLU 64 H GLU 64 -19.652 -2.608 -28.488 843 HA GLU 64 HA GLU 64 -18.666 -1.157 -26.169 844 1HB GLU 64 2HB GLU 64 -20.959 -0.147 -26.887 845 2HB GLU 64 1HB GLU 64 -21.645 -1.636 -26.234 846 1HG GLU 64 2HG GLU 64 -20.508 -1.194 -24.073 847 2HG GLU 64 1HG GLU 64 -19.888 0.323 -24.727 848 HA PRO 65 HA PRO 65 -18.871 -5.797 -25.868 849 1HB PRO 65 2HB PRO 65 -16.418 -5.633 -24.376 850 2HB PRO 65 1HB PRO 65 -16.663 -6.288 -25.998 851 1HG PRO 65 2HG PRO 65 -15.310 -3.877 -25.284 852 2HG PRO 65 1HG PRO 65 -15.622 -4.499 -26.908 853 1HD PRO 65 2HD PRO 65 -16.887 -2.232 -25.589 854 2HD PRO 65 1HD PRO 65 -17.122 -2.818 -27.255 855 H SER 66 H SER 66 -20.663 -4.811 -24.329 856 HA SER 66 HA SER 66 -21.611 -4.697 -22.165 857 1HB SER 66 2HB SER 66 -20.179 -7.048 -22.564 858 2HB SER 66 1HB SER 66 -19.600 -6.479 -21.001 859 HG SER 66 HG SER 66 -21.719 -6.408 -20.282 860 H LYS 67 H LYS 67 -19.889 -2.548 -22.600 861 HA LYS 67 HA LYS 67 -18.523 -0.962 -21.480 862 1HB LYS 67 2HB LYS 67 -20.239 -2.379 -19.464 863 2HB LYS 67 1HB LYS 67 -19.098 -1.153 -18.910 864 1HG LYS 67 2HG LYS 67 -20.153 0.559 -20.136 865 2HG LYS 67 1HG LYS 67 -20.974 -0.586 -21.199 866 1HD LYS 67 2HD LYS 67 -22.767 -0.492 -19.846 867 2HD LYS 67 1HD LYS 67 -21.795 -1.223 -18.568 868 1HE LYS 67 2HE LYS 67 -21.706 0.734 -17.426 869 2HE LYS 67 1HE LYS 67 -21.191 1.619 -18.875 870 1HZ LYS 67 3HZ LYS 67 -23.573 1.316 -19.652 871 2HZ LYS 67 2HZ LYS 67 -23.941 0.905 -18.044 872 3HZ LYS 67 1HZ LYS 67 -23.319 2.443 -18.411 873 H LYS 68 H LYS 68 -16.419 -1.916 -21.979 874 HA LYS 68 HA LYS 68 -14.912 -2.764 -19.641 875 1HB LYS 68 2HB LYS 68 -16.140 -4.820 -20.114 876 2HB LYS 68 1HB LYS 68 -15.636 -4.764 -21.804 877 1HG LYS 68 2HG LYS 68 -13.521 -5.508 -21.340 878 2HG LYS 68 1HG LYS 68 -13.457 -4.671 -19.788 879 1HD LYS 68 2HD LYS 68 -14.361 -6.433 -18.649 880 2HD LYS 68 1HD LYS 68 -15.432 -6.874 -19.978 881 1HE LYS 68 2HE LYS 68 -13.929 -8.355 -20.843 882 2HE LYS 68 1HE LYS 68 -12.561 -7.259 -20.566 883 1HZ LYS 68 3HZ LYS 68 -12.904 -7.717 -18.131 884 2HZ LYS 68 2HZ LYS 68 -13.932 -8.990 -18.587 885 3HZ LYS 68 1HZ LYS 68 -12.294 -9.017 -19.034 886 H ILE 69 H ILE 69 -13.201 -1.396 -20.161 887 HA ILE 69 HA ILE 69 -12.224 -1.252 -22.939 888 HB ILE 69 HB ILE 69 -12.441 0.460 -20.721 889 1HG1 ILE 69 2HG1 ILE 69 -12.680 1.216 -22.985 890 2HG1 ILE 69 1HG1 ILE 69 -11.338 2.112 -22.279 891 1HG2 ILE 69 1HG2 ILE 69 -10.196 -0.532 -19.989 892 2HG2 ILE 69 3HG2 ILE 69 -9.503 0.269 -21.398 893 3HG2 ILE 69 2HG2 ILE 69 -10.273 1.224 -20.133 894 1HD1 ILE 69 2HD1 ILE 69 -9.811 0.311 -23.286 895 2HD1 ILE 69 1HD1 ILE 69 -11.217 -0.202 -24.217 896 3HD1 ILE 69 3HD1 ILE 69 -10.569 1.424 -24.423 897 H VAL 70 H VAL 70 -9.922 -1.628 -23.408 898 HA VAL 70 HA VAL 70 -8.228 -3.065 -21.522 899 HB VAL 70 HB VAL 70 -9.829 -4.822 -22.040 900 1HG1 VAL 70 3HG1 VAL 70 -9.825 -3.533 -24.604 901 2HG1 VAL 70 2HG1 VAL 70 -9.426 -5.237 -24.823 902 3HG1 VAL 70 1HG1 VAL 70 -10.919 -4.779 -24.003 903 1HG2 VAL 70 1HG2 VAL 70 -7.104 -5.035 -22.421 904 2HG2 VAL 70 3HG2 VAL 70 -8.225 -6.397 -22.360 905 3HG2 VAL 70 2HG2 VAL 70 -7.746 -5.718 -23.915 906 H VAL 71 H VAL 71 -6.411 -1.925 -22.123 907 HA VAL 71 HA VAL 71 -5.393 -2.302 -24.861 908 HB VAL 71 HB VAL 71 -5.092 0.250 -25.028 909 1HG1 VAL 71 1HG1 VAL 71 -6.865 -1.203 -26.182 910 2HG1 VAL 71 3HG1 VAL 71 -7.978 -0.635 -24.938 911 3HG1 VAL 71 2HG1 VAL 71 -7.225 0.518 -26.040 912 1HG2 VAL 71 1HG2 VAL 71 -6.145 0.103 -22.410 913 2HG2 VAL 71 3HG2 VAL 71 -5.823 1.560 -23.348 914 3HG2 VAL 71 2HG2 VAL 71 -7.418 0.813 -23.403 915 H SER 72 H SER 72 -3.938 0.428 -23.478 916 HA SER 72 HA SER 72 -1.866 -1.284 -22.154 917 1HB SER 72 2HB SER 72 -0.959 -0.528 -24.200 918 2HB SER 72 1HB SER 72 -1.742 1.045 -24.064 919 HG SER 72 HG SER 72 0.663 0.645 -23.474 920 H THR 73 H THR 73 -1.571 -0.743 -20.022 921 HA THR 73 HA THR 73 -2.961 1.384 -18.726 922 HB THR 73 HB THR 73 -2.081 -0.683 -17.667 923 HG1 THR 73 HG1 THR 73 -2.442 1.256 -16.441 924 1HG2 THR 73 2HG2 THR 73 0.089 -0.584 -19.006 925 2HG2 THR 73 1HG2 THR 73 0.640 0.621 -17.840 926 3HG2 THR 73 3HG2 THR 73 0.254 -1.014 -17.302 927 H LYS 74 H LYS 74 0.242 1.228 -20.215 928 HA LYS 74 HA LYS 74 1.383 3.606 -19.159 929 1HB LYS 74 2HB LYS 74 2.524 1.906 -20.566 930 2HB LYS 74 1HB LYS 74 1.556 2.422 -21.945 931 1HG LYS 74 2HG LYS 74 2.512 4.805 -21.346 932 2HG LYS 74 1HG LYS 74 3.778 3.871 -20.550 933 1HD LYS 74 2HD LYS 74 4.486 2.879 -22.552 934 2HD LYS 74 1HD LYS 74 2.954 3.202 -23.365 935 1HE LYS 74 2HE LYS 74 4.303 4.865 -24.308 936 2HE LYS 74 1HE LYS 74 3.649 5.740 -22.908 937 1HZ LYS 74 3HZ LYS 74 6.178 4.178 -22.922 938 2HZ LYS 74 2HZ LYS 74 6.079 5.872 -22.996 939 3HZ LYS 74 1HZ LYS 74 5.550 5.048 -21.608 940 H TYR 75 H TYR 75 -0.596 3.137 -22.095 941 HA TYR 75 HA TYR 75 -0.818 5.897 -22.815 942 1HB TYR 75 2HB TYR 75 -1.558 4.571 -24.533 943 2HB TYR 75 1HB TYR 75 -2.000 3.265 -23.442 944 HD1 TYR 75 HD1 TYR 75 -3.153 6.761 -24.275 945 HD2 TYR 75 HD2 TYR 75 -4.261 2.697 -23.326 946 HE1 TYR 75 HE1 TYR 75 -5.559 7.355 -24.544 947 HE2 TYR 75 HE2 TYR 75 -6.665 3.290 -23.595 948 HH TYR 75 HH TYR 75 -7.745 5.960 -25.149 949 H LEU 76 H LEU 76 -3.024 3.761 -20.982 950 HA LEU 76 HA LEU 76 -5.026 5.587 -20.254 951 1HB LEU 76 2HB LEU 76 -3.971 3.015 -19.465 952 2HB LEU 76 1HB LEU 76 -4.446 3.920 -18.033 953 HG LEU 76 HG LEU 76 -6.328 2.597 -18.919 954 1HD1 LEU 76 2HD1 LEU 76 -6.407 5.146 -18.031 955 2HD1 LEU 76 1HD1 LEU 76 -7.117 5.373 -19.629 956 3HD1 LEU 76 3HD1 LEU 76 -7.856 4.251 -18.486 957 1HD2 LEU 76 2HD2 LEU 76 -5.485 2.776 -21.321 958 2HD2 LEU 76 1HD2 LEU 76 -7.224 2.983 -21.106 959 3HD2 LEU 76 3HD2 LEU 76 -6.192 4.392 -21.351 960 H GLN 77 H GLN 77 -1.853 5.020 -18.739 961 HA GLN 77 HA GLN 77 -2.213 6.813 -16.515 962 1HB GLN 77 2HB GLN 77 -0.264 5.047 -17.618 963 2HB GLN 77 1HB GLN 77 0.522 6.605 -17.370 964 1HG GLN 77 2HG GLN 77 0.792 5.718 -15.258 965 2HG GLN 77 1HG GLN 77 -0.787 6.476 -15.048 966 1HE2 GLN 77 2HE2 GLN 77 -2.509 3.407 -14.692 967 2HE2 GLN 77 1HE2 GLN 77 -2.633 5.098 -14.793 968 H GLN 78 H GLN 78 -0.675 7.219 -19.724 969 HA GLN 78 HA GLN 78 0.159 9.926 -19.394 970 1HB GLN 78 2HB GLN 78 0.400 7.989 -21.272 971 2HB GLN 78 1HB GLN 78 -0.834 8.989 -22.039 972 1HG GLN 78 2HG GLN 78 1.160 10.730 -20.965 973 2HG GLN 78 1HG GLN 78 1.979 9.469 -21.889 974 1HE2 GLN 78 2HE2 GLN 78 -0.048 10.358 -24.887 975 2HE2 GLN 78 1HE2 GLN 78 0.193 8.956 -23.961 976 H LEU 79 H LEU 79 -2.961 8.491 -20.076 977 HA LEU 79 HA LEU 79 -4.267 10.897 -21.043 978 1HB LEU 79 2HB LEU 79 -4.922 8.453 -21.368 979 2HB LEU 79 1HB LEU 79 -5.472 8.470 -19.689 980 HG LEU 79 HG LEU 79 -6.883 10.502 -20.319 981 1HD1 LEU 79 1HD1 LEU 79 -5.425 10.390 -22.650 982 2HD1 LEU 79 3HD1 LEU 79 -6.937 9.619 -23.127 983 3HD1 LEU 79 2HD1 LEU 79 -6.951 11.252 -22.462 984 1HD2 LEU 79 3HD2 LEU 79 -7.390 7.780 -20.461 985 2HD2 LEU 79 2HD2 LEU 79 -8.610 9.052 -20.527 986 3HD2 LEU 79 1HD2 LEU 79 -7.961 8.374 -22.020 987 H GLN 80 H GLN 80 -4.202 9.193 -17.914 988 HA GLN 80 HA GLN 80 -5.869 11.033 -16.492 989 1HB GLN 80 2HB GLN 80 -4.251 8.677 -16.069 990 2HB GLN 80 1HB GLN 80 -3.996 9.819 -14.751 991 1HG GLN 80 2HG GLN 80 -6.059 9.437 -13.911 992 2HG GLN 80 1HG GLN 80 -6.808 9.638 -15.494 993 1HE2 GLN 80 2HE2 GLN 80 -6.033 6.049 -16.247 994 2HE2 GLN 80 1HE2 GLN 80 -5.572 7.532 -16.930 995 H LYS 81 H LYS 81 -2.299 10.745 -16.704 996 HA LYS 81 HA LYS 81 -1.683 13.000 -15.057 997 1HB LYS 81 2HB LYS 81 -0.271 11.684 -17.405 998 2HB LYS 81 1HB LYS 81 0.492 12.874 -16.350 999 1HG LYS 81 2HG LYS 81 0.201 11.441 -14.419 1000 2HG LYS 81 1HG LYS 81 -0.752 10.294 -15.361 1001 1HD LYS 81 2HD LYS 81 1.474 9.394 -15.212 1002 2HD LYS 81 1HD LYS 81 1.273 9.998 -16.857 1003 1HE LYS 81 2HE LYS 81 2.462 12.067 -16.282 1004 2HE LYS 81 1HE LYS 81 2.611 11.530 -14.597 1005 1HZ LYS 81 1HZ LYS 81 3.715 9.500 -15.443 1006 2HZ LYS 81 3HZ LYS 81 3.710 10.171 -17.000 1007 3HZ LYS 81 2HZ LYS 81 4.599 10.916 -15.759 1008 H ASP 82 H ASP 82 -2.312 12.703 -18.552 1009 HA ASP 82 HA ASP 82 -1.707 15.355 -19.351 1010 1HB ASP 82 2HB ASP 82 -2.263 13.411 -20.818 1011 2HB ASP 82 1HB ASP 82 -3.939 13.511 -20.279 1012 H LEU 83 H LEU 83 -4.620 13.968 -17.865 1013 HA LEU 83 HA LEU 83 -6.225 16.367 -18.018 1014 1HB LEU 83 2HB LEU 83 -6.936 13.936 -17.670 1015 2HB LEU 83 1HB LEU 83 -6.383 14.108 -16.004 1016 HG LEU 83 HG LEU 83 -8.297 16.111 -17.181 1017 1HD1 LEU 83 2HD1 LEU 83 -8.857 13.368 -17.012 1018 2HD1 LEU 83 1HD1 LEU 83 -9.580 14.064 -15.562 1019 3HD1 LEU 83 3HD1 LEU 83 -10.035 14.672 -17.153 1020 1HD2 LEU 83 1HD2 LEU 83 -7.224 15.338 -14.527 1021 2HD2 LEU 83 3HD2 LEU 83 -7.764 16.914 -15.106 1022 3HD2 LEU 83 2HD2 LEU 83 -8.944 15.722 -14.562 1023 H ASN 84 H ASN 84 -4.015 14.994 -15.592 1024 HA ASN 84 HA ASN 84 -4.546 16.951 -13.532 1025 1HB ASN 84 2HB ASN 84 -3.097 14.596 -13.903 1026 2HB ASN 84 1HB ASN 84 -1.858 15.812 -13.610 1027 1HD2 ASN 84 2HD2 ASN 84 -2.481 15.679 -10.154 1028 2HD2 ASN 84 1HD2 ASN 84 -1.350 15.797 -11.414 1029 H ASP 85 H ASP 85 -2.460 16.820 -16.358 1030 HA ASP 85 HA ASP 85 -0.835 19.134 -15.629 1031 1HB ASP 85 2HB ASP 85 -0.482 17.119 -17.318 1032 2HB ASP 85 1HB ASP 85 -1.322 18.185 -18.444 1033 H LYS 86 H LYS 86 -3.979 18.610 -16.963 1034 HA LYS 86 HA LYS 86 -4.210 21.248 -18.245 1035 1HB LYS 86 2HB LYS 86 -5.547 18.745 -18.232 1036 2HB LYS 86 1HB LYS 86 -6.693 19.911 -17.575 1037 1HG LYS 86 2HG LYS 86 -6.870 19.767 -20.042 1038 2HG LYS 86 1HG LYS 86 -6.343 21.371 -19.529 1039 1HD LYS 86 2HD LYS 86 -4.227 21.100 -20.375 1040 2HD LYS 86 1HD LYS 86 -4.205 19.367 -20.050 1041 1HE LYS 86 2HE LYS 86 -4.516 19.164 -22.308 1042 2HE LYS 86 1HE LYS 86 -6.206 19.573 -21.947 1043 1HZ LYS 86 1HZ LYS 86 -5.522 21.951 -22.049 1044 2HZ LYS 86 3HZ LYS 86 -4.013 21.451 -22.642 1045 3HZ LYS 86 2HZ LYS 86 -5.421 21.141 -23.540 1046 H THR 87 H THR 87 -4.879 19.647 -15.213 1047 HA THR 87 HA THR 87 -6.441 21.785 -14.008 1048 HB THR 87 HB THR 87 -5.006 19.261 -13.132 1049 HG1 THR 87 HG1 THR 87 -6.904 18.726 -13.927 1050 1HG2 THR 87 3HG2 THR 87 -5.893 21.510 -11.460 1051 2HG2 THR 87 2HG2 THR 87 -6.574 19.954 -10.983 1052 3HG2 THR 87 1HG2 THR 87 -4.824 20.164 -11.067 1053 H GLU 88 H GLU 88 -3.056 20.649 -13.881 1054 HA GLU 88 HA GLU 88 -2.077 22.656 -12.074 1055 1HB GLU 88 2HB GLU 88 -0.948 20.802 -14.162 1056 2HB GLU 88 1HB GLU 88 0.102 22.014 -13.427 1057 1HG GLU 88 2HG GLU 88 -0.843 21.117 -11.167 1058 2HG GLU 88 1HG GLU 88 -1.317 19.707 -12.114 1059 H GLU 89 H GLU 89 -2.584 22.517 -15.562 1060 HA GLU 89 HA GLU 89 -1.276 25.044 -16.170 1061 1HB GLU 89 2HB GLU 89 -2.907 22.956 -17.482 1062 2HB GLU 89 1HB GLU 89 -3.112 24.571 -18.159 1063 1HG GLU 89 2HG GLU 89 -0.397 23.327 -17.665 1064 2HG GLU 89 1HG GLU 89 -1.247 23.197 -19.206 1065 H ASN 90 H ASN 90 -4.686 24.011 -15.836 1066 HA ASN 90 HA ASN 90 -5.964 26.515 -16.124 1067 1HB ASN 90 2HB ASN 90 -6.470 23.858 -14.992 1068 2HB ASN 90 1HB ASN 90 -7.342 25.123 -14.129 1069 1HD2 ASN 90 2HD2 ASN 90 -8.947 23.879 -17.489 1070 2HD2 ASN 90 1HD2 ASN 90 -7.961 22.973 -16.447 1071 H ASN 91 H ASN 91 -4.079 25.172 -13.507 1072 HA ASN 91 HA ASN 91 -4.882 27.093 -11.468 1073 1HB ASN 91 2HB ASN 91 -3.069 24.806 -11.872 1074 2HB ASN 91 1HB ASN 91 -2.428 26.018 -10.768 1075 1HD2 ASN 91 2HD2 ASN 91 -5.727 23.844 -9.695 1076 2HD2 ASN 91 1HD2 ASN 91 -5.174 23.812 -11.300 1077 H ARG 92 H ARG 92 -2.181 26.748 -13.758 1078 HA ARG 92 HA ARG 92 -0.820 29.176 -12.846 1079 1HB ARG 92 2HB ARG 92 -0.061 26.937 -14.116 1080 2HB ARG 92 1HB ARG 92 -0.380 27.945 -15.528 1081 1HG ARG 92 2HG ARG 92 1.519 29.107 -15.204 1082 2HG ARG 92 1HG ARG 92 1.072 29.452 -13.532 1083 1HD ARG 92 2HD ARG 92 2.904 28.144 -13.060 1084 2HD ARG 92 1HD ARG 92 1.769 26.808 -13.344 1085 HE ARG 92 HE ARG 92 2.643 26.590 -15.596 1086 1HH1 ARG 92 1HH2 ARG 92 3.605 28.364 -17.136 1087 2HH1 ARG 92 2HH2 ARG 92 5.203 28.833 -16.661 1088 1HH2 ARG 92 2HH1 ARG 92 4.937 27.481 -13.478 1089 2HH2 ARG 92 1HH1 ARG 92 5.957 28.333 -14.589 1090 H LEU 93 H LEU 93 -2.418 28.256 -15.921 1091 HA LEU 93 HA LEU 93 -2.483 30.744 -17.195 1092 1HB LEU 93 2HB LEU 93 -3.206 28.549 -18.112 1093 2HB LEU 93 1HB LEU 93 -4.638 28.607 -17.083 1094 HG LEU 93 HG LEU 93 -4.053 30.903 -18.925 1095 1HD1 LEU 93 3HD1 LEU 93 -5.266 28.231 -19.666 1096 2HD1 LEU 93 2HD1 LEU 93 -5.544 29.699 -20.603 1097 3HD1 LEU 93 1HD1 LEU 93 -3.912 29.051 -20.442 1098 1HD2 LEU 93 2HD2 LEU 93 -6.112 30.119 -17.116 1099 2HD2 LEU 93 1HD2 LEU 93 -6.060 31.556 -18.139 1100 3HD2 LEU 93 3HD2 LEU 93 -6.793 30.068 -18.742 1101 H LYS 94 H LYS 94 -4.351 29.611 -14.459 1102 HA LYS 94 HA LYS 94 -6.369 31.711 -14.540 1103 1HB LYS 94 2HB LYS 94 -6.797 29.591 -13.440 1104 2HB LYS 94 1HB LYS 94 -5.361 29.768 -12.433 1105 1HG LYS 94 2HG LYS 94 -6.422 31.870 -11.480 1106 2HG LYS 94 1HG LYS 94 -7.902 31.410 -12.322 1107 1HD LYS 94 2HD LYS 94 -7.519 29.094 -11.132 1108 2HD LYS 94 1HD LYS 94 -6.536 30.049 -10.021 1109 1HE LYS 94 2HE LYS 94 -8.769 30.026 -9.107 1110 2HE LYS 94 1HE LYS 94 -8.552 31.633 -9.829 1111 1HZ LYS 94 3HZ LYS 94 -9.579 29.368 -11.424 1112 2HZ LYS 94 2HZ LYS 94 -10.631 30.311 -10.481 1113 3HZ LYS 94 1HZ LYS 94 -9.726 31.030 -11.727 1114 H ALA 95 H ALA 95 -3.257 31.186 -12.895 1115 HA ALA 95 HA ALA 95 -3.435 33.867 -11.616 1116 1HB ALA 95 1HB ALA 95 -1.953 31.328 -11.277 1117 2HB ALA 95 3HB ALA 95 -1.014 32.781 -10.936 1118 3HB ALA 95 2HB ALA 95 -2.510 32.472 -10.057 1119 H LEU 96 H LEU 96 -2.666 32.880 -14.629 1120 HA LEU 96 HA LEU 96 -0.211 34.567 -14.874 1121 1HB LEU 96 2HB LEU 96 -0.819 32.053 -15.773 1122 2HB LEU 96 1HB LEU 96 -1.257 33.027 -17.176 1123 HG LEU 96 HG LEU 96 1.143 34.148 -16.416 1124 1HD1 LEU 96 3HD1 LEU 96 1.114 31.895 -14.917 1125 2HD1 LEU 96 2HD1 LEU 96 1.802 31.249 -16.408 1126 3HD1 LEU 96 1HD1 LEU 96 2.597 32.586 -15.576 1127 1HD2 LEU 96 1HD2 LEU 96 0.061 32.995 -18.643 1128 2HD2 LEU 96 3HD2 LEU 96 1.735 33.542 -18.538 1129 3HD2 LEU 96 2HD2 LEU 96 1.343 31.843 -18.265 1130 H LEU 97 H LEU 97 -3.594 34.358 -15.712 1131 HA LEU 97 HA LEU 97 -3.321 36.756 -17.488 1132 1HB LEU 97 2HB LEU 97 -5.375 34.536 -17.264 1133 2HB LEU 97 1HB LEU 97 -5.567 35.938 -18.318 1134 HG LEU 97 HG LEU 97 -3.144 34.131 -18.433 1135 1HD1 LEU 97 1HD1 LEU 97 -5.707 33.330 -19.063 1136 2HD1 LEU 97 3HD1 LEU 97 -5.114 33.940 -20.607 1137 3HD1 LEU 97 2HD1 LEU 97 -4.237 32.659 -19.769 1138 1HD2 LEU 97 3HD2 LEU 97 -3.898 36.624 -19.640 1139 2HD2 LEU 97 2HD2 LEU 97 -2.418 35.696 -19.882 1140 3HD2 LEU 97 1HD2 LEU 97 -3.827 35.391 -20.898 1141 H LEU 98 H LEU 98 -4.696 35.525 -14.526 1142 HA LEU 98 HA LEU 98 -6.874 37.281 -14.127 1143 1HB LEU 98 2HB LEU 98 -6.376 35.353 -12.724 1144 2HB LEU 98 1HB LEU 98 -4.837 36.062 -12.236 1145 HG LEU 98 HG LEU 98 -6.964 37.934 -11.758 1146 1HD1 LEU 98 1HD1 LEU 98 -7.359 35.113 -10.783 1147 2HD1 LEU 98 3HD1 LEU 98 -7.934 36.476 -9.824 1148 3HD1 LEU 98 2HD1 LEU 98 -8.550 36.226 -11.456 1149 1HD2 LEU 98 2HD2 LEU 98 -4.846 36.494 -10.185 1150 2HD2 LEU 98 1HD2 LEU 98 -5.007 38.220 -10.509 1151 3HD2 LEU 98 3HD2 LEU 98 -6.066 37.441 -9.332 1152 H GLU 99 H GLU 99 -3.405 37.759 -13.683 1153 HA GLU 99 HA GLU 99 -3.821 40.481 -12.588 1154 1HB GLU 99 2HB GLU 99 -2.141 38.719 -11.769 1155 2HB GLU 99 1HB GLU 99 -1.231 39.061 -13.242 1156 1HG GLU 99 2HG GLU 99 -0.307 40.473 -11.541 1157 2HG GLU 99 1HG GLU 99 -1.295 41.515 -12.566 1158 H ARG 100 HN ARG 100 -2.916 38.870 -15.565 1159 HA ARG 100 HA ARG 100 -1.960 41.399 -16.792 1160 1HB ARG 100 2HB ARG 100 -1.667 38.524 -17.160 1161 2HB ARG 100 1HB ARG 100 -2.048 39.329 -18.683 1162 1HG ARG 100 2HG ARG 100 -0.052 40.423 -18.751 1163 2HG ARG 100 1HG ARG 100 -0.048 40.723 -17.013 1164 1HD ARG 100 2HD ARG 100 1.184 38.852 -16.584 1165 2HD ARG 100 1HD ARG 100 0.255 37.874 -17.738 1166 HE ARG 100 HE ARG 100 1.577 39.364 -19.491 1167 1HH1 ARG 100 1HH2 ARG 100 3.767 40.496 -18.921 1168 2HH1 ARG 100 2HH2 ARG 100 4.949 39.372 -18.337 1169 1HH2 ARG 100 1HH1 ARG 100 2.635 36.874 -17.682 1170 2HH2 ARG 100 2HH1 ARG 100 4.307 37.321 -17.635 No H/Q in entry = 1170 Start of MODEL 3 1 1H MET 30 2H MET 30 16.797 -15.818 -34.084 2 2H MET 30 1H MET 30 17.835 -16.720 -33.087 3 3H MET 30 3H MET 30 18.466 -15.849 -34.398 4 HA MET 30 HA MET 30 18.414 -18.064 -35.150 5 1HB MET 30 2HB MET 30 16.200 -18.031 -33.265 6 2HB MET 30 1HB MET 30 15.748 -18.866 -34.752 7 1HG MET 30 2HG MET 30 17.842 -20.221 -34.575 8 2HG MET 30 1HG MET 30 18.167 -19.453 -33.021 9 1HE MET 30 3HE MET 30 18.354 -20.863 -31.649 10 2HE MET 30 2HE MET 30 16.957 -20.973 -30.583 11 3HE MET 30 1HE MET 30 17.527 -22.411 -31.426 12 H SER 31 H SER 31 15.190 -16.486 -35.272 13 HA SER 31 HA SER 31 15.520 -15.615 -38.019 14 1HB SER 31 2HB SER 31 13.658 -17.325 -38.749 15 2HB SER 31 1HB SER 31 15.334 -17.860 -38.664 16 HG SER 31 HG SER 31 13.551 -18.039 -36.471 17 H VAL 32 H VAL 32 14.630 -14.275 -35.728 18 HA VAL 32 HA VAL 32 11.806 -14.275 -35.300 19 HB VAL 32 HB VAL 32 13.909 -12.097 -35.068 20 1HG1 VAL 32 1HG1 VAL 32 11.086 -12.319 -33.994 21 2HG1 VAL 32 3HG1 VAL 32 12.278 -11.200 -33.334 22 3HG1 VAL 32 2HG1 VAL 32 11.754 -11.041 -35.010 23 1HG2 VAL 32 2HG2 VAL 32 12.845 -14.198 -33.160 24 2HG2 VAL 32 1HG2 VAL 32 14.508 -13.993 -33.712 25 3HG2 VAL 32 3HG2 VAL 32 13.785 -12.803 -32.628 26 H ALA 33 H ALA 33 10.206 -13.631 -36.681 27 HA ALA 33 HA ALA 33 10.851 -11.551 -38.741 28 1HB ALA 33 1HB ALA 33 10.873 -13.888 -39.636 29 2HB ALA 33 3HB ALA 33 9.203 -14.075 -39.102 30 3HB ALA 33 2HB ALA 33 9.602 -12.901 -40.357 31 H CYS 34 H CYS 34 8.943 -10.314 -39.420 32 HA CYS 34 HA CYS 34 7.198 -9.503 -37.349 33 1HB CYS 34 2HB CYS 34 6.801 -9.444 -40.357 34 2HB CYS 34 1HB CYS 34 5.981 -8.405 -39.195 35 H LEU 35 H LEU 35 4.637 -9.650 -37.837 36 HA LEU 35 HA LEU 35 3.914 -12.435 -37.467 37 1HB LEU 35 2HB LEU 35 2.693 -9.753 -37.395 38 2HB LEU 35 1HB LEU 35 1.585 -11.036 -37.879 39 HG LEU 35 HG LEU 35 2.961 -12.169 -35.757 40 1HD1 LEU 35 2HD1 LEU 35 3.688 -9.607 -35.501 41 2HD1 LEU 35 1HD1 LEU 35 2.118 -9.505 -34.704 42 3HD1 LEU 35 3HD1 LEU 35 3.346 -10.616 -34.096 43 1HD2 LEU 35 3HD2 LEU 35 0.291 -11.135 -36.355 44 2HD2 LEU 35 2HD2 LEU 35 0.755 -12.598 -35.486 45 3HD2 LEU 35 1HD2 LEU 35 0.667 -11.056 -34.634 46 H SER 36 H SER 36 3.784 -10.133 -40.113 47 HA SER 36 HA SER 36 2.205 -11.824 -41.886 48 1HB SER 36 2HB SER 36 3.364 -9.184 -41.792 49 2HB SER 36 1HB SER 36 3.807 -9.951 -43.314 50 HG SER 36 HG SER 36 1.443 -8.947 -42.539 51 H CYS 37 H CYS 37 5.667 -11.016 -41.551 52 HA CYS 37 HA CYS 37 6.599 -12.716 -43.677 53 1HB CYS 37 2HB CYS 37 7.959 -11.746 -41.139 54 2HB CYS 37 1HB CYS 37 8.778 -12.313 -42.593 55 H ARG 38 H ARG 38 5.834 -13.240 -40.273 56 HA ARG 38 HA ARG 38 7.110 -15.830 -40.029 57 1HB ARG 38 2HB ARG 38 6.527 -14.348 -38.140 58 2HB ARG 38 1HB ARG 38 4.816 -14.513 -38.535 59 1HG ARG 38 2HG ARG 38 5.276 -16.065 -36.755 60 2HG ARG 38 1HG ARG 38 5.090 -17.014 -38.231 61 1HD ARG 38 2HD ARG 38 7.556 -17.080 -38.499 62 2HD ARG 38 1HD ARG 38 7.732 -16.159 -36.991 63 HE ARG 38 HE ARG 38 6.121 -18.647 -36.875 64 1HH1 ARG 38 1HH2 ARG 38 6.642 -18.184 -34.291 65 2HH1 ARG 38 2HH2 ARG 38 8.242 -18.746 -33.939 66 1HH2 ARG 38 2HH1 ARG 38 9.227 -18.836 -37.264 67 2HH2 ARG 38 1HH1 ARG 38 9.706 -19.115 -35.622 68 H LYS 39 H LYS 39 3.851 -14.722 -40.905 69 HA LYS 39 HA LYS 39 2.546 -17.262 -40.954 70 1HB LYS 39 2HB LYS 39 1.351 -15.150 -41.009 71 2HB LYS 39 1HB LYS 39 2.164 -14.679 -42.501 72 1HG LYS 39 2HG LYS 39 0.689 -17.260 -42.560 73 2HG LYS 39 1HG LYS 39 -0.291 -15.795 -42.479 74 1HD LYS 39 2HD LYS 39 1.163 -14.906 -44.401 75 2HD LYS 39 1HD LYS 39 1.732 -16.564 -44.586 76 1HE LYS 39 2HE LYS 39 -1.117 -16.663 -44.371 77 2HE LYS 39 1HE LYS 39 -0.702 -15.433 -45.581 78 1HZ LYS 39 2HZ LYS 39 0.502 -18.148 -45.454 79 2HZ LYS 39 1HZ LYS 39 -0.752 -17.706 -46.512 80 3HZ LYS 39 3HZ LYS 39 0.771 -16.975 -46.654 81 H ARG 40 H ARG 40 4.499 -15.545 -43.373 82 HA ARG 40 HA ARG 40 4.172 -17.837 -45.263 83 1HB ARG 40 2HB ARG 40 5.366 -15.072 -45.623 84 2HB ARG 40 1HB ARG 40 4.999 -16.221 -46.911 85 1HG ARG 40 2HG ARG 40 2.605 -16.137 -46.267 86 2HG ARG 40 1HG ARG 40 2.998 -14.942 -45.031 87 1HD ARG 40 2HD ARG 40 3.812 -13.386 -46.757 88 2HD ARG 40 1HD ARG 40 3.471 -14.592 -48.015 89 HE ARG 40 HE ARG 40 1.187 -14.000 -46.274 90 1HH1 ARG 40 1HH2 ARG 40 2.543 -11.693 -48.038 91 2HH1 ARG 40 2HH2 ARG 40 1.378 -11.637 -49.318 92 1HH2 ARG 40 2HH1 ARG 40 -0.163 -14.604 -48.401 93 2HH2 ARG 40 1HH1 ARG 40 -0.155 -13.286 -49.523 94 H HIS 41 H HIS 41 6.155 -17.096 -42.774 95 HA HIS 41 HA HIS 41 8.367 -17.666 -42.215 96 1HB HIS 41 2HB HIS 41 7.990 -19.451 -44.642 97 2HB HIS 41 1HB HIS 41 9.136 -19.705 -43.328 98 HD1 HIS 41 HD1 HIS 41 6.153 -21.115 -44.358 99 HD2 HIS 41 HD2 HIS 41 7.317 -19.485 -40.703 100 HE1 HIS 41 HE1 HIS 41 4.593 -22.081 -42.613 101 H ILE 42 H ILE 42 8.548 -15.312 -43.317 102 HA ILE 42 HA ILE 42 10.317 -15.463 -45.718 103 HB ILE 42 HB ILE 42 8.958 -13.099 -44.384 104 1HG1 ILE 42 2HG1 ILE 42 8.075 -14.676 -46.821 105 2HG1 ILE 42 1HG1 ILE 42 7.367 -14.855 -45.217 106 1HG2 ILE 42 3HG2 ILE 42 10.870 -13.372 -46.531 107 2HG2 ILE 42 2HG2 ILE 42 9.355 -12.720 -47.157 108 3HG2 ILE 42 1HG2 ILE 42 10.190 -11.900 -45.838 109 1HD1 ILE 42 1HD1 ILE 42 7.349 -12.104 -45.636 110 2HD1 ILE 42 3HD1 ILE 42 6.924 -12.768 -47.213 111 3HD1 ILE 42 2HD1 ILE 42 5.962 -13.182 -45.794 112 H LYS 43 H LYS 43 12.389 -14.510 -45.646 113 HA LYS 43 HA LYS 43 13.725 -14.479 -43.066 114 1HB LYS 43 2HB LYS 43 14.556 -13.615 -45.857 115 2HB LYS 43 1HB LYS 43 15.664 -13.833 -44.502 116 1HG LYS 43 2HG LYS 43 14.758 -16.214 -44.317 117 2HG LYS 43 1HG LYS 43 13.988 -15.940 -45.881 118 1HD LYS 43 2HD LYS 43 16.321 -15.218 -46.704 119 2HD LYS 43 1HD LYS 43 16.936 -15.966 -45.228 120 1HE LYS 43 2HE LYS 43 15.873 -18.109 -45.861 121 2HE LYS 43 1HE LYS 43 15.264 -17.361 -47.351 122 1HZ LYS 43 2HZ LYS 43 18.125 -17.417 -46.552 123 2HZ LYS 43 1HZ LYS 43 17.424 -18.504 -47.653 124 3HZ LYS 43 3HZ LYS 43 17.490 -16.851 -48.024 125 H CYS 44 H CYS 44 12.257 -12.740 -42.115 126 HA CYS 44 HA CYS 44 12.059 -10.087 -42.995 127 1HB CYS 44 2HB CYS 44 10.954 -11.230 -41.034 128 2HB CYS 44 1HB CYS 44 12.466 -11.042 -40.146 129 HA PRO 45 HA PRO 45 16.316 -8.705 -42.860 130 1HB PRO 45 2HB PRO 45 15.503 -5.980 -42.439 131 2HB PRO 45 1HB PRO 45 16.047 -6.731 -43.941 132 1HG PRO 45 2HG PRO 45 13.396 -5.885 -43.267 133 2HG PRO 45 1HG PRO 45 13.938 -6.666 -44.755 134 1HD PRO 45 2HD PRO 45 12.335 -7.800 -42.632 135 2HD PRO 45 1HD PRO 45 12.853 -8.575 -44.148 136 H GLY 46 H GLY 46 13.931 -7.629 -40.469 137 1HA GLY 46 2HA GLY 46 14.334 -7.942 -38.082 138 2HA GLY 46 1HA GLY 46 16.062 -7.774 -38.391 139 H GLY 47 H GLY 47 13.010 -5.968 -38.336 140 1HA GLY 47 2HA GLY 47 14.387 -3.642 -37.229 141 2HA GLY 47 1HA GLY 47 13.782 -3.382 -38.866 142 H ASN 48 H ASN 48 12.683 -1.793 -36.977 143 HA ASN 48 HA ASN 48 9.911 -2.868 -36.779 144 1HB ASN 48 2HB ASN 48 11.822 -2.316 -34.614 145 2HB ASN 48 1HB ASN 48 10.246 -1.556 -34.381 146 1HD2 ASN 48 2HD2 ASN 48 8.600 -4.880 -34.679 147 2HD2 ASN 48 1HD2 ASN 48 8.500 -3.399 -35.507 148 HA PRO 49 HA PRO 49 8.470 -2.428 -38.056 149 1HB PRO 49 2HB PRO 49 8.382 -1.156 -40.627 150 2HB PRO 49 1HB PRO 49 7.044 -1.424 -39.512 151 1HG PRO 49 2HG PRO 49 8.259 1.062 -40.182 152 2HG PRO 49 1HG PRO 49 6.999 0.772 -38.981 153 1HD PRO 49 2HD PRO 49 9.812 1.397 -38.541 154 2HD PRO 49 1HD PRO 49 8.502 1.272 -37.341 155 H CYS 50 H CYS 50 9.026 -3.738 -40.163 156 HA CYS 50 HA CYS 50 11.975 -3.887 -40.380 157 1HB CYS 50 2HB CYS 50 11.454 -6.056 -41.422 158 2HB CYS 50 1HB CYS 50 10.541 -5.874 -39.926 159 H GLN 51 H GLN 51 11.293 -5.166 -43.197 160 HA GLN 51 HA GLN 51 10.959 -2.596 -44.686 161 1HB GLN 51 2HB GLN 51 13.357 -3.122 -44.336 162 2HB GLN 51 1HB GLN 51 13.113 -4.694 -45.097 163 1HG GLN 51 2HG GLN 51 13.783 -3.542 -46.965 164 2HG GLN 51 1HG GLN 51 12.070 -3.126 -47.021 165 1HE2 GLN 51 2HE2 GLN 51 12.590 0.274 -46.073 166 2HE2 GLN 51 1HE2 GLN 51 11.439 -0.968 -46.197 167 H LYS 52 H LYS 52 11.056 -6.155 -44.844 168 HA LYS 52 HA LYS 52 10.079 -6.466 -47.500 169 1HB LYS 52 2HB LYS 52 10.230 -8.057 -44.984 170 2HB LYS 52 1HB LYS 52 9.173 -8.670 -46.259 171 1HG LYS 52 2HG LYS 52 11.862 -7.746 -47.121 172 2HG LYS 52 1HG LYS 52 11.818 -9.224 -46.160 173 1HD LYS 52 2HD LYS 52 11.179 -10.366 -47.987 174 2HD LYS 52 1HD LYS 52 9.700 -9.405 -48.045 175 1HE LYS 52 2HE LYS 52 10.451 -8.498 -49.982 176 2HE LYS 52 1HE LYS 52 11.769 -7.744 -49.062 177 1HZ LYS 52 3HZ LYS 52 11.841 -10.582 -49.911 178 2HZ LYS 52 2HZ LYS 52 12.466 -9.333 -50.879 179 3HZ LYS 52 1HZ LYS 52 13.123 -9.629 -49.341 180 H CYS 53 H CYS 53 8.393 -5.695 -44.522 181 HA CYS 53 HA CYS 53 5.742 -6.145 -45.790 182 1HB CYS 53 2HB CYS 53 6.868 -5.571 -43.086 183 2HB CYS 53 1HB CYS 53 5.152 -5.331 -43.375 184 H VAL 54 H VAL 54 7.767 -3.562 -44.417 185 HA VAL 54 HA VAL 54 5.876 -1.442 -44.714 186 HB VAL 54 HB VAL 54 8.886 -1.188 -45.003 187 1HG1 VAL 54 1HG1 VAL 54 6.818 0.672 -44.891 188 2HG1 VAL 54 3HG1 VAL 54 7.452 0.654 -43.243 189 3HG1 VAL 54 2HG1 VAL 54 8.526 1.006 -44.600 190 1HG2 VAL 54 2HG2 VAL 54 7.252 -1.756 -42.520 191 2HG2 VAL 54 1HG2 VAL 54 8.692 -2.603 -43.087 192 3HG2 VAL 54 3HG2 VAL 54 8.826 -0.968 -42.448 193 H THR 55 H THR 55 8.129 -3.015 -46.860 194 HA THR 55 HA THR 55 7.913 -1.110 -49.036 195 HB THR 55 HB THR 55 9.821 -2.654 -48.555 196 HG1 THR 55 HG1 THR 55 10.238 -2.589 -50.604 197 1HG2 THR 55 3HG2 THR 55 8.230 -4.555 -47.946 198 2HG2 THR 55 2HG2 THR 55 8.082 -4.842 -49.678 199 3HG2 THR 55 1HG2 THR 55 9.653 -4.992 -48.889 200 H SER 56 H SER 56 6.381 -4.214 -48.206 201 HA SER 56 HA SER 56 4.826 -4.254 -50.707 202 1HB SER 56 2HB SER 56 5.113 -5.953 -48.233 203 2HB SER 56 1HB SER 56 3.794 -6.252 -49.362 204 HG SER 56 HG SER 56 6.193 -7.158 -49.568 205 H ASN 57 H ASN 57 3.503 -4.841 -47.485 206 HA ASN 57 HA ASN 57 2.131 -2.468 -47.002 207 1HB ASN 57 2HB ASN 57 -0.192 -3.324 -47.917 208 2HB ASN 57 1HB ASN 57 0.927 -2.495 -48.985 209 1HD2 ASN 57 2HD2 ASN 57 0.962 -6.587 -49.411 210 2HD2 ASN 57 1HD2 ASN 57 1.037 -5.924 -47.854 211 H ALA 58 H ALA 58 3.243 -4.571 -45.544 212 HA ALA 58 HA ALA 58 0.843 -5.728 -44.155 213 1HB ALA 58 2HB ALA 58 3.588 -6.759 -44.817 214 2HB ALA 58 1HB ALA 58 2.715 -7.433 -43.441 215 3HB ALA 58 3HB ALA 58 2.024 -7.536 -45.060 216 H ILE 59 H ILE 59 1.036 -5.897 -41.804 217 HA ILE 59 HA ILE 59 2.370 -3.611 -40.589 218 HB ILE 59 HB ILE 59 0.947 -5.972 -39.326 219 1HG1 ILE 59 2HG1 ILE 59 -0.180 -3.332 -40.320 220 2HG1 ILE 59 1HG1 ILE 59 -0.464 -4.909 -41.061 221 1HG2 ILE 59 2HG2 ILE 59 2.367 -4.069 -38.066 222 2HG2 ILE 59 1HG2 ILE 59 0.837 -3.206 -38.234 223 3HG2 ILE 59 3HG2 ILE 59 0.891 -4.750 -37.383 224 1HD1 ILE 59 3HD1 ILE 59 -1.176 -5.469 -38.511 225 2HD1 ILE 59 2HD1 ILE 59 -1.598 -3.758 -38.570 226 3HD1 ILE 59 1HD1 ILE 59 -2.319 -4.883 -39.720 227 H CYS 60 H CYS 60 4.234 -3.681 -39.386 228 HA CYS 60 HA CYS 60 5.734 -6.264 -39.368 229 1HB CYS 60 2HB CYS 60 6.868 -3.501 -38.894 230 2HB CYS 60 1HB CYS 60 7.691 -4.935 -39.492 231 H GLU 61 H GLU 61 5.322 -7.237 -37.391 232 HA GLU 61 HA GLU 61 6.017 -5.675 -34.948 233 1HB GLU 61 2HB GLU 61 3.405 -6.932 -35.709 234 2HB GLU 61 1HB GLU 61 3.880 -6.955 -34.010 235 1HG GLU 61 2HG GLU 61 4.415 -4.402 -34.454 236 2HG GLU 61 1HG GLU 61 3.260 -4.611 -35.772 237 H TYR 62 H TYR 62 6.740 -7.038 -33.210 238 HA TYR 62 HA TYR 62 7.292 -9.872 -34.025 239 1HB TYR 62 2HB TYR 62 8.839 -7.946 -32.262 240 2HB TYR 62 1HB TYR 62 9.332 -9.598 -32.632 241 HD1 TYR 62 HD1 TYR 62 8.611 -9.850 -35.488 242 HD2 TYR 62 HD2 TYR 62 10.413 -6.555 -33.358 243 HE1 TYR 62 HE1 TYR 62 9.670 -9.063 -37.601 244 HE2 TYR 62 HE2 TYR 62 11.474 -5.769 -35.474 245 HH TYR 62 HH TYR 62 11.093 -5.983 -37.917 246 H LEU 63 H LEU 63 6.591 -7.748 -31.243 247 HA LEU 63 HA LEU 63 5.210 -10.044 -29.933 248 1HB LEU 63 2HB LEU 63 7.790 -9.386 -29.337 249 2HB LEU 63 1HB LEU 63 6.920 -8.364 -28.193 250 HG LEU 63 HG LEU 63 7.402 -10.559 -27.192 251 1HD1 LEU 63 1HD1 LEU 63 5.075 -9.231 -27.042 252 2HD1 LEU 63 3HD1 LEU 63 4.477 -10.732 -27.748 253 3HD1 LEU 63 2HD1 LEU 63 5.332 -10.762 -26.205 254 1HD2 LEU 63 2HD2 LEU 63 7.120 -11.583 -29.669 255 2HD2 LEU 63 1HD2 LEU 63 6.929 -12.566 -28.216 256 3HD2 LEU 63 3HD2 LEU 63 5.508 -11.927 -29.043 257 H GLU 64 H GLU 64 3.357 -9.378 -28.886 258 HA GLU 64 HA GLU 64 2.249 -6.791 -29.245 259 1HB GLU 64 2HB GLU 64 1.690 -9.303 -27.877 260 2HB GLU 64 1HB GLU 64 1.098 -7.927 -26.948 261 1HG GLU 64 2HG GLU 64 -0.369 -7.252 -28.626 262 2HG GLU 64 1HG GLU 64 0.580 -8.015 -29.902 263 HA PRO 65 HA PRO 65 3.782 -4.187 -26.031 264 1HB PRO 65 2HB PRO 65 1.396 -3.910 -24.445 265 2HB PRO 65 1HB PRO 65 2.058 -2.776 -25.625 266 1HG PRO 65 2HG PRO 65 -0.279 -4.424 -25.881 267 2HG PRO 65 1HG PRO 65 0.379 -3.277 -27.052 268 1HD PRO 65 2HD PRO 65 0.399 -6.156 -27.227 269 2HD PRO 65 1HD PRO 65 1.113 -4.991 -28.369 270 H SER 66 H SER 66 4.087 -4.055 -23.557 271 HA SER 66 HA SER 66 4.621 -6.723 -22.519 272 1HB SER 66 2HB SER 66 5.993 -4.614 -22.220 273 2HB SER 66 1HB SER 66 4.737 -4.030 -21.133 274 HG SER 66 HG SER 66 6.480 -6.233 -20.855 275 H LYS 67 H LYS 67 2.636 -4.017 -21.227 276 HA LYS 67 HA LYS 67 0.838 -6.086 -20.005 277 1HB LYS 67 2HB LYS 67 1.887 -3.469 -18.883 278 2HB LYS 67 1HB LYS 67 0.680 -4.479 -18.084 279 1HG LYS 67 2HG LYS 67 2.657 -6.304 -18.661 280 2HG LYS 67 1HG LYS 67 3.591 -4.853 -18.295 281 1HD LYS 67 2HD LYS 67 3.316 -5.785 -16.170 282 2HD LYS 67 1HD LYS 67 1.961 -4.657 -16.244 283 1HE LYS 67 2HE LYS 67 0.384 -6.357 -16.528 284 2HE LYS 67 1HE LYS 67 1.576 -7.480 -17.217 285 1HZ LYS 67 2HZ LYS 67 1.729 -6.461 -14.435 286 2HZ LYS 67 1HZ LYS 67 0.958 -7.920 -14.837 287 3HZ LYS 67 3HZ LYS 67 2.619 -7.732 -15.125 288 H LYS 68 H LYS 68 -1.217 -5.861 -20.775 289 HA LYS 68 HA LYS 68 -2.046 -3.252 -21.967 290 1HB LYS 68 2HB LYS 68 -3.050 -6.109 -22.120 291 2HB LYS 68 1HB LYS 68 -3.893 -4.757 -22.876 292 1HG LYS 68 2HG LYS 68 -2.532 -5.552 -24.617 293 2HG LYS 68 1HG LYS 68 -1.577 -4.226 -23.953 294 1HD LYS 68 2HD LYS 68 0.062 -5.620 -23.263 295 2HD LYS 68 1HD LYS 68 -1.095 -6.752 -22.561 296 1HE LYS 68 2HE LYS 68 -1.488 -7.065 -25.300 297 2HE LYS 68 1HE LYS 68 0.271 -6.885 -25.145 298 1HZ LYS 68 1HZ LYS 68 0.204 -8.492 -23.306 299 2HZ LYS 68 3HZ LYS 68 -1.456 -8.724 -23.572 300 3HZ LYS 68 2HZ LYS 68 -0.335 -9.176 -24.765 301 H ILE 69 H ILE 69 -3.936 -2.186 -21.192 302 HA ILE 69 HA ILE 69 -4.632 -2.654 -18.414 303 HB ILE 69 HB ILE 69 -4.567 -0.460 -19.698 304 1HG1 ILE 69 2HG1 ILE 69 -6.567 0.452 -18.524 305 2HG1 ILE 69 1HG1 ILE 69 -7.093 -1.200 -18.202 306 1HG2 ILE 69 3HG2 ILE 69 -5.779 -1.217 -21.702 307 2HG2 ILE 69 2HG2 ILE 69 -7.229 -1.464 -20.733 308 3HG2 ILE 69 1HG2 ILE 69 -6.586 0.162 -20.958 309 1HD1 ILE 69 3HD1 ILE 69 -4.335 -0.906 -17.425 310 2HD1 ILE 69 2HD1 ILE 69 -5.297 0.361 -16.666 311 3HD1 ILE 69 1HD1 ILE 69 -5.722 -1.333 -16.424 312 H VAL 70 H VAL 70 -6.675 -3.370 -17.604 313 HA VAL 70 HA VAL 70 -8.666 -4.458 -19.493 314 HB VAL 70 HB VAL 70 -7.369 -6.226 -17.400 315 1HG1 VAL 70 1HG1 VAL 70 -9.296 -6.630 -19.691 316 2HG1 VAL 70 3HG1 VAL 70 -8.439 -7.977 -18.937 317 3HG1 VAL 70 2HG1 VAL 70 -9.549 -6.992 -17.982 318 1HG2 VAL 70 3HG2 VAL 70 -6.785 -6.003 -20.373 319 2HG2 VAL 70 2HG2 VAL 70 -5.650 -5.722 -19.051 320 3HG2 VAL 70 1HG2 VAL 70 -6.258 -7.348 -19.360 321 H VAL 71 H VAL 71 -10.074 -2.909 -18.483 322 HA VAL 71 HA VAL 71 -11.132 -3.795 -15.872 323 HB VAL 71 HB VAL 71 -9.936 -1.055 -16.393 324 1HG1 VAL 71 2HG1 VAL 71 -11.779 -2.098 -14.272 325 2HG1 VAL 71 1HG1 VAL 71 -10.539 -0.930 -13.814 326 3HG1 VAL 71 3HG1 VAL 71 -11.740 -0.510 -15.036 327 1HG2 VAL 71 1HG2 VAL 71 -9.197 -3.405 -14.640 328 2HG2 VAL 71 3HG2 VAL 71 -8.195 -2.572 -15.829 329 3HG2 VAL 71 2HG2 VAL 71 -8.605 -1.778 -14.308 330 H SER 72 H SER 72 -11.619 -0.541 -17.157 331 HA SER 72 HA SER 72 -14.271 -1.360 -18.264 332 1HB SER 72 2HB SER 72 -14.498 -0.738 -15.883 333 2HB SER 72 1HB SER 72 -13.708 0.803 -16.208 334 HG SER 72 HG SER 72 -15.706 1.411 -16.551 335 H THR 73 H THR 73 -14.801 -0.193 -20.101 336 HA THR 73 HA THR 73 -12.860 1.670 -21.238 337 HB THR 73 HB THR 73 -14.262 0.019 -22.508 338 HG1 THR 73 HG1 THR 73 -13.910 1.367 -24.050 339 1HG2 THR 73 2HG2 THR 73 -16.333 0.367 -21.134 340 2HG2 THR 73 1HG2 THR 73 -16.530 1.938 -21.912 341 3HG2 THR 73 3HG2 THR 73 -16.620 0.461 -22.871 342 H LYS 74 H LYS 74 -16.142 1.972 -19.835 343 HA LYS 74 HA LYS 74 -16.575 4.725 -20.324 344 1HB LYS 74 2HB LYS 74 -17.273 3.092 -17.869 345 2HB LYS 74 1HB LYS 74 -18.113 4.536 -18.426 346 1HG LYS 74 2HG LYS 74 -19.432 3.229 -19.696 347 2HG LYS 74 1HG LYS 74 -18.012 2.770 -20.637 348 1HD LYS 74 2HD LYS 74 -18.442 0.670 -19.892 349 2HD LYS 74 1HD LYS 74 -17.715 1.225 -18.383 350 1HE LYS 74 2HE LYS 74 -19.729 1.284 -17.296 351 2HE LYS 74 1HE LYS 74 -20.583 1.911 -18.720 352 1HZ LYS 74 1HZ LYS 74 -19.500 -0.844 -18.597 353 2HZ LYS 74 3HZ LYS 74 -21.080 -0.473 -18.103 354 3HZ LYS 74 2HZ LYS 74 -20.610 -0.205 -19.713 355 H TYR 75 H TYR 75 -14.488 3.096 -18.048 356 HA TYR 75 HA TYR 75 -13.948 5.382 -16.336 357 1HB TYR 75 2HB TYR 75 -13.631 3.189 -15.463 358 2HB TYR 75 1HB TYR 75 -12.745 2.661 -16.890 359 HD1 TYR 75 HD2 TYR 75 -12.232 5.868 -15.044 360 HD2 TYR 75 HD1 TYR 75 -10.698 1.917 -15.888 361 HE1 TYR 75 HE2 TYR 75 -10.083 6.460 -13.928 362 HE2 TYR 75 HE1 TYR 75 -8.558 2.512 -14.773 363 HH TYR 75 HH TYR 75 -7.759 5.751 -13.905 364 H LEU 76 H LEU 76 -12.139 3.743 -18.945 365 HA LEU 76 HA LEU 76 -9.985 5.658 -19.046 366 1HB LEU 76 2HB LEU 76 -9.530 3.519 -19.883 367 2HB LEU 76 1HB LEU 76 -11.095 3.387 -20.674 368 HG LEU 76 HG LEU 76 -10.407 4.822 -22.465 369 1HD1 LEU 76 3HD1 LEU 76 -8.546 5.806 -20.494 370 2HD1 LEU 76 2HD1 LEU 76 -7.659 5.328 -21.943 371 3HD1 LEU 76 1HD1 LEU 76 -8.963 6.509 -22.056 372 1HD2 LEU 76 3HD2 LEU 76 -8.836 2.493 -21.688 373 2HD2 LEU 76 2HD2 LEU 76 -9.459 2.939 -23.277 374 3HD2 LEU 76 1HD2 LEU 76 -7.914 3.582 -22.721 375 H GLN 77 H GLN 77 -13.128 5.396 -20.658 376 HA GLN 77 HA GLN 77 -12.641 7.521 -22.587 377 1HB GLN 77 2HB GLN 77 -14.537 5.515 -22.077 378 2HB GLN 77 1HB GLN 77 -15.419 7.027 -21.863 379 1HG GLN 77 2HG GLN 77 -13.704 7.211 -24.181 380 2HG GLN 77 1HG GLN 77 -14.735 5.786 -24.306 381 1HE2 GLN 77 2HE2 GLN 77 -16.407 9.514 -24.452 382 2HE2 GLN 77 1HE2 GLN 77 -14.776 9.328 -24.023 383 H GLN 78 H GLN 78 -14.450 7.300 -19.498 384 HA GLN 78 HA GLN 78 -15.370 9.971 -19.348 385 1HB GLN 78 2HB GLN 78 -16.044 8.177 -17.826 386 2HB GLN 78 1HB GLN 78 -14.397 8.050 -17.204 387 1HG GLN 78 2HG GLN 78 -14.544 10.041 -16.018 388 2HG GLN 78 1HG GLN 78 -15.775 10.709 -17.090 389 1HE2 GLN 78 2HE2 GLN 78 -18.495 9.236 -15.330 390 2HE2 GLN 78 1HE2 GLN 78 -18.018 9.996 -16.770 391 H LEU 79 H LEU 79 -12.215 8.569 -18.611 392 HA LEU 79 HA LEU 79 -11.008 10.806 -17.304 393 1HB LEU 79 2HB LEU 79 -10.336 8.259 -17.883 394 2HB LEU 79 1HB LEU 79 -9.443 9.082 -19.164 395 HG LEU 79 HG LEU 79 -8.386 10.546 -17.465 396 1HD1 LEU 79 2HD1 LEU 79 -10.471 9.434 -15.830 397 2HD1 LEU 79 1HD1 LEU 79 -8.910 9.048 -15.106 398 3HD1 LEU 79 3HD1 LEU 79 -9.338 10.726 -15.434 399 1HD2 LEU 79 2HD2 LEU 79 -7.716 7.993 -18.101 400 2HD2 LEU 79 1HD2 LEU 79 -6.753 9.004 -17.024 401 3HD2 LEU 79 3HD2 LEU 79 -7.892 7.838 -16.353 402 H GLN 80 H GLN 80 -11.163 9.847 -20.721 403 HA GLN 80 HA GLN 80 -9.562 11.896 -21.842 404 1HB GLN 80 2HB GLN 80 -11.449 9.848 -22.610 405 2HB GLN 80 1HB GLN 80 -11.691 11.288 -23.593 406 1HG GLN 80 2HG GLN 80 -9.707 11.028 -24.668 407 2HG GLN 80 1HG GLN 80 -8.863 10.591 -23.182 408 1HE2 GLN 80 2HE2 GLN 80 -10.148 7.094 -23.537 409 2HE2 GLN 80 1HE2 GLN 80 -10.320 8.315 -22.372 410 H LYS 81 H LYS 81 -13.152 11.829 -21.906 411 HA LYS 81 HA LYS 81 -13.579 14.501 -22.665 412 1HB LYS 81 2HB LYS 81 -15.033 12.269 -21.539 413 2HB LYS 81 1HB LYS 81 -15.595 13.774 -20.811 414 1HG LYS 81 2HG LYS 81 -15.198 14.094 -23.669 415 2HG LYS 81 1HG LYS 81 -16.311 12.767 -23.331 416 1HD LYS 81 2HD LYS 81 -17.167 14.671 -21.549 417 2HD LYS 81 1HD LYS 81 -16.664 15.664 -22.919 418 1HE LYS 81 2HE LYS 81 -18.160 14.543 -24.412 419 2HE LYS 81 1HE LYS 81 -18.457 13.239 -23.244 420 1HZ LYS 81 2HZ LYS 81 -19.287 14.978 -21.694 421 2HZ LYS 81 1HZ LYS 81 -19.202 16.100 -22.967 422 3HZ LYS 81 3HZ LYS 81 -20.255 14.775 -23.076 423 H ASP 82 H ASP 82 -13.122 13.188 -19.370 424 HA ASP 82 HA ASP 82 -13.629 15.525 -17.866 425 1HB ASP 82 2HB ASP 82 -13.030 13.108 -17.171 426 2HB ASP 82 1HB ASP 82 -11.349 13.601 -17.357 427 H LEU 83 H LEU 83 -10.718 14.532 -19.642 428 HA LEU 83 HA LEU 83 -9.045 16.730 -18.821 429 1HB LEU 83 2HB LEU 83 -8.437 14.478 -19.883 430 2HB LEU 83 1HB LEU 83 -8.957 15.174 -21.418 431 HG LEU 83 HG LEU 83 -7.073 16.794 -19.779 432 1HD1 LEU 83 2HD1 LEU 83 -6.201 14.443 -19.646 433 2HD1 LEU 83 1HD1 LEU 83 -6.156 14.409 -21.409 434 3HD1 LEU 83 3HD1 LEU 83 -5.135 15.540 -20.523 435 1HD2 LEU 83 1HD2 LEU 83 -7.712 16.269 -22.665 436 2HD2 LEU 83 3HD2 LEU 83 -7.583 17.809 -21.813 437 3HD2 LEU 83 2HD2 LEU 83 -6.125 16.915 -22.246 438 H ASN 84 H ASN 84 -11.201 16.181 -21.608 439 HA ASN 84 HA ASN 84 -10.632 18.590 -23.031 440 1HB ASN 84 2HB ASN 84 -12.260 16.354 -23.236 441 2HB ASN 84 1HB ASN 84 -13.416 17.672 -23.068 442 1HD2 ASN 84 2HD2 ASN 84 -10.780 18.085 -26.203 443 2HD2 ASN 84 1HD2 ASN 84 -10.195 17.585 -24.691 444 H ASP 85 H ASP 85 -12.748 17.866 -20.297 445 HA ASP 85 HA ASP 85 -14.123 20.422 -20.279 446 1HB ASP 85 2HB ASP 85 -14.598 18.062 -19.157 447 2HB ASP 85 1HB ASP 85 -13.644 18.735 -17.835 448 H LYS 86 H LYS 86 -11.013 19.303 -19.215 449 HA LYS 86 HA LYS 86 -10.551 21.539 -17.353 450 1HB LYS 86 2HB LYS 86 -8.797 19.399 -18.617 451 2HB LYS 86 1HB LYS 86 -8.227 20.542 -17.400 452 1HG LYS 86 2HG LYS 86 -10.538 18.619 -17.012 453 2HG LYS 86 1HG LYS 86 -8.905 18.367 -16.397 454 1HD LYS 86 2HD LYS 86 -9.230 20.740 -15.328 455 2HD LYS 86 1HD LYS 86 -10.948 20.405 -15.556 456 1HE LYS 86 2HE LYS 86 -9.036 18.531 -14.115 457 2HE LYS 86 1HE LYS 86 -10.122 19.674 -13.301 458 1HZ LYS 86 3HZ LYS 86 -10.996 17.631 -15.274 459 2HZ LYS 86 2HZ LYS 86 -11.132 17.458 -13.589 460 3HZ LYS 86 1HZ LYS 86 -12.000 18.677 -14.393 461 H THR 87 H THR 87 -10.100 20.706 -20.703 462 HA THR 87 HA THR 87 -8.316 22.936 -21.348 463 HB THR 87 HB THR 87 -9.901 20.824 -22.848 464 HG1 THR 87 HG1 THR 87 -7.978 20.234 -21.749 465 1HG2 THR 87 2HG2 THR 87 -8.936 23.328 -23.867 466 2HG2 THR 87 1HG2 THR 87 -7.988 22.015 -24.564 467 3HG2 THR 87 3HG2 THR 87 -9.743 22.023 -24.733 468 H GLU 88 H GLU 88 -11.763 22.093 -21.698 469 HA GLU 88 HA GLU 88 -12.602 24.467 -23.069 470 1HB GLU 88 2HB GLU 88 -13.935 22.483 -21.203 471 2HB GLU 88 1HB GLU 88 -14.833 23.771 -22.007 472 1HG GLU 88 2HG GLU 88 -13.286 22.595 -24.033 473 2HG GLU 88 1HG GLU 88 -13.907 21.241 -23.087 474 H GLU 89 H GLU 89 -12.120 23.642 -19.670 475 HA GLU 89 HA GLU 89 -13.227 26.087 -18.568 476 1HB GLU 89 2HB GLU 89 -11.776 23.675 -17.731 477 2HB GLU 89 1HB GLU 89 -11.319 25.104 -16.804 478 1HG GLU 89 2HG GLU 89 -13.959 25.472 -16.755 479 2HG GLU 89 1HG GLU 89 -13.962 23.721 -16.974 480 H ASN 90 H ASN 90 -9.901 24.953 -19.223 481 HA ASN 90 HA ASN 90 -8.478 27.292 -18.494 482 1HB ASN 90 2HB ASN 90 -8.122 24.830 -20.008 483 2HB ASN 90 1HB ASN 90 -7.246 26.160 -20.765 484 1HD2 ASN 90 2HD2 ASN 90 -5.516 24.459 -17.678 485 2HD2 ASN 90 1HD2 ASN 90 -6.600 23.724 -18.757 486 H ASN 91 H ASN 91 -10.453 26.538 -21.275 487 HA ASN 91 HA ASN 91 -9.542 28.707 -22.980 488 1HB ASN 91 2HB ASN 91 -11.537 26.543 -22.901 489 2HB ASN 91 1HB ASN 91 -12.099 27.973 -23.761 490 1HD2 ASN 91 2HD2 ASN 91 -9.071 25.720 -25.332 491 2HD2 ASN 91 1HD2 ASN 91 -9.625 25.427 -23.754 492 H ARG 92 H ARG 92 -12.103 28.263 -20.568 493 HA ARG 92 HA ARG 92 -13.358 30.857 -21.099 494 1HB ARG 92 2HB ARG 92 -14.321 28.634 -20.130 495 2HB ARG 92 1HB ARG 92 -13.627 29.189 -18.605 496 1HG ARG 92 2HG ARG 92 -15.468 30.448 -18.303 497 2HG ARG 92 1HG ARG 92 -14.954 31.426 -19.678 498 1HD ARG 92 2HD ARG 92 -16.062 29.298 -20.981 499 2HD ARG 92 1HD ARG 92 -17.084 29.373 -19.532 500 HE ARG 92 HE ARG 92 -16.561 31.776 -21.244 501 1HH1 ARG 92 1HH2 ARG 92 -17.954 31.779 -18.467 502 2HH1 ARG 92 2HH2 ARG 92 -19.611 31.897 -18.958 503 1HH2 ARG 92 2HH1 ARG 92 -18.968 31.054 -22.260 504 2HH2 ARG 92 1HH1 ARG 92 -20.184 31.486 -21.105 505 H LEU 93 H LEU 93 -11.481 29.492 -18.358 506 HA LEU 93 HA LEU 93 -11.207 31.793 -16.780 507 1HB LEU 93 2HB LEU 93 -9.917 29.222 -17.183 508 2HB LEU 93 1HB LEU 93 -8.727 30.449 -16.745 509 HG LEU 93 HG LEU 93 -11.319 30.140 -15.228 510 1HD1 LEU 93 1HD1 LEU 93 -9.913 28.001 -15.280 511 2HD1 LEU 93 3HD1 LEU 93 -8.668 28.919 -14.430 512 3HD1 LEU 93 2HD1 LEU 93 -10.246 28.670 -13.682 513 1HD2 LEU 93 1HD2 LEU 93 -9.817 32.221 -15.091 514 2HD2 LEU 93 3HD2 LEU 93 -10.212 31.435 -13.561 515 3HD2 LEU 93 2HD2 LEU 93 -8.632 31.178 -14.305 516 H LYS 94 H LYS 94 -9.615 30.954 -19.794 517 HA LYS 94 HA LYS 94 -7.585 33.041 -19.663 518 1HB LYS 94 2HB LYS 94 -7.318 30.965 -20.949 519 2HB LYS 94 1HB LYS 94 -8.738 31.361 -21.916 520 1HG LYS 94 2HG LYS 94 -7.351 33.608 -22.347 521 2HG LYS 94 1HG LYS 94 -5.994 32.532 -22.011 522 1HD LYS 94 2HD LYS 94 -6.630 31.036 -23.777 523 2HD LYS 94 1HD LYS 94 -8.178 31.856 -23.995 524 1HE LYS 94 2HE LYS 94 -5.948 33.725 -24.234 525 2HE LYS 94 1HE LYS 94 -5.837 32.406 -25.417 526 1HZ LYS 94 3HZ LYS 94 -8.352 33.875 -24.852 527 2HZ LYS 94 2HZ LYS 94 -7.290 34.312 -26.104 528 3HZ LYS 94 1HZ LYS 94 -8.051 32.793 -26.122 529 H ALA 95 H ALA 95 -10.842 32.703 -21.049 530 HA ALA 95 HA ALA 95 -10.673 35.431 -22.221 531 1HB ALA 95 2HB ALA 95 -12.179 32.959 -22.602 532 2HB ALA 95 1HB ALA 95 -13.237 34.371 -22.573 533 3HB ALA 95 3HB ALA 95 -11.912 34.285 -23.734 534 H LEU 96 H LEU 96 -11.613 33.996 -19.276 535 HA LEU 96 HA LEU 96 -13.756 35.951 -18.697 536 1HB LEU 96 2HB LEU 96 -13.490 33.401 -18.041 537 2HB LEU 96 1HB LEU 96 -12.517 34.054 -16.723 538 HG LEU 96 HG LEU 96 -14.468 35.626 -16.237 539 1HD1 LEU 96 3HD1 LEU 96 -15.566 33.957 -18.445 540 2HD1 LEU 96 2HD1 LEU 96 -16.654 34.304 -17.100 541 3HD1 LEU 96 1HD1 LEU 96 -15.927 35.628 -18.011 542 1HD2 LEU 96 3HD2 LEU 96 -13.974 33.621 -14.876 543 2HD2 LEU 96 2HD2 LEU 96 -15.713 33.883 -15.008 544 3HD2 LEU 96 1HD2 LEU 96 -14.932 32.636 -15.982 545 H LEU 97 H LEU 97 -10.333 35.538 -18.208 546 HA LEU 97 HA LEU 97 -10.307 37.701 -16.150 547 1HB LEU 97 2HB LEU 97 -8.147 35.772 -17.062 548 2HB LEU 97 1HB LEU 97 -8.079 36.823 -15.647 549 HG LEU 97 HG LEU 97 -10.070 34.578 -16.088 550 1HD1 LEU 97 1HD1 LEU 97 -7.542 34.858 -14.477 551 2HD1 LEU 97 3HD1 LEU 97 -8.820 33.767 -13.943 552 3HD1 LEU 97 2HD1 LEU 97 -8.053 33.525 -15.513 553 1HD2 LEU 97 3HD2 LEU 97 -9.955 36.863 -14.237 554 2HD2 LEU 97 2HD2 LEU 97 -11.315 35.817 -14.646 555 3HD2 LEU 97 1HD2 LEU 97 -10.146 35.307 -13.428 556 H LEU 98 H LEU 98 -8.998 36.773 -19.323 557 HA LEU 98 HA LEU 98 -7.334 39.139 -19.614 558 1HB LEU 98 2HB LEU 98 -8.514 37.218 -21.646 559 2HB LEU 98 1HB LEU 98 -7.147 38.297 -21.920 560 HG LEU 98 HG LEU 98 -7.240 36.114 -19.824 561 1HD1 LEU 98 1HD1 LEU 98 -7.076 35.586 -22.423 562 2HD1 LEU 98 3HD1 LEU 98 -5.405 36.096 -22.193 563 3HD1 LEU 98 2HD1 LEU 98 -6.047 34.740 -21.268 564 1HD2 LEU 98 1HD2 LEU 98 -5.552 38.420 -20.211 565 2HD2 LEU 98 3HD2 LEU 98 -5.478 37.203 -18.938 566 3HD2 LEU 98 2HD2 LEU 98 -4.603 36.953 -20.449 567 H GLU 99 H GLU 99 -10.687 38.412 -20.092 568 HA GLU 99 HA GLU 99 -11.144 40.779 -21.813 569 1HB GLU 99 2HB GLU 99 -12.207 38.400 -21.954 570 2HB GLU 99 1HB GLU 99 -13.231 38.955 -20.629 571 1HG GLU 99 2HG GLU 99 -14.159 40.708 -21.934 572 2HG GLU 99 1HG GLU 99 -12.899 40.568 -23.161 573 H ARG 100 HN ARG 100 -11.466 39.778 -18.472 574 HA ARG 100 HA ARG 100 -12.468 42.515 -17.802 575 1HB ARG 100 2HB ARG 100 -14.199 40.540 -17.954 576 2HB ARG 100 1HB ARG 100 -13.506 40.061 -16.405 577 1HG ARG 100 2HG ARG 100 -14.381 41.865 -15.300 578 2HG ARG 100 1HG ARG 100 -14.200 42.934 -16.691 579 1HD ARG 100 2HD ARG 100 -16.168 40.736 -17.036 580 2HD ARG 100 1HD ARG 100 -16.615 41.999 -15.872 581 HE ARG 100 HE ARG 100 -15.646 43.458 -17.989 582 1HH1 ARG 100 1HH2 ARG 100 -16.577 40.856 -19.445 583 2HH1 ARG 100 2HH2 ARG 100 -18.130 41.375 -20.011 584 1HH2 ARG 100 1HH1 ARG 100 -18.243 44.164 -17.954 585 2HH2 ARG 100 2HH1 ARG 100 -19.073 43.247 -19.168 586 1H MET 30 3H MET 30 -33.030 13.306 -23.581 587 2H MET 30 2H MET 30 -33.879 12.190 -24.540 588 3H MET 30 1H MET 30 -33.111 13.523 -25.261 589 HA MET 30 HA MET 30 -34.661 15.050 -24.371 590 1HB MET 30 2HB MET 30 -35.315 12.743 -25.943 591 2HB MET 30 1HB MET 30 -36.720 13.156 -24.959 592 1HG MET 30 2HG MET 30 -35.977 15.633 -25.776 593 2HG MET 30 1HG MET 30 -35.441 14.679 -27.159 594 1HE MET 30 2HE MET 30 -36.592 15.725 -28.601 595 2HE MET 30 1HE MET 30 -38.147 15.150 -29.195 596 3HE MET 30 3HE MET 30 -38.066 16.591 -28.173 597 H SER 31 H SER 31 -36.225 11.971 -23.493 598 HA SER 31 HA SER 31 -36.673 13.091 -20.744 599 1HB SER 31 2HB SER 31 -38.431 11.069 -22.122 600 2HB SER 31 1HB SER 31 -38.857 12.218 -20.858 601 HG SER 31 HG SER 31 -39.626 12.994 -22.805 602 H VAL 32 H VAL 32 -34.472 11.897 -20.439 603 HA VAL 32 HA VAL 32 -34.778 8.944 -20.226 604 HB VAL 32 HB VAL 32 -32.406 10.803 -19.851 605 1HG1 VAL 32 2HG1 VAL 32 -32.810 7.981 -19.344 606 2HG1 VAL 32 1HG1 VAL 32 -31.601 8.210 -20.608 607 3HG1 VAL 32 3HG1 VAL 32 -31.384 8.970 -19.031 608 1HG2 VAL 32 1HG2 VAL 32 -33.466 10.740 -22.158 609 2HG2 VAL 32 3HG2 VAL 32 -31.783 10.216 -22.103 610 3HG2 VAL 32 2HG2 VAL 32 -33.076 9.020 -22.210 611 H ALA 33 H ALA 33 -35.322 8.086 -18.263 612 HA ALA 33 HA ALA 33 -34.770 9.716 -15.804 613 1HB ALA 33 3HB ALA 33 -37.029 7.971 -16.734 614 2HB ALA 33 2HB ALA 33 -36.742 8.143 -15.003 615 3HB ALA 33 1HB ALA 33 -37.093 9.567 -15.984 616 H CYS 34 H CYS 34 -34.058 8.516 -13.923 617 HA CYS 34 HA CYS 34 -32.198 6.404 -14.418 618 1HB CYS 34 2HB CYS 34 -33.619 7.250 -11.875 619 2HB CYS 34 1HB CYS 34 -32.120 6.329 -11.951 620 H LEU 35 H LEU 35 -32.496 4.300 -12.890 621 HA LEU 35 HA LEU 35 -34.629 2.751 -14.063 622 1HB LEU 35 2HB LEU 35 -32.345 2.432 -12.230 623 2HB LEU 35 1HB LEU 35 -33.668 1.305 -11.935 624 HG LEU 35 HG LEU 35 -33.616 0.962 -14.529 625 1HD1 LEU 35 2HD1 LEU 35 -32.028 2.837 -14.926 626 2HD1 LEU 35 1HD1 LEU 35 -30.804 1.971 -13.998 627 3HD1 LEU 35 3HD1 LEU 35 -31.399 1.299 -15.516 628 1HD2 LEU 35 2HD2 LEU 35 -31.995 -0.173 -12.345 629 2HD2 LEU 35 1HD2 LEU 35 -32.986 -0.993 -13.551 630 3HD2 LEU 35 3HD2 LEU 35 -31.346 -0.486 -13.954 631 H SER 36 H SER 36 -34.088 4.121 -10.843 632 HA SER 36 HA SER 36 -36.485 3.078 -9.633 633 1HB SER 36 2HB SER 36 -34.261 4.830 -9.030 634 2HB SER 36 1HB SER 36 -35.761 5.542 -8.441 635 HG SER 36 HG SER 36 -35.007 2.842 -8.000 636 H CYS 37 H CYS 37 -35.706 6.218 -11.152 637 HA CYS 37 HA CYS 37 -38.289 7.411 -10.808 638 1HB CYS 37 2HB CYS 37 -36.203 7.826 -12.979 639 2HB CYS 37 1HB CYS 37 -37.444 8.981 -12.495 640 H ARG 38 H ARG 38 -37.022 5.077 -13.092 641 HA ARG 38 HA ARG 38 -39.137 5.420 -15.079 642 1HB ARG 38 2HB ARG 38 -36.750 4.534 -15.371 643 2HB ARG 38 1HB ARG 38 -37.318 3.043 -14.621 644 1HG ARG 38 2HG ARG 38 -37.456 2.848 -17.058 645 2HG ARG 38 1HG ARG 38 -39.079 2.861 -16.365 646 1HD ARG 38 2HD ARG 38 -39.570 4.965 -17.208 647 2HD ARG 38 1HD ARG 38 -37.874 5.488 -17.169 648 HE ARG 38 HE ARG 38 -38.931 3.512 -19.160 649 1HH1 ARG 38 1HH2 ARG 38 -36.234 3.200 -19.510 650 2HH1 ARG 38 2HH2 ARG 38 -35.673 4.557 -20.428 651 1HH2 ARG 38 2HH1 ARG 38 -38.467 6.499 -19.759 652 2HH2 ARG 38 1HH1 ARG 38 -36.937 6.426 -20.568 653 H LYS 39 H LYS 39 -38.500 3.216 -12.358 654 HA LYS 39 HA LYS 39 -40.625 1.371 -12.801 655 1HB LYS 39 2HB LYS 39 -38.791 1.021 -11.224 656 2HB LYS 39 1HB LYS 39 -39.307 2.412 -10.271 657 1HG LYS 39 2HG LYS 39 -41.365 0.327 -10.767 658 2HG LYS 39 1HG LYS 39 -40.049 -0.119 -9.681 659 1HD LYS 39 2HD LYS 39 -40.483 2.083 -8.464 660 2HD LYS 39 1HD LYS 39 -41.969 2.201 -9.407 661 1HE LYS 39 2HE LYS 39 -41.470 -0.395 -8.019 662 2HE LYS 39 1HE LYS 39 -41.931 0.991 -7.009 663 1HZ LYS 39 2HZ LYS 39 -43.690 1.432 -8.748 664 2HZ LYS 39 1HZ LYS 39 -43.378 -0.130 -9.339 665 3HZ LYS 39 3HZ LYS 39 -43.949 0.077 -7.756 666 H ARG 40 H ARG 40 -40.552 4.478 -11.050 667 HA ARG 40 HA ARG 40 -43.503 4.284 -10.618 668 1HB ARG 40 2HB ARG 40 -41.423 6.209 -9.535 669 2HB ARG 40 1HB ARG 40 -43.088 6.056 -8.973 670 1HG ARG 40 2HG ARG 40 -42.617 3.693 -8.349 671 2HG ARG 40 1HG ARG 40 -40.938 3.930 -8.829 672 1HD ARG 40 2HD ARG 40 -40.974 4.286 -6.455 673 2HD ARG 40 1HD ARG 40 -40.929 5.913 -7.164 674 HE ARG 40 HE ARG 40 -43.603 5.494 -7.045 675 1HH1 ARG 40 1HH2 ARG 40 -42.838 3.354 -4.957 676 2HH1 ARG 40 2HH2 ARG 40 -43.067 4.248 -3.492 677 1HH2 ARG 40 2HH1 ARG 40 -43.149 7.333 -5.074 678 2HH2 ARG 40 1HH1 ARG 40 -43.243 6.501 -3.557 679 H HIS 41 H HIS 41 -41.561 5.317 -13.019 680 HA HIS 41 HA HIS 41 -41.752 6.936 -14.711 681 1HB HIS 41 2HB HIS 41 -44.479 6.424 -13.599 682 2HB HIS 41 1HB HIS 41 -44.294 7.751 -14.742 683 HD1 HIS 41 HD1 HIS 41 -44.586 7.055 -17.111 684 HD2 HIS 41 HD2 HIS 41 -43.099 3.936 -14.778 685 HE1 HIS 41 HE1 HIS 41 -44.350 5.058 -18.651 686 H ILE 42 H ILE 42 -40.430 8.120 -12.778 687 HA ILE 42 HA ILE 42 -41.910 10.499 -11.789 688 HB ILE 42 HB ILE 42 -39.079 9.504 -11.325 689 1HG1 ILE 42 2HG1 ILE 42 -41.588 9.183 -9.649 690 2HG1 ILE 42 1HG1 ILE 42 -40.819 7.902 -10.583 691 1HG2 ILE 42 2HG2 ILE 42 -39.639 11.968 -10.889 692 2HG2 ILE 42 1HG2 ILE 42 -40.714 11.388 -9.616 693 3HG2 ILE 42 3HG2 ILE 42 -38.983 11.063 -9.525 694 1HD1 ILE 42 2HD1 ILE 42 -38.682 8.493 -9.236 695 2HD1 ILE 42 1HD1 ILE 42 -39.781 9.328 -8.138 696 3HD1 ILE 42 3HD1 ILE 42 -39.955 7.594 -8.408 697 H LYS 43 H LYS 43 -41.359 12.593 -12.434 698 HA LYS 43 HA LYS 43 -40.226 12.960 -15.061 699 1HB LYS 43 2HB LYS 43 -41.638 14.421 -13.039 700 2HB LYS 43 1HB LYS 43 -40.245 15.380 -13.538 701 1HG LYS 43 2HG LYS 43 -41.127 15.796 -15.580 702 2HG LYS 43 1HG LYS 43 -41.630 14.118 -15.792 703 1HD LYS 43 2HD LYS 43 -43.724 15.016 -15.601 704 2HD LYS 43 1HD LYS 43 -43.382 14.888 -13.875 705 1HE LYS 43 2HE LYS 43 -43.002 17.169 -13.642 706 2HE LYS 43 1HE LYS 43 -42.479 17.356 -15.329 707 1HZ LYS 43 3HZ LYS 43 -45.240 16.595 -14.551 708 2HZ LYS 43 2HZ LYS 43 -44.772 18.199 -14.854 709 3HZ LYS 43 1HZ LYS 43 -44.688 17.039 -16.092 710 H CYS 44 H CYS 44 -38.133 11.719 -14.382 711 HA CYS 44 HA CYS 44 -36.184 12.721 -12.629 712 1HB CYS 44 2HB CYS 44 -36.221 10.592 -14.006 713 2HB CYS 44 1HB CYS 44 -35.713 11.560 -15.389 714 HA PRO 45 HA PRO 45 -35.225 16.691 -14.458 715 1HB PRO 45 2HB PRO 45 -32.567 16.646 -13.360 716 2HB PRO 45 1HB PRO 45 -33.974 17.532 -12.766 717 1HG PRO 45 2HG PRO 45 -32.716 15.255 -11.576 718 2HG PRO 45 1HG PRO 45 -34.155 16.111 -11.014 719 1HD PRO 45 2HD PRO 45 -33.997 13.490 -12.236 720 2HD PRO 45 1HD PRO 45 -35.438 14.326 -11.609 721 H GLY 46 H GLY 46 -32.130 14.912 -14.291 722 1HA GLY 46 2HA GLY 46 -31.627 13.767 -16.621 723 2HA GLY 46 1HA GLY 46 -31.758 15.429 -17.193 724 H GLY 47 H GLY 47 -30.053 13.518 -14.706 725 1HA GLY 47 2HA GLY 47 -27.535 14.857 -15.456 726 2HA GLY 47 1HA GLY 47 -28.085 15.137 -13.803 727 H ASN 48 H ASN 48 -25.775 13.942 -13.746 728 HA ASN 48 HA ASN 48 -26.407 11.119 -13.051 729 1HB ASN 48 2HB ASN 48 -24.779 12.115 -15.287 730 2HB ASN 48 1HB ASN 48 -23.958 10.910 -14.293 731 1HD2 ASN 48 2HD2 ASN 48 -26.576 8.419 -14.936 732 2HD2 ASN 48 1HD2 ASN 48 -25.731 9.056 -13.607 733 HA PRO 49 HA PRO 49 -26.666 10.414 -11.245 734 1HB PRO 49 2HB PRO 49 -27.098 11.569 -8.653 735 2HB PRO 49 1HB PRO 49 -26.565 9.934 -9.029 736 1HG PRO 49 2HG PRO 49 -25.026 12.002 -7.844 737 2HG PRO 49 1HG PRO 49 -24.458 10.416 -8.370 738 1HD PRO 49 2HD PRO 49 -24.000 13.027 -9.611 739 2HD PRO 49 1HD PRO 49 -23.238 11.462 -9.992 740 H CYS 50 H CYS 50 -28.949 11.073 -11.144 741 HA CYS 50 HA CYS 50 -29.482 13.703 -12.208 742 1HB CYS 50 2HB CYS 50 -31.811 12.893 -12.110 743 2HB CYS 50 1HB CYS 50 -30.749 11.623 -12.710 744 H GLN 51 H GLN 51 -32.037 13.756 -10.355 745 HA GLN 51 HA GLN 51 -30.714 14.907 -7.930 746 1HB GLN 51 2HB GLN 51 -31.234 16.586 -9.771 747 2HB GLN 51 1HB GLN 51 -32.940 16.230 -9.500 748 1HG GLN 51 2HG GLN 51 -32.915 17.762 -7.849 749 2HG GLN 51 1HG GLN 51 -31.872 16.666 -6.940 750 1HE2 GLN 51 2HE2 GLN 51 -28.845 18.391 -8.080 751 2HE2 GLN 51 1HE2 GLN 51 -29.423 16.803 -7.917 752 H LYS 52 H LYS 52 -33.734 13.767 -9.445 753 HA LYS 52 HA LYS 52 -35.400 13.864 -7.134 754 1HB LYS 52 2HB LYS 52 -35.303 12.482 -9.768 755 2HB LYS 52 1HB LYS 52 -36.394 11.795 -8.562 756 1HG LYS 52 2HG LYS 52 -36.357 14.706 -9.416 757 2HG LYS 52 1HG LYS 52 -37.529 13.504 -9.961 758 1HD LYS 52 2HD LYS 52 -37.789 13.138 -7.319 759 2HD LYS 52 1HD LYS 52 -37.263 14.822 -7.299 760 1HE LYS 52 2HE LYS 52 -39.473 13.922 -9.155 761 2HE LYS 52 1HE LYS 52 -39.814 14.391 -7.477 762 1HZ LYS 52 2HZ LYS 52 -38.458 16.428 -7.921 763 2HZ LYS 52 1HZ LYS 52 -38.471 16.012 -9.569 764 3HZ LYS 52 3HZ LYS 52 -39.927 16.361 -8.772 765 H CYS 53 H CYS 53 -32.907 11.599 -8.082 766 HA CYS 53 HA CYS 53 -33.725 9.662 -5.973 767 1HB CYS 53 2HB CYS 53 -31.922 9.790 -8.340 768 2HB CYS 53 1HB CYS 53 -31.612 8.565 -7.119 769 H VAL 54 H VAL 54 -31.084 11.834 -6.920 770 HA VAL 54 HA VAL 54 -29.227 11.154 -4.866 771 HB VAL 54 HB VAL 54 -29.664 13.952 -5.950 772 1HG1 VAL 54 1HG1 VAL 54 -27.775 12.923 -4.260 773 2HG1 VAL 54 3HG1 VAL 54 -26.981 12.720 -5.824 774 3HG1 VAL 54 2HG1 VAL 54 -27.513 14.321 -5.302 775 1HG2 VAL 54 2HG2 VAL 54 -28.661 11.497 -7.382 776 2HG2 VAL 54 1HG2 VAL 54 -29.752 12.751 -7.971 777 3HG2 VAL 54 3HG2 VAL 54 -28.030 13.088 -7.803 778 H THR 55 H THR 55 -32.019 13.244 -5.023 779 HA THR 55 HA THR 55 -31.724 14.371 -2.360 780 HB THR 55 HB THR 55 -32.895 15.415 -4.309 781 HG1 THR 55 HG1 THR 55 -33.454 15.805 -2.026 782 1HG2 THR 55 3HG2 THR 55 -33.887 13.113 -4.964 783 2HG2 THR 55 2HG2 THR 55 -35.163 13.509 -3.816 784 3HG2 THR 55 1HG2 THR 55 -34.876 14.549 -5.211 785 H SER 56 H SER 56 -33.368 11.659 -3.868 786 HA SER 56 HA SER 56 -34.673 10.868 -1.315 787 1HB SER 56 2HB SER 56 -34.822 10.080 -4.220 788 2HB SER 56 1HB SER 56 -35.500 9.021 -2.985 789 HG SER 56 HG SER 56 -36.715 10.991 -4.051 790 H ASN 57 H ASN 57 -31.684 10.755 -1.952 791 HA ASN 57 HA ASN 57 -29.868 9.286 -1.801 792 1HB ASN 57 2HB ASN 57 -29.961 8.062 0.260 793 2HB ASN 57 1HB ASN 57 -30.906 9.528 0.482 794 1HD2 ASN 57 2HD2 ASN 57 -33.807 7.735 1.319 795 2HD2 ASN 57 1HD2 ASN 57 -32.945 9.197 1.375 796 H ALA 58 H ALA 58 -31.833 8.571 -3.796 797 HA ALA 58 HA ALA 58 -31.937 5.610 -3.767 798 1HB ALA 58 3HB ALA 58 -33.424 7.818 -4.817 799 2HB ALA 58 2HB ALA 58 -32.888 6.826 -6.178 800 3HB ALA 58 1HB ALA 58 -33.841 6.103 -4.881 801 H ILE 59 H ILE 59 -31.455 4.744 -6.189 802 HA ILE 59 HA ILE 59 -28.655 5.554 -6.768 803 HB ILE 59 HB ILE 59 -30.310 3.230 -7.780 804 1HG1 ILE 59 2HG1 ILE 59 -30.110 3.263 -5.296 805 2HG1 ILE 59 1HG1 ILE 59 -29.235 1.909 -6.014 806 1HG2 ILE 59 3HG2 ILE 59 -27.444 4.056 -7.992 807 2HG2 ILE 59 2HG2 ILE 59 -27.814 2.334 -7.885 808 3HG2 ILE 59 1HG2 ILE 59 -28.484 3.302 -9.199 809 1HD1 ILE 59 3HD1 ILE 59 -27.464 4.146 -5.941 810 2HD1 ILE 59 2HD1 ILE 59 -28.208 4.001 -4.348 811 3HD1 ILE 59 1HD1 ILE 59 -27.338 2.634 -5.043 812 H CYS 60 H CYS 60 -28.176 6.637 -8.598 813 HA CYS 60 HA CYS 60 -30.352 7.106 -10.594 814 1HB CYS 60 2HB CYS 60 -27.826 8.733 -10.251 815 2HB CYS 60 1HB CYS 60 -29.364 9.230 -10.938 816 H GLU 61 H GLU 61 -30.058 5.867 -12.421 817 HA GLU 61 HA GLU 61 -27.351 5.767 -13.641 818 1HB GLU 61 2HB GLU 61 -28.852 3.533 -12.363 819 2HB GLU 61 1HB GLU 61 -28.024 3.165 -13.876 820 1HG GLU 61 2HG GLU 61 -26.278 4.745 -12.235 821 2HG GLU 61 1HG GLU 61 -26.881 3.389 -11.281 822 H TYR 62 H TYR 62 -27.447 5.044 -15.896 823 HA TYR 62 HA TYR 62 -30.201 5.093 -17.080 824 1HB TYR 62 2HB TYR 62 -27.662 6.490 -17.981 825 2HB TYR 62 1HB TYR 62 -29.164 6.466 -18.905 826 HD1 TYR 62 HD1 TYR 62 -31.207 6.730 -16.775 827 HD2 TYR 62 HD2 TYR 62 -27.412 8.732 -17.260 828 HE1 TYR 62 HE1 TYR 62 -32.055 8.659 -15.446 829 HE2 TYR 62 HE2 TYR 62 -28.263 10.664 -15.933 830 HH TYR 62 HH TYR 62 -31.409 10.546 -14.316 831 H LEU 63 H LEU 63 -26.812 4.583 -18.115 832 HA LEU 63 HA LEU 63 -27.683 1.997 -19.363 833 1HB LEU 63 2HB LEU 63 -26.780 4.400 -20.562 834 2HB LEU 63 1HB LEU 63 -25.451 3.249 -20.701 835 HG LEU 63 HG LEU 63 -27.257 1.570 -21.495 836 1HD1 LEU 63 2HD1 LEU 63 -29.166 3.034 -20.804 837 2HD1 LEU 63 1HD1 LEU 63 -28.687 4.187 -22.050 838 3HD1 LEU 63 3HD1 LEU 63 -29.235 2.574 -22.505 839 1HD2 LEU 63 2HD2 LEU 63 -25.862 3.742 -22.892 840 2HD2 LEU 63 1HD2 LEU 63 -25.983 2.034 -23.314 841 3HD2 LEU 63 3HD2 LEU 63 -27.270 3.149 -23.773 842 H GLU 64 H GLU 64 -26.549 0.316 -18.486 843 HA GLU 64 HA GLU 64 -23.731 0.811 -17.592 844 1HB GLU 64 2HB GLU 64 -24.274 -0.610 -15.619 845 2HB GLU 64 1HB GLU 64 -25.276 0.840 -15.678 846 1HG GLU 64 2HG GLU 64 -26.436 -1.404 -17.163 847 2HG GLU 64 1HG GLU 64 -26.223 -1.752 -15.447 848 HA PRO 65 HA PRO 65 -24.355 -2.931 -20.436 849 1HB PRO 65 2HB PRO 65 -22.025 -2.035 -21.865 850 2HB PRO 65 1HB PRO 65 -23.688 -2.129 -22.448 851 1HG PRO 65 2HG PRO 65 -22.179 0.226 -21.828 852 2HG PRO 65 1HG PRO 65 -23.849 0.124 -22.392 853 1HD PRO 65 2HD PRO 65 -22.922 0.841 -19.743 854 2HD PRO 65 1HD PRO 65 -24.602 0.735 -20.327 855 H SER 66 H SER 66 -22.843 -4.761 -20.525 856 HA SER 66 HA SER 66 -20.842 -4.681 -18.327 857 1HB SER 66 2HB SER 66 -20.974 -7.171 -18.658 858 2HB SER 66 1HB SER 66 -22.535 -6.431 -18.313 859 HG SER 66 HG SER 66 -22.688 -7.838 -20.083 860 H LYS 67 H LYS 67 -19.555 -3.267 -20.051 861 HA LYS 67 HA LYS 67 -17.896 -5.145 -21.705 862 1HB LYS 67 2HB LYS 67 -18.765 -2.277 -22.193 863 2HB LYS 67 1HB LYS 67 -17.627 -3.154 -23.217 864 1HG LYS 67 2HG LYS 67 -19.728 -4.929 -23.025 865 2HG LYS 67 1HG LYS 67 -20.554 -3.370 -23.065 866 1HD LYS 67 2HD LYS 67 -20.329 -3.833 -25.342 867 2HD LYS 67 1HD LYS 67 -18.889 -2.860 -25.038 868 1HE LYS 67 2HE LYS 67 -17.456 -4.701 -25.143 869 2HE LYS 67 1HE LYS 67 -18.738 -5.848 -24.701 870 1HZ LYS 67 2HZ LYS 67 -18.788 -4.244 -27.196 871 2HZ LYS 67 1HZ LYS 67 -18.140 -5.814 -27.125 872 3HZ LYS 67 3HZ LYS 67 -19.783 -5.558 -26.787 873 H LYS 68 H LYS 68 -15.849 -5.265 -20.892 874 HA LYS 68 HA LYS 68 -14.819 -3.039 -19.195 875 1HB LYS 68 2HB LYS 68 -14.048 -5.934 -19.665 876 2HB LYS 68 1HB LYS 68 -13.105 -4.846 -18.645 877 1HG LYS 68 2HG LYS 68 -14.540 -5.882 -17.102 878 2HG LYS 68 1HG LYS 68 -15.380 -4.372 -17.458 879 1HD LYS 68 2HD LYS 68 -17.120 -5.451 -18.414 880 2HD LYS 68 1HD LYS 68 -16.053 -6.497 -19.353 881 1HE LYS 68 2HE LYS 68 -15.707 -7.419 -16.748 882 2HE LYS 68 1HE LYS 68 -17.444 -7.071 -16.844 883 1HZ LYS 68 1HZ LYS 68 -17.493 -8.246 -18.984 884 2HZ LYS 68 3HZ LYS 68 -15.858 -8.660 -18.793 885 3HZ LYS 68 2HZ LYS 68 -17.020 -9.268 -17.712 886 H ILE 69 H ILE 69 -12.847 -1.982 -19.745 887 HA ILE 69 HA ILE 69 -12.170 -1.899 -22.565 888 HB ILE 69 HB ILE 69 -12.068 -0.032 -20.844 889 1HG1 ILE 69 2HG1 ILE 69 -9.989 0.944 -21.813 890 2HG1 ILE 69 1HG1 ILE 69 -9.598 -0.638 -22.486 891 1HG2 ILE 69 2HG2 ILE 69 -9.505 -1.446 -20.071 892 2HG2 ILE 69 1HG2 ILE 69 -10.014 0.142 -19.498 893 3HG2 ILE 69 3HG2 ILE 69 -10.937 -1.292 -19.057 894 1HD1 ILE 69 3HD1 ILE 69 -12.317 0.039 -23.154 895 2HD1 ILE 69 2HD1 ILE 69 -11.247 1.357 -23.635 896 3HD1 ILE 69 1HD1 ILE 69 -10.961 -0.276 -24.238 897 H VAL 70 H VAL 70 -10.184 -2.585 -23.529 898 HA VAL 70 HA VAL 70 -8.302 -4.208 -21.934 899 HB VAL 70 HB VAL 70 -9.716 -5.378 -24.347 900 1HG1 VAL 70 1HG1 VAL 70 -7.847 -6.413 -22.211 901 2HG1 VAL 70 3HG1 VAL 70 -8.801 -7.497 -23.227 902 3HG1 VAL 70 2HG1 VAL 70 -7.609 -6.421 -23.960 903 1HG2 VAL 70 3HG2 VAL 70 -10.308 -5.751 -21.391 904 2HG2 VAL 70 2HG2 VAL 70 -11.405 -5.104 -22.611 905 3HG2 VAL 70 1HG2 VAL 70 -10.931 -6.802 -22.663 906 H VAL 71 H VAL 71 -6.766 -2.596 -22.605 907 HA VAL 71 HA VAL 71 -5.763 -2.985 -25.355 908 HB VAL 71 HB VAL 71 -6.737 -0.331 -24.251 909 1HG1 VAL 71 2HG1 VAL 71 -4.973 -1.046 -26.565 910 2HG1 VAL 71 1HG1 VAL 71 -6.108 0.290 -26.748 911 3HG1 VAL 71 3HG1 VAL 71 -4.885 0.340 -25.479 912 1HG2 VAL 71 1HG2 VAL 71 -7.653 -2.185 -26.455 913 2HG2 VAL 71 3HG2 VAL 71 -8.592 -1.548 -25.105 914 3HG2 VAL 71 2HG2 VAL 71 -8.110 -0.482 -26.425 915 H SER 72 H SER 72 -5.027 -0.131 -23.408 916 HA SER 72 HA SER 72 -2.458 -1.377 -22.528 917 1HB SER 72 2HB SER 72 -2.167 -0.280 -24.724 918 2HB SER 72 1HB SER 72 -2.833 1.214 -24.068 919 HG SER 72 HG SER 72 -0.795 1.572 -23.624 920 H THR 73 H THR 73 -1.848 -0.675 -20.490 921 HA THR 73 HA THR 73 -3.644 1.050 -18.961 922 HB THR 73 HB THR 73 -2.388 -0.943 -18.089 923 HG1 THR 73 HG1 THR 73 -2.640 0.068 -16.290 924 1HG2 THR 73 2HG2 THR 73 -0.285 -0.477 -19.373 925 2HG2 THR 73 1HG2 THR 73 0.030 0.872 -18.284 926 3HG2 THR 73 3HG2 THR 73 -0.005 -0.775 -17.659 927 H LYS 74 H LYS 74 -0.338 1.383 -20.300 928 HA LYS 74 HA LYS 74 0.311 3.923 -19.238 929 1HB LYS 74 2HB LYS 74 0.892 2.802 -21.993 930 2HB LYS 74 1HB LYS 74 1.842 4.021 -21.149 931 1HG LYS 74 2HG LYS 74 3.043 2.373 -20.201 932 2HG LYS 74 1HG LYS 74 1.584 1.838 -19.365 933 1HD LYS 74 2HD LYS 74 1.851 -0.082 -20.547 934 2HD LYS 74 1HD LYS 74 1.181 0.838 -21.894 935 1HE LYS 74 2HE LYS 74 3.199 0.969 -22.964 936 2HE LYS 74 1HE LYS 74 4.091 1.209 -21.449 937 1HZ LYS 74 1HZ LYS 74 2.795 -1.364 -22.145 938 2HZ LYS 74 3HZ LYS 74 4.402 -1.022 -22.565 939 3HZ LYS 74 2HZ LYS 74 3.944 -1.066 -20.930 940 H TYR 75 H TYR 75 -1.884 2.990 -21.788 941 HA TYR 75 HA TYR 75 -2.226 5.625 -22.967 942 1HB TYR 75 2HB TYR 75 -2.711 3.701 -24.285 943 2HB TYR 75 1HB TYR 75 -3.646 2.953 -22.995 944 HD1 TYR 75 HD2 TYR 75 -3.888 6.511 -24.107 945 HD2 TYR 75 HD1 TYR 75 -5.738 2.605 -24.114 946 HE1 TYR 75 HE2 TYR 75 -5.974 7.497 -25.052 947 HE2 TYR 75 HE1 TYR 75 -7.815 3.593 -25.056 948 HH TYR 75 HH TYR 75 -8.345 6.998 -25.205 949 H LEU 76 H LEU 76 -4.179 3.615 -20.750 950 HA LEU 76 HA LEU 76 -6.173 5.629 -20.220 951 1HB LEU 76 2HB LEU 76 -6.803 3.403 -19.856 952 2HB LEU 76 1HB LEU 76 -5.260 2.982 -19.127 953 HG LEU 76 HG LEU 76 -5.845 4.052 -17.064 954 1HD1 LEU 76 3HD1 LEU 76 -7.612 5.576 -18.762 955 2HD1 LEU 76 2HD1 LEU 76 -8.538 4.874 -17.436 956 3HD1 LEU 76 1HD1 LEU 76 -7.145 5.897 -17.093 957 1HD2 LEU 76 3HD2 LEU 76 -7.592 2.077 -18.306 958 2HD2 LEU 76 2HD2 LEU 76 -6.943 2.118 -16.667 959 3HD2 LEU 76 1HD2 LEU 76 -8.428 2.987 -17.051 960 H GLN 77 H GLN 77 -3.074 4.780 -18.735 961 HA GLN 77 HA GLN 77 -3.403 6.474 -16.391 962 1HB GLN 77 2HB GLN 77 -1.671 4.478 -17.336 963 2HB GLN 77 1HB GLN 77 -0.668 5.924 -17.230 964 1HG GLN 77 2HG GLN 77 -2.380 5.747 -14.911 965 2HG GLN 77 1HG GLN 77 -1.470 4.249 -15.103 966 1HE2 GLN 77 2HE2 GLN 77 0.500 7.711 -14.181 967 2HE2 GLN 77 1HE2 GLN 77 -1.138 7.754 -14.625 968 H GLN 78 H GLN 78 -1.600 6.775 -19.476 969 HA GLN 78 HA GLN 78 -0.464 9.334 -19.056 970 1HB GLN 78 2HB GLN 78 0.081 7.863 -20.934 971 2HB GLN 78 1HB GLN 78 -1.565 8.001 -21.553 972 1HG GLN 78 2HG GLN 78 -1.256 10.182 -22.286 973 2HG GLN 78 1HG GLN 78 0.016 10.506 -21.108 974 1HE2 GLN 78 2HE2 GLN 78 2.625 9.234 -23.168 975 2HE2 GLN 78 1HE2 GLN 78 2.198 9.701 -21.593 976 H LEU 79 H LEU 79 -3.715 8.379 -20.044 977 HA LEU 79 HA LEU 79 -4.728 10.933 -20.833 978 1HB LEU 79 2HB LEU 79 -5.606 8.383 -20.806 979 2HB LEU 79 1HB LEU 79 -6.440 8.981 -19.369 980 HG LEU 79 HG LEU 79 -7.364 10.853 -20.704 981 1HD1 LEU 79 2HD1 LEU 79 -5.363 9.955 -22.561 982 2HD1 LEU 79 1HD1 LEU 79 -6.944 9.860 -23.335 983 3HD1 LEU 79 3HD1 LEU 79 -6.385 11.389 -22.659 984 1HD2 LEU 79 2HD2 LEU 79 -8.242 8.288 -20.623 985 2HD2 LEU 79 1HD2 LEU 79 -9.112 9.577 -21.453 986 3HD2 LEU 79 3HD2 LEU 79 -8.063 8.494 -22.366 987 H GLN 80 H GLN 80 -4.681 9.255 -17.702 988 HA GLN 80 HA GLN 80 -6.116 11.139 -16.152 989 1HB GLN 80 2HB GLN 80 -4.404 8.829 -15.860 990 2HB GLN 80 1HB GLN 80 -4.055 10.002 -14.595 991 1HG GLN 80 2HG GLN 80 -6.059 9.676 -13.578 992 2HG GLN 80 1HG GLN 80 -6.927 9.636 -15.114 993 1HE2 GLN 80 2HE2 GLN 80 -5.931 6.054 -15.531 994 2HE2 GLN 80 1HE2 GLN 80 -5.656 7.481 -16.410 995 H LYS 81 H LYS 81 -2.545 10.773 -16.139 996 HA LYS 81 HA LYS 81 -1.910 13.179 -14.832 997 1HB LYS 81 2HB LYS 81 -0.631 11.129 -16.423 998 2HB LYS 81 1HB LYS 81 0.055 12.705 -16.818 999 1HG LYS 81 2HG LYS 81 -0.336 12.437 -13.954 1000 2HG LYS 81 1HG LYS 81 0.670 11.129 -14.579 1001 1HD LYS 81 2HD LYS 81 1.689 13.295 -15.921 1002 2HD LYS 81 1HD LYS 81 1.257 14.010 -14.366 1003 1HE LYS 81 2HE LYS 81 2.645 12.478 -13.160 1004 2HE LYS 81 1HE LYS 81 2.847 11.436 -14.583 1005 1HZ LYS 81 2HZ LYS 81 3.825 13.395 -15.733 1006 2HZ LYS 81 1HZ LYS 81 3.820 14.221 -14.248 1007 3HZ LYS 81 3HZ LYS 81 4.764 12.825 -14.436 1008 H ASP 82 H ASP 82 -2.450 12.641 -18.326 1009 HA ASP 82 HA ASP 82 -1.743 15.198 -19.297 1010 1HB ASP 82 2HB ASP 82 -2.525 13.043 -20.491 1011 2HB ASP 82 1HB ASP 82 -4.164 13.616 -20.189 1012 H LEU 83 H LEU 83 -4.736 14.083 -17.749 1013 HA LEU 83 HA LEU 83 -6.223 16.532 -18.065 1014 1HB LEU 83 2HB LEU 83 -7.017 14.161 -17.505 1015 2HB LEU 83 1HB LEU 83 -6.455 14.469 -15.861 1016 HG LEU 83 HG LEU 83 -8.190 16.547 -17.096 1017 1HD1 LEU 83 2HD1 LEU 83 -9.246 14.355 -17.721 1018 2HD1 LEU 83 1HD1 LEU 83 -9.312 13.952 -16.005 1019 3HD1 LEU 83 3HD1 LEU 83 -10.230 15.324 -16.624 1020 1HD2 LEU 83 1HD2 LEU 83 -7.617 15.367 -14.397 1021 2HD2 LEU 83 3HD2 LEU 83 -7.619 17.058 -14.895 1022 3HD2 LEU 83 2HD2 LEU 83 -9.146 16.210 -14.651 1023 H ASN 84 H ASN 84 -4.139 15.230 -15.481 1024 HA ASN 84 HA ASN 84 -4.524 17.315 -13.570 1025 1HB ASN 84 2HB ASN 84 -3.080 14.964 -13.867 1026 2HB ASN 84 1HB ASN 84 -1.822 16.191 -13.759 1027 1HD2 ASN 84 2HD2 ASN 84 -4.439 16.131 -10.581 1028 2HD2 ASN 84 1HD2 ASN 84 -5.051 16.018 -12.161 1029 H ASP 85 H ASP 85 -2.453 17.026 -16.417 1030 HA ASP 85 HA ASP 85 -0.876 19.408 -15.902 1031 1HB ASP 85 2HB ASP 85 -0.584 17.313 -17.506 1032 2HB ASP 85 1HB ASP 85 -1.471 18.327 -18.646 1033 H LYS 86 H LYS 86 -4.058 18.796 -17.150 1034 HA LYS 86 HA LYS 86 -4.325 21.408 -18.486 1035 1HB LYS 86 2HB LYS 86 -6.256 19.196 -17.690 1036 2HB LYS 86 1HB LYS 86 -6.722 20.615 -18.628 1037 1HG LYS 86 2HG LYS 86 -4.573 18.637 -19.443 1038 2HG LYS 86 1HG LYS 86 -6.217 18.658 -20.081 1039 1HD LYS 86 2HD LYS 86 -5.690 21.169 -20.621 1040 2HD LYS 86 1HD LYS 86 -4.008 20.654 -20.486 1041 1HE LYS 86 2HE LYS 86 -6.053 19.293 -22.275 1042 2HE LYS 86 1HE LYS 86 -4.873 20.493 -22.838 1043 1HZ LYS 86 3HZ LYS 86 -4.181 18.013 -21.357 1044 2HZ LYS 86 2HZ LYS 86 -4.049 18.193 -23.040 1045 3HZ LYS 86 1HZ LYS 86 -3.090 19.138 -22.004 1046 H THR 87 H THR 87 -4.867 19.916 -15.386 1047 HA THR 87 HA THR 87 -6.469 22.090 -14.261 1048 HB THR 87 HB THR 87 -5.072 19.587 -13.263 1049 HG1 THR 87 HG1 THR 87 -7.028 19.402 -14.443 1050 1HG2 THR 87 2HG2 THR 87 -5.840 21.885 -11.723 1051 2HG2 THR 87 1HG2 THR 87 -6.894 20.532 -11.313 1052 3HG2 THR 87 3HG2 THR 87 -5.145 20.364 -11.165 1053 H GLU 88 H GLU 88 -3.102 20.921 -14.136 1054 HA GLU 88 HA GLU 88 -2.087 22.873 -12.297 1055 1HB GLU 88 2HB GLU 88 -0.902 21.234 -14.557 1056 2HB GLU 88 1HB GLU 88 0.088 22.244 -13.503 1057 1HG GLU 88 2HG GLU 88 -1.565 20.786 -11.764 1058 2HG GLU 88 1HG GLU 88 -1.043 19.622 -12.984 1059 H GLU 89 H GLU 89 -2.611 22.834 -15.787 1060 HA GLU 89 HA GLU 89 -1.302 25.361 -16.353 1061 1HB GLU 89 2HB GLU 89 -2.934 23.306 -17.670 1062 2HB GLU 89 1HB GLU 89 -3.272 24.931 -18.267 1063 1HG GLU 89 2HG GLU 89 -0.610 25.093 -18.262 1064 2HG GLU 89 1HG GLU 89 -0.747 23.342 -18.423 1065 H ASN 90 H ASN 90 -4.713 24.382 -15.918 1066 HA ASN 90 HA ASN 90 -5.938 26.930 -16.118 1067 1HB ASN 90 2HB ASN 90 -6.504 24.239 -15.164 1068 2HB ASN 90 1HB ASN 90 -7.276 25.441 -14.132 1069 1HD2 ASN 90 2HD2 ASN 90 -9.113 24.586 -17.493 1070 2HD2 ASN 90 1HD2 ASN 90 -8.101 23.552 -16.607 1071 H ASN 91 H ASN 91 -4.047 25.446 -13.584 1072 HA ASN 91 HA ASN 91 -4.798 27.265 -11.445 1073 1HB ASN 91 2HB ASN 91 -2.982 25.015 -12.002 1074 2HB ASN 91 1HB ASN 91 -2.316 26.179 -10.861 1075 1HD2 ASN 91 2HD2 ASN 91 -5.525 23.892 -9.782 1076 2HD2 ASN 91 1HD2 ASN 91 -4.983 23.899 -11.391 1077 H ARG 92 H ARG 92 -2.265 27.144 -13.922 1078 HA ARG 92 HA ARG 92 -0.808 29.454 -12.860 1079 1HB ARG 92 2HB ARG 92 -0.021 27.421 -14.291 1080 2HB ARG 92 1HB ARG 92 -0.658 28.341 -15.655 1081 1HG ARG 92 2HG ARG 92 1.282 29.484 -15.701 1082 2HG ARG 92 1HG ARG 92 0.837 30.184 -14.145 1083 1HD ARG 92 2HD ARG 92 1.761 27.746 -13.336 1084 2HD ARG 92 1HD ARG 92 2.797 28.047 -14.746 1085 HE ARG 92 HE ARG 92 2.456 30.063 -12.554 1086 1HH1 ARG 92 1HH2 ARG 92 3.863 30.549 -15.282 1087 2HH1 ARG 92 2HH2 ARG 92 5.520 30.427 -14.794 1088 1HH2 ARG 92 1HH1 ARG 92 6.045 29.523 -12.790 1089 2HH2 ARG 92 2HH1 ARG 92 4.789 28.952 -11.742 1090 H LEU 93 H LEU 93 -2.770 28.863 -15.810 1091 HA LEU 93 HA LEU 93 -2.847 31.463 -16.857 1092 1HB LEU 93 2HB LEU 93 -4.343 28.977 -16.999 1093 2HB LEU 93 1HB LEU 93 -5.426 30.361 -17.153 1094 HG LEU 93 HG LEU 93 -2.856 30.175 -18.727 1095 1HD1 LEU 93 1HD1 LEU 93 -4.430 28.196 -19.119 1096 2HD1 LEU 93 3HD1 LEU 93 -5.591 29.369 -19.739 1097 3HD1 LEU 93 2HD1 LEU 93 -4.034 29.160 -20.541 1098 1HD2 LEU 93 1HD2 LEU 93 -4.182 32.352 -18.404 1099 2HD2 LEU 93 3HD2 LEU 93 -3.844 31.880 -20.069 1100 3HD2 LEU 93 2HD2 LEU 93 -5.444 31.599 -19.381 1101 H LYS 94 H LYS 94 -4.526 30.127 -14.077 1102 HA LYS 94 HA LYS 94 -6.380 32.349 -13.736 1103 1HB LYS 94 2HB LYS 94 -6.822 30.072 -12.924 1104 2HB LYS 94 1HB LYS 94 -5.382 30.136 -11.907 1105 1HG LYS 94 2HG LYS 94 -6.590 32.342 -10.994 1106 2HG LYS 94 1HG LYS 94 -8.025 31.474 -11.538 1107 1HD LYS 94 2HD LYS 94 -7.521 29.590 -10.138 1108 2HD LYS 94 1HD LYS 94 -5.917 30.219 -9.767 1109 1HE LYS 94 2HE LYS 94 -7.994 32.162 -9.109 1110 2HE LYS 94 1HE LYS 94 -8.215 30.633 -8.235 1111 1HZ LYS 94 3HZ LYS 94 -5.590 31.990 -8.499 1112 2HZ LYS 94 2HZ LYS 94 -6.622 32.229 -7.171 1113 3HZ LYS 94 1HZ LYS 94 -5.982 30.688 -7.487 1114 H ALA 95 H ALA 95 -3.169 31.464 -12.492 1115 HA ALA 95 HA ALA 95 -3.129 33.880 -10.759 1116 1HB ALA 95 2HB ALA 95 -1.829 31.273 -10.931 1117 2HB ALA 95 1HB ALA 95 -0.661 32.566 -10.668 1118 3HB ALA 95 3HB ALA 95 -1.997 32.342 -9.540 1119 H LEU 96 H LEU 96 -2.284 33.040 -13.951 1120 HA LEU 96 HA LEU 96 0.013 34.896 -14.121 1121 1HB LEU 96 2HB LEU 96 -0.452 32.576 -15.303 1122 2HB LEU 96 1HB LEU 96 -1.360 33.569 -16.443 1123 HG LEU 96 HG LEU 96 0.717 35.048 -16.600 1124 1HD1 LEU 96 3HD1 LEU 96 1.659 32.863 -14.812 1125 2HD1 LEU 96 2HD1 LEU 96 2.780 33.399 -16.064 1126 3HD1 LEU 96 1HD1 LEU 96 2.160 34.553 -14.883 1127 1HD2 LEU 96 3HD2 LEU 96 0.070 33.428 -18.355 1128 2HD2 LEU 96 2HD2 LEU 96 1.824 33.514 -18.188 1129 3HD2 LEU 96 1HD2 LEU 96 0.937 32.156 -17.495 1130 H LEU 97 H LEU 97 -3.429 34.871 -14.653 1131 HA LEU 97 HA LEU 97 -3.267 37.420 -16.200 1132 1HB LEU 97 2HB LEU 97 -5.581 35.519 -15.702 1133 2HB LEU 97 1HB LEU 97 -5.553 36.849 -16.858 1134 HG LEU 97 HG LEU 97 -3.752 34.410 -16.927 1135 1HD1 LEU 97 1HD1 LEU 97 -6.237 35.228 -18.414 1136 2HD1 LEU 97 3HD1 LEU 97 -5.048 34.178 -19.183 1137 3HD1 LEU 97 2HD1 LEU 97 -5.842 33.669 -17.694 1138 1HD2 LEU 97 3HD2 LEU 97 -3.668 37.039 -18.246 1139 2HD2 LEU 97 2HD2 LEU 97 -2.401 35.824 -18.084 1140 3HD2 LEU 97 1HD2 LEU 97 -3.599 35.682 -19.370 1141 H LEU 98 H LEU 98 -4.668 35.941 -13.285 1142 HA LEU 98 HA LEU 98 -6.140 38.316 -12.481 1143 1HB LEU 98 2HB LEU 98 -5.137 35.917 -10.916 1144 2HB LEU 98 1HB LEU 98 -6.415 37.020 -10.407 1145 HG LEU 98 HG LEU 98 -6.479 35.335 -12.920 1146 1HD1 LEU 98 1HD1 LEU 98 -6.703 34.276 -10.496 1147 2HD1 LEU 98 3HD1 LEU 98 -8.328 34.956 -10.591 1148 3HD1 LEU 98 2HD1 LEU 98 -7.790 33.783 -11.793 1149 1HD2 LEU 98 1HD2 LEU 98 -7.983 37.629 -12.029 1150 2HD2 LEU 98 3HD2 LEU 98 -8.143 36.726 -13.535 1151 3HD2 LEU 98 2HD2 LEU 98 -9.047 36.224 -12.107 1152 H GLU 99 H GLU 99 -2.860 37.238 -12.200 1153 HA GLU 99 HA GLU 99 -2.228 39.137 -10.018 1154 1HB GLU 99 2HB GLU 99 -1.359 36.706 -10.402 1155 2HB GLU 99 1HB GLU 99 -0.284 37.451 -11.586 1156 1HG GLU 99 2HG GLU 99 0.770 38.803 -9.945 1157 2HG GLU 99 1HG GLU 99 -0.505 38.503 -8.764 1158 H ARG 100 HN ARG 100 -1.962 38.852 -13.500 1159 HA ARG 100 HA ARG 100 -0.740 41.581 -13.578 1160 1HB ARG 100 2HB ARG 100 0.826 39.487 -13.869 1161 2HB ARG 100 1HB ARG 100 0.108 39.408 -15.479 1162 1HG ARG 100 2HG ARG 100 1.134 41.332 -16.180 1163 2HG ARG 100 1HG ARG 100 1.029 42.088 -14.590 1164 1HD ARG 100 2HD ARG 100 2.811 39.717 -14.744 1165 2HD ARG 100 1HD ARG 100 3.367 41.160 -15.615 1166 HE ARG 100 HE ARG 100 2.504 42.204 -13.225 1167 1HH1 ARG 100 1HH2 ARG 100 3.213 39.286 -12.369 1168 2HH1 ARG 100 2HH2 ARG 100 4.798 39.546 -11.721 1169 1HH2 ARG 100 1HH1 ARG 100 5.149 42.692 -13.135 1170 2HH2 ARG 100 2HH1 ARG 100 5.894 41.473 -12.155 No H/Q in entry = 1170 Start of MODEL 4 1 1H MET 30 3H MET 30 10.679 -3.447 -3.172 2 2H MET 30 2H MET 30 10.683 -5.008 -2.500 3 3H MET 30 1H MET 30 10.434 -4.798 -4.168 4 HA MET 30 HA MET 30 8.316 -5.256 -3.161 5 1HB MET 30 2HB MET 30 9.437 -3.216 -1.260 6 2HB MET 30 1HB MET 30 7.689 -3.416 -1.376 7 1HG MET 30 2HG MET 30 8.035 -5.891 -1.010 8 2HG MET 30 1HG MET 30 9.729 -5.539 -0.669 9 1HE MET 30 1HE MET 30 7.132 -6.772 0.679 10 2HE MET 30 3HE MET 30 6.810 -6.131 2.297 11 3HE MET 30 2HE MET 30 6.011 -5.430 0.891 12 H SER 31 H SER 31 9.292 -3.801 -5.446 13 HA SER 31 HA SER 31 7.063 -1.849 -5.751 14 1HB SER 31 2HB SER 31 9.538 -0.999 -5.057 15 2HB SER 31 1HB SER 31 9.727 -1.048 -6.808 16 HG SER 31 HG SER 31 7.830 0.243 -6.944 17 H VAL 32 H VAL 32 6.719 -4.148 -6.961 18 HA VAL 32 HA VAL 32 6.517 -5.240 -9.047 19 HB VAL 32 HB VAL 32 7.109 -2.410 -9.976 20 1HG1 VAL 32 2HG1 VAL 32 5.948 -4.863 -11.271 21 2HG1 VAL 32 1HG1 VAL 32 5.423 -3.265 -11.798 22 3HG1 VAL 32 3HG1 VAL 32 7.123 -3.716 -11.917 23 1HG2 VAL 32 1HG2 VAL 32 5.277 -2.639 -8.249 24 2HG2 VAL 32 3HG2 VAL 32 4.726 -2.020 -9.807 25 3HG2 VAL 32 2HG2 VAL 32 4.432 -3.704 -9.373 26 H ALA 33 H ALA 33 8.552 -6.439 -8.686 27 HA ALA 33 HA ALA 33 10.885 -5.361 -10.232 28 1HB ALA 33 2HB ALA 33 10.696 -6.231 -7.639 29 2HB ALA 33 1HB ALA 33 11.208 -7.707 -8.458 30 3HB ALA 33 3HB ALA 33 12.190 -6.247 -8.576 31 H CYS 34 H CYS 34 12.099 -7.028 -11.500 32 HA CYS 34 HA CYS 34 10.288 -8.696 -13.032 33 1HB CYS 34 2HB CYS 34 12.025 -8.691 -14.529 34 2HB CYS 34 1HB CYS 34 12.582 -7.366 -13.526 35 H LEU 35 H LEU 35 10.964 -11.084 -13.445 36 HA LEU 35 HA LEU 35 10.460 -12.672 -11.220 37 1HB LEU 35 2HB LEU 35 11.543 -12.965 -13.932 38 2HB LEU 35 1HB LEU 35 12.004 -14.265 -12.838 39 HG LEU 35 HG LEU 35 9.879 -14.784 -13.985 40 1HD1 LEU 35 2HD1 LEU 35 10.434 -15.194 -11.395 41 2HD1 LEU 35 1HD1 LEU 35 9.017 -14.164 -11.196 42 3HD1 LEU 35 3HD1 LEU 35 8.890 -15.672 -12.101 43 1HD2 LEU 35 1HD2 LEU 35 9.220 -12.340 -14.199 44 2HD2 LEU 35 3HD2 LEU 35 7.921 -13.414 -13.678 45 3HD2 LEU 35 2HD2 LEU 35 8.749 -12.395 -12.501 46 H SER 36 H SER 36 13.692 -12.453 -12.690 47 HA SER 36 HA SER 36 15.202 -13.729 -10.736 48 1HB SER 36 2HB SER 36 15.702 -12.415 -13.024 49 2HB SER 36 1HB SER 36 16.262 -11.190 -11.889 50 HG SER 36 HG SER 36 17.998 -12.458 -12.157 51 H CYS 37 H CYS 37 14.522 -10.205 -10.815 52 HA CYS 37 HA CYS 37 15.748 -9.602 -8.304 53 1HB CYS 37 2HB CYS 37 13.427 -8.263 -9.734 54 2HB CYS 37 1HB CYS 37 14.481 -7.509 -8.540 55 H ARG 38 H ARG 38 12.665 -11.029 -9.122 56 HA ARG 38 HA ARG 38 11.349 -10.429 -6.590 57 1HB ARG 38 2HB ARG 38 10.532 -11.153 -9.046 58 2HB ARG 38 1HB ARG 38 10.583 -12.751 -8.303 59 1HG ARG 38 2HG ARG 38 8.357 -11.747 -8.018 60 2HG ARG 38 1HG ARG 38 9.155 -11.928 -6.456 61 1HD ARG 38 2HD ARG 38 9.509 -9.633 -6.218 62 2HD ARG 38 1HD ARG 38 9.478 -9.346 -7.969 63 HE ARG 38 HE ARG 38 6.971 -10.132 -7.705 64 1HH1 ARG 38 2HH1 ARG 38 8.696 -7.608 -6.288 65 2HH1 ARG 38 1HH1 ARG 38 7.419 -7.098 -5.235 66 1HH2 ARG 38 1HH2 ARG 38 5.368 -9.791 -5.987 67 2HH2 ARG 38 2HH2 ARG 38 5.534 -8.335 -5.065 68 H LYS 39 H LYS 39 13.101 -13.225 -7.943 69 HA LYS 39 HA LYS 39 12.640 -15.044 -5.785 70 1HB LYS 39 2HB LYS 39 13.496 -15.688 -7.984 71 2HB LYS 39 1HB LYS 39 14.943 -14.710 -7.733 72 1HG LYS 39 2HG LYS 39 14.345 -16.718 -5.629 73 2HG LYS 39 1HG LYS 39 14.855 -17.357 -7.192 74 1HD LYS 39 2HD LYS 39 16.781 -15.681 -7.094 75 2HD LYS 39 1HD LYS 39 16.344 -15.427 -5.404 76 1HE LYS 39 2HE LYS 39 18.101 -17.138 -5.529 77 2HE LYS 39 1HE LYS 39 16.584 -17.916 -5.040 78 1HZ LYS 39 1HZ LYS 39 17.256 -17.623 -7.897 79 2HZ LYS 39 3HZ LYS 39 17.901 -18.913 -7.005 80 3HZ LYS 39 2HZ LYS 39 16.217 -18.743 -7.153 81 H ARG 40 H ARG 40 15.173 -12.599 -6.326 82 HA ARG 40 HA ARG 40 16.281 -13.173 -3.608 83 1HB ARG 40 2HB ARG 40 17.346 -11.521 -5.919 84 2HB ARG 40 1HB ARG 40 18.242 -11.973 -4.468 85 1HG ARG 40 2HG ARG 40 17.933 -14.367 -5.072 86 2HG ARG 40 1HG ARG 40 17.134 -13.858 -6.560 87 1HD ARG 40 2HD ARG 40 19.115 -13.366 -7.574 88 2HD ARG 40 1HD ARG 40 19.741 -12.553 -6.126 89 HE ARG 40 HE ARG 40 19.551 -15.527 -6.131 90 1HH1 ARG 40 1HH2 ARG 40 20.944 -13.319 -4.281 91 2HH1 ARG 40 2HH2 ARG 40 22.596 -13.756 -4.563 92 1HH2 ARG 40 2HH1 ARG 40 21.871 -15.796 -7.272 93 2HH2 ARG 40 1HH1 ARG 40 23.121 -15.158 -6.256 94 H HIS 41 H HIS 41 13.975 -11.215 -4.918 95 HA HIS 41 HA HIS 41 13.033 -9.152 -4.280 96 1HB HIS 41 2HB HIS 41 14.692 -9.764 -1.810 97 2HB HIS 41 1HB HIS 41 13.299 -8.688 -1.882 98 HD1 HIS 41 HD1 HIS 41 13.832 -11.712 -0.471 99 HD2 HIS 41 HD2 HIS 41 11.183 -10.605 -3.494 100 HE1 HIS 41 HE1 HIS 41 11.999 -13.459 -0.492 101 H ILE 42 H ILE 42 14.880 -8.537 -6.014 102 HA ILE 42 HA ILE 42 16.954 -6.799 -4.776 103 HB ILE 42 HB ILE 42 16.448 -7.607 -7.659 104 1HG1 ILE 42 2HG1 ILE 42 18.367 -8.801 -5.631 105 2HG1 ILE 42 1HG1 ILE 42 16.850 -9.548 -6.131 106 1HG2 ILE 42 2HG2 ILE 42 18.685 -6.206 -6.204 107 2HG2 ILE 42 1HG2 ILE 42 19.003 -7.103 -7.689 108 3HG2 ILE 42 3HG2 ILE 42 17.882 -5.741 -7.704 109 1HD1 ILE 42 1HD1 ILE 42 17.840 -9.193 -8.558 110 2HD1 ILE 42 3HD1 ILE 42 19.377 -9.165 -7.695 111 3HD1 ILE 42 2HD1 ILE 42 18.334 -10.582 -7.590 112 H LYS 43 H LYS 43 17.251 -4.619 -5.822 113 HA LYS 43 HA LYS 43 14.669 -3.227 -6.017 114 1HB LYS 43 2HB LYS 43 17.562 -2.594 -5.692 115 2HB LYS 43 1HB LYS 43 16.556 -1.336 -6.410 116 1HG LYS 43 2HG LYS 43 16.037 -0.783 -4.275 117 2HG LYS 43 1HG LYS 43 14.993 -2.205 -4.312 118 1HD LYS 43 2HD LYS 43 16.490 -3.507 -3.117 119 2HD LYS 43 1HD LYS 43 17.891 -2.594 -3.677 120 1HE LYS 43 2HE LYS 43 17.536 -0.853 -2.124 121 2HE LYS 43 1HE LYS 43 15.838 -1.306 -1.872 122 1HZ LYS 43 1HZ LYS 43 16.731 -3.509 -1.071 123 2HZ LYS 43 3HZ LYS 43 18.262 -2.780 -1.013 124 3HZ LYS 43 2HZ LYS 43 17.002 -2.185 -0.040 125 H CYS 44 H CYS 44 14.016 -4.264 -8.108 126 HA CYS 44 HA CYS 44 15.532 -3.980 -10.521 127 1HB CYS 44 2HB CYS 44 13.506 -5.457 -9.932 128 2HB CYS 44 1HB CYS 44 12.519 -4.036 -10.273 129 HA PRO 45 HA PRO 45 15.002 0.420 -11.149 130 1HB PRO 45 2HB PRO 45 15.297 0.129 -13.995 131 2HB PRO 45 1HB PRO 45 16.501 0.682 -12.828 132 1HG PRO 45 2HG PRO 45 16.470 -1.794 -14.254 133 2HG PRO 45 1HG PRO 45 17.632 -1.267 -13.032 134 1HD PRO 45 2HD PRO 45 15.557 -3.281 -12.787 135 2HD PRO 45 1HD PRO 45 16.792 -2.818 -11.591 136 H GLY 46 H GLY 46 13.756 -1.132 -14.114 137 1HA GLY 46 2HA GLY 46 11.101 -1.349 -13.886 138 2HA GLY 46 1HA GLY 46 11.246 0.408 -13.809 139 H GLY 47 H GLY 47 11.494 -2.392 -15.882 140 1HA GLY 47 2HA GLY 47 10.927 -0.921 -18.251 141 2HA GLY 47 1HA GLY 47 12.672 -1.179 -18.172 142 H ASN 48 H ASN 48 12.046 -2.457 -20.218 143 HA ASN 48 HA ASN 48 11.817 -5.309 -19.458 144 1HB ASN 48 2HB ASN 48 9.720 -3.658 -20.700 145 2HB ASN 48 1HB ASN 48 10.050 -5.161 -21.563 146 1HD2 ASN 48 2HD2 ASN 48 9.252 -7.164 -18.578 147 2HD2 ASN 48 1HD2 ASN 48 10.510 -7.050 -19.713 148 HA PRO 49 HA PRO 49 13.244 -6.661 -19.559 149 1HB PRO 49 2HB PRO 49 16.104 -6.528 -19.802 150 2HB PRO 49 1HB PRO 49 15.063 -7.913 -20.110 151 1HG PRO 49 2HG PRO 49 16.509 -6.407 -22.029 152 2HG PRO 49 1HG PRO 49 15.330 -7.684 -22.345 153 1HD PRO 49 2HD PRO 49 15.037 -4.795 -22.708 154 2HD PRO 49 1HD PRO 49 13.959 -6.104 -23.253 155 H CYS 50 H CYS 50 14.238 -6.134 -17.410 156 HA CYS 50 HA CYS 50 14.234 -3.311 -16.828 157 1HB CYS 50 2HB CYS 50 14.795 -4.093 -14.570 158 2HB CYS 50 1HB CYS 50 13.586 -5.158 -15.277 159 H GLN 51 H GLN 51 16.700 -3.680 -14.975 160 HA GLN 51 HA GLN 51 18.820 -3.453 -17.074 161 1HB GLN 51 2HB GLN 51 17.762 -1.249 -16.317 162 2HB GLN 51 1HB GLN 51 18.501 -1.551 -14.744 163 1HG GLN 51 2HG GLN 51 20.079 -0.209 -15.905 164 2HG GLN 51 1HG GLN 51 20.709 -1.853 -16.023 165 1HE2 GLN 51 2HE2 GLN 51 20.426 -1.982 -19.538 166 2HE2 GLN 51 1HE2 GLN 51 20.903 -2.776 -18.115 167 H LYS 52 H LYS 52 18.118 -3.722 -13.580 168 HA LYS 52 HA LYS 52 20.712 -4.263 -12.621 169 1HB LYS 52 2HB LYS 52 17.910 -5.013 -11.863 170 2HB LYS 52 1HB LYS 52 19.250 -5.740 -10.971 171 1HG LYS 52 2HG LYS 52 19.143 -2.763 -11.435 172 2HG LYS 52 1HG LYS 52 18.275 -3.501 -10.088 173 1HD LYS 52 2HD LYS 52 20.179 -3.866 -8.921 174 2HD LYS 52 1HD LYS 52 21.031 -4.470 -10.343 175 1HE LYS 52 2HE LYS 52 22.196 -2.473 -9.823 176 2HE LYS 52 1HE LYS 52 21.059 -1.950 -11.081 177 1HZ LYS 52 1HZ LYS 52 19.464 -1.405 -9.312 178 2HZ LYS 52 3HZ LYS 52 20.631 -1.793 -8.143 179 3HZ LYS 52 2HZ LYS 52 20.885 -0.481 -9.193 180 H CYS 53 H CYS 53 18.544 -6.333 -14.432 181 HA CYS 53 HA CYS 53 20.269 -8.712 -13.969 182 1HB CYS 53 2HB CYS 53 17.567 -8.047 -15.013 183 2HB CYS 53 1HB CYS 53 18.304 -9.550 -15.552 184 H VAL 54 H VAL 54 19.120 -6.549 -16.538 185 HA VAL 54 HA VAL 54 20.357 -7.909 -18.731 186 HB VAL 54 HB VAL 54 20.011 -4.904 -18.528 187 1HG1 VAL 54 3HG1 VAL 54 20.783 -6.574 -20.583 188 2HG1 VAL 54 2HG1 VAL 54 19.053 -6.379 -20.883 189 3HG1 VAL 54 1HG1 VAL 54 20.101 -4.960 -20.793 190 1HG2 VAL 54 3HG2 VAL 54 17.874 -7.029 -18.717 191 2HG2 VAL 54 2HG2 VAL 54 17.914 -5.607 -17.674 192 3HG2 VAL 54 1HG2 VAL 54 17.629 -5.424 -19.402 193 H THR 55 H THR 55 21.450 -5.638 -16.323 194 HA THR 55 HA THR 55 24.025 -5.079 -17.544 195 HB THR 55 HB THR 55 22.727 -3.598 -16.003 196 HG1 THR 55 HG1 THR 55 24.601 -3.193 -14.593 197 1HG2 THR 55 1HG2 THR 55 22.094 -5.633 -14.545 198 2HG2 THR 55 3HG2 THR 55 23.645 -5.365 -13.754 199 3HG2 THR 55 2HG2 THR 55 22.412 -4.102 -13.734 200 H SER 56 H SER 56 22.776 -7.312 -15.083 201 HA SER 56 HA SER 56 25.469 -8.308 -14.429 202 1HB SER 56 2HB SER 56 22.658 -8.635 -13.516 203 2HB SER 56 1HB SER 56 23.711 -10.025 -13.269 204 HG SER 56 HG SER 56 23.722 -7.535 -12.082 205 H ASN 57 H ASN 57 22.674 -10.365 -15.076 206 HA ASN 57 HA ASN 57 23.260 -11.295 -17.647 207 1HB ASN 57 2HB ASN 57 24.466 -13.461 -16.953 208 2HB ASN 57 1HB ASN 57 25.421 -11.988 -16.938 209 1HD2 ASN 57 2HD2 ASN 57 26.006 -12.105 -13.454 210 2HD2 ASN 57 1HD2 ASN 57 26.284 -11.291 -14.918 211 H ALA 58 H ALA 58 21.027 -10.933 -15.941 212 HA ALA 58 HA ALA 58 20.009 -13.745 -15.653 213 1HB ALA 58 2HB ALA 58 20.086 -11.435 -13.915 214 2HB ALA 58 1HB ALA 58 18.414 -11.931 -14.184 215 3HB ALA 58 3HB ALA 58 19.583 -13.083 -13.538 216 H ILE 59 H ILE 59 17.625 -13.944 -16.047 217 HA ILE 59 HA ILE 59 16.841 -12.461 -18.460 218 HB ILE 59 HB ILE 59 15.392 -14.606 -16.883 219 1HG1 ILE 59 2HG1 ILE 59 17.360 -14.874 -19.181 220 2HG1 ILE 59 1HG1 ILE 59 17.652 -15.371 -17.513 221 1HG2 ILE 59 1HG2 ILE 59 14.603 -13.044 -19.068 222 2HG2 ILE 59 3HG2 ILE 59 15.082 -14.587 -19.773 223 3HG2 ILE 59 2HG2 ILE 59 13.843 -14.538 -18.518 224 1HD1 ILE 59 1HD1 ILE 59 15.481 -16.472 -19.322 225 2HD1 ILE 59 3HD1 ILE 59 16.980 -17.299 -18.902 226 3HD1 ILE 59 2HD1 ILE 59 15.776 -16.967 -17.656 227 H CYS 60 H CYS 60 15.269 -10.917 -18.493 228 HA CYS 60 HA CYS 60 14.038 -10.137 -15.882 229 1HB CYS 60 2HB CYS 60 14.294 -8.379 -18.325 230 2HB CYS 60 1HB CYS 60 14.208 -7.905 -16.636 231 H GLU 61 H GLU 61 11.840 -10.409 -15.749 232 HA GLU 61 HA GLU 61 10.122 -9.975 -18.100 233 1HB GLU 61 2HB GLU 61 10.881 -12.649 -17.004 234 2HB GLU 61 1HB GLU 61 9.213 -12.430 -17.535 235 1HG GLU 61 2HG GLU 61 10.518 -11.290 -19.618 236 2HG GLU 61 1HG GLU 61 11.712 -12.494 -19.133 237 H TYR 62 H TYR 62 7.813 -10.059 -17.484 238 HA TYR 62 HA TYR 62 7.400 -9.774 -14.524 239 1HB TYR 62 2HB TYR 62 6.236 -8.290 -16.899 240 2HB TYR 62 1HB TYR 62 5.641 -8.101 -15.249 241 HD1 TYR 62 HD2 TYR 62 8.030 -8.151 -13.598 242 HD2 TYR 62 HD1 TYR 62 7.430 -6.341 -17.471 243 HE1 TYR 62 HE2 TYR 62 9.856 -6.525 -13.121 244 HE2 TYR 62 HE1 TYR 62 9.258 -4.714 -16.994 245 HH TYR 62 HH TYR 62 11.392 -4.754 -15.400 246 H LEU 63 H LEU 63 4.729 -9.776 -14.319 247 HA LEU 63 HA LEU 63 3.971 -12.519 -14.948 248 1HB LEU 63 2HB LEU 63 3.394 -10.793 -12.980 249 2HB LEU 63 1HB LEU 63 2.016 -10.453 -14.028 250 HG LEU 63 HG LEU 63 1.834 -13.084 -14.132 251 1HD1 LEU 63 3HD1 LEU 63 3.994 -12.762 -12.359 252 2HD1 LEU 63 2HD1 LEU 63 2.622 -13.210 -11.345 253 3HD1 LEU 63 1HD1 LEU 63 3.105 -14.251 -12.685 254 1HD2 LEU 63 2HD2 LEU 63 0.917 -11.132 -12.062 255 2HD2 LEU 63 1HD2 LEU 63 -0.030 -12.068 -13.219 256 3HD2 LEU 63 3HD2 LEU 63 0.605 -12.843 -11.768 257 H GLU 64 H GLU 64 3.441 -9.381 -16.412 258 HA GLU 64 HA GLU 64 1.451 -10.596 -18.297 259 1HB GLU 64 2HB GLU 64 2.053 -7.713 -17.555 260 2HB GLU 64 1HB GLU 64 0.776 -8.235 -18.652 261 1HG GLU 64 2HG GLU 64 0.838 -9.500 -15.955 262 2HG GLU 64 1HG GLU 64 0.322 -7.815 -16.038 263 HA PRO 65 HA PRO 65 4.318 -10.268 -21.641 264 1HB PRO 65 2HB PRO 65 2.453 -9.055 -23.467 265 2HB PRO 65 1HB PRO 65 2.935 -10.752 -23.372 266 1HG PRO 65 2HG PRO 65 0.415 -9.605 -22.642 267 2HG PRO 65 1HG PRO 65 0.914 -11.295 -22.518 268 1HD PRO 65 2HD PRO 65 0.530 -9.399 -20.357 269 2HD PRO 65 1HD PRO 65 1.006 -11.112 -20.245 270 H SER 66 H SER 66 2.128 -7.449 -21.997 271 HA SER 66 HA SER 66 4.500 -5.647 -21.678 272 1HB SER 66 2HB SER 66 4.141 -5.944 -24.049 273 2HB SER 66 1HB SER 66 2.403 -5.723 -23.868 274 HG SER 66 HG SER 66 4.384 -3.777 -23.261 275 H LYS 67 H LYS 67 2.540 -6.210 -19.697 276 HA LYS 67 HA LYS 67 0.930 -5.174 -18.302 277 1HB LYS 67 2HB LYS 67 2.698 -3.007 -19.432 278 2HB LYS 67 1HB LYS 67 1.470 -2.640 -18.221 279 1HG LYS 67 2HG LYS 67 2.456 -4.286 -16.690 280 2HG LYS 67 1HG LYS 67 3.662 -4.711 -17.905 281 1HD LYS 67 2HD LYS 67 4.859 -2.772 -17.600 282 2HD LYS 67 1HD LYS 67 3.426 -1.830 -17.185 283 1HE LYS 67 2HE LYS 67 3.331 -2.926 -14.972 284 2HE LYS 67 1HE LYS 67 4.771 -3.878 -15.384 285 1HZ LYS 67 2HZ LYS 67 5.943 -1.780 -15.831 286 2HZ LYS 67 1HZ LYS 67 4.582 -0.913 -15.298 287 3HZ LYS 67 3HZ LYS 67 5.440 -1.895 -14.212 288 H LYS 68 H LYS 68 -1.072 -5.591 -19.382 289 HA LYS 68 HA LYS 68 -2.006 -3.434 -21.249 290 1HB LYS 68 2HB LYS 68 -3.508 -5.225 -22.118 291 2HB LYS 68 1HB LYS 68 -1.806 -5.672 -22.243 292 1HG LYS 68 2HG LYS 68 -1.948 -7.070 -20.289 293 2HG LYS 68 1HG LYS 68 -3.564 -6.471 -19.910 294 1HD LYS 68 2HD LYS 68 -4.558 -7.650 -21.668 295 2HD LYS 68 1HD LYS 68 -3.044 -7.786 -22.563 296 1HE LYS 68 2HE LYS 68 -2.194 -9.451 -21.043 297 2HE LYS 68 1HE LYS 68 -3.526 -9.171 -19.904 298 1HZ LYS 68 3HZ LYS 68 -3.899 -10.037 -22.721 299 2HZ LYS 68 2HZ LYS 68 -3.894 -11.102 -21.398 300 3HZ LYS 68 1HZ LYS 68 -5.096 -9.909 -21.527 301 H ILE 69 H ILE 69 -3.979 -2.428 -20.767 302 HA ILE 69 HA ILE 69 -4.961 -2.662 -18.025 303 HB ILE 69 HB ILE 69 -4.764 -0.541 -19.353 304 1HG1 ILE 69 2HG1 ILE 69 -7.284 0.122 -18.868 305 2HG1 ILE 69 1HG1 ILE 69 -7.327 -1.468 -18.104 306 1HG2 ILE 69 3HG2 ILE 69 -5.550 -1.577 -21.505 307 2HG2 ILE 69 2HG2 ILE 69 -7.180 -1.606 -20.840 308 3HG2 ILE 69 1HG2 ILE 69 -6.364 -0.068 -21.111 309 1HD1 ILE 69 3HD1 ILE 69 -5.304 -0.825 -16.774 310 2HD1 ILE 69 2HD1 ILE 69 -5.421 0.797 -17.456 311 3HD1 ILE 69 1HD1 ILE 69 -6.712 0.179 -16.426 312 H VAL 70 H VAL 70 -6.992 -3.451 -17.384 313 HA VAL 70 HA VAL 70 -8.814 -4.607 -19.416 314 HB VAL 70 HB VAL 70 -7.780 -6.285 -17.111 315 1HG1 VAL 70 2HG1 VAL 70 -9.969 -6.796 -18.297 316 2HG1 VAL 70 1HG1 VAL 70 -9.017 -7.088 -19.754 317 3HG1 VAL 70 3HG1 VAL 70 -8.780 -8.099 -18.327 318 1HG2 VAL 70 3HG2 VAL 70 -6.737 -6.097 -19.956 319 2HG2 VAL 70 2HG2 VAL 70 -5.824 -5.846 -18.468 320 3HG2 VAL 70 1HG2 VAL 70 -6.400 -7.460 -18.887 321 H VAL 71 H VAL 71 -10.467 -3.236 -18.715 322 HA VAL 71 HA VAL 71 -11.768 -3.898 -16.193 323 HB VAL 71 HB VAL 71 -11.572 -1.274 -15.611 324 1HG1 VAL 71 1HG1 VAL 71 -10.766 -3.533 -14.440 325 2HG1 VAL 71 3HG1 VAL 71 -9.179 -2.898 -14.874 326 3HG1 VAL 71 2HG1 VAL 71 -10.256 -1.951 -13.848 327 1HG2 VAL 71 2HG2 VAL 71 -8.966 -1.930 -17.034 328 2HG2 VAL 71 1HG2 VAL 71 -10.129 -0.697 -17.512 329 3HG2 VAL 71 3HG2 VAL 71 -9.229 -0.522 -16.008 330 H SER 72 H SER 72 -12.049 -0.622 -17.426 331 HA SER 72 HA SER 72 -14.460 -1.391 -19.005 332 1HB SER 72 2HB SER 72 -14.281 -0.103 -16.390 333 2HB SER 72 1HB SER 72 -15.176 0.878 -17.548 334 HG SER 72 HG SER 72 -15.898 -1.407 -16.303 335 H THR 73 H THR 73 -14.572 -0.185 -20.875 336 HA THR 73 HA THR 73 -12.561 1.849 -21.445 337 HB THR 73 HB THR 73 -13.548 0.233 -23.092 338 HG1 THR 73 HG1 THR 73 -13.179 1.673 -24.563 339 1HG2 THR 73 2HG2 THR 73 -16.029 1.939 -22.730 340 2HG2 THR 73 1HG2 THR 73 -15.821 0.691 -23.958 341 3HG2 THR 73 3HG2 THR 73 -15.859 0.252 -22.250 342 H LYS 74 H LYS 74 -15.986 1.838 -20.516 343 HA LYS 74 HA LYS 74 -16.708 4.517 -21.025 344 1HB LYS 74 2HB LYS 74 -17.781 2.318 -19.784 345 2HB LYS 74 1HB LYS 74 -17.503 3.386 -18.409 346 1HG LYS 74 2HG LYS 74 -18.975 4.191 -20.934 347 2HG LYS 74 1HG LYS 74 -19.759 3.703 -19.432 348 1HD LYS 74 2HD LYS 74 -17.891 5.630 -18.645 349 2HD LYS 74 1HD LYS 74 -18.580 6.268 -20.138 350 1HE LYS 74 2HE LYS 74 -20.535 6.757 -19.100 351 2HE LYS 74 1HE LYS 74 -20.646 5.118 -18.427 352 1HZ LYS 74 2HZ LYS 74 -19.008 5.726 -16.757 353 2HZ LYS 74 1HZ LYS 74 -18.915 7.301 -17.388 354 3HZ LYS 74 3HZ LYS 74 -20.352 6.761 -16.667 355 H TYR 75 H TYR 75 -14.736 3.110 -18.475 356 HA TYR 75 HA TYR 75 -14.456 5.544 -16.910 357 1HB TYR 75 2HB TYR 75 -13.961 3.752 -15.575 358 2HB TYR 75 1HB TYR 75 -13.592 2.727 -16.953 359 HD1 TYR 75 HD1 TYR 75 -12.007 5.908 -15.674 360 HD2 TYR 75 HD2 TYR 75 -11.508 1.718 -16.613 361 HE1 TYR 75 HE1 TYR 75 -9.577 6.075 -15.139 362 HE2 TYR 75 HE2 TYR 75 -9.084 1.889 -16.084 363 HH TYR 75 HH TYR 75 -7.726 4.057 -14.325 364 H LEU 76 H LEU 76 -12.785 4.015 -19.608 365 HA LEU 76 HA LEU 76 -10.439 5.732 -19.564 366 1HB LEU 76 2HB LEU 76 -11.722 3.669 -21.287 367 2HB LEU 76 1HB LEU 76 -10.621 4.780 -22.100 368 HG LEU 76 HG LEU 76 -9.247 4.140 -19.797 369 1HD1 LEU 76 2HD1 LEU 76 -10.769 1.731 -20.793 370 2HD1 LEU 76 1HD1 LEU 76 -9.291 1.607 -19.845 371 3HD1 LEU 76 3HD1 LEU 76 -10.721 2.368 -19.150 372 1HD2 LEU 76 2HD2 LEU 76 -9.129 3.552 -22.667 373 2HD2 LEU 76 1HD2 LEU 76 -7.836 4.037 -21.571 374 3HD2 LEU 76 3HD2 LEU 76 -8.310 2.341 -21.682 375 H GLN 77 H GLN 77 -13.610 5.805 -21.152 376 HA GLN 77 HA GLN 77 -13.008 8.085 -22.853 377 1HB GLN 77 2HB GLN 77 -15.120 6.192 -22.339 378 2HB GLN 77 1HB GLN 77 -15.794 7.820 -22.365 379 1HG GLN 77 2HG GLN 77 -15.761 6.812 -24.632 380 2HG GLN 77 1HG GLN 77 -14.742 8.249 -24.539 381 1HE2 GLN 77 2HE2 GLN 77 -12.583 4.767 -24.305 382 2HE2 GLN 77 1HE2 GLN 77 -13.905 5.004 -23.269 383 H GLN 78 H GLN 78 -14.692 7.647 -19.724 384 HA GLN 78 HA GLN 78 -15.544 10.330 -19.332 385 1HB GLN 78 2HB GLN 78 -14.927 7.918 -17.707 386 2HB GLN 78 1HB GLN 78 -14.952 9.445 -16.825 387 1HG GLN 78 2HG GLN 78 -17.193 9.691 -18.375 388 2HG GLN 78 1HG GLN 78 -17.177 7.955 -18.069 389 1HE2 GLN 78 2HE2 GLN 78 -17.246 10.348 -14.717 390 2HE2 GLN 78 1HE2 GLN 78 -16.263 10.794 -16.027 391 H LEU 79 H LEU 79 -12.424 8.766 -18.898 392 HA LEU 79 HA LEU 79 -11.114 10.961 -17.516 393 1HB LEU 79 2HB LEU 79 -10.508 8.333 -18.744 394 2HB LEU 79 1HB LEU 79 -9.160 9.467 -18.730 395 HG LEU 79 HG LEU 79 -9.344 7.957 -16.686 396 1HD1 LEU 79 2HD1 LEU 79 -9.401 10.969 -16.415 397 2HD1 LEU 79 1HD1 LEU 79 -8.940 9.883 -15.103 398 3HD1 LEU 79 3HD1 LEU 79 -7.985 9.931 -16.585 399 1HD2 LEU 79 3HD2 LEU 79 -11.826 8.102 -16.468 400 2HD2 LEU 79 2HD2 LEU 79 -11.001 8.578 -14.985 401 3HD2 LEU 79 1HD2 LEU 79 -11.668 9.809 -16.057 402 H GLN 80 H GLN 80 -11.348 9.858 -20.874 403 HA GLN 80 HA GLN 80 -9.541 11.777 -22.013 404 1HB GLN 80 2HB GLN 80 -11.249 9.617 -22.769 405 2HB GLN 80 1HB GLN 80 -11.633 10.986 -23.811 406 1HG GLN 80 2HG GLN 80 -9.718 10.707 -24.959 407 2HG GLN 80 1HG GLN 80 -8.774 10.773 -23.476 408 1HE2 GLN 80 2HE2 GLN 80 -9.193 7.107 -23.024 409 2HE2 GLN 80 1HE2 GLN 80 -9.519 8.496 -22.104 410 H LYS 81 H LYS 81 -13.070 11.768 -21.493 411 HA LYS 81 HA LYS 81 -13.444 14.404 -22.704 412 1HB LYS 81 2HB LYS 81 -15.062 12.341 -22.360 413 2HB LYS 81 1HB LYS 81 -15.343 13.076 -20.782 414 1HG LYS 81 2HG LYS 81 -16.070 15.145 -21.801 415 2HG LYS 81 1HG LYS 81 -15.611 14.569 -23.403 416 1HD LYS 81 2HD LYS 81 -17.279 12.563 -22.563 417 2HD LYS 81 1HD LYS 81 -18.025 13.977 -21.816 418 1HE LYS 81 2HE LYS 81 -19.029 13.882 -23.969 419 2HE LYS 81 1HE LYS 81 -17.737 15.082 -24.170 420 1HZ LYS 81 2HZ LYS 81 -17.257 12.193 -24.587 421 2HZ LYS 81 1HZ LYS 81 -17.815 13.186 -25.849 422 3HZ LYS 81 3HZ LYS 81 -16.319 13.505 -25.117 423 H ASP 82 H ASP 82 -13.107 13.093 -19.410 424 HA ASP 82 HA ASP 82 -13.693 15.442 -17.928 425 1HB ASP 82 2HB ASP 82 -12.012 12.978 -17.626 426 2HB ASP 82 1HB ASP 82 -11.792 14.268 -16.452 427 H LEU 83 H LEU 83 -10.630 14.268 -19.323 428 HA LEU 83 HA LEU 83 -8.937 16.414 -18.573 429 1HB LEU 83 2HB LEU 83 -8.178 14.299 -19.557 430 2HB LEU 83 1HB LEU 83 -9.027 14.670 -21.058 431 HG LEU 83 HG LEU 83 -7.121 16.726 -20.084 432 1HD1 LEU 83 3HD1 LEU 83 -6.142 14.264 -19.858 433 2HD1 LEU 83 2HD1 LEU 83 -5.964 14.426 -21.604 434 3HD1 LEU 83 1HD1 LEU 83 -5.167 15.572 -20.528 435 1HD2 LEU 83 3HD2 LEU 83 -8.125 15.591 -22.672 436 2HD2 LEU 83 2HD2 LEU 83 -8.044 17.273 -22.148 437 3HD2 LEU 83 1HD2 LEU 83 -6.579 16.439 -22.663 438 H ASN 84 H ASN 84 -11.068 16.016 -21.413 439 HA ASN 84 HA ASN 84 -10.365 18.437 -22.758 440 1HB ASN 84 2HB ASN 84 -12.056 16.261 -23.082 441 2HB ASN 84 1HB ASN 84 -13.174 17.612 -22.917 442 1HD2 ASN 84 2HD2 ASN 84 -12.612 17.962 -26.431 443 2HD2 ASN 84 1HD2 ASN 84 -13.687 17.359 -25.265 444 H ASP 85 H ASP 85 -12.724 17.719 -20.201 445 HA ASP 85 HA ASP 85 -14.031 20.270 -20.152 446 1HB ASP 85 2HB ASP 85 -14.559 17.992 -19.000 447 2HB ASP 85 1HB ASP 85 -13.469 18.550 -17.730 448 H LYS 86 H LYS 86 -10.880 19.252 -19.111 449 HA LYS 86 HA LYS 86 -10.448 21.496 -17.265 450 1HB LYS 86 2HB LYS 86 -8.488 19.639 -18.668 451 2HB LYS 86 1HB LYS 86 -8.169 20.597 -17.222 452 1HG LYS 86 2HG LYS 86 -10.175 18.336 -17.457 453 2HG LYS 86 1HG LYS 86 -8.637 18.276 -16.598 454 1HD LYS 86 2HD LYS 86 -9.399 20.047 -15.072 455 2HD LYS 86 1HD LYS 86 -10.933 20.144 -15.940 456 1HE LYS 86 2HE LYS 86 -11.421 17.787 -15.355 457 2HE LYS 86 1HE LYS 86 -9.887 17.699 -14.464 458 1HZ LYS 86 1HZ LYS 86 -10.716 19.798 -13.301 459 2HZ LYS 86 3HZ LYS 86 -12.250 19.386 -13.898 460 3HZ LYS 86 2HZ LYS 86 -11.433 18.324 -12.852 461 H THR 87 H THR 87 -10.035 20.710 -20.639 462 HA THR 87 HA THR 87 -8.400 23.018 -21.340 463 HB THR 87 HB THR 87 -10.011 20.883 -22.771 464 HG1 THR 87 HG1 THR 87 -7.862 20.350 -23.459 465 1HG2 THR 87 1HG2 THR 87 -9.181 23.448 -23.816 466 2HG2 THR 87 3HG2 THR 87 -8.337 22.140 -24.645 467 3HG2 THR 87 2HG2 THR 87 -10.101 22.168 -24.607 468 H GLU 88 H GLU 88 -11.843 22.086 -21.645 469 HA GLU 88 HA GLU 88 -12.800 24.503 -22.827 470 1HB GLU 88 2HB GLU 88 -14.008 22.417 -20.984 471 2HB GLU 88 1HB GLU 88 -14.965 23.708 -21.711 472 1HG GLU 88 2HG GLU 88 -14.209 22.953 -23.965 473 2HG GLU 88 1HG GLU 88 -13.362 21.607 -23.198 474 H GLU 89 H GLU 89 -12.111 23.556 -19.501 475 HA GLU 89 HA GLU 89 -13.242 25.908 -18.234 476 1HB GLU 89 2HB GLU 89 -11.605 23.542 -17.580 477 2HB GLU 89 1HB GLU 89 -11.246 24.955 -16.588 478 1HG GLU 89 2HG GLU 89 -13.889 25.114 -16.440 479 2HG GLU 89 1HG GLU 89 -13.791 23.391 -16.808 480 H ASN 90 H ASN 90 -9.909 24.933 -19.096 481 HA ASN 90 HA ASN 90 -8.522 27.281 -18.353 482 1HB ASN 90 2HB ASN 90 -8.176 24.908 -19.971 483 2HB ASN 90 1HB ASN 90 -7.464 26.292 -20.799 484 1HD2 ASN 90 2HD2 ASN 90 -5.293 24.662 -17.977 485 2HD2 ASN 90 1HD2 ASN 90 -6.437 23.880 -18.955 486 H ASN 91 H ASN 91 -10.650 26.614 -21.042 487 HA ASN 91 HA ASN 91 -9.933 28.905 -22.674 488 1HB ASN 91 2HB ASN 91 -11.840 26.664 -22.583 489 2HB ASN 91 1HB ASN 91 -12.510 28.113 -23.325 490 1HD2 ASN 91 2HD2 ASN 91 -9.407 26.156 -25.160 491 2HD2 ASN 91 1HD2 ASN 91 -9.766 25.826 -23.533 492 H ARG 92 H ARG 92 -12.305 28.233 -20.130 493 HA ARG 92 HA ARG 92 -13.666 30.815 -20.421 494 1HB ARG 92 2HB ARG 92 -14.443 28.452 -19.518 495 2HB ARG 92 1HB ARG 92 -13.787 29.056 -17.997 496 1HG ARG 92 2HG ARG 92 -15.293 30.873 -17.929 497 2HG ARG 92 1HG ARG 92 -15.693 30.714 -19.639 498 1HD ARG 92 2HD ARG 92 -16.867 28.607 -19.215 499 2HD ARG 92 1HD ARG 92 -16.392 28.663 -17.506 500 HE ARG 92 HE ARG 92 -17.924 30.471 -17.168 501 1HH1 ARG 92 1HH2 ARG 92 -17.408 32.138 -19.536 502 2HH1 ARG 92 2HH2 ARG 92 -18.844 31.932 -20.482 503 1HH2 ARG 92 2HH1 ARG 92 -19.873 29.087 -18.790 504 2HH2 ARG 92 1HH1 ARG 92 -20.239 30.205 -20.061 505 H LEU 93 H LEU 93 -11.570 29.319 -17.921 506 HA LEU 93 HA LEU 93 -11.279 31.498 -16.176 507 1HB LEU 93 2HB LEU 93 -10.001 28.998 -16.802 508 2HB LEU 93 1HB LEU 93 -8.756 30.207 -16.491 509 HG LEU 93 HG LEU 93 -11.132 29.811 -14.662 510 1HD1 LEU 93 3HD1 LEU 93 -9.827 27.715 -14.781 511 2HD1 LEU 93 2HD1 LEU 93 -8.349 28.617 -14.442 512 3HD1 LEU 93 1HD1 LEU 93 -9.616 28.506 -13.219 513 1HD2 LEU 93 2HD2 LEU 93 -8.409 31.109 -14.305 514 2HD2 LEU 93 1HD2 LEU 93 -9.937 31.967 -14.513 515 3HD2 LEU 93 3HD2 LEU 93 -9.659 30.998 -13.065 516 H LYS 94 H LYS 94 -9.897 30.977 -19.354 517 HA LYS 94 HA LYS 94 -7.929 33.128 -19.179 518 1HB LYS 94 2HB LYS 94 -7.677 31.159 -20.640 519 2HB LYS 94 1HB LYS 94 -9.155 31.593 -21.499 520 1HG LYS 94 2HG LYS 94 -8.148 33.660 -22.291 521 2HG LYS 94 1HG LYS 94 -6.701 33.364 -21.327 522 1HD LYS 94 2HD LYS 94 -6.353 31.238 -22.625 523 2HD LYS 94 1HD LYS 94 -7.694 31.715 -23.668 524 1HE LYS 94 2HE LYS 94 -6.516 33.569 -24.542 525 2HE LYS 94 1HE LYS 94 -5.356 33.575 -23.199 526 1HZ LYS 94 1HZ LYS 94 -4.754 31.258 -23.940 527 2HZ LYS 94 3HZ LYS 94 -5.620 31.568 -25.364 528 3HZ LYS 94 2HZ LYS 94 -4.261 32.510 -24.977 529 H ALA 95 H ALA 95 -11.236 32.724 -20.418 530 HA ALA 95 HA ALA 95 -11.308 35.501 -21.436 531 1HB ALA 95 1HB ALA 95 -12.772 32.998 -21.706 532 2HB ALA 95 3HB ALA 95 -13.870 34.355 -21.453 533 3HB ALA 95 2HB ALA 95 -12.730 34.382 -22.798 534 H LEU 96 H LEU 96 -11.909 33.878 -18.469 535 HA LEU 96 HA LEU 96 -13.961 35.767 -17.516 536 1HB LEU 96 2HB LEU 96 -13.695 33.259 -16.981 537 2HB LEU 96 1HB LEU 96 -12.359 33.744 -15.936 538 HG LEU 96 HG LEU 96 -14.007 35.398 -14.866 539 1HD1 LEU 96 1HD1 LEU 96 -15.626 34.763 -16.925 540 2HD1 LEU 96 3HD1 LEU 96 -16.189 33.576 -15.750 541 3HD1 LEU 96 2HD1 LEU 96 -16.247 35.295 -15.363 542 1HD2 LEU 96 3HD2 LEU 96 -13.228 33.183 -13.898 543 2HD2 LEU 96 2HD2 LEU 96 -14.808 33.721 -13.332 544 3HD2 LEU 96 1HD2 LEU 96 -14.693 32.461 -14.561 545 H LEU 97 H LEU 97 -10.488 35.433 -17.482 546 HA LEU 97 HA LEU 97 -10.203 37.436 -15.303 547 1HB LEU 97 2HB LEU 97 -8.198 35.796 -16.887 548 2HB LEU 97 1HB LEU 97 -7.818 36.787 -15.479 549 HG LEU 97 HG LEU 97 -9.765 34.463 -15.481 550 1HD1 LEU 97 2HD1 LEU 97 -6.864 34.720 -14.693 551 2HD1 LEU 97 1HD1 LEU 97 -7.903 33.502 -13.955 552 3HD1 LEU 97 3HD1 LEU 97 -7.624 33.485 -15.697 553 1HD2 LEU 97 3HD2 LEU 97 -9.196 36.639 -13.633 554 2HD2 LEU 97 2HD2 LEU 97 -10.475 35.426 -13.564 555 3HD2 LEU 97 1HD2 LEU 97 -8.886 35.072 -12.887 556 H LEU 98 H LEU 98 -9.484 37.002 -18.766 557 HA LEU 98 HA LEU 98 -8.165 39.566 -19.078 558 1HB LEU 98 2HB LEU 98 -9.576 37.753 -21.062 559 2HB LEU 98 1HB LEU 98 -8.410 39.012 -21.466 560 HG LEU 98 HG LEU 98 -7.828 36.630 -19.691 561 1HD1 LEU 98 2HD1 LEU 98 -8.235 36.222 -22.212 562 2HD1 LEU 98 1HD1 LEU 98 -6.742 37.125 -22.466 563 3HD1 LEU 98 3HD1 LEU 98 -6.719 35.629 -21.532 564 1HD2 LEU 98 2HD2 LEU 98 -6.375 39.099 -20.443 565 2HD2 LEU 98 1HD2 LEU 98 -6.185 38.069 -19.024 566 3HD2 LEU 98 3HD2 LEU 98 -5.433 37.613 -20.553 567 H GLU 99 H GLU 99 -11.462 38.515 -18.958 568 HA GLU 99 HA GLU 99 -12.529 40.927 -20.277 569 1HB GLU 99 2HB GLU 99 -13.426 38.502 -20.329 570 2HB GLU 99 1HB GLU 99 -14.039 38.833 -18.709 571 1HG GLU 99 2HG GLU 99 -15.182 40.880 -19.663 572 2HG GLU 99 1HG GLU 99 -14.733 40.299 -21.267 573 H ARG 100 HN ARG 100 -11.997 39.700 -17.019 574 HA ARG 100 HA ARG 100 -13.638 41.745 -15.716 575 1HB ARG 100 2HB ARG 100 -11.776 39.522 -14.950 576 2HB ARG 100 1HB ARG 100 -12.187 40.731 -13.734 577 1HG ARG 100 2HG ARG 100 -14.546 39.863 -15.198 578 2HG ARG 100 1HG ARG 100 -13.724 38.501 -14.438 579 1HD ARG 100 2HD ARG 100 -13.994 40.937 -12.754 580 2HD ARG 100 1HD ARG 100 -15.493 40.051 -13.096 581 HE ARG 100 HE ARG 100 -13.894 37.990 -12.451 582 1HH1 ARG 100 1HH1 ARG 100 -11.784 39.046 -11.036 583 2HH1 ARG 100 2HH1 ARG 100 -12.378 39.435 -9.456 584 1HH2 ARG 100 1HH2 ARG 100 -15.712 39.383 -10.404 585 2HH2 ARG 100 2HH2 ARG 100 -14.601 39.626 -9.098 586 1H MET 30 3H MET 30 -21.981 -24.640 -18.095 587 2H MET 30 2H MET 30 -21.257 -25.216 -19.521 588 3H MET 30 1H MET 30 -20.290 -24.711 -18.218 589 HA MET 30 HA MET 30 -21.002 -22.429 -18.502 590 1HB MET 30 2HB MET 30 -19.277 -23.911 -20.000 591 2HB MET 30 1HB MET 30 -20.323 -23.268 -21.267 592 1HG MET 30 2HG MET 30 -19.989 -20.993 -19.981 593 2HG MET 30 1HG MET 30 -18.551 -21.792 -19.345 594 1HE MET 30 2HE MET 30 -17.827 -19.359 -20.643 595 2HE MET 30 1HE MET 30 -17.808 -19.210 -22.399 596 3HE MET 30 3HE MET 30 -19.347 -19.243 -21.526 597 H SER 31 H SER 31 -23.561 -23.472 -18.503 598 HA SER 31 HA SER 31 -24.840 -23.147 -21.122 599 1HB SER 31 2HB SER 31 -26.895 -23.357 -19.545 600 2HB SER 31 1HB SER 31 -25.805 -24.736 -19.660 601 HG SER 31 HG SER 31 -26.489 -23.725 -17.482 602 H VAL 32 H VAL 32 -26.957 -21.629 -20.945 603 HA VAL 32 HA VAL 32 -26.213 -19.032 -19.662 604 HB VAL 32 HB VAL 32 -27.021 -19.504 -22.551 605 1HG1 VAL 32 3HG1 VAL 32 -27.916 -17.392 -21.627 606 2HG1 VAL 32 2HG1 VAL 32 -26.297 -16.947 -21.085 607 3HG1 VAL 32 1HG1 VAL 32 -26.644 -17.081 -22.808 608 1HG2 VAL 32 3HG2 VAL 32 -24.411 -18.630 -21.271 609 2HG2 VAL 32 2HG2 VAL 32 -24.702 -20.146 -22.125 610 3HG2 VAL 32 1HG2 VAL 32 -24.726 -18.618 -23.006 611 H ALA 33 H ALA 33 -27.956 -18.966 -18.225 612 HA ALA 33 HA ALA 33 -30.677 -19.659 -19.182 613 1HB ALA 33 3HB ALA 33 -29.425 -20.184 -16.898 614 2HB ALA 33 2HB ALA 33 -30.020 -18.582 -16.461 615 3HB ALA 33 1HB ALA 33 -31.157 -19.853 -16.911 616 H CYS 34 H CYS 34 -32.441 -18.099 -18.967 617 HA CYS 34 HA CYS 34 -31.957 -15.513 -19.994 618 1HB CYS 34 2HB CYS 34 -34.209 -16.513 -18.222 619 2HB CYS 34 1HB CYS 34 -34.289 -15.108 -19.282 620 H LEU 35 H LEU 35 -32.855 -13.502 -18.579 621 HA LEU 35 HA LEU 35 -30.899 -13.070 -16.484 622 1HB LEU 35 2HB LEU 35 -32.999 -11.620 -17.956 623 2HB LEU 35 1HB LEU 35 -32.741 -11.038 -16.312 624 HG LEU 35 HG LEU 35 -30.170 -11.296 -17.101 625 1HD1 LEU 35 2HD1 LEU 35 -30.815 -12.038 -19.368 626 2HD1 LEU 35 1HD1 LEU 35 -31.727 -10.546 -19.595 627 3HD1 LEU 35 3HD1 LEU 35 -29.974 -10.490 -19.423 628 1HD2 LEU 35 1HD2 LEU 35 -32.106 -9.003 -17.473 629 2HD2 LEU 35 3HD2 LEU 35 -30.954 -9.254 -16.160 630 3HD2 LEU 35 2HD2 LEU 35 -30.377 -8.817 -17.769 631 H SER 36 H SER 36 -34.303 -13.920 -16.584 632 HA SER 36 HA SER 36 -34.816 -13.515 -13.752 633 1HB SER 36 2HB SER 36 -36.169 -14.395 -16.174 634 2HB SER 36 1HB SER 36 -36.602 -15.416 -14.806 635 HG SER 36 HG SER 36 -36.720 -12.579 -14.942 636 H CYS 37 H CYS 37 -33.903 -16.282 -15.787 637 HA CYS 37 HA CYS 37 -34.001 -18.234 -13.644 638 1HB CYS 37 2HB CYS 37 -32.537 -18.208 -16.307 639 2HB CYS 37 1HB CYS 37 -32.901 -19.641 -15.345 640 H ARG 38 H ARG 38 -31.753 -15.774 -14.551 641 HA ARG 38 HA ARG 38 -29.394 -17.105 -13.401 642 1HB ARG 38 2HB ARG 38 -30.097 -14.531 -14.763 643 2HB ARG 38 1HB ARG 38 -28.604 -14.596 -13.825 644 1HG ARG 38 2HG ARG 38 -29.343 -16.598 -15.978 645 2HG ARG 38 1HG ARG 38 -28.288 -15.208 -16.238 646 1HD ARG 38 2HD ARG 38 -26.926 -16.131 -14.220 647 2HD ARG 38 1HD ARG 38 -27.791 -17.649 -14.536 648 HE ARG 38 HE ARG 38 -26.791 -16.555 -17.003 649 1HH1 ARG 38 2HH1 ARG 38 -26.467 -19.342 -16.842 650 2HH1 ARG 38 1HH1 ARG 38 -24.826 -19.598 -16.354 651 1HH2 ARG 38 1HH2 ARG 38 -24.389 -16.362 -15.189 652 2HH2 ARG 38 2HH2 ARG 38 -23.649 -17.910 -15.418 653 H LYS 39 H LYS 39 -31.687 -14.528 -12.495 654 HA LYS 39 HA LYS 39 -30.273 -13.783 -10.071 655 1HB LYS 39 2HB LYS 39 -32.419 -12.569 -9.636 656 2HB LYS 39 1HB LYS 39 -31.791 -12.273 -11.258 657 1HG LYS 39 2HG LYS 39 -33.583 -13.243 -12.234 658 2HG LYS 39 1HG LYS 39 -33.523 -14.621 -11.138 659 1HD LYS 39 2HD LYS 39 -35.471 -13.748 -10.347 660 2HD LYS 39 1HD LYS 39 -34.387 -12.698 -9.433 661 1HE LYS 39 2HE LYS 39 -34.511 -11.329 -11.791 662 2HE LYS 39 1HE LYS 39 -36.138 -12.037 -11.729 663 1HZ LYS 39 1HZ LYS 39 -36.188 -11.317 -9.340 664 2HZ LYS 39 3HZ LYS 39 -34.790 -10.408 -9.648 665 3HZ LYS 39 2HZ LYS 39 -36.233 -10.051 -10.471 666 H ARG 40 H ARG 40 -32.571 -16.281 -10.906 667 HA ARG 40 HA ARG 40 -32.830 -16.986 -8.000 668 1HB ARG 40 2HB ARG 40 -34.614 -17.498 -10.399 669 2HB ARG 40 1HB ARG 40 -34.940 -18.094 -8.768 670 1HG ARG 40 2HG ARG 40 -35.080 -15.852 -7.903 671 2HG ARG 40 1HG ARG 40 -34.509 -15.181 -9.430 672 1HD ARG 40 2HD ARG 40 -36.904 -14.893 -9.431 673 2HD ARG 40 1HD ARG 40 -36.583 -16.270 -10.504 674 HE ARG 40 HE ARG 40 -37.151 -17.770 -8.612 675 1HH1 ARG 40 2HH1 ARG 40 -37.035 -16.621 -6.133 676 2HH1 ARG 40 1HH1 ARG 40 -38.570 -15.876 -5.837 677 1HH2 ARG 40 1HH2 ARG 40 -39.505 -15.858 -9.176 678 2HH2 ARG 40 2HH2 ARG 40 -39.968 -15.444 -7.559 679 H HIS 41 H HIS 41 -30.971 -17.792 -10.511 680 HA HIS 41 HA HIS 41 -29.821 -19.747 -11.165 681 1HB HIS 41 2HB HIS 41 -30.773 -20.570 -8.401 682 2HB HIS 41 1HB HIS 41 -29.405 -21.258 -9.276 683 HD1 HIS 41 HD1 HIS 41 -29.491 -19.463 -6.497 684 HD2 HIS 41 HD2 HIS 41 -28.068 -18.344 -10.252 685 HE1 HIS 41 HE1 HIS 41 -27.861 -17.564 -6.108 686 H ILE 42 H ILE 42 -32.064 -19.824 -12.520 687 HA ILE 42 HA ILE 42 -33.536 -22.332 -11.836 688 HB ILE 42 HB ILE 42 -34.142 -20.155 -13.861 689 1HG1 ILE 42 2HG1 ILE 42 -35.237 -20.540 -11.055 690 2HG1 ILE 42 1HG1 ILE 42 -34.062 -19.309 -11.515 691 1HG2 ILE 42 2HG2 ILE 42 -35.180 -22.533 -14.021 692 2HG2 ILE 42 1HG2 ILE 42 -36.093 -22.065 -12.585 693 3HG2 ILE 42 3HG2 ILE 42 -36.267 -21.145 -14.080 694 1HD1 ILE 42 2HD1 ILE 42 -35.996 -18.896 -13.394 695 2HD1 ILE 42 1HD1 ILE 42 -36.972 -19.419 -12.022 696 3HD1 ILE 42 3HD1 ILE 42 -35.909 -18.021 -11.866 697 H LYS 43 H LYS 43 -33.764 -23.964 -13.452 698 HA LYS 43 HA LYS 43 -31.483 -24.223 -15.268 699 1HB LYS 43 2HB LYS 43 -33.910 -25.885 -14.560 700 2HB LYS 43 1HB LYS 43 -32.721 -26.414 -15.750 701 1HG LYS 43 2HG LYS 43 -31.171 -25.593 -13.587 702 2HG LYS 43 1HG LYS 43 -32.543 -26.407 -12.836 703 1HD LYS 43 2HD LYS 43 -31.876 -28.443 -13.571 704 2HD LYS 43 1HD LYS 43 -31.506 -27.829 -15.183 705 1HE LYS 43 2HE LYS 43 -29.519 -26.669 -13.643 706 2HE LYS 43 1HE LYS 43 -29.698 -28.278 -12.913 707 1HZ LYS 43 3HZ LYS 43 -29.665 -29.220 -15.173 708 2HZ LYS 43 2HZ LYS 43 -29.347 -27.675 -15.803 709 3HZ LYS 43 1HZ LYS 43 -28.214 -28.431 -14.786 710 H CYS 44 H CYS 44 -32.066 -22.325 -16.668 711 HA CYS 44 HA CYS 44 -34.468 -22.091 -18.150 712 1HB CYS 44 2HB CYS 44 -32.724 -20.370 -17.949 713 2HB CYS 44 1HB CYS 44 -31.605 -21.382 -18.862 714 HA PRO 45 HA PRO 45 -34.019 -25.794 -20.688 715 1HB PRO 45 2HB PRO 45 -35.965 -24.765 -22.541 716 2HB PRO 45 1HB PRO 45 -36.189 -26.010 -21.310 717 1HG PRO 45 2HG PRO 45 -37.219 -23.339 -21.302 718 2HG PRO 45 1HG PRO 45 -37.413 -24.577 -20.059 719 1HD PRO 45 2HD PRO 45 -35.794 -22.185 -19.950 720 2HD PRO 45 1HD PRO 45 -36.016 -23.418 -18.685 721 H GLY 46 H GLY 46 -34.357 -22.588 -22.243 722 1HA GLY 46 2HA GLY 46 -32.346 -21.781 -23.517 723 2HA GLY 46 1HA GLY 46 -32.217 -23.416 -24.164 724 H GLY 47 H GLY 47 -34.236 -20.511 -24.172 725 1HA GLY 47 2HA GLY 47 -34.891 -20.904 -26.973 726 2HA GLY 47 1HA GLY 47 -36.273 -21.215 -25.922 727 H ASN 48 H ASN 48 -36.162 -19.058 -27.802 728 HA ASN 48 HA ASN 48 -36.187 -16.731 -25.910 729 1HB ASN 48 2HB ASN 48 -34.801 -17.216 -28.458 730 2HB ASN 48 1HB ASN 48 -35.658 -15.676 -28.397 731 1HD2 ASN 48 2HD2 ASN 48 -33.746 -14.680 -25.384 732 2HD2 ASN 48 1HD2 ASN 48 -35.385 -14.827 -25.811 733 HA PRO 49 HA PRO 49 -37.648 -16.119 -24.773 734 1HB PRO 49 2HB PRO 49 -40.209 -17.113 -23.945 735 2HB PRO 49 1HB PRO 49 -39.635 -15.446 -23.903 736 1HG PRO 49 2HG PRO 49 -41.640 -16.529 -25.601 737 2HG PRO 49 1HG PRO 49 -40.961 -14.901 -25.651 738 1HD PRO 49 2HD PRO 49 -40.510 -17.124 -27.497 739 2HD PRO 49 1HD PRO 49 -40.016 -15.422 -27.664 740 H CYS 50 H CYS 50 -37.716 -17.755 -22.875 741 HA CYS 50 HA CYS 50 -37.172 -20.468 -23.928 742 1HB CYS 50 2HB CYS 50 -36.174 -20.772 -21.695 743 2HB CYS 50 1HB CYS 50 -35.602 -19.268 -22.414 744 H GLN 51 H GLN 51 -37.948 -21.309 -20.968 745 HA GLN 51 HA GLN 51 -40.910 -21.385 -21.393 746 1HB GLN 51 2HB GLN 51 -39.769 -23.429 -22.263 747 2HB GLN 51 1HB GLN 51 -39.105 -23.709 -20.654 748 1HG GLN 51 2HG GLN 51 -40.987 -24.936 -20.315 749 2HG GLN 51 1HG GLN 51 -41.770 -23.371 -20.095 750 1HE2 GLN 51 2HE2 GLN 51 -43.238 -23.399 -23.403 751 2HE2 GLN 51 1HE2 GLN 51 -42.570 -22.338 -22.259 752 H LYS 52 H LYS 52 -38.190 -21.857 -19.144 753 HA LYS 52 HA LYS 52 -39.700 -22.188 -16.752 754 1HB LYS 52 2HB LYS 52 -36.955 -21.462 -17.593 755 2HB LYS 52 1HB LYS 52 -37.399 -20.949 -15.963 756 1HG LYS 52 2HG LYS 52 -37.682 -23.770 -17.041 757 2HG LYS 52 1HG LYS 52 -36.402 -23.217 -15.960 758 1HD LYS 52 2HD LYS 52 -37.738 -23.557 -14.185 759 2HD LYS 52 1HD LYS 52 -38.916 -22.423 -14.846 760 1HE LYS 52 2HE LYS 52 -40.312 -24.190 -15.123 761 2HE LYS 52 1HE LYS 52 -39.204 -24.781 -16.378 762 1HZ LYS 52 1HZ LYS 52 -38.690 -25.202 -13.492 763 2HZ LYS 52 3HZ LYS 52 -39.584 -26.312 -14.411 764 3HZ LYS 52 2HZ LYS 52 -37.966 -25.987 -14.813 765 H CYS 53 H CYS 53 -38.955 -19.320 -18.617 766 HA CYS 53 HA CYS 53 -39.912 -17.542 -16.425 767 1HB CYS 53 2HB CYS 53 -38.455 -17.333 -19.016 768 2HB CYS 53 1HB CYS 53 -39.231 -15.894 -18.369 769 H VAL 54 H VAL 54 -40.633 -18.515 -19.768 770 HA VAL 54 HA VAL 54 -42.852 -16.797 -20.233 771 HB VAL 54 HB VAL 54 -42.615 -19.657 -21.218 772 1HG1 VAL 54 2HG1 VAL 54 -44.436 -17.661 -21.754 773 2HG1 VAL 54 1HG1 VAL 54 -43.273 -17.462 -23.066 774 3HG1 VAL 54 3HG1 VAL 54 -44.081 -19.013 -22.828 775 1HG2 VAL 54 3HG2 VAL 54 -40.959 -17.237 -21.938 776 2HG2 VAL 54 2HG2 VAL 54 -40.421 -18.889 -21.635 777 3HG2 VAL 54 1HG2 VAL 54 -41.270 -18.501 -23.129 778 H THR 55 H THR 55 -42.453 -19.810 -18.522 779 HA THR 55 HA THR 55 -45.296 -20.242 -18.027 780 HB THR 55 HB THR 55 -43.513 -22.000 -18.216 781 HG1 THR 55 HG1 THR 55 -45.143 -22.849 -17.160 782 1HG2 THR 55 2HG2 THR 55 -41.865 -20.534 -16.884 783 2HG2 THR 55 1HG2 THR 55 -42.654 -21.186 -15.449 784 3HG2 THR 55 3HG2 THR 55 -41.840 -22.269 -16.579 785 H SER 56 H SER 56 -42.525 -18.821 -16.399 786 HA SER 56 HA SER 56 -44.096 -18.240 -13.942 787 1HB SER 56 2HB SER 56 -41.220 -18.132 -14.819 788 2HB SER 56 1HB SER 56 -41.726 -17.242 -13.386 789 HG SER 56 HG SER 56 -41.100 -19.746 -13.492 790 H ASN 57 H ASN 57 -44.505 -16.951 -16.670 791 HA ASN 57 HA ASN 57 -44.707 -14.840 -17.657 792 1HB ASN 57 2HB ASN 57 -45.947 -13.301 -16.068 793 2HB ASN 57 1HB ASN 57 -46.621 -14.913 -16.250 794 1HD2 ASN 57 2HD2 ASN 57 -44.800 -13.943 -12.690 795 2HD2 ASN 57 1HD2 ASN 57 -44.351 -13.114 -14.100 796 H ALA 58 H ALA 58 -42.216 -14.985 -17.489 797 HA ALA 58 HA ALA 58 -41.238 -12.477 -16.162 798 1HB ALA 58 3HB ALA 58 -40.557 -15.214 -15.750 799 2HB ALA 58 2HB ALA 58 -39.174 -14.445 -16.535 800 3HB ALA 58 1HB ALA 58 -39.800 -13.796 -15.019 801 H ILE 59 H ILE 59 -38.975 -11.919 -17.293 802 HA ILE 59 HA ILE 59 -39.511 -11.865 -20.205 803 HB ILE 59 HB ILE 59 -37.357 -10.521 -18.556 804 1HG1 ILE 59 2HG1 ILE 59 -40.106 -9.521 -19.370 805 2HG1 ILE 59 1HG1 ILE 59 -39.591 -9.897 -17.724 806 1HG2 ILE 59 2HG2 ILE 59 -37.147 -10.722 -21.107 807 2HG2 ILE 59 1HG2 ILE 59 -38.543 -9.647 -21.192 808 3HG2 ILE 59 3HG2 ILE 59 -37.049 -9.094 -20.433 809 1HD1 ILE 59 1HD1 ILE 59 -38.190 -7.849 -19.458 810 2HD1 ILE 59 3HD1 ILE 59 -39.498 -7.433 -18.349 811 3HD1 ILE 59 2HD1 ILE 59 -37.992 -8.108 -17.725 812 H CYS 60 H CYS 60 -38.334 -13.057 -21.607 813 HA CYS 60 HA CYS 60 -36.057 -14.671 -20.536 814 1HB CYS 60 2HB CYS 60 -37.639 -15.174 -23.068 815 2HB CYS 60 1HB CYS 60 -36.689 -16.318 -22.132 816 H GLU 61 H GLU 61 -34.232 -13.434 -21.014 817 HA GLU 61 HA GLU 61 -33.744 -12.861 -23.900 818 1HB GLU 61 2HB GLU 61 -34.145 -10.963 -21.669 819 2HB GLU 61 1HB GLU 61 -32.732 -10.630 -22.672 820 1HG GLU 61 2HG GLU 61 -34.750 -11.279 -24.500 821 2HG GLU 61 1HG GLU 61 -35.552 -10.270 -23.295 822 H TYR 62 H TYR 62 -31.425 -12.512 -24.339 823 HA TYR 62 HA TYR 62 -29.644 -13.619 -22.192 824 1HB TYR 62 2HB TYR 62 -29.636 -14.089 -25.192 825 2HB TYR 62 1HB TYR 62 -28.475 -14.775 -24.054 826 HD1 TYR 62 HD1 TYR 62 -29.900 -15.693 -21.792 827 HD2 TYR 62 HD2 TYR 62 -31.204 -15.680 -25.909 828 HE1 TYR 62 HE1 TYR 62 -31.477 -17.557 -21.298 829 HE2 TYR 62 HE2 TYR 62 -32.778 -17.548 -25.415 830 HH TYR 62 HH TYR 62 -32.727 -19.521 -23.401 831 H LEU 63 H LEU 63 -29.712 -10.971 -22.122 832 HA LEU 63 HA LEU 63 -27.620 -9.906 -23.971 833 1HB LEU 63 2HB LEU 63 -30.090 -8.976 -23.072 834 2HB LEU 63 1HB LEU 63 -28.926 -8.052 -22.123 835 HG LEU 63 HG LEU 63 -28.464 -8.370 -25.068 836 1HD1 LEU 63 2HD1 LEU 63 -30.872 -7.643 -24.669 837 2HD1 LEU 63 1HD1 LEU 63 -30.219 -6.203 -23.890 838 3HD1 LEU 63 3HD1 LEU 63 -29.887 -6.511 -25.595 839 1HD2 LEU 63 3HD2 LEU 63 -27.761 -6.440 -22.869 840 2HD2 LEU 63 2HD2 LEU 63 -26.695 -7.251 -24.017 841 3HD2 LEU 63 1HD2 LEU 63 -27.707 -5.908 -24.550 842 H GLU 64 H GLU 64 -25.572 -9.848 -23.141 843 HA GLU 64 HA GLU 64 -25.251 -9.428 -20.187 844 1HB GLU 64 2HB GLU 64 -24.834 -11.765 -21.050 845 2HB GLU 64 1HB GLU 64 -23.525 -11.106 -22.033 846 1HG GLU 64 2HG GLU 64 -22.179 -11.393 -20.248 847 2HG GLU 64 1HG GLU 64 -23.059 -10.072 -19.478 848 HA PRO 65 HA PRO 65 -23.052 -6.154 -22.765 849 1HB PRO 65 2HB PRO 65 -23.809 -4.286 -20.711 850 2HB PRO 65 1HB PRO 65 -24.360 -4.342 -22.388 851 1HG PRO 65 2HG PRO 65 -25.846 -5.004 -20.027 852 2HG PRO 65 1HG PRO 65 -26.388 -5.070 -21.706 853 1HD PRO 65 2HD PRO 65 -25.801 -7.300 -19.957 854 2HD PRO 65 1HD PRO 65 -26.338 -7.350 -21.655 855 H SER 66 H SER 66 -20.938 -6.770 -22.252 856 HA SER 66 HA SER 66 -19.993 -6.194 -19.461 857 1HB SER 66 2HB SER 66 -18.560 -8.090 -19.691 858 2HB SER 66 1HB SER 66 -20.112 -8.604 -20.346 859 HG SER 66 HG SER 66 -18.239 -9.078 -21.681 860 H LYS 67 H LYS 67 -20.092 -4.281 -21.673 861 HA LYS 67 HA LYS 67 -17.848 -3.864 -23.230 862 1HB LYS 67 2HB LYS 67 -19.536 -1.999 -21.554 863 2HB LYS 67 1HB LYS 67 -18.295 -1.389 -22.650 864 1HG LYS 67 2HG LYS 67 -19.372 -2.590 -24.527 865 2HG LYS 67 1HG LYS 67 -20.629 -3.160 -23.431 866 1HD LYS 67 2HD LYS 67 -21.631 -1.093 -23.278 867 2HD LYS 67 1HD LYS 67 -20.111 -0.224 -23.495 868 1HE LYS 67 2HE LYS 67 -20.104 -0.796 -25.895 869 2HE LYS 67 1HE LYS 67 -21.618 -1.697 -25.688 870 1HZ LYS 67 2HZ LYS 67 -22.615 0.340 -24.768 871 2HZ LYS 67 1HZ LYS 67 -21.188 1.190 -25.126 872 3HZ LYS 67 3HZ LYS 67 -22.124 0.539 -26.382 873 H LYS 68 H LYS 68 -15.905 -4.660 -22.261 874 HA LYS 68 HA LYS 68 -14.880 -3.051 -19.944 875 1HB LYS 68 2HB LYS 68 -13.524 -5.103 -19.482 876 2HB LYS 68 1HB LYS 68 -15.259 -5.422 -19.440 877 1HG LYS 68 2HG LYS 68 -15.217 -6.383 -21.645 878 2HG LYS 68 1HG LYS 68 -13.556 -5.852 -21.906 879 1HD LYS 68 2HD LYS 68 -12.674 -7.453 -20.446 880 2HD LYS 68 1HD LYS 68 -14.202 -7.655 -19.589 881 1HE LYS 68 2HE LYS 68 -15.169 -8.883 -21.418 882 2HE LYS 68 1HE LYS 68 -13.812 -8.474 -22.486 883 1HZ LYS 68 3HZ LYS 68 -13.528 -9.949 -19.923 884 2HZ LYS 68 2HZ LYS 68 -13.607 -10.702 -21.445 885 3HZ LYS 68 1HZ LYS 68 -12.315 -9.663 -21.074 886 H ILE 69 H ILE 69 -12.824 -2.114 -20.208 887 HA ILE 69 HA ILE 69 -11.835 -1.844 -22.941 888 HB ILE 69 HB ILE 69 -11.872 -0.048 -21.190 889 1HG1 ILE 69 2HG1 ILE 69 -9.304 0.499 -21.551 890 2HG1 ILE 69 1HG1 ILE 69 -9.386 -0.890 -22.636 891 1HG2 ILE 69 3HG2 ILE 69 -11.189 -1.581 -19.318 892 2HG2 ILE 69 2HG2 ILE 69 -9.561 -1.595 -19.989 893 3HG2 ILE 69 1HG2 ILE 69 -10.255 -0.091 -19.387 894 1HD1 ILE 69 3HD1 ILE 69 -11.340 0.181 -23.777 895 2HD1 ILE 69 2HD1 ILE 69 -11.104 1.604 -22.763 896 3HD1 ILE 69 1HD1 ILE 69 -9.857 1.126 -23.915 897 H VAL 70 H VAL 70 -9.877 -2.641 -23.757 898 HA VAL 70 HA VAL 70 -8.166 -4.348 -22.043 899 HB VAL 70 HB VAL 70 -9.321 -5.402 -24.641 900 1HG1 VAL 70 2HG1 VAL 70 -7.188 -6.333 -23.617 901 2HG1 VAL 70 1HG1 VAL 70 -8.171 -6.853 -22.247 902 3HG1 VAL 70 3HG1 VAL 70 -8.481 -7.511 -23.855 903 1HG2 VAL 70 3HG2 VAL 70 -10.363 -5.745 -21.809 904 2HG2 VAL 70 2HG2 VAL 70 -11.243 -5.107 -23.198 905 3HG2 VAL 70 1HG2 VAL 70 -10.804 -6.814 -23.142 906 H VAL 71 H VAL 71 -6.405 -2.995 -22.452 907 HA VAL 71 HA VAL 71 -5.147 -3.201 -25.073 908 HB VAL 71 HB VAL 71 -5.129 -0.505 -25.072 909 1HG1 VAL 71 1HG1 VAL 71 -6.102 -2.387 -26.697 910 2HG1 VAL 71 3HG1 VAL 71 -7.637 -1.737 -26.120 911 3HG1 VAL 71 2HG1 VAL 71 -6.479 -0.679 -26.927 912 1HG2 VAL 71 2HG2 VAL 71 -7.791 -1.245 -23.804 913 2HG2 VAL 71 1HG2 VAL 71 -6.536 -0.248 -23.074 914 3HG2 VAL 71 3HG2 VAL 71 -7.404 0.329 -24.496 915 H SER 72 H SER 72 -4.614 -0.301 -23.166 916 HA SER 72 HA SER 72 -2.279 -1.578 -21.815 917 1HB SER 72 2HB SER 72 -2.338 0.252 -24.091 918 2HB SER 72 1HB SER 72 -1.378 0.887 -22.759 919 HG SER 72 HG SER 72 -0.831 -1.129 -24.472 920 H THR 73 H THR 73 -2.087 -0.812 -19.731 921 HA THR 73 HA THR 73 -3.932 1.207 -18.717 922 HB THR 73 HB THR 73 -3.087 -0.799 -17.466 923 HG1 THR 73 HG1 THR 73 -3.351 0.316 -15.718 924 1HG2 THR 73 2HG2 THR 73 -0.477 0.745 -17.481 925 2HG2 THR 73 1HG2 THR 73 -0.790 -0.718 -16.547 926 3HG2 THR 73 3HG2 THR 73 -0.778 -0.783 -18.308 927 H LYS 74 H LYS 74 -0.513 1.119 -19.662 928 HA LYS 74 HA LYS 74 0.419 3.562 -18.602 929 1HB LYS 74 2HB LYS 74 1.320 1.599 -20.294 930 2HB LYS 74 1HB LYS 74 1.139 2.954 -21.407 931 1HG LYS 74 2HG LYS 74 2.650 3.083 -18.784 932 2HG LYS 74 1HG LYS 74 3.406 2.866 -20.363 933 1HD LYS 74 2HD LYS 74 1.701 5.058 -20.702 934 2HD LYS 74 1HD LYS 74 2.430 5.307 -19.115 935 1HE LYS 74 2HE LYS 74 4.426 5.846 -20.046 936 2HE LYS 74 1HE LYS 74 4.407 4.386 -21.056 937 1HZ LYS 74 2HZ LYS 74 2.835 5.469 -22.537 938 2HZ LYS 74 1HZ LYS 74 2.867 6.874 -21.584 939 3HZ LYS 74 3HZ LYS 74 4.259 6.387 -22.419 940 H TYR 75 H TYR 75 -1.643 2.893 -21.373 941 HA TYR 75 HA TYR 75 -1.714 5.621 -22.378 942 1HB TYR 75 2HB TYR 75 -2.343 4.202 -24.061 943 2HB TYR 75 1HB TYR 75 -2.803 2.940 -22.932 944 HD1 TYR 75 HD1 TYR 75 -4.118 6.437 -23.484 945 HD2 TYR 75 HD2 TYR 75 -4.959 2.198 -23.457 946 HE1 TYR 75 HE1 TYR 75 -6.522 6.910 -23.945 947 HE2 TYR 75 HE2 TYR 75 -7.358 2.672 -23.911 948 HH TYR 75 HH TYR 75 -8.525 5.269 -25.150 949 H LEU 76 H LEU 76 -3.524 3.687 -20.055 950 HA LEU 76 HA LEU 76 -5.723 5.556 -19.703 951 1HB LEU 76 2HB LEU 76 -4.620 3.077 -18.473 952 2HB LEU 76 1HB LEU 76 -5.633 4.074 -17.430 953 HG LEU 76 HG LEU 76 -7.039 4.051 -19.802 954 1HD1 LEU 76 2HD1 LEU 76 -5.727 1.369 -19.356 955 2HD1 LEU 76 1HD1 LEU 76 -7.200 1.574 -20.300 956 3HD1 LEU 76 3HD1 LEU 76 -5.704 2.345 -20.825 957 1HD2 LEU 76 2HD2 LEU 76 -7.227 2.875 -17.123 958 2HD2 LEU 76 1HD2 LEU 76 -8.467 3.686 -18.077 959 3HD2 LEU 76 3HD2 LEU 76 -8.133 1.973 -18.336 960 H GLN 77 H GLN 77 -2.566 5.034 -18.168 961 HA GLN 77 HA GLN 77 -2.994 6.939 -16.015 962 1HB GLN 77 2HB GLN 77 -1.037 5.037 -16.944 963 2HB GLN 77 1HB GLN 77 -0.235 6.564 -16.578 964 1HG GLN 77 2HG GLN 77 -0.364 5.102 -14.578 965 2HG GLN 77 1HG GLN 77 -1.266 6.600 -14.351 966 1HE2 GLN 77 2HE2 GLN 77 -3.695 3.432 -15.302 967 2HE2 GLN 77 1HE2 GLN 77 -2.351 3.782 -16.280 968 H GLN 78 H GLN 78 -1.329 7.049 -19.183 969 HA GLN 78 HA GLN 78 -0.262 9.678 -18.998 970 1HB GLN 78 2HB GLN 78 -1.060 7.729 -21.099 971 2HB GLN 78 1HB GLN 78 -0.905 9.404 -21.631 972 1HG GLN 78 2HG GLN 78 1.336 9.131 -20.087 973 2HG GLN 78 1HG GLN 78 1.183 7.507 -20.759 974 1HE2 GLN 78 2HE2 GLN 78 1.469 10.551 -23.519 975 2HE2 GLN 78 1HE2 GLN 78 0.515 10.781 -22.135 976 H LEU 79 H LEU 79 -3.495 8.497 -19.728 977 HA LEU 79 HA LEU 79 -4.614 11.035 -20.592 978 1HB LEU 79 2HB LEU 79 -5.437 8.262 -19.949 979 2HB LEU 79 1HB LEU 79 -6.690 9.476 -19.705 980 HG LEU 79 HG LEU 79 -6.615 8.432 -22.027 981 1HD1 LEU 79 2HD1 LEU 79 -6.314 11.416 -21.641 982 2HD1 LEU 79 1HD1 LEU 79 -6.845 10.682 -23.155 983 3HD1 LEU 79 3HD1 LEU 79 -7.810 10.483 -21.691 984 1HD2 LEU 79 3HD2 LEU 79 -4.125 8.422 -22.231 985 2HD2 LEU 79 2HD2 LEU 79 -4.902 9.262 -23.573 986 3HD2 LEU 79 1HD2 LEU 79 -4.146 10.184 -22.273 987 H GLN 80 H GLN 80 -4.494 9.222 -17.549 988 HA GLN 80 HA GLN 80 -6.149 10.992 -16.011 989 1HB GLN 80 2HB GLN 80 -4.625 8.591 -15.749 990 2HB GLN 80 1HB GLN 80 -4.142 9.671 -14.441 991 1HG GLN 80 2HG GLN 80 -6.084 9.308 -13.364 992 2HG GLN 80 1HG GLN 80 -7.007 9.762 -14.791 993 1HE2 GLN 80 1HE2 GLN 80 -6.435 7.779 -16.621 994 2HE2 GLN 80 2HE2 GLN 80 -6.876 6.256 -16.016 995 H LYS 81 H LYS 81 -2.627 10.810 -16.554 996 HA LYS 81 HA LYS 81 -2.050 13.088 -14.812 997 1HB LYS 81 2HB LYS 81 -0.601 11.024 -15.609 998 2HB LYS 81 1HB LYS 81 -0.252 12.057 -16.997 999 1HG LYS 81 2HG LYS 81 0.634 13.793 -15.567 1000 2HG LYS 81 1HG LYS 81 0.118 12.928 -14.119 1001 1HD LYS 81 2HD LYS 81 1.624 11.019 -15.382 1002 2HD LYS 81 1HD LYS 81 2.487 12.494 -15.820 1003 1HE LYS 81 2HE LYS 81 3.464 11.863 -13.746 1004 2HE LYS 81 1HE LYS 81 2.270 13.091 -13.280 1005 1HZ LYS 81 2HZ LYS 81 1.552 10.230 -13.488 1006 2HZ LYS 81 1HZ LYS 81 2.187 10.876 -12.050 1007 3HZ LYS 81 3HZ LYS 81 0.726 11.470 -12.672 1008 H ASP 82 H ASP 82 -2.470 12.546 -18.307 1009 HA ASP 82 HA ASP 82 -1.687 15.103 -19.258 1010 1HB ASP 82 2HB ASP 82 -3.559 12.903 -20.063 1011 2HB ASP 82 1HB ASP 82 -3.664 14.427 -20.932 1012 H LEU 83 H LEU 83 -4.844 13.906 -18.111 1013 HA LEU 83 HA LEU 83 -6.353 16.292 -18.370 1014 1HB LEU 83 2HB LEU 83 -7.287 14.082 -17.856 1015 2HB LEU 83 1HB LEU 83 -6.426 14.054 -16.318 1016 HG LEU 83 HG LEU 83 -8.152 16.416 -16.810 1017 1HD1 LEU 83 3HD1 LEU 83 -9.323 14.145 -17.551 1018 2HD1 LEU 83 2HD1 LEU 83 -9.505 13.943 -15.809 1019 3HD1 LEU 83 1HD1 LEU 83 -10.197 15.354 -16.610 1020 1HD2 LEU 83 3HD2 LEU 83 -7.264 14.674 -14.537 1021 2HD2 LEU 83 2HD2 LEU 83 -7.205 16.430 -14.686 1022 3HD2 LEU 83 1HD2 LEU 83 -8.737 15.624 -14.348 1023 H ASN 84 H ASN 84 -4.281 15.127 -15.704 1024 HA ASN 84 HA ASN 84 -4.798 17.252 -13.864 1025 1HB ASN 84 2HB ASN 84 -3.291 14.928 -14.033 1026 2HB ASN 84 1HB ASN 84 -2.066 16.189 -13.916 1027 1HD2 ASN 84 2HD2 ASN 84 -2.621 15.822 -10.402 1028 2HD2 ASN 84 1HD2 ASN 84 -1.590 15.399 -11.683 1029 H ASP 85 H ASP 85 -2.487 16.912 -16.540 1030 HA ASP 85 HA ASP 85 -0.977 19.300 -16.056 1031 1HB ASP 85 2HB ASP 85 -0.630 17.285 -17.674 1032 2HB ASP 85 1HB ASP 85 -1.661 18.189 -18.783 1033 H LYS 86 H LYS 86 -4.194 18.783 -17.257 1034 HA LYS 86 HA LYS 86 -4.431 21.398 -18.576 1035 1HB LYS 86 2HB LYS 86 -6.543 19.447 -17.583 1036 2HB LYS 86 1HB LYS 86 -6.773 20.712 -18.790 1037 1HG LYS 86 2HG LYS 86 -4.954 18.302 -19.062 1038 2HG LYS 86 1HG LYS 86 -6.487 18.546 -19.897 1039 1HD LYS 86 2HD LYS 86 -5.578 20.536 -21.019 1040 2HD LYS 86 1HD LYS 86 -4.047 20.325 -20.169 1041 1HE LYS 86 2HE LYS 86 -3.746 18.115 -21.248 1042 2HE LYS 86 1HE LYS 86 -5.275 18.343 -22.120 1043 1HZ LYS 86 1HZ LYS 86 -4.275 20.568 -22.817 1044 2HZ LYS 86 3HZ LYS 86 -2.783 19.921 -22.336 1045 3HZ LYS 86 2HZ LYS 86 -3.671 19.173 -23.577 1046 H THR 87 H THR 87 -4.928 19.944 -15.445 1047 HA THR 87 HA THR 87 -6.379 22.171 -14.251 1048 HB THR 87 HB THR 87 -4.959 19.655 -13.330 1049 HG1 THR 87 HG1 THR 87 -7.149 19.167 -12.746 1050 1HG2 THR 87 1HG2 THR 87 -5.580 21.994 -11.747 1051 2HG2 THR 87 3HG2 THR 87 -6.531 20.610 -11.208 1052 3HG2 THR 87 2HG2 THR 87 -4.771 20.504 -11.263 1053 H GLU 88 H GLU 88 -3.023 20.923 -14.189 1054 HA GLU 88 HA GLU 88 -1.884 22.946 -12.524 1055 1HB GLU 88 2HB GLU 88 -0.836 21.216 -14.786 1056 2HB GLU 88 1HB GLU 88 0.217 22.241 -13.809 1057 1HG GLU 88 2HG GLU 88 -0.611 21.080 -11.763 1058 2HG GLU 88 1HG GLU 88 -1.557 20.004 -12.790 1059 H GLU 89 H GLU 89 -2.623 22.790 -15.970 1060 HA GLU 89 HA GLU 89 -1.300 25.261 -16.716 1061 1HB GLU 89 2HB GLU 89 -3.115 23.226 -17.843 1062 2HB GLU 89 1HB GLU 89 -3.356 24.842 -18.507 1063 1HG GLU 89 2HG GLU 89 -0.709 24.823 -18.645 1064 2HG GLU 89 1HG GLU 89 -0.943 23.075 -18.653 1065 H ASN 90 H ASN 90 -4.706 24.395 -16.046 1066 HA ASN 90 HA ASN 90 -5.893 26.951 -16.256 1067 1HB ASN 90 2HB ASN 90 -6.442 24.323 -15.178 1068 2HB ASN 90 1HB ASN 90 -7.047 25.551 -14.067 1069 1HD2 ASN 90 2HD2 ASN 90 -9.318 24.740 -17.155 1070 2HD2 ASN 90 1HD2 ASN 90 -8.247 23.679 -16.375 1071 H ASN 91 H ASN 91 -3.846 25.556 -13.796 1072 HA ASN 91 HA ASN 91 -4.386 27.494 -11.703 1073 1HB ASN 91 2HB ASN 91 -2.668 25.177 -12.293 1074 2HB ASN 91 1HB ASN 91 -1.886 26.375 -11.265 1075 1HD2 ASN 91 2HD2 ASN 91 -5.149 24.327 -9.857 1076 2HD2 ASN 91 1HD2 ASN 91 -4.808 24.325 -11.520 1077 H ARG 92 H ARG 92 -2.058 27.194 -14.357 1078 HA ARG 92 HA ARG 92 -0.498 29.538 -13.535 1079 1HB ARG 92 2HB ARG 92 0.094 27.367 -14.928 1080 2HB ARG 92 1HB ARG 92 -0.500 28.332 -16.280 1081 1HG ARG 92 2HG ARG 92 1.146 29.997 -15.973 1082 2HG ARG 92 1HG ARG 92 1.523 29.444 -14.341 1083 1HD ARG 92 2HD ARG 92 2.524 27.389 -15.221 1084 2HD ARG 92 1HD ARG 92 2.067 27.850 -16.873 1085 HE ARG 92 HE ARG 92 3.746 29.555 -16.832 1086 1HH1 ARG 92 1HH2 ARG 92 3.342 30.711 -14.156 1087 2HH1 ARG 92 2HH2 ARG 92 4.750 30.196 -13.289 1088 1HH2 ARG 92 2HH1 ARG 92 5.566 27.709 -15.563 1089 2HH2 ARG 92 1HH1 ARG 92 6.009 28.496 -14.085 1090 H LEU 93 H LEU 93 -2.692 28.781 -16.273 1091 HA LEU 93 HA LEU 93 -2.792 31.298 -17.510 1092 1HB LEU 93 2HB LEU 93 -4.274 28.834 -17.421 1093 2HB LEU 93 1HB LEU 93 -5.414 30.179 -17.452 1094 HG LEU 93 HG LEU 93 -3.065 29.994 -19.349 1095 1HD1 LEU 93 3HD1 LEU 93 -4.537 28.032 -19.666 1096 2HD1 LEU 93 2HD1 LEU 93 -5.933 29.104 -19.791 1097 3HD1 LEU 93 1HD1 LEU 93 -4.670 29.152 -21.022 1098 1HD2 LEU 93 2HD2 LEU 93 -5.670 31.552 -19.393 1099 2HD2 LEU 93 1HD2 LEU 93 -4.080 32.220 -19.019 1100 3HD2 LEU 93 3HD2 LEU 93 -4.422 31.610 -20.638 1101 H LYS 94 H LYS 94 -4.233 30.223 -14.502 1102 HA LYS 94 HA LYS 94 -6.021 32.513 -14.193 1103 1HB LYS 94 2HB LYS 94 -6.441 30.302 -13.184 1104 2HB LYS 94 1HB LYS 94 -4.939 30.423 -12.268 1105 1HG LYS 94 2HG LYS 94 -5.782 32.347 -11.041 1106 2HG LYS 94 1HG LYS 94 -7.242 32.380 -12.031 1107 1HD LYS 94 2HD LYS 94 -7.768 30.061 -11.214 1108 2HD LYS 94 1HD LYS 94 -6.401 30.194 -10.108 1109 1HE LYS 94 2HE LYS 94 -7.433 31.905 -8.843 1110 2HE LYS 94 1HE LYS 94 -8.581 32.290 -10.141 1111 1HZ LYS 94 1HZ LYS 94 -9.369 29.923 -9.909 1112 2HZ LYS 94 3HZ LYS 94 -8.488 29.849 -8.461 1113 3HZ LYS 94 2HZ LYS 94 -9.766 30.957 -8.621 1114 H ALA 95 H ALA 95 -2.766 31.592 -13.106 1115 HA ALA 95 HA ALA 95 -2.479 34.070 -11.517 1116 1HB ALA 95 1HB ALA 95 -1.223 31.459 -11.804 1117 2HB ALA 95 3HB ALA 95 -0.017 32.745 -11.774 1118 3HB ALA 95 2HB ALA 95 -1.159 32.577 -10.441 1119 H LEU 96 H LEU 96 -1.986 33.076 -14.769 1120 HA LEU 96 HA LEU 96 0.215 34.956 -15.317 1121 1HB LEU 96 2HB LEU 96 -0.247 32.651 -16.373 1122 2HB LEU 96 1HB LEU 96 -1.533 33.453 -17.275 1123 HG LEU 96 HG LEU 96 0.248 35.161 -17.985 1124 1HD1 LEU 96 1HD1 LEU 96 1.798 33.977 -16.127 1125 2HD1 LEU 96 3HD1 LEU 96 2.271 33.023 -17.532 1126 3HD1 LEU 96 2HD1 LEU 96 2.470 34.775 -17.548 1127 1HD2 LEU 96 3HD2 LEU 96 -0.698 33.276 -19.398 1128 2HD2 LEU 96 2HD2 LEU 96 0.927 33.791 -19.850 1129 3HD2 LEU 96 1HD2 LEU 96 0.698 32.312 -18.918 1130 H LEU 97 H LEU 97 -3.273 34.915 -15.388 1131 HA LEU 97 HA LEU 97 -3.383 37.354 -17.082 1132 1HB LEU 97 2HB LEU 97 -5.523 35.578 -15.863 1133 2HB LEU 97 1HB LEU 97 -5.814 36.874 -17.023 1134 HG LEU 97 HG LEU 97 -4.059 34.456 -17.539 1135 1HD1 LEU 97 2HD1 LEU 97 -6.925 35.107 -18.225 1136 2HD1 LEU 97 1HD1 LEU 97 -5.981 33.993 -19.214 1137 3HD1 LEU 97 3HD1 LEU 97 -6.275 33.630 -17.513 1138 1HD2 LEU 97 3HD2 LEU 97 -4.437 37.015 -18.873 1139 2HD2 LEU 97 2HD2 LEU 97 -3.260 35.746 -19.213 1140 3HD2 LEU 97 1HD2 LEU 97 -4.868 35.672 -19.933 1141 H LEU 98 H LEU 98 -4.157 36.248 -13.784 1142 HA LEU 98 HA LEU 98 -5.269 38.783 -12.916 1143 1HB LEU 98 2HB LEU 98 -4.021 36.480 -11.383 1144 2HB LEU 98 1HB LEU 98 -5.084 37.712 -10.704 1145 HG LEU 98 HG LEU 98 -5.845 35.821 -12.943 1146 1HD1 LEU 98 2HD1 LEU 98 -5.491 34.852 -10.571 1147 2HD1 LEU 98 1HD1 LEU 98 -6.909 35.797 -10.117 1148 3HD1 LEU 98 3HD1 LEU 98 -7.044 34.540 -11.348 1149 1HD2 LEU 98 2HD2 LEU 98 -7.097 38.180 -11.665 1150 2HD2 LEU 98 1HD2 LEU 98 -7.362 37.497 -13.269 1151 3HD2 LEU 98 3HD2 LEU 98 -8.158 36.786 -11.866 1152 H GLU 99 H GLU 99 -2.065 37.522 -13.295 1153 HA GLU 99 HA GLU 99 -0.818 39.502 -11.501 1154 1HB GLU 99 2HB GLU 99 -0.119 37.058 -11.977 1155 2HB GLU 99 1HB GLU 99 0.531 37.679 -13.496 1156 1HG GLU 99 2HG GLU 99 1.829 39.376 -12.138 1157 2HG GLU 99 1HG GLU 99 1.322 38.503 -10.691 1158 H ARG 100 HN ARG 100 -1.426 39.049 -14.940 1159 HA ARG 100 HA ARG 100 0.382 41.189 -15.792 1160 1HB ARG 100 2HB ARG 100 -1.647 39.337 -16.998 1161 2HB ARG 100 1HB ARG 100 -1.130 40.743 -17.931 1162 1HG ARG 100 2HG ARG 100 1.141 39.397 -16.709 1163 2HG ARG 100 1HG ARG 100 0.218 38.297 -17.733 1164 1HD ARG 100 2HD ARG 100 0.695 41.007 -18.863 1165 2HD ARG 100 1HD ARG 100 2.115 39.950 -18.733 1166 HE ARG 100 HE ARG 100 0.361 38.210 -19.787 1167 1HH1 ARG 100 1HH1 ARG 100 -1.649 39.709 -20.920 1168 2HH1 ARG 100 2HH1 ARG 100 -1.018 40.377 -22.388 1169 1HH2 ARG 100 1HH2 ARG 100 2.296 39.860 -21.509 1170 2HH2 ARG 100 2HH2 ARG 100 1.216 40.462 -22.721 No H/Q in entry = 1170 Start of MODEL 5 1 1H MET 30 1H MET 30 1.528 -32.171 -24.253 2 2H MET 30 3H MET 30 2.415 -31.461 -22.995 3 3H MET 30 2H MET 30 2.551 -33.128 -23.293 4 HA MET 30 HA MET 30 0.439 -33.595 -22.442 5 1HB MET 30 2HB MET 30 2.177 -31.632 -21.028 6 2HB MET 30 1HB MET 30 0.596 -31.945 -20.310 7 1HG MET 30 2HG MET 30 1.468 -34.483 -20.961 8 2HG MET 30 1HG MET 30 2.957 -33.684 -20.458 9 1HE MET 30 3HE MET 30 3.556 -32.820 -18.570 10 2HE MET 30 2HE MET 30 2.866 -33.013 -16.962 11 3HE MET 30 1HE MET 30 3.533 -34.412 -17.801 12 H SER 31 H SER 31 0.533 -30.135 -21.641 13 HA SER 31 HA SER 31 -2.094 -29.801 -23.051 14 1HB SER 31 2HB SER 31 -1.204 -28.881 -20.302 15 2HB SER 31 1HB SER 31 -2.706 -28.372 -21.068 16 HG SER 31 HG SER 31 -1.899 -30.967 -20.271 17 H VAL 32 H VAL 32 0.504 -27.928 -21.423 18 HA VAL 32 HA VAL 32 0.430 -26.024 -23.739 19 HB VAL 32 HB VAL 32 0.686 -25.409 -20.777 20 1HG1 VAL 32 1HG1 VAL 32 1.823 -23.929 -22.636 21 2HG1 VAL 32 3HG1 VAL 32 0.172 -23.390 -22.940 22 3HG1 VAL 32 2HG1 VAL 32 0.896 -23.158 -21.349 23 1HG2 VAL 32 2HG2 VAL 32 -1.602 -25.854 -22.467 24 2HG2 VAL 32 1HG2 VAL 32 -1.567 -25.425 -20.757 25 3HG2 VAL 32 3HG2 VAL 32 -1.563 -24.158 -21.984 26 H ALA 33 H ALA 33 2.455 -25.496 -24.524 27 HA ALA 33 HA ALA 33 4.841 -26.280 -22.882 28 1HB ALA 33 2HB ALA 33 4.204 -26.723 -25.813 29 2HB ALA 33 1HB ALA 33 5.819 -26.942 -25.139 30 3HB ALA 33 3HB ALA 33 4.487 -27.954 -24.582 31 H CYS 34 H CYS 34 6.749 -24.959 -23.314 32 HA CYS 34 HA CYS 34 6.249 -22.176 -23.706 33 1HB CYS 34 2HB CYS 34 8.818 -23.754 -24.039 34 2HB CYS 34 1HB CYS 34 8.697 -22.033 -23.687 35 H LEU 35 H LEU 35 7.632 -20.963 -25.499 36 HA LEU 35 HA LEU 35 6.511 -21.615 -28.060 37 1HB LEU 35 2HB LEU 35 8.494 -19.707 -26.896 38 2HB LEU 35 1HB LEU 35 8.425 -19.859 -28.648 39 HG LEU 35 HG LEU 35 5.818 -19.631 -28.241 40 1HD1 LEU 35 1HD1 LEU 35 7.082 -18.349 -25.803 41 2HD1 LEU 35 3HD1 LEU 35 5.444 -17.996 -26.352 42 3HD1 LEU 35 2HD1 LEU 35 5.865 -19.625 -25.825 43 1HD2 LEU 35 2HD2 LEU 35 7.335 -18.072 -29.510 44 2HD2 LEU 35 1HD2 LEU 35 6.023 -17.248 -28.665 45 3HD2 LEU 35 3HD2 LEU 35 7.654 -17.228 -27.994 46 H SER 36 H SER 36 9.698 -22.096 -26.615 47 HA SER 36 HA SER 36 10.949 -23.202 -28.980 48 1HB SER 36 2HB SER 36 11.601 -22.480 -26.307 49 2HB SER 36 1HB SER 36 12.056 -24.172 -26.497 50 HG SER 36 HG SER 36 12.749 -22.061 -28.272 51 H CYS 37 H CYS 37 9.388 -24.615 -26.099 52 HA CYS 37 HA CYS 37 9.793 -27.369 -26.843 53 1HB CYS 37 2HB CYS 37 7.681 -26.023 -25.121 54 2HB CYS 37 1HB CYS 37 8.099 -27.736 -25.079 55 H ARG 38 H ARG 38 7.346 -24.948 -27.619 56 HA ARG 38 HA ARG 38 5.392 -26.780 -28.712 57 1HB ARG 38 2HB ARG 38 5.128 -24.362 -27.901 58 2HB ARG 38 1HB ARG 38 5.850 -23.873 -29.434 59 1HG ARG 38 2HG ARG 38 3.477 -23.820 -29.760 60 2HG ARG 38 1HG ARG 38 4.059 -25.267 -30.581 61 1HD ARG 38 2HD ARG 38 3.580 -26.385 -28.201 62 2HD ARG 38 1HD ARG 38 2.429 -25.041 -28.082 63 HE ARG 38 HE ARG 38 2.441 -27.043 -30.306 64 1HH1 ARG 38 2HH1 ARG 38 0.880 -25.608 -31.742 65 2HH1 ARG 38 1HH1 ARG 38 -0.650 -25.370 -30.965 66 1HH2 ARG 38 1HH2 ARG 38 0.498 -26.313 -27.832 67 2HH2 ARG 38 2HH2 ARG 38 -0.866 -25.769 -28.751 68 H LYS 39 H LYS 39 8.025 -24.831 -30.136 69 HA LYS 39 HA LYS 39 7.538 -25.431 -32.875 70 1HB LYS 39 2HB LYS 39 9.090 -23.713 -32.125 71 2HB LYS 39 1HB LYS 39 10.076 -24.913 -31.289 72 1HG LYS 39 2HG LYS 39 9.573 -25.278 -34.218 73 2HG LYS 39 1HG LYS 39 10.750 -24.063 -33.711 74 1HD LYS 39 2HD LYS 39 11.100 -26.515 -32.210 75 2HD LYS 39 1HD LYS 39 11.188 -26.830 -33.943 76 1HE LYS 39 2HE LYS 39 12.665 -24.509 -33.713 77 2HE LYS 39 1HE LYS 39 13.081 -25.375 -32.221 78 1HZ LYS 39 2HZ LYS 39 13.305 -27.409 -33.659 79 2HZ LYS 39 1HZ LYS 39 13.243 -26.377 -35.008 80 3HZ LYS 39 3HZ LYS 39 14.504 -26.227 -33.885 81 H ARG 40 H ARG 40 9.175 -27.245 -30.319 82 HA ARG 40 HA ARG 40 9.854 -29.438 -32.224 83 1HB ARG 40 2HB ARG 40 10.514 -28.902 -29.310 84 2HB ARG 40 1HB ARG 40 11.155 -30.246 -30.256 85 1HG ARG 40 2HG ARG 40 11.837 -28.294 -31.917 86 2HG ARG 40 1HG ARG 40 11.762 -27.328 -30.444 87 1HD ARG 40 2HD ARG 40 13.289 -29.001 -29.338 88 2HD ARG 40 1HD ARG 40 13.472 -29.793 -30.917 89 HE ARG 40 HE ARG 40 13.925 -26.920 -31.058 90 1HH1 ARG 40 1HH2 ARG 40 15.388 -28.928 -32.717 91 2HH1 ARG 40 2HH2 ARG 40 16.967 -28.914 -32.004 92 1HH2 ARG 40 2HH1 ARG 40 15.927 -27.353 -29.088 93 2HH2 ARG 40 1HH1 ARG 40 17.272 -28.022 -29.950 94 H HIS 41 H HIS 41 7.329 -28.517 -30.183 95 HA HIS 41 HA HIS 41 5.503 -29.675 -29.262 96 1HB HIS 41 2HB HIS 41 6.546 -31.282 -31.556 97 2HB HIS 41 1HB HIS 41 5.338 -32.034 -30.518 98 HD1 HIS 41 HD1 HIS 41 5.500 -30.099 -33.473 99 HD2 HIS 41 HD2 HIS 41 3.074 -29.942 -30.086 100 HE1 HIS 41 HE1 HIS 41 3.436 -28.787 -34.131 101 H ILE 42 H ILE 42 7.472 -29.742 -27.487 102 HA ILE 42 HA ILE 42 8.057 -32.589 -26.806 103 HB ILE 42 HB ILE 42 9.129 -29.975 -25.693 104 1HG1 ILE 42 2HG1 ILE 42 9.670 -30.233 -28.080 105 2HG1 ILE 42 1HG1 ILE 42 11.115 -30.472 -27.098 106 1HG2 ILE 42 3HG2 ILE 42 9.689 -32.873 -25.204 107 2HG2 ILE 42 2HG2 ILE 42 11.048 -31.750 -25.170 108 3HG2 ILE 42 1HG2 ILE 42 9.690 -31.523 -24.067 109 1HD1 ILE 42 1HD1 ILE 42 10.306 -33.011 -27.168 110 2HD1 ILE 42 3HD1 ILE 42 9.531 -32.470 -28.657 111 3HD1 ILE 42 2HD1 ILE 42 11.278 -32.325 -28.470 112 H LYS 43 H LYS 43 7.920 -33.080 -24.403 113 HA LYS 43 HA LYS 43 5.297 -32.246 -23.373 114 1HB LYS 43 2HB LYS 43 6.235 -34.588 -23.366 115 2HB LYS 43 1HB LYS 43 7.428 -34.048 -22.183 116 1HG LYS 43 2HG LYS 43 5.901 -33.953 -20.488 117 2HG LYS 43 1HG LYS 43 4.612 -33.380 -21.548 118 1HD LYS 43 2HD LYS 43 5.651 -36.211 -21.699 119 2HD LYS 43 1HD LYS 43 4.352 -35.754 -20.598 120 1HE LYS 43 2HE LYS 43 2.966 -34.997 -22.450 121 2HE LYS 43 1HE LYS 43 4.294 -35.264 -23.597 122 1HZ LYS 43 1HZ LYS 43 4.347 -37.607 -22.799 123 2HZ LYS 43 3HZ LYS 43 2.917 -37.306 -21.937 124 3HZ LYS 43 2HZ LYS 43 2.925 -37.197 -23.633 125 H CYS 44 H CYS 44 5.632 -30.023 -22.757 126 HA CYS 44 HA CYS 44 7.842 -29.136 -21.144 127 1HB CYS 44 2HB CYS 44 6.012 -27.926 -22.629 128 2HB CYS 44 1HB CYS 44 5.132 -27.847 -21.102 129 HA PRO 45 HA PRO 45 6.504 -30.852 -17.233 130 1HB PRO 45 2HB PRO 45 7.868 -28.783 -15.772 131 2HB PRO 45 1HB PRO 45 8.391 -30.448 -16.044 132 1HG PRO 45 2HG PRO 45 9.495 -28.071 -17.183 133 2HG PRO 45 1HG PRO 45 9.965 -29.742 -17.506 134 1HD PRO 45 2HD PRO 45 8.522 -27.921 -19.239 135 2HD PRO 45 1HD PRO 45 9.075 -29.576 -19.594 136 H GLY 46 H GLY 46 6.323 -27.358 -17.853 137 1HA GLY 46 2HA GLY 46 4.216 -26.152 -17.657 138 2HA GLY 46 1HA GLY 46 3.700 -27.325 -16.447 139 H GLY 47 H GLY 47 6.561 -25.213 -16.828 140 1HA GLY 47 2HA GLY 47 5.944 -24.080 -14.136 141 2HA GLY 47 1HA GLY 47 7.568 -24.676 -14.484 142 H ASN 48 H ASN 48 7.192 -22.007 -13.773 143 HA ASN 48 HA ASN 48 7.865 -20.636 -16.348 144 1HB ASN 48 2HB ASN 48 5.713 -20.151 -14.406 145 2HB ASN 48 1HB ASN 48 6.638 -18.704 -14.817 146 1HD2 ASN 48 2HD2 ASN 48 5.870 -19.223 -18.418 147 2HD2 ASN 48 1HD2 ASN 48 7.279 -19.089 -17.479 148 HA PRO 49 HA PRO 49 9.662 -20.384 -17.127 149 1HB PRO 49 2HB PRO 49 12.254 -21.496 -16.597 150 2HB PRO 49 1HB PRO 49 11.875 -20.028 -17.495 151 1HG PRO 49 2HG PRO 49 13.120 -20.211 -14.943 152 2HG PRO 49 1HG PRO 49 12.626 -18.746 -15.793 153 1HD PRO 49 2HD PRO 49 11.401 -19.989 -13.456 154 2HD PRO 49 1HD PRO 49 11.020 -18.419 -14.205 155 H CYS 50 H CYS 50 9.959 -22.611 -18.097 156 HA CYS 50 HA CYS 50 8.860 -24.678 -16.345 157 1HB CYS 50 2HB CYS 50 8.817 -25.953 -18.456 158 2HB CYS 50 1HB CYS 50 8.204 -24.322 -18.718 159 H GLN 51 H GLN 51 10.607 -26.682 -18.044 160 HA GLN 51 HA GLN 51 13.142 -26.373 -16.488 161 1HB GLN 51 2HB GLN 51 11.397 -27.823 -15.355 162 2HB GLN 51 1HB GLN 51 11.533 -28.929 -16.723 163 1HG GLN 51 2HG GLN 51 13.251 -29.899 -15.632 164 2HG GLN 51 1HG GLN 51 14.178 -28.437 -15.972 165 1HE2 GLN 51 2HE2 GLN 51 13.502 -27.040 -12.671 166 2HE2 GLN 51 1HE2 GLN 51 13.572 -26.551 -14.295 167 H LYS 52 H LYS 52 11.437 -28.041 -19.140 168 HA LYS 52 HA LYS 52 13.672 -29.403 -20.262 169 1HB LYS 52 2HB LYS 52 11.042 -28.337 -21.261 170 2HB LYS 52 1HB LYS 52 12.167 -29.106 -22.383 171 1HG LYS 52 2HG LYS 52 11.271 -30.404 -19.798 172 2HG LYS 52 1HG LYS 52 10.457 -30.669 -21.341 173 1HD LYS 52 2HD LYS 52 11.956 -32.319 -21.702 174 2HD LYS 52 1HD LYS 52 13.148 -31.041 -21.947 175 1HE LYS 52 2HE LYS 52 13.130 -31.157 -19.226 176 2HE LYS 52 1HE LYS 52 12.788 -32.852 -19.627 177 1HZ LYS 52 2HZ LYS 52 14.890 -31.306 -21.025 178 2HZ LYS 52 1HZ LYS 52 15.221 -32.160 -19.594 179 3HZ LYS 52 3HZ LYS 52 14.682 -32.991 -20.970 180 H CYS 53 H CYS 53 12.719 -26.038 -20.447 181 HA CYS 53 HA CYS 53 14.654 -25.494 -22.636 182 1HB CYS 53 2HB CYS 53 12.391 -24.185 -21.239 183 2HB CYS 53 1HB CYS 53 13.586 -23.132 -21.983 184 H VAL 54 H VAL 54 14.027 -24.719 -19.222 185 HA VAL 54 HA VAL 54 16.222 -22.917 -18.871 186 HB VAL 54 HB VAL 54 15.161 -24.800 -16.746 187 1HG1 VAL 54 3HG1 VAL 54 16.950 -22.670 -16.711 188 2HG1 VAL 54 2HG1 VAL 54 15.441 -21.954 -16.139 189 3HG1 VAL 54 1HG1 VAL 54 16.129 -23.353 -15.308 190 1HG2 VAL 54 2HG2 VAL 54 13.781 -22.414 -17.994 191 2HG2 VAL 54 1HG2 VAL 54 13.124 -24.028 -17.720 192 3HG2 VAL 54 3HG2 VAL 54 13.419 -22.955 -16.355 193 H THR 55 H THR 55 15.873 -26.387 -18.827 194 HA THR 55 HA THR 55 18.505 -26.981 -17.768 195 HB THR 55 HB THR 55 16.460 -28.413 -17.644 196 HG1 THR 55 HG1 THR 55 18.714 -29.218 -17.642 197 1HG2 THR 55 1HG2 THR 55 15.839 -27.823 -20.063 198 2HG2 THR 55 3HG2 THR 55 16.968 -29.092 -20.532 199 3HG2 THR 55 2HG2 THR 55 15.560 -29.483 -19.543 200 H SER 56 H SER 56 17.066 -26.725 -21.009 201 HA SER 56 HA SER 56 19.549 -27.595 -22.326 202 1HB SER 56 2HB SER 56 16.850 -26.543 -23.210 203 2HB SER 56 1HB SER 56 18.136 -26.898 -24.358 204 HG SER 56 HG SER 56 18.000 -29.002 -23.883 205 H ASN 57 H ASN 57 17.687 -24.741 -23.249 206 HA ASN 57 HA ASN 57 19.281 -22.683 -22.238 207 1HB ASN 57 2HB ASN 57 20.670 -22.249 -24.358 208 2HB ASN 57 1HB ASN 57 21.192 -23.579 -23.338 209 1HD2 ASN 57 2HD2 ASN 57 20.599 -26.040 -25.806 210 2HD2 ASN 57 1HD2 ASN 57 21.130 -25.708 -24.229 211 H ALA 58 H ALA 58 16.595 -23.160 -23.012 212 HA ALA 58 HA ALA 58 16.234 -21.121 -25.191 213 1HB ALA 58 2HB ALA 58 14.919 -23.725 -24.519 214 2HB ALA 58 1HB ALA 58 13.939 -22.472 -25.281 215 3HB ALA 58 3HB ALA 58 15.380 -23.081 -26.095 216 H ILE 59 H ILE 59 14.369 -19.700 -24.922 217 HA ILE 59 HA ILE 59 13.924 -18.878 -22.167 218 HB ILE 59 HB ILE 59 12.603 -18.001 -24.754 219 1HG1 ILE 59 2HG1 ILE 59 15.075 -16.886 -23.387 220 2HG1 ILE 59 1HG1 ILE 59 15.106 -17.903 -24.831 221 1HG2 ILE 59 3HG2 ILE 59 12.270 -17.241 -22.009 222 2HG2 ILE 59 2HG2 ILE 59 12.998 -15.893 -22.884 223 3HG2 ILE 59 1HG2 ILE 59 11.470 -16.578 -23.434 224 1HD1 ILE 59 3HD1 ILE 59 13.246 -15.910 -25.439 225 2HD1 ILE 59 2HD1 ILE 59 14.537 -15.054 -24.595 226 3HD1 ILE 59 1HD1 ILE 59 14.903 -16.004 -26.035 227 H CYS 60 H CYS 60 12.058 -19.195 -20.987 228 HA CYS 60 HA CYS 60 10.076 -21.129 -22.110 229 1HB CYS 60 2HB CYS 60 10.524 -20.421 -19.201 230 2HB CYS 60 1HB CYS 60 9.810 -21.882 -19.867 231 H GLU 61 H GLU 61 8.190 -20.133 -22.734 232 HA GLU 61 HA GLU 61 7.004 -18.087 -20.923 233 1HB GLU 61 2HB GLU 61 7.878 -17.765 -23.789 234 2HB GLU 61 1HB GLU 61 6.555 -16.788 -23.151 235 1HG GLU 61 2HG GLU 61 8.010 -15.972 -21.343 236 2HG GLU 61 1HG GLU 61 9.335 -16.969 -21.949 237 H TYR 62 H TYR 62 4.690 -17.688 -21.489 238 HA TYR 62 HA TYR 62 3.459 -19.878 -23.116 239 1HB TYR 62 2HB TYR 62 2.760 -18.949 -20.313 240 2HB TYR 62 1HB TYR 62 1.768 -20.059 -21.257 241 HD1 TYR 62 HD1 TYR 62 3.822 -21.714 -22.620 242 HD2 TYR 62 HD2 TYR 62 3.647 -20.264 -18.557 243 HE1 TYR 62 HE1 TYR 62 5.247 -23.618 -21.878 244 HE2 TYR 62 HE2 TYR 62 5.072 -22.171 -17.816 245 HH TYR 62 HH TYR 62 5.500 -24.669 -18.866 246 H LEU 63 H LEU 63 2.088 -17.300 -21.076 247 HA LEU 63 HA LEU 63 1.054 -15.951 -23.538 248 1HB LEU 63 2HB LEU 63 -0.370 -17.580 -21.680 249 2HB LEU 63 1HB LEU 63 -0.898 -15.915 -21.432 250 HG LEU 63 HG LEU 63 -0.850 -16.032 -24.157 251 1HD1 LEU 63 2HD1 LEU 63 -1.058 -18.787 -23.106 252 2HD1 LEU 63 1HD1 LEU 63 -2.299 -18.347 -24.279 253 3HD1 LEU 63 3HD1 LEU 63 -0.593 -18.228 -24.712 254 1HD2 LEU 63 2HD2 LEU 63 -2.870 -16.243 -22.024 255 2HD2 LEU 63 1HD2 LEU 63 -2.847 -15.206 -23.450 256 3HD2 LEU 63 3HD2 LEU 63 -3.411 -16.872 -23.580 257 H GLU 64 H GLU 64 2.068 -13.965 -23.334 258 HA GLU 64 HA GLU 64 1.368 -12.248 -21.073 259 1HB GLU 64 2HB GLU 64 3.729 -11.978 -20.329 260 2HB GLU 64 1HB GLU 64 3.168 -13.638 -20.126 261 1HG GLU 64 2HG GLU 64 4.137 -13.777 -22.655 262 2HG GLU 64 1HG GLU 64 5.207 -12.547 -21.982 263 HA PRO 65 HA PRO 65 2.311 -10.271 -25.227 264 1HB PRO 65 2HB PRO 65 0.052 -8.563 -24.722 265 2HB PRO 65 1HB PRO 65 0.218 -9.808 -25.963 266 1HG PRO 65 2HG PRO 65 -1.416 -9.885 -23.611 267 2HG PRO 65 1HG PRO 65 -1.225 -11.138 -24.842 268 1HD PRO 65 2HD PRO 65 -0.210 -11.158 -22.127 269 2HD PRO 65 1HD PRO 65 -0.036 -12.418 -23.375 270 H SER 66 H SER 66 0.658 -8.165 -22.857 271 HA SER 66 HA SER 66 3.093 -6.926 -21.884 272 1HB SER 66 2HB SER 66 2.636 -6.267 -24.418 273 2HB SER 66 1HB SER 66 1.506 -5.131 -23.685 274 HG SER 66 HG SER 66 4.187 -5.412 -22.817 275 H LYS 67 H LYS 67 2.612 -5.604 -20.117 276 HA LYS 67 HA LYS 67 0.216 -5.798 -18.713 277 1HB LYS 67 2HB LYS 67 2.620 -4.721 -18.252 278 2HB LYS 67 1HB LYS 67 1.741 -3.229 -18.591 279 1HG LYS 67 2HG LYS 67 -0.017 -4.542 -16.942 280 2HG LYS 67 1HG LYS 67 1.537 -5.041 -16.275 281 1HD LYS 67 2HD LYS 67 1.459 -2.189 -16.940 282 2HD LYS 67 1HD LYS 67 0.251 -2.643 -15.738 283 1HE LYS 67 2HE LYS 67 2.814 -3.937 -15.203 284 2HE LYS 67 1HE LYS 67 2.954 -2.166 -15.219 285 1HZ LYS 67 1HZ LYS 67 0.908 -2.105 -13.837 286 2HZ LYS 67 3HZ LYS 67 0.992 -3.793 -13.691 287 3HZ LYS 67 2HZ LYS 67 2.233 -2.824 -13.052 288 H LYS 68 H LYS 68 -1.628 -5.487 -20.059 289 HA LYS 68 HA LYS 68 -2.027 -2.725 -21.147 290 1HB LYS 68 2HB LYS 68 -3.033 -5.488 -21.816 291 2HB LYS 68 1HB LYS 68 -3.923 -4.066 -22.363 292 1HG LYS 68 2HG LYS 68 -1.666 -3.222 -23.277 293 2HG LYS 68 1HG LYS 68 -1.093 -4.874 -23.041 294 1HD LYS 68 2HD LYS 68 -2.854 -5.734 -24.496 295 2HD LYS 68 1HD LYS 68 -3.534 -4.116 -24.672 296 1HE LYS 68 2HE LYS 68 -1.339 -3.373 -25.671 297 2HE LYS 68 1HE LYS 68 -0.825 -5.072 -25.656 298 1HZ LYS 68 2HZ LYS 68 -3.357 -4.117 -26.880 299 2HZ LYS 68 1HZ LYS 68 -1.929 -4.383 -27.761 300 3HZ LYS 68 3HZ LYS 68 -2.695 -5.678 -26.980 301 H ILE 69 H ILE 69 -3.927 -1.585 -20.518 302 HA ILE 69 HA ILE 69 -4.991 -2.113 -17.910 303 HB ILE 69 HB ILE 69 -4.879 0.092 -19.047 304 1HG1 ILE 69 2HG1 ILE 69 -7.310 0.757 -18.539 305 2HG1 ILE 69 1HG1 ILE 69 -7.564 -0.941 -18.137 306 1HG2 ILE 69 2HG2 ILE 69 -5.614 -0.942 -21.291 307 2HG2 ILE 69 1HG2 ILE 69 -7.258 -0.792 -20.675 308 3HG2 ILE 69 3HG2 ILE 69 -6.263 0.648 -20.888 309 1HD1 ILE 69 2HD1 ILE 69 -5.349 -0.541 -16.697 310 2HD1 ILE 69 1HD1 ILE 69 -5.936 1.121 -16.719 311 3HD1 ILE 69 3HD1 ILE 69 -6.947 -0.162 -16.055 312 H VAL 70 H VAL 70 -7.037 -2.951 -17.302 313 HA VAL 70 HA VAL 70 -8.831 -4.040 -19.385 314 HB VAL 70 HB VAL 70 -7.809 -5.868 -17.208 315 1HG1 VAL 70 2HG1 VAL 70 -9.928 -6.168 -18.743 316 2HG1 VAL 70 1HG1 VAL 70 -8.736 -6.637 -19.957 317 3HG1 VAL 70 3HG1 VAL 70 -8.860 -7.542 -18.446 318 1HG2 VAL 70 3HG2 VAL 70 -6.652 -5.476 -19.992 319 2HG2 VAL 70 2HG2 VAL 70 -5.812 -5.226 -18.461 320 3HG2 VAL 70 1HG2 VAL 70 -6.287 -6.852 -18.949 321 H VAL 71 H VAL 71 -10.266 -2.448 -18.436 322 HA VAL 71 HA VAL 71 -11.677 -3.435 -16.039 323 HB VAL 71 HB VAL 71 -11.407 -1.167 -14.947 324 1HG1 VAL 71 2HG1 VAL 71 -9.939 -3.234 -14.500 325 2HG1 VAL 71 1HG1 VAL 71 -8.717 -2.430 -15.484 326 3HG1 VAL 71 3HG1 VAL 71 -9.293 -1.672 -13.999 327 1HG2 VAL 71 3HG2 VAL 71 -10.167 -0.640 -17.504 328 2HG2 VAL 71 2HG2 VAL 71 -10.573 0.496 -16.217 329 3HG2 VAL 71 1HG2 VAL 71 -9.016 -0.333 -16.204 330 H SER 72 H SER 72 -13.226 -1.161 -15.546 331 HA SER 72 HA SER 72 -15.174 -1.244 -17.658 332 1HB SER 72 2HB SER 72 -15.532 -0.784 -15.209 333 2HB SER 72 1HB SER 72 -14.769 0.787 -15.437 334 HG SER 72 HG SER 72 -16.453 1.448 -16.614 335 H THR 73 H THR 73 -14.595 -0.400 -19.658 336 HA THR 73 HA THR 73 -12.716 1.662 -20.150 337 HB THR 73 HB THR 73 -13.661 0.054 -21.800 338 HG1 THR 73 HG1 THR 73 -13.483 1.465 -23.401 339 1HG2 THR 73 1HG2 THR 73 -16.039 0.465 -20.802 340 2HG2 THR 73 3HG2 THR 73 -16.102 1.800 -21.953 341 3HG2 THR 73 2HG2 THR 73 -15.882 0.147 -22.531 342 H LYS 74 H LYS 74 -16.196 1.862 -19.439 343 HA LYS 74 HA LYS 74 -16.698 4.550 -20.100 344 1HB LYS 74 2HB LYS 74 -18.358 2.901 -19.302 345 2HB LYS 74 1HB LYS 74 -17.623 2.948 -17.700 346 1HG LYS 74 2HG LYS 74 -18.119 5.638 -18.411 347 2HG LYS 74 1HG LYS 74 -19.576 4.740 -18.837 348 1HD LYS 74 2HD LYS 74 -19.050 3.636 -16.423 349 2HD LYS 74 1HD LYS 74 -18.381 5.248 -16.167 350 1HE LYS 74 2HE LYS 74 -20.820 5.705 -17.481 351 2HE LYS 74 1HE LYS 74 -21.171 4.438 -16.288 352 1HZ LYS 74 3HZ LYS 74 -19.814 5.809 -14.690 353 2HZ LYS 74 2HZ LYS 74 -19.894 7.073 -15.823 354 3HZ LYS 74 1HZ LYS 74 -21.317 6.466 -15.122 355 H TYR 75 H TYR 75 -15.145 3.204 -17.202 356 HA TYR 75 HA TYR 75 -14.881 5.673 -15.767 357 1HB TYR 75 2HB TYR 75 -14.446 3.914 -14.375 358 2HB TYR 75 1HB TYR 75 -13.958 2.877 -15.701 359 HD1 TYR 75 HD1 TYR 75 -12.353 6.153 -14.749 360 HD2 TYR 75 HD2 TYR 75 -12.039 1.843 -14.778 361 HE1 TYR 75 HE1 TYR 75 -9.984 6.319 -14.006 362 HE2 TYR 75 HE2 TYR 75 -9.670 2.014 -14.040 363 HH TYR 75 HH TYR 75 -8.336 4.229 -12.606 364 H LEU 76 H LEU 76 -12.433 3.892 -17.720 365 HA LEU 76 HA LEU 76 -10.477 5.943 -17.745 366 1HB LEU 76 2HB LEU 76 -11.252 3.633 -19.494 367 2HB LEU 76 1HB LEU 76 -10.034 4.757 -20.085 368 HG LEU 76 HG LEU 76 -8.964 2.901 -18.889 369 1HD1 LEU 76 2HD1 LEU 76 -8.290 5.462 -18.640 370 2HD1 LEU 76 1HD1 LEU 76 -8.747 5.182 -16.958 371 3HD1 LEU 76 3HD1 LEU 76 -7.469 4.216 -17.698 372 1HD2 LEU 76 1HD2 LEU 76 -10.879 2.369 -17.416 373 2HD2 LEU 76 3HD2 LEU 76 -9.393 2.583 -16.488 374 3HD2 LEU 76 2HD2 LEU 76 -10.599 3.869 -16.532 375 H GLN 77 H GLN 77 -13.162 5.340 -20.037 376 HA GLN 77 HA GLN 77 -12.689 7.356 -21.924 377 1HB GLN 77 2HB GLN 77 -14.777 5.618 -21.084 378 2HB GLN 77 1HB GLN 77 -15.483 7.225 -21.237 379 1HG GLN 77 2HG GLN 77 -15.673 6.534 -23.430 380 2HG GLN 77 1HG GLN 77 -14.052 7.228 -23.493 381 1HE2 GLN 77 2HE2 GLN 77 -12.450 3.963 -23.476 382 2HE2 GLN 77 1HE2 GLN 77 -12.254 5.520 -22.827 383 H GLN 78 H GLN 78 -14.308 7.622 -18.758 384 HA GLN 78 HA GLN 78 -15.109 10.343 -18.930 385 1HB GLN 78 2HB GLN 78 -15.811 8.722 -17.203 386 2HB GLN 78 1HB GLN 78 -14.168 8.686 -16.563 387 1HG GLN 78 2HG GLN 78 -14.805 10.380 -15.209 388 2HG GLN 78 1HG GLN 78 -14.766 11.399 -16.649 389 1HE2 GLN 78 2HE2 GLN 78 -18.351 11.294 -17.093 390 2HE2 GLN 78 1HE2 GLN 78 -16.901 11.372 -17.973 391 H LEU 79 H LEU 79 -11.980 8.869 -18.147 392 HA LEU 79 HA LEU 79 -10.741 11.330 -17.206 393 1HB LEU 79 2HB LEU 79 -9.829 8.593 -18.103 394 2HB LEU 79 1HB LEU 79 -8.648 9.846 -17.747 395 HG LEU 79 HG LEU 79 -9.298 8.229 -15.841 396 1HD1 LEU 79 3HD1 LEU 79 -9.456 11.227 -15.480 397 2HD1 LEU 79 2HD1 LEU 79 -9.194 10.068 -14.174 398 3HD1 LEU 79 1HD1 LEU 79 -7.996 10.239 -15.457 399 1HD2 LEU 79 2HD2 LEU 79 -11.774 8.471 -16.270 400 2HD2 LEU 79 1HD2 LEU 79 -11.290 8.729 -14.595 401 3HD2 LEU 79 3HD2 LEU 79 -11.657 10.110 -15.631 402 H GLN 80 H GLN 80 -11.513 10.045 -20.321 403 HA GLN 80 HA GLN 80 -9.419 11.473 -21.774 404 1HB GLN 80 2HB GLN 80 -11.978 10.378 -22.939 405 2HB GLN 80 1HB GLN 80 -10.385 10.453 -23.657 406 1HG GLN 80 2HG GLN 80 -10.939 8.682 -21.288 407 2HG GLN 80 1HG GLN 80 -11.211 8.143 -22.925 408 1HE2 GLN 80 2HE2 GLN 80 -7.561 7.826 -21.488 409 2HE2 GLN 80 1HE2 GLN 80 -8.970 7.945 -20.553 410 H LYS 81 H LYS 81 -12.984 11.723 -21.501 411 HA LYS 81 HA LYS 81 -13.105 14.297 -22.842 412 1HB LYS 81 2HB LYS 81 -14.951 12.643 -22.773 413 2HB LYS 81 1HB LYS 81 -15.054 12.837 -21.023 414 1HG LYS 81 2HG LYS 81 -16.016 14.928 -21.168 415 2HG LYS 81 1HG LYS 81 -15.219 15.304 -22.696 416 1HD LYS 81 2HD LYS 81 -17.143 13.051 -22.780 417 2HD LYS 81 1HD LYS 81 -17.847 14.646 -22.513 418 1HE LYS 81 2HE LYS 81 -16.693 15.506 -24.522 419 2HE LYS 81 1HE LYS 81 -15.981 13.902 -24.796 420 1HZ LYS 81 3HZ LYS 81 -18.891 14.489 -24.612 421 2HZ LYS 81 2HZ LYS 81 -18.044 14.173 -26.051 422 3HZ LYS 81 1HZ LYS 81 -18.202 12.961 -24.871 423 H ASP 82 H ASP 82 -13.186 13.248 -19.413 424 HA ASP 82 HA ASP 82 -13.631 15.784 -18.215 425 1HB ASP 82 2HB ASP 82 -13.520 13.517 -17.106 426 2HB ASP 82 1HB ASP 82 -11.765 13.577 -17.271 427 H LEU 83 H LEU 83 -10.678 14.260 -19.455 428 HA LEU 83 HA LEU 83 -8.775 16.219 -18.641 429 1HB LEU 83 2HB LEU 83 -8.181 14.042 -19.574 430 2HB LEU 83 1HB LEU 83 -8.987 14.439 -21.090 431 HG LEU 83 HG LEU 83 -6.917 16.361 -20.183 432 1HD1 LEU 83 3HD1 LEU 83 -6.198 13.785 -19.879 433 2HD1 LEU 83 2HD1 LEU 83 -5.891 13.957 -21.608 434 3HD1 LEU 83 1HD1 LEU 83 -5.080 15.017 -20.458 435 1HD2 LEU 83 2HD2 LEU 83 -7.850 15.116 -22.770 436 2HD2 LEU 83 1HD2 LEU 83 -7.906 16.811 -22.285 437 3HD2 LEU 83 3HD2 LEU 83 -6.362 16.059 -22.691 438 H ASN 84 H ASN 84 -10.779 15.971 -21.594 439 HA ASN 84 HA ASN 84 -9.815 18.394 -22.814 440 1HB ASN 84 2HB ASN 84 -11.484 16.263 -23.409 441 2HB ASN 84 1HB ASN 84 -12.590 17.632 -23.361 442 1HD2 ASN 84 2HD2 ASN 84 -11.429 18.976 -26.405 443 2HD2 ASN 84 1HD2 ASN 84 -12.571 19.043 -25.150 444 H ASP 85 H ASP 85 -12.440 17.669 -20.536 445 HA ASP 85 HA ASP 85 -13.754 20.207 -20.602 446 1HB ASP 85 2HB ASP 85 -13.916 17.772 -19.223 447 2HB ASP 85 1HB ASP 85 -13.572 18.955 -17.960 448 H LYS 86 H LYS 86 -10.768 19.111 -19.157 449 HA LYS 86 HA LYS 86 -10.397 21.457 -17.443 450 1HB LYS 86 2HB LYS 86 -8.521 19.307 -18.498 451 2HB LYS 86 1HB LYS 86 -8.116 20.457 -17.224 452 1HG LYS 86 2HG LYS 86 -10.468 18.556 -17.071 453 2HG LYS 86 1HG LYS 86 -8.884 18.205 -16.380 454 1HD LYS 86 2HD LYS 86 -9.094 20.428 -15.131 455 2HD LYS 86 1HD LYS 86 -10.789 20.427 -15.622 456 1HE LYS 86 2HE LYS 86 -10.579 17.895 -14.642 457 2HE LYS 86 1HE LYS 86 -9.419 18.744 -13.601 458 1HZ LYS 86 1HZ LYS 86 -12.105 19.836 -14.215 459 2HZ LYS 86 3HZ LYS 86 -11.823 18.838 -12.872 460 3HZ LYS 86 2HZ LYS 86 -11.026 20.333 -12.999 461 H THR 87 H THR 87 -9.796 20.494 -20.727 462 HA THR 87 HA THR 87 -7.922 22.647 -21.374 463 HB THR 87 HB THR 87 -9.542 21.007 -23.322 464 HG1 THR 87 HG1 THR 87 -7.489 20.114 -21.595 465 1HG2 THR 87 3HG2 THR 87 -7.495 22.766 -23.644 466 2HG2 THR 87 2HG2 THR 87 -6.600 21.255 -23.481 467 3HG2 THR 87 1HG2 THR 87 -7.817 21.428 -24.747 468 H GLU 88 H GLU 88 -11.372 21.899 -21.805 469 HA GLU 88 HA GLU 88 -12.044 24.251 -23.338 470 1HB GLU 88 2HB GLU 88 -13.297 21.938 -22.115 471 2HB GLU 88 1HB GLU 88 -14.255 23.384 -21.797 472 1HG GLU 88 2HG GLU 88 -14.799 23.673 -23.995 473 2HG GLU 88 1HG GLU 88 -13.228 23.108 -24.564 474 H GLU 89 H GLU 89 -11.878 23.449 -19.906 475 HA GLU 89 HA GLU 89 -13.028 25.916 -18.915 476 1HB GLU 89 2HB GLU 89 -11.653 23.505 -17.945 477 2HB GLU 89 1HB GLU 89 -11.275 24.943 -16.997 478 1HG GLU 89 2HG GLU 89 -14.070 23.968 -17.662 479 2HG GLU 89 1HG GLU 89 -13.268 23.782 -16.102 480 H ASN 90 H ASN 90 -9.681 24.741 -19.346 481 HA ASN 90 HA ASN 90 -8.258 27.050 -18.539 482 1HB ASN 90 2HB ASN 90 -7.867 24.593 -20.027 483 2HB ASN 90 1HB ASN 90 -6.982 25.906 -20.801 484 1HD2 ASN 90 2HD2 ASN 90 -5.200 24.262 -17.753 485 2HD2 ASN 90 1HD2 ASN 90 -6.222 23.514 -18.882 486 H ASN 91 H ASN 91 -10.108 26.355 -21.421 487 HA ASN 91 HA ASN 91 -9.097 28.556 -23.035 488 1HB ASN 91 2HB ASN 91 -11.064 26.365 -23.126 489 2HB ASN 91 1HB ASN 91 -11.585 27.802 -24.002 490 1HD2 ASN 91 2HD2 ASN 91 -8.404 25.627 -25.376 491 2HD2 ASN 91 1HD2 ASN 91 -9.046 25.318 -23.835 492 H ARG 92 H ARG 92 -11.837 28.032 -20.838 493 HA ARG 92 HA ARG 92 -13.047 30.645 -21.389 494 1HB ARG 92 2HB ARG 92 -14.141 28.441 -20.612 495 2HB ARG 92 1HB ARG 92 -13.498 28.830 -19.016 496 1HG ARG 92 2HG ARG 92 -14.979 30.533 -18.688 497 2HG ARG 92 1HG ARG 92 -14.913 31.044 -20.375 498 1HD ARG 92 2HD ARG 92 -16.175 28.705 -20.740 499 2HD ARG 92 1HD ARG 92 -16.704 29.035 -19.078 500 HE ARG 92 HE ARG 92 -17.255 31.406 -20.050 501 1HH1 ARG 92 1HH2 ARG 92 -17.316 31.777 -22.612 502 2HH1 ARG 92 2HH2 ARG 92 -18.578 30.837 -23.335 503 1HH2 ARG 92 2HH1 ARG 92 -18.936 28.731 -20.603 504 2HH2 ARG 92 1HH1 ARG 92 -19.496 29.112 -22.197 505 H LEU 93 H LEU 93 -11.295 29.175 -18.626 506 HA LEU 93 HA LEU 93 -11.161 31.374 -16.891 507 1HB LEU 93 2HB LEU 93 -10.349 29.107 -16.399 508 2HB LEU 93 1HB LEU 93 -9.064 29.291 -17.594 509 HG LEU 93 HG LEU 93 -8.424 31.408 -16.183 510 1HD1 LEU 93 2HD1 LEU 93 -10.542 31.123 -14.776 511 2HD1 LEU 93 1HD1 LEU 93 -9.749 29.730 -14.042 512 3HD1 LEU 93 3HD1 LEU 93 -9.041 31.336 -13.874 513 1HD2 LEU 93 1HD2 LEU 93 -7.599 28.716 -16.226 514 2HD2 LEU 93 3HD2 LEU 93 -6.679 30.093 -15.619 515 3HD2 LEU 93 2HD2 LEU 93 -7.684 29.150 -14.519 516 H LYS 94 H LYS 94 -9.383 30.749 -19.864 517 HA LYS 94 HA LYS 94 -7.461 32.910 -19.537 518 1HB LYS 94 2HB LYS 94 -7.121 30.887 -20.941 519 2HB LYS 94 1HB LYS 94 -8.455 31.392 -21.978 520 1HG LYS 94 2HG LYS 94 -7.093 33.623 -22.191 521 2HG LYS 94 1HG LYS 94 -5.734 32.632 -21.661 522 1HD LYS 94 2HD LYS 94 -6.259 31.016 -23.501 523 2HD LYS 94 1HD LYS 94 -7.502 32.130 -24.072 524 1HE LYS 94 2HE LYS 94 -5.797 32.981 -25.350 525 2HE LYS 94 1HE LYS 94 -5.333 33.807 -23.848 526 1HZ LYS 94 2HZ LYS 94 -4.466 31.060 -24.577 527 2HZ LYS 94 1HZ LYS 94 -3.518 32.448 -24.824 528 3HZ LYS 94 3HZ LYS 94 -3.938 31.979 -23.249 529 H ALA 95 H ALA 95 -10.611 32.500 -21.143 530 HA ALA 95 HA ALA 95 -10.557 35.295 -22.129 531 1HB ALA 95 3HB ALA 95 -12.194 32.819 -22.475 532 2HB ALA 95 2HB ALA 95 -12.986 34.364 -22.788 533 3HB ALA 95 1HB ALA 95 -11.545 33.911 -23.698 534 H LEU 96 H LEU 96 -11.368 33.762 -19.234 535 HA LEU 96 HA LEU 96 -13.662 35.535 -18.610 536 1HB LEU 96 2HB LEU 96 -13.449 33.038 -18.058 537 2HB LEU 96 1HB LEU 96 -12.248 33.510 -16.857 538 HG LEU 96 HG LEU 96 -14.136 35.220 -16.121 539 1HD1 LEU 96 1HD1 LEU 96 -15.503 33.229 -17.866 540 2HD1 LEU 96 3HD1 LEU 96 -16.316 33.661 -16.361 541 3HD1 LEU 96 2HD1 LEU 96 -15.919 34.911 -17.540 542 1HD2 LEU 96 3HD2 LEU 96 -13.972 32.261 -15.512 543 2HD2 LEU 96 2HD2 LEU 96 -13.310 33.601 -14.576 544 3HD2 LEU 96 1HD2 LEU 96 -15.053 33.339 -14.629 545 H LEU 97 H LEU 97 -10.227 35.252 -18.066 546 HA LEU 97 HA LEU 97 -10.306 37.301 -15.905 547 1HB LEU 97 2HB LEU 97 -8.048 35.619 -17.042 548 2HB LEU 97 1HB LEU 97 -7.973 36.597 -15.575 549 HG LEU 97 HG LEU 97 -9.833 34.244 -16.029 550 1HD1 LEU 97 1HD1 LEU 97 -7.182 34.090 -15.508 551 2HD1 LEU 97 3HD1 LEU 97 -7.798 34.273 -13.865 552 3HD1 LEU 97 2HD1 LEU 97 -8.352 32.935 -14.872 553 1HD2 LEU 97 3HD2 LEU 97 -9.808 36.448 -14.115 554 2HD2 LEU 97 2HD2 LEU 97 -11.049 35.226 -14.394 555 3HD2 LEU 97 1HD2 LEU 97 -9.699 34.881 -13.312 556 H LEU 98 H LEU 98 -9.083 36.744 -19.196 557 HA LEU 98 HA LEU 98 -7.600 39.229 -19.370 558 1HB LEU 98 2HB LEU 98 -8.823 37.433 -21.490 559 2HB LEU 98 1HB LEU 98 -7.561 38.632 -21.767 560 HG LEU 98 HG LEU 98 -7.303 36.307 -19.847 561 1HD1 LEU 98 1HD1 LEU 98 -7.477 35.729 -22.342 562 2HD1 LEU 98 3HD1 LEU 98 -5.957 36.601 -22.541 563 3HD1 LEU 98 2HD1 LEU 98 -6.025 35.171 -21.511 564 1HD2 LEU 98 1HD2 LEU 98 -5.528 38.556 -20.752 565 2HD2 LEU 98 3HD2 LEU 98 -5.767 37.911 -19.127 566 3HD2 LEU 98 2HD2 LEU 98 -4.801 37.014 -20.298 567 H GLU 99 H GLU 99 -10.937 38.344 -19.703 568 HA GLU 99 HA GLU 99 -11.806 40.577 -21.330 569 1HB GLU 99 2HB GLU 99 -12.858 38.228 -20.504 570 2HB GLU 99 1HB GLU 99 -13.618 39.308 -19.336 571 1HG GLU 99 2HG GLU 99 -14.664 40.592 -21.035 572 2HG GLU 99 1HG GLU 99 -13.630 39.914 -22.294 573 H ARG 100 HN ARG 100 -11.090 40.176 -17.931 574 HA ARG 100 HA ARG 100 -11.907 43.021 -17.476 575 1HB ARG 100 2HB ARG 100 -12.977 40.568 -16.364 576 2HB ARG 100 1HB ARG 100 -12.303 41.577 -15.084 577 1HG ARG 100 2HG ARG 100 -13.952 42.954 -17.145 578 2HG ARG 100 1HG ARG 100 -14.807 41.914 -16.006 579 1HD ARG 100 2HD ARG 100 -12.854 43.505 -14.583 580 2HD ARG 100 1HD ARG 100 -13.922 44.555 -15.533 581 HE ARG 100 HE ARG 100 -14.882 42.524 -13.556 582 1HH1 ARG 100 1HH1 ARG 100 -16.419 43.808 -16.056 583 2HH1 ARG 100 2HH1 ARG 100 -17.469 44.876 -15.186 584 1HH2 ARG 100 1HH2 ARG 100 -15.751 44.554 -12.192 585 2HH2 ARG 100 2HH2 ARG 100 -17.090 45.299 -12.998 586 1H MET 30 1H MET 30 -25.499 2.288 4.950 587 2H MET 30 3H MET 30 -26.336 0.812 4.964 588 3H MET 30 2H MET 30 -25.209 1.160 6.187 589 HA MET 30 HA MET 30 -24.013 -0.265 4.813 590 1HB MET 30 2HB MET 30 -24.267 -0.140 2.365 591 2HB MET 30 1HB MET 30 -25.846 -0.273 3.136 592 1HG MET 30 2HG MET 30 -25.283 2.489 3.034 593 2HG MET 30 1HG MET 30 -24.814 1.851 1.460 594 1HE MET 30 1HE MET 30 -26.881 3.741 2.837 595 2HE MET 30 3HE MET 30 -27.513 3.845 1.189 596 3HE MET 30 2HE MET 30 -28.578 3.390 2.517 597 H SER 31 H SER 31 -21.838 0.166 4.353 598 HA SER 31 HA SER 31 -21.084 3.062 4.187 599 1HB SER 31 2HB SER 31 -19.573 0.611 5.145 600 2HB SER 31 1HB SER 31 -18.967 2.263 5.202 601 HG SER 31 HG SER 31 -19.932 2.294 7.071 602 H VAL 32 H VAL 32 -21.650 0.783 2.023 603 HA VAL 32 HA VAL 32 -20.768 0.233 -0.098 604 HB VAL 32 HB VAL 32 -19.415 2.888 0.480 605 1HG1 VAL 32 1HG1 VAL 32 -19.910 1.428 -2.132 606 2HG1 VAL 32 3HG1 VAL 32 -19.299 3.076 -1.996 607 3HG1 VAL 32 2HG1 VAL 32 -18.338 1.726 -1.391 608 1HG2 VAL 32 1HG2 VAL 32 -22.135 2.215 0.162 609 2HG2 VAL 32 3HG2 VAL 32 -21.432 3.832 0.115 610 3HG2 VAL 32 2HG2 VAL 32 -21.638 2.917 -1.378 611 H ALA 33 H ALA 33 -19.470 -1.597 0.356 612 HA ALA 33 HA ALA 33 -16.545 -1.030 0.683 613 1HB ALA 33 2HB ALA 33 -17.640 -1.707 2.821 614 2HB ALA 33 1HB ALA 33 -18.177 -3.198 2.046 615 3HB ALA 33 3HB ALA 33 -16.456 -2.895 2.278 616 H CYS 34 H CYS 34 -15.264 -3.106 0.097 617 HA CYS 34 HA CYS 34 -15.992 -3.971 -2.556 618 1HB CYS 34 2HB CYS 34 -13.997 -5.083 -0.559 619 2HB CYS 34 1HB CYS 34 -13.972 -5.357 -2.298 620 H LEU 35 H LEU 35 -15.818 -6.557 -2.902 621 HA LEU 35 HA LEU 35 -18.166 -7.687 -1.591 622 1HB LEU 35 2HB LEU 35 -16.335 -8.253 -3.828 623 2HB LEU 35 1HB LEU 35 -16.968 -9.695 -3.038 624 HG LEU 35 HG LEU 35 -19.021 -7.653 -3.453 625 1HD1 LEU 35 3HD1 LEU 35 -17.289 -7.548 -5.479 626 2HD1 LEU 35 2HD1 LEU 35 -18.160 -8.995 -5.983 627 3HD1 LEU 35 1HD1 LEU 35 -19.029 -7.477 -5.759 628 1HD2 LEU 35 1HD2 LEU 35 -18.811 -10.423 -3.154 629 2HD2 LEU 35 3HD2 LEU 35 -20.283 -9.528 -3.528 630 3HD2 LEU 35 2HD2 LEU 35 -19.310 -10.209 -4.832 631 H SER 36 H SER 36 -14.687 -8.011 -1.337 632 HA SER 36 HA SER 36 -14.734 -10.369 0.376 633 1HB SER 36 2HB SER 36 -12.880 -9.099 -1.144 634 2HB SER 36 1HB SER 36 -12.474 -8.428 0.433 635 HG SER 36 HG SER 36 -12.068 -10.924 -0.562 636 H CYS 37 H CYS 37 -14.371 -6.858 0.877 637 HA CYS 37 HA CYS 37 -14.080 -6.928 3.727 638 1HB CYS 37 2HB CYS 37 -15.280 -4.819 1.897 639 2HB CYS 37 1HB CYS 37 -14.638 -4.536 3.514 640 H ARG 38 H ARG 38 -16.870 -7.064 1.579 641 HA ARG 38 HA ARG 38 -18.880 -6.498 3.593 642 1HB ARG 38 2HB ARG 38 -18.719 -7.573 0.802 643 2HB ARG 38 1HB ARG 38 -20.222 -7.808 1.694 644 1HG ARG 38 2HG ARG 38 -18.877 -5.109 1.483 645 2HG ARG 38 1HG ARG 38 -20.068 -5.664 0.306 646 1HD ARG 38 2HD ARG 38 -21.700 -6.015 2.167 647 2HD ARG 38 1HD ARG 38 -20.512 -5.329 3.293 648 HE ARG 38 HE ARG 38 -20.658 -3.468 1.231 649 1HH1 ARG 38 1HH1 ARG 38 -23.567 -3.219 3.854 650 2HH1 ARG 38 2HH1 ARG 38 -22.171 -4.210 4.120 651 1HH2 ARG 38 1HH2 ARG 38 -22.764 -2.512 0.555 652 2HH2 ARG 38 2HH2 ARG 38 -23.902 -2.258 1.835 653 H LYS 39 H LYS 39 -17.472 -9.482 2.239 654 HA LYS 39 HA LYS 39 -19.136 -11.385 3.522 655 1HB LYS 39 2HB LYS 39 -17.500 -11.877 1.756 656 2HB LYS 39 1HB LYS 39 -16.177 -11.440 2.838 657 1HG LYS 39 2HG LYS 39 -18.069 -13.481 3.868 658 2HG LYS 39 1HG LYS 39 -17.048 -13.987 2.522 659 1HD LYS 39 2HD LYS 39 -15.047 -13.206 3.773 660 2HD LYS 39 1HD LYS 39 -16.087 -12.779 5.132 661 1HE LYS 39 2HE LYS 39 -15.443 -14.926 5.774 662 2HE LYS 39 1HE LYS 39 -16.895 -15.317 4.832 663 1HZ LYS 39 3HZ LYS 39 -14.237 -15.042 3.561 664 2HZ LYS 39 2HZ LYS 39 -14.768 -16.525 4.196 665 3HZ LYS 39 1HZ LYS 39 -15.630 -15.781 2.937 666 H ARG 40 H ARG 40 -16.189 -9.745 4.685 667 HA ARG 40 HA ARG 40 -16.544 -11.015 7.362 668 1HB ARG 40 2HB ARG 40 -14.317 -9.372 6.120 669 2HB ARG 40 1HB ARG 40 -14.235 -10.167 7.693 670 1HG ARG 40 2HG ARG 40 -14.759 -12.338 6.476 671 2HG ARG 40 1HG ARG 40 -14.483 -11.457 4.973 672 1HD ARG 40 2HD ARG 40 -12.200 -11.260 5.349 673 2HD ARG 40 1HD ARG 40 -12.389 -11.275 7.114 674 HE ARG 40 HE ARG 40 -12.925 -13.735 5.495 675 1HH1 ARG 40 2HH1 ARG 40 -13.429 -14.139 8.294 676 2HH1 ARG 40 1HH1 ARG 40 -11.901 -14.631 8.943 677 1HH2 ARG 40 1HH2 ARG 40 -10.075 -13.464 6.236 678 2HH2 ARG 40 2HH2 ARG 40 -10.002 -14.249 7.778 679 H HIS 41 H HIS 41 -17.730 -8.374 5.844 680 HA HIS 41 HA HIS 41 -18.528 -6.285 6.565 681 1HB HIS 41 2HB HIS 41 -18.194 -7.719 9.222 682 2HB HIS 41 1HB HIS 41 -19.204 -6.302 8.944 683 HD1 HIS 41 HD1 HIS 41 -21.588 -6.938 8.677 684 HD2 HIS 41 HD2 HIS 41 -19.054 -9.841 7.088 685 HE1 HIS 41 HE1 HIS 41 -23.080 -8.752 7.732 686 H ILE 42 H ILE 42 -16.066 -5.824 5.876 687 HA ILE 42 HA ILE 42 -14.515 -4.816 8.216 688 HB ILE 42 HB ILE 42 -13.760 -5.111 5.291 689 1HG1 ILE 42 2HG1 ILE 42 -13.139 -6.982 7.596 690 2HG1 ILE 42 1HG1 ILE 42 -14.428 -7.264 6.426 691 1HG2 ILE 42 3HG2 ILE 42 -12.463 -3.576 6.977 692 2HG2 ILE 42 2HG2 ILE 42 -11.876 -5.105 7.633 693 3HG2 ILE 42 1HG2 ILE 42 -11.557 -4.687 5.950 694 1HD1 ILE 42 1HD1 ILE 42 -12.301 -6.721 4.780 695 2HD1 ILE 42 3HD1 ILE 42 -11.514 -7.566 6.113 696 3HD1 ILE 42 2HD1 ILE 42 -12.827 -8.343 5.230 697 H LYS 43 H LYS 43 -13.984 -2.622 8.372 698 HA LYS 43 HA LYS 43 -15.742 -0.711 7.080 699 1HB LYS 43 2HB LYS 43 -13.492 -0.750 9.039 700 2HB LYS 43 1HB LYS 43 -13.844 0.792 8.259 701 1HG LYS 43 2HG LYS 43 -16.326 0.255 8.878 702 2HG LYS 43 1HG LYS 43 -15.614 -0.870 10.036 703 1HD LYS 43 2HD LYS 43 -14.154 1.549 10.259 704 2HD LYS 43 1HD LYS 43 -15.862 1.990 10.236 705 1HE LYS 43 2HE LYS 43 -16.186 1.150 12.319 706 2HE LYS 43 1HE LYS 43 -15.362 -0.365 11.902 707 1HZ LYS 43 1HZ LYS 43 -13.877 2.166 12.280 708 2HZ LYS 43 3HZ LYS 43 -14.209 1.134 13.584 709 3HZ LYS 43 2HZ LYS 43 -13.271 0.579 12.281 710 H CYS 44 H CYS 44 -15.234 -1.085 4.782 711 HA CYS 44 HA CYS 44 -12.632 -0.877 3.642 712 1HB CYS 44 2HB CYS 44 -14.926 -1.644 2.697 713 2HB CYS 44 1HB CYS 44 -15.187 0.062 2.338 714 HA PRO 45 HA PRO 45 -11.855 3.486 4.270 715 1HB PRO 45 2HB PRO 45 -10.128 3.594 1.973 716 2HB PRO 45 1HB PRO 45 -9.668 3.509 3.676 717 1HG PRO 45 2HG PRO 45 -9.416 1.461 1.696 718 2HG PRO 45 1HG PRO 45 -9.009 1.361 3.411 719 1HD PRO 45 2HD PRO 45 -11.234 0.124 2.029 720 2HD PRO 45 1HD PRO 45 -10.781 -0.030 3.744 721 H GLY 46 H GLY 46 -12.041 2.503 0.821 722 1HA GLY 46 2HA GLY 46 -14.158 3.286 -0.366 723 2HA GLY 46 1HA GLY 46 -13.827 4.859 0.360 724 H GLY 47 H GLY 47 -12.611 2.489 -1.965 725 1HA GLY 47 2HA GLY 47 -11.672 4.576 -3.733 726 2HA GLY 47 1HA GLY 47 -10.324 3.782 -2.917 727 H ASN 48 H ASN 48 -10.407 3.514 -5.620 728 HA ASN 48 HA ASN 48 -11.167 0.642 -5.949 729 1HB ASN 48 2HB ASN 48 -12.183 3.042 -7.312 730 2HB ASN 48 1HB ASN 48 -11.673 1.760 -8.411 731 1HD2 ASN 48 2HD2 ASN 48 -14.002 -0.602 -6.708 732 2HD2 ASN 48 1HD2 ASN 48 -12.324 -0.544 -6.972 733 HA PRO 49 HA PRO 49 -10.002 -0.979 -5.842 734 1HB PRO 49 2HB PRO 49 -7.408 -1.399 -4.687 735 2HB PRO 49 1HB PRO 49 -8.253 -2.430 -5.839 736 1HG PRO 49 2HG PRO 49 -5.943 -0.834 -6.319 737 2HG PRO 49 1HG PRO 49 -6.854 -1.787 -7.492 738 1HD PRO 49 2HD PRO 49 -6.762 1.107 -7.197 739 2HD PRO 49 1HD PRO 49 -7.564 0.148 -8.466 740 H CYS 50 H CYS 50 -9.915 -1.291 -3.375 741 HA CYS 50 HA CYS 50 -9.993 1.330 -2.048 742 1HB CYS 50 2HB CYS 50 -10.940 -0.018 -0.212 743 2HB CYS 50 1HB CYS 50 -11.707 -0.448 -1.739 744 H GLN 51 H GLN 51 -9.107 -0.353 0.500 745 HA GLN 51 HA GLN 51 -6.172 -0.315 -0.044 746 1HB GLN 51 2HB GLN 51 -7.205 1.868 0.895 747 2HB GLN 51 1HB GLN 51 -7.395 0.965 2.399 748 1HG GLN 51 2HG GLN 51 -5.260 1.540 2.859 749 2HG GLN 51 1HG GLN 51 -4.793 0.382 1.612 750 1HE2 GLN 51 2HE2 GLN 51 -3.874 2.872 -0.738 751 2HE2 GLN 51 1HE2 GLN 51 -4.129 1.216 -0.467 752 H LYS 52 H LYS 52 -8.791 -1.181 2.219 753 HA LYS 52 HA LYS 52 -7.263 -2.762 4.027 754 1HB LYS 52 2HB LYS 52 -10.110 -2.554 3.128 755 2HB LYS 52 1HB LYS 52 -9.659 -3.925 4.146 756 1HG LYS 52 2HG LYS 52 -8.596 -1.326 5.056 757 2HG LYS 52 1HG LYS 52 -10.355 -1.458 5.110 758 1HD LYS 52 2HD LYS 52 -10.147 -2.628 7.021 759 2HD LYS 52 1HD LYS 52 -9.380 -3.915 6.090 760 1HE LYS 52 2HE LYS 52 -7.267 -3.337 6.785 761 2HE LYS 52 1HE LYS 52 -7.643 -1.602 6.813 762 1HZ LYS 52 3HZ LYS 52 -9.036 -1.970 8.755 763 2HZ LYS 52 2HZ LYS 52 -8.659 -3.627 8.740 764 3HZ LYS 52 1HZ LYS 52 -7.448 -2.480 9.064 765 H CYS 53 H CYS 53 -8.413 -3.462 0.800 766 HA CYS 53 HA CYS 53 -7.795 -6.357 1.092 767 1HB CYS 53 2HB CYS 53 -9.171 -4.526 -0.812 768 2HB CYS 53 1HB CYS 53 -8.632 -6.093 -1.400 769 H VAL 54 H VAL 54 -6.809 -3.465 -0.728 770 HA VAL 54 HA VAL 54 -4.831 -4.732 -2.360 771 HB VAL 54 HB VAL 54 -4.662 -1.904 -1.275 772 1HG1 VAL 54 3HG1 VAL 54 -3.125 -3.287 -3.091 773 2HG1 VAL 54 2HG1 VAL 54 -4.283 -2.465 -4.142 774 3HG1 VAL 54 1HG1 VAL 54 -3.276 -1.530 -3.033 775 1HG2 VAL 54 1HG2 VAL 54 -6.581 -3.028 -3.327 776 2HG2 VAL 54 3HG2 VAL 54 -6.957 -2.022 -1.928 777 3HG2 VAL 54 2HG2 VAL 54 -6.116 -1.329 -3.309 778 H THR 55 H THR 55 -4.889 -3.530 0.911 779 HA THR 55 HA THR 55 -2.029 -3.686 1.376 780 HB THR 55 HB THR 55 -3.671 -2.198 2.533 781 HG1 THR 55 HG1 THR 55 -2.873 -2.744 4.686 782 1HG2 THR 55 2HG2 THR 55 -5.384 -4.117 2.644 783 2HG2 THR 55 1HG2 THR 55 -4.528 -4.618 4.099 784 3HG2 THR 55 3HG2 THR 55 -5.289 -3.028 4.024 785 H SER 56 H SER 56 -4.832 -5.792 1.969 786 HA SER 56 HA SER 56 -3.201 -7.779 3.400 787 1HB SER 56 2HB SER 56 -6.057 -7.374 2.591 788 2HB SER 56 1HB SER 56 -5.534 -9.010 2.981 789 HG SER 56 HG SER 56 -5.605 -8.446 4.994 790 H ASN 57 H ASN 57 -5.465 -8.536 0.798 791 HA ASN 57 HA ASN 57 -3.708 -9.077 -1.308 792 1HB ASN 57 2HB ASN 57 -3.547 -11.619 -0.971 793 2HB ASN 57 1HB ASN 57 -2.523 -10.630 0.055 794 1HD2 ASN 57 2HD2 ASN 57 -3.863 -12.452 2.784 795 2HD2 ASN 57 1HD2 ASN 57 -2.476 -12.084 1.876 796 H ALA 58 H ALA 58 -6.397 -8.282 -0.884 797 HA ALA 58 HA ALA 58 -7.895 -10.510 -2.233 798 1HB ALA 58 3HB ALA 58 -8.551 -8.563 -0.057 799 2HB ALA 58 2HB ALA 58 -9.855 -9.078 -1.126 800 3HB ALA 58 1HB ALA 58 -8.960 -10.273 -0.187 801 H ILE 59 H ILE 59 -9.536 -9.779 -3.793 802 HA ILE 59 HA ILE 59 -8.622 -7.530 -5.415 803 HB ILE 59 HB ILE 59 -11.031 -9.363 -5.635 804 1HG1 ILE 59 2HG1 ILE 59 -8.316 -9.590 -6.969 805 2HG1 ILE 59 1HG1 ILE 59 -8.792 -10.521 -5.546 806 1HG2 ILE 59 1HG2 ILE 59 -10.007 -7.140 -7.238 807 2HG2 ILE 59 3HG2 ILE 59 -10.173 -8.626 -8.173 808 3HG2 ILE 59 2HG2 ILE 59 -11.567 -7.959 -7.324 809 1HD1 ILE 59 3HD1 ILE 59 -10.913 -11.045 -7.119 810 2HD1 ILE 59 2HD1 ILE 59 -9.699 -10.778 -8.370 811 3HD1 ILE 59 1HD1 ILE 59 -9.449 -12.028 -7.152 812 H CYS 60 H CYS 60 -9.728 -5.599 -5.682 813 HA CYS 60 HA CYS 60 -11.907 -5.035 -3.713 814 1HB CYS 60 2HB CYS 60 -10.164 -2.995 -5.107 815 2HB CYS 60 1HB CYS 60 -11.018 -2.844 -3.580 816 H GLU 61 H GLU 61 -13.904 -4.733 -4.636 817 HA GLU 61 HA GLU 61 -14.168 -3.247 -7.163 818 1HB GLU 61 2HB GLU 61 -14.210 -6.184 -6.937 819 2HB GLU 61 1HB GLU 61 -15.602 -5.517 -7.789 820 1HG GLU 61 2HG GLU 61 -13.461 -4.062 -8.806 821 2HG GLU 61 1HG GLU 61 -12.815 -5.696 -8.651 822 H TYR 62 H TYR 62 -16.257 -2.378 -7.370 823 HA TYR 62 HA TYR 62 -18.169 -3.028 -5.151 824 1HB TYR 62 2HB TYR 62 -17.803 -0.505 -6.800 825 2HB TYR 62 1HB TYR 62 -18.902 -0.692 -5.435 826 HD1 TYR 62 HD1 TYR 62 -17.289 -2.237 -3.509 827 HD2 TYR 62 HD2 TYR 62 -16.148 1.024 -6.097 828 HE1 TYR 62 HE1 TYR 62 -15.446 -1.635 -1.940 829 HE2 TYR 62 HE2 TYR 62 -14.304 1.625 -4.529 830 HH TYR 62 HH TYR 62 -14.047 1.073 -1.692 831 H LEU 63 H LEU 63 -17.779 -2.564 -8.621 832 HA LEU 63 HA LEU 63 -20.423 -3.851 -9.062 833 1HB LEU 63 2HB LEU 63 -19.904 -1.054 -9.210 834 2HB LEU 63 1HB LEU 63 -20.118 -1.629 -10.864 835 HG LEU 63 HG LEU 63 -22.048 -2.702 -8.890 836 1HD1 LEU 63 1HD1 LEU 63 -21.528 0.134 -9.058 837 2HD1 LEU 63 3HD1 LEU 63 -23.131 -0.218 -9.702 838 3HD1 LEU 63 2HD1 LEU 63 -22.711 -0.715 -8.063 839 1HD2 LEU 63 2HD2 LEU 63 -22.229 -1.497 -11.671 840 2HD2 LEU 63 1HD2 LEU 63 -22.228 -3.215 -11.271 841 3HD2 LEU 63 3HD2 LEU 63 -23.591 -2.200 -10.798 842 H GLU 64 H GLU 64 -20.667 -4.446 -11.422 843 HA GLU 64 HA GLU 64 -18.015 -4.759 -12.786 844 1HB GLU 64 2HB GLU 64 -19.008 -6.778 -11.519 845 2HB GLU 64 1HB GLU 64 -20.241 -6.806 -12.780 846 1HG GLU 64 2HG GLU 64 -18.824 -7.747 -14.262 847 2HG GLU 64 1HG GLU 64 -17.566 -6.564 -13.907 848 HA PRO 65 HA PRO 65 -21.150 -2.744 -15.589 849 1HB PRO 65 2HB PRO 65 -18.922 -1.409 -16.827 850 2HB PRO 65 1HB PRO 65 -20.204 -0.699 -15.842 851 1HG PRO 65 2HG PRO 65 -17.459 -1.051 -15.133 852 2HG PRO 65 1HG PRO 65 -18.760 -0.406 -14.128 853 1HD PRO 65 2HD PRO 65 -17.436 -2.986 -13.894 854 2HD PRO 65 1HD PRO 65 -18.693 -2.288 -12.841 855 H SER 66 H SER 66 -21.259 -2.972 -17.990 856 HA SER 66 HA SER 66 -19.916 -5.438 -18.894 857 1HB SER 66 2HB SER 66 -22.310 -3.882 -19.450 858 2HB SER 66 1HB SER 66 -21.489 -4.333 -20.941 859 HG SER 66 HG SER 66 -22.020 -6.147 -18.826 860 H LYS 67 H LYS 67 -19.099 -5.382 -21.258 861 HA LYS 67 HA LYS 67 -17.372 -4.635 -22.701 862 1HB LYS 67 2HB LYS 67 -19.587 -3.211 -22.978 863 2HB LYS 67 1HB LYS 67 -18.574 -1.911 -22.353 864 1HG LYS 67 2HG LYS 67 -16.908 -3.034 -24.211 865 2HG LYS 67 1HG LYS 67 -18.484 -3.274 -24.969 866 1HD LYS 67 2HD LYS 67 -18.165 -0.614 -23.767 867 2HD LYS 67 1HD LYS 67 -17.021 -0.936 -25.070 868 1HE LYS 67 2HE LYS 67 -19.681 -1.887 -25.773 869 2HE LYS 67 1HE LYS 67 -19.692 -0.153 -25.390 870 1HZ LYS 67 1HZ LYS 67 -17.662 0.049 -26.783 871 2HZ LYS 67 3HZ LYS 67 -17.881 -1.559 -27.278 872 3HZ LYS 67 2HZ LYS 67 -19.049 -0.386 -27.662 873 H LYS 68 H LYS 68 -15.474 -4.785 -21.380 874 HA LYS 68 HA LYS 68 -14.759 -2.357 -19.783 875 1HB LYS 68 2HB LYS 68 -14.004 -5.276 -19.766 876 2HB LYS 68 1HB LYS 68 -12.993 -4.089 -18.942 877 1HG LYS 68 2HG LYS 68 -15.176 -3.282 -17.824 878 2HG LYS 68 1HG LYS 68 -15.873 -4.801 -18.388 879 1HD LYS 68 2HD LYS 68 -14.170 -6.073 -17.185 880 2HD LYS 68 1HD LYS 68 -13.373 -4.580 -16.686 881 1HE LYS 68 2HE LYS 68 -15.497 -3.912 -15.505 882 2HE LYS 68 1HE LYS 68 -16.143 -5.524 -15.874 883 1HZ LYS 68 2HZ LYS 68 -13.540 -5.051 -14.525 884 2HZ LYS 68 1HZ LYS 68 -14.982 -5.389 -13.693 885 3HZ LYS 68 3HZ LYS 68 -14.323 -6.542 -14.747 886 H ILE 69 H ILE 69 -12.784 -1.274 -20.212 887 HA ILE 69 HA ILE 69 -11.781 -1.312 -22.898 888 HB ILE 69 HB ILE 69 -11.711 0.605 -21.325 889 1HG1 ILE 69 2HG1 ILE 69 -9.229 1.166 -21.713 890 2HG1 ILE 69 1HG1 ILE 69 -9.120 -0.419 -22.481 891 1HG2 ILE 69 2HG2 ILE 69 -11.061 -0.929 -19.358 892 2HG2 ILE 69 1HG2 ILE 69 -9.410 -0.787 -19.958 893 3HG2 ILE 69 3HG2 ILE 69 -10.285 0.651 -19.431 894 1HD1 ILE 69 2HD1 ILE 69 -11.293 0.465 -23.757 895 2HD1 ILE 69 1HD1 ILE 69 -10.570 2.030 -23.383 896 3HD1 ILE 69 3HD1 ILE 69 -9.669 0.847 -24.331 897 H VAL 70 H VAL 70 -9.797 -2.141 -23.701 898 HA VAL 70 HA VAL 70 -8.095 -3.789 -21.932 899 HB VAL 70 HB VAL 70 -9.266 -5.023 -24.431 900 1HG1 VAL 70 2HG1 VAL 70 -7.173 -5.807 -23.041 901 2HG1 VAL 70 1HG1 VAL 70 -8.393 -6.436 -21.933 902 3HG1 VAL 70 3HG1 VAL 70 -8.346 -6.999 -23.605 903 1HG2 VAL 70 3HG2 VAL 70 -10.377 -5.167 -21.604 904 2HG2 VAL 70 2HG2 VAL 70 -11.200 -4.507 -23.017 905 3HG2 VAL 70 1HG2 VAL 70 -10.862 -6.235 -22.922 906 H VAL 71 H VAL 71 -6.541 -2.147 -22.547 907 HA VAL 71 HA VAL 71 -5.218 -2.702 -25.127 908 HB VAL 71 HB VAL 71 -5.308 -0.239 -25.702 909 1HG1 VAL 71 2HG1 VAL 71 -6.933 -2.040 -26.557 910 2HG1 VAL 71 1HG1 VAL 71 -8.087 -1.379 -25.398 911 3HG1 VAL 71 3HG1 VAL 71 -7.458 -0.362 -26.695 912 1HG2 VAL 71 3HG2 VAL 71 -6.498 -0.177 -23.070 913 2HG2 VAL 71 2HG2 VAL 71 -6.006 1.172 -24.092 914 3HG2 VAL 71 1HG2 VAL 71 -7.624 0.489 -24.253 915 H SER 72 H SER 72 -3.493 -0.505 -25.152 916 HA SER 72 HA SER 72 -1.555 -1.188 -23.143 917 1HB SER 72 2HB SER 72 -1.163 -0.241 -25.442 918 2HB SER 72 1HB SER 72 -1.801 1.298 -24.869 919 HG SER 72 HG SER 72 -0.068 1.564 -23.613 920 H THR 73 H THR 73 -2.063 -0.754 -20.997 921 HA THR 73 HA THR 73 -3.771 1.288 -20.034 922 HB THR 73 HB THR 73 -2.942 -0.700 -18.787 923 HG1 THR 73 HG1 THR 73 -3.010 0.342 -16.921 924 1HG2 THR 73 1HG2 THR 73 -0.546 -0.261 -19.730 925 2HG2 THR 73 3HG2 THR 73 -0.371 0.780 -18.319 926 3HG2 THR 73 2HG2 THR 73 -0.717 -0.937 -18.110 927 H LYS 74 H LYS 74 -0.287 1.375 -20.762 928 HA LYS 74 HA LYS 74 0.428 3.811 -19.550 929 1HB LYS 74 2HB LYS 74 1.951 2.249 -20.714 930 2HB LYS 74 1HB LYS 74 1.219 2.695 -22.254 931 1HG LYS 74 2HG LYS 74 1.928 5.123 -20.995 932 2HG LYS 74 1HG LYS 74 3.310 4.045 -20.797 933 1HD LYS 74 2HD LYS 74 2.693 3.527 -23.381 934 2HD LYS 74 1HD LYS 74 2.155 5.204 -23.274 935 1HE LYS 74 2HE LYS 74 4.625 5.180 -21.940 936 2HE LYS 74 1HE LYS 74 4.872 4.174 -23.383 937 1HZ LYS 74 3HZ LYS 74 3.621 5.956 -24.623 938 2HZ LYS 74 2HZ LYS 74 3.808 6.939 -23.249 939 3HZ LYS 74 1HZ LYS 74 5.175 6.387 -24.095 940 H TYR 75 H TYR 75 -1.228 3.246 -22.642 941 HA TYR 75 HA TYR 75 -1.300 5.979 -23.505 942 1HB TYR 75 2HB TYR 75 -1.878 4.601 -25.235 943 2HB TYR 75 1HB TYR 75 -2.443 3.343 -24.153 944 HD1 TYR 75 HD1 TYR 75 -3.787 6.860 -24.347 945 HD2 TYR 75 HD2 TYR 75 -4.440 2.684 -25.241 946 HE1 TYR 75 HE1 TYR 75 -6.138 7.365 -24.989 947 HE2 TYR 75 HE2 TYR 75 -6.790 3.191 -25.878 948 HH TYR 75 HH TYR 75 -7.949 5.757 -26.776 949 H LEU 76 H LEU 76 -3.879 4.014 -21.935 950 HA LEU 76 HA LEU 76 -5.665 6.155 -21.431 951 1HB LEU 76 2HB LEU 76 -5.072 3.470 -20.233 952 2HB LEU 76 1HB LEU 76 -6.196 4.533 -19.392 953 HG LEU 76 HG LEU 76 -7.413 3.065 -20.937 954 1HD1 LEU 76 2HD1 LEU 76 -7.882 5.663 -20.617 955 2HD1 LEU 76 1HD1 LEU 76 -7.451 5.718 -22.329 956 3HD1 LEU 76 3HD1 LEU 76 -8.800 4.717 -21.790 957 1HD2 LEU 76 1HD2 LEU 76 -5.548 2.716 -22.527 958 2HD2 LEU 76 3HD2 LEU 76 -7.014 3.237 -23.357 959 3HD2 LEU 76 2HD2 LEU 76 -5.711 4.388 -23.064 960 H GLN 77 H GLN 77 -3.027 4.868 -19.378 961 HA GLN 77 HA GLN 77 -3.335 6.460 -17.092 962 1HB GLN 77 2HB GLN 77 -1.394 4.786 -18.324 963 2HB GLN 77 1HB GLN 77 -0.562 6.264 -17.845 964 1HG GLN 77 2HG GLN 77 -0.423 5.108 -15.854 965 2HG GLN 77 1HG GLN 77 -1.983 5.894 -15.613 966 1HE2 GLN 77 2HE2 GLN 77 -3.839 2.843 -16.297 967 2HE2 GLN 77 1HE2 GLN 77 -3.913 4.513 -16.594 968 H GLN 78 H GLN 78 -1.708 7.274 -20.159 969 HA GLN 78 HA GLN 78 -0.691 9.825 -19.422 970 1HB GLN 78 2HB GLN 78 -0.120 8.566 -21.469 971 2HB GLN 78 1HB GLN 78 -1.763 8.792 -22.070 972 1HG GLN 78 2HG GLN 78 -1.001 10.686 -23.041 973 2HG GLN 78 1HG GLN 78 -0.954 11.370 -21.416 974 1HE2 GLN 78 2HE2 GLN 78 2.613 10.899 -21.078 975 2HE2 GLN 78 1HE2 GLN 78 1.177 10.895 -20.173 976 H LEU 79 H LEU 79 -3.930 8.802 -20.434 977 HA LEU 79 HA LEU 79 -4.967 11.497 -20.808 978 1HB LEU 79 2HB LEU 79 -6.094 8.712 -20.504 979 2HB LEU 79 1HB LEU 79 -7.172 10.101 -20.569 980 HG LEU 79 HG LEU 79 -6.637 8.877 -22.784 981 1HD1 LEU 79 3HD1 LEU 79 -6.265 11.864 -22.504 982 2HD1 LEU 79 2HD1 LEU 79 -6.607 11.031 -24.021 983 3HD1 LEU 79 1HD1 LEU 79 -7.792 11.008 -22.716 984 1HD2 LEU 79 2HD2 LEU 79 -4.153 8.845 -22.353 985 2HD2 LEU 79 1HD2 LEU 79 -4.615 9.494 -23.926 986 3HD2 LEU 79 3HD2 LEU 79 -4.150 10.587 -22.621 987 H GLN 80 H GLN 80 -4.303 9.515 -18.057 988 HA GLN 80 HA GLN 80 -6.272 10.754 -16.290 989 1HB GLN 80 2HB GLN 80 -3.801 9.238 -15.450 990 2HB GLN 80 1HB GLN 80 -5.374 9.285 -14.687 991 1HG GLN 80 2HG GLN 80 -4.979 8.021 -17.390 992 2HG GLN 80 1HG GLN 80 -4.768 7.126 -15.906 993 1HE2 GLN 80 2HE2 GLN 80 -8.419 7.426 -17.334 994 2HE2 GLN 80 1HE2 GLN 80 -6.997 7.604 -18.239 995 H LYS 81 H LYS 81 -2.697 10.777 -16.566 996 HA LYS 81 HA LYS 81 -2.366 12.987 -14.713 997 1HB LYS 81 2HB LYS 81 -0.657 11.251 -15.172 998 2HB LYS 81 1HB LYS 81 -0.545 11.808 -16.843 999 1HG LYS 81 2HG LYS 81 0.582 13.738 -16.274 1000 2HG LYS 81 1HG LYS 81 -0.178 13.840 -14.686 1001 1HD LYS 81 2HD LYS 81 1.559 11.477 -15.124 1002 2HD LYS 81 1HD LYS 81 2.388 13.034 -15.058 1003 1HE LYS 81 2HE LYS 81 1.311 13.529 -12.888 1004 2HE LYS 81 1HE LYS 81 0.475 11.965 -12.949 1005 1HZ LYS 81 3HZ LYS 81 3.421 12.350 -13.062 1006 2HZ LYS 81 2HZ LYS 81 2.555 11.799 -11.708 1007 3HZ LYS 81 1HZ LYS 81 2.614 10.859 -13.122 1008 H ASP 82 H ASP 82 -2.367 12.702 -18.289 1009 HA ASP 82 HA ASP 82 -1.728 15.393 -18.918 1010 1HB ASP 82 2HB ASP 82 -2.017 13.434 -20.487 1011 2HB ASP 82 1HB ASP 82 -3.762 13.593 -20.285 1012 H LEU 83 H LEU 83 -4.794 13.870 -17.986 1013 HA LEU 83 HA LEU 83 -6.534 16.101 -18.323 1014 1HB LEU 83 2HB LEU 83 -7.301 13.825 -17.869 1015 2HB LEU 83 1HB LEU 83 -6.472 13.826 -16.313 1016 HG LEU 83 HG LEU 83 -8.376 16.055 -16.763 1017 1HD1 LEU 83 3HD1 LEU 83 -9.298 13.656 -17.591 1018 2HD1 LEU 83 2HD1 LEU 83 -9.613 13.506 -15.863 1019 3HD1 LEU 83 1HD1 LEU 83 -10.319 14.839 -16.774 1020 1HD2 LEU 83 2HD2 LEU 83 -7.551 14.214 -14.519 1021 2HD2 LEU 83 1HD2 LEU 83 -7.364 15.965 -14.627 1022 3HD2 LEU 83 3HD2 LEU 83 -8.961 15.262 -14.367 1023 H ASN 84 H ASN 84 -4.550 15.069 -15.533 1024 HA ASN 84 HA ASN 84 -5.320 17.238 -13.802 1025 1HB ASN 84 2HB ASN 84 -3.823 14.909 -13.710 1026 2HB ASN 84 1HB ASN 84 -2.612 16.167 -13.485 1027 1HD2 ASN 84 2HD2 ASN 84 -3.654 16.910 -10.204 1028 2HD2 ASN 84 1HD2 ASN 84 -2.514 17.156 -11.437 1029 H ASP 85 H ASP 85 -2.769 16.820 -16.235 1030 HA ASP 85 HA ASP 85 -1.254 19.174 -15.652 1031 1HB ASP 85 2HB ASP 85 -1.288 17.088 -17.522 1032 2HB ASP 85 1HB ASP 85 -1.540 18.537 -18.497 1033 H LYS 86 H LYS 86 -4.320 18.650 -17.241 1034 HA LYS 86 HA LYS 86 -4.508 21.331 -18.406 1035 1HB LYS 86 2HB LYS 86 -6.545 19.156 -17.797 1036 2HB LYS 86 1HB LYS 86 -6.860 20.580 -18.788 1037 1HG LYS 86 2HG LYS 86 -4.670 18.577 -19.388 1038 2HG LYS 86 1HG LYS 86 -6.277 18.512 -20.111 1039 1HD LYS 86 2HD LYS 86 -5.885 20.929 -20.853 1040 2HD LYS 86 1HD LYS 86 -4.196 20.683 -20.409 1041 1HE LYS 86 2HE LYS 86 -4.616 18.450 -21.907 1042 2HE LYS 86 1HE LYS 86 -5.707 19.593 -22.715 1043 1HZ LYS 86 1HZ LYS 86 -2.942 20.314 -21.940 1044 2HZ LYS 86 3HZ LYS 86 -3.306 19.651 -23.457 1045 3HZ LYS 86 2HZ LYS 86 -3.981 21.141 -22.999 1046 H THR 87 H THR 87 -5.176 19.734 -15.392 1047 HA THR 87 HA THR 87 -6.871 21.836 -14.264 1048 HB THR 87 HB THR 87 -5.382 19.692 -12.747 1049 HG1 THR 87 HG1 THR 87 -7.511 19.361 -14.580 1050 1HG2 THR 87 3HG2 THR 87 -7.278 21.497 -12.012 1051 2HG2 THR 87 2HG2 THR 87 -8.294 20.131 -12.474 1052 3HG2 THR 87 1HG2 THR 87 -7.061 19.932 -11.228 1053 H GLU 88 H GLU 88 -3.490 20.750 -14.071 1054 HA GLU 88 HA GLU 88 -2.629 22.655 -12.082 1055 1HB GLU 88 2HB GLU 88 -1.569 20.570 -13.795 1056 2HB GLU 88 1HB GLU 88 -0.498 21.972 -13.816 1057 1HG GLU 88 2HG GLU 88 0.072 21.740 -11.617 1058 2HG GLU 88 1HG GLU 88 -1.537 21.189 -11.152 1059 H GLU 89 H GLU 89 -2.869 22.628 -15.601 1060 HA GLU 89 HA GLU 89 -1.528 25.154 -16.062 1061 1HB GLU 89 2HB GLU 89 -3.094 23.122 -17.500 1062 2HB GLU 89 1HB GLU 89 -3.356 24.755 -18.111 1063 1HG GLU 89 2HG GLU 89 -0.648 23.447 -17.720 1064 2HG GLU 89 1HG GLU 89 -1.464 23.659 -19.270 1065 H ASN 90 H ASN 90 -4.957 24.176 -15.822 1066 HA ASN 90 HA ASN 90 -6.189 26.710 -16.093 1067 1HB ASN 90 2HB ASN 90 -6.780 24.028 -15.164 1068 2HB ASN 90 1HB ASN 90 -7.559 25.210 -14.113 1069 1HD2 ASN 90 2HD2 ASN 90 -9.456 24.411 -17.421 1070 2HD2 ASN 90 1HD2 ASN 90 -8.506 23.356 -16.491 1071 H ASN 91 H ASN 91 -4.396 25.269 -13.466 1072 HA ASN 91 HA ASN 91 -5.224 27.143 -11.396 1073 1HB ASN 91 2HB ASN 91 -3.438 24.838 -11.818 1074 2HB ASN 91 1HB ASN 91 -2.802 26.006 -10.664 1075 1HD2 ASN 91 2HD2 ASN 91 -6.142 23.840 -9.728 1076 2HD2 ASN 91 1HD2 ASN 91 -5.527 23.820 -11.310 1077 H ARG 92 H ARG 92 -2.540 26.890 -13.709 1078 HA ARG 92 HA ARG 92 -1.123 29.220 -12.633 1079 1HB ARG 92 2HB ARG 92 -0.210 27.159 -13.886 1080 2HB ARG 92 1HB ARG 92 -0.827 27.930 -15.348 1081 1HG ARG 92 2HG ARG 92 0.784 29.543 -15.337 1082 2HG ARG 92 1HG ARG 92 0.765 29.686 -13.579 1083 1HD ARG 92 2HD ARG 92 1.838 27.232 -13.745 1084 2HD ARG 92 1HD ARG 92 2.386 27.868 -15.309 1085 HE ARG 92 HE ARG 92 3.128 29.926 -13.866 1086 1HH1 ARG 92 1HH2 ARG 92 3.225 29.732 -11.284 1087 2HH1 ARG 92 2HH2 ARG 92 4.410 28.563 -10.804 1088 1HH2 ARG 92 2HH1 ARG 92 4.593 27.073 -13.929 1089 2HH2 ARG 92 1HH1 ARG 92 5.183 27.058 -12.302 1090 H LEU 93 H LEU 93 -2.991 28.522 -15.613 1091 HA LEU 93 HA LEU 93 -2.951 31.045 -16.834 1092 1HB LEU 93 2HB LEU 93 -3.942 29.008 -17.785 1093 2HB LEU 93 1HB LEU 93 -5.205 29.026 -16.553 1094 HG LEU 93 HG LEU 93 -5.683 31.440 -17.464 1095 1HD1 LEU 93 2HD1 LEU 93 -3.598 31.304 -18.940 1096 2HD1 LEU 93 1HD1 LEU 93 -4.501 30.167 -19.941 1097 3HD1 LEU 93 3HD1 LEU 93 -5.081 31.820 -19.744 1098 1HD2 LEU 93 1HD2 LEU 93 -6.725 28.881 -17.967 1099 2HD2 LEU 93 3HD2 LEU 93 -7.525 30.421 -18.282 1100 3HD2 LEU 93 2HD2 LEU 93 -6.589 29.635 -19.554 1101 H LYS 94 H LYS 94 -4.771 29.935 -14.032 1102 HA LYS 94 HA LYS 94 -6.514 32.259 -13.856 1103 1HB LYS 94 2HB LYS 94 -7.020 30.017 -12.915 1104 2HB LYS 94 1HB LYS 94 -5.647 30.174 -11.819 1105 1HG LYS 94 2HG LYS 94 -6.821 32.409 -11.104 1106 2HG LYS 94 1HG LYS 94 -8.258 31.664 -11.804 1107 1HD LYS 94 2HD LYS 94 -7.855 29.654 -10.365 1108 2HD LYS 94 1HD LYS 94 -6.525 30.521 -9.595 1109 1HE LYS 94 2HE LYS 94 -8.154 31.205 -8.129 1110 2HE LYS 94 1HE LYS 94 -8.554 32.368 -9.410 1111 1HZ LYS 94 2HZ LYS 94 -9.637 29.605 -9.269 1112 2HZ LYS 94 1HZ LYS 94 -10.470 30.977 -8.710 1113 3HZ LYS 94 3HZ LYS 94 -10.095 30.826 -10.357 1114 H ALA 95 H ALA 95 -3.403 31.270 -12.435 1115 HA ALA 95 HA ALA 95 -3.236 33.782 -10.871 1116 1HB ALA 95 3HB ALA 95 -1.798 31.172 -11.092 1117 2HB ALA 95 2HB ALA 95 -0.886 32.548 -10.471 1118 3HB ALA 95 1HB ALA 95 -2.357 32.023 -9.652 1119 H LEU 96 H LEU 96 -2.556 32.850 -14.042 1120 HA LEU 96 HA LEU 96 -0.130 34.533 -14.318 1121 1HB LEU 96 2HB LEU 96 -0.542 32.237 -15.385 1122 2HB LEU 96 1HB LEU 96 -1.706 33.048 -16.434 1123 HG LEU 96 HG LEU 96 0.310 34.724 -16.822 1124 1HD1 LEU 96 1HD1 LEU 96 1.519 32.307 -15.570 1125 2HD1 LEU 96 3HD1 LEU 96 2.360 32.986 -16.963 1126 3HD1 LEU 96 2HD1 LEU 96 2.067 33.983 -15.537 1127 1HD2 LEU 96 3HD2 LEU 96 -0.088 31.989 -18.050 1128 2HD2 LEU 96 2HD2 LEU 96 -0.644 33.546 -18.661 1129 3HD2 LEU 96 1HD2 LEU 96 1.073 33.146 -18.700 1130 H LEU 97 H LEU 97 -3.577 34.642 -14.837 1131 HA LEU 97 HA LEU 97 -3.341 37.093 -16.514 1132 1HB LEU 97 2HB LEU 97 -5.721 35.383 -15.720 1133 2HB LEU 97 1HB LEU 97 -5.724 36.657 -16.940 1134 HG LEU 97 HG LEU 97 -4.054 34.127 -17.038 1135 1HD1 LEU 97 1HD1 LEU 97 -6.710 34.292 -17.529 1136 2HD1 LEU 97 3HD1 LEU 97 -6.085 34.777 -19.106 1137 3HD1 LEU 97 2HD1 LEU 97 -5.636 33.215 -18.421 1138 1HD2 LEU 97 3HD2 LEU 97 -3.912 36.684 -18.439 1139 2HD2 LEU 97 2HD2 LEU 97 -2.768 35.343 -18.447 1140 3HD2 LEU 97 1HD2 LEU 97 -4.141 35.337 -19.552 1141 H LEU 98 H LEU 98 -4.594 35.938 -13.393 1142 HA LEU 98 HA LEU 98 -5.875 38.436 -12.664 1143 1HB LEU 98 2HB LEU 98 -4.795 36.135 -11.003 1144 2HB LEU 98 1HB LEU 98 -5.957 37.342 -10.452 1145 HG LEU 98 HG LEU 98 -6.404 35.512 -12.821 1146 1HD1 LEU 98 1HD1 LEU 98 -6.272 34.395 -10.514 1147 2HD1 LEU 98 3HD1 LEU 98 -7.713 35.323 -10.099 1148 3HD1 LEU 98 2HD1 LEU 98 -7.769 34.149 -11.413 1149 1HD2 LEU 98 1HD2 LEU 98 -7.992 37.642 -11.418 1150 2HD2 LEU 98 3HD2 LEU 98 -7.806 37.349 -13.147 1151 3HD2 LEU 98 2HD2 LEU 98 -8.840 36.297 -12.180 1152 H GLU 99 H GLU 99 -2.619 37.244 -12.593 1153 HA GLU 99 HA GLU 99 -1.570 39.000 -10.544 1154 1HB GLU 99 2HB GLU 99 -0.711 36.810 -11.875 1155 2HB GLU 99 1HB GLU 99 0.129 38.056 -12.799 1156 1HG GLU 99 2HG GLU 99 1.279 38.859 -10.885 1157 2HG GLU 99 1HG GLU 99 0.198 38.009 -9.780 1158 H ARG 100 HN ARG 100 -2.323 39.395 -13.936 1159 HA ARG 100 HA ARG 100 -1.286 42.202 -13.787 1160 1HB ARG 100 2HB ARG 100 -0.416 39.968 -15.418 1161 2HB ARG 100 1HB ARG 100 -1.010 41.277 -16.440 1162 1HG ARG 100 2HG ARG 100 0.748 42.048 -14.165 1163 2HG ARG 100 1HG ARG 100 1.515 41.215 -15.518 1164 1HD ARG 100 2HD ARG 100 -0.310 43.220 -16.528 1165 2HD ARG 100 1HD ARG 100 0.841 43.956 -15.396 1166 HE ARG 100 HE ARG 100 1.632 42.329 -17.780 1167 1HH1 ARG 100 1HH1 ARG 100 3.273 42.923 -15.094 1168 2HH1 ARG 100 2HH1 ARG 100 4.402 44.069 -15.736 1169 1HH2 ARG 100 1HH2 ARG 100 2.656 44.532 -18.695 1170 2HH2 ARG 100 2HH2 ARG 100 4.053 44.979 -17.774 No H/Q in entry = 1170 Start of MODEL 6 1 1H MET 30 3H MET 30 2.491 -15.770 -35.551 2 2H MET 30 2H MET 30 1.128 -14.834 -35.161 3 3H MET 30 1H MET 30 1.063 -16.527 -35.040 4 HA MET 30 HA MET 30 1.053 -16.826 -37.355 5 1HB MET 30 2HB MET 30 -0.880 -15.541 -35.979 6 2HB MET 30 1HB MET 30 -0.525 -14.305 -37.187 7 1HG MET 30 2HG MET 30 -1.504 -15.498 -38.838 8 2HG MET 30 1HG MET 30 -0.685 -16.982 -38.351 9 1HE MET 30 3HE MET 30 -3.032 -14.361 -37.223 10 2HE MET 30 2HE MET 30 -4.445 -15.155 -36.533 11 3HE MET 30 1HE MET 30 -2.962 -15.035 -35.590 12 H SER 31 H SER 31 3.410 -16.064 -37.772 13 HA SER 31 HA SER 31 4.913 -14.755 -39.044 14 1HB SER 31 2HB SER 31 2.250 -14.040 -40.313 15 2HB SER 31 1HB SER 31 3.825 -13.772 -41.054 16 HG SER 31 HG SER 31 3.260 -15.716 -41.811 17 H VAL 32 H VAL 32 4.725 -13.513 -36.726 18 HA VAL 32 HA VAL 32 3.631 -10.778 -37.043 19 HB VAL 32 HB VAL 32 5.064 -12.198 -34.774 20 1HG1 VAL 32 1HG1 VAL 32 5.157 -9.691 -34.711 21 2HG1 VAL 32 3HG1 VAL 32 3.393 -9.667 -34.738 22 3HG1 VAL 32 2HG1 VAL 32 4.246 -10.389 -33.372 23 1HG2 VAL 32 3HG2 VAL 32 2.560 -12.728 -35.813 24 2HG2 VAL 32 2HG2 VAL 32 3.058 -13.067 -34.155 25 3HG2 VAL 32 1HG2 VAL 32 2.200 -11.572 -34.530 26 H ALA 33 H ALA 33 4.981 -9.464 -38.257 27 HA ALA 33 HA ALA 33 7.898 -9.779 -38.207 28 1HB ALA 33 1HB ALA 33 6.452 -9.127 -40.183 29 2HB ALA 33 3HB ALA 33 6.175 -7.578 -39.385 30 3HB ALA 33 2HB ALA 33 7.804 -8.035 -39.884 31 H CYS 34 H CYS 34 9.250 -7.730 -37.779 32 HA CYS 34 HA CYS 34 8.755 -6.781 -35.092 33 1HB CYS 34 2HB CYS 34 10.651 -5.774 -37.235 34 2HB CYS 34 1HB CYS 34 10.812 -5.515 -35.501 35 H LEU 35 H LEU 35 8.967 -4.246 -34.767 36 HA LEU 35 HA LEU 35 6.605 -3.007 -35.826 37 1HB LEU 35 2HB LEU 35 8.893 -2.393 -34.072 38 2HB LEU 35 1HB LEU 35 8.185 -0.983 -34.856 39 HG LEU 35 HG LEU 35 7.103 -1.449 -32.682 40 1HD1 LEU 35 3HD1 LEU 35 5.891 -0.748 -34.989 41 2HD1 LEU 35 2HD1 LEU 35 5.001 -2.230 -34.638 42 3HD1 LEU 35 1HD1 LEU 35 5.015 -0.910 -33.467 43 1HD2 LEU 35 2HD2 LEU 35 7.453 -3.909 -32.712 44 2HD2 LEU 35 1HD2 LEU 35 5.767 -3.494 -32.407 45 3HD2 LEU 35 3HD2 LEU 35 6.263 -4.048 -34.006 46 H SER 36 H SER 36 10.046 -2.685 -36.576 47 HA SER 36 HA SER 36 9.825 -0.607 -38.535 48 1HB SER 36 2HB SER 36 11.822 -1.953 -37.277 49 2HB SER 36 1HB SER 36 11.874 -2.740 -38.853 50 HG SER 36 HG SER 36 12.448 -0.892 -39.771 51 H CYS 37 H CYS 37 9.785 -4.167 -38.806 52 HA CYS 37 HA CYS 37 9.565 -4.303 -41.661 53 1HB CYS 37 2HB CYS 37 8.509 -6.167 -39.504 54 2HB CYS 37 1HB CYS 37 8.851 -6.608 -41.175 55 H ARG 38 H ARG 38 7.244 -3.717 -39.097 56 HA ARG 38 HA ARG 38 4.850 -4.177 -40.683 57 1HB ARG 38 2HB ARG 38 5.667 -3.393 -38.003 58 2HB ARG 38 1HB ARG 38 4.320 -2.402 -38.563 59 1HG ARG 38 2HG ARG 38 3.525 -4.446 -37.423 60 2HG ARG 38 1HG ARG 38 3.042 -4.424 -39.118 61 1HD ARG 38 2HD ARG 38 4.877 -5.932 -39.708 62 2HD ARG 38 1HD ARG 38 5.476 -5.891 -38.037 63 HE ARG 38 HE ARG 38 3.757 -7.403 -37.468 64 1HH1 ARG 38 2HH1 ARG 38 1.298 -6.201 -37.733 65 2HH1 ARG 38 1HH1 ARG 38 0.579 -6.830 -39.176 66 1HH2 ARG 38 1HH2 ARG 38 3.572 -8.004 -40.475 67 2HH2 ARG 38 2HH2 ARG 38 1.865 -7.850 -40.729 68 H LYS 39 H LYS 39 6.748 -1.320 -39.744 69 HA LYS 39 HA LYS 39 5.043 0.636 -41.008 70 1HB LYS 39 2HB LYS 39 6.554 1.272 -39.257 71 2HB LYS 39 1HB LYS 39 7.925 0.529 -40.077 72 1HG LYS 39 2HG LYS 39 6.426 2.729 -41.463 73 2HG LYS 39 1HG LYS 39 7.573 3.146 -40.190 74 1HD LYS 39 2HD LYS 39 8.721 1.158 -41.954 75 2HD LYS 39 1HD LYS 39 8.173 2.556 -42.881 76 1HE LYS 39 2HE LYS 39 9.634 3.149 -40.349 77 2HE LYS 39 1HE LYS 39 10.593 2.510 -41.700 78 1HZ LYS 39 2HZ LYS 39 9.563 4.160 -43.152 79 2HZ LYS 39 1HZ LYS 39 8.701 4.800 -41.835 80 3HZ LYS 39 3HZ LYS 39 10.392 4.912 -41.873 81 H ARG 40 H ARG 40 7.595 -1.475 -42.162 82 HA ARG 40 HA ARG 40 7.805 0.005 -44.732 83 1HB ARG 40 2HB ARG 40 9.250 -2.348 -43.488 84 2HB ARG 40 1HB ARG 40 9.669 -1.654 -45.055 85 1HG ARG 40 2HG ARG 40 9.837 0.589 -43.802 86 2HG ARG 40 1HG ARG 40 9.835 -0.380 -42.328 87 1HD ARG 40 2HD ARG 40 11.971 -1.124 -42.674 88 2HD ARG 40 1HD ARG 40 11.717 -1.313 -44.421 89 HE ARG 40 HE ARG 40 11.830 1.456 -43.372 90 1HH1 ARG 40 2HH1 ARG 40 12.204 1.728 -46.038 91 2HH1 ARG 40 1HH1 ARG 40 13.876 1.428 -46.377 92 1HH2 ARG 40 1HH2 ARG 40 14.469 -0.188 -43.367 93 2HH2 ARG 40 2HH2 ARG 40 15.158 0.344 -44.864 94 H HIS 41 H HIS 41 5.847 -2.360 -43.422 95 HA HIS 41 HA HIS 41 4.450 -4.003 -44.357 96 1HB HIS 41 2HB HIS 41 5.039 -2.054 -46.584 97 2HB HIS 41 1HB HIS 41 3.962 -3.424 -46.840 98 HD1 HIS 41 HD1 HIS 41 3.909 -0.007 -45.728 99 HD2 HIS 41 HD2 HIS 41 1.814 -3.456 -44.680 100 HE1 HIS 41 HE1 HIS 41 1.824 0.761 -44.513 101 H ILE 42 H ILE 42 6.990 -4.953 -44.034 102 HA ILE 42 HA ILE 42 7.669 -6.295 -46.618 103 HB ILE 42 HB ILE 42 9.888 -6.157 -46.005 104 1HG1 ILE 42 2HG1 ILE 42 9.140 -6.240 -43.067 105 2HG1 ILE 42 1HG1 ILE 42 9.631 -7.644 -44.017 106 1HG2 ILE 42 2HG2 ILE 42 9.053 -3.855 -45.878 107 2HG2 ILE 42 1HG2 ILE 42 8.723 -4.072 -44.159 108 3HG2 ILE 42 3HG2 ILE 42 10.385 -4.110 -44.747 109 1HD1 ILE 42 1HD1 ILE 42 11.746 -6.293 -44.595 110 2HD1 ILE 42 3HD1 ILE 42 11.273 -5.221 -43.276 111 3HD1 ILE 42 2HD1 ILE 42 11.624 -6.919 -42.952 112 H LYS 43 H LYS 43 8.844 -8.562 -45.943 113 HA LYS 43 HA LYS 43 6.812 -9.947 -44.264 114 1HB LYS 43 2HB LYS 43 6.857 -10.521 -46.666 115 2HB LYS 43 1HB LYS 43 8.564 -10.944 -46.531 116 1HG LYS 43 2HG LYS 43 7.573 -12.478 -44.544 117 2HG LYS 43 1HG LYS 43 6.166 -12.437 -45.607 118 1HD LYS 43 2HD LYS 43 7.148 -14.007 -46.885 119 2HD LYS 43 1HD LYS 43 8.402 -12.834 -47.288 120 1HE LYS 43 2HE LYS 43 9.589 -13.505 -45.144 121 2HE LYS 43 1HE LYS 43 8.422 -14.836 -45.007 122 1HZ LYS 43 1HZ LYS 43 10.062 -14.289 -47.424 123 2HZ LYS 43 3HZ LYS 43 10.457 -15.450 -46.253 124 3HZ LYS 43 2HZ LYS 43 9.036 -15.620 -47.169 125 H CYS 44 H CYS 44 8.274 -9.271 -42.401 126 HA CYS 44 HA CYS 44 10.933 -10.042 -42.006 127 1HB CYS 44 2HB CYS 44 9.624 -8.681 -40.460 128 2HB CYS 44 1HB CYS 44 8.554 -10.040 -40.122 129 HA PRO 45 HA PRO 45 10.805 -14.501 -42.273 130 1HB PRO 45 2HB PRO 45 12.925 -14.781 -40.348 131 2HB PRO 45 1HB PRO 45 13.027 -14.913 -42.107 132 1HG PRO 45 2HG PRO 45 13.996 -12.785 -40.426 133 2HG PRO 45 1HG PRO 45 14.144 -12.948 -42.179 134 1HD PRO 45 2HD PRO 45 12.493 -11.102 -40.735 135 2HD PRO 45 1HD PRO 45 12.562 -11.338 -42.498 136 H GLY 46 H GLY 46 11.568 -13.337 -38.959 137 1HA GLY 46 2HA GLY 46 9.629 -13.583 -37.314 138 2HA GLY 46 1HA GLY 46 9.477 -15.222 -37.947 139 H GLY 47 H GLY 47 11.603 -13.062 -36.126 140 1HA GLY 47 2HA GLY 47 12.533 -15.329 -34.523 141 2HA GLY 47 1HA GLY 47 13.792 -14.591 -35.515 142 H ASN 48 H ASN 48 14.409 -14.340 -32.991 143 HA ASN 48 HA ASN 48 13.834 -11.490 -32.368 144 1HB ASN 48 2HB ASN 48 12.880 -13.875 -30.936 145 2HB ASN 48 1HB ASN 48 13.667 -12.689 -29.895 146 1HD2 ASN 48 2HD2 ASN 48 11.275 -10.080 -31.015 147 2HD2 ASN 48 1HD2 ASN 48 12.964 -10.264 -31.000 148 HA PRO 49 HA PRO 49 15.085 -10.057 -32.806 149 1HB PRO 49 2HB PRO 49 17.527 -9.779 -34.289 150 2HB PRO 49 1HB PRO 49 16.895 -8.703 -33.045 151 1HG PRO 49 2HG PRO 49 19.171 -10.389 -32.853 152 2HG PRO 49 1HG PRO 49 18.440 -9.432 -31.563 153 1HD PRO 49 2HD PRO 49 18.362 -12.331 -31.959 154 2HD PRO 49 1HD PRO 49 17.842 -11.385 -30.543 155 H CYS 50 H CYS 50 14.397 -9.993 -35.061 156 HA CYS 50 HA CYS 50 14.190 -12.538 -36.385 157 1HB CYS 50 2HB CYS 50 13.145 -11.157 -38.155 158 2HB CYS 50 1HB CYS 50 12.574 -10.666 -36.563 159 H GLN 51 H GLN 51 14.843 -11.119 -39.105 160 HA GLN 51 HA GLN 51 17.824 -11.294 -38.931 161 1HB GLN 51 2HB GLN 51 16.612 -13.461 -39.574 162 2HB GLN 51 1HB GLN 51 16.165 -12.639 -41.070 163 1HG GLN 51 2HG GLN 51 18.167 -13.744 -41.637 164 2HG GLN 51 1HG GLN 51 18.695 -12.099 -41.278 165 1HE2 GLN 51 2HE2 GLN 51 20.792 -13.140 -38.658 166 2HE2 GLN 51 1HE2 GLN 51 20.367 -11.935 -39.776 167 H LYS 52 H LYS 52 14.984 -10.323 -40.855 168 HA LYS 52 HA LYS 52 16.381 -8.975 -42.944 169 1HB LYS 52 2HB LYS 52 13.661 -8.962 -41.715 170 2HB LYS 52 1HB LYS 52 14.065 -7.631 -42.803 171 1HG LYS 52 2HG LYS 52 14.845 -9.385 -44.471 172 2HG LYS 52 1HG LYS 52 14.109 -10.594 -43.419 173 1HD LYS 52 2HD LYS 52 11.928 -9.645 -43.701 174 2HD LYS 52 1HD LYS 52 12.587 -8.205 -44.481 175 1HE LYS 52 2HE LYS 52 13.362 -9.575 -46.387 176 2HE LYS 52 1HE LYS 52 12.700 -11.027 -45.608 177 1HZ LYS 52 3HZ LYS 52 10.529 -9.953 -45.541 178 2HZ LYS 52 2HZ LYS 52 11.163 -8.586 -46.327 179 3HZ LYS 52 1HZ LYS 52 11.087 -10.076 -47.138 180 H CYS 53 H CYS 53 15.786 -8.066 -39.632 181 HA CYS 53 HA CYS 53 16.536 -5.231 -40.168 182 1HB CYS 53 2HB CYS 53 15.348 -6.855 -37.962 183 2HB CYS 53 1HB CYS 53 16.024 -5.276 -37.597 184 H VAL 54 H VAL 54 17.564 -8.119 -38.367 185 HA VAL 54 HA VAL 54 19.817 -6.987 -37.037 186 HB VAL 54 HB VAL 54 19.710 -9.807 -38.147 187 1HG1 VAL 54 3HG1 VAL 54 21.503 -8.507 -36.506 188 2HG1 VAL 54 2HG1 VAL 54 20.443 -9.307 -35.341 189 3HG1 VAL 54 1HG1 VAL 54 21.281 -10.256 -36.573 190 1HG2 VAL 54 1HG2 VAL 54 18.038 -8.575 -35.959 191 2HG2 VAL 54 3HG2 VAL 54 17.537 -9.680 -37.240 192 3HG2 VAL 54 2HG2 VAL 54 18.494 -10.276 -35.886 193 H THR 55 H THR 55 19.276 -8.249 -40.245 194 HA THR 55 HA THR 55 22.043 -8.095 -41.123 195 HB THR 55 HB THR 55 20.269 -9.619 -42.009 196 HG1 THR 55 HG1 THR 55 21.657 -9.529 -43.577 197 1HG2 THR 55 2HG2 THR 55 18.506 -7.758 -41.880 198 2HG2 THR 55 1HG2 THR 55 19.145 -7.211 -43.426 199 3HG2 THR 55 3HG2 THR 55 18.443 -8.823 -43.282 200 H SER 56 H SER 56 19.152 -6.075 -41.303 201 HA SER 56 HA SER 56 20.612 -3.959 -42.803 202 1HB SER 56 2HB SER 56 17.771 -4.630 -42.104 203 2HB SER 56 1HB SER 56 18.169 -2.967 -42.522 204 HG SER 56 HG SER 56 17.899 -5.123 -44.118 205 H ASN 57 H ASN 57 21.122 -4.730 -39.933 206 HA ASN 57 HA ASN 57 21.295 -3.785 -37.801 207 1HB ASN 57 2HB ASN 57 22.322 -1.462 -38.003 208 2HB ASN 57 1HB ASN 57 23.113 -2.746 -38.903 209 1HD2 ASN 57 2HD2 ASN 57 21.050 0.135 -40.990 210 2HD2 ASN 57 1HD2 ASN 57 20.646 -0.163 -39.370 211 H ALA 58 H ALA 58 18.830 -4.000 -37.907 212 HA ALA 58 HA ALA 58 17.625 -1.331 -37.253 213 1HB ALA 58 1HB ALA 58 17.027 -3.230 -39.311 214 2HB ALA 58 3HB ALA 58 15.673 -3.210 -38.178 215 3HB ALA 58 2HB ALA 58 16.192 -1.715 -38.958 216 H ILE 59 H ILE 59 16.145 -1.391 -35.460 217 HA ILE 59 HA ILE 59 16.644 -3.410 -33.468 218 HB ILE 59 HB ILE 59 14.452 -1.335 -33.693 219 1HG1 ILE 59 2HG1 ILE 59 16.734 -0.384 -33.924 220 2HG1 ILE 59 1HG1 ILE 59 15.983 0.105 -32.403 221 1HG2 ILE 59 2HG2 ILE 59 15.440 -3.120 -31.505 222 2HG2 ILE 59 1HG2 ILE 59 14.873 -1.505 -31.081 223 3HG2 ILE 59 3HG2 ILE 59 13.788 -2.635 -31.892 224 1HD1 ILE 59 3HD1 ILE 59 17.262 -2.336 -31.843 225 2HD1 ILE 59 2HD1 ILE 59 18.406 -1.433 -32.836 226 3HD1 ILE 59 1HD1 ILE 59 17.788 -0.730 -31.341 227 H CYS 60 H CYS 60 15.613 -5.280 -33.176 228 HA CYS 60 HA CYS 60 13.188 -5.885 -34.813 229 1HB CYS 60 2HB CYS 60 15.036 -7.858 -33.447 230 2HB CYS 60 1HB CYS 60 13.965 -8.138 -34.812 231 H GLU 61 H GLU 61 11.401 -5.525 -33.496 232 HA GLU 61 HA GLU 61 11.334 -6.975 -30.889 233 1HB GLU 61 2HB GLU 61 11.087 -4.035 -31.432 234 2HB GLU 61 1HB GLU 61 10.142 -4.734 -30.115 235 1HG GLU 61 2HG GLU 61 12.173 -5.640 -29.096 236 2HG GLU 61 1HG GLU 61 13.142 -5.037 -30.442 237 H TYR 62 H TYR 62 9.232 -7.671 -30.325 238 HA TYR 62 HA TYR 62 7.141 -7.250 -32.431 239 1HB TYR 62 2HB TYR 62 7.647 -9.491 -30.446 240 2HB TYR 62 1HB TYR 62 6.299 -9.451 -31.580 241 HD1 TYR 62 HD2 TYR 62 7.629 -8.269 -33.993 242 HD2 TYR 62 HD1 TYR 62 8.979 -11.302 -31.229 243 HE1 TYR 62 HE2 TYR 62 9.091 -9.235 -35.763 244 HE2 TYR 62 HE1 TYR 62 10.436 -12.269 -33.005 245 HH TYR 62 HH TYR 62 10.303 -11.102 -36.337 246 H LEU 63 H LEU 63 4.875 -7.206 -31.584 247 HA LEU 63 HA LEU 63 4.570 -5.344 -29.404 248 1HB LEU 63 2HB LEU 63 3.108 -5.661 -31.445 249 2HB LEU 63 1HB LEU 63 2.506 -7.146 -30.706 250 HG LEU 63 HG LEU 63 1.836 -5.788 -28.695 251 1HD1 LEU 63 2HD1 LEU 63 3.221 -3.747 -30.260 252 2HD1 LEU 63 1HD1 LEU 63 1.603 -3.234 -29.781 253 3HD1 LEU 63 3HD1 LEU 63 2.769 -3.734 -28.556 254 1HD2 LEU 63 2HD2 LEU 63 0.544 -6.139 -31.128 255 2HD2 LEU 63 1HD2 LEU 63 -0.213 -5.573 -29.639 256 3HD2 LEU 63 3HD2 LEU 63 0.373 -4.410 -30.828 257 H GLU 64 H GLU 64 5.224 -6.141 -27.393 258 HA GLU 64 HA GLU 64 3.531 -8.234 -26.183 259 1HB GLU 64 2HB GLU 64 5.952 -8.878 -27.436 260 2HB GLU 64 1HB GLU 64 6.352 -8.824 -25.719 261 1HG GLU 64 2HG GLU 64 3.960 -10.327 -26.806 262 2HG GLU 64 1HG GLU 64 5.537 -11.078 -26.561 263 HA PRO 65 HA PRO 65 5.201 -4.681 -23.516 264 1HB PRO 65 2HB PRO 65 2.486 -4.227 -22.680 265 2HB PRO 65 1HB PRO 65 3.530 -3.154 -23.616 266 1HG PRO 65 2HG PRO 65 1.250 -4.622 -24.538 267 2HG PRO 65 1HG PRO 65 2.317 -3.573 -25.477 268 1HD PRO 65 2HD PRO 65 2.147 -6.466 -25.573 269 2HD PRO 65 1HD PRO 65 3.200 -5.394 -26.529 270 H SER 66 H SER 66 5.022 -4.638 -21.101 271 HA SER 66 HA SER 66 5.095 -7.211 -19.902 272 1HB SER 66 2HB SER 66 5.288 -4.408 -19.179 273 2HB SER 66 1HB SER 66 4.437 -5.309 -17.927 274 HG SER 66 HG SER 66 6.818 -5.253 -17.819 275 H LYS 67 H LYS 67 2.565 -4.696 -19.461 276 HA LYS 67 HA LYS 67 0.535 -6.879 -19.266 277 1HB LYS 67 2HB LYS 67 1.657 -5.336 -17.136 278 2HB LYS 67 1HB LYS 67 -0.024 -4.840 -17.337 279 1HG LYS 67 2HG LYS 67 -0.641 -7.299 -17.354 280 2HG LYS 67 1HG LYS 67 1.022 -7.643 -16.873 281 1HD LYS 67 2HD LYS 67 0.306 -5.667 -15.094 282 2HD LYS 67 1HD LYS 67 -1.202 -6.563 -15.280 283 1HE LYS 67 2HE LYS 67 -0.092 -8.656 -14.691 284 2HE LYS 67 1HE LYS 67 1.481 -7.835 -14.631 285 1HZ LYS 67 2HZ LYS 67 -0.889 -7.130 -12.981 286 2HZ LYS 67 1HZ LYS 67 0.469 -7.985 -12.423 287 3HZ LYS 67 3HZ LYS 67 0.631 -6.372 -12.920 288 H LYS 68 H LYS 68 -1.737 -5.865 -19.272 289 HA LYS 68 HA LYS 68 -1.776 -3.323 -20.864 290 1HB LYS 68 2HB LYS 68 -3.346 -5.890 -21.279 291 2HB LYS 68 1HB LYS 68 -3.544 -4.419 -22.231 292 1HG LYS 68 2HG LYS 68 -0.996 -4.612 -22.678 293 2HG LYS 68 1HG LYS 68 -1.171 -6.276 -22.118 294 1HD LYS 68 2HD LYS 68 -3.070 -5.220 -24.189 295 2HD LYS 68 1HD LYS 68 -1.451 -5.724 -24.678 296 1HE LYS 68 2HE LYS 68 -1.969 -7.926 -24.447 297 2HE LYS 68 1HE LYS 68 -2.752 -7.650 -22.877 298 1HZ LYS 68 2HZ LYS 68 -4.555 -6.499 -24.237 299 2HZ LYS 68 1HZ LYS 68 -3.887 -7.287 -25.585 300 3HZ LYS 68 3HZ LYS 68 -4.509 -8.197 -24.295 301 H ILE 69 H ILE 69 -3.832 -2.129 -20.649 302 HA ILE 69 HA ILE 69 -4.918 -2.250 -17.953 303 HB ILE 69 HB ILE 69 -4.517 -0.220 -19.468 304 1HG1 ILE 69 2HG1 ILE 69 -6.467 0.981 -18.563 305 2HG1 ILE 69 1HG1 ILE 69 -7.255 -0.558 -18.214 306 1HG2 ILE 69 2HG2 ILE 69 -7.095 -1.235 -20.689 307 2HG2 ILE 69 1HG2 ILE 69 -6.457 0.391 -20.924 308 3HG2 ILE 69 3HG2 ILE 69 -5.554 -1.002 -21.509 309 1HD1 ILE 69 3HD1 ILE 69 -4.506 -0.058 -17.125 310 2HD1 ILE 69 2HD1 ILE 69 -5.891 0.688 -16.326 311 3HD1 ILE 69 1HD1 ILE 69 -5.799 -1.067 -16.474 312 H VAL 70 H VAL 70 -6.955 -3.020 -17.317 313 HA VAL 70 HA VAL 70 -8.835 -4.038 -19.364 314 HB VAL 70 HB VAL 70 -7.825 -5.863 -17.167 315 1HG1 VAL 70 1HG1 VAL 70 -10.011 -6.346 -18.240 316 2HG1 VAL 70 3HG1 VAL 70 -9.213 -6.371 -19.814 317 3HG1 VAL 70 2HG1 VAL 70 -8.814 -7.590 -18.602 318 1HG2 VAL 70 2HG2 VAL 70 -6.826 -5.621 -20.026 319 2HG2 VAL 70 1HG2 VAL 70 -5.880 -5.364 -18.560 320 3HG2 VAL 70 3HG2 VAL 70 -6.466 -6.979 -18.961 321 H VAL 71 H VAL 71 -10.473 -2.698 -18.577 322 HA VAL 71 HA VAL 71 -11.591 -3.407 -15.938 323 HB VAL 71 HB VAL 71 -10.591 -0.643 -16.694 324 1HG1 VAL 71 2HG1 VAL 71 -12.566 -1.577 -14.675 325 2HG1 VAL 71 1HG1 VAL 71 -11.379 -0.396 -14.124 326 3HG1 VAL 71 3HG1 VAL 71 -12.436 -0.015 -15.484 327 1HG2 VAL 71 1HG2 VAL 71 -9.794 -2.710 -14.637 328 2HG2 VAL 71 3HG2 VAL 71 -8.780 -1.938 -15.857 329 3HG2 VAL 71 2HG2 VAL 71 -9.350 -1.011 -14.469 330 H SER 72 H SER 72 -12.202 -0.397 -17.702 331 HA SER 72 HA SER 72 -14.628 -1.499 -18.983 332 1HB SER 72 2HB SER 72 -14.869 -0.788 -16.433 333 2HB SER 72 1HB SER 72 -14.964 0.829 -17.125 334 HG SER 72 HG SER 72 -16.846 -1.047 -17.011 335 H THR 73 H THR 73 -14.788 -0.469 -20.946 336 HA THR 73 HA THR 73 -13.117 1.730 -21.716 337 HB THR 73 HB THR 73 -14.106 0.032 -23.227 338 HG1 THR 73 HG1 THR 73 -15.006 1.660 -24.745 339 1HG2 THR 73 2HG2 THR 73 -16.351 0.152 -21.908 340 2HG2 THR 73 1HG2 THR 73 -16.730 1.485 -22.998 341 3HG2 THR 73 3HG2 THR 73 -16.409 -0.122 -23.648 342 H LYS 74 H LYS 74 -16.495 1.575 -20.586 343 HA LYS 74 HA LYS 74 -17.313 4.227 -21.100 344 1HB LYS 74 2HB LYS 74 -17.857 2.227 -18.908 345 2HB LYS 74 1HB LYS 74 -18.683 3.783 -18.947 346 1HG LYS 74 2HG LYS 74 -20.185 2.696 -20.266 347 2HG LYS 74 1HG LYS 74 -18.988 2.957 -21.536 348 1HD LYS 74 2HD LYS 74 -18.465 0.758 -21.643 349 2HD LYS 74 1HD LYS 74 -18.406 0.605 -19.886 350 1HE LYS 74 2HE LYS 74 -20.968 0.665 -19.928 351 2HE LYS 74 1HE LYS 74 -20.839 0.431 -21.682 352 1HZ LYS 74 2HZ LYS 74 -19.307 -1.458 -21.181 353 2HZ LYS 74 1HZ LYS 74 -19.742 -1.313 -19.545 354 3HZ LYS 74 3HZ LYS 74 -20.916 -1.718 -20.700 355 H TYR 75 H TYR 75 -15.610 2.918 -18.248 356 HA TYR 75 HA TYR 75 -15.333 5.328 -16.775 357 1HB TYR 75 2HB TYR 75 -14.653 3.537 -15.522 358 2HB TYR 75 1HB TYR 75 -14.186 2.615 -16.943 359 HD1 TYR 75 HD1 TYR 75 -13.034 5.684 -15.069 360 HD2 TYR 75 HD2 TYR 75 -11.927 2.069 -17.155 361 HE1 TYR 75 HE1 TYR 75 -10.634 6.123 -14.560 362 HE2 TYR 75 HE2 TYR 75 -9.533 2.505 -16.644 363 HH TYR 75 HH TYR 75 -8.187 4.963 -16.071 364 H LEU 76 H LEU 76 -13.086 3.833 -19.130 365 HA LEU 76 HA LEU 76 -11.046 5.745 -19.195 366 1HB LEU 76 2HB LEU 76 -12.124 3.607 -20.803 367 2HB LEU 76 1HB LEU 76 -11.607 4.921 -21.853 368 HG LEU 76 HG LEU 76 -9.749 3.371 -21.447 369 1HD1 LEU 76 2HD1 LEU 76 -9.567 6.017 -21.448 370 2HD1 LEU 76 1HD1 LEU 76 -9.064 5.762 -19.778 371 3HD1 LEU 76 3HD1 LEU 76 -8.156 5.021 -21.097 372 1HD2 LEU 76 1HD2 LEU 76 -10.587 2.603 -19.212 373 2HD2 LEU 76 3HD2 LEU 76 -8.876 3.025 -19.203 374 3HD2 LEU 76 2HD2 LEU 76 -10.062 4.143 -18.531 375 H GLN 77 H GLN 77 -14.151 5.793 -20.972 376 HA GLN 77 HA GLN 77 -13.711 8.176 -22.466 377 1HB GLN 77 2HB GLN 77 -15.737 6.287 -21.992 378 2HB GLN 77 1HB GLN 77 -16.446 7.838 -21.538 379 1HG GLN 77 2HG GLN 77 -14.895 7.581 -24.102 380 2HG GLN 77 1HG GLN 77 -16.585 7.079 -24.035 381 1HE2 GLN 77 2HE2 GLN 77 -15.662 11.030 -24.075 382 2HE2 GLN 77 1HE2 GLN 77 -14.452 9.840 -24.126 383 H GLN 78 H GLN 78 -15.292 7.731 -19.276 384 HA GLN 78 HA GLN 78 -15.878 10.447 -18.730 385 1HB GLN 78 2HB GLN 78 -16.399 8.199 -17.494 386 2HB GLN 78 1HB GLN 78 -14.879 8.502 -16.653 387 1HG GLN 78 2HG GLN 78 -15.736 10.242 -15.458 388 2HG GLN 78 1HG GLN 78 -16.699 10.827 -16.816 389 1HE2 GLN 78 2HE2 GLN 78 -18.976 9.374 -14.178 390 2HE2 GLN 78 1HE2 GLN 78 -17.774 10.572 -14.141 391 H LEU 79 H LEU 79 -12.844 8.726 -18.733 392 HA LEU 79 HA LEU 79 -11.363 10.701 -17.160 393 1HB LEU 79 2HB LEU 79 -10.997 8.131 -17.620 394 2HB LEU 79 1HB LEU 79 -10.178 8.708 -19.075 395 HG LEU 79 HG LEU 79 -8.849 10.257 -17.531 396 1HD1 LEU 79 1HD1 LEU 79 -10.626 9.594 -15.640 397 2HD1 LEU 79 3HD1 LEU 79 -9.443 8.322 -15.336 398 3HD1 LEU 79 2HD1 LEU 79 -8.960 10.016 -15.239 399 1HD2 LEU 79 2HD2 LEU 79 -8.297 7.801 -18.475 400 2HD2 LEU 79 1HD2 LEU 79 -7.180 8.677 -17.427 401 3HD2 LEU 79 3HD2 LEU 79 -8.246 7.446 -16.748 402 H GLN 80 H GLN 80 -11.716 9.865 -20.595 403 HA GLN 80 HA GLN 80 -9.833 11.797 -21.592 404 1HB GLN 80 2HB GLN 80 -11.709 9.791 -22.506 405 2HB GLN 80 1HB GLN 80 -11.805 11.226 -23.525 406 1HG GLN 80 2HG GLN 80 -9.780 10.817 -24.445 407 2HG GLN 80 1HG GLN 80 -9.048 10.524 -22.869 408 1HE2 GLN 80 2HE2 GLN 80 -10.290 6.993 -23.013 409 2HE2 GLN 80 1HE2 GLN 80 -10.566 8.311 -21.979 410 H LYS 81 H LYS 81 -13.425 11.820 -21.479 411 HA LYS 81 HA LYS 81 -13.764 14.471 -22.481 412 1HB LYS 81 2HB LYS 81 -15.547 12.774 -22.272 413 2HB LYS 81 1HB LYS 81 -15.410 12.838 -20.515 414 1HG LYS 81 2HG LYS 81 -15.793 15.448 -20.966 415 2HG LYS 81 1HG LYS 81 -16.608 14.819 -22.398 416 1HD LYS 81 2HD LYS 81 -18.026 13.394 -20.999 417 2HD LYS 81 1HD LYS 81 -17.182 13.945 -19.552 418 1HE LYS 81 2HE LYS 81 -18.370 15.887 -19.473 419 2HE LYS 81 1HE LYS 81 -18.211 16.147 -21.221 420 1HZ LYS 81 1HZ LYS 81 -19.841 14.382 -21.581 421 2HZ LYS 81 3HZ LYS 81 -20.031 14.199 -19.906 422 3HZ LYS 81 2HZ LYS 81 -20.502 15.647 -20.660 423 H ASP 82 H ASP 82 -13.337 13.258 -19.146 424 HA ASP 82 HA ASP 82 -13.702 15.708 -17.758 425 1HB ASP 82 2HB ASP 82 -13.424 13.431 -16.768 426 2HB ASP 82 1HB ASP 82 -11.722 13.462 -17.232 427 H LEU 83 H LEU 83 -10.844 14.338 -19.376 428 HA LEU 83 HA LEU 83 -8.970 16.382 -18.685 429 1HB LEU 83 2HB LEU 83 -8.489 14.138 -19.678 430 2HB LEU 83 1HB LEU 83 -9.199 14.689 -21.196 431 HG LEU 83 HG LEU 83 -7.114 16.448 -20.033 432 1HD1 LEU 83 2HD1 LEU 83 -6.458 13.879 -19.831 433 2HD1 LEU 83 1HD1 LEU 83 -6.155 14.057 -21.560 434 3HD1 LEU 83 3HD1 LEU 83 -5.289 15.068 -20.405 435 1HD2 LEU 83 1HD2 LEU 83 -8.042 15.489 -22.727 436 2HD2 LEU 83 3HD2 LEU 83 -7.873 17.141 -22.133 437 3HD2 LEU 83 2HD2 LEU 83 -6.440 16.209 -22.568 438 H ASN 84 H ASN 84 -11.265 16.056 -21.396 439 HA ASN 84 HA ASN 84 -10.462 18.452 -22.785 440 1HB ASN 84 2HB ASN 84 -12.202 16.298 -23.097 441 2HB ASN 84 1HB ASN 84 -13.277 17.689 -22.986 442 1HD2 ASN 84 2HD2 ASN 84 -10.563 17.585 -26.085 443 2HD2 ASN 84 1HD2 ASN 84 -10.188 16.785 -24.636 444 H ASP 85 H ASP 85 -12.695 17.763 -20.138 445 HA ASP 85 HA ASP 85 -14.040 20.315 -20.115 446 1HB ASP 85 2HB ASP 85 -14.435 17.957 -18.924 447 2HB ASP 85 1HB ASP 85 -13.522 18.724 -17.625 448 H LYS 86 H LYS 86 -10.884 19.279 -19.125 449 HA LYS 86 HA LYS 86 -10.428 21.531 -17.280 450 1HB LYS 86 2HB LYS 86 -8.588 19.498 -18.602 451 2HB LYS 86 1HB LYS 86 -8.120 20.586 -17.295 452 1HG LYS 86 2HG LYS 86 -10.372 18.570 -17.095 453 2HG LYS 86 1HG LYS 86 -8.736 18.285 -16.502 454 1HD LYS 86 2HD LYS 86 -9.024 20.466 -15.167 455 2HD LYS 86 1HD LYS 86 -10.744 20.322 -15.533 456 1HE LYS 86 2HE LYS 86 -9.415 17.867 -14.485 457 2HE LYS 86 1HE LYS 86 -9.662 19.195 -13.333 458 1HZ LYS 86 2HZ LYS 86 -11.804 18.375 -15.195 459 2HZ LYS 86 1HZ LYS 86 -11.594 17.573 -13.713 460 3HZ LYS 86 3HZ LYS 86 -11.936 19.234 -13.735 461 H THR 87 H THR 87 -10.034 20.692 -20.638 462 HA THR 87 HA THR 87 -8.326 22.967 -21.332 463 HB THR 87 HB THR 87 -9.881 20.805 -22.793 464 HG1 THR 87 HG1 THR 87 -7.109 21.361 -22.607 465 1HG2 THR 87 3HG2 THR 87 -8.985 23.326 -23.837 466 2HG2 THR 87 2HG2 THR 87 -8.019 22.029 -24.541 467 3HG2 THR 87 1HG2 THR 87 -9.776 21.997 -24.685 468 H GLU 88 H GLU 88 -11.757 22.032 -21.599 469 HA GLU 88 HA GLU 88 -12.676 24.378 -22.976 470 1HB GLU 88 2HB GLU 88 -13.886 22.283 -21.165 471 2HB GLU 88 1HB GLU 88 -14.867 23.606 -21.797 472 1HG GLU 88 2HG GLU 88 -13.164 21.968 -23.660 473 2HG GLU 88 1HG GLU 88 -14.746 21.375 -23.152 474 H GLU 89 H GLU 89 -12.113 23.578 -19.587 475 HA GLU 89 HA GLU 89 -13.306 25.981 -18.475 476 1HB GLU 89 2HB GLU 89 -11.718 23.638 -17.645 477 2HB GLU 89 1HB GLU 89 -11.386 25.091 -16.701 478 1HG GLU 89 2HG GLU 89 -14.108 25.182 -16.826 479 2HG GLU 89 1HG GLU 89 -13.838 23.439 -16.822 480 H ASN 90 H ASN 90 -9.948 24.958 -19.148 481 HA ASN 90 HA ASN 90 -8.578 27.327 -18.441 482 1HB ASN 90 2HB ASN 90 -8.191 24.895 -19.980 483 2HB ASN 90 1HB ASN 90 -7.393 26.251 -20.774 484 1HD2 ASN 90 2HD2 ASN 90 -5.459 24.614 -17.786 485 2HD2 ASN 90 1HD2 ASN 90 -6.549 23.844 -18.833 486 H ASN 91 H ASN 91 -10.582 26.553 -21.195 487 HA ASN 91 HA ASN 91 -9.786 28.806 -22.858 488 1HB ASN 91 2HB ASN 91 -11.636 26.516 -22.837 489 2HB ASN 91 1HB ASN 91 -12.287 27.926 -23.668 490 1HD2 ASN 91 2HD2 ASN 91 -9.117 25.907 -25.272 491 2HD2 ASN 91 1HD2 ASN 91 -9.657 25.546 -23.703 492 H ARG 92 H ARG 92 -12.360 28.123 -20.512 493 HA ARG 92 HA ARG 92 -13.714 30.693 -20.958 494 1HB ARG 92 2HB ARG 92 -14.596 28.346 -20.172 495 2HB ARG 92 1HB ARG 92 -14.055 28.886 -18.581 496 1HG ARG 92 2HG ARG 92 -15.608 30.606 -18.481 497 2HG ARG 92 1HG ARG 92 -15.718 30.747 -20.236 498 1HD ARG 92 2HD ARG 92 -17.277 29.049 -20.410 499 2HD ARG 92 1HD ARG 92 -16.634 28.178 -19.004 500 HE ARG 92 HE ARG 92 -17.678 29.931 -17.568 501 1HH1 ARG 92 2HH1 ARG 92 -18.480 32.218 -18.717 502 2HH1 ARG 92 1HH1 ARG 92 -20.027 31.952 -19.450 503 1HH2 ARG 92 1HH2 ARG 92 -19.730 28.498 -19.446 504 2HH2 ARG 92 2HH2 ARG 92 -20.735 29.846 -19.863 505 H LEU 93 H LEU 93 -12.077 29.200 -18.142 506 HA LEU 93 HA LEU 93 -11.927 31.397 -16.427 507 1HB LEU 93 2HB LEU 93 -11.221 29.146 -15.842 508 2HB LEU 93 1HB LEU 93 -9.935 29.192 -17.047 509 HG LEU 93 HG LEU 93 -9.991 31.306 -14.925 510 1HD1 LEU 93 3HD1 LEU 93 -10.150 28.683 -14.163 511 2HD1 LEU 93 2HD1 LEU 93 -8.404 28.891 -14.311 512 3HD1 LEU 93 1HD1 LEU 93 -9.328 29.935 -13.230 513 1HD2 LEU 93 3HD2 LEU 93 -8.270 30.453 -17.030 514 2HD2 LEU 93 2HD2 LEU 93 -7.996 31.756 -15.872 515 3HD2 LEU 93 1HD2 LEU 93 -7.439 30.122 -15.510 516 H LYS 94 H LYS 94 -10.056 30.746 -19.335 517 HA LYS 94 HA LYS 94 -8.089 32.856 -18.874 518 1HB LYS 94 2HB LYS 94 -7.671 30.816 -20.216 519 2HB LYS 94 1HB LYS 94 -8.926 31.309 -21.353 520 1HG LYS 94 2HG LYS 94 -7.581 33.492 -21.615 521 2HG LYS 94 1HG LYS 94 -6.263 32.628 -20.822 522 1HD LYS 94 2HD LYS 94 -6.430 30.845 -22.551 523 2HD LYS 94 1HD LYS 94 -7.678 31.786 -23.367 524 1HE LYS 94 2HE LYS 94 -6.165 33.505 -23.965 525 2HE LYS 94 1HE LYS 94 -4.969 32.987 -22.759 526 1HZ LYS 94 3HZ LYS 94 -5.857 31.371 -25.090 527 2HZ LYS 94 2HZ LYS 94 -4.386 32.215 -24.995 528 3HZ LYS 94 1HZ LYS 94 -4.693 30.913 -23.945 529 H ALA 95 H ALA 95 -11.160 32.506 -20.615 530 HA ALA 95 HA ALA 95 -10.965 35.214 -21.776 531 1HB ALA 95 2HB ALA 95 -12.711 32.807 -21.934 532 2HB ALA 95 1HB ALA 95 -13.479 34.353 -22.290 533 3HB ALA 95 3HB ALA 95 -12.085 33.825 -23.231 534 H LEU 96 H LEU 96 -12.162 33.749 -18.880 535 HA LEU 96 HA LEU 96 -14.188 35.805 -18.330 536 1HB LEU 96 2HB LEU 96 -13.567 33.196 -17.504 537 2HB LEU 96 1HB LEU 96 -13.260 34.197 -16.083 538 HG LEU 96 HG LEU 96 -15.533 35.267 -16.496 539 1HD1 LEU 96 2HD1 LEU 96 -15.472 33.161 -18.614 540 2HD1 LEU 96 1HD1 LEU 96 -17.002 33.445 -17.786 541 3HD1 LEU 96 3HD1 LEU 96 -16.208 34.763 -18.646 542 1HD2 LEU 96 3HD2 LEU 96 -14.830 33.096 -15.025 543 2HD2 LEU 96 2HD2 LEU 96 -16.465 33.756 -15.049 544 3HD2 LEU 96 1HD2 LEU 96 -16.056 32.375 -16.068 545 H LEU 97 H LEU 97 -10.788 35.269 -17.703 546 HA LEU 97 HA LEU 97 -10.689 37.355 -15.604 547 1HB LEU 97 2HB LEU 97 -8.713 35.461 -16.898 548 2HB LEU 97 1HB LEU 97 -8.215 36.677 -15.720 549 HG LEU 97 HG LEU 97 -10.280 34.504 -15.251 550 1HD1 LEU 97 3HD1 LEU 97 -7.403 34.559 -15.029 551 2HD1 LEU 97 2HD1 LEU 97 -8.118 34.378 -13.427 552 3HD1 LEU 97 1HD1 LEU 97 -8.510 33.225 -14.703 553 1HD2 LEU 97 3HD2 LEU 97 -9.587 36.994 -13.848 554 2HD2 LEU 97 2HD2 LEU 97 -11.012 35.969 -13.677 555 3HD2 LEU 97 1HD2 LEU 97 -9.529 35.569 -12.812 556 H LEU 98 H LEU 98 -9.575 36.814 -18.942 557 HA LEU 98 HA LEU 98 -8.192 39.350 -19.179 558 1HB LEU 98 2HB LEU 98 -9.389 37.487 -21.254 559 2HB LEU 98 1HB LEU 98 -8.164 38.717 -21.560 560 HG LEU 98 HG LEU 98 -7.801 36.443 -19.599 561 1HD1 LEU 98 1HD1 LEU 98 -8.067 35.775 -22.063 562 2HD1 LEU 98 3HD1 LEU 98 -6.571 36.662 -22.353 563 3HD1 LEU 98 2HD1 LEU 98 -6.574 35.268 -21.272 564 1HD2 LEU 98 1HD2 LEU 98 -6.401 38.865 -20.054 565 2HD2 LEU 98 3HD2 LEU 98 -5.896 37.511 -19.042 566 3HD2 LEU 98 2HD2 LEU 98 -5.403 37.579 -20.733 567 H GLU 99 H GLU 99 -11.498 38.345 -19.410 568 HA GLU 99 HA GLU 99 -12.473 40.512 -21.071 569 1HB GLU 99 2HB GLU 99 -13.630 38.361 -20.751 570 2HB GLU 99 1HB GLU 99 -13.822 38.711 -19.033 571 1HG GLU 99 2HG GLU 99 -15.890 39.374 -19.925 572 2HG GLU 99 1HG GLU 99 -14.996 40.892 -19.853 573 H ARG 100 HN ARG 100 -12.095 40.039 -17.574 574 HA ARG 100 HA ARG 100 -12.688 42.954 -17.202 575 1HB ARG 100 2HB ARG 100 -14.529 41.209 -16.607 576 2HB ARG 100 1HB ARG 100 -13.494 40.812 -15.235 577 1HG ARG 100 2HG ARG 100 -13.935 43.703 -15.654 578 2HG ARG 100 1HG ARG 100 -15.376 42.792 -15.201 579 1HD ARG 100 2HD ARG 100 -14.166 41.849 -13.250 580 2HD ARG 100 1HD ARG 100 -12.736 42.804 -13.692 581 HE ARG 100 HE ARG 100 -15.244 44.333 -13.432 582 1HH1 ARG 100 1HH1 ARG 100 -13.369 46.197 -13.044 583 2HH1 ARG 100 2HH1 ARG 100 -12.850 46.128 -11.393 584 1HH2 ARG 100 1HH2 ARG 100 -14.124 42.949 -10.848 585 2HH2 ARG 100 2HH2 ARG 100 -13.277 44.289 -10.150 586 1H MET 30 1H MET 30 -24.873 -26.683 -33.320 587 2H MET 30 3H MET 30 -23.680 -27.849 -33.011 588 3H MET 30 2H MET 30 -25.220 -28.332 -33.544 589 HA MET 30 HA MET 30 -26.235 -27.791 -31.503 590 1HB MET 30 2HB MET 30 -24.540 -29.778 -31.812 591 2HB MET 30 1HB MET 30 -23.544 -28.858 -30.681 592 1HG MET 30 2HG MET 30 -26.001 -28.759 -29.462 593 2HG MET 30 1HG MET 30 -26.033 -30.361 -30.198 594 1HE MET 30 3HE MET 30 -24.464 -32.041 -30.055 595 2HE MET 30 2HE MET 30 -23.537 -32.452 -28.614 596 3HE MET 30 1HE MET 30 -25.294 -32.361 -28.525 597 H SER 31 H SER 31 -26.486 -25.869 -30.423 598 HA SER 31 HA SER 31 -24.038 -24.595 -29.245 599 1HB SER 31 2HB SER 31 -25.253 -23.616 -31.403 600 2HB SER 31 1HB SER 31 -26.369 -22.971 -30.203 601 HG SER 31 HG SER 31 -24.481 -21.637 -30.767 602 H VAL 32 H VAL 32 -24.836 -25.847 -27.296 603 HA VAL 32 HA VAL 32 -26.950 -24.275 -25.870 604 HB VAL 32 HB VAL 32 -26.598 -27.292 -25.909 605 1HG1 VAL 32 3HG1 VAL 32 -28.011 -25.469 -24.156 606 2HG1 VAL 32 2HG1 VAL 32 -29.149 -26.533 -24.982 607 3HG1 VAL 32 1HG1 VAL 32 -27.835 -27.219 -24.027 608 1HG2 VAL 32 2HG2 VAL 32 -28.384 -25.394 -27.412 609 2HG2 VAL 32 1HG2 VAL 32 -27.530 -26.820 -28.003 610 3HG2 VAL 32 3HG2 VAL 32 -28.973 -27.007 -27.007 611 H ALA 33 H ALA 33 -24.178 -23.846 -25.555 612 HA ALA 33 HA ALA 33 -23.728 -24.967 -22.809 613 1HB ALA 33 2HB ALA 33 -22.045 -24.946 -25.272 614 2HB ALA 33 1HB ALA 33 -21.215 -24.673 -23.739 615 3HB ALA 33 3HB ALA 33 -22.140 -26.155 -23.990 616 H CYS 34 H CYS 34 -22.557 -23.513 -21.389 617 HA CYS 34 HA CYS 34 -23.197 -20.757 -21.580 618 1HB CYS 34 2HB CYS 34 -20.918 -22.124 -20.114 619 2HB CYS 34 1HB CYS 34 -21.610 -20.555 -19.708 620 H LEU 35 H LEU 35 -21.221 -19.078 -21.418 621 HA LEU 35 HA LEU 35 -19.964 -19.028 -24.021 622 1HB LEU 35 2HB LEU 35 -20.199 -17.378 -21.591 623 2HB LEU 35 1HB LEU 35 -18.695 -17.142 -22.478 624 HG LEU 35 HG LEU 35 -21.316 -17.184 -23.951 625 1HD1 LEU 35 1HD1 LEU 35 -20.477 -15.230 -21.966 626 2HD1 LEU 35 3HD1 LEU 35 -20.627 -14.496 -23.563 627 3HD1 LEU 35 2HD1 LEU 35 -22.001 -15.338 -22.848 628 1HD2 LEU 35 2HD2 LEU 35 -18.498 -16.488 -24.450 629 2HD2 LEU 35 1HD2 LEU 35 -19.756 -16.964 -25.590 630 3HD2 LEU 35 3HD2 LEU 35 -19.645 -15.289 -25.048 631 H SER 36 H SER 36 -18.844 -19.718 -20.742 632 HA SER 36 HA SER 36 -16.053 -20.037 -21.387 633 1HB SER 36 2HB SER 36 -17.734 -20.069 -19.143 634 2HB SER 36 1HB SER 36 -17.060 -21.695 -19.205 635 HG SER 36 HG SER 36 -15.746 -20.167 -18.055 636 H CYS 37 H CYS 37 -18.740 -22.365 -21.019 637 HA CYS 37 HA CYS 37 -17.255 -24.725 -21.654 638 1HB CYS 37 2HB CYS 37 -20.178 -24.041 -22.137 639 2HB CYS 37 1HB CYS 37 -19.504 -25.664 -22.002 640 H ARG 38 H ARG 38 -18.605 -22.166 -23.622 641 HA ARG 38 HA ARG 38 -18.575 -23.627 -26.141 642 1HB ARG 38 2HB ARG 38 -18.991 -20.844 -25.135 643 2HB ARG 38 1HB ARG 38 -18.596 -21.032 -26.844 644 1HG ARG 38 2HG ARG 38 -20.857 -22.448 -25.400 645 2HG ARG 38 1HG ARG 38 -21.042 -21.070 -26.486 646 1HD ARG 38 2HD ARG 38 -19.513 -22.881 -27.966 647 2HD ARG 38 1HD ARG 38 -20.724 -23.892 -27.152 648 HE ARG 38 HE ARG 38 -22.378 -22.032 -27.982 649 1HH1 ARG 38 2HH1 ARG 38 -21.671 -20.339 -29.787 650 2HH1 ARG 38 1HH1 ARG 38 -21.293 -21.140 -31.276 651 1HH2 ARG 38 1HH2 ARG 38 -20.963 -24.267 -29.816 652 2HH2 ARG 38 2HH2 ARG 38 -20.892 -23.364 -31.292 653 H LYS 39 H LYS 39 -16.386 -21.329 -24.513 654 HA LYS 39 HA LYS 39 -14.479 -21.001 -26.593 655 1HB LYS 39 2HB LYS 39 -14.583 -19.669 -24.531 656 2HB LYS 39 1HB LYS 39 -14.172 -21.092 -23.573 657 1HG LYS 39 2HG LYS 39 -12.318 -20.427 -25.797 658 2HG LYS 39 1HG LYS 39 -12.319 -19.321 -24.422 659 1HD LYS 39 2HD LYS 39 -12.086 -21.356 -22.923 660 2HD LYS 39 1HD LYS 39 -11.801 -22.302 -24.385 661 1HE LYS 39 2HE LYS 39 -10.183 -19.808 -24.011 662 2HE LYS 39 1HE LYS 39 -9.754 -21.238 -23.051 663 1HZ LYS 39 2HZ LYS 39 -10.005 -22.507 -25.219 664 2HZ LYS 39 1HZ LYS 39 -9.945 -20.997 -25.995 665 3HZ LYS 39 3HZ LYS 39 -8.626 -21.526 -25.069 666 H ARG 40 H ARG 40 -14.714 -23.476 -24.035 667 HA ARG 40 HA ARG 40 -12.454 -24.968 -25.300 668 1HB ARG 40 2HB ARG 40 -13.876 -25.317 -22.643 669 2HB ARG 40 1HB ARG 40 -12.387 -26.124 -23.134 670 1HG ARG 40 2HG ARG 40 -11.313 -23.880 -23.369 671 2HG ARG 40 1HG ARG 40 -12.789 -23.151 -22.736 672 1HD ARG 40 2HD ARG 40 -11.875 -23.441 -20.670 673 2HD ARG 40 1HD ARG 40 -12.182 -25.174 -20.893 674 HE ARG 40 HE ARG 40 -9.875 -25.017 -22.208 675 1HH1 ARG 40 1HH2 ARG 40 -9.386 -22.253 -21.095 676 2HH1 ARG 40 2HH2 ARG 40 -8.425 -22.603 -19.697 677 1HH2 ARG 40 2HH1 ARG 40 -9.254 -25.969 -19.642 678 2HH2 ARG 40 1HH1 ARG 40 -8.350 -24.707 -18.875 679 H HIS 41 H HIS 41 -15.729 -24.831 -25.611 680 HA HIS 41 HA HIS 41 -17.361 -26.354 -26.355 681 1HB HIS 41 2HB HIS 41 -14.856 -27.925 -27.042 682 2HB HIS 41 1HB HIS 41 -16.443 -28.119 -27.782 683 HD1 HIS 41 HD1 HIS 41 -17.091 -26.504 -29.632 684 HD2 HIS 41 HD2 HIS 41 -13.570 -25.390 -27.698 685 HE1 HIS 41 HE1 HIS 41 -16.106 -24.598 -30.978 686 H ILE 42 H ILE 42 -17.424 -26.543 -23.765 687 HA ILE 42 HA ILE 42 -16.669 -29.257 -22.838 688 HB ILE 42 HB ILE 42 -17.960 -26.901 -21.423 689 1HG1 ILE 42 2HG1 ILE 42 -15.049 -27.756 -21.447 690 2HG1 ILE 42 1HG1 ILE 42 -15.694 -26.441 -22.431 691 1HG2 ILE 42 2HG2 ILE 42 -16.796 -29.530 -20.522 692 2HG2 ILE 42 1HG2 ILE 42 -16.818 -28.139 -19.439 693 3HG2 ILE 42 3HG2 ILE 42 -18.331 -28.790 -20.068 694 1HD1 ILE 42 1HD1 ILE 42 -16.663 -25.904 -19.872 695 2HD1 ILE 42 3HD1 ILE 42 -15.013 -26.459 -19.596 696 3HD1 ILE 42 2HD1 ILE 42 -15.316 -25.089 -20.665 697 H LYS 43 H LYS 43 -18.239 -30.746 -22.082 698 HA LYS 43 HA LYS 43 -20.764 -30.793 -23.467 699 1HB LYS 43 2HB LYS 43 -19.155 -32.422 -21.652 700 2HB LYS 43 1HB LYS 43 -20.881 -32.581 -21.326 701 1HG LYS 43 2HG LYS 43 -20.410 -32.588 -24.177 702 2HG LYS 43 1HG LYS 43 -19.419 -33.823 -23.397 703 1HD LYS 43 2HD LYS 43 -21.566 -34.811 -23.934 704 2HD LYS 43 1HD LYS 43 -21.475 -34.610 -22.183 705 1HE LYS 43 2HE LYS 43 -23.537 -33.628 -22.486 706 2HE LYS 43 1HE LYS 43 -22.557 -32.207 -22.899 707 1HZ LYS 43 1HZ LYS 43 -22.461 -33.214 -25.215 708 2HZ LYS 43 3HZ LYS 43 -23.747 -34.205 -24.730 709 3HZ LYS 43 2HZ LYS 43 -23.939 -32.517 -24.746 710 H CYS 44 H CYS 44 -21.509 -28.573 -22.670 711 HA CYS 44 HA CYS 44 -22.179 -28.108 -19.921 712 1HB CYS 44 2HB CYS 44 -21.949 -26.510 -21.932 713 2HB CYS 44 1HB CYS 44 -23.598 -26.983 -22.340 714 HA PRO 45 HA PRO 45 -25.661 -30.957 -19.740 715 1HB PRO 45 2HB PRO 45 -26.698 -29.577 -17.441 716 2HB PRO 45 1HB PRO 45 -25.825 -31.110 -17.486 717 1HG PRO 45 2HG PRO 45 -24.881 -28.592 -16.508 718 2HG PRO 45 1HG PRO 45 -23.997 -30.118 -16.596 719 1HD PRO 45 2HD PRO 45 -23.635 -27.749 -18.220 720 2HD PRO 45 1HD PRO 45 -22.711 -29.269 -18.274 721 H GLY 46 H GLY 46 -25.842 -27.478 -19.841 722 1HA GLY 46 2HA GLY 46 -27.390 -26.246 -21.197 723 2HA GLY 46 1HA GLY 46 -28.430 -27.667 -21.257 724 H GLY 47 H GLY 47 -27.234 -25.206 -18.974 725 1HA GLY 47 2HA GLY 47 -29.927 -24.795 -17.938 726 2HA GLY 47 1HA GLY 47 -28.868 -25.611 -16.787 727 H ASN 48 H ASN 48 -29.871 -23.087 -16.174 728 HA ASN 48 HA ASN 48 -27.353 -21.498 -16.156 729 1HB ASN 48 2HB ASN 48 -29.867 -20.920 -17.554 730 2HB ASN 48 1HB ASN 48 -29.299 -19.590 -16.544 731 1HD2 ASN 48 2HD2 ASN 48 -26.183 -19.264 -18.377 732 2HD2 ASN 48 1HD2 ASN 48 -26.770 -19.229 -16.785 733 HA PRO 49 HA PRO 49 -26.076 -21.020 -14.712 734 1HB PRO 49 2HB PRO 49 -25.451 -22.406 -12.279 735 2HB PRO 49 1HB PRO 49 -25.043 -20.747 -12.711 736 1HG PRO 49 2HG PRO 49 -26.931 -21.625 -10.764 737 2HG PRO 49 1HG PRO 49 -26.578 -19.969 -11.257 738 1HD PRO 49 2HD PRO 49 -28.939 -21.563 -11.853 739 2HD PRO 49 1HD PRO 49 -28.637 -19.851 -12.239 740 H CYS 50 H CYS 50 -25.154 -22.776 -15.808 741 HA CYS 50 HA CYS 50 -26.610 -25.235 -16.093 742 1HB CYS 50 2HB CYS 50 -24.690 -25.852 -17.483 743 2HB CYS 50 1HB CYS 50 -25.091 -24.161 -17.768 744 H GLN 51 H GLN 51 -23.905 -26.803 -15.903 745 HA GLN 51 HA GLN 51 -23.827 -27.064 -12.924 746 1HB GLN 51 2HB GLN 51 -25.378 -28.674 -14.266 747 2HB GLN 51 1HB GLN 51 -23.871 -29.443 -14.772 748 1HG GLN 51 2HG GLN 51 -24.056 -30.627 -12.844 749 2HG GLN 51 1HG GLN 51 -23.479 -29.151 -12.067 750 1HE2 GLN 51 2HE2 GLN 51 -26.779 -28.195 -10.935 751 2HE2 GLN 51 1HE2 GLN 51 -25.319 -27.528 -11.487 752 H LYS 52 H LYS 52 -22.304 -27.947 -16.030 753 HA LYS 52 HA LYS 52 -19.877 -29.020 -15.057 754 1HB LYS 52 2HB LYS 52 -20.862 -27.649 -17.513 755 2HB LYS 52 1HB LYS 52 -19.113 -27.822 -17.343 756 1HG LYS 52 2HG LYS 52 -20.786 -30.218 -16.747 757 2HG LYS 52 1HG LYS 52 -20.621 -29.748 -18.439 758 1HD LYS 52 2HD LYS 52 -18.203 -29.848 -18.293 759 2HD LYS 52 1HD LYS 52 -18.279 -30.131 -16.554 760 1HE LYS 52 2HE LYS 52 -19.874 -32.160 -17.468 761 2HE LYS 52 1HE LYS 52 -18.685 -32.036 -18.780 762 1HZ LYS 52 1HZ LYS 52 -16.958 -31.898 -16.976 763 2HZ LYS 52 3HZ LYS 52 -18.161 -32.378 -15.881 764 3HZ LYS 52 2HZ LYS 52 -17.707 -33.413 -17.149 765 H CYS 53 H CYS 53 -20.937 -25.682 -15.230 766 HA CYS 53 HA CYS 53 -18.214 -24.680 -14.565 767 1HB CYS 53 2HB CYS 53 -20.866 -23.589 -15.401 768 2HB CYS 53 1HB CYS 53 -19.650 -22.506 -14.740 769 H VAL 54 H VAL 54 -21.516 -24.847 -13.289 770 HA VAL 54 HA VAL 54 -21.064 -23.374 -10.880 771 HB VAL 54 HB VAL 54 -22.974 -25.707 -11.249 772 1HG1 VAL 54 1HG1 VAL 54 -22.523 -23.892 -9.154 773 2HG1 VAL 54 3HG1 VAL 54 -23.983 -23.304 -9.955 774 3HG1 VAL 54 2HG1 VAL 54 -23.915 -24.959 -9.341 775 1HG2 VAL 54 3HG2 VAL 54 -23.329 -22.837 -12.179 776 2HG2 VAL 54 2HG2 VAL 54 -23.206 -24.248 -13.227 777 3HG2 VAL 54 1HG2 VAL 54 -24.590 -24.065 -12.162 778 H THR 55 H THR 55 -20.478 -26.655 -11.888 779 HA THR 55 HA THR 55 -19.884 -27.704 -9.239 780 HB THR 55 HB THR 55 -20.784 -28.968 -11.205 781 HG1 THR 55 HG1 THR 55 -19.919 -30.611 -10.261 782 1HG2 THR 55 2HG2 THR 55 -19.179 -27.708 -12.782 783 2HG2 THR 55 1HG2 THR 55 -17.990 -28.922 -12.316 784 3HG2 THR 55 3HG2 THR 55 -19.487 -29.410 -13.113 785 H SER 56 H SER 56 -18.037 -26.423 -11.986 786 HA SER 56 HA SER 56 -15.452 -27.121 -10.783 787 1HB SER 56 2HB SER 56 -16.543 -25.933 -13.268 788 2HB SER 56 1HB SER 56 -14.955 -25.336 -12.797 789 HG SER 56 HG SER 56 -14.485 -27.134 -13.896 790 H ASN 57 H ASN 57 -16.260 -23.920 -12.033 791 HA ASN 57 HA ASN 57 -16.595 -22.487 -9.653 792 1HB ASN 57 2HB ASN 57 -14.200 -21.588 -9.457 793 2HB ASN 57 1HB ASN 57 -14.459 -23.233 -8.900 794 1HD2 ASN 57 2HD2 ASN 57 -11.660 -24.025 -10.953 795 2HD2 ASN 57 1HD2 ASN 57 -12.208 -23.833 -9.357 796 H ALA 58 H ALA 58 -17.350 -22.383 -12.408 797 HA ALA 58 HA ALA 58 -16.275 -19.682 -13.164 798 1HB ALA 58 1HB ALA 58 -16.412 -22.231 -14.565 799 2HB ALA 58 3HB ALA 58 -17.222 -20.954 -15.473 800 3HB ALA 58 2HB ALA 58 -15.532 -20.767 -15.005 801 H ILE 59 H ILE 59 -17.828 -18.247 -14.153 802 HA ILE 59 HA ILE 59 -20.538 -18.518 -13.153 803 HB ILE 59 HB ILE 59 -19.320 -16.573 -15.139 804 1HG1 ILE 59 2HG1 ILE 59 -19.552 -16.361 -12.118 805 2HG1 ILE 59 1HG1 ILE 59 -18.056 -16.717 -12.984 806 1HG2 ILE 59 3HG2 ILE 59 -21.895 -16.749 -13.651 807 2HG2 ILE 59 2HG2 ILE 59 -21.153 -15.154 -13.780 808 3HG2 ILE 59 1HG2 ILE 59 -21.560 -16.059 -15.239 809 1HD1 ILE 59 2HD1 ILE 59 -18.909 -14.485 -14.310 810 2HD1 ILE 59 1HD1 ILE 59 -19.491 -14.153 -12.679 811 3HD1 ILE 59 3HD1 ILE 59 -17.776 -14.458 -12.959 812 H CYS 60 H CYS 60 -22.346 -19.061 -14.338 813 HA CYS 60 HA CYS 60 -21.868 -20.295 -17.006 814 1HB CYS 60 2HB CYS 60 -24.326 -20.469 -15.249 815 2HB CYS 60 1HB CYS 60 -23.816 -21.591 -16.502 816 H GLU 61 H GLU 61 -22.169 -18.733 -18.591 817 HA GLU 61 HA GLU 61 -24.785 -17.281 -18.568 818 1HB GLU 61 2HB GLU 61 -21.976 -16.201 -18.882 819 2HB GLU 61 1HB GLU 61 -23.386 -15.300 -19.441 820 1HG GLU 61 2HG GLU 61 -24.317 -15.226 -17.220 821 2HG GLU 61 1HG GLU 61 -23.096 -16.347 -16.614 822 H TYR 62 H TYR 62 -25.306 -16.423 -20.787 823 HA TYR 62 HA TYR 62 -23.976 -18.007 -22.961 824 1HB TYR 62 2HB TYR 62 -26.876 -17.633 -22.220 825 2HB TYR 62 1HB TYR 62 -26.419 -18.066 -23.867 826 HD1 TYR 62 HD2 TYR 62 -25.938 -19.096 -20.292 827 HD2 TYR 62 HD1 TYR 62 -25.950 -20.312 -24.434 828 HE1 TYR 62 HE2 TYR 62 -25.673 -21.474 -19.594 829 HE2 TYR 62 HE1 TYR 62 -25.686 -22.691 -23.736 830 HH TYR 62 HH TYR 62 -25.256 -24.071 -21.999 831 H LEU 63 H LEU 63 -24.097 -15.016 -21.920 832 HA LEU 63 HA LEU 63 -23.808 -13.783 -24.512 833 1HB LEU 63 2HB LEU 63 -26.380 -14.304 -23.995 834 2HB LEU 63 1HB LEU 63 -26.251 -12.791 -23.098 835 HG LEU 63 HG LEU 63 -24.931 -12.327 -25.541 836 1HD1 LEU 63 3HD1 LEU 63 -27.531 -13.846 -25.885 837 2HD1 LEU 63 2HD1 LEU 63 -26.802 -12.857 -27.150 838 3HD1 LEU 63 1HD1 LEU 63 -25.951 -14.277 -26.541 839 1HD2 LEU 63 3HD2 LEU 63 -26.888 -11.163 -23.927 840 2HD2 LEU 63 2HD2 LEU 63 -26.228 -10.477 -25.411 841 3HD2 LEU 63 1HD2 LEU 63 -27.712 -11.429 -25.464 842 H GLU 64 H GLU 64 -23.167 -11.543 -24.295 843 HA GLU 64 HA GLU 64 -23.170 -10.287 -21.628 844 1HB GLU 64 2HB GLU 64 -21.295 -11.901 -21.564 845 2HB GLU 64 1HB GLU 64 -20.622 -11.172 -23.023 846 1HG GLU 64 2HG GLU 64 -20.772 -8.946 -21.611 847 2HG GLU 64 1HG GLU 64 -20.763 -10.058 -20.242 848 HA PRO 65 HA PRO 65 -23.349 -7.403 -25.285 849 1HB PRO 65 2HB PRO 65 -24.944 -5.689 -23.615 850 2HB PRO 65 1HB PRO 65 -25.454 -6.602 -25.039 851 1HG PRO 65 2HG PRO 65 -26.114 -7.115 -22.300 852 2HG PRO 65 1HG PRO 65 -26.599 -8.040 -23.724 853 1HD PRO 65 2HD PRO 65 -24.691 -8.810 -21.684 854 2HD PRO 65 1HD PRO 65 -25.199 -9.735 -23.117 855 H SER 66 H SER 66 -23.182 -6.457 -21.828 856 HA SER 66 HA SER 66 -21.798 -4.021 -22.085 857 1HB SER 66 2HB SER 66 -21.364 -6.149 -19.969 858 2HB SER 66 1HB SER 66 -21.193 -4.408 -19.771 859 HG SER 66 HG SER 66 -23.211 -5.162 -19.004 860 H LYS 67 H LYS 67 -19.521 -3.516 -21.993 861 HA LYS 67 HA LYS 67 -17.660 -5.778 -22.615 862 1HB LYS 67 2HB LYS 67 -18.649 -3.736 -24.356 863 2HB LYS 67 1HB LYS 67 -16.937 -3.419 -24.073 864 1HG LYS 67 2HG LYS 67 -16.509 -5.869 -24.582 865 2HG LYS 67 1HG LYS 67 -18.186 -5.970 -25.118 866 1HD LYS 67 2HD LYS 67 -17.297 -3.721 -26.435 867 2HD LYS 67 1HD LYS 67 -15.866 -4.753 -26.454 868 1HE LYS 67 2HE LYS 67 -17.132 -6.575 -27.474 869 2HE LYS 67 1HE LYS 67 -18.634 -5.638 -27.348 870 1HZ LYS 67 2HZ LYS 67 -16.196 -4.787 -28.821 871 2HZ LYS 67 1HZ LYS 67 -17.611 -5.390 -29.541 872 3HZ LYS 67 3HZ LYS 67 -17.649 -3.913 -28.709 873 H LYS 68 H LYS 68 -15.316 -4.978 -22.407 874 HA LYS 68 HA LYS 68 -15.090 -2.838 -20.316 875 1HB LYS 68 2HB LYS 68 -13.732 -5.550 -20.466 876 2HB LYS 68 1HB LYS 68 -13.431 -4.336 -19.222 877 1HG LYS 68 2HG LYS 68 -15.990 -4.418 -18.815 878 2HG LYS 68 1HG LYS 68 -15.941 -5.931 -19.719 879 1HD LYS 68 2HD LYS 68 -13.988 -5.501 -17.482 880 2HD LYS 68 1HD LYS 68 -15.647 -5.963 -17.101 881 1HE LYS 68 2HE LYS 68 -15.308 -8.099 -17.802 882 2HE LYS 68 1HE LYS 68 -14.488 -7.560 -19.281 883 1HZ LYS 68 2HZ LYS 68 -12.613 -6.878 -17.720 884 2HZ LYS 68 1HZ LYS 68 -13.359 -7.878 -16.566 885 3HZ LYS 68 3HZ LYS 68 -12.799 -8.540 -18.024 886 H ILE 69 H ILE 69 -12.941 -1.799 -20.282 887 HA ILE 69 HA ILE 69 -11.841 -1.427 -22.950 888 HB ILE 69 HB ILE 69 -12.095 0.257 -21.032 889 1HG1 ILE 69 2HG1 ILE 69 -10.047 1.464 -21.672 890 2HG1 ILE 69 1HG1 ILE 69 -9.380 -0.023 -22.347 891 1HG2 ILE 69 2HG2 ILE 69 -9.621 -1.199 -20.074 892 2HG2 ILE 69 1HG2 ILE 69 -10.129 0.386 -19.493 893 3HG2 ILE 69 3HG2 ILE 69 -11.147 -1.024 -19.212 894 1HD1 ILE 69 3HD1 ILE 69 -12.068 0.918 -23.287 895 2HD1 ILE 69 2HD1 ILE 69 -10.619 1.703 -23.916 896 3HD1 ILE 69 1HD1 ILE 69 -10.854 -0.030 -24.146 897 H VAL 70 H VAL 70 -9.868 -2.207 -23.751 898 HA VAL 70 HA VAL 70 -8.098 -3.787 -21.982 899 HB VAL 70 HB VAL 70 -9.228 -5.011 -24.512 900 1HG1 VAL 70 1HG1 VAL 70 -7.098 -5.887 -23.582 901 2HG1 VAL 70 3HG1 VAL 70 -7.912 -6.186 -22.045 902 3HG1 VAL 70 2HG1 VAL 70 -8.395 -7.079 -23.489 903 1HG2 VAL 70 2HG2 VAL 70 -10.234 -5.305 -21.660 904 2HG2 VAL 70 1HG2 VAL 70 -11.140 -4.667 -23.031 905 3HG2 VAL 70 3HG2 VAL 70 -10.690 -6.373 -22.987 906 H VAL 71 H VAL 71 -6.349 -2.444 -22.475 907 HA VAL 71 HA VAL 71 -5.263 -2.660 -25.211 908 HB VAL 71 HB VAL 71 -6.048 -0.049 -23.875 909 1HG1 VAL 71 2HG1 VAL 71 -4.129 -0.685 -26.058 910 2HG1 VAL 71 1HG1 VAL 71 -5.215 0.677 -26.338 911 3HG1 VAL 71 3HG1 VAL 71 -4.147 0.674 -24.935 912 1HG2 VAL 71 1HG2 VAL 71 -6.985 -1.559 -26.320 913 2HG2 VAL 71 3HG2 VAL 71 -7.947 -0.985 -24.958 914 3HG2 VAL 71 2HG2 VAL 71 -7.289 0.167 -26.120 915 H SER 72 H SER 72 -4.433 -0.155 -22.849 916 HA SER 72 HA SER 72 -2.113 -1.694 -21.853 917 1HB SER 72 2HB SER 72 -1.793 -0.475 -24.192 918 2HB SER 72 1HB SER 72 -1.580 0.944 -23.171 919 HG SER 72 HG SER 72 0.149 -1.014 -23.694 920 H THR 73 H THR 73 -1.894 -1.127 -19.715 921 HA THR 73 HA THR 73 -3.393 0.984 -18.481 922 HB THR 73 HB THR 73 -2.560 -1.073 -17.375 923 HG1 THR 73 HG1 THR 73 -1.549 0.115 -15.548 924 1HG2 THR 73 2HG2 THR 73 -0.298 -0.853 -18.650 925 2HG2 THR 73 1HG2 THR 73 0.173 0.179 -17.300 926 3HG2 THR 73 3HG2 THR 73 -0.284 -1.500 -17.009 927 H LYS 74 H LYS 74 -0.027 0.802 -19.639 928 HA LYS 74 HA LYS 74 0.994 3.209 -18.572 929 1HB LYS 74 2HB LYS 74 1.403 1.687 -21.145 930 2HB LYS 74 1HB LYS 74 2.351 3.127 -20.778 931 1HG LYS 74 2HG LYS 74 3.745 1.663 -19.732 932 2HG LYS 74 1HG LYS 74 2.558 1.743 -18.428 933 1HD LYS 74 2HD LYS 74 1.860 -0.377 -18.791 934 2HD LYS 74 1HD LYS 74 1.807 -0.146 -20.539 935 1HE LYS 74 2HE LYS 74 4.365 -0.302 -20.503 936 2HE LYS 74 1HE LYS 74 4.198 -0.896 -18.838 937 1HZ LYS 74 2HZ LYS 74 2.527 -2.504 -19.720 938 2HZ LYS 74 1HZ LYS 74 2.985 -2.048 -21.291 939 3HZ LYS 74 3HZ LYS 74 4.114 -2.783 -20.260 940 H TYR 75 H TYR 75 -0.775 2.682 -21.627 941 HA TYR 75 HA TYR 75 -0.843 5.364 -22.548 942 1HB TYR 75 2HB TYR 75 -1.649 3.944 -24.152 943 2HB TYR 75 1HB TYR 75 -2.204 2.780 -22.959 944 HD1 TYR 75 HD1 TYR 75 -3.086 6.261 -24.125 945 HD2 TYR 75 HD2 TYR 75 -4.501 2.385 -22.851 946 HE1 TYR 75 HE1 TYR 75 -5.437 6.990 -24.512 947 HE2 TYR 75 HE2 TYR 75 -6.848 3.113 -23.241 948 HH TYR 75 HH TYR 75 -7.985 5.739 -23.267 949 H LEU 76 H LEU 76 -3.226 3.586 -20.552 950 HA LEU 76 HA LEU 76 -5.108 5.599 -20.068 951 1HB LEU 76 2HB LEU 76 -4.224 3.086 -18.960 952 2HB LEU 76 1HB LEU 76 -4.646 4.183 -17.651 953 HG LEU 76 HG LEU 76 -6.617 2.910 -18.369 954 1HD1 LEU 76 2HD1 LEU 76 -6.582 5.504 -17.800 955 2HD1 LEU 76 1HD1 LEU 76 -7.092 5.650 -19.481 956 3HD1 LEU 76 3HD1 LEU 76 -8.066 4.721 -18.343 957 1HD2 LEU 76 1HD2 LEU 76 -5.817 2.576 -20.723 958 2HD2 LEU 76 3HD2 LEU 76 -7.489 3.126 -20.629 959 3HD2 LEU 76 2HD2 LEU 76 -6.210 4.265 -21.052 960 H GLN 77 H GLN 77 -2.029 5.015 -18.342 961 HA GLN 77 HA GLN 77 -2.293 7.052 -16.369 962 1HB GLN 77 2HB GLN 77 -0.420 5.149 -17.249 963 2HB GLN 77 1HB GLN 77 0.416 6.698 -17.366 964 1HG GLN 77 2HG GLN 77 -1.179 6.028 -14.906 965 2HG GLN 77 1HG GLN 77 0.466 5.417 -15.089 966 1HE2 GLN 77 2HE2 GLN 77 -0.139 9.330 -14.200 967 2HE2 GLN 77 1HE2 GLN 77 -1.440 8.257 -14.397 968 H GLN 78 H GLN 78 -0.720 7.172 -19.593 969 HA GLN 78 HA GLN 78 0.088 9.886 -19.549 970 1HB GLN 78 2HB GLN 78 0.443 7.919 -21.240 971 2HB GLN 78 1HB GLN 78 -1.039 8.516 -21.989 972 1HG GLN 78 2HG GLN 78 -0.033 10.398 -22.788 973 2HG GLN 78 1HG GLN 78 0.958 10.598 -21.342 974 1HE2 GLN 78 2HE2 GLN 78 3.143 9.565 -24.243 975 2HE2 GLN 78 1HE2 GLN 78 2.040 10.836 -24.016 976 H LEU 79 H LEU 79 -3.075 8.453 -19.892 977 HA LEU 79 HA LEU 79 -4.374 10.831 -20.999 978 1HB LEU 79 2HB LEU 79 -4.950 8.261 -21.096 979 2HB LEU 79 1HB LEU 79 -5.736 8.577 -19.546 980 HG LEU 79 HG LEU 79 -6.919 10.523 -20.714 981 1HD1 LEU 79 1HD1 LEU 79 -5.182 10.137 -22.714 982 2HD1 LEU 79 3HD1 LEU 79 -6.461 9.062 -23.276 983 3HD1 LEU 79 2HD1 LEU 79 -6.801 10.772 -23.003 984 1HD2 LEU 79 2HD2 LEU 79 -7.677 7.974 -20.314 985 2HD2 LEU 79 1HD2 LEU 79 -8.709 9.142 -21.141 986 3HD2 LEU 79 3HD2 LEU 79 -7.739 8.003 -22.076 987 H GLN 80 H GLN 80 -4.128 9.254 -17.823 988 HA GLN 80 HA GLN 80 -5.859 11.075 -16.424 989 1HB GLN 80 2HB GLN 80 -4.161 8.776 -15.971 990 2HB GLN 80 1HB GLN 80 -3.962 9.947 -14.671 991 1HG GLN 80 2HG GLN 80 -6.024 9.517 -13.846 992 2HG GLN 80 1HG GLN 80 -6.759 9.628 -15.445 993 1HE2 GLN 80 2HE2 GLN 80 -5.807 6.057 -16.065 994 2HE2 GLN 80 1HE2 GLN 80 -5.412 7.539 -16.795 995 H LYS 81 H LYS 81 -2.275 10.831 -16.551 996 HA LYS 81 HA LYS 81 -1.735 13.171 -15.010 997 1HB LYS 81 2HB LYS 81 -0.091 11.421 -15.591 998 2HB LYS 81 1HB LYS 81 -0.205 11.872 -17.293 999 1HG LYS 81 2HG LYS 81 0.379 14.285 -16.299 1000 2HG LYS 81 1HG LYS 81 1.125 13.304 -15.036 1001 1HD LYS 81 2HD LYS 81 2.444 12.098 -16.712 1002 2HD LYS 81 1HD LYS 81 1.664 13.007 -18.007 1003 1HE LYS 81 2HE LYS 81 3.001 14.822 -17.677 1004 2HE LYS 81 1HE LYS 81 2.844 14.716 -15.912 1005 1HZ LYS 81 1HZ LYS 81 4.326 12.790 -15.948 1006 2HZ LYS 81 3HZ LYS 81 4.519 12.956 -17.624 1007 3HZ LYS 81 2HZ LYS 81 5.094 14.167 -16.580 1008 H ASP 82 H ASP 82 -2.218 12.737 -18.524 1009 HA ASP 82 HA ASP 82 -1.648 15.389 -19.360 1010 1HB ASP 82 2HB ASP 82 -2.093 13.408 -20.812 1011 2HB ASP 82 1HB ASP 82 -3.792 13.469 -20.341 1012 H LEU 83 H LEU 83 -4.624 13.939 -18.050 1013 HA LEU 83 HA LEU 83 -6.321 16.228 -18.279 1014 1HB LEU 83 2HB LEU 83 -6.992 13.870 -17.782 1015 2HB LEU 83 1HB LEU 83 -6.255 14.027 -16.187 1016 HG LEU 83 HG LEU 83 -8.180 16.155 -16.935 1017 1HD1 LEU 83 2HD1 LEU 83 -9.040 13.755 -17.677 1018 2HD1 LEU 83 1HD1 LEU 83 -9.336 13.574 -15.948 1019 3HD1 LEU 83 3HD1 LEU 83 -10.113 14.877 -16.846 1020 1HD2 LEU 83 1HD2 LEU 83 -7.359 14.576 -14.512 1021 2HD2 LEU 83 3HD2 LEU 83 -7.390 16.325 -14.742 1022 3HD2 LEU 83 2HD2 LEU 83 -8.897 15.439 -14.505 1023 H ASN 84 H ASN 84 -4.090 15.147 -15.715 1024 HA ASN 84 HA ASN 84 -4.712 17.249 -13.843 1025 1HB ASN 84 2HB ASN 84 -3.154 14.945 -14.008 1026 2HB ASN 84 1HB ASN 84 -1.969 16.235 -13.826 1027 1HD2 ASN 84 2HD2 ASN 84 -4.719 15.694 -10.804 1028 2HD2 ASN 84 1HD2 ASN 84 -5.139 15.251 -12.388 1029 H ASP 85 H ASP 85 -2.512 16.965 -16.590 1030 HA ASP 85 HA ASP 85 -0.968 19.347 -16.074 1031 1HB ASP 85 2HB ASP 85 -0.747 17.274 -17.745 1032 2HB ASP 85 1HB ASP 85 -1.583 18.372 -18.844 1033 H LYS 86 H LYS 86 -4.185 18.803 -17.238 1034 HA LYS 86 HA LYS 86 -4.440 21.425 -18.559 1035 1HB LYS 86 2HB LYS 86 -6.450 19.310 -17.691 1036 2HB LYS 86 1HB LYS 86 -6.816 20.687 -18.732 1037 1HG LYS 86 2HG LYS 86 -4.728 18.588 -19.375 1038 2HG LYS 86 1HG LYS 86 -6.376 18.566 -20.004 1039 1HD LYS 86 2HD LYS 86 -5.903 20.953 -20.844 1040 2HD LYS 86 1HD LYS 86 -4.203 20.598 -20.528 1041 1HE LYS 86 2HE LYS 86 -5.711 18.539 -22.069 1042 2HE LYS 86 1HE LYS 86 -5.344 20.058 -22.910 1043 1HZ LYS 86 2HZ LYS 86 -3.299 18.688 -21.279 1044 2HZ LYS 86 1HZ LYS 86 -3.554 18.242 -22.899 1045 3HZ LYS 86 3HZ LYS 86 -3.080 19.826 -22.522 1046 H THR 87 H THR 87 -4.934 19.923 -15.456 1047 HA THR 87 HA THR 87 -6.463 22.127 -14.281 1048 HB THR 87 HB THR 87 -5.102 19.585 -13.324 1049 HG1 THR 87 HG1 THR 87 -7.819 20.389 -13.372 1050 1HG2 THR 87 3HG2 THR 87 -5.805 21.890 -11.761 1051 2HG2 THR 87 2HG2 THR 87 -6.879 20.556 -11.343 1052 3HG2 THR 87 1HG2 THR 87 -5.132 20.353 -11.220 1053 H GLU 88 H GLU 88 -3.121 20.884 -14.242 1054 HA GLU 88 HA GLU 88 -2.033 22.801 -12.402 1055 1HB GLU 88 2HB GLU 88 -0.974 21.052 -14.627 1056 2HB GLU 88 1HB GLU 88 0.102 22.125 -13.732 1057 1HG GLU 88 2HG GLU 88 -1.746 20.270 -12.253 1058 2HG GLU 88 1HG GLU 88 -0.214 19.671 -12.888 1059 H GLU 89 H GLU 89 -2.620 22.788 -15.880 1060 HA GLU 89 HA GLU 89 -1.227 25.270 -16.461 1061 1HB GLU 89 2HB GLU 89 -2.989 23.294 -17.762 1062 2HB GLU 89 1HB GLU 89 -3.192 24.937 -18.371 1063 1HG GLU 89 2HG GLU 89 -0.474 24.780 -18.244 1064 2HG GLU 89 1HG GLU 89 -0.882 23.107 -18.622 1065 H ASN 90 H ASN 90 -4.664 24.403 -16.001 1066 HA ASN 90 HA ASN 90 -5.833 26.970 -16.177 1067 1HB ASN 90 2HB ASN 90 -6.428 24.304 -15.189 1068 2HB ASN 90 1HB ASN 90 -7.123 25.518 -14.118 1069 1HD2 ASN 90 2HD2 ASN 90 -9.149 24.717 -17.373 1070 2HD2 ASN 90 1HD2 ASN 90 -8.133 23.658 -16.524 1071 H ASN 91 H ASN 91 -3.928 25.466 -13.664 1072 HA ASN 91 HA ASN 91 -4.559 27.370 -11.552 1073 1HB ASN 91 2HB ASN 91 -2.897 24.996 -12.074 1074 2HB ASN 91 1HB ASN 91 -2.143 26.139 -10.967 1075 1HD2 ASN 91 2HD2 ASN 91 -5.481 24.085 -9.807 1076 2HD2 ASN 91 1HD2 ASN 91 -4.956 24.025 -11.420 1077 H ARG 92 H ARG 92 -2.018 26.996 -14.003 1078 HA ARG 92 HA ARG 92 -0.469 29.296 -13.029 1079 1HB ARG 92 2HB ARG 92 0.231 27.107 -14.305 1080 2HB ARG 92 1HB ARG 92 -0.249 28.016 -15.739 1081 1HG ARG 92 2HG ARG 92 1.438 29.587 -15.479 1082 2HG ARG 92 1HG ARG 92 1.542 29.341 -13.736 1083 1HD ARG 92 2HD ARG 92 2.955 27.522 -13.942 1084 2HD ARG 92 1HD ARG 92 2.260 27.029 -15.499 1085 HE ARG 92 HE ARG 92 3.458 28.958 -16.532 1086 1HH1 ARG 92 2HH1 ARG 92 4.428 30.875 -14.925 1087 2HH1 ARG 92 1HH1 ARG 92 5.939 30.335 -14.275 1088 1HH2 ARG 92 1HH2 ARG 92 5.365 26.995 -15.011 1089 2HH2 ARG 92 2HH2 ARG 92 6.470 28.138 -14.324 1090 H LEU 93 H LEU 93 -2.189 28.577 -16.089 1091 HA LEU 93 HA LEU 93 -2.144 31.093 -17.293 1092 1HB LEU 93 2HB LEU 93 -3.022 29.085 -18.342 1093 2HB LEU 93 1HB LEU 93 -4.313 28.974 -17.146 1094 HG LEU 93 HG LEU 93 -4.067 31.482 -18.768 1095 1HD1 LEU 93 3HD1 LEU 93 -4.113 29.077 -20.072 1096 2HD1 LEU 93 2HD1 LEU 93 -5.837 29.391 -19.874 1097 3HD1 LEU 93 1HD1 LEU 93 -4.817 30.562 -20.712 1098 1HD2 LEU 93 3HD2 LEU 93 -5.870 30.342 -16.881 1099 2HD2 LEU 93 2HD2 LEU 93 -6.029 31.878 -17.733 1100 3HD2 LEU 93 1HD2 LEU 93 -6.711 30.409 -18.431 1101 H LYS 94 H LYS 94 -4.092 29.991 -14.579 1102 HA LYS 94 HA LYS 94 -5.879 32.302 -14.566 1103 1HB LYS 94 2HB LYS 94 -6.478 30.063 -13.691 1104 2HB LYS 94 1HB LYS 94 -5.200 30.196 -12.482 1105 1HG LYS 94 2HG LYS 94 -6.369 32.377 -11.751 1106 2HG LYS 94 1HG LYS 94 -7.743 31.809 -12.701 1107 1HD LYS 94 2HD LYS 94 -7.737 29.691 -11.394 1108 2HD LYS 94 1HD LYS 94 -6.425 30.332 -10.404 1109 1HE LYS 94 2HE LYS 94 -7.804 31.999 -9.442 1110 2HE LYS 94 1HE LYS 94 -9.024 31.849 -10.724 1111 1HZ LYS 94 3HZ LYS 94 -8.291 29.705 -8.798 1112 2HZ LYS 94 2HZ LYS 94 -9.690 30.665 -8.700 1113 3HZ LYS 94 1HZ LYS 94 -9.477 29.599 -10.006 1114 H ALA 95 H ALA 95 -2.866 31.341 -12.963 1115 HA ALA 95 HA ALA 95 -2.857 33.745 -11.246 1116 1HB ALA 95 2HB ALA 95 -1.312 31.227 -11.617 1117 2HB ALA 95 1HB ALA 95 -0.427 32.595 -10.942 1118 3HB ALA 95 3HB ALA 95 -1.870 31.990 -10.128 1119 H LEU 96 H LEU 96 -1.751 32.841 -14.396 1120 HA LEU 96 HA LEU 96 0.440 34.795 -14.506 1121 1HB LEU 96 2HB LEU 96 -0.379 32.483 -15.868 1122 2HB LEU 96 1HB LEU 96 -0.589 33.785 -17.040 1123 HG LEU 96 HG LEU 96 1.759 34.555 -16.423 1124 1HD1 LEU 96 2HD1 LEU 96 1.505 32.057 -14.803 1125 2HD1 LEU 96 1HD1 LEU 96 3.063 32.389 -15.560 1126 3HD1 LEU 96 3HD1 LEU 96 2.365 33.551 -14.433 1127 1HD2 LEU 96 3HD2 LEU 96 0.900 32.813 -18.319 1128 2HD2 LEU 96 2HD2 LEU 96 2.583 33.315 -18.164 1129 3HD2 LEU 96 1HD2 LEU 96 2.050 31.788 -17.461 1130 H LEU 97 H LEU 97 -2.984 34.680 -15.216 1131 HA LEU 97 HA LEU 97 -2.893 37.170 -16.817 1132 1HB LEU 97 2HB LEU 97 -5.028 35.208 -15.945 1133 2HB LEU 97 1HB LEU 97 -5.413 36.684 -16.832 1134 HG LEU 97 HG LEU 97 -3.526 34.502 -17.770 1135 1HD1 LEU 97 3HD1 LEU 97 -6.385 34.835 -17.954 1136 2HD1 LEU 97 2HD1 LEU 97 -5.671 34.943 -19.563 1137 3HD1 LEU 97 1HD1 LEU 97 -5.386 33.516 -18.566 1138 1HD2 LEU 97 3HD2 LEU 97 -4.003 37.282 -18.603 1139 2HD2 LEU 97 2HD2 LEU 97 -2.661 36.207 -18.997 1140 3HD2 LEU 97 1HD2 LEU 97 -4.162 36.119 -19.919 1141 H LEU 98 H LEU 98 -4.085 36.019 -13.665 1142 HA LEU 98 HA LEU 98 -5.264 38.550 -12.882 1143 1HB LEU 98 2HB LEU 98 -4.239 36.199 -11.257 1144 2HB LEU 98 1HB LEU 98 -5.368 37.429 -10.690 1145 HG LEU 98 HG LEU 98 -5.887 35.657 -13.086 1146 1HD1 LEU 98 1HD1 LEU 98 -5.703 34.463 -10.822 1147 2HD1 LEU 98 3HD1 LEU 98 -7.126 35.387 -10.340 1148 3HD1 LEU 98 2HD1 LEU 98 -7.224 34.258 -11.690 1149 1HD2 LEU 98 1HD2 LEU 98 -7.097 38.031 -12.119 1150 2HD2 LEU 98 3HD2 LEU 98 -7.693 36.970 -13.395 1151 3HD2 LEU 98 2HD2 LEU 98 -8.201 36.714 -11.726 1152 H GLU 99 H GLU 99 -2.050 37.256 -12.891 1153 HA GLU 99 HA GLU 99 -0.923 38.933 -10.813 1154 1HB GLU 99 2HB GLU 99 0.061 36.814 -11.595 1155 2HB GLU 99 1HB GLU 99 0.300 37.509 -13.198 1156 1HG GLU 99 2HG GLU 99 2.405 37.795 -12.196 1157 2HG GLU 99 1HG GLU 99 1.634 39.360 -11.935 1158 H ARG 100 HN ARG 100 -1.299 39.251 -14.326 1159 HA ARG 100 HA ARG 100 -0.469 42.120 -14.069 1160 1HB ARG 100 2HB ARG 100 1.233 40.400 -15.034 1161 2HB ARG 100 1HB ARG 100 0.184 40.389 -16.453 1162 1HG ARG 100 2HG ARG 100 0.851 43.079 -15.429 1163 2HG ARG 100 1HG ARG 100 2.219 42.172 -16.075 1164 1HD ARG 100 2HD ARG 100 0.959 41.768 -18.175 1165 2HD ARG 100 1HD ARG 100 -0.394 42.718 -17.531 1166 HE ARG 100 HE ARG 100 2.230 44.060 -17.476 1167 1HH1 ARG 100 1HH1 ARG 100 0.508 46.108 -17.443 1168 2HH1 ARG 100 2HH1 ARG 100 0.006 46.435 -19.068 1169 1HH2 ARG 100 1HH2 ARG 100 1.030 43.353 -20.286 1170 2HH2 ARG 100 2HH2 ARG 100 0.302 44.875 -20.678 No H/Q in entry = 1170 Start of MODEL 7 1 1H MET 30 3H MET 30 -2.440 -1.260 -35.543 2 2H MET 30 2H MET 30 -1.467 0.129 -35.455 3 3H MET 30 1H MET 30 -1.801 -0.583 -36.961 4 HA MET 30 HA MET 30 0.419 -1.203 -36.364 5 1HB MET 30 2HB MET 30 0.039 -0.620 -33.976 6 2HB MET 30 1HB MET 30 -0.914 -2.093 -33.784 7 1HG MET 30 2HG MET 30 0.968 -3.491 -34.133 8 2HG MET 30 1HG MET 30 1.923 -2.172 -34.813 9 1HE MET 30 3HE MET 30 0.580 -4.087 -32.215 10 2HE MET 30 2HE MET 30 2.199 -4.244 -31.539 11 3HE MET 30 1HE MET 30 0.954 -3.387 -30.634 12 H SER 31 H SER 31 1.217 -3.543 -36.281 13 HA SER 31 HA SER 31 -0.970 -5.487 -36.931 14 1HB SER 31 2HB SER 31 1.062 -4.315 -38.618 15 2HB SER 31 1HB SER 31 1.307 -6.055 -38.517 16 HG SER 31 HG SER 31 -0.494 -4.743 -39.928 17 H VAL 32 H VAL 32 -0.309 -7.746 -36.610 18 HA VAL 32 HA VAL 32 2.230 -8.189 -35.126 19 HB VAL 32 HB VAL 32 -0.550 -8.830 -34.086 20 1HG1 VAL 32 1HG1 VAL 32 2.205 -9.249 -32.883 21 2HG1 VAL 32 3HG1 VAL 32 0.682 -9.506 -32.032 22 3HG1 VAL 32 2HG1 VAL 32 1.099 -10.515 -33.417 23 1HG2 VAL 32 2HG2 VAL 32 1.513 -6.741 -33.338 24 2HG2 VAL 32 1HG2 VAL 32 -0.156 -6.476 -33.843 25 3HG2 VAL 32 3HG2 VAL 32 0.186 -7.196 -32.270 26 H ALA 33 H ALA 33 3.043 -9.749 -36.520 27 HA ALA 33 HA ALA 33 1.225 -11.920 -37.462 28 1HB ALA 33 2HB ALA 33 3.910 -10.803 -38.271 29 2HB ALA 33 1HB ALA 33 3.355 -12.358 -38.887 30 3HB ALA 33 3HB ALA 33 2.430 -10.896 -39.224 31 H CYS 34 H CYS 34 2.070 -14.168 -37.335 32 HA CYS 34 HA CYS 34 2.987 -14.896 -34.727 33 1HB CYS 34 2HB CYS 34 3.071 -16.425 -37.347 34 2HB CYS 34 1HB CYS 34 3.102 -17.137 -35.735 35 H LEU 35 H LEU 35 5.031 -16.498 -34.660 36 HA LEU 35 HA LEU 35 7.375 -14.877 -35.123 37 1HB LEU 35 2HB LEU 35 6.615 -17.478 -33.966 38 2HB LEU 35 1HB LEU 35 8.253 -17.429 -34.616 39 HG LEU 35 HG LEU 35 7.462 -15.068 -33.016 40 1HD1 LEU 35 1HD1 LEU 35 6.716 -17.523 -31.990 41 2HD1 LEU 35 3HD1 LEU 35 8.325 -17.293 -31.307 42 3HD1 LEU 35 2HD1 LEU 35 7.070 -16.087 -31.030 43 1HD2 LEU 35 2HD2 LEU 35 9.737 -15.411 -33.924 44 2HD2 LEU 35 1HD2 LEU 35 9.759 -15.381 -32.161 45 3HD2 LEU 35 3HD2 LEU 35 9.870 -16.918 -33.019 46 H SER 36 H SER 36 6.000 -17.725 -36.712 47 HA SER 36 HA SER 36 8.129 -18.119 -38.613 48 1HB SER 36 2HB SER 36 5.843 -19.418 -37.806 49 2HB SER 36 1HB SER 36 5.369 -18.829 -39.397 50 HG SER 36 HG SER 36 7.019 -19.947 -40.304 51 H CYS 37 H CYS 37 5.168 -16.178 -38.607 52 HA CYS 37 HA CYS 37 5.423 -15.348 -41.393 53 1HB CYS 37 2HB CYS 37 3.834 -14.230 -39.057 54 2HB CYS 37 1HB CYS 37 3.534 -13.891 -40.761 55 H ARG 38 H ARG 38 6.811 -14.367 -38.381 56 HA ARG 38 HA ARG 38 7.342 -11.594 -39.134 57 1HB ARG 38 2HB ARG 38 7.371 -13.240 -36.840 58 2HB ARG 38 1HB ARG 38 9.034 -12.693 -37.058 59 1HG ARG 38 2HG ARG 38 7.699 -11.119 -35.669 60 2HG ARG 38 1HG ARG 38 8.293 -10.367 -37.147 61 1HD ARG 38 2HD ARG 38 5.791 -11.530 -37.811 62 2HD ARG 38 1HD ARG 38 5.560 -10.661 -36.279 63 HE ARG 38 HE ARG 38 6.821 -9.398 -38.686 64 1HH1 ARG 38 1HH2 ARG 38 6.008 -8.876 -35.483 65 2HH1 ARG 38 2HH2 ARG 38 5.122 -7.414 -35.757 66 1HH2 ARG 38 2HH1 ARG 38 5.192 -7.705 -39.211 67 2HH2 ARG 38 1HH1 ARG 38 4.659 -6.751 -37.868 68 H LYS 39 H LYS 39 9.249 -14.616 -38.956 69 HA LYS 39 HA LYS 39 11.714 -13.387 -39.862 70 1HB LYS 39 2HB LYS 39 12.435 -15.735 -40.058 71 2HB LYS 39 1HB LYS 39 11.536 -15.501 -38.561 72 1HG LYS 39 2HG LYS 39 10.313 -17.283 -39.252 73 2HG LYS 39 1HG LYS 39 9.531 -16.123 -40.325 74 1HD LYS 39 2HD LYS 39 10.249 -17.991 -41.675 75 2HD LYS 39 1HD LYS 39 11.308 -16.628 -42.040 76 1HE LYS 39 2HE LYS 39 12.803 -17.646 -40.115 77 2HE LYS 39 1HE LYS 39 11.920 -19.136 -40.502 78 1HZ LYS 39 3HZ LYS 39 13.142 -17.402 -42.575 79 2HZ LYS 39 2HZ LYS 39 13.966 -18.714 -41.879 80 3HZ LYS 39 1HZ LYS 39 12.538 -18.976 -42.762 81 H ARG 40 H ARG 40 8.875 -14.678 -41.437 82 HA ARG 40 HA ARG 40 10.185 -14.675 -44.107 83 1HB ARG 40 2HB ARG 40 7.426 -15.415 -43.079 84 2HB ARG 40 1HB ARG 40 7.935 -15.592 -44.760 85 1HG ARG 40 2HG ARG 40 9.987 -16.823 -43.444 86 2HG ARG 40 1HG ARG 40 8.621 -17.221 -42.403 87 1HD ARG 40 2HD ARG 40 7.371 -18.004 -44.450 88 2HD ARG 40 1HD ARG 40 8.866 -17.777 -45.379 89 HE ARG 40 HE ARG 40 9.167 -19.368 -42.924 90 1HH1 ARG 40 2HH1 ARG 40 11.062 -19.683 -45.148 91 2HH1 ARG 40 1HH1 ARG 40 10.517 -21.128 -45.931 92 1HH2 ARG 40 1HH2 ARG 40 7.389 -21.073 -44.436 93 2HH2 ARG 40 2HH2 ARG 40 8.437 -21.915 -45.528 94 H HIS 41 H HIS 41 8.461 -12.564 -42.056 95 HA HIS 41 HA HIS 41 7.477 -10.460 -42.400 96 1HB HIS 41 2HB HIS 41 9.566 -10.907 -44.436 97 2HB HIS 41 1HB HIS 41 8.399 -9.656 -44.859 98 HD1 HIS 41 HD1 HIS 41 9.699 -10.501 -41.389 99 HD2 HIS 41 HD2 HIS 41 9.794 -7.358 -44.125 100 HE1 HIS 41 HE1 HIS 41 10.797 -8.552 -40.203 101 H ILE 42 H ILE 42 5.707 -12.459 -42.924 102 HA ILE 42 HA ILE 42 4.527 -11.913 -45.611 103 HB ILE 42 HB ILE 42 3.900 -14.007 -43.504 104 1HG1 ILE 42 2HG1 ILE 42 6.201 -14.221 -44.365 105 2HG1 ILE 42 1HG1 ILE 42 5.187 -15.530 -44.973 106 1HG2 ILE 42 1HG2 ILE 42 2.946 -13.468 -46.303 107 2HG2 ILE 42 3HG2 ILE 42 3.002 -15.125 -45.703 108 3HG2 ILE 42 2HG2 ILE 42 2.011 -13.922 -44.878 109 1HD1 ILE 42 3HD1 ILE 42 4.772 -14.010 -47.017 110 2HD1 ILE 42 2HD1 ILE 42 6.152 -13.076 -46.440 111 3HD1 ILE 42 1HD1 ILE 42 6.358 -14.771 -46.885 112 H LYS 43 H LYS 43 2.120 -11.645 -45.645 113 HA LYS 43 HA LYS 43 1.259 -9.721 -43.599 114 1HB LYS 43 2HB LYS 43 0.477 -10.659 -46.298 115 2HB LYS 43 1HB LYS 43 -0.858 -10.117 -45.282 116 1HG LYS 43 2HG LYS 43 -0.244 -8.082 -46.171 117 2HG LYS 43 1HG LYS 43 0.843 -8.112 -44.782 118 1HD LYS 43 2HD LYS 43 2.608 -8.022 -46.172 119 2HD LYS 43 1HD LYS 43 2.109 -9.555 -46.889 120 1HE LYS 43 2HE LYS 43 0.665 -8.390 -48.486 121 2HE LYS 43 1HE LYS 43 1.044 -6.832 -47.724 122 1HZ LYS 43 1HZ LYS 43 3.386 -7.211 -48.185 123 2HZ LYS 43 3HZ LYS 43 3.028 -8.695 -48.923 124 3HZ LYS 43 2HZ LYS 43 2.490 -7.246 -49.629 125 H CYS 44 H CYS 44 1.244 -11.388 -41.810 126 HA CYS 44 HA CYS 44 -0.320 -13.711 -41.712 127 1HB CYS 44 2HB CYS 44 1.233 -12.961 -39.970 128 2HB CYS 44 1HB CYS 44 0.192 -11.585 -39.608 129 HA PRO 45 HA PRO 45 -4.468 -12.131 -42.242 130 1HB PRO 45 2HB PRO 45 -5.590 -14.296 -40.717 131 2HB PRO 45 1HB PRO 45 -5.544 -14.113 -42.473 132 1HG PRO 45 2HG PRO 45 -4.044 -15.947 -40.864 133 2HG PRO 45 1HG PRO 45 -3.979 -15.740 -42.616 134 1HD PRO 45 2HD PRO 45 -1.994 -14.974 -40.658 135 2HD PRO 45 1HD PRO 45 -1.915 -14.796 -42.428 136 H GLY 46 H GLY 46 -3.993 -13.691 -39.043 137 1HA GLY 46 2HA GLY 46 -3.816 -12.052 -37.095 138 2HA GLY 46 1HA GLY 46 -5.225 -11.262 -37.804 139 H GLY 47 H GLY 47 -4.115 -14.245 -36.260 140 1HA GLY 47 2HA GLY 47 -6.676 -14.564 -34.922 141 2HA GLY 47 1HA GLY 47 -6.426 -15.775 -36.181 142 H ASN 48 H ASN 48 -6.632 -16.696 -33.619 143 HA ASN 48 HA ASN 48 -3.827 -17.557 -33.042 144 1HB ASN 48 2HB ASN 48 -5.724 -16.022 -31.400 145 2HB ASN 48 1HB ASN 48 -5.021 -17.409 -30.566 146 1HD2 ASN 48 2HD2 ASN 48 -1.608 -16.108 -31.228 147 2HD2 ASN 48 1HD2 ASN 48 -2.455 -17.545 -31.560 148 HA PRO 49 HA PRO 49 -2.951 -19.207 -33.694 149 1HB PRO 49 2HB PRO 49 -3.586 -21.147 -35.713 150 2HB PRO 49 1HB PRO 49 -2.451 -21.315 -34.376 151 1HG PRO 49 2HG PRO 49 -4.950 -22.637 -34.688 152 2HG PRO 49 1HG PRO 49 -3.870 -22.702 -33.294 153 1HD PRO 49 2HD PRO 49 -6.432 -21.331 -33.542 154 2HD PRO 49 1HD PRO 49 -5.430 -21.556 -32.088 155 H CYS 50 H CYS 50 -2.412 -18.733 -36.133 156 HA CYS 50 HA CYS 50 -4.532 -16.969 -37.201 157 1HB CYS 50 2HB CYS 50 -2.682 -16.155 -38.610 158 2HB CYS 50 1HB CYS 50 -2.169 -16.236 -36.927 159 H GLN 51 H GLN 51 -3.179 -17.480 -39.971 160 HA GLN 51 HA GLN 51 -4.527 -20.090 -40.559 161 1HB GLN 51 2HB GLN 51 -5.994 -18.154 -41.046 162 2HB GLN 51 1HB GLN 51 -4.744 -17.480 -42.091 163 1HG GLN 51 2HG GLN 51 -6.111 -18.601 -43.625 164 2HG GLN 51 1HG GLN 51 -4.861 -19.801 -43.295 165 1HE2 GLN 51 2HE2 GLN 51 -7.052 -21.983 -41.507 166 2HE2 GLN 51 1HE2 GLN 51 -5.425 -21.572 -41.763 167 H LYS 52 H LYS 52 -2.264 -17.586 -41.712 168 HA LYS 52 HA LYS 52 -1.228 -18.951 -43.971 169 1HB LYS 52 2HB LYS 52 -0.429 -16.788 -42.113 170 2HB LYS 52 1HB LYS 52 0.890 -17.520 -43.030 171 1HG LYS 52 2HG LYS 52 -1.670 -16.619 -44.359 172 2HG LYS 52 1HG LYS 52 -0.302 -15.529 -44.131 173 1HD LYS 52 2HD LYS 52 1.049 -17.552 -45.202 174 2HD LYS 52 1HD LYS 52 -0.531 -17.942 -45.886 175 1HE LYS 52 2HE LYS 52 -0.470 -15.278 -46.397 176 2HE LYS 52 1HE LYS 52 1.264 -15.648 -46.480 177 1HZ LYS 52 3HZ LYS 52 -0.876 -17.180 -47.862 178 2HZ LYS 52 2HZ LYS 52 0.149 -16.051 -48.611 179 3HZ LYS 52 1HZ LYS 52 0.790 -17.482 -47.959 180 H CYS 53 H CYS 53 -0.553 -19.412 -40.554 181 HA CYS 53 HA CYS 53 1.728 -21.222 -41.158 182 1HB CYS 53 2HB CYS 53 0.487 -19.870 -38.810 183 2HB CYS 53 1HB CYS 53 1.561 -21.232 -38.534 184 H VAL 54 H VAL 54 -1.525 -21.223 -39.726 185 HA VAL 54 HA VAL 54 -1.556 -23.965 -38.919 186 HB VAL 54 HB VAL 54 -3.951 -22.399 -39.925 187 1HG1 VAL 54 2HG1 VAL 54 -3.672 -24.900 -38.753 188 2HG1 VAL 54 1HG1 VAL 54 -4.122 -23.864 -37.395 189 3HG1 VAL 54 3HG1 VAL 54 -5.161 -23.955 -38.819 190 1HG2 VAL 54 1HG2 VAL 54 -2.386 -22.029 -37.362 191 2HG2 VAL 54 3HG2 VAL 54 -2.898 -20.791 -38.509 192 3HG2 VAL 54 2HG2 VAL 54 -4.088 -21.592 -37.489 193 H THR 55 H THR 55 -2.117 -22.303 -41.932 194 HA THR 55 HA THR 55 -3.208 -24.576 -43.369 195 HB THR 55 HB THR 55 -3.594 -22.149 -43.845 196 HG1 THR 55 HG1 THR 55 -2.310 -23.465 -45.994 197 1HG2 THR 55 1HG2 THR 55 -1.135 -21.603 -43.392 198 2HG2 THR 55 3HG2 THR 55 -0.830 -22.138 -45.043 199 3HG2 THR 55 2HG2 THR 55 -1.899 -20.766 -44.742 200 H SER 56 H SER 56 -0.002 -23.079 -43.012 201 HA SER 56 HA SER 56 1.223 -24.921 -44.953 202 1HB SER 56 2HB SER 56 2.003 -22.601 -43.239 203 2HB SER 56 1HB SER 56 3.287 -23.698 -43.739 204 HG SER 56 HG SER 56 1.667 -22.001 -45.248 205 H ASN 57 H ASN 57 2.520 -24.214 -41.744 206 HA ASN 57 HA ASN 57 1.899 -26.551 -40.368 207 1HB ASN 57 2HB ASN 57 4.206 -27.745 -40.838 208 2HB ASN 57 1HB ASN 57 2.849 -27.986 -41.926 209 1HD2 ASN 57 2HD2 ASN 57 5.613 -25.274 -43.317 210 2HD2 ASN 57 1HD2 ASN 57 5.065 -25.141 -41.720 211 H ALA 58 H ALA 58 2.505 -23.864 -39.825 212 HA ALA 58 HA ALA 58 4.988 -24.117 -38.151 213 1HB ALA 58 3HB ALA 58 3.863 -22.012 -39.926 214 2HB ALA 58 2HB ALA 58 4.643 -21.450 -38.449 215 3HB ALA 58 1HB ALA 58 5.546 -22.428 -39.606 216 H ILE 59 H ILE 59 4.904 -22.896 -36.096 217 HA ILE 59 HA ILE 59 2.321 -23.167 -34.758 218 HB ILE 59 HB ILE 59 4.966 -22.027 -33.801 219 1HG1 ILE 59 2HG1 ILE 59 3.920 -24.877 -33.685 220 2HG1 ILE 59 1HG1 ILE 59 5.223 -24.313 -34.736 221 1HG2 ILE 59 2HG2 ILE 59 2.536 -21.965 -32.558 222 2HG2 ILE 59 1HG2 ILE 59 3.168 -23.508 -31.982 223 3HG2 ILE 59 3HG2 ILE 59 4.077 -22.022 -31.704 224 1HD1 ILE 59 2HD1 ILE 59 5.372 -23.877 -31.761 225 2HD1 ILE 59 1HD1 ILE 59 5.854 -25.420 -32.462 226 3HD1 ILE 59 3HD1 ILE 59 6.685 -23.939 -32.937 227 H CYS 60 H CYS 60 1.033 -21.469 -34.097 228 HA CYS 60 HA CYS 60 1.732 -18.763 -35.161 229 1HB CYS 60 2HB CYS 60 -1.018 -19.753 -34.387 230 2HB CYS 60 1HB CYS 60 -0.596 -18.472 -35.512 231 H GLU 61 H GLU 61 2.217 -17.264 -33.598 232 HA GLU 61 HA GLU 61 0.688 -17.200 -31.076 233 1HB GLU 61 2HB GLU 61 3.311 -18.440 -31.387 234 2HB GLU 61 1HB GLU 61 3.337 -17.151 -30.184 235 1HG GLU 61 2HG GLU 61 1.097 -19.152 -30.155 236 2HG GLU 61 1HG GLU 61 2.658 -19.584 -29.456 237 H TYR 62 H TYR 62 1.216 -15.234 -29.819 238 HA TYR 62 HA TYR 62 2.685 -13.153 -31.401 239 1HB TYR 62 2HB TYR 62 0.035 -12.888 -29.935 240 2HB TYR 62 1HB TYR 62 0.842 -11.612 -30.847 241 HD1 TYR 62 HD1 TYR 62 1.843 -13.064 -33.221 242 HD2 TYR 62 HD2 TYR 62 -1.937 -13.380 -31.154 243 HE1 TYR 62 HE1 TYR 62 0.763 -13.869 -35.317 244 HE2 TYR 62 HE2 TYR 62 -3.016 -14.182 -33.254 245 HH TYR 62 HH TYR 62 -1.476 -13.982 -36.311 246 H LEU 63 H LEU 63 1.896 -11.162 -29.312 247 HA LEU 63 HA LEU 63 3.469 -12.200 -26.982 248 1HB LEU 63 2HB LEU 63 4.671 -10.047 -26.992 249 2HB LEU 63 1HB LEU 63 4.852 -10.855 -28.548 250 HG LEU 63 HG LEU 63 2.527 -9.381 -28.875 251 1HD1 LEU 63 3HD1 LEU 63 3.708 -8.302 -26.625 252 2HD1 LEU 63 2HD1 LEU 63 4.338 -7.279 -27.915 253 3HD1 LEU 63 1HD1 LEU 63 2.597 -7.448 -27.694 254 1HD2 LEU 63 2HD2 LEU 63 5.046 -9.631 -30.045 255 2HD2 LEU 63 1HD2 LEU 63 3.705 -8.676 -30.673 256 3HD2 LEU 63 3HD2 LEU 63 4.930 -7.916 -29.659 257 H GLU 64 H GLU 64 2.261 -11.959 -25.150 258 HA GLU 64 HA GLU 64 0.445 -9.584 -24.938 259 1HB GLU 64 2HB GLU 64 -0.787 -11.645 -25.562 260 2HB GLU 64 1HB GLU 64 -0.120 -12.462 -24.149 261 1HG GLU 64 2HG GLU 64 -1.142 -10.523 -22.782 262 2HG GLU 64 1HG GLU 64 -2.078 -10.168 -24.235 263 HA PRO 65 HA PRO 65 3.381 -10.149 -21.291 264 1HB PRO 65 2HB PRO 65 3.662 -7.286 -21.296 265 2HB PRO 65 1HB PRO 65 4.889 -8.501 -21.669 266 1HG PRO 65 2HG PRO 65 3.581 -6.716 -23.488 267 2HG PRO 65 1HG PRO 65 4.788 -7.951 -23.858 268 1HD PRO 65 2HD PRO 65 1.956 -8.005 -24.474 269 2HD PRO 65 1HD PRO 65 3.187 -9.236 -24.854 270 H SER 66 H SER 66 3.163 -8.694 -19.160 271 HA SER 66 HA SER 66 0.261 -8.518 -18.582 272 1HB SER 66 2HB SER 66 0.977 -8.675 -16.309 273 2HB SER 66 1HB SER 66 2.060 -9.734 -17.207 274 HG SER 66 HG SER 66 3.570 -8.542 -16.362 275 H LYS 67 H LYS 67 1.227 -6.433 -20.278 276 HA LYS 67 HA LYS 67 1.129 -4.078 -18.418 277 1HB LYS 67 2HB LYS 67 2.477 -4.366 -21.125 278 2HB LYS 67 1HB LYS 67 2.537 -2.941 -20.088 279 1HG LYS 67 2HG LYS 67 3.473 -4.561 -18.285 280 2HG LYS 67 1HG LYS 67 3.792 -5.644 -19.641 281 1HD LYS 67 2HD LYS 67 5.633 -4.470 -20.177 282 2HD LYS 67 1HD LYS 67 4.671 -3.002 -20.341 283 1HE LYS 67 2HE LYS 67 4.906 -2.501 -17.977 284 2HE LYS 67 1HE LYS 67 5.695 -4.064 -17.685 285 1HZ LYS 67 1HZ LYS 67 6.727 -2.153 -19.693 286 2HZ LYS 67 3HZ LYS 67 7.206 -2.067 -18.068 287 3HZ LYS 67 2HZ LYS 67 7.530 -3.467 -18.975 288 H LYS 68 H LYS 68 -1.055 -5.630 -19.866 289 HA LYS 68 HA LYS 68 -2.058 -3.487 -21.698 290 1HB LYS 68 2HB LYS 68 -2.855 -6.389 -21.294 291 2HB LYS 68 1HB LYS 68 -3.526 -5.313 -22.520 292 1HG LYS 68 2HG LYS 68 -0.668 -5.192 -22.681 293 2HG LYS 68 1HG LYS 68 -1.156 -6.887 -22.684 294 1HD LYS 68 2HD LYS 68 -2.179 -6.722 -24.713 295 2HD LYS 68 1HD LYS 68 -2.817 -5.115 -24.367 296 1HE LYS 68 2HE LYS 68 0.140 -5.315 -24.698 297 2HE LYS 68 1HE LYS 68 -0.847 -5.493 -26.164 298 1HZ LYS 68 3HZ LYS 68 -2.089 -3.494 -25.455 299 2HZ LYS 68 2HZ LYS 68 -0.982 -3.281 -24.183 300 3HZ LYS 68 1HZ LYS 68 -0.460 -3.169 -25.796 301 H ILE 69 H ILE 69 -3.342 -2.058 -20.541 302 HA ILE 69 HA ILE 69 -4.604 -2.554 -18.059 303 HB ILE 69 HB ILE 69 -4.174 -0.365 -19.299 304 1HG1 ILE 69 2HG1 ILE 69 -6.126 0.753 -18.308 305 2HG1 ILE 69 1HG1 ILE 69 -6.958 -0.797 -18.180 306 1HG2 ILE 69 2HG2 ILE 69 -5.214 -1.008 -21.436 307 2HG2 ILE 69 1HG2 ILE 69 -6.784 -1.106 -20.644 308 3HG2 ILE 69 3HG2 ILE 69 -5.957 0.447 -20.781 309 1HD1 ILE 69 1HD1 ILE 69 -4.259 -0.344 -16.904 310 2HD1 ILE 69 3HD1 ILE 69 -5.758 0.064 -16.067 311 3HD1 ILE 69 2HD1 ILE 69 -5.441 -1.604 -16.547 312 H VAL 70 H VAL 70 -7.023 -2.672 -17.713 313 HA VAL 70 HA VAL 70 -8.822 -3.612 -19.737 314 HB VAL 70 HB VAL 70 -7.317 -5.534 -19.782 315 1HG1 VAL 70 1HG1 VAL 70 -7.012 -4.935 -17.052 316 2HG1 VAL 70 3HG1 VAL 70 -7.774 -6.525 -17.099 317 3HG1 VAL 70 2HG1 VAL 70 -6.247 -6.253 -17.940 318 1HG2 VAL 70 3HG2 VAL 70 -9.925 -6.009 -18.319 319 2HG2 VAL 70 2HG2 VAL 70 -9.627 -6.132 -20.052 320 3HG2 VAL 70 1HG2 VAL 70 -8.927 -7.319 -18.950 321 H VAL 71 H VAL 71 -10.497 -2.530 -18.720 322 HA VAL 71 HA VAL 71 -11.451 -3.605 -16.145 323 HB VAL 71 HB VAL 71 -10.570 -0.733 -16.580 324 1HG1 VAL 71 3HG1 VAL 71 -12.563 -1.895 -14.772 325 2HG1 VAL 71 2HG1 VAL 71 -11.290 -1.024 -13.916 326 3HG1 VAL 71 1HG1 VAL 71 -12.244 -0.202 -15.150 327 1HG2 VAL 71 3HG2 VAL 71 -9.629 -3.021 -14.848 328 2HG2 VAL 71 2HG2 VAL 71 -8.687 -2.031 -15.963 329 3HG2 VAL 71 1HG2 VAL 71 -9.254 -1.346 -14.440 330 H SER 72 H SER 72 -12.273 -0.411 -17.413 331 HA SER 72 HA SER 72 -14.752 -1.476 -18.671 332 1HB SER 72 2HB SER 72 -15.009 -1.010 -16.169 333 2HB SER 72 1HB SER 72 -14.747 0.689 -16.554 334 HG SER 72 HG SER 72 -16.968 -0.817 -16.831 335 H THR 73 H THR 73 -15.024 -0.377 -20.588 336 HA THR 73 HA THR 73 -13.385 1.863 -21.343 337 HB THR 73 HB THR 73 -14.420 0.182 -22.864 338 HG1 THR 73 HG1 THR 73 -14.234 1.693 -24.283 339 1HG2 THR 73 2HG2 THR 73 -16.616 0.158 -21.580 340 2HG2 THR 73 1HG2 THR 73 -17.005 1.680 -22.383 341 3HG2 THR 73 3HG2 THR 73 -16.772 0.215 -23.336 342 H LYS 74 H LYS 74 -16.656 1.606 -19.991 343 HA LYS 74 HA LYS 74 -17.583 4.248 -20.401 344 1HB LYS 74 2HB LYS 74 -18.459 1.994 -19.156 345 2HB LYS 74 1HB LYS 74 -18.044 2.981 -17.754 346 1HG LYS 74 2HG LYS 74 -19.559 4.339 -19.921 347 2HG LYS 74 1HG LYS 74 -20.443 3.139 -18.977 348 1HD LYS 74 2HD LYS 74 -19.782 4.279 -16.895 349 2HD LYS 74 1HD LYS 74 -18.885 5.475 -17.830 350 1HE LYS 74 2HE LYS 74 -21.344 5.578 -19.051 351 2HE LYS 74 1HE LYS 74 -21.791 5.273 -17.360 352 1HZ LYS 74 2HZ LYS 74 -19.776 7.292 -18.180 353 2HZ LYS 74 1HZ LYS 74 -21.411 7.669 -17.918 354 3HZ LYS 74 3HZ LYS 74 -20.463 7.083 -16.640 355 H TYR 75 H TYR 75 -15.549 2.912 -17.800 356 HA TYR 75 HA TYR 75 -15.200 5.341 -16.321 357 1HB TYR 75 2HB TYR 75 -14.466 3.556 -15.086 358 2HB TYR 75 1HB TYR 75 -14.115 2.604 -16.522 359 HD1 TYR 75 HD2 TYR 75 -12.779 5.685 -14.791 360 HD2 TYR 75 HD1 TYR 75 -11.889 2.004 -16.866 361 HE1 TYR 75 HE2 TYR 75 -10.343 6.084 -14.456 362 HE2 TYR 75 HE1 TYR 75 -9.456 2.401 -16.528 363 HH TYR 75 HH TYR 75 -7.936 3.644 -15.332 364 H LEU 76 H LEU 76 -13.131 3.761 -18.779 365 HA LEU 76 HA LEU 76 -11.102 5.689 -19.028 366 1HB LEU 76 2HB LEU 76 -12.233 3.452 -20.471 367 2HB LEU 76 1HB LEU 76 -11.764 4.714 -21.605 368 HG LEU 76 HG LEU 76 -9.887 3.191 -21.194 369 1HD1 LEU 76 1HD1 LEU 76 -9.745 5.859 -21.298 370 2HD1 LEU 76 3HD1 LEU 76 -9.103 5.637 -19.671 371 3HD1 LEU 76 2HD1 LEU 76 -8.308 4.868 -21.044 372 1HD2 LEU 76 3HD2 LEU 76 -10.761 2.700 -18.802 373 2HD2 LEU 76 2HD2 LEU 76 -9.014 2.771 -19.039 374 3HD2 LEU 76 1HD2 LEU 76 -9.865 4.145 -18.333 375 H GLN 77 H GLN 77 -14.317 5.592 -20.563 376 HA GLN 77 HA GLN 77 -14.024 7.869 -22.260 377 1HB GLN 77 2HB GLN 77 -16.024 6.015 -21.377 378 2HB GLN 77 1HB GLN 77 -16.693 7.642 -21.260 379 1HG GLN 77 2HG GLN 77 -17.082 7.489 -23.481 380 2HG GLN 77 1HG GLN 77 -15.340 7.680 -23.683 381 1HE2 GLN 77 2HE2 GLN 77 -15.046 3.925 -23.695 382 2HE2 GLN 77 1HE2 GLN 77 -14.500 5.137 -22.640 383 H GLN 78 H GLN 78 -15.274 7.590 -18.917 384 HA GLN 78 HA GLN 78 -15.908 10.356 -18.550 385 1HB GLN 78 2HB GLN 78 -16.251 8.058 -17.179 386 2HB GLN 78 1HB GLN 78 -14.877 8.712 -16.287 387 1HG GLN 78 2HG GLN 78 -16.059 10.681 -15.690 388 2HG GLN 78 1HG GLN 78 -17.315 10.386 -16.893 389 1HE2 GLN 78 2HE2 GLN 78 -17.358 7.876 -13.628 390 2HE2 GLN 78 1HE2 GLN 78 -15.868 8.300 -14.320 391 H LEU 79 H LEU 79 -12.881 8.631 -18.565 392 HA LEU 79 HA LEU 79 -11.344 10.603 -17.067 393 1HB LEU 79 2HB LEU 79 -10.980 8.048 -17.599 394 2HB LEU 79 1HB LEU 79 -10.228 8.663 -19.074 395 HG LEU 79 HG LEU 79 -8.856 10.196 -17.540 396 1HD1 LEU 79 3HD1 LEU 79 -10.365 9.785 -15.554 397 2HD1 LEU 79 2HD1 LEU 79 -9.698 8.155 -15.466 398 3HD1 LEU 79 1HD1 LEU 79 -8.648 9.551 -15.223 399 1HD2 LEU 79 3HD2 LEU 79 -8.387 7.682 -18.530 400 2HD2 LEU 79 2HD2 LEU 79 -7.178 8.667 -17.706 401 3HD2 LEU 79 1HD2 LEU 79 -8.080 7.444 -16.809 402 H GLN 80 H GLN 80 -11.707 9.781 -20.516 403 HA GLN 80 HA GLN 80 -9.924 11.773 -21.527 404 1HB GLN 80 2HB GLN 80 -11.823 9.778 -22.427 405 2HB GLN 80 1HB GLN 80 -11.942 11.232 -23.415 406 1HG GLN 80 2HG GLN 80 -9.974 10.788 -24.423 407 2HG GLN 80 1HG GLN 80 -9.168 10.582 -22.869 408 1HE2 GLN 80 2HE2 GLN 80 -10.326 7.009 -22.837 409 2HE2 GLN 80 1HE2 GLN 80 -10.626 8.358 -21.850 410 H LYS 81 H LYS 81 -13.462 11.798 -20.990 411 HA LYS 81 HA LYS 81 -13.893 14.444 -22.055 412 1HB LYS 81 2HB LYS 81 -15.479 12.412 -21.398 413 2HB LYS 81 1HB LYS 81 -15.549 13.254 -19.849 414 1HG LYS 81 2HG LYS 81 -17.117 14.604 -20.739 415 2HG LYS 81 1HG LYS 81 -15.864 15.261 -21.793 416 1HD LYS 81 2HD LYS 81 -16.627 14.128 -23.608 417 2HD LYS 81 1HD LYS 81 -16.942 12.664 -22.676 418 1HE LYS 81 2HE LYS 81 -19.070 13.447 -21.953 419 2HE LYS 81 1HE LYS 81 -18.706 15.116 -22.440 420 1HZ LYS 81 3HZ LYS 81 -18.633 12.890 -24.385 421 2HZ LYS 81 2HZ LYS 81 -20.084 13.703 -24.042 422 3HZ LYS 81 1HZ LYS 81 -18.762 14.554 -24.688 423 H ASP 82 H ASP 82 -13.272 13.215 -18.759 424 HA ASP 82 HA ASP 82 -13.548 15.644 -17.326 425 1HB ASP 82 2HB ASP 82 -13.135 13.244 -16.520 426 2HB ASP 82 1HB ASP 82 -11.430 13.524 -16.872 427 H LEU 83 H LEU 83 -10.803 14.327 -19.166 428 HA LEU 83 HA LEU 83 -8.912 16.396 -18.539 429 1HB LEU 83 2HB LEU 83 -8.327 14.209 -19.487 430 2HB LEU 83 1HB LEU 83 -9.257 14.571 -20.941 431 HG LEU 83 HG LEU 83 -7.185 16.556 -20.168 432 1HD1 LEU 83 2HD1 LEU 83 -6.240 14.150 -19.864 433 2HD1 LEU 83 1HD1 LEU 83 -6.351 14.051 -21.622 434 3HD1 LEU 83 3HD1 LEU 83 -5.334 15.281 -20.870 435 1HD2 LEU 83 3HD2 LEU 83 -8.526 15.477 -22.600 436 2HD2 LEU 83 2HD2 LEU 83 -8.119 17.143 -22.188 437 3HD2 LEU 83 1HD2 LEU 83 -6.873 16.056 -22.801 438 H ASN 84 H ASN 84 -11.364 16.029 -21.090 439 HA ASN 84 HA ASN 84 -10.628 18.362 -22.611 440 1HB ASN 84 2HB ASN 84 -12.432 16.236 -22.704 441 2HB ASN 84 1HB ASN 84 -13.460 17.661 -22.591 442 1HD2 ASN 84 2HD2 ASN 84 -11.166 17.085 -25.936 443 2HD2 ASN 84 1HD2 ASN 84 -10.871 16.165 -24.540 444 H ASP 85 H ASP 85 -12.755 17.807 -19.838 445 HA ASP 85 HA ASP 85 -13.998 20.409 -19.823 446 1HB ASP 85 2HB ASP 85 -14.644 18.226 -18.618 447 2HB ASP 85 1HB ASP 85 -13.405 18.643 -17.433 448 H LYS 86 H LYS 86 -10.873 19.244 -18.841 449 HA LYS 86 HA LYS 86 -10.267 21.542 -17.104 450 1HB LYS 86 2HB LYS 86 -8.597 19.337 -18.372 451 2HB LYS 86 1HB LYS 86 -7.984 20.488 -17.185 452 1HG LYS 86 2HG LYS 86 -10.282 18.559 -16.736 453 2HG LYS 86 1HG LYS 86 -8.648 18.373 -16.098 454 1HD LYS 86 2HD LYS 86 -8.939 20.627 -14.974 455 2HD LYS 86 1HD LYS 86 -10.639 20.554 -15.437 456 1HE LYS 86 2HE LYS 86 -11.091 18.752 -14.006 457 2HE LYS 86 1HE LYS 86 -9.391 18.241 -13.960 458 1HZ LYS 86 1HZ LYS 86 -8.970 20.535 -12.966 459 2HZ LYS 86 3HZ LYS 86 -10.639 20.591 -12.668 460 3HZ LYS 86 2HZ LYS 86 -9.691 19.374 -11.957 461 H THR 87 H THR 87 -10.027 20.609 -20.446 462 HA THR 87 HA THR 87 -8.210 22.784 -21.221 463 HB THR 87 HB THR 87 -9.832 20.623 -22.610 464 HG1 THR 87 HG1 THR 87 -8.065 19.575 -22.286 465 1HG2 THR 87 2HG2 THR 87 -8.616 23.044 -23.725 466 2HG2 THR 87 1HG2 THR 87 -8.021 21.561 -24.470 467 3HG2 THR 87 3HG2 THR 87 -9.748 21.910 -24.461 468 H GLU 88 H GLU 88 -11.669 21.963 -21.409 469 HA GLU 88 HA GLU 88 -12.509 24.269 -22.909 470 1HB GLU 88 2HB GLU 88 -13.804 22.322 -20.989 471 2HB GLU 88 1HB GLU 88 -14.729 23.626 -21.736 472 1HG GLU 88 2HG GLU 88 -14.043 22.809 -23.976 473 2HG GLU 88 1HG GLU 88 -13.178 21.477 -23.210 474 H GLU 89 H GLU 89 -11.958 23.611 -19.490 475 HA GLU 89 HA GLU 89 -13.077 26.099 -18.492 476 1HB GLU 89 2HB GLU 89 -11.540 23.756 -17.549 477 2HB GLU 89 1HB GLU 89 -11.213 25.245 -16.660 478 1HG GLU 89 2HG GLU 89 -14.059 24.933 -17.152 479 2HG GLU 89 1HG GLU 89 -13.407 23.533 -16.299 480 H ASN 90 H ASN 90 -9.774 24.933 -19.180 481 HA ASN 90 HA ASN 90 -8.314 27.283 -18.554 482 1HB ASN 90 2HB ASN 90 -8.024 24.775 -20.006 483 2HB ASN 90 1HB ASN 90 -7.162 26.071 -20.830 484 1HD2 ASN 90 2HD2 ASN 90 -5.225 24.450 -17.884 485 2HD2 ASN 90 1HD2 ASN 90 -6.269 23.702 -18.994 486 H ASN 91 H ASN 91 -10.356 26.448 -21.262 487 HA ASN 91 HA ASN 91 -9.495 28.602 -23.028 488 1HB ASN 91 2HB ASN 91 -11.402 26.361 -22.912 489 2HB ASN 91 1HB ASN 91 -12.011 27.747 -23.812 490 1HD2 ASN 91 2HD2 ASN 91 -8.912 25.554 -25.311 491 2HD2 ASN 91 1HD2 ASN 91 -9.489 25.267 -23.741 492 H ARG 92 H ARG 92 -12.050 28.108 -20.623 493 HA ARG 92 HA ARG 92 -13.535 30.519 -21.227 494 1HB ARG 92 2HB ARG 92 -14.367 28.495 -20.027 495 2HB ARG 92 1HB ARG 92 -13.307 28.902 -18.677 496 1HG ARG 92 2HG ARG 92 -14.509 30.859 -18.158 497 2HG ARG 92 1HG ARG 92 -15.289 30.905 -19.739 498 1HD ARG 92 2HD ARG 92 -16.870 29.312 -19.157 499 2HD ARG 92 1HD ARG 92 -15.784 28.508 -18.007 500 HE ARG 92 HE ARG 92 -16.189 30.342 -16.429 501 1HH1 ARG 92 1HH2 ARG 92 -16.889 32.523 -18.322 502 2HH1 ARG 92 2HH2 ARG 92 -18.607 32.639 -18.145 503 1HH2 ARG 92 2HH1 ARG 92 -18.925 29.541 -16.618 504 2HH2 ARG 92 1HH1 ARG 92 -19.761 30.951 -17.180 505 H LEU 93 H LEU 93 -11.405 29.726 -18.436 506 HA LEU 93 HA LEU 93 -11.233 32.255 -17.252 507 1HB LEU 93 2HB LEU 93 -9.289 29.972 -17.629 508 2HB LEU 93 1HB LEU 93 -8.845 31.392 -16.681 509 HG LEU 93 HG LEU 93 -11.490 30.435 -15.954 510 1HD1 LEU 93 2HD1 LEU 93 -9.952 28.337 -16.718 511 2HD1 LEU 93 1HD1 LEU 93 -9.413 28.516 -15.048 512 3HD1 LEU 93 3HD1 LEU 93 -11.120 28.244 -15.400 513 1HD2 LEU 93 3HD2 LEU 93 -8.913 31.234 -14.699 514 2HD2 LEU 93 2HD2 LEU 93 -10.557 31.742 -14.310 515 3HD2 LEU 93 1HD2 LEU 93 -9.957 30.184 -13.741 516 H LYS 94 H LYS 94 -9.342 30.967 -19.973 517 HA LYS 94 HA LYS 94 -7.565 33.134 -20.379 518 1HB LYS 94 2HB LYS 94 -8.806 30.944 -21.990 519 2HB LYS 94 1HB LYS 94 -7.978 32.224 -22.874 520 1HG LYS 94 2HG LYS 94 -5.917 31.806 -21.746 521 2HG LYS 94 1HG LYS 94 -6.702 30.784 -20.542 522 1HD LYS 94 2HD LYS 94 -6.064 29.056 -21.866 523 2HD LYS 94 1HD LYS 94 -7.406 29.547 -22.900 524 1HE LYS 94 2HE LYS 94 -6.015 30.594 -24.441 525 2HE LYS 94 1HE LYS 94 -4.766 30.942 -23.229 526 1HZ LYS 94 1HZ LYS 94 -4.587 28.420 -23.031 527 2HZ LYS 94 3HZ LYS 94 -5.414 28.357 -24.511 528 3HZ LYS 94 2HZ LYS 94 -3.909 29.140 -24.413 529 H ALA 95 H ALA 95 -10.948 32.666 -21.389 530 HA ALA 95 HA ALA 95 -10.894 35.362 -22.682 531 1HB ALA 95 1HB ALA 95 -11.714 33.282 -23.870 532 2HB ALA 95 3HB ALA 95 -13.040 33.218 -22.709 533 3HB ALA 95 2HB ALA 95 -12.894 34.590 -23.808 534 H LEU 96 H LEU 96 -11.650 34.029 -19.690 535 HA LEU 96 HA LEU 96 -14.113 35.455 -19.115 536 1HB LEU 96 2HB LEU 96 -12.620 33.436 -17.986 537 2HB LEU 96 1HB LEU 96 -12.256 34.788 -16.914 538 HG LEU 96 HG LEU 96 -15.079 34.051 -17.713 539 1HD1 LEU 96 3HD1 LEU 96 -13.728 32.245 -16.429 540 2HD1 LEU 96 2HD1 LEU 96 -13.799 33.367 -15.070 541 3HD1 LEU 96 1HD1 LEU 96 -15.290 32.731 -15.768 542 1HD2 LEU 96 1HD2 LEU 96 -14.348 36.374 -16.766 543 2HD2 LEU 96 3HD2 LEU 96 -15.740 35.568 -16.044 544 3HD2 LEU 96 2HD2 LEU 96 -14.172 35.510 -15.239 545 H LEU 97 H LEU 97 -10.656 35.999 -18.419 546 HA LEU 97 HA LEU 97 -11.008 38.888 -18.542 547 1HB LEU 97 2HB LEU 97 -10.388 39.177 -16.165 548 2HB LEU 97 1HB LEU 97 -11.913 38.319 -16.339 549 HG LEU 97 HG LEU 97 -10.055 36.279 -16.390 550 1HD1 LEU 97 2HD1 LEU 97 -9.016 38.592 -14.833 551 2HD1 LEU 97 1HD1 LEU 97 -8.900 37.010 -14.064 552 3HD1 LEU 97 3HD1 LEU 97 -8.137 37.287 -15.630 553 1HD2 LEU 97 2HD2 LEU 97 -12.128 37.315 -14.654 554 2HD2 LEU 97 1HD2 LEU 97 -11.644 35.641 -14.922 555 3HD2 LEU 97 3HD2 LEU 97 -10.828 36.609 -13.695 556 H LEU 98 H LEU 98 -9.279 36.618 -19.620 557 HA LEU 98 HA LEU 98 -6.615 37.603 -18.688 558 1HB LEU 98 2HB LEU 98 -7.027 35.240 -18.312 559 2HB LEU 98 1HB LEU 98 -7.570 35.028 -19.972 560 HG LEU 98 HG LEU 98 -5.006 36.245 -20.057 561 1HD1 LEU 98 3HD1 LEU 98 -4.896 35.213 -17.700 562 2HD1 LEU 98 2HD1 LEU 98 -4.940 33.649 -18.512 563 3HD1 LEU 98 1HD1 LEU 98 -3.611 34.765 -18.821 564 1HD2 LEU 98 1HD2 LEU 98 -6.235 34.629 -21.652 565 2HD2 LEU 98 3HD2 LEU 98 -4.497 34.399 -21.462 566 3HD2 LEU 98 2HD2 LEU 98 -5.624 33.343 -20.612 567 H GLU 99 H GLU 99 -8.754 37.206 -21.400 568 HA GLU 99 HA GLU 99 -6.647 38.053 -23.325 569 1HB GLU 99 2HB GLU 99 -8.134 36.060 -23.718 570 2HB GLU 99 1HB GLU 99 -9.511 37.162 -23.772 571 1HG GLU 99 2HG GLU 99 -7.672 38.328 -25.504 572 2HG GLU 99 1HG GLU 99 -7.509 36.600 -25.823 573 H ARG 100 HN ARG 100 -9.654 39.116 -21.829 574 HA ARG 100 HA ARG 100 -9.916 41.469 -23.579 575 1HB ARG 100 2HB ARG 100 -11.360 40.200 -21.278 576 2HB ARG 100 1HB ARG 100 -11.704 41.889 -21.657 577 1HG ARG 100 2HG ARG 100 -12.544 41.379 -23.781 578 2HG ARG 100 1HG ARG 100 -11.691 39.836 -23.854 579 1HD ARG 100 2HD ARG 100 -13.461 38.754 -22.940 580 2HD ARG 100 1HD ARG 100 -13.524 39.906 -21.590 581 HE ARG 100 HE ARG 100 -15.034 41.273 -22.862 582 1HH1 ARG 100 1HH2 ARG 100 -13.908 41.197 -25.552 583 2HH1 ARG 100 2HH2 ARG 100 -15.005 40.181 -26.425 584 1HH2 ARG 100 1HH1 ARG 100 -16.427 38.814 -23.574 585 2HH2 ARG 100 2HH1 ARG 100 -16.431 38.832 -25.306 586 1H MET 30 1H MET 30 -36.880 -22.924 -19.638 587 2H MET 30 3H MET 30 -36.744 -22.830 -17.949 588 3H MET 30 2H MET 30 -35.849 -21.773 -18.933 589 HA MET 30 HA MET 30 -34.329 -23.426 -18.200 590 1HB MET 30 2HB MET 30 -36.661 -24.851 -17.931 591 2HB MET 30 1HB MET 30 -35.906 -25.666 -19.301 592 1HG MET 30 2HG MET 30 -33.958 -25.093 -17.219 593 2HG MET 30 1HG MET 30 -35.297 -26.051 -16.590 594 1HE MET 30 2HE MET 30 -32.297 -25.650 -18.132 595 2HE MET 30 1HE MET 30 -31.703 -27.266 -18.502 596 3HE MET 30 3HE MET 30 -32.457 -26.286 -19.767 597 H SER 31 H SER 31 -34.146 -21.897 -20.394 598 HA SER 31 HA SER 31 -33.932 -23.671 -22.781 599 1HB SER 31 2HB SER 31 -33.784 -20.670 -22.361 600 2HB SER 31 1HB SER 31 -33.645 -21.458 -23.931 601 HG SER 31 HG SER 31 -35.752 -21.205 -23.869 602 H VAL 32 H VAL 32 -31.974 -21.127 -21.170 603 HA VAL 32 HA VAL 32 -29.529 -22.722 -21.846 604 HB VAL 32 HB VAL 32 -29.941 -19.727 -22.119 605 1HG1 VAL 32 3HG1 VAL 32 -27.587 -21.254 -21.810 606 2HG1 VAL 32 2HG1 VAL 32 -27.681 -20.855 -23.526 607 3HG1 VAL 32 1HG1 VAL 32 -27.704 -19.569 -22.319 608 1HG2 VAL 32 3HG2 VAL 32 -29.841 -21.974 -24.151 609 2HG2 VAL 32 2HG2 VAL 32 -31.167 -20.848 -23.866 610 3HG2 VAL 32 1HG2 VAL 32 -29.661 -20.274 -24.581 611 H ALA 33 H ALA 33 -29.064 -23.368 -19.721 612 HA ALA 33 HA ALA 33 -29.463 -21.925 -17.332 613 1HB ALA 33 2HB ALA 33 -28.606 -24.357 -17.946 614 2HB ALA 33 1HB ALA 33 -27.018 -23.615 -17.755 615 3HB ALA 33 3HB ALA 33 -28.155 -23.622 -16.408 616 H CYS 34 H CYS 34 -27.652 -20.948 -15.956 617 HA CYS 34 HA CYS 34 -26.494 -18.673 -17.183 618 1HB CYS 34 2HB CYS 34 -25.607 -20.212 -14.723 619 2HB CYS 34 1HB CYS 34 -25.244 -18.524 -15.065 620 H LEU 35 H LEU 35 -23.924 -18.375 -16.934 621 HA LEU 35 HA LEU 35 -22.709 -20.174 -18.865 622 1HB LEU 35 2HB LEU 35 -22.115 -17.675 -17.407 623 2HB LEU 35 1HB LEU 35 -20.696 -18.636 -17.819 624 HG LEU 35 HG LEU 35 -21.948 -18.793 -20.173 625 1HD1 LEU 35 3HD1 LEU 35 -23.417 -16.785 -18.686 626 2HD1 LEU 35 2HD1 LEU 35 -22.672 -16.073 -20.117 627 3HD1 LEU 35 1HD1 LEU 35 -23.758 -17.453 -20.281 628 1HD2 LEU 35 2HD2 LEU 35 -20.154 -16.679 -19.017 629 2HD2 LEU 35 1HD2 LEU 35 -19.783 -17.922 -20.213 630 3HD2 LEU 35 3HD2 LEU 35 -20.727 -16.505 -20.676 631 H SER 36 H SER 36 -22.464 -19.660 -15.383 632 HA SER 36 HA SER 36 -20.289 -21.502 -14.917 633 1HB SER 36 2HB SER 36 -22.205 -19.856 -13.440 634 2HB SER 36 1HB SER 36 -21.877 -21.380 -12.621 635 HG SER 36 HG SER 36 -19.834 -20.813 -12.358 636 H CYS 37 H CYS 37 -23.841 -21.787 -14.642 637 HA CYS 37 HA CYS 37 -23.934 -24.533 -13.864 638 1HB CYS 37 2HB CYS 37 -25.872 -22.881 -15.524 639 2HB CYS 37 1HB CYS 37 -26.273 -24.334 -14.613 640 H ARG 38 H ARG 38 -23.372 -22.967 -16.940 641 HA ARG 38 HA ARG 38 -23.968 -25.285 -18.606 642 1HB ARG 38 2HB ARG 38 -22.941 -22.515 -18.838 643 2HB ARG 38 1HB ARG 38 -22.364 -23.630 -20.078 644 1HG ARG 38 2HG ARG 38 -25.281 -23.246 -19.344 645 2HG ARG 38 1HG ARG 38 -24.489 -22.482 -20.723 646 1HD ARG 38 2HD ARG 38 -23.768 -24.986 -21.270 647 2HD ARG 38 1HD ARG 38 -25.220 -25.358 -20.319 648 HE ARG 38 HE ARG 38 -25.560 -23.241 -22.338 649 1HH1 ARG 38 2HH1 ARG 38 -28.043 -24.235 -21.925 650 2HH1 ARG 38 1HH1 ARG 38 -28.242 -25.619 -22.946 651 1HH2 ARG 38 1HH2 ARG 38 -24.842 -26.043 -23.481 652 2HH2 ARG 38 2HH2 ARG 38 -26.430 -26.643 -23.827 653 H LYS 39 H LYS 39 -21.057 -23.863 -17.145 654 HA LYS 39 HA LYS 39 -19.101 -25.480 -18.461 655 1HB LYS 39 2HB LYS 39 -18.568 -23.464 -17.204 656 2HB LYS 39 1HB LYS 39 -19.221 -24.169 -15.725 657 1HG LYS 39 2HG LYS 39 -17.099 -25.733 -17.099 658 2HG LYS 39 1HG LYS 39 -16.588 -24.229 -16.332 659 1HD LYS 39 2HD LYS 39 -17.820 -25.007 -14.246 660 2HD LYS 39 1HD LYS 39 -17.987 -26.577 -15.031 661 1HE LYS 39 2HE LYS 39 -15.980 -26.958 -13.943 662 2HE LYS 39 1HE LYS 39 -15.330 -26.180 -15.400 663 1HZ LYS 39 2HZ LYS 39 -16.218 -24.661 -13.011 664 2HZ LYS 39 1HZ LYS 39 -14.608 -25.153 -13.241 665 3HZ LYS 39 3HZ LYS 39 -15.332 -24.081 -14.339 666 H ARG 40 H ARG 40 -21.032 -26.016 -15.521 667 HA ARG 40 HA ARG 40 -19.797 -28.716 -15.203 668 1HB ARG 40 2HB ARG 40 -21.648 -27.101 -13.423 669 2HB ARG 40 1HB ARG 40 -20.794 -28.575 -12.963 670 1HG ARG 40 2HG ARG 40 -18.637 -27.433 -13.372 671 2HG ARG 40 1HG ARG 40 -19.511 -25.959 -13.791 672 1HD ARG 40 2HD ARG 40 -20.549 -25.983 -11.500 673 2HD ARG 40 1HD ARG 40 -19.501 -27.357 -11.093 674 HE ARG 40 HE ARG 40 -17.875 -25.319 -12.234 675 1HH1 ARG 40 1HH1 ARG 40 -19.099 -24.419 -8.601 676 2HH1 ARG 40 2HH1 ARG 40 -20.195 -25.004 -9.808 677 1HH2 ARG 40 1HH2 ARG 40 -16.268 -24.974 -10.524 678 2HH2 ARG 40 2HH2 ARG 40 -16.876 -24.402 -9.006 679 H HIS 41 H HIS 41 -22.311 -27.442 -16.891 680 HA HIS 41 HA HIS 41 -24.338 -28.305 -17.709 681 1HB HIS 41 2HB HIS 41 -22.651 -30.682 -16.942 682 2HB HIS 41 1HB HIS 41 -24.260 -30.910 -17.620 683 HD1 HIS 41 HD1 HIS 41 -20.794 -30.154 -18.559 684 HD2 HIS 41 HD2 HIS 41 -24.558 -29.693 -20.293 685 HE1 HIS 41 HE1 HIS 41 -20.400 -29.715 -21.022 686 H ILE 42 H ILE 42 -24.961 -27.209 -15.409 687 HA ILE 42 HA ILE 42 -26.180 -29.286 -13.639 688 HB ILE 42 HB ILE 42 -25.700 -26.314 -13.244 689 1HG1 ILE 42 2HG1 ILE 42 -23.594 -27.576 -13.498 690 2HG1 ILE 42 1HG1 ILE 42 -23.807 -27.052 -11.828 691 1HG2 ILE 42 3HG2 ILE 42 -26.690 -28.543 -11.466 692 2HG2 ILE 42 2HG2 ILE 42 -25.929 -27.104 -10.788 693 3HG2 ILE 42 1HG2 ILE 42 -27.407 -26.955 -11.739 694 1HD1 ILE 42 2HD1 ILE 42 -24.908 -29.351 -11.436 695 2HD1 ILE 42 1HD1 ILE 42 -24.202 -29.812 -12.985 696 3HD1 ILE 42 3HD1 ILE 42 -23.157 -29.324 -11.650 697 H LYS 43 H LYS 43 -28.400 -28.791 -12.847 698 HA LYS 43 HA LYS 43 -30.120 -27.843 -15.044 699 1HB LYS 43 2HB LYS 43 -30.306 -29.461 -12.570 700 2HB LYS 43 1HB LYS 43 -31.762 -28.555 -12.982 701 1HG LYS 43 2HG LYS 43 -32.225 -30.300 -14.357 702 2HG LYS 43 1HG LYS 43 -31.019 -29.582 -15.424 703 1HD LYS 43 2HD LYS 43 -29.259 -30.946 -14.319 704 2HD LYS 43 1HD LYS 43 -30.501 -31.704 -13.322 705 1HE LYS 43 2HE LYS 43 -31.609 -32.140 -15.737 706 2HE LYS 43 1HE LYS 43 -29.899 -32.109 -16.213 707 1HZ LYS 43 3HZ LYS 43 -29.538 -33.561 -14.170 708 2HZ LYS 43 2HZ LYS 43 -31.216 -33.830 -14.199 709 3HZ LYS 43 1HZ LYS 43 -30.255 -34.297 -15.519 710 H CYS 44 H CYS 44 -29.728 -25.532 -14.965 711 HA CYS 44 HA CYS 44 -29.953 -23.971 -12.555 712 1HB CYS 44 2HB CYS 44 -28.775 -23.252 -14.586 713 2HB CYS 44 1HB CYS 44 -30.287 -23.291 -15.495 714 HA PRO 45 HA PRO 45 -34.403 -24.073 -12.121 715 1HB PRO 45 2HB PRO 45 -34.436 -21.477 -10.882 716 2HB PRO 45 1HB PRO 45 -34.556 -23.057 -10.101 717 1HG PRO 45 2HG PRO 45 -32.345 -21.233 -10.043 718 2HG PRO 45 1HG PRO 45 -32.466 -22.817 -9.272 719 1HD PRO 45 2HD PRO 45 -30.874 -22.079 -11.563 720 2HD PRO 45 1HD PRO 45 -30.995 -23.676 -10.786 721 H GLY 46 H GLY 46 -33.432 -20.651 -12.550 722 1HA GLY 46 2HA GLY 46 -33.804 -19.944 -15.069 723 2HA GLY 46 1HA GLY 46 -35.464 -20.423 -14.708 724 H GLY 47 H GLY 47 -33.016 -17.996 -14.188 725 1HA GLY 47 2HA GLY 47 -34.911 -15.945 -13.628 726 2HA GLY 47 1HA GLY 47 -34.245 -16.511 -12.096 727 H ASN 48 H ASN 48 -33.736 -13.912 -12.813 728 HA ASN 48 HA ASN 48 -30.814 -14.014 -13.436 729 1HB ASN 48 2HB ASN 48 -33.029 -12.721 -14.872 730 2HB ASN 48 1HB ASN 48 -31.673 -11.641 -14.539 731 1HD2 ASN 48 2HD2 ASN 48 -29.356 -13.912 -16.319 732 2HD2 ASN 48 1HD2 ASN 48 -29.448 -13.200 -14.778 733 HA PRO 49 HA PRO 49 -29.273 -14.010 -12.191 734 1HB PRO 49 2HB PRO 49 -29.032 -14.569 -9.384 735 2HB PRO 49 1HB PRO 49 -27.876 -13.736 -10.421 736 1HG PRO 49 2HG PRO 49 -29.468 -12.598 -8.354 737 2HG PRO 49 1HG PRO 49 -28.395 -11.753 -9.472 738 1HD PRO 49 2HD PRO 49 -31.309 -11.788 -9.436 739 2HD PRO 49 1HD PRO 49 -30.224 -10.806 -10.451 740 H CYS 50 H CYS 50 -29.184 -16.413 -11.411 741 HA CYS 50 HA CYS 50 -31.952 -17.453 -11.323 742 1HB CYS 50 2HB CYS 50 -30.815 -19.572 -11.867 743 2HB CYS 50 1HB CYS 50 -30.237 -18.288 -12.924 744 H GLN 51 H GLN 51 -30.560 -19.933 -9.931 745 HA GLN 51 HA GLN 51 -30.549 -18.809 -7.158 746 1HB GLN 51 2HB GLN 51 -32.776 -19.773 -7.962 747 2HB GLN 51 1HB GLN 51 -31.973 -21.345 -7.990 748 1HG GLN 51 2HG GLN 51 -32.851 -21.341 -5.835 749 2HG GLN 51 1HG GLN 51 -31.244 -20.675 -5.544 750 1HE2 GLN 51 2HE2 GLN 51 -32.490 -17.591 -4.397 751 2HE2 GLN 51 1HE2 GLN 51 -31.162 -18.635 -4.563 752 H LYS 52 H LYS 52 -29.743 -21.554 -9.283 753 HA LYS 52 HA LYS 52 -28.284 -23.102 -7.384 754 1HB LYS 52 2HB LYS 52 -28.399 -22.787 -10.362 755 2HB LYS 52 1HB LYS 52 -27.114 -23.781 -9.669 756 1HG LYS 52 2HG LYS 52 -29.908 -24.204 -8.685 757 2HG LYS 52 1HG LYS 52 -29.482 -24.834 -10.278 758 1HD LYS 52 2HD LYS 52 -27.845 -26.275 -9.414 759 2HD LYS 52 1HD LYS 52 -27.685 -25.351 -7.920 760 1HE LYS 52 2HE LYS 52 -28.924 -27.290 -7.289 761 2HE LYS 52 1HE LYS 52 -30.162 -26.031 -7.483 762 1HZ LYS 52 1HZ LYS 52 -30.233 -26.755 -9.894 763 2HZ LYS 52 3HZ LYS 52 -29.378 -28.139 -9.412 764 3HZ LYS 52 2HZ LYS 52 -30.920 -27.825 -8.768 765 H CYS 53 H CYS 53 -27.421 -20.204 -9.139 766 HA CYS 53 HA CYS 53 -24.550 -20.495 -8.393 767 1HB CYS 53 2HB CYS 53 -26.246 -18.869 -10.221 768 2HB CYS 53 1HB CYS 53 -24.667 -18.239 -9.768 769 H VAL 54 H VAL 54 -27.369 -18.377 -7.939 770 HA VAL 54 HA VAL 54 -26.121 -16.370 -6.353 771 HB VAL 54 HB VAL 54 -28.950 -17.393 -5.956 772 1HG1 VAL 54 1HG1 VAL 54 -27.576 -15.279 -4.855 773 2HG1 VAL 54 3HG1 VAL 54 -28.382 -14.514 -6.227 774 3HG1 VAL 54 2HG1 VAL 54 -29.332 -15.365 -5.005 775 1HG2 VAL 54 1HG2 VAL 54 -27.766 -15.917 -8.307 776 2HG2 VAL 54 3HG2 VAL 54 -28.896 -17.272 -8.312 777 3HG2 VAL 54 2HG2 VAL 54 -29.450 -15.665 -7.847 778 H THR 55 H THR 55 -27.340 -19.567 -5.679 779 HA THR 55 HA THR 55 -27.055 -19.386 -2.781 780 HB THR 55 HB THR 55 -28.683 -20.816 -4.051 781 HG1 THR 55 HG1 THR 55 -26.854 -22.346 -2.531 782 1HG2 THR 55 1HG2 THR 55 -26.880 -21.395 -5.796 783 2HG2 THR 55 3HG2 THR 55 -26.359 -22.630 -4.654 784 3HG2 THR 55 2HG2 THR 55 -27.991 -22.675 -5.321 785 H SER 56 H SER 56 -25.205 -20.542 -5.539 786 HA SER 56 HA SER 56 -23.019 -21.567 -3.806 787 1HB SER 56 2HB SER 56 -23.696 -21.612 -6.753 788 2HB SER 56 1HB SER 56 -22.129 -22.154 -6.161 789 HG SER 56 HG SER 56 -23.276 -23.613 -4.793 790 H ASN 57 H ASN 57 -23.788 -18.634 -4.212 791 HA ASN 57 HA ASN 57 -22.804 -16.569 -4.696 792 1HB ASN 57 2HB ASN 57 -20.716 -16.348 -3.537 793 2HB ASN 57 1HB ASN 57 -21.673 -17.544 -2.675 794 1HD2 ASN 57 2HD2 ASN 57 -19.420 -20.205 -3.315 795 2HD2 ASN 57 1HD2 ASN 57 -20.940 -19.766 -2.699 796 H ALA 58 H ALA 58 -23.053 -17.948 -6.991 797 HA ALA 58 HA ALA 58 -20.458 -17.588 -8.445 798 1HB ALA 58 1HB ALA 58 -22.444 -19.640 -8.301 799 2HB ALA 58 3HB ALA 58 -22.472 -18.980 -9.938 800 3HB ALA 58 2HB ALA 58 -20.970 -19.627 -9.275 801 H ILE 59 H ILE 59 -21.055 -17.048 -10.917 802 HA ILE 59 HA ILE 59 -22.723 -14.597 -10.826 803 HB ILE 59 HB ILE 59 -20.933 -15.700 -13.004 804 1HG1 ILE 59 2HG1 ILE 59 -20.292 -13.746 -10.769 805 2HG1 ILE 59 1HG1 ILE 59 -19.661 -15.389 -10.910 806 1HG2 ILE 59 1HG2 ILE 59 -22.763 -13.678 -13.138 807 2HG2 ILE 59 3HG2 ILE 59 -21.321 -12.795 -12.639 808 3HG2 ILE 59 2HG2 ILE 59 -21.300 -13.751 -14.121 809 1HD1 ILE 59 1HD1 ILE 59 -19.064 -14.338 -13.378 810 2HD1 ILE 59 3HD1 ILE 59 -18.849 -12.940 -12.326 811 3HD1 ILE 59 2HD1 ILE 59 -17.937 -14.420 -12.025 812 H CYS 60 H CYS 60 -24.644 -14.486 -11.887 813 HA CYS 60 HA CYS 60 -25.520 -16.878 -13.458 814 1HB CYS 60 2HB CYS 60 -27.300 -14.781 -12.195 815 2HB CYS 60 1HB CYS 60 -27.701 -16.435 -12.634 816 H GLU 61 H GLU 61 -25.134 -16.320 -15.606 817 HA GLU 61 HA GLU 61 -26.478 -13.846 -16.599 818 1HB GLU 61 2HB GLU 61 -23.585 -14.664 -16.820 819 2HB GLU 61 1HB GLU 61 -24.310 -13.614 -18.037 820 1HG GLU 61 2HG GLU 61 -25.180 -12.376 -15.795 821 2HG GLU 61 1HG GLU 61 -23.664 -13.049 -15.195 822 H TYR 62 H TYR 62 -27.100 -13.998 -18.826 823 HA TYR 62 HA TYR 62 -26.934 -16.767 -19.972 824 1HB TYR 62 2HB TYR 62 -29.082 -14.627 -20.122 825 2HB TYR 62 1HB TYR 62 -29.153 -16.169 -20.974 826 HD1 TYR 62 HD2 TYR 62 -28.031 -18.055 -19.005 827 HD2 TYR 62 HD1 TYR 62 -30.742 -14.742 -18.435 828 HE1 TYR 62 HE2 TYR 62 -28.938 -19.148 -16.958 829 HE2 TYR 62 HE1 TYR 62 -31.649 -15.838 -16.387 830 HH TYR 62 HH TYR 62 -30.114 -18.470 -14.871 831 H LEU 63 H LEU 63 -26.500 -13.339 -20.538 832 HA LEU 63 HA LEU 63 -25.939 -13.845 -23.431 833 1HB LEU 63 2HB LEU 63 -26.586 -11.411 -21.752 834 2HB LEU 63 1HB LEU 63 -26.029 -11.274 -23.421 835 HG LEU 63 HG LEU 63 -28.062 -13.247 -23.413 836 1HD1 LEU 63 3HD1 LEU 63 -28.702 -10.803 -21.753 837 2HD1 LEU 63 2HD1 LEU 63 -29.955 -11.729 -22.579 838 3HD1 LEU 63 1HD1 LEU 63 -28.963 -12.498 -21.340 839 1HD2 LEU 63 3HD2 LEU 63 -27.271 -11.166 -24.969 840 2HD2 LEU 63 2HD2 LEU 63 -28.824 -11.979 -25.164 841 3HD2 LEU 63 1HD2 LEU 63 -28.725 -10.475 -24.248 842 H GLU 64 H GLU 64 -24.202 -11.723 -23.906 843 HA GLU 64 HA GLU 64 -21.909 -12.082 -22.031 844 1HB GLU 64 2HB GLU 64 -22.228 -13.575 -24.324 845 2HB GLU 64 1HB GLU 64 -21.238 -12.233 -24.900 846 1HG GLU 64 2HG GLU 64 -20.606 -13.936 -22.471 847 2HG GLU 64 1HG GLU 64 -19.851 -14.116 -24.054 848 HA PRO 65 HA PRO 65 -22.619 -7.736 -23.756 849 1HB PRO 65 2HB PRO 65 -22.248 -6.776 -21.070 850 2HB PRO 65 1HB PRO 65 -23.715 -6.719 -22.052 851 1HG PRO 65 2HG PRO 65 -23.207 -8.361 -19.764 852 2HG PRO 65 1HG PRO 65 -24.654 -8.330 -20.775 853 1HD PRO 65 2HD PRO 65 -22.624 -10.401 -20.650 854 2HD PRO 65 1HD PRO 65 -24.108 -10.371 -21.635 855 H SER 66 H SER 66 -20.746 -6.813 -24.526 856 HA SER 66 HA SER 66 -18.204 -7.297 -23.021 857 1HB SER 66 2HB SER 66 -18.022 -8.167 -25.194 858 2HB SER 66 1HB SER 66 -18.997 -6.878 -25.894 859 HG SER 66 HG SER 66 -17.099 -6.081 -26.363 860 H LYS 67 H LYS 67 -18.236 -5.497 -21.587 861 HA LYS 67 HA LYS 67 -18.019 -2.823 -22.924 862 1HB LYS 67 2HB LYS 67 -19.436 -3.506 -20.328 863 2HB LYS 67 1HB LYS 67 -19.354 -1.910 -21.074 864 1HG LYS 67 2HG LYS 67 -20.404 -3.053 -23.150 865 2HG LYS 67 1HG LYS 67 -20.821 -4.360 -22.042 866 1HD LYS 67 2HD LYS 67 -22.575 -3.179 -21.277 867 2HD LYS 67 1HD LYS 67 -21.500 -1.862 -20.806 868 1HE LYS 67 2HE LYS 67 -21.656 -0.857 -23.009 869 2HE LYS 67 1HE LYS 67 -22.562 -2.252 -23.627 870 1HZ LYS 67 1HZ LYS 67 -23.472 -0.734 -21.257 871 2HZ LYS 67 3HZ LYS 67 -23.914 -0.264 -22.826 872 3HZ LYS 67 2HZ LYS 67 -24.365 -1.794 -22.240 873 H LYS 68 H LYS 68 -15.987 -4.801 -21.844 874 HA LYS 68 HA LYS 68 -14.854 -3.184 -19.593 875 1HB LYS 68 2HB LYS 68 -14.277 -5.990 -20.601 876 2HB LYS 68 1HB LYS 68 -13.547 -5.254 -19.174 877 1HG LYS 68 2HG LYS 68 -16.389 -4.943 -18.992 878 2HG LYS 68 1HG LYS 68 -16.036 -6.633 -19.352 879 1HD LYS 68 2HD LYS 68 -15.040 -6.988 -17.336 880 2HD LYS 68 1HD LYS 68 -14.268 -5.402 -17.329 881 1HE LYS 68 2HE LYS 68 -17.237 -5.424 -17.047 882 2HE LYS 68 1HE LYS 68 -16.293 -5.992 -15.655 883 1HZ LYS 68 3HZ LYS 68 -14.881 -3.996 -15.920 884 2HZ LYS 68 2HZ LYS 68 -15.945 -3.428 -17.117 885 3HZ LYS 68 1HZ LYS 68 -16.485 -3.620 -15.517 886 H ILE 69 H ILE 69 -13.436 -1.656 -20.414 887 HA ILE 69 HA ILE 69 -12.175 -1.712 -22.944 888 HB ILE 69 HB ILE 69 -12.450 0.188 -21.264 889 1HG1 ILE 69 2HG1 ILE 69 -10.397 1.327 -21.994 890 2HG1 ILE 69 1HG1 ILE 69 -9.692 -0.223 -22.451 891 1HG2 ILE 69 2HG2 ILE 69 -11.499 -0.990 -19.315 892 2HG2 ILE 69 1HG2 ILE 69 -9.928 -1.026 -20.109 893 3HG2 ILE 69 3HG2 ILE 69 -10.643 0.515 -19.636 894 1HD1 ILE 69 1HD1 ILE 69 -12.323 0.713 -23.598 895 2HD1 ILE 69 3HD1 ILE 69 -10.784 1.165 -24.329 896 3HD1 ILE 69 2HD1 ILE 69 -11.241 -0.534 -24.219 897 H VAL 70 H VAL 70 -9.774 -1.956 -23.316 898 HA VAL 70 HA VAL 70 -8.085 -3.444 -21.540 899 HB VAL 70 HB VAL 70 -9.736 -5.202 -21.900 900 1HG1 VAL 70 1HG1 VAL 70 -9.957 -4.016 -24.437 901 2HG1 VAL 70 3HG1 VAL 70 -9.327 -5.636 -24.733 902 3HG1 VAL 70 2HG1 VAL 70 -10.837 -5.426 -23.847 903 1HG2 VAL 70 3HG2 VAL 70 -7.154 -5.566 -23.437 904 2HG2 VAL 70 2HG2 VAL 70 -7.492 -6.035 -21.771 905 3HG2 VAL 70 1HG2 VAL 70 -8.265 -6.894 -23.103 906 H VAL 71 H VAL 71 -6.312 -2.317 -22.306 907 HA VAL 71 HA VAL 71 -5.402 -2.887 -25.052 908 HB VAL 71 HB VAL 71 -6.059 -0.113 -24.010 909 1HG1 VAL 71 3HG1 VAL 71 -4.138 -1.020 -26.029 910 2HG1 VAL 71 2HG1 VAL 71 -5.322 0.117 -26.674 911 3HG1 VAL 71 1HG1 VAL 71 -4.325 0.572 -25.293 912 1HG2 VAL 71 3HG2 VAL 71 -7.153 -1.894 -26.190 913 2HG2 VAL 71 2HG2 VAL 71 -8.030 -1.089 -24.889 914 3HG2 VAL 71 1HG2 VAL 71 -7.385 -0.146 -26.232 915 H SER 72 H SER 72 -4.345 -0.110 -23.136 916 HA SER 72 HA SER 72 -1.982 -1.617 -22.136 917 1HB SER 72 2HB SER 72 -1.649 -0.649 -24.480 918 2HB SER 72 1HB SER 72 -1.780 0.944 -23.738 919 HG SER 72 HG SER 72 0.305 -0.772 -23.786 920 H THR 73 H THR 73 -1.658 -0.983 -20.025 921 HA THR 73 HA THR 73 -3.123 1.170 -18.803 922 HB THR 73 HB THR 73 -2.252 -0.879 -17.681 923 HG1 THR 73 HG1 THR 73 -2.344 0.306 -15.972 924 1HG2 THR 73 2HG2 THR 73 -0.045 -0.808 -18.941 925 2HG2 THR 73 1HG2 THR 73 0.454 0.471 -17.833 926 3HG2 THR 73 3HG2 THR 73 0.087 -1.140 -17.214 927 H LYS 74 H LYS 74 0.135 0.941 -20.187 928 HA LYS 74 HA LYS 74 1.267 3.349 -19.218 929 1HB LYS 74 2HB LYS 74 1.979 1.348 -20.917 930 2HB LYS 74 1HB LYS 74 1.669 2.642 -22.075 931 1HG LYS 74 2HG LYS 74 3.253 3.377 -19.669 932 2HG LYS 74 1HG LYS 74 4.052 2.338 -20.849 933 1HD LYS 74 2HD LYS 74 3.522 3.945 -22.639 934 2HD LYS 74 1HD LYS 74 2.707 4.984 -21.469 935 1HE LYS 74 2HE LYS 74 5.145 4.621 -20.256 936 2HE LYS 74 1HE LYS 74 5.594 4.650 -21.972 937 1HZ LYS 74 2HZ LYS 74 3.732 6.605 -20.741 938 2HZ LYS 74 1HZ LYS 74 5.397 6.894 -20.911 939 3HZ LYS 74 3HZ LYS 74 4.430 6.674 -22.287 940 H TYR 75 H TYR 75 -0.826 2.770 -22.039 941 HA TYR 75 HA TYR 75 -0.952 5.478 -22.968 942 1HB TYR 75 2HB TYR 75 -1.806 4.060 -24.553 943 2HB TYR 75 1HB TYR 75 -2.257 2.858 -23.354 944 HD1 TYR 75 HD2 TYR 75 -3.311 6.335 -24.385 945 HD2 TYR 75 HD1 TYR 75 -4.530 2.383 -23.144 946 HE1 TYR 75 HE2 TYR 75 -5.701 6.996 -24.627 947 HE2 TYR 75 HE1 TYR 75 -6.916 3.042 -23.388 948 HH TYR 75 HH TYR 75 -8.310 4.630 -24.290 949 H LEU 76 H LEU 76 -3.180 3.584 -20.902 950 HA LEU 76 HA LEU 76 -5.054 5.574 -20.246 951 1HB LEU 76 2HB LEU 76 -4.128 2.996 -19.317 952 2HB LEU 76 1HB LEU 76 -4.513 4.020 -17.938 953 HG LEU 76 HG LEU 76 -6.500 2.779 -18.663 954 1HD1 LEU 76 1HD1 LEU 76 -6.421 5.372 -17.995 955 2HD1 LEU 76 3HD1 LEU 76 -7.070 5.545 -19.626 956 3HD1 LEU 76 2HD1 LEU 76 -7.930 4.573 -18.434 957 1HD2 LEU 76 3HD2 LEU 76 -5.632 2.740 -21.106 958 2HD2 LEU 76 2HD2 LEU 76 -7.370 2.905 -20.856 959 3HD2 LEU 76 1HD2 LEU 76 -6.399 4.323 -21.253 960 H GLN 77 H GLN 77 -1.884 4.892 -18.769 961 HA GLN 77 HA GLN 77 -2.022 6.769 -16.624 962 1HB GLN 77 2HB GLN 77 -0.163 4.989 -17.886 963 2HB GLN 77 1HB GLN 77 0.637 6.544 -17.652 964 1HG GLN 77 2HG GLN 77 0.976 5.891 -15.516 965 2HG GLN 77 1HG GLN 77 -0.748 6.174 -15.275 966 1HE2 GLN 77 2HE2 GLN 77 -1.340 2.540 -16.067 967 2HE2 GLN 77 1HE2 GLN 77 -1.774 3.991 -16.836 968 H GLN 78 H GLN 78 -0.744 7.107 -19.949 969 HA GLN 78 HA GLN 78 0.119 9.825 -19.716 970 1HB GLN 78 2HB GLN 78 0.303 7.852 -21.546 971 2HB GLN 78 1HB GLN 78 -1.001 8.787 -22.279 972 1HG GLN 78 2HG GLN 78 0.342 10.738 -22.442 973 2HG GLN 78 1HG GLN 78 1.551 10.095 -21.331 974 1HE2 GLN 78 2HE2 GLN 78 1.449 8.342 -25.057 975 2HE2 GLN 78 1HE2 GLN 78 -0.014 8.728 -24.289 976 H LEU 79 H LEU 79 -3.037 8.393 -20.069 977 HA LEU 79 HA LEU 79 -4.386 10.757 -21.111 978 1HB LEU 79 2HB LEU 79 -4.962 8.185 -21.135 979 2HB LEU 79 1HB LEU 79 -5.687 8.534 -19.562 980 HG LEU 79 HG LEU 79 -6.905 10.464 -20.732 981 1HD1 LEU 79 3HD1 LEU 79 -5.400 10.364 -22.761 982 2HD1 LEU 79 2HD1 LEU 79 -6.194 8.849 -23.195 983 3HD1 LEU 79 1HD1 LEU 79 -7.125 10.347 -23.133 984 1HD2 LEU 79 3HD2 LEU 79 -7.591 7.845 -20.301 985 2HD2 LEU 79 2HD2 LEU 79 -8.703 9.078 -20.897 986 3HD2 LEU 79 1HD2 LEU 79 -7.886 8.003 -22.032 987 H GLN 80 H GLN 80 -4.148 9.191 -17.917 988 HA GLN 80 HA GLN 80 -5.781 11.061 -16.502 989 1HB GLN 80 2HB GLN 80 -4.062 8.773 -16.050 990 2HB GLN 80 1HB GLN 80 -3.844 9.969 -14.776 991 1HG GLN 80 2HG GLN 80 -5.857 9.482 -13.883 992 2HG GLN 80 1HG GLN 80 -6.651 9.678 -15.443 993 1HE2 GLN 80 2HE2 GLN 80 -5.783 6.113 -16.241 994 2HE2 GLN 80 1HE2 GLN 80 -5.358 7.611 -16.916 995 H LYS 81 H LYS 81 -2.245 10.911 -17.027 996 HA LYS 81 HA LYS 81 -1.621 13.227 -15.423 997 1HB LYS 81 2HB LYS 81 -0.193 11.257 -16.497 998 2HB LYS 81 1HB LYS 81 -0.027 12.400 -17.831 999 1HG LYS 81 2HG LYS 81 1.627 13.398 -16.672 1000 2HG LYS 81 1HG LYS 81 0.411 13.912 -15.500 1001 1HD LYS 81 2HD LYS 81 1.052 12.359 -13.971 1002 2HD LYS 81 1HD LYS 81 1.264 11.108 -15.197 1003 1HE LYS 81 2HE LYS 81 3.460 11.852 -15.737 1004 2HE LYS 81 1HE LYS 81 3.222 13.401 -14.902 1005 1HZ LYS 81 3HZ LYS 81 2.939 10.824 -13.481 1006 2HZ LYS 81 2HZ LYS 81 4.456 11.573 -13.641 1007 3HZ LYS 81 1HZ LYS 81 3.194 12.368 -12.827 1008 H ASP 82 H ASP 82 -2.294 12.780 -18.903 1009 HA ASP 82 HA ASP 82 -1.792 15.427 -19.786 1010 1HB ASP 82 2HB ASP 82 -2.394 13.294 -21.084 1011 2HB ASP 82 1HB ASP 82 -4.075 13.644 -20.678 1012 H LEU 83 H LEU 83 -4.662 13.983 -18.266 1013 HA LEU 83 HA LEU 83 -6.372 16.284 -18.430 1014 1HB LEU 83 2HB LEU 83 -7.139 13.999 -17.969 1015 2HB LEU 83 1HB LEU 83 -6.204 13.967 -16.474 1016 HG LEU 83 HG LEU 83 -8.101 16.232 -16.798 1017 1HD1 LEU 83 2HD1 LEU 83 -9.226 14.030 -17.610 1018 2HD1 LEU 83 1HD1 LEU 83 -9.152 13.550 -15.914 1019 3HD1 LEU 83 3HD1 LEU 83 -10.057 14.988 -16.384 1020 1HD2 LEU 83 3HD2 LEU 83 -6.888 14.554 -14.657 1021 2HD2 LEU 83 2HD2 LEU 83 -7.155 16.296 -14.702 1022 3HD2 LEU 83 1HD2 LEU 83 -8.494 15.207 -14.334 1023 H ASN 84 H ASN 84 -3.997 15.180 -16.018 1024 HA ASN 84 HA ASN 84 -4.568 17.189 -14.034 1025 1HB ASN 84 2HB ASN 84 -2.942 14.950 -14.400 1026 2HB ASN 84 1HB ASN 84 -1.802 16.278 -14.205 1027 1HD2 ASN 84 2HD2 ASN 84 -4.194 15.190 -11.061 1028 2HD2 ASN 84 1HD2 ASN 84 -4.537 14.617 -12.622 1029 H ASP 85 H ASP 85 -2.445 17.064 -16.864 1030 HA ASP 85 HA ASP 85 -0.998 19.499 -16.324 1031 1HB ASP 85 2HB ASP 85 -0.510 17.577 -17.968 1032 2HB ASP 85 1HB ASP 85 -1.691 18.337 -19.035 1033 H LYS 86 H LYS 86 -4.189 18.831 -17.527 1034 HA LYS 86 HA LYS 86 -4.581 21.486 -18.734 1035 1HB LYS 86 2HB LYS 86 -6.441 19.208 -17.965 1036 2HB LYS 86 1HB LYS 86 -6.941 20.630 -18.877 1037 1HG LYS 86 2HG LYS 86 -4.800 18.660 -19.731 1038 2HG LYS 86 1HG LYS 86 -6.432 18.749 -20.392 1039 1HD LYS 86 2HD LYS 86 -5.941 21.159 -21.009 1040 2HD LYS 86 1HD LYS 86 -4.259 20.850 -20.573 1041 1HE LYS 86 2HE LYS 86 -3.932 19.362 -22.357 1042 2HE LYS 86 1HE LYS 86 -5.666 19.015 -22.510 1043 1HZ LYS 86 1HZ LYS 86 -5.885 21.493 -22.992 1044 2HZ LYS 86 3HZ LYS 86 -4.212 21.476 -23.268 1045 3HZ LYS 86 2HZ LYS 86 -5.239 20.519 -24.225 1046 H THR 87 H THR 87 -4.946 19.889 -15.668 1047 HA THR 87 HA THR 87 -6.599 21.989 -14.446 1048 HB THR 87 HB THR 87 -5.180 19.455 -13.553 1049 HG1 THR 87 HG1 THR 87 -7.020 18.650 -14.091 1050 1HG2 THR 87 2HG2 THR 87 -6.218 21.673 -11.944 1051 2HG2 THR 87 1HG2 THR 87 -6.939 20.117 -11.532 1052 3HG2 THR 87 3HG2 THR 87 -5.189 20.322 -11.469 1053 H GLU 88 H GLU 88 -3.221 20.867 -14.441 1054 HA GLU 88 HA GLU 88 -2.223 22.721 -12.482 1055 1HB GLU 88 2HB GLU 88 -1.059 21.129 -14.776 1056 2HB GLU 88 1HB GLU 88 -0.044 22.162 -13.771 1057 1HG GLU 88 2HG GLU 88 -0.831 20.946 -11.756 1058 2HG GLU 88 1HG GLU 88 -1.787 19.883 -12.789 1059 H GLU 89 H GLU 89 -2.768 22.854 -15.962 1060 HA GLU 89 HA GLU 89 -1.436 25.398 -16.408 1061 1HB GLU 89 2HB GLU 89 -3.142 23.445 -17.826 1062 2HB GLU 89 1HB GLU 89 -3.334 25.109 -18.376 1063 1HG GLU 89 2HG GLU 89 -0.532 24.464 -17.969 1064 2HG GLU 89 1HG GLU 89 -1.282 23.340 -19.101 1065 H ASN 90 H ASN 90 -4.833 24.390 -15.990 1066 HA ASN 90 HA ASN 90 -6.094 26.925 -16.091 1067 1HB ASN 90 2HB ASN 90 -6.599 24.198 -15.201 1068 2HB ASN 90 1HB ASN 90 -7.369 25.357 -14.122 1069 1HD2 ASN 90 2HD2 ASN 90 -9.388 24.549 -17.331 1070 2HD2 ASN 90 1HD2 ASN 90 -8.426 23.505 -16.403 1071 H ASN 91 H ASN 91 -4.172 25.367 -13.626 1072 HA ASN 91 HA ASN 91 -4.882 27.159 -11.439 1073 1HB ASN 91 2HB ASN 91 -3.165 24.843 -12.036 1074 2HB ASN 91 1HB ASN 91 -2.456 25.948 -10.862 1075 1HD2 ASN 91 2HD2 ASN 91 -5.749 23.753 -9.860 1076 2HD2 ASN 91 1HD2 ASN 91 -5.171 23.759 -11.456 1077 H ARG 92 H ARG 92 -2.336 26.982 -13.899 1078 HA ARG 92 HA ARG 92 -0.671 29.077 -12.791 1079 1HB ARG 92 2HB ARG 92 0.014 27.295 -14.400 1080 2HB ARG 92 1HB ARG 92 -0.986 28.069 -15.629 1081 1HG ARG 92 2HG ARG 92 0.379 29.986 -15.715 1082 2HG ARG 92 1HG ARG 92 1.132 29.626 -14.162 1083 1HD ARG 92 2HD ARG 92 2.592 28.073 -15.072 1084 2HD ARG 92 1HD ARG 92 1.465 27.623 -16.367 1085 HE ARG 92 HE ARG 92 2.039 29.715 -17.516 1086 1HH1 ARG 92 1HH2 ARG 92 2.882 31.376 -15.201 1087 2HH1 ARG 92 2HH2 ARG 92 4.607 31.386 -15.352 1088 1HH2 ARG 92 2HH1 ARG 92 4.698 28.670 -17.507 1089 2HH2 ARG 92 1HH1 ARG 92 5.636 29.853 -16.658 1090 H LEU 93 H LEU 93 -2.806 29.078 -15.688 1091 HA LEU 93 HA LEU 93 -2.758 31.807 -16.302 1092 1HB LEU 93 2HB LEU 93 -4.888 29.666 -16.416 1093 2HB LEU 93 1HB LEU 93 -5.200 31.287 -17.039 1094 HG LEU 93 HG LEU 93 -2.631 30.287 -17.960 1095 1HD1 LEU 93 2HD1 LEU 93 -4.347 28.212 -17.655 1096 2HD1 LEU 93 1HD1 LEU 93 -4.847 28.785 -19.246 1097 3HD1 LEU 93 3HD1 LEU 93 -3.174 28.303 -18.969 1098 1HD2 LEU 93 3HD2 LEU 93 -5.117 31.544 -19.011 1099 2HD2 LEU 93 2HD2 LEU 93 -3.431 31.988 -19.283 1100 3HD2 LEU 93 1HD2 LEU 93 -4.145 30.642 -20.172 1101 H LYS 94 H LYS 94 -4.794 30.127 -13.918 1102 HA LYS 94 HA LYS 94 -6.397 32.296 -13.056 1103 1HB LYS 94 2HB LYS 94 -5.361 29.718 -11.952 1104 2HB LYS 94 1HB LYS 94 -6.098 30.844 -10.813 1105 1HG LYS 94 2HG LYS 94 -8.168 30.845 -12.001 1106 2HG LYS 94 1HG LYS 94 -7.448 30.042 -13.397 1107 1HD LYS 94 2HD LYS 94 -8.243 28.130 -12.472 1108 2HD LYS 94 1HD LYS 94 -6.884 28.279 -11.357 1109 1HE LYS 94 2HE LYS 94 -8.212 29.083 -9.627 1110 2HE LYS 94 1HE LYS 94 -9.407 29.784 -10.737 1111 1HZ LYS 94 1HZ LYS 94 -9.788 27.385 -11.470 1112 2HZ LYS 94 3HZ LYS 94 -8.995 26.940 -10.038 1113 3HZ LYS 94 2HZ LYS 94 -10.428 27.849 -9.966 1114 H ALA 95 H ALA 95 -3.080 31.349 -12.172 1115 HA ALA 95 HA ALA 95 -2.941 33.703 -10.333 1116 1HB ALA 95 1HB ALA 95 -2.311 31.359 -9.616 1117 2HB ALA 95 3HB ALA 95 -0.974 31.436 -10.763 1118 3HB ALA 95 2HB ALA 95 -1.028 32.549 -9.397 1119 H LEU 96 H LEU 96 -2.241 32.981 -13.540 1120 HA LEU 96 HA LEU 96 0.337 34.292 -13.797 1121 1HB LEU 96 2HB LEU 96 -1.294 32.689 -15.332 1122 2HB LEU 96 1HB LEU 96 -1.529 34.265 -16.090 1123 HG LEU 96 HG LEU 96 1.211 33.142 -15.469 1124 1HD1 LEU 96 3HD1 LEU 96 -0.260 31.770 -17.108 1125 2HD1 LEU 96 2HD1 LEU 96 -0.076 33.146 -18.196 1126 3HD1 LEU 96 1HD1 LEU 96 1.345 32.255 -17.651 1127 1HD2 LEU 96 1HD2 LEU 96 0.686 35.667 -15.899 1128 2HD2 LEU 96 3HD2 LEU 96 2.022 34.921 -16.775 1129 3HD2 LEU 96 2HD2 LEU 96 0.469 35.165 -17.575 1130 H LEU 97 H LEU 97 -3.052 35.251 -14.364 1131 HA LEU 97 HA LEU 97 -2.474 38.010 -13.629 1132 1HB LEU 97 2HB LEU 97 -3.031 38.843 -15.888 1133 2HB LEU 97 1HB LEU 97 -1.584 37.845 -15.904 1134 HG LEU 97 HG LEU 97 -3.603 36.002 -16.280 1135 1HD1 LEU 97 2HD1 LEU 97 -4.427 38.670 -17.308 1136 2HD1 LEU 97 1HD1 LEU 97 -4.656 37.303 -18.399 1137 3HD1 LEU 97 3HD1 LEU 97 -5.421 37.300 -16.810 1138 1HD2 LEU 97 2HD2 LEU 97 -1.422 37.198 -17.759 1139 2HD2 LEU 97 1HD2 LEU 97 -2.053 35.554 -17.857 1140 3HD2 LEU 97 3HD2 LEU 97 -2.761 36.831 -18.846 1141 H LEU 98 H LEU 98 -4.394 35.708 -13.057 1142 HA LEU 98 HA LEU 98 -6.956 37.083 -13.751 1143 1HB LEU 98 2HB LEU 98 -6.730 34.829 -14.625 1144 2HB LEU 98 1HB LEU 98 -6.230 34.224 -13.049 1145 HG LEU 98 HG LEU 98 -8.689 35.600 -12.700 1146 1HD1 LEU 98 3HD1 LEU 98 -8.854 35.111 -15.220 1147 2HD1 LEU 98 2HD1 LEU 98 -8.928 33.407 -14.769 1148 3HD1 LEU 98 1HD1 LEU 98 -10.180 34.520 -14.218 1149 1HD2 LEU 98 1HD2 LEU 98 -7.616 33.587 -11.490 1150 2HD2 LEU 98 3HD2 LEU 98 -9.364 33.547 -11.719 1151 3HD2 LEU 98 2HD2 LEU 98 -8.314 32.606 -12.778 1152 H GLU 99 H GLU 99 -4.899 35.943 -11.190 1153 HA GLU 99 HA GLU 99 -6.964 36.531 -9.127 1154 1HB GLU 99 2HB GLU 99 -5.650 34.385 -9.168 1155 2HB GLU 99 1HB GLU 99 -4.189 35.332 -8.881 1156 1HG GLU 99 2HG GLU 99 -5.959 36.250 -6.940 1157 2HG GLU 99 1HG GLU 99 -6.264 34.514 -6.994 1158 H ARG 100 HN ARG 100 -3.856 37.639 -10.363 1159 HA ARG 100 HA ARG 100 -3.439 39.536 -8.151 1160 1HB ARG 100 2HB ARG 100 -2.059 38.674 -10.671 1161 2HB ARG 100 1HB ARG 100 -1.589 40.209 -9.937 1162 1HG ARG 100 2HG ARG 100 -0.829 39.191 -7.973 1163 2HG ARG 100 1HG ARG 100 -1.803 37.743 -8.231 1164 1HD ARG 100 2HD ARG 100 -0.112 36.739 -9.357 1165 2HD ARG 100 1HD ARG 100 0.067 38.143 -10.429 1166 HE ARG 100 HE ARG 100 1.658 39.080 -8.894 1167 1HH1 ARG 100 1HH2 ARG 100 0.485 38.525 -6.283 1168 2HH1 ARG 100 2HH2 ARG 100 1.482 37.260 -5.647 1169 1HH2 ARG 100 1HH1 ARG 100 2.838 36.419 -8.727 1170 2HH2 ARG 100 2HH1 ARG 100 2.814 36.067 -7.031 No H/Q in entry = 1170 Start of MODEL 8 1 1H MET 30 2H MET 30 14.825 -24.834 -21.590 2 2H MET 30 1H MET 30 16.369 -24.628 -22.269 3 3H MET 30 3H MET 30 16.187 -24.705 -20.584 4 HA MET 30 HA MET 30 16.490 -22.418 -21.109 5 1HB MET 30 2HB MET 30 15.020 -21.434 -22.892 6 2HB MET 30 1HB MET 30 16.080 -22.706 -23.499 7 1HG MET 30 2HG MET 30 14.278 -24.328 -23.422 8 2HG MET 30 1HG MET 30 13.212 -23.163 -22.636 9 1HE MET 30 1HE MET 30 11.936 -24.352 -24.308 10 2HE MET 30 3HE MET 30 11.268 -23.290 -25.554 11 3HE MET 30 2HE MET 30 12.430 -24.542 -25.988 12 H SER 31 H SER 31 15.304 -23.437 -18.941 13 HA SER 31 HA SER 31 12.477 -22.597 -18.761 14 1HB SER 31 2HB SER 31 14.189 -24.473 -17.537 15 2HB SER 31 1HB SER 31 13.786 -23.314 -16.274 16 HG SER 31 HG SER 31 12.042 -24.521 -16.193 17 H VAL 32 H VAL 32 12.178 -21.469 -16.354 18 HA VAL 32 HA VAL 32 14.019 -19.099 -16.313 19 HB VAL 32 HB VAL 32 11.009 -19.193 -15.922 20 1HG1 VAL 32 3HG1 VAL 32 13.061 -16.977 -15.909 21 2HG1 VAL 32 2HG1 VAL 32 11.360 -16.657 -16.246 22 3HG1 VAL 32 1HG1 VAL 32 11.838 -17.343 -14.692 23 1HG2 VAL 32 3HG2 VAL 32 12.769 -18.511 -18.277 24 2HG2 VAL 32 2HG2 VAL 32 11.357 -19.566 -18.230 25 3HG2 VAL 32 1HG2 VAL 32 11.155 -17.817 -18.120 26 H ALA 33 H ALA 33 13.808 -17.905 -14.145 27 HA ALA 33 HA ALA 33 12.783 -19.366 -11.839 28 1HB ALA 33 1HB ALA 33 15.197 -20.224 -12.909 29 2HB ALA 33 3HB ALA 33 15.700 -19.152 -11.601 30 3HB ALA 33 2HB ALA 33 14.649 -20.527 -11.260 31 H CYS 34 H CYS 34 13.255 -18.166 -9.812 32 HA CYS 34 HA CYS 34 13.122 -15.322 -10.113 33 1HB CYS 34 2HB CYS 34 13.798 -17.131 -7.775 34 2HB CYS 34 1HB CYS 34 13.426 -15.415 -7.619 35 H LEU 35 H LEU 35 14.833 -14.074 -8.496 36 HA LEU 35 HA LEU 35 17.347 -14.071 -9.924 37 1HB LEU 35 2HB LEU 35 15.964 -12.617 -7.766 38 2HB LEU 35 1HB LEU 35 17.721 -12.615 -7.627 39 HG LEU 35 HG LEU 35 16.717 -12.117 -10.354 40 1HD1 LEU 35 1HD1 LEU 35 15.027 -10.940 -8.889 41 2HD1 LEU 35 3HD1 LEU 35 16.356 -9.988 -8.227 42 3HD1 LEU 35 2HD1 LEU 35 15.950 -9.865 -9.939 43 1HD2 LEU 35 3HD2 LEU 35 18.682 -10.727 -8.503 44 2HD2 LEU 35 2HD2 LEU 35 19.084 -11.916 -9.743 45 3HD2 LEU 35 1HD2 LEU 35 18.453 -10.336 -10.209 46 H SER 36 H SER 36 16.475 -14.926 -6.583 47 HA SER 36 HA SER 36 19.028 -15.886 -5.762 48 1HB SER 36 2HB SER 36 16.322 -15.755 -4.827 49 2HB SER 36 1HB SER 36 16.915 -17.390 -4.551 50 HG SER 36 HG SER 36 17.802 -16.463 -2.870 51 H CYS 37 H CYS 37 16.219 -17.642 -7.116 52 HA CYS 37 HA CYS 37 17.434 -20.233 -7.179 53 1HB CYS 37 2HB CYS 37 15.330 -18.988 -8.985 54 2HB CYS 37 1HB CYS 37 15.579 -20.713 -8.726 55 H ARG 38 H ARG 38 17.686 -17.429 -9.269 56 HA ARG 38 HA ARG 38 18.790 -18.814 -11.573 57 1HB ARG 38 2HB ARG 38 18.263 -16.063 -10.609 58 2HB ARG 38 1HB ARG 38 19.591 -16.206 -11.762 59 1HG ARG 38 2HG ARG 38 16.802 -17.319 -12.186 60 2HG ARG 38 1HG ARG 38 17.413 -15.825 -12.898 61 1HD ARG 38 2HD ARG 38 19.371 -17.374 -13.758 62 2HD ARG 38 1HD ARG 38 18.174 -18.663 -13.524 63 HE ARG 38 HE ARG 38 16.820 -16.571 -14.831 64 1HH1 ARG 38 2HH1 ARG 38 19.617 -16.405 -16.105 65 2HH1 ARG 38 1HH1 ARG 38 19.390 -17.403 -17.502 66 1HH2 ARG 38 1HH2 ARG 38 16.463 -18.842 -16.327 67 2HH2 ARG 38 2HH2 ARG 38 17.605 -18.783 -17.627 68 H LYS 39 H LYS 39 20.169 -17.038 -8.803 69 HA LYS 39 HA LYS 39 22.903 -17.093 -9.597 70 1HB LYS 39 2HB LYS 39 22.031 -15.735 -7.769 71 2HB LYS 39 1HB LYS 39 21.544 -17.181 -6.883 72 1HG LYS 39 2HG LYS 39 24.406 -16.971 -7.704 73 2HG LYS 39 1HG LYS 39 23.860 -15.946 -6.376 74 1HD LYS 39 2HD LYS 39 22.711 -18.305 -5.671 75 2HD LYS 39 1HD LYS 39 24.162 -18.890 -6.485 76 1HE LYS 39 2HE LYS 39 25.302 -16.954 -5.008 77 2HE LYS 39 1HE LYS 39 23.919 -17.321 -3.957 78 1HZ LYS 39 1HZ LYS 39 25.767 -19.337 -5.122 79 2HZ LYS 39 3HZ LYS 39 25.807 -18.800 -3.515 80 3HZ LYS 39 2HZ LYS 39 24.459 -19.660 -4.088 81 H ARG 40 H ARG 40 20.904 -19.497 -7.902 82 HA ARG 40 HA ARG 40 23.222 -21.376 -7.816 83 1HB ARG 40 2HB ARG 40 20.450 -21.446 -6.586 84 2HB ARG 40 1HB ARG 40 21.739 -22.604 -6.257 85 1HG ARG 40 2HG ARG 40 23.091 -20.373 -5.726 86 2HG ARG 40 1HG ARG 40 21.470 -19.762 -5.399 87 1HD ARG 40 2HD ARG 40 21.862 -20.655 -3.310 88 2HD ARG 40 1HD ARG 40 21.379 -22.171 -4.100 89 HE ARG 40 HE ARG 40 24.076 -21.902 -4.723 90 1HH1 ARG 40 2HH1 ARG 40 22.578 -23.850 -2.746 91 2HH1 ARG 40 1HH1 ARG 40 23.632 -23.721 -1.377 92 1HH2 ARG 40 1HH2 ARG 40 25.275 -20.911 -2.571 93 2HH2 ARG 40 2HH2 ARG 40 25.158 -22.057 -1.279 94 H HIS 41 H HIS 41 20.853 -20.569 -9.962 95 HA HIS 41 HA HIS 41 19.801 -21.705 -11.734 96 1HB HIS 41 2HB HIS 41 21.991 -23.702 -11.067 97 2HB HIS 41 1HB HIS 41 21.148 -23.559 -12.608 98 HD1 HIS 41 HD1 HIS 41 21.400 -21.065 -13.766 99 HD2 HIS 41 HD2 HIS 41 24.267 -22.135 -10.934 100 HE1 HIS 41 HE1 HIS 41 23.366 -19.507 -14.113 101 H ILE 42 H ILE 42 18.209 -21.991 -9.679 102 HA ILE 42 HA ILE 42 17.841 -24.889 -9.077 103 HB ILE 42 HB ILE 42 16.502 -22.423 -7.916 104 1HG1 ILE 42 2HG1 ILE 42 18.859 -23.989 -6.822 105 2HG1 ILE 42 1HG1 ILE 42 19.001 -22.440 -7.648 106 1HG2 ILE 42 3HG2 ILE 42 15.666 -24.970 -7.698 107 2HG2 ILE 42 2HG2 ILE 42 16.872 -24.968 -6.412 108 3HG2 ILE 42 1HG2 ILE 42 15.534 -23.820 -6.369 109 1HD1 ILE 42 1HD1 ILE 42 17.118 -21.778 -5.844 110 2HD1 ILE 42 3HD1 ILE 42 17.935 -23.050 -4.936 111 3HD1 ILE 42 2HD1 ILE 42 18.842 -21.646 -5.497 112 H LYS 43 H LYS 43 15.914 -25.933 -9.641 113 HA LYS 43 HA LYS 43 14.432 -24.896 -11.910 114 1HB LYS 43 2HB LYS 43 14.885 -27.347 -10.534 115 2HB LYS 43 1HB LYS 43 13.140 -27.092 -10.570 116 1HG LYS 43 2HG LYS 43 13.870 -26.365 -13.120 117 2HG LYS 43 1HG LYS 43 14.993 -27.682 -12.780 118 1HD LYS 43 2HD LYS 43 12.130 -28.076 -12.025 119 2HD LYS 43 1HD LYS 43 12.545 -28.156 -13.738 120 1HE LYS 43 2HE LYS 43 14.462 -29.753 -12.975 121 2HE LYS 43 1HE LYS 43 13.505 -29.920 -11.489 122 1HZ LYS 43 2HZ LYS 43 12.265 -30.135 -14.165 123 2HZ LYS 43 1HZ LYS 43 12.948 -31.489 -13.400 124 3HZ LYS 43 3HZ LYS 43 11.654 -30.669 -12.673 125 H CYS 44 H CYS 44 13.521 -22.890 -11.029 126 HA CYS 44 HA CYS 44 11.995 -22.582 -8.701 127 1HB CYS 44 2HB CYS 44 12.748 -21.005 -10.702 128 2HB CYS 44 1HB CYS 44 11.113 -21.327 -11.276 129 HA PRO 45 HA PRO 45 8.522 -25.303 -9.457 130 1HB PRO 45 2HB PRO 45 6.824 -23.741 -7.741 131 2HB PRO 45 1HB PRO 45 7.633 -25.266 -7.372 132 1HG PRO 45 2HG PRO 45 8.256 -22.668 -6.348 133 2HG PRO 45 1HG PRO 45 9.094 -24.187 -6.023 134 1HD PRO 45 2HD PRO 45 9.998 -21.955 -7.634 135 2HD PRO 45 1HD PRO 45 10.870 -23.459 -7.247 136 H GLY 46 H GLY 46 8.075 -21.772 -9.460 137 1HA GLY 46 2HA GLY 46 7.230 -20.690 -11.513 138 2HA GLY 46 1HA GLY 46 6.204 -22.102 -11.766 139 H GLY 47 H GLY 47 6.658 -19.233 -9.758 140 1HA GLY 47 2HA GLY 47 3.812 -18.854 -9.477 141 2HA GLY 47 1HA GLY 47 4.507 -19.477 -7.980 142 H ASN 48 H ASN 48 3.421 -17.009 -7.797 143 HA ASN 48 HA ASN 48 5.821 -15.287 -7.441 144 1HB ASN 48 2HB ASN 48 3.644 -14.977 -9.391 145 2HB ASN 48 1HB ASN 48 3.951 -13.527 -8.432 146 1HD2 ASN 48 2HD2 ASN 48 7.445 -13.380 -9.561 147 2HD2 ASN 48 1HD2 ASN 48 6.588 -13.321 -8.094 148 HA PRO 49 HA PRO 49 6.738 -14.818 -5.747 149 1HB PRO 49 2HB PRO 49 6.713 -16.009 -3.138 150 2HB PRO 49 1HB PRO 49 7.269 -14.397 -3.580 151 1HG PRO 49 2HG PRO 49 4.946 -15.076 -2.079 152 2HG PRO 49 1HG PRO 49 5.452 -13.472 -2.608 153 1HD PRO 49 2HD PRO 49 3.261 -15.102 -3.621 154 2HD PRO 49 1HD PRO 49 3.681 -13.425 -4.045 155 H CYS 50 H CYS 50 7.993 -16.736 -6.126 156 HA CYS 50 HA CYS 50 6.577 -19.129 -6.837 157 1HB CYS 50 2HB CYS 50 8.861 -19.978 -7.220 158 2HB CYS 50 1HB CYS 50 8.721 -18.326 -7.811 159 H GLN 51 H GLN 51 8.768 -20.863 -5.483 160 HA GLN 51 HA GLN 51 7.638 -20.841 -2.710 161 1HB GLN 51 2HB GLN 51 6.484 -22.453 -4.247 162 2HB GLN 51 1HB GLN 51 8.031 -23.261 -4.493 163 1HG GLN 51 2HG GLN 51 6.949 -24.497 -2.769 164 2HG GLN 51 1HG GLN 51 8.146 -23.497 -1.946 165 1HE2 GLN 51 2HE2 GLN 51 5.739 -21.605 -0.177 166 2HE2 GLN 51 1HE2 GLN 51 7.385 -21.834 -0.527 167 H LYS 52 H LYS 52 10.210 -22.049 -4.869 168 HA LYS 52 HA LYS 52 11.927 -23.210 -2.952 169 1HB LYS 52 2HB LYS 52 12.137 -21.953 -5.640 170 2HB LYS 52 1HB LYS 52 13.651 -22.178 -4.759 171 1HG LYS 52 2HG LYS 52 11.643 -24.415 -5.032 172 2HG LYS 52 1HG LYS 52 12.868 -24.121 -6.266 173 1HD LYS 52 2HD LYS 52 14.372 -25.233 -5.019 174 2HD LYS 52 1HD LYS 52 14.178 -24.033 -3.741 175 1HE LYS 52 2HE LYS 52 11.900 -25.572 -3.443 176 2HE LYS 52 1HE LYS 52 13.130 -26.774 -3.882 177 1HZ LYS 52 1HZ LYS 52 13.522 -24.651 -1.842 178 2HZ LYS 52 3HZ LYS 52 13.092 -26.249 -1.473 179 3HZ LYS 52 2HZ LYS 52 14.588 -25.921 -2.209 180 H CYS 53 H CYS 53 11.335 -19.826 -3.658 181 HA CYS 53 HA CYS 53 13.623 -18.960 -1.973 182 1HB CYS 53 2HB CYS 53 11.681 -17.830 -3.915 183 2HB CYS 53 1HB CYS 53 12.428 -16.723 -2.772 184 H VAL 54 H VAL 54 10.074 -18.847 -2.109 185 HA VAL 54 HA VAL 54 9.689 -17.270 0.250 186 HB VAL 54 HB VAL 54 7.822 -19.468 -0.677 187 1HG1 VAL 54 3HG1 VAL 54 7.651 -17.428 1.227 188 2HG1 VAL 54 2HG1 VAL 54 6.721 -16.822 -0.147 189 3HG1 VAL 54 1HG1 VAL 54 6.307 -18.374 0.586 190 1HG2 VAL 54 2HG2 VAL 54 8.404 -16.828 -2.035 191 2HG2 VAL 54 1HG2 VAL 54 8.364 -18.434 -2.763 192 3HG2 VAL 54 3HG2 VAL 54 6.869 -17.669 -2.234 193 H THR 55 H THR 55 10.247 -20.656 -0.368 194 HA THR 55 HA THR 55 9.673 -21.590 2.316 195 HB THR 55 HB THR 55 9.546 -22.899 0.190 196 HG1 THR 55 HG1 THR 55 10.453 -24.745 1.086 197 1HG2 THR 55 2HG2 THR 55 11.726 -21.812 -0.643 198 2HG2 THR 55 1HG2 THR 55 12.546 -23.063 0.287 199 3HG2 THR 55 3HG2 THR 55 11.459 -23.509 -1.030 200 H SER 56 H SER 56 12.579 -20.599 0.534 201 HA SER 56 HA SER 56 14.361 -21.359 2.749 202 1HB SER 56 2HB SER 56 14.517 -20.393 -0.042 203 2HB SER 56 1HB SER 56 15.813 -19.819 1.003 204 HG SER 56 HG SER 56 15.744 -22.098 -0.153 205 H ASN 57 H ASN 57 14.482 -18.264 1.059 206 HA ASN 57 HA ASN 57 13.334 -16.554 2.948 207 1HB ASN 57 2HB ASN 57 15.506 -15.810 4.104 208 2HB ASN 57 1HB ASN 57 14.833 -17.346 4.619 209 1HD2 ASN 57 2HD2 ASN 57 17.600 -19.235 3.484 210 2HD2 ASN 57 1HD2 ASN 57 16.070 -19.261 4.217 211 H ALA 58 H ALA 58 13.811 -16.689 0.154 212 HA ALA 58 HA ALA 58 15.466 -14.215 -0.265 213 1HB ALA 58 3HB ALA 58 15.069 -16.685 -1.977 214 2HB ALA 58 2HB ALA 58 15.912 -15.238 -2.530 215 3HB ALA 58 1HB ALA 58 16.558 -16.174 -1.182 216 H ILE 59 H ILE 59 14.697 -12.804 -1.994 217 HA ILE 59 HA ILE 59 11.805 -12.580 -2.105 218 HB ILE 59 HB ILE 59 14.008 -11.133 -3.610 219 1HG1 ILE 59 2HG1 ILE 59 14.309 -11.069 -1.149 220 2HG1 ILE 59 1HG1 ILE 59 13.876 -9.481 -1.788 221 1HG2 ILE 59 2HG2 ILE 59 11.079 -10.852 -3.443 222 2HG2 ILE 59 1HG2 ILE 59 11.966 -9.354 -3.161 223 3HG2 ILE 59 3HG2 ILE 59 12.199 -10.247 -4.664 224 1HD1 ILE 59 2HD1 ILE 59 11.466 -10.023 -1.235 225 2HD1 ILE 59 1HD1 ILE 59 12.052 -11.458 -0.395 226 3HD1 ILE 59 3HD1 ILE 59 12.519 -9.854 0.169 227 H CYS 60 H CYS 60 10.516 -12.968 -3.896 228 HA CYS 60 HA CYS 60 11.740 -14.627 -6.059 229 1HB CYS 60 2HB CYS 60 8.815 -14.421 -5.293 230 2HB CYS 60 1HB CYS 60 9.617 -15.716 -6.169 231 H GLU 61 H GLU 61 12.178 -13.226 -7.761 232 HA GLU 61 HA GLU 61 9.894 -11.572 -8.764 233 1HB GLU 61 2HB GLU 61 12.488 -10.761 -7.688 234 2HB GLU 61 1HB GLU 61 12.210 -10.121 -9.307 235 1HG GLU 61 2HG GLU 61 9.766 -9.824 -7.920 236 2HG GLU 61 1HG GLU 61 11.026 -9.289 -6.809 237 H TYR 62 H TYR 62 9.964 -11.217 -11.060 238 HA TYR 62 HA TYR 62 11.918 -12.949 -12.540 239 1HB TYR 62 2HB TYR 62 8.960 -12.428 -12.983 240 2HB TYR 62 1HB TYR 62 9.979 -13.333 -14.103 241 HD1 TYR 62 HD1 TYR 62 11.733 -14.867 -12.296 242 HD2 TYR 62 HD2 TYR 62 7.509 -14.016 -11.997 243 HE1 TYR 62 HE1 TYR 62 11.415 -16.923 -10.926 244 HE2 TYR 62 HE2 TYR 62 7.193 -16.075 -10.630 245 HH TYR 62 HH TYR 62 9.144 -18.534 -10.517 246 H LEU 63 H LEU 63 11.248 -12.177 -15.113 247 HA LEU 63 HA LEU 63 11.625 -9.202 -15.127 248 1HB LEU 63 2HB LEU 63 13.390 -11.377 -15.933 249 2HB LEU 63 1HB LEU 63 13.076 -10.274 -17.274 250 HG LEU 63 HG LEU 63 13.498 -8.735 -14.886 251 1HD1 LEU 63 3HD1 LEU 63 15.281 -11.078 -15.283 252 2HD1 LEU 63 2HD1 LEU 63 16.081 -9.537 -14.966 253 3HD1 LEU 63 1HD1 LEU 63 14.914 -10.180 -13.810 254 1HD2 LEU 63 2HD2 LEU 63 15.088 -9.119 -17.442 255 2HD2 LEU 63 1HD2 LEU 63 13.842 -7.904 -17.155 256 3HD2 LEU 63 3HD2 LEU 63 15.370 -7.825 -16.278 257 H GLU 64 H GLU 64 9.128 -9.822 -15.572 258 HA GLU 64 HA GLU 64 8.719 -9.391 -18.445 259 1HB GLU 64 2HB GLU 64 9.052 -11.948 -17.799 260 2HB GLU 64 1HB GLU 64 7.366 -11.811 -17.301 261 1HG GLU 64 2HG GLU 64 7.879 -10.571 -19.904 262 2HG GLU 64 1HG GLU 64 8.244 -12.298 -19.886 263 HA PRO 65 HA PRO 65 5.591 -7.656 -15.376 264 1HB PRO 65 2HB PRO 65 5.696 -5.226 -16.914 265 2HB PRO 65 1HB PRO 65 6.240 -5.489 -15.255 266 1HG PRO 65 2HG PRO 65 7.856 -5.084 -17.588 267 2HG PRO 65 1HG PRO 65 8.394 -5.365 -15.930 268 1HD PRO 65 2HD PRO 65 8.550 -7.197 -18.166 269 2HD PRO 65 1HD PRO 65 9.087 -7.465 -16.489 270 H SER 66 H SER 66 3.535 -6.243 -16.289 271 HA SER 66 HA SER 66 2.693 -7.537 -18.864 272 1HB SER 66 2HB SER 66 0.381 -7.387 -17.592 273 2HB SER 66 1HB SER 66 1.500 -8.697 -17.227 274 HG SER 66 HG SER 66 1.020 -7.844 -15.282 275 H LYS 67 H LYS 67 2.079 -6.044 -20.376 276 HA LYS 67 HA LYS 67 1.333 -3.298 -19.426 277 1HB LYS 67 2HB LYS 67 3.048 -4.412 -21.556 278 2HB LYS 67 1HB LYS 67 2.012 -3.084 -22.081 279 1HG LYS 67 2HG LYS 67 3.296 -1.581 -21.008 280 2HG LYS 67 1HG LYS 67 3.166 -2.485 -19.499 281 1HD LYS 67 2HD LYS 67 4.904 -4.094 -20.606 282 2HD LYS 67 1HD LYS 67 5.236 -2.725 -21.667 283 1HE LYS 67 2HE LYS 67 5.226 -2.455 -18.647 284 2HE LYS 67 1HE LYS 67 6.692 -2.845 -19.569 285 1HZ LYS 67 1HZ LYS 67 6.219 -0.899 -20.983 286 2HZ LYS 67 3HZ LYS 67 4.926 -0.488 -19.965 287 3HZ LYS 67 2HZ LYS 67 6.515 -0.469 -19.367 288 H LYS 68 H LYS 68 -0.941 -3.803 -19.258 289 HA LYS 68 HA LYS 68 -2.445 -3.506 -21.714 290 1HB LYS 68 2HB LYS 68 -3.467 -5.795 -21.628 291 2HB LYS 68 1HB LYS 68 -1.737 -5.833 -21.975 292 1HG LYS 68 2HG LYS 68 -1.459 -7.184 -20.198 293 2HG LYS 68 1HG LYS 68 -1.971 -5.853 -19.159 294 1HD LYS 68 2HD LYS 68 -3.405 -7.767 -18.725 295 2HD LYS 68 1HD LYS 68 -4.352 -6.532 -19.557 296 1HE LYS 68 2HE LYS 68 -4.509 -7.770 -21.505 297 2HE LYS 68 1HE LYS 68 -2.945 -8.568 -21.244 298 1HZ LYS 68 2HZ LYS 68 -3.970 -9.670 -19.281 299 2HZ LYS 68 1HZ LYS 68 -5.478 -9.060 -19.773 300 3HZ LYS 68 3HZ LYS 68 -4.642 -10.153 -20.765 301 H ILE 69 H ILE 69 -3.909 -2.083 -20.786 302 HA ILE 69 HA ILE 69 -4.820 -2.348 -18.038 303 HB ILE 69 HB ILE 69 -4.531 -0.237 -19.438 304 1HG1 ILE 69 2HG1 ILE 69 -6.516 0.859 -18.436 305 2HG1 ILE 69 1HG1 ILE 69 -7.205 -0.729 -18.101 306 1HG2 ILE 69 1HG2 ILE 69 -7.116 -1.247 -20.647 307 2HG2 ILE 69 3HG2 ILE 69 -6.533 0.410 -20.799 308 3HG2 ILE 69 2HG2 ILE 69 -5.606 -0.917 -21.493 309 1HD1 ILE 69 3HD1 ILE 69 -4.440 -0.383 -17.139 310 2HD1 ILE 69 2HD1 ILE 69 -5.616 0.671 -16.355 311 3HD1 ILE 69 1HD1 ILE 69 -5.838 -1.079 -16.319 312 H VAL 70 H VAL 70 -6.924 -2.986 -17.340 313 HA VAL 70 HA VAL 70 -8.824 -4.056 -19.340 314 HB VAL 70 HB VAL 70 -7.890 -5.821 -17.069 315 1HG1 VAL 70 1HG1 VAL 70 -10.055 -6.178 -18.383 316 2HG1 VAL 70 3HG1 VAL 70 -9.031 -6.536 -19.774 317 3HG1 VAL 70 2HG1 VAL 70 -8.946 -7.549 -18.331 318 1HG2 VAL 70 3HG2 VAL 70 -6.758 -5.673 -19.885 319 2HG2 VAL 70 2HG2 VAL 70 -5.876 -5.390 -18.384 320 3HG2 VAL 70 1HG2 VAL 70 -6.468 -7.006 -18.768 321 H VAL 71 H VAL 71 -10.445 -2.658 -18.603 322 HA VAL 71 HA VAL 71 -11.551 -3.244 -15.929 323 HB VAL 71 HB VAL 71 -10.522 -0.528 -16.807 324 1HG1 VAL 71 1HG1 VAL 71 -12.290 -1.365 -14.504 325 2HG1 VAL 71 3HG1 VAL 71 -11.300 0.093 -14.428 326 3HG1 VAL 71 2HG1 VAL 71 -12.548 -0.062 -15.664 327 1HG2 VAL 71 3HG2 VAL 71 -9.744 -2.513 -14.661 328 2HG2 VAL 71 2HG2 VAL 71 -8.727 -1.823 -15.926 329 3HG2 VAL 71 1HG2 VAL 71 -9.266 -0.817 -14.581 330 H SER 72 H SER 72 -12.196 -0.270 -17.727 331 HA SER 72 HA SER 72 -14.642 -1.420 -18.950 332 1HB SER 72 2HB SER 72 -15.236 -0.855 -16.633 333 2HB SER 72 1HB SER 72 -14.586 0.769 -16.848 334 HG SER 72 HG SER 72 -17.021 -0.074 -17.365 335 H THR 73 H THR 73 -14.758 -0.522 -20.978 336 HA THR 73 HA THR 73 -13.109 1.624 -21.890 337 HB THR 73 HB THR 73 -14.173 -0.126 -23.292 338 HG1 THR 73 HG1 THR 73 -14.829 1.296 -24.942 339 1HG2 THR 73 3HG2 THR 73 -16.346 -0.066 -21.989 340 2HG2 THR 73 2HG2 THR 73 -16.745 1.408 -22.872 341 3HG2 THR 73 1HG2 THR 73 -16.529 -0.111 -23.743 342 H LYS 74 H LYS 74 -16.497 1.581 -20.756 343 HA LYS 74 HA LYS 74 -17.224 4.252 -21.326 344 1HB LYS 74 2HB LYS 74 -18.508 2.226 -20.303 345 2HB LYS 74 1HB LYS 74 -17.916 2.837 -18.760 346 1HG LYS 74 2HG LYS 74 -18.855 5.129 -19.968 347 2HG LYS 74 1HG LYS 74 -20.014 3.914 -20.509 348 1HD LYS 74 2HD LYS 74 -19.406 3.524 -17.709 349 2HD LYS 74 1HD LYS 74 -19.937 5.183 -17.990 350 1HE LYS 74 2HE LYS 74 -22.076 4.475 -18.196 351 2HE LYS 74 1HE LYS 74 -21.604 3.390 -19.518 352 1HZ LYS 74 2HZ LYS 74 -21.185 2.805 -16.635 353 2HZ LYS 74 1HZ LYS 74 -22.474 2.190 -17.555 354 3HZ LYS 74 3HZ LYS 74 -20.879 1.760 -17.938 355 H TYR 75 H TYR 75 -15.583 2.918 -18.454 356 HA TYR 75 HA TYR 75 -15.268 5.315 -16.974 357 1HB TYR 75 2HB TYR 75 -14.682 3.428 -15.779 358 2HB TYR 75 1HB TYR 75 -14.046 2.609 -17.198 359 HD1 TYR 75 HD2 TYR 75 -13.243 5.609 -15.050 360 HD2 TYR 75 HD1 TYR 75 -11.743 2.235 -17.289 361 HE1 TYR 75 HE2 TYR 75 -10.923 6.158 -14.325 362 HE2 TYR 75 HE1 TYR 75 -9.427 2.783 -16.564 363 HH TYR 75 HH TYR 75 -8.350 4.022 -14.606 364 H LEU 76 H LEU 76 -13.067 3.799 -19.355 365 HA LEU 76 HA LEU 76 -10.983 5.668 -19.379 366 1HB LEU 76 2HB LEU 76 -12.104 3.577 -21.038 367 2HB LEU 76 1HB LEU 76 -11.490 4.885 -22.045 368 HG LEU 76 HG LEU 76 -9.709 3.264 -21.605 369 1HD1 LEU 76 3HD1 LEU 76 -9.382 5.866 -21.564 370 2HD1 LEU 76 2HD1 LEU 76 -9.064 5.616 -19.848 371 3HD1 LEU 76 1HD1 LEU 76 -8.054 4.824 -21.057 372 1HD2 LEU 76 1HD2 LEU 76 -10.717 2.499 -19.411 373 2HD2 LEU 76 3HD2 LEU 76 -8.973 2.759 -19.361 374 3HD2 LEU 76 2HD2 LEU 76 -10.064 3.964 -18.676 375 H GLN 77 H GLN 77 -14.061 5.785 -21.201 376 HA GLN 77 HA GLN 77 -13.520 8.209 -22.624 377 1HB GLN 77 2HB GLN 77 -15.631 6.318 -22.218 378 2HB GLN 77 1HB GLN 77 -16.302 7.937 -22.005 379 1HG GLN 77 2HG GLN 77 -14.457 7.476 -24.312 380 2HG GLN 77 1HG GLN 77 -16.101 6.845 -24.426 381 1HE2 GLN 77 2HE2 GLN 77 -15.473 10.785 -24.931 382 2HE2 GLN 77 1HE2 GLN 77 -14.205 9.661 -24.832 383 H GLN 78 H GLN 78 -15.135 7.608 -19.487 384 HA GLN 78 HA GLN 78 -15.849 10.308 -18.909 385 1HB GLN 78 2HB GLN 78 -16.612 8.255 -17.714 386 2HB GLN 78 1HB GLN 78 -14.989 8.065 -17.047 387 1HG GLN 78 2HG GLN 78 -15.198 9.904 -15.647 388 2HG GLN 78 1HG GLN 78 -16.390 10.687 -16.683 389 1HE2 GLN 78 2HE2 GLN 78 -19.093 9.371 -14.865 390 2HE2 GLN 78 1HE2 GLN 78 -18.511 10.551 -15.936 391 H LEU 79 H LEU 79 -12.800 8.605 -18.775 392 HA LEU 79 HA LEU 79 -11.417 10.564 -17.103 393 1HB LEU 79 2HB LEU 79 -10.941 8.060 -17.458 394 2HB LEU 79 1HB LEU 79 -10.251 8.529 -19.014 395 HG LEU 79 HG LEU 79 -8.800 10.183 -17.723 396 1HD1 LEU 79 3HD1 LEU 79 -10.398 9.067 -15.571 397 2HD1 LEU 79 2HD1 LEU 79 -8.678 8.829 -15.265 398 3HD1 LEU 79 1HD1 LEU 79 -9.309 10.453 -15.543 399 1HD2 LEU 79 1HD2 LEU 79 -8.352 7.615 -18.447 400 2HD2 LEU 79 3HD2 LEU 79 -7.137 8.607 -17.641 401 3HD2 LEU 79 2HD2 LEU 79 -8.116 7.476 -16.706 402 H GLN 80 H GLN 80 -11.662 9.833 -20.566 403 HA GLN 80 HA GLN 80 -9.740 11.795 -21.445 404 1HB GLN 80 2HB GLN 80 -11.551 9.793 -22.479 405 2HB GLN 80 1HB GLN 80 -11.661 11.258 -23.452 406 1HG GLN 80 2HG GLN 80 -9.595 10.949 -24.328 407 2HG GLN 80 1HG GLN 80 -8.902 10.572 -22.750 408 1HE2 GLN 80 2HE2 GLN 80 -10.088 7.043 -23.126 409 2HE2 GLN 80 1HE2 GLN 80 -10.400 8.295 -22.024 410 H LYS 81 H LYS 81 -13.338 11.787 -21.503 411 HA LYS 81 HA LYS 81 -13.691 14.444 -22.434 412 1HB LYS 81 2HB LYS 81 -15.422 12.640 -22.170 413 2HB LYS 81 1HB LYS 81 -15.364 12.895 -20.426 414 1HG LYS 81 2HG LYS 81 -16.141 15.169 -20.661 415 2HG LYS 81 1HG LYS 81 -16.001 15.087 -22.417 416 1HD LYS 81 2HD LYS 81 -18.001 14.051 -22.632 417 2HD LYS 81 1HD LYS 81 -17.657 12.940 -21.306 418 1HE LYS 81 2HE LYS 81 -17.983 15.410 -20.037 419 2HE LYS 81 1HE LYS 81 -19.253 15.381 -21.276 420 1HZ LYS 81 3HZ LYS 81 -18.660 13.053 -19.540 421 2HZ LYS 81 2HZ LYS 81 -19.811 14.230 -19.119 422 3HZ LYS 81 1HZ LYS 81 -20.019 13.300 -20.525 423 H ASP 82 H ASP 82 -13.231 13.208 -19.116 424 HA ASP 82 HA ASP 82 -13.629 15.641 -17.700 425 1HB ASP 82 2HB ASP 82 -13.248 13.249 -16.856 426 2HB ASP 82 1HB ASP 82 -11.527 13.535 -17.113 427 H LEU 83 H LEU 83 -10.751 14.317 -19.328 428 HA LEU 83 HA LEU 83 -8.917 16.398 -18.613 429 1HB LEU 83 2HB LEU 83 -8.298 14.203 -19.555 430 2HB LEU 83 1HB LEU 83 -9.112 14.615 -21.064 431 HG LEU 83 HG LEU 83 -7.093 16.562 -20.092 432 1HD1 LEU 83 1HD1 LEU 83 -6.192 14.146 -19.748 433 2HD1 LEU 83 3HD1 LEU 83 -6.156 14.073 -21.509 434 3HD1 LEU 83 2HD1 LEU 83 -5.200 15.284 -20.659 435 1HD2 LEU 83 3HD2 LEU 83 -8.545 16.072 -22.428 436 2HD2 LEU 83 2HD2 LEU 83 -7.193 17.193 -22.262 437 3HD2 LEU 83 1HD2 LEU 83 -6.909 15.545 -22.823 438 H ASN 84 H ASN 84 -11.236 16.035 -21.290 439 HA ASN 84 HA ASN 84 -10.439 18.416 -22.720 440 1HB ASN 84 2HB ASN 84 -12.153 16.249 -23.026 441 2HB ASN 84 1HB ASN 84 -13.253 17.619 -22.892 442 1HD2 ASN 84 2HD2 ASN 84 -12.556 18.746 -26.148 443 2HD2 ASN 84 1HD2 ASN 84 -13.583 18.783 -24.797 444 H ASP 85 H ASP 85 -12.699 17.735 -20.086 445 HA ASP 85 HA ASP 85 -14.034 20.288 -20.073 446 1HB ASP 85 2HB ASP 85 -14.310 17.885 -18.818 447 2HB ASP 85 1HB ASP 85 -13.580 18.832 -17.521 448 H LYS 86 H LYS 86 -10.883 19.251 -19.068 449 HA LYS 86 HA LYS 86 -10.429 21.504 -17.228 450 1HB LYS 86 2HB LYS 86 -8.602 19.459 -18.551 451 2HB LYS 86 1HB LYS 86 -8.111 20.566 -17.266 452 1HG LYS 86 2HG LYS 86 -10.373 18.568 -16.997 453 2HG LYS 86 1HG LYS 86 -8.727 18.273 -16.436 454 1HD LYS 86 2HD LYS 86 -8.905 20.375 -15.056 455 2HD LYS 86 1HD LYS 86 -10.612 20.450 -15.495 456 1HE LYS 86 2HE LYS 86 -10.919 18.156 -14.527 457 2HE LYS 86 1HE LYS 86 -9.233 18.211 -13.972 458 1HZ LYS 86 2HZ LYS 86 -9.787 20.381 -12.911 459 2HZ LYS 86 1HZ LYS 86 -11.423 20.087 -13.262 460 3HZ LYS 86 3HZ LYS 86 -10.583 19.050 -12.215 461 H THR 87 H THR 87 -9.997 20.648 -20.583 462 HA THR 87 HA THR 87 -8.313 22.929 -21.288 463 HB THR 87 HB THR 87 -9.889 20.774 -22.733 464 HG1 THR 87 HG1 THR 87 -8.076 19.810 -22.401 465 1HG2 THR 87 3HG2 THR 87 -8.914 23.303 -23.783 466 2HG2 THR 87 2HG2 THR 87 -8.141 21.930 -24.576 467 3HG2 THR 87 1HG2 THR 87 -9.899 22.070 -24.569 468 H GLU 88 H GLU 88 -11.747 21.998 -21.555 469 HA GLU 88 HA GLU 88 -12.689 24.360 -22.877 470 1HB GLU 88 2HB GLU 88 -14.002 22.310 -22.695 471 2HB GLU 88 1HB GLU 88 -13.957 22.397 -20.934 472 1HG GLU 88 2HG GLU 88 -15.835 23.633 -20.974 473 2HG GLU 88 1HG GLU 88 -14.961 24.888 -21.853 474 H GLU 89 H GLU 89 -12.055 23.523 -19.509 475 HA GLU 89 HA GLU 89 -13.199 25.917 -18.334 476 1HB GLU 89 2HB GLU 89 -11.585 23.564 -17.585 477 2HB GLU 89 1HB GLU 89 -11.222 25.006 -16.636 478 1HG GLU 89 2HG GLU 89 -13.640 25.269 -16.141 479 2HG GLU 89 1HG GLU 89 -13.971 23.791 -17.046 480 H ASN 90 H ASN 90 -9.862 24.899 -19.117 481 HA ASN 90 HA ASN 90 -8.473 27.263 -18.432 482 1HB ASN 90 2HB ASN 90 -8.132 24.841 -20.008 483 2HB ASN 90 1HB ASN 90 -7.337 26.205 -20.791 484 1HD2 ASN 90 2HD2 ASN 90 -5.349 24.507 -17.883 485 2HD2 ASN 90 1HD2 ASN 90 -6.446 23.762 -18.942 486 H ASN 91 H ASN 91 -10.534 26.492 -21.147 487 HA ASN 91 HA ASN 91 -9.790 28.743 -22.829 488 1HB ASN 91 2HB ASN 91 -11.677 26.483 -22.730 489 2HB ASN 91 1HB ASN 91 -12.334 27.905 -23.538 490 1HD2 ASN 91 2HD2 ASN 91 -9.213 25.870 -25.237 491 2HD2 ASN 91 1HD2 ASN 91 -9.662 25.550 -23.631 492 H ARG 92 H ARG 92 -12.257 28.107 -20.362 493 HA ARG 92 HA ARG 92 -13.630 30.663 -20.765 494 1HB ARG 92 2HB ARG 92 -14.359 28.293 -19.776 495 2HB ARG 92 1HB ARG 92 -13.820 29.033 -18.268 496 1HG ARG 92 2HG ARG 92 -15.268 31.053 -18.952 497 2HG ARG 92 1HG ARG 92 -16.006 29.963 -20.128 498 1HD ARG 92 2HD ARG 92 -16.319 28.350 -18.092 499 2HD ARG 92 1HD ARG 92 -16.089 29.816 -17.118 500 HE ARG 92 HE ARG 92 -17.902 30.768 -18.810 501 1HH1 ARG 92 1HH2 ARG 92 -19.163 28.787 -20.131 502 2HH1 ARG 92 2HH2 ARG 92 -20.213 27.977 -19.018 503 1HH2 ARG 92 2HH1 ARG 92 -18.619 29.217 -16.199 504 2HH2 ARG 92 1HH1 ARG 92 -19.905 28.220 -16.792 505 H LEU 93 H LEU 93 -11.602 29.273 -18.152 506 HA LEU 93 HA LEU 93 -11.381 31.506 -16.472 507 1HB LEU 93 2HB LEU 93 -10.047 29.006 -16.999 508 2HB LEU 93 1HB LEU 93 -8.837 30.244 -16.660 509 HG LEU 93 HG LEU 93 -11.278 29.941 -14.918 510 1HD1 LEU 93 1HD1 LEU 93 -8.642 28.455 -14.744 511 2HD1 LEU 93 3HD1 LEU 93 -9.777 28.588 -13.400 512 3HD1 LEU 93 2HD1 LEU 93 -10.255 27.753 -14.879 513 1HD2 LEU 93 3HD2 LEU 93 -9.465 31.904 -14.997 514 2HD2 LEU 93 2HD2 LEU 93 -10.147 31.342 -13.471 515 3HD2 LEU 93 1HD2 LEU 93 -8.561 30.772 -13.992 516 H LYS 94 H LYS 94 -9.923 30.917 -19.600 517 HA LYS 94 HA LYS 94 -7.969 33.082 -19.434 518 1HB LYS 94 2HB LYS 94 -7.646 31.096 -20.838 519 2HB LYS 94 1HB LYS 94 -9.130 31.457 -21.723 520 1HG LYS 94 2HG LYS 94 -8.105 33.660 -22.392 521 2HG LYS 94 1HG LYS 94 -6.591 33.110 -21.669 522 1HD LYS 94 2HD LYS 94 -6.468 31.237 -23.198 523 2HD LYS 94 1HD LYS 94 -8.074 31.594 -23.834 524 1HE LYS 94 2HE LYS 94 -7.308 33.302 -25.160 525 2HE LYS 94 1HE LYS 94 -6.116 33.830 -23.956 526 1HZ LYS 94 3HZ LYS 94 -5.877 31.241 -25.372 527 2HZ LYS 94 2HZ LYS 94 -5.210 32.669 -26.007 528 3HZ LYS 94 1HZ LYS 94 -4.683 32.077 -24.505 529 H ALA 95 H ALA 95 -11.243 32.633 -20.747 530 HA ALA 95 HA ALA 95 -11.281 35.417 -21.774 531 1HB ALA 95 2HB ALA 95 -12.943 32.935 -21.960 532 2HB ALA 95 1HB ALA 95 -13.737 34.480 -22.262 533 3HB ALA 95 3HB ALA 95 -12.361 33.987 -23.250 534 H LEU 96 H LEU 96 -11.989 33.798 -18.854 535 HA LEU 96 HA LEU 96 -14.199 35.582 -18.053 536 1HB LEU 96 2HB LEU 96 -13.985 33.136 -17.459 537 2HB LEU 96 1HB LEU 96 -12.585 33.555 -16.471 538 HG LEU 96 HG LEU 96 -14.418 35.374 -15.576 539 1HD1 LEU 96 3HD1 LEU 96 -16.198 34.346 -16.960 540 2HD1 LEU 96 2HD1 LEU 96 -15.913 32.799 -16.163 541 3HD1 LEU 96 1HD1 LEU 96 -16.536 34.165 -15.239 542 1HD2 LEU 96 1HD2 LEU 96 -13.519 32.662 -14.688 543 2HD2 LEU 96 3HD2 LEU 96 -13.276 34.231 -13.919 544 3HD2 LEU 96 2HD2 LEU 96 -14.839 33.421 -13.797 545 H LEU 97 H LEU 97 -10.720 35.283 -17.646 546 HA LEU 97 HA LEU 97 -10.689 37.422 -15.585 547 1HB LEU 97 2HB LEU 97 -8.489 35.734 -16.823 548 2HB LEU 97 1HB LEU 97 -8.327 36.756 -15.396 549 HG LEU 97 HG LEU 97 -10.172 34.364 -15.656 550 1HD1 LEU 97 1HD1 LEU 97 -7.463 34.809 -14.447 551 2HD1 LEU 97 3HD1 LEU 97 -8.569 33.679 -13.666 552 3HD1 LEU 97 2HD1 LEU 97 -8.072 33.413 -15.336 553 1HD2 LEU 97 2HD2 LEU 97 -9.730 36.438 -13.511 554 2HD2 LEU 97 1HD2 LEU 97 -11.253 35.841 -14.169 555 3HD2 LEU 97 3HD2 LEU 97 -10.298 34.821 -13.094 556 H LEU 98 H LEU 98 -9.588 36.768 -18.906 557 HA LEU 98 HA LEU 98 -8.233 39.314 -19.236 558 1HB LEU 98 2HB LEU 98 -9.413 37.366 -21.244 559 2HB LEU 98 1HB LEU 98 -8.204 38.600 -21.595 560 HG LEU 98 HG LEU 98 -7.833 36.345 -19.607 561 1HD1 LEU 98 1HD1 LEU 98 -7.944 35.899 -22.221 562 2HD1 LEU 98 3HD1 LEU 98 -6.317 36.580 -22.183 563 3HD1 LEU 98 2HD1 LEU 98 -6.693 35.140 -21.236 564 1HD2 LEU 98 2HD2 LEU 98 -6.303 38.762 -20.360 565 2HD2 LEU 98 1HD2 LEU 98 -6.254 37.819 -18.871 566 3HD2 LEU 98 3HD2 LEU 98 -5.354 37.278 -20.288 567 H GLU 99 H GLU 99 -11.523 38.242 -19.426 568 HA GLU 99 HA GLU 99 -12.411 40.615 -20.957 569 1HB GLU 99 2HB GLU 99 -13.253 38.195 -21.187 570 2HB GLU 99 1HB GLU 99 -14.082 38.457 -19.652 571 1HG GLU 99 2HG GLU 99 -14.914 40.665 -20.895 572 2HG GLU 99 1HG GLU 99 -14.615 39.678 -22.326 573 H ARG 100 HN ARG 100 -12.317 39.415 -17.656 574 HA ARG 100 HA ARG 100 -13.617 41.965 -16.755 575 1HB ARG 100 2HB ARG 100 -13.984 39.098 -15.861 576 2HB ARG 100 1HB ARG 100 -14.500 40.459 -14.866 577 1HG ARG 100 2HG ARG 100 -16.212 41.031 -16.287 578 2HG ARG 100 1HG ARG 100 -15.342 40.485 -17.722 579 1HD ARG 100 2HD ARG 100 -16.966 38.811 -17.543 580 2HD ARG 100 1HD ARG 100 -15.664 38.094 -16.572 581 HE ARG 100 HE ARG 100 -17.319 39.859 -14.979 582 1HH1 ARG 100 1HH2 ARG 100 -18.448 37.340 -16.782 583 2HH1 ARG 100 2HH2 ARG 100 -18.876 36.313 -15.454 584 1HH2 ARG 100 1HH1 ARG 100 -17.284 38.274 -13.078 585 2HH2 ARG 100 2HH1 ARG 100 -18.216 36.841 -13.358 586 1H MET 30 2H MET 30 -11.882 -9.542 -34.639 587 2H MET 30 1H MET 30 -11.794 -7.978 -35.298 588 3H MET 30 3H MET 30 -13.121 -8.974 -35.653 589 HA MET 30 HA MET 30 -11.710 -9.011 -37.561 590 1HB MET 30 2HB MET 30 -9.778 -8.833 -35.390 591 2HB MET 30 1HB MET 30 -9.305 -10.062 -36.564 592 1HG MET 30 2HG MET 30 -9.275 -8.511 -38.350 593 2HG MET 30 1HG MET 30 -10.212 -7.322 -37.444 594 1HE MET 30 2HE MET 30 -8.667 -5.427 -38.002 595 2HE MET 30 1HE MET 30 -9.259 -5.398 -36.343 596 3HE MET 30 3HE MET 30 -7.581 -4.964 -36.695 597 H SER 31 H SER 31 -13.144 -10.788 -37.965 598 HA SER 31 HA SER 31 -13.799 -13.056 -38.123 599 1HB SER 31 2HB SER 31 -11.989 -14.399 -38.928 600 2HB SER 31 1HB SER 31 -11.608 -12.746 -39.401 601 HG SER 31 HG SER 31 -10.479 -14.369 -37.411 602 H VAL 32 H VAL 32 -14.734 -13.257 -35.975 603 HA VAL 32 HA VAL 32 -13.006 -14.188 -33.767 604 HB VAL 32 HB VAL 32 -16.010 -13.804 -34.003 605 1HG1 VAL 32 2HG1 VAL 32 -14.140 -14.160 -31.645 606 2HG1 VAL 32 1HG1 VAL 32 -15.792 -13.564 -31.488 607 3HG1 VAL 32 3HG1 VAL 32 -15.495 -15.191 -32.102 608 1HG2 VAL 32 2HG2 VAL 32 -14.565 -11.766 -34.455 609 2HG2 VAL 32 1HG2 VAL 32 -15.658 -11.607 -33.079 610 3HG2 VAL 32 3HG2 VAL 32 -13.945 -11.932 -32.813 611 H ALA 33 H ALA 33 -13.829 -16.190 -32.537 612 HA ALA 33 HA ALA 33 -14.977 -18.255 -34.372 613 1HB ALA 33 1HB ALA 33 -12.263 -17.953 -33.518 614 2HB ALA 33 3HB ALA 33 -12.918 -19.394 -32.740 615 3HB ALA 33 2HB ALA 33 -12.952 -19.247 -34.497 616 H CYS 34 H CYS 34 -15.879 -20.106 -33.174 617 HA CYS 34 HA CYS 34 -17.325 -19.388 -30.812 618 1HB CYS 34 2HB CYS 34 -16.602 -22.111 -31.939 619 2HB CYS 34 1HB CYS 34 -17.942 -21.770 -30.848 620 H LEU 35 H LEU 35 -17.115 -21.080 -28.834 621 HA LEU 35 HA LEU 35 -14.630 -20.508 -27.511 622 1HB LEU 35 2HB LEU 35 -17.164 -21.946 -27.044 623 2HB LEU 35 1HB LEU 35 -15.798 -22.554 -26.114 624 HG LEU 35 HG LEU 35 -16.250 -19.595 -26.241 625 1HD1 LEU 35 1HD1 LEU 35 -18.456 -20.694 -25.693 626 2HD1 LEU 35 3HD1 LEU 35 -17.675 -21.430 -24.294 627 3HD1 LEU 35 2HD1 LEU 35 -17.818 -19.675 -24.402 628 1HD2 LEU 35 2HD2 LEU 35 -15.146 -21.567 -24.221 629 2HD2 LEU 35 1HD2 LEU 35 -14.248 -20.355 -25.133 630 3HD2 LEU 35 3HD2 LEU 35 -15.375 -19.854 -23.872 631 H SER 36 H SER 36 -15.957 -23.453 -28.971 632 HA SER 36 HA SER 36 -13.712 -25.156 -28.400 633 1HB SER 36 2HB SER 36 -16.221 -25.489 -29.326 634 2HB SER 36 1HB SER 36 -15.361 -25.519 -30.863 635 HG SER 36 HG SER 36 -15.526 -27.412 -28.965 636 H CYS 37 H CYS 37 -14.600 -23.183 -31.237 637 HA CYS 37 HA CYS 37 -12.339 -23.882 -32.862 638 1HB CYS 37 2HB CYS 37 -14.027 -21.357 -32.748 639 2HB CYS 37 1HB CYS 37 -13.048 -21.877 -34.119 640 H ARG 38 H ARG 38 -12.819 -21.581 -30.245 641 HA ARG 38 HA ARG 38 -10.391 -20.046 -30.750 642 1HB ARG 38 2HB ARG 38 -12.495 -19.299 -29.551 643 2HB ARG 38 1HB ARG 38 -12.031 -20.353 -28.215 644 1HG ARG 38 2HG ARG 38 -11.242 -18.117 -27.717 645 2HG ARG 38 1HG ARG 38 -9.843 -19.122 -28.094 646 1HD ARG 38 2HD ARG 38 -9.782 -18.237 -30.384 647 2HD ARG 38 1HD ARG 38 -11.237 -17.273 -30.064 648 HE ARG 38 HE ARG 38 -9.359 -16.688 -28.018 649 1HH1 ARG 38 1HH2 ARG 38 -10.725 -15.315 -30.674 650 2HH1 ARG 38 2HH2 ARG 38 -9.374 -14.326 -31.119 651 1HH2 ARG 38 2HH1 ARG 38 -7.187 -15.855 -28.905 652 2HH2 ARG 38 1HH1 ARG 38 -7.371 -14.633 -30.117 653 H LYS 39 H LYS 39 -11.316 -22.743 -28.619 654 HA LYS 39 HA LYS 39 -8.942 -22.911 -27.062 655 1HB LYS 39 2HB LYS 39 -10.987 -24.110 -26.537 656 2HB LYS 39 1HB LYS 39 -10.921 -24.981 -28.069 657 1HG LYS 39 2HG LYS 39 -8.499 -25.226 -26.391 658 2HG LYS 39 1HG LYS 39 -9.950 -25.972 -25.721 659 1HD LYS 39 2HD LYS 39 -10.246 -26.943 -28.137 660 2HD LYS 39 1HD LYS 39 -8.523 -26.593 -28.291 661 1HE LYS 39 2HE LYS 39 -8.530 -28.807 -27.459 662 2HE LYS 39 1HE LYS 39 -8.343 -27.848 -25.978 663 1HZ LYS 39 1HZ LYS 39 -10.830 -27.785 -25.881 664 2HZ LYS 39 3HZ LYS 39 -10.853 -28.954 -27.109 665 3HZ LYS 39 2HZ LYS 39 -10.148 -29.317 -25.607 666 H ARG 40 H ARG 40 -9.730 -24.202 -30.277 667 HA ARG 40 HA ARG 40 -6.962 -25.311 -30.507 668 1HB ARG 40 2HB ARG 40 -9.433 -25.683 -32.225 669 2HB ARG 40 1HB ARG 40 -7.938 -26.611 -32.343 670 1HG ARG 40 2HG ARG 40 -8.283 -27.414 -30.026 671 2HG ARG 40 1HG ARG 40 -9.800 -26.515 -29.960 672 1HD ARG 40 2HD ARG 40 -10.345 -27.869 -32.172 673 2HD ARG 40 1HD ARG 40 -9.145 -29.000 -31.511 674 HE ARG 40 HE ARG 40 -11.313 -28.028 -29.717 675 1HH1 ARG 40 2HH1 ARG 40 -9.118 -30.407 -29.832 676 2HH1 ARG 40 1HH1 ARG 40 -10.219 -31.744 -29.771 677 1HH2 ARG 40 1HH2 ARG 40 -13.028 -29.799 -30.363 678 2HH2 ARG 40 2HH2 ARG 40 -12.432 -31.399 -30.073 679 H HIS 41 H HIS 41 -8.476 -22.457 -31.117 680 HA HIS 41 HA HIS 41 -8.082 -20.685 -32.615 681 1HB HIS 41 2HB HIS 41 -5.624 -22.298 -32.309 682 2HB HIS 41 1HB HIS 41 -5.646 -21.255 -33.729 683 HD1 HIS 41 HD1 HIS 41 -7.341 -20.385 -30.469 684 HD2 HIS 41 HD2 HIS 41 -3.999 -19.226 -32.673 685 HE1 HIS 41 HE1 HIS 41 -6.429 -18.306 -29.347 686 H ILE 42 H ILE 42 -9.871 -22.227 -33.781 687 HA ILE 42 HA ILE 42 -8.826 -23.185 -36.403 688 HB ILE 42 HB ILE 42 -11.572 -23.410 -35.125 689 1HG1 ILE 42 2HG1 ILE 42 -9.841 -24.476 -33.725 690 2HG1 ILE 42 1HG1 ILE 42 -10.860 -25.695 -34.492 691 1HG2 ILE 42 2HG2 ILE 42 -10.286 -24.459 -37.607 692 2HG2 ILE 42 1HG2 ILE 42 -11.392 -25.528 -36.745 693 3HG2 ILE 42 3HG2 ILE 42 -11.955 -23.963 -37.331 694 1HD1 ILE 42 2HD1 ILE 42 -9.131 -25.867 -36.324 695 2HD1 ILE 42 1HD1 ILE 42 -8.091 -24.821 -35.357 696 3HD1 ILE 42 3HD1 ILE 42 -8.565 -26.404 -34.742 697 H LYS 43 H LYS 43 -10.332 -22.639 -38.304 698 HA LYS 43 HA LYS 43 -10.873 -19.724 -38.274 699 1HB LYS 43 2HB LYS 43 -10.053 -21.798 -40.160 700 2HB LYS 43 1HB LYS 43 -11.330 -20.777 -40.822 701 1HG LYS 43 2HG LYS 43 -10.020 -18.765 -40.263 702 2HG LYS 43 1HG LYS 43 -8.743 -19.779 -39.593 703 1HD LYS 43 2HD LYS 43 -9.271 -20.808 -42.167 704 2HD LYS 43 1HD LYS 43 -9.215 -19.054 -42.349 705 1HE LYS 43 2HE LYS 43 -7.079 -19.582 -40.643 706 2HE LYS 43 1HE LYS 43 -7.024 -20.916 -41.812 707 1HZ LYS 43 2HZ LYS 43 -7.472 -19.127 -43.543 708 2HZ LYS 43 1HZ LYS 43 -7.021 -18.006 -42.347 709 3HZ LYS 43 3HZ LYS 43 -5.910 -19.173 -42.876 710 H CYS 44 H CYS 44 -12.887 -19.927 -36.981 711 HA CYS 44 HA CYS 44 -15.119 -21.530 -37.668 712 1HB CYS 44 2HB CYS 44 -14.838 -20.261 -35.579 713 2HB CYS 44 1HB CYS 44 -14.951 -18.744 -36.472 714 HA PRO 45 HA PRO 45 -16.329 -19.684 -41.559 715 1HB PRO 45 2HB PRO 45 -19.077 -20.432 -41.161 716 2HB PRO 45 1HB PRO 45 -17.871 -21.223 -42.181 717 1HG PRO 45 2HG PRO 45 -18.985 -22.190 -39.732 718 2HG PRO 45 1HG PRO 45 -17.734 -22.946 -40.723 719 1HD PRO 45 2HD PRO 45 -17.437 -21.645 -38.148 720 2HD PRO 45 1HD PRO 45 -16.192 -22.477 -39.113 721 H GLY 46 H GLY 46 -18.402 -19.212 -38.692 722 1HA GLY 46 2HA GLY 46 -18.742 -16.896 -37.875 723 2HA GLY 46 1HA GLY 46 -18.777 -16.376 -39.559 724 H GLY 47 H GLY 47 -20.485 -18.721 -37.468 725 1HA GLY 47 2HA GLY 47 -23.057 -17.585 -38.396 726 2HA GLY 47 1HA GLY 47 -22.776 -19.295 -38.726 727 H ASN 48 H ASN 48 -24.898 -18.864 -37.168 728 HA ASN 48 HA ASN 48 -23.969 -19.786 -34.494 729 1HB ASN 48 2HB ASN 48 -25.253 -17.237 -35.202 730 2HB ASN 48 1HB ASN 48 -26.048 -18.090 -33.878 731 1HD2 ASN 48 2HD2 ASN 48 -22.949 -18.089 -31.889 732 2HD2 ASN 48 1HD2 ASN 48 -24.112 -19.219 -32.398 733 HA PRO 49 HA PRO 49 -23.953 -21.640 -33.880 734 1HB PRO 49 2HB PRO 49 -24.245 -24.213 -35.114 735 2HB PRO 49 1HB PRO 49 -24.416 -23.810 -33.407 736 1HG PRO 49 2HG PRO 49 -26.477 -24.580 -35.207 737 2HG PRO 49 1HG PRO 49 -26.659 -24.046 -33.535 738 1HD PRO 49 2HD PRO 49 -27.307 -22.600 -35.992 739 2HD PRO 49 1HD PRO 49 -27.688 -22.159 -34.309 740 H CYS 50 H CYS 50 -21.894 -21.897 -34.924 741 HA CYS 50 HA CYS 50 -21.663 -20.997 -37.642 742 1HB CYS 50 2HB CYS 50 -19.268 -21.467 -37.230 743 2HB CYS 50 1HB CYS 50 -19.995 -20.671 -35.837 744 H GLN 51 H GLN 51 -19.464 -23.195 -38.096 745 HA GLN 51 HA GLN 51 -21.291 -25.428 -38.879 746 1HB GLN 51 2HB GLN 51 -20.837 -23.657 -40.684 747 2HB GLN 51 1HB GLN 51 -19.175 -24.247 -40.688 748 1HG GLN 51 2HG GLN 51 -20.164 -25.548 -42.366 749 2HG GLN 51 1HG GLN 51 -20.282 -26.602 -40.956 750 1HE2 GLN 51 2HE2 GLN 51 -23.817 -26.504 -40.847 751 2HE2 GLN 51 1HE2 GLN 51 -22.391 -27.050 -40.105 752 H LYS 52 H LYS 52 -17.926 -24.314 -38.454 753 HA LYS 52 HA LYS 52 -16.608 -26.806 -38.769 754 1HB LYS 52 2HB LYS 52 -16.132 -24.172 -37.503 755 2HB LYS 52 1HB LYS 52 -15.134 -25.489 -36.882 756 1HG LYS 52 2HG LYS 52 -15.396 -25.412 -39.826 757 2HG LYS 52 1HG LYS 52 -14.529 -24.047 -39.121 758 1HD LYS 52 2HD LYS 52 -13.083 -25.650 -37.875 759 2HD LYS 52 1HD LYS 52 -13.908 -26.982 -38.684 760 1HE LYS 52 2HE LYS 52 -13.141 -25.189 -40.738 761 2HE LYS 52 1HE LYS 52 -11.732 -25.367 -39.675 762 1HZ LYS 52 1HZ LYS 52 -12.028 -27.762 -39.730 763 2HZ LYS 52 3HZ LYS 52 -13.374 -27.600 -40.749 764 3HZ LYS 52 2HZ LYS 52 -11.831 -27.162 -41.306 765 H CYS 53 H CYS 53 -18.532 -25.584 -36.121 766 HA CYS 53 HA CYS 53 -17.646 -27.794 -34.330 767 1HB CYS 53 2HB CYS 53 -19.119 -25.211 -34.153 768 2HB CYS 53 1HB CYS 53 -19.359 -26.398 -32.879 769 H VAL 54 H VAL 54 -20.514 -26.471 -35.957 770 HA VAL 54 HA VAL 54 -22.452 -28.292 -34.939 771 HB VAL 54 HB VAL 54 -22.410 -27.215 -37.774 772 1HG1 VAL 54 1HG1 VAL 54 -24.282 -28.650 -36.318 773 2HG1 VAL 54 3HG1 VAL 54 -24.836 -26.984 -36.143 774 3HG1 VAL 54 2HG1 VAL 54 -24.625 -27.681 -37.751 775 1HG2 VAL 54 2HG2 VAL 54 -22.782 -25.719 -35.180 776 2HG2 VAL 54 1HG2 VAL 54 -21.847 -25.248 -36.600 777 3HG2 VAL 54 3HG2 VAL 54 -23.608 -25.193 -36.647 778 H THR 55 H THR 55 -20.047 -28.478 -37.457 779 HA THR 55 HA THR 55 -20.915 -31.056 -38.509 780 HB THR 55 HB THR 55 -19.747 -29.235 -39.775 781 HG1 THR 55 HG1 THR 55 -18.362 -31.697 -39.568 782 1HG2 THR 55 1HG2 THR 55 -18.216 -28.762 -37.748 783 2HG2 THR 55 3HG2 THR 55 -17.224 -30.077 -38.372 784 3HG2 THR 55 2HG2 THR 55 -17.511 -28.642 -39.357 785 H SER 56 H SER 56 -18.564 -29.812 -36.209 786 HA SER 56 HA SER 56 -17.455 -32.522 -35.690 787 1HB SER 56 2HB SER 56 -16.762 -29.671 -35.066 788 2HB SER 56 1HB SER 56 -16.108 -30.937 -34.031 789 HG SER 56 HG SER 56 -15.507 -30.271 -36.629 790 H ASN 57 H ASN 57 -20.249 -31.552 -34.953 791 HA ASN 57 HA ASN 57 -21.716 -31.494 -33.134 792 1HB ASN 57 2HB ASN 57 -21.595 -33.568 -31.894 793 2HB ASN 57 1HB ASN 57 -21.114 -33.873 -33.558 794 1HD2 ASN 57 2HD2 ASN 57 -17.771 -34.734 -32.723 795 2HD2 ASN 57 1HD2 ASN 57 -18.838 -34.339 -33.981 796 H ALA 58 H ALA 58 -20.255 -29.459 -32.701 797 HA ALA 58 HA ALA 58 -19.340 -29.616 -29.848 798 1HB ALA 58 3HB ALA 58 -17.969 -28.935 -32.250 799 2HB ALA 58 2HB ALA 58 -18.156 -27.447 -31.318 800 3HB ALA 58 1HB ALA 58 -17.353 -28.842 -30.599 801 H ILE 59 H ILE 59 -19.402 -27.256 -28.886 802 HA ILE 59 HA ILE 59 -22.083 -26.152 -29.462 803 HB ILE 59 HB ILE 59 -20.036 -25.414 -27.355 804 1HG1 ILE 59 2HG1 ILE 59 -22.329 -27.401 -27.216 805 2HG1 ILE 59 1HG1 ILE 59 -20.614 -27.823 -27.249 806 1HG2 ILE 59 1HG2 ILE 59 -22.815 -24.622 -27.982 807 2HG2 ILE 59 3HG2 ILE 59 -22.509 -24.993 -26.285 808 3HG2 ILE 59 2HG2 ILE 59 -21.566 -23.744 -27.099 809 1HD1 ILE 59 3HD1 ILE 59 -20.465 -26.193 -25.193 810 2HD1 ILE 59 2HD1 ILE 59 -22.196 -26.505 -25.065 811 3HD1 ILE 59 1HD1 ILE 59 -21.050 -27.840 -24.957 812 H CYS 60 H CYS 60 -22.369 -24.216 -30.450 813 HA CYS 60 HA CYS 60 -19.937 -22.651 -31.217 814 1HB CYS 60 2HB CYS 60 -22.620 -22.574 -32.606 815 2HB CYS 60 1HB CYS 60 -21.036 -22.187 -33.258 816 H GLU 61 H GLU 61 -19.831 -20.869 -29.861 817 HA GLU 61 HA GLU 61 -22.244 -19.145 -29.670 818 1HB GLU 61 2HB GLU 61 -21.036 -20.793 -27.533 819 2HB GLU 61 1HB GLU 61 -21.377 -19.123 -27.079 820 1HG GLU 61 2HG GLU 61 -23.501 -20.575 -28.583 821 2HG GLU 61 1HG GLU 61 -23.238 -21.049 -26.905 822 H TYR 62 H TYR 62 -21.698 -16.986 -28.837 823 HA TYR 62 HA TYR 62 -18.778 -16.323 -28.969 824 1HB TYR 62 2HB TYR 62 -21.126 -14.860 -30.227 825 2HB TYR 62 1HB TYR 62 -19.440 -14.350 -30.314 826 HD1 TYR 62 HD1 TYR 62 -17.881 -16.669 -30.865 827 HD2 TYR 62 HD2 TYR 62 -21.854 -15.730 -32.279 828 HE1 TYR 62 HE1 TYR 62 -17.531 -18.148 -32.838 829 HE2 TYR 62 HE2 TYR 62 -21.498 -17.209 -34.251 830 HH TYR 62 HH TYR 62 -19.880 -18.301 -35.470 831 H LEU 63 H LEU 63 -20.467 -16.699 -26.610 832 HA LEU 63 HA LEU 63 -21.600 -14.378 -25.500 833 1HB LEU 63 2HB LEU 63 -20.628 -16.963 -24.686 834 2HB LEU 63 1HB LEU 63 -20.158 -15.764 -23.481 835 HG LEU 63 HG LEU 63 -22.946 -15.641 -24.543 836 1HD1 LEU 63 1HD1 LEU 63 -21.781 -17.933 -23.098 837 2HD1 LEU 63 3HD1 LEU 63 -23.231 -17.263 -22.350 838 3HD1 LEU 63 2HD1 LEU 63 -23.281 -17.827 -24.020 839 1HD2 LEU 63 2HD2 LEU 63 -21.466 -14.365 -22.554 840 2HD2 LEU 63 1HD2 LEU 63 -23.220 -14.318 -22.727 841 3HD2 LEU 63 3HD2 LEU 63 -22.471 -15.507 -21.662 842 H GLU 64 H GLU 64 -20.754 -12.540 -24.527 843 HA GLU 64 HA GLU 64 -18.030 -12.289 -23.616 844 1HB GLU 64 2HB GLU 64 -17.795 -12.455 -26.128 845 2HB GLU 64 1HB GLU 64 -18.708 -10.951 -26.252 846 1HG GLU 64 2HG GLU 64 -17.023 -9.763 -24.958 847 2HG GLU 64 1HG GLU 64 -16.140 -11.264 -24.672 848 HA PRO 65 HA PRO 65 -20.275 -8.937 -21.671 849 1HB PRO 65 2HB PRO 65 -17.828 -7.625 -20.922 850 2HB PRO 65 1HB PRO 65 -18.890 -8.605 -19.908 851 1HG PRO 65 2HG PRO 65 -16.284 -9.283 -20.860 852 2HG PRO 65 1HG PRO 65 -17.380 -10.287 -19.906 853 1HD PRO 65 2HD PRO 65 -16.680 -10.579 -22.716 854 2HD PRO 65 1HD PRO 65 -17.712 -11.632 -21.719 855 H SER 66 H SER 66 -20.462 -6.538 -21.926 856 HA SER 66 HA SER 66 -19.300 -5.612 -24.530 857 1HB SER 66 2HB SER 66 -21.368 -4.537 -24.910 858 2HB SER 66 1HB SER 66 -21.835 -6.049 -24.137 859 HG SER 66 HG SER 66 -22.621 -4.914 -22.564 860 H LYS 67 H LYS 67 -19.050 -5.147 -21.208 861 HA LYS 67 HA LYS 67 -18.187 -2.299 -21.594 862 1HB LYS 67 2HB LYS 67 -19.970 -3.660 -19.672 863 2HB LYS 67 1HB LYS 67 -18.815 -2.549 -18.935 864 1HG LYS 67 2HG LYS 67 -20.001 -0.775 -19.645 865 2HG LYS 67 1HG LYS 67 -19.932 -1.354 -21.310 866 1HD LYS 67 2HD LYS 67 -21.790 -3.023 -20.546 867 2HD LYS 67 1HD LYS 67 -22.019 -1.893 -19.211 868 1HE LYS 67 2HE LYS 67 -21.987 -0.983 -22.103 869 2HE LYS 67 1HE LYS 67 -23.479 -1.451 -21.263 870 1HZ LYS 67 1HZ LYS 67 -22.859 0.104 -19.473 871 2HZ LYS 67 3HZ LYS 67 -21.537 0.626 -20.397 872 3HZ LYS 67 2HZ LYS 67 -23.120 0.893 -20.954 873 H LYS 68 H LYS 68 -15.959 -2.898 -21.890 874 HA LYS 68 HA LYS 68 -14.434 -3.270 -19.463 875 1HB LYS 68 2HB LYS 68 -13.600 -5.558 -20.049 876 2HB LYS 68 1HB LYS 68 -15.328 -5.535 -19.695 877 1HG LYS 68 2HG LYS 68 -15.707 -6.449 -21.713 878 2HG LYS 68 1HG LYS 68 -15.089 -4.972 -22.453 879 1HD LYS 68 2HD LYS 68 -13.809 -6.856 -23.303 880 2HD LYS 68 1HD LYS 68 -12.771 -5.901 -22.243 881 1HE LYS 68 2HE LYS 68 -12.714 -7.534 -20.603 882 2HE LYS 68 1HE LYS 68 -14.335 -8.137 -21.004 883 1HZ LYS 68 2HZ LYS 68 -13.395 -8.873 -23.171 884 2HZ LYS 68 1HZ LYS 68 -11.846 -8.494 -22.584 885 3HZ LYS 68 3HZ LYS 68 -12.762 -9.707 -21.833 886 H ILE 69 H ILE 69 -12.853 -1.806 -20.081 887 HA ILE 69 HA ILE 69 -11.964 -1.541 -22.839 888 HB ILE 69 HB ILE 69 -12.084 0.240 -21.020 889 1HG1 ILE 69 2HG1 ILE 69 -10.014 1.364 -21.790 890 2HG1 ILE 69 1HG1 ILE 69 -9.456 -0.166 -22.468 891 1HG2 ILE 69 1HG2 ILE 69 -9.596 -1.208 -20.086 892 2HG2 ILE 69 3HG2 ILE 69 -10.039 0.422 -19.581 893 3HG2 ILE 69 2HG2 ILE 69 -11.077 -0.940 -19.170 894 1HD1 ILE 69 3HD1 ILE 69 -12.181 0.596 -23.293 895 2HD1 ILE 69 2HD1 ILE 69 -10.922 1.699 -23.848 896 3HD1 ILE 69 1HD1 ILE 69 -10.840 -0.013 -24.262 897 H VAL 70 H VAL 70 -9.914 -2.176 -23.684 898 HA VAL 70 HA VAL 70 -8.113 -3.796 -21.985 899 HB VAL 70 HB VAL 70 -9.180 -4.954 -24.568 900 1HG1 VAL 70 1HG1 VAL 70 -7.051 -5.753 -23.395 901 2HG1 VAL 70 3HG1 VAL 70 -8.102 -6.324 -22.099 902 3HG1 VAL 70 2HG1 VAL 70 -8.265 -6.990 -23.725 903 1HG2 VAL 70 3HG2 VAL 70 -10.298 -5.331 -21.767 904 2HG2 VAL 70 2HG2 VAL 70 -11.153 -4.660 -23.154 905 3HG2 VAL 70 1HG2 VAL 70 -10.695 -6.362 -23.142 906 H VAL 71 H VAL 71 -6.385 -2.403 -22.430 907 HA VAL 71 HA VAL 71 -5.321 -2.490 -25.183 908 HB VAL 71 HB VAL 71 -6.131 0.048 -23.732 909 1HG1 VAL 71 1HG1 VAL 71 -4.435 -0.411 -26.190 910 2HG1 VAL 71 3HG1 VAL 71 -5.299 1.103 -25.930 911 3HG1 VAL 71 2HG1 VAL 71 -4.069 0.582 -24.780 912 1HG2 VAL 71 3HG2 VAL 71 -7.060 -1.361 -26.242 913 2HG2 VAL 71 2HG2 VAL 71 -8.022 -0.886 -24.843 914 3HG2 VAL 71 1HG2 VAL 71 -7.403 0.343 -25.946 915 H SER 72 H SER 72 -4.448 -0.030 -22.801 916 HA SER 72 HA SER 72 -2.109 -1.608 -21.884 917 1HB SER 72 2HB SER 72 -1.467 -0.609 -24.038 918 2HB SER 72 1HB SER 72 -1.974 0.979 -23.467 919 HG SER 72 HG SER 72 0.380 -0.143 -23.194 920 H THR 73 H THR 73 -1.920 -1.172 -19.717 921 HA THR 73 HA THR 73 -3.391 0.851 -18.339 922 HB THR 73 HB THR 73 -2.472 -1.238 -17.365 923 HG1 THR 73 HG1 THR 73 -1.697 -0.258 -15.460 924 1HG2 THR 73 3HG2 THR 73 -0.300 -1.070 -18.663 925 2HG2 THR 73 2HG2 THR 73 0.217 0.140 -17.490 926 3HG2 THR 73 1HG2 THR 73 -0.122 -1.508 -16.964 927 H LYS 74 H LYS 74 -0.018 0.785 -19.518 928 HA LYS 74 HA LYS 74 0.923 3.206 -18.402 929 1HB LYS 74 2HB LYS 74 2.041 1.351 -19.855 930 2HB LYS 74 1HB LYS 74 1.501 2.323 -21.223 931 1HG LYS 74 2HG LYS 74 2.621 4.220 -19.569 932 2HG LYS 74 1HG LYS 74 3.678 2.830 -19.319 933 1HD LYS 74 2HD LYS 74 3.043 3.096 -22.126 934 2HD LYS 74 1HD LYS 74 3.701 4.611 -21.508 935 1HE LYS 74 2HE LYS 74 5.779 3.716 -21.488 936 2HE LYS 74 1HE LYS 74 5.221 2.408 -20.425 937 1HZ LYS 74 2HZ LYS 74 4.767 2.498 -23.360 938 2HZ LYS 74 1HZ LYS 74 5.997 1.598 -22.612 939 3HZ LYS 74 3HZ LYS 74 4.371 1.221 -22.311 940 H TYR 75 H TYR 75 -0.817 2.651 -21.467 941 HA TYR 75 HA TYR 75 -0.933 5.329 -22.393 942 1HB TYR 75 2HB TYR 75 -1.667 3.798 -23.958 943 2HB TYR 75 1HB TYR 75 -2.368 2.743 -22.739 944 HD1 TYR 75 HD2 TYR 75 -2.928 6.190 -24.176 945 HD2 TYR 75 HD1 TYR 75 -4.695 2.540 -22.693 946 HE1 TYR 75 HE2 TYR 75 -5.196 7.063 -24.729 947 HE2 TYR 75 HE1 TYR 75 -6.958 3.411 -23.247 948 HH TYR 75 HH TYR 75 -7.934 5.122 -24.868 949 H LEU 76 H LEU 76 -3.252 3.517 -20.359 950 HA LEU 76 HA LEU 76 -5.180 5.495 -19.901 951 1HB LEU 76 2HB LEU 76 -4.231 3.015 -18.749 952 2HB LEU 76 1HB LEU 76 -4.742 4.119 -17.474 953 HG LEU 76 HG LEU 76 -6.644 2.774 -18.223 954 1HD1 LEU 76 3HD1 LEU 76 -6.771 5.338 -17.701 955 2HD1 LEU 76 2HD1 LEU 76 -7.094 5.492 -19.427 956 3HD1 LEU 76 1HD1 LEU 76 -8.172 4.537 -18.410 957 1HD2 LEU 76 1HD2 LEU 76 -5.694 2.419 -20.544 958 2HD2 LEU 76 3HD2 LEU 76 -7.412 2.815 -20.512 959 3HD2 LEU 76 2HD2 LEU 76 -6.231 4.051 -20.940 960 H GLN 77 H GLN 77 -2.102 4.974 -18.149 961 HA GLN 77 HA GLN 77 -2.450 7.068 -16.228 962 1HB GLN 77 2HB GLN 77 -0.497 5.151 -17.063 963 2HB GLN 77 1HB GLN 77 0.301 6.720 -16.934 964 1HG GLN 77 2HG GLN 77 -1.579 5.919 -14.753 965 2HG GLN 77 1HG GLN 77 0.010 5.151 -14.801 966 1HE2 GLN 77 2HE2 GLN 77 -0.306 8.929 -13.456 967 2HE2 GLN 77 1HE2 GLN 77 -1.659 7.953 -13.775 968 H GLN 78 H GLN 78 -0.890 7.033 -19.448 969 HA GLN 78 HA GLN 78 0.041 9.730 -19.444 970 1HB GLN 78 2HB GLN 78 0.640 7.928 -21.062 971 2HB GLN 78 1HB GLN 78 -0.991 8.012 -21.729 972 1HG GLN 78 2HG GLN 78 -0.638 10.089 -22.703 973 2HG GLN 78 1HG GLN 78 0.617 10.533 -21.545 974 1HE2 GLN 78 2HE2 GLN 78 3.201 9.430 -23.652 975 2HE2 GLN 78 1HE2 GLN 78 2.717 10.393 -22.341 976 H LEU 79 H LEU 79 -3.135 8.338 -19.889 977 HA LEU 79 HA LEU 79 -4.353 10.713 -21.083 978 1HB LEU 79 2HB LEU 79 -5.029 8.238 -21.266 979 2HB LEU 79 1HB LEU 79 -5.681 8.414 -19.634 980 HG LEU 79 HG LEU 79 -6.990 10.418 -20.520 981 1HD1 LEU 79 3HD1 LEU 79 -5.489 9.659 -22.886 982 2HD1 LEU 79 2HD1 LEU 79 -7.223 9.634 -23.206 983 3HD1 LEU 79 1HD1 LEU 79 -6.458 11.104 -22.601 984 1HD2 LEU 79 1HD2 LEU 79 -7.649 7.801 -20.344 985 2HD2 LEU 79 3HD2 LEU 79 -8.778 9.034 -20.911 986 3HD2 LEU 79 2HD2 LEU 79 -7.889 8.048 -22.074 987 H GLN 80 H GLN 80 -4.170 9.242 -17.862 988 HA GLN 80 HA GLN 80 -5.933 11.112 -16.555 989 1HB GLN 80 2HB GLN 80 -4.291 8.799 -16.004 990 2HB GLN 80 1HB GLN 80 -4.064 10.007 -14.741 991 1HG GLN 80 2HG GLN 80 -6.149 9.683 -13.919 992 2HG GLN 80 1HG GLN 80 -6.867 9.709 -15.531 993 1HE2 GLN 80 2HE2 GLN 80 -5.968 6.098 -15.935 994 2HE2 GLN 80 1HE2 GLN 80 -5.557 7.530 -16.749 995 H LYS 81 H LYS 81 -2.348 10.808 -16.552 996 HA LYS 81 HA LYS 81 -1.784 13.167 -15.080 997 1HB LYS 81 2HB LYS 81 -0.201 11.333 -15.752 998 2HB LYS 81 1HB LYS 81 -0.241 11.957 -17.401 999 1HG LYS 81 2HG LYS 81 0.716 14.061 -16.704 1000 2HG LYS 81 1HG LYS 81 0.571 13.620 -15.003 1001 1HD LYS 81 2HD LYS 81 2.482 12.409 -15.045 1002 2HD LYS 81 1HD LYS 81 2.051 11.635 -16.571 1003 1HE LYS 81 2HE LYS 81 2.572 14.285 -17.294 1004 2HE LYS 81 1HE LYS 81 3.834 13.898 -16.107 1005 1HZ LYS 81 3HZ LYS 81 3.065 12.043 -18.287 1006 2HZ LYS 81 2HZ LYS 81 4.306 13.188 -18.467 1007 3HZ LYS 81 1HZ LYS 81 4.436 11.967 -17.292 1008 H ASP 82 H ASP 82 -2.334 12.714 -18.577 1009 HA ASP 82 HA ASP 82 -1.741 15.356 -19.441 1010 1HB ASP 82 2HB ASP 82 -2.298 13.239 -20.775 1011 2HB ASP 82 1HB ASP 82 -3.993 13.587 -20.442 1012 H LEU 83 H LEU 83 -4.722 13.942 -18.096 1013 HA LEU 83 HA LEU 83 -6.380 16.267 -18.324 1014 1HB LEU 83 2HB LEU 83 -7.175 13.974 -17.867 1015 2HB LEU 83 1HB LEU 83 -6.339 13.988 -16.314 1016 HG LEU 83 HG LEU 83 -8.194 16.251 -16.823 1017 1HD1 LEU 83 1HD1 LEU 83 -9.280 14.035 -17.660 1018 2HD1 LEU 83 3HD1 LEU 83 -9.338 13.602 -15.952 1019 3HD1 LEU 83 2HD1 LEU 83 -10.187 15.037 -16.527 1020 1HD2 LEU 83 3HD2 LEU 83 -6.794 15.156 -14.664 1021 2HD2 LEU 83 2HD2 LEU 83 -8.044 16.396 -14.572 1022 3HD2 LEU 83 1HD2 LEU 83 -8.470 14.697 -14.369 1023 H ASN 84 H ASN 84 -4.098 15.157 -15.826 1024 HA ASN 84 HA ASN 84 -4.708 17.229 -13.905 1025 1HB ASN 84 2HB ASN 84 -3.176 14.918 -14.095 1026 2HB ASN 84 1HB ASN 84 -1.967 16.192 -13.951 1027 1HD2 ASN 84 2HD2 ASN 84 -2.577 16.650 -10.520 1028 2HD2 ASN 84 1HD2 ASN 84 -1.547 16.892 -11.848 1029 H ASP 85 H ASP 85 -2.504 16.953 -16.659 1030 HA ASP 85 HA ASP 85 -0.969 19.337 -16.145 1031 1HB ASP 85 2HB ASP 85 -0.887 17.244 -17.891 1032 2HB ASP 85 1HB ASP 85 -1.533 18.504 -18.942 1033 H LYS 86 H LYS 86 -4.192 18.793 -17.300 1034 HA LYS 86 HA LYS 86 -4.463 21.417 -18.605 1035 1HB LYS 86 2HB LYS 86 -6.450 19.287 -17.721 1036 2HB LYS 86 1HB LYS 86 -6.847 20.678 -18.732 1037 1HG LYS 86 2HG LYS 86 -4.753 18.612 -19.456 1038 2HG LYS 86 1HG LYS 86 -6.417 18.575 -20.041 1039 1HD LYS 86 2HD LYS 86 -6.066 20.904 -20.944 1040 2HD LYS 86 1HD LYS 86 -4.359 20.746 -20.526 1041 1HE LYS 86 2HE LYS 86 -4.239 18.696 -21.966 1042 2HE LYS 86 1HE LYS 86 -5.914 19.001 -22.469 1043 1HZ LYS 86 2HZ LYS 86 -5.191 21.294 -23.058 1044 2HZ LYS 86 1HZ LYS 86 -3.583 20.810 -22.797 1045 3HZ LYS 86 3HZ LYS 86 -4.497 20.084 -24.029 1046 H THR 87 H THR 87 -4.966 19.897 -15.505 1047 HA THR 87 HA THR 87 -6.462 22.099 -14.301 1048 HB THR 87 HB THR 87 -5.063 19.569 -13.373 1049 HG1 THR 87 HG1 THR 87 -6.944 18.837 -13.875 1050 1HG2 THR 87 3HG2 THR 87 -5.837 21.882 -11.796 1051 2HG2 THR 87 2HG2 THR 87 -6.726 20.440 -11.305 1052 3HG2 THR 87 1HG2 THR 87 -4.963 20.433 -11.302 1053 H GLU 88 H GLU 88 -3.115 20.865 -14.292 1054 HA GLU 88 HA GLU 88 -1.989 22.811 -12.513 1055 1HB GLU 88 2HB GLU 88 -0.844 20.750 -13.149 1056 2HB GLU 88 1HB GLU 88 -0.878 21.215 -14.850 1057 1HG GLU 88 2HG GLU 88 1.094 22.260 -14.573 1058 2HG GLU 88 1HG GLU 88 0.320 23.366 -13.436 1059 H GLU 89 H GLU 89 -2.681 22.763 -15.971 1060 HA GLU 89 HA GLU 89 -1.351 25.255 -16.627 1061 1HB GLU 89 2HB GLU 89 -3.146 23.250 -17.833 1062 2HB GLU 89 1HB GLU 89 -3.395 24.883 -18.448 1063 1HG GLU 89 2HG GLU 89 -0.960 25.061 -18.910 1064 2HG GLU 89 1HG GLU 89 -0.751 23.399 -18.354 1065 H ASN 90 H ASN 90 -4.759 24.360 -16.024 1066 HA ASN 90 HA ASN 90 -5.948 26.922 -16.165 1067 1HB ASN 90 2HB ASN 90 -6.494 24.252 -15.145 1068 2HB ASN 90 1HB ASN 90 -7.179 25.474 -14.077 1069 1HD2 ASN 90 2HD2 ASN 90 -9.282 24.613 -17.259 1070 2HD2 ASN 90 1HD2 ASN 90 -8.259 23.570 -16.395 1071 H ASN 91 H ASN 91 -3.958 25.425 -13.712 1072 HA ASN 91 HA ASN 91 -4.528 27.311 -11.576 1073 1HB ASN 91 2HB ASN 91 -2.825 24.985 -12.180 1074 2HB ASN 91 1HB ASN 91 -2.059 26.145 -11.098 1075 1HD2 ASN 91 2HD2 ASN 91 -5.337 24.046 -9.825 1076 2HD2 ASN 91 1HD2 ASN 91 -4.913 24.043 -11.470 1077 H ARG 92 H ARG 92 -2.119 27.028 -14.161 1078 HA ARG 92 HA ARG 92 -0.543 29.322 -13.244 1079 1HB ARG 92 2HB ARG 92 -0.010 27.167 -14.728 1080 2HB ARG 92 1HB ARG 92 -0.481 28.253 -16.035 1081 1HG ARG 92 2HG ARG 92 1.124 29.956 -14.952 1082 2HG ARG 92 1HG ARG 92 1.769 28.581 -14.053 1083 1HD ARG 92 2HD ARG 92 1.955 27.431 -16.394 1084 2HD ARG 92 1HD ARG 92 1.843 29.086 -17.025 1085 HE ARG 92 HE ARG 92 3.723 29.505 -15.195 1086 1HH1 ARG 92 1HH2 ARG 92 4.827 27.203 -14.346 1087 2HH1 ARG 92 2HH2 ARG 92 5.810 26.567 -15.622 1088 1HH2 ARG 92 2HH1 ARG 92 4.316 28.492 -18.089 1089 2HH2 ARG 92 1HH1 ARG 92 5.520 27.297 -17.742 1090 H LEU 93 H LEU 93 -2.682 28.686 -16.054 1091 HA LEU 93 HA LEU 93 -2.714 31.238 -17.217 1092 1HB LEU 93 2HB LEU 93 -4.250 28.798 -17.218 1093 2HB LEU 93 1HB LEU 93 -5.353 30.175 -17.266 1094 HG LEU 93 HG LEU 93 -2.938 30.058 -19.066 1095 1HD1 LEU 93 1HD1 LEU 93 -5.682 28.857 -19.520 1096 2HD1 LEU 93 3HD1 LEU 93 -4.537 29.188 -20.820 1097 3HD1 LEU 93 2HD1 LEU 93 -4.131 28.019 -19.563 1098 1HD2 LEU 93 3HD2 LEU 93 -4.583 32.098 -18.544 1099 2HD2 LEU 93 2HD2 LEU 93 -3.948 31.823 -20.167 1100 3HD2 LEU 93 1HD2 LEU 93 -5.576 31.284 -19.753 1101 H LYS 94 H LYS 94 -4.222 30.108 -14.267 1102 HA LYS 94 HA LYS 94 -5.994 32.405 -13.932 1103 1HB LYS 94 2HB LYS 94 -6.466 30.191 -12.981 1104 2HB LYS 94 1HB LYS 94 -4.961 30.246 -12.061 1105 1HG LYS 94 2HG LYS 94 -5.821 32.324 -10.925 1106 2HG LYS 94 1HG LYS 94 -7.369 32.054 -11.726 1107 1HD LYS 94 2HD LYS 94 -7.639 29.915 -10.627 1108 2HD LYS 94 1HD LYS 94 -6.008 30.003 -9.959 1109 1HE LYS 94 2HE LYS 94 -6.635 31.436 -8.283 1110 2HE LYS 94 1HE LYS 94 -7.780 32.306 -9.326 1111 1HZ LYS 94 3HZ LYS 94 -8.230 29.501 -8.494 1112 2HZ LYS 94 2HZ LYS 94 -8.781 30.808 -7.559 1113 3HZ LYS 94 1HZ LYS 94 -9.351 30.595 -9.145 1114 H ALA 95 H ALA 95 -2.769 31.428 -12.794 1115 HA ALA 95 HA ALA 95 -2.507 33.917 -11.200 1116 1HB ALA 95 2HB ALA 95 -1.046 31.331 -11.576 1117 2HB ALA 95 1HB ALA 95 -0.135 32.710 -10.962 1118 3HB ALA 95 3HB ALA 95 -1.546 32.124 -10.083 1119 H LEU 96 H LEU 96 -1.926 32.913 -14.409 1120 HA LEU 96 HA LEU 96 0.421 34.648 -14.844 1121 1HB LEU 96 2HB LEU 96 0.014 32.411 -15.944 1122 2HB LEU 96 1HB LEU 96 -1.347 33.139 -16.796 1123 HG LEU 96 HG LEU 96 0.623 34.960 -17.314 1124 1HD1 LEU 96 3HD1 LEU 96 2.314 33.523 -16.207 1125 2HD1 LEU 96 2HD1 LEU 96 1.914 32.213 -17.317 1126 3HD1 LEU 96 1HD1 LEU 96 2.642 33.698 -17.930 1127 1HD2 LEU 96 1HD2 LEU 96 -0.482 32.576 -18.744 1128 2HD2 LEU 96 3HD2 LEU 96 -0.605 34.286 -19.157 1129 3HD2 LEU 96 2HD2 LEU 96 0.892 33.407 -19.473 1130 H LEU 97 H LEU 97 -3.071 34.716 -15.254 1131 HA LEU 97 HA LEU 97 -2.929 37.245 -16.806 1132 1HB LEU 97 2HB LEU 97 -5.259 35.510 -15.925 1133 2HB LEU 97 1HB LEU 97 -5.334 36.823 -17.099 1134 HG LEU 97 HG LEU 97 -3.687 34.293 -17.383 1135 1HD1 LEU 97 1HD1 LEU 97 -6.351 35.196 -18.425 1136 2HD1 LEU 97 3HD1 LEU 97 -5.335 34.181 -19.450 1137 3HD1 LEU 97 2HD1 LEU 97 -5.853 33.599 -17.868 1138 1HD2 LEU 97 2HD2 LEU 97 -3.956 36.806 -19.026 1139 2HD2 LEU 97 1HD2 LEU 97 -2.487 35.964 -18.535 1140 3HD2 LEU 97 3HD2 LEU 97 -3.521 35.277 -19.789 1141 H LEU 98 H LEU 98 -4.079 35.981 -13.685 1142 HA LEU 98 HA LEU 98 -5.228 38.494 -12.795 1143 1HB LEU 98 2HB LEU 98 -4.213 36.072 -11.272 1144 2HB LEU 98 1HB LEU 98 -5.320 37.292 -10.646 1145 HG LEU 98 HG LEU 98 -5.866 35.555 -13.066 1146 1HD1 LEU 98 1HD1 LEU 98 -5.795 34.550 -10.612 1147 2HD1 LEU 98 3HD1 LEU 98 -7.361 35.351 -10.473 1148 3HD1 LEU 98 2HD1 LEU 98 -7.105 34.124 -11.714 1149 1HD2 LEU 98 2HD2 LEU 98 -7.203 37.866 -11.786 1150 2HD2 LEU 98 1HD2 LEU 98 -7.319 37.276 -13.444 1151 3HD2 LEU 98 3HD2 LEU 98 -8.265 36.510 -12.168 1152 H GLU 99 H GLU 99 -2.034 37.156 -12.897 1153 HA GLU 99 HA GLU 99 -0.963 39.064 -10.903 1154 1HB GLU 99 2HB GLU 99 -0.320 36.595 -11.202 1155 2HB GLU 99 1HB GLU 99 0.529 37.107 -12.661 1156 1HG GLU 99 2HG GLU 99 1.535 38.930 -10.989 1157 2HG GLU 99 1HG GLU 99 1.161 37.684 -9.799 1158 H ARG 100 HN ARG 100 -1.150 38.614 -14.380 1159 HA ARG 100 HA ARG 100 0.355 41.184 -14.736 1160 1HB ARG 100 2HB ARG 100 0.492 38.556 -16.231 1161 2HB ARG 100 1HB ARG 100 1.118 40.056 -16.916 1162 1HG ARG 100 2HG ARG 100 2.867 40.170 -15.429 1163 2HG ARG 100 1HG ARG 100 1.953 39.395 -14.134 1164 1HD ARG 100 2HD ARG 100 3.440 37.680 -14.699 1165 2HD ARG 100 1HD ARG 100 2.084 37.292 -15.776 1166 HE ARG 100 HE ARG 100 3.871 39.224 -16.986 1167 1HH1 ARG 100 1HH2 ARG 100 4.796 36.297 -15.780 1168 2HH1 ARG 100 2HH2 ARG 100 5.144 35.548 -17.302 1169 1HH2 ARG 100 1HH1 ARG 100 3.716 38.090 -19.179 1170 2HH2 ARG 100 2HH1 ARG 100 4.532 36.563 -19.227 No H/Q in entry = 1170 Start of MODEL 9 1 1H MET 30 2H MET 30 -8.556 -22.878 -5.614 2 2H MET 30 1H MET 30 -7.330 -22.975 -4.442 3 3H MET 30 3H MET 30 -8.536 -21.788 -4.311 4 HA MET 30 HA MET 30 -6.634 -20.664 -5.131 5 1HB MET 30 2HB MET 30 -6.163 -23.288 -6.098 6 2HB MET 30 1HB MET 30 -6.174 -22.234 -7.512 7 1HG MET 30 2HG MET 30 -4.314 -21.069 -6.832 8 2HG MET 30 1HG MET 30 -4.697 -21.253 -5.120 9 1HE MET 30 1HE MET 30 -3.334 -22.410 -8.239 10 2HE MET 30 3HE MET 30 -2.263 -23.781 -7.915 11 3HE MET 30 2HE MET 30 -3.990 -24.042 -8.141 12 H SER 31 H SER 31 -8.664 -22.411 -7.523 13 HA SER 31 HA SER 31 -10.006 -21.568 -9.279 14 1HB SER 31 2HB SER 31 -10.690 -20.421 -6.902 15 2HB SER 31 1HB SER 31 -10.321 -18.986 -7.854 16 HG SER 31 HG SER 31 -12.214 -21.027 -8.347 17 H VAL 32 H VAL 32 -7.565 -21.352 -10.194 18 HA VAL 32 HA VAL 32 -7.188 -18.488 -11.014 19 HB VAL 32 HB VAL 32 -5.157 -20.723 -10.686 20 1HG1 VAL 32 3HG1 VAL 32 -4.621 -18.958 -12.396 21 2HG1 VAL 32 2HG1 VAL 32 -4.740 -17.749 -11.116 22 3HG1 VAL 32 1HG1 VAL 32 -3.492 -18.994 -11.041 23 1HG2 VAL 32 1HG2 VAL 32 -6.203 -18.593 -8.874 24 2HG2 VAL 32 3HG2 VAL 32 -5.610 -20.207 -8.484 25 3HG2 VAL 32 2HG2 VAL 32 -4.468 -18.909 -8.831 26 H ALA 33 H ALA 33 -6.685 -18.135 -13.237 27 HA ALA 33 HA ALA 33 -6.422 -20.408 -15.087 28 1HB ALA 33 1HB ALA 33 -8.894 -18.657 -14.928 29 2HB ALA 33 3HB ALA 33 -8.534 -19.709 -16.297 30 3HB ALA 33 2HB ALA 33 -8.815 -20.404 -14.701 31 H CYS 34 H CYS 34 -6.078 -19.599 -17.345 32 HA CYS 34 HA CYS 34 -4.398 -17.264 -17.429 33 1HB CYS 34 2HB CYS 34 -5.784 -18.755 -19.679 34 2HB CYS 34 1HB CYS 34 -4.334 -17.768 -19.820 35 H LEU 35 H LEU 35 -4.929 -15.536 -19.248 36 HA LEU 35 HA LEU 35 -7.223 -14.036 -18.419 37 1HB LEU 35 2HB LEU 35 -5.046 -13.927 -20.405 38 2HB LEU 35 1HB LEU 35 -6.501 -13.056 -20.882 39 HG LEU 35 HG LEU 35 -4.934 -11.606 -19.622 40 1HD1 LEU 35 1HD1 LEU 35 -7.702 -12.199 -18.865 41 2HD1 LEU 35 3HD1 LEU 35 -6.790 -11.418 -17.574 42 3HD1 LEU 35 2HD1 LEU 35 -6.926 -10.641 -19.150 43 1HD2 LEU 35 1HD2 LEU 35 -4.003 -13.475 -18.216 44 2HD2 LEU 35 3HD2 LEU 35 -4.457 -12.049 -17.281 45 3HD2 LEU 35 2HD2 LEU 35 -5.507 -13.467 -17.296 46 H SER 36 H SER 36 -6.580 -16.030 -21.278 47 HA SER 36 HA SER 36 -9.083 -15.647 -22.597 48 1HB SER 36 2HB SER 36 -8.332 -17.516 -23.892 49 2HB SER 36 1HB SER 36 -6.871 -16.681 -23.391 50 HG SER 36 HG SER 36 -6.390 -18.288 -22.082 51 H CYS 37 H CYS 37 -7.968 -18.361 -20.550 52 HA CYS 37 HA CYS 37 -10.457 -19.712 -20.329 53 1HB CYS 37 2HB CYS 37 -8.185 -19.455 -18.327 54 2HB CYS 37 1HB CYS 37 -9.373 -20.758 -18.376 55 H ARG 38 H ARG 38 -9.154 -16.915 -18.616 56 HA ARG 38 HA ARG 38 -11.162 -16.878 -16.510 57 1HB ARG 38 2HB ARG 38 -9.029 -15.080 -17.625 58 2HB ARG 38 1HB ARG 38 -10.207 -14.403 -16.499 59 1HG ARG 38 2HG ARG 38 -8.539 -16.877 -15.957 60 2HG ARG 38 1HG ARG 38 -8.160 -15.264 -15.352 61 1HD ARG 38 2HD ARG 38 -10.887 -15.731 -14.713 62 2HD ARG 38 1HD ARG 38 -9.991 -17.190 -14.243 63 HE ARG 38 HE ARG 38 -8.987 -14.481 -13.465 64 1HH1 ARG 38 2HH1 ARG 38 -7.223 -15.531 -12.000 65 2HH1 ARG 38 1HH1 ARG 38 -7.910 -16.426 -10.685 66 1HH2 ARG 38 1HH2 ARG 38 -11.075 -16.576 -12.092 67 2HH2 ARG 38 2HH2 ARG 38 -10.091 -17.019 -10.738 68 H LYS 39 H LYS 39 -10.768 -15.268 -19.659 69 HA LYS 39 HA LYS 39 -13.082 -13.562 -19.443 70 1HB LYS 39 2HB LYS 39 -11.281 -13.095 -20.984 71 2HB LYS 39 1HB LYS 39 -11.448 -14.678 -21.742 72 1HG LYS 39 2HG LYS 39 -13.880 -12.969 -21.717 73 2HG LYS 39 1HG LYS 39 -12.566 -12.449 -22.773 74 1HD LYS 39 2HD LYS 39 -12.711 -15.206 -23.175 75 2HD LYS 39 1HD LYS 39 -14.396 -14.698 -23.080 76 1HE LYS 39 2HE LYS 39 -13.444 -12.723 -24.665 77 2HE LYS 39 1HE LYS 39 -12.342 -14.035 -25.129 78 1HZ LYS 39 3HZ LYS 39 -14.381 -15.480 -25.242 79 2HZ LYS 39 2HZ LYS 39 -15.307 -14.059 -25.149 80 3HZ LYS 39 1HZ LYS 39 -14.255 -14.308 -26.460 81 H ARG 40 H ARG 40 -12.592 -16.893 -20.524 82 HA ARG 40 HA ARG 40 -15.468 -17.075 -21.318 83 1HB ARG 40 2HB ARG 40 -13.100 -18.922 -21.748 84 2HB ARG 40 1HB ARG 40 -14.700 -19.121 -22.466 85 1HG ARG 40 2HG ARG 40 -14.253 -16.634 -23.273 86 2HG ARG 40 1HG ARG 40 -12.570 -17.125 -23.083 87 1HD ARG 40 2HD ARG 40 -13.100 -17.693 -25.341 88 2HD ARG 40 1HD ARG 40 -13.250 -19.229 -24.462 89 HE ARG 40 HE ARG 40 -15.543 -17.504 -25.285 90 1HH1 ARG 40 2HH1 ARG 40 -17.321 -18.465 -23.854 91 2HH1 ARG 40 1HH1 ARG 40 -17.451 -20.188 -23.982 92 1HH2 ARG 40 1HH2 ARG 40 -14.366 -20.574 -25.517 93 2HH2 ARG 40 2HH2 ARG 40 -15.779 -21.381 -24.923 94 H HIS 41 H HIS 41 -13.671 -17.490 -18.583 95 HA HIS 41 HA HIS 41 -13.954 -18.768 -16.626 96 1HB HIS 41 2HB HIS 41 -16.551 -18.439 -17.985 97 2HB HIS 41 1HB HIS 41 -16.503 -19.773 -16.837 98 HD1 HIS 41 HD1 HIS 41 -15.163 -16.190 -16.817 99 HD2 HIS 41 HD2 HIS 41 -17.221 -18.845 -14.350 100 HE1 HIS 41 HE1 HIS 41 -15.606 -14.956 -14.650 101 H ILE 42 H ILE 42 -12.395 -20.211 -18.113 102 HA ILE 42 HA ILE 42 -13.694 -22.833 -18.709 103 HB ILE 42 HB ILE 42 -10.932 -21.773 -19.387 104 1HG1 ILE 42 2HG1 ILE 42 -13.434 -21.844 -21.105 105 2HG1 ILE 42 1HG1 ILE 42 -12.786 -20.393 -20.343 106 1HG2 ILE 42 2HG2 ILE 42 -12.572 -24.135 -20.338 107 2HG2 ILE 42 1HG2 ILE 42 -11.138 -23.552 -21.186 108 3HG2 ILE 42 3HG2 ILE 42 -10.999 -24.171 -19.541 109 1HD1 ILE 42 1HD1 ILE 42 -10.552 -21.263 -21.573 110 2HD1 ILE 42 3HD1 ILE 42 -11.759 -21.925 -22.675 111 3HD1 ILE 42 2HD1 ILE 42 -11.710 -20.190 -22.359 112 H LYS 43 H LYS 43 -12.931 -24.723 -17.710 113 HA LYS 43 HA LYS 43 -11.725 -24.437 -15.080 114 1HB LYS 43 2HB LYS 43 -13.130 -26.380 -16.685 115 2HB LYS 43 1HB LYS 43 -11.708 -27.136 -15.965 116 1HG LYS 43 2HG LYS 43 -12.878 -27.314 -14.048 117 2HG LYS 43 1HG LYS 43 -12.801 -25.557 -13.917 118 1HD LYS 43 2HD LYS 43 -14.938 -27.065 -15.450 119 2HD LYS 43 1HD LYS 43 -15.140 -26.437 -13.814 120 1HE LYS 43 2HE LYS 43 -14.312 -24.169 -14.940 121 2HE LYS 43 1HE LYS 43 -14.958 -24.939 -16.403 122 1HZ LYS 43 3HZ LYS 43 -16.996 -25.444 -15.153 123 2HZ LYS 43 2HZ LYS 43 -16.386 -24.587 -13.819 124 3HZ LYS 43 1HZ LYS 43 -16.724 -23.774 -15.271 125 H CYS 44 H CYS 44 -9.636 -23.438 -15.721 126 HA CYS 44 HA CYS 44 -7.754 -24.633 -17.486 127 1HB CYS 44 2HB CYS 44 -7.897 -22.335 -16.199 128 2HB CYS 44 1HB CYS 44 -6.965 -23.190 -14.970 129 HA PRO 45 HA PRO 45 -6.648 -28.281 -15.147 130 1HB PRO 45 2HB PRO 45 -4.008 -28.322 -16.289 131 2HB PRO 45 1HB PRO 45 -5.400 -29.313 -16.734 132 1HG PRO 45 2HG PRO 45 -4.218 -27.187 -18.240 133 2HG PRO 45 1HG PRO 45 -5.637 -28.151 -18.659 134 1HD PRO 45 2HD PRO 45 -5.546 -25.385 -17.813 135 2HD PRO 45 1HD PRO 45 -6.970 -26.343 -18.288 136 H GLY 46 H GLY 46 -4.129 -25.758 -15.512 137 1HA GLY 46 2HA GLY 46 -3.486 -24.575 -13.378 138 2HA GLY 46 1HA GLY 46 -3.457 -26.169 -12.625 139 H GLY 47 H GLY 47 -1.754 -23.995 -14.779 140 1HA GLY 47 2HA GLY 47 0.805 -25.051 -14.145 141 2HA GLY 47 1HA GLY 47 0.288 -25.775 -15.668 142 H ASN 48 H ASN 48 2.466 -24.282 -15.933 143 HA ASN 48 HA ASN 48 1.475 -21.841 -17.331 144 1HB ASN 48 2HB ASN 48 3.162 -22.042 -14.927 145 2HB ASN 48 1HB ASN 48 3.836 -21.007 -16.187 146 1HD2 ASN 48 2HD2 ASN 48 0.793 -18.895 -16.143 147 2HD2 ASN 48 1HD2 ASN 48 1.673 -19.764 -17.309 148 HA PRO 49 HA PRO 49 1.259 -21.504 -19.267 149 1HB PRO 49 2HB PRO 49 1.031 -23.235 -21.545 150 2HB PRO 49 1HB PRO 49 1.416 -21.517 -21.534 151 1HG PRO 49 2HG PRO 49 3.163 -23.663 -22.183 152 2HG PRO 49 1HG PRO 49 3.577 -21.954 -22.037 153 1HD PRO 49 2HD PRO 49 4.220 -24.146 -20.216 154 2HD PRO 49 1HD PRO 49 4.809 -22.464 -20.186 155 H CYS 50 H CYS 50 -0.966 -22.408 -19.373 156 HA CYS 50 HA CYS 50 -1.334 -24.773 -17.743 157 1HB CYS 50 2HB CYS 50 -3.724 -24.269 -18.184 158 2HB CYS 50 1HB CYS 50 -2.834 -22.807 -17.765 159 H GLN 51 H GLN 51 -3.721 -25.543 -19.643 160 HA GLN 51 HA GLN 51 -2.117 -26.982 -21.716 161 1HB GLN 51 2HB GLN 51 -2.533 -28.275 -19.539 162 2HB GLN 51 1HB GLN 51 -4.235 -28.292 -20.002 163 1HG GLN 51 2HG GLN 51 -3.626 -30.235 -21.050 164 2HG GLN 51 1HG GLN 51 -3.132 -29.119 -22.325 165 1HE2 GLN 51 2HE2 GLN 51 0.146 -30.380 -22.126 166 2HE2 GLN 51 1HE2 GLN 51 -1.171 -29.944 -23.103 167 H LYS 52 H LYS 52 -5.366 -26.087 -20.538 168 HA LYS 52 HA LYS 52 -6.878 -26.892 -22.800 169 1HB LYS 52 2HB LYS 52 -7.096 -24.922 -20.573 170 2HB LYS 52 1HB LYS 52 -8.229 -24.741 -21.915 171 1HG LYS 52 2HG LYS 52 -7.838 -27.498 -20.870 172 2HG LYS 52 1HG LYS 52 -8.711 -26.376 -19.827 173 1HD LYS 52 2HD LYS 52 -10.411 -26.025 -21.419 174 2HD LYS 52 1HD LYS 52 -9.420 -26.635 -22.744 175 1HE LYS 52 2HE LYS 52 -9.504 -28.915 -21.721 176 2HE LYS 52 1HE LYS 52 -10.601 -28.281 -20.479 177 1HZ LYS 52 3HZ LYS 52 -11.122 -27.841 -23.354 178 2HZ LYS 52 2HZ LYS 52 -11.645 -29.261 -22.582 179 3HZ LYS 52 1HZ LYS 52 -12.209 -27.749 -22.056 180 H CYS 53 H CYS 53 -4.782 -24.123 -22.351 181 HA CYS 53 HA CYS 53 -5.757 -22.833 -24.844 182 1HB CYS 53 2HB CYS 53 -3.996 -22.217 -22.519 183 2HB CYS 53 1HB CYS 53 -3.842 -21.247 -23.977 184 H VAL 54 H VAL 54 -2.871 -24.372 -23.456 185 HA VAL 54 HA VAL 54 -1.133 -23.907 -25.685 186 HB VAL 54 HB VAL 54 -1.040 -26.342 -23.882 187 1HG1 VAL 54 3HG1 VAL 54 0.635 -25.463 -25.855 188 2HG1 VAL 54 2HG1 VAL 54 1.354 -24.701 -24.433 189 3HG1 VAL 54 1HG1 VAL 54 1.150 -26.453 -24.489 190 1HG2 VAL 54 1HG2 VAL 54 -0.425 -23.466 -23.178 191 2HG2 VAL 54 3HG2 VAL 54 -1.417 -24.616 -22.279 192 3HG2 VAL 54 2HG2 VAL 54 0.331 -24.816 -22.336 193 H THR 55 H THR 55 -3.511 -26.333 -24.881 194 HA THR 55 HA THR 55 -2.917 -28.161 -27.038 195 HB THR 55 HB THR 55 -4.075 -28.680 -24.892 196 HG1 THR 55 HG1 THR 55 -5.334 -30.147 -25.830 197 1HG2 THR 55 1HG2 THR 55 -5.390 -26.481 -25.010 198 2HG2 THR 55 3HG2 THR 55 -6.506 -27.346 -26.063 199 3HG2 THR 55 2HG2 THR 55 -6.246 -27.896 -24.407 200 H SER 56 H SER 56 -5.199 -25.464 -26.591 201 HA SER 56 HA SER 56 -6.383 -25.886 -29.258 202 1HB SER 56 2HB SER 56 -6.742 -24.001 -26.934 203 2HB SER 56 1HB SER 56 -7.504 -23.648 -28.482 204 HG SER 56 HG SER 56 -8.669 -25.497 -28.329 205 H ASN 57 H ASN 57 -5.399 -22.750 -27.962 206 HA ASN 57 HA ASN 57 -3.041 -22.288 -29.394 207 1HB ASN 57 2HB ASN 57 -4.079 -20.952 -31.329 208 2HB ASN 57 1HB ASN 57 -4.176 -22.701 -31.443 209 1HD2 ASN 57 2HD2 ASN 57 -7.683 -22.622 -31.669 210 2HD2 ASN 57 1HD2 ASN 57 -6.228 -23.416 -32.037 211 H ALA 58 H ALA 58 -4.286 -21.492 -26.980 212 HA ALA 58 HA ALA 58 -4.626 -18.536 -27.385 213 1HB ALA 58 3HB ALA 58 -6.020 -20.603 -25.856 214 2HB ALA 58 2HB ALA 58 -5.576 -19.220 -24.856 215 3HB ALA 58 1HB ALA 58 -6.563 -18.985 -26.298 216 H ILE 59 H ILE 59 -3.524 -17.143 -25.894 217 HA ILE 59 HA ILE 59 -0.961 -18.109 -24.949 218 HB ILE 59 HB ILE 59 -2.440 -15.514 -24.429 219 1HG1 ILE 59 2HG1 ILE 59 -2.243 -16.047 -26.844 220 2HG1 ILE 59 1HG1 ILE 59 -1.233 -14.669 -26.402 221 1HG2 ILE 59 1HG2 ILE 59 0.374 -16.463 -24.027 222 2HG2 ILE 59 3HG2 ILE 59 0.097 -14.773 -24.451 223 3HG2 ILE 59 2HG2 ILE 59 -0.621 -15.444 -22.985 224 1HD1 ILE 59 1HD1 ILE 59 0.708 -16.237 -26.174 225 2HD1 ILE 59 3HD1 ILE 59 -0.321 -17.537 -26.776 226 3HD1 ILE 59 2HD1 ILE 59 0.066 -16.165 -27.814 227 H CYS 60 H CYS 60 -0.433 -18.694 -22.908 228 HA CYS 60 HA CYS 60 -2.610 -18.754 -20.860 229 1HB CYS 60 2HB CYS 60 -0.071 -20.393 -20.826 230 2HB CYS 60 1HB CYS 60 -1.625 -20.761 -20.094 231 H GLU 61 H GLU 61 -2.330 -17.115 -19.377 232 HA GLU 61 HA GLU 61 0.331 -16.783 -18.121 233 1HB GLU 61 2HB GLU 61 -1.035 -14.856 -19.956 234 2HB GLU 61 1HB GLU 61 -0.132 -14.200 -18.592 235 1HG GLU 61 2HG GLU 61 1.801 -15.707 -19.342 236 2HG GLU 61 1HG GLU 61 0.897 -15.941 -20.838 237 H TYR 62 H TYR 62 0.177 -15.803 -16.051 238 HA TYR 62 HA TYR 62 -2.619 -15.350 -15.061 239 1HB TYR 62 2HB TYR 62 -0.143 -16.349 -13.613 240 2HB TYR 62 1HB TYR 62 -1.757 -16.212 -12.918 241 HD1 TYR 62 HD2 TYR 62 -3.364 -17.143 -15.341 242 HD2 TYR 62 HD1 TYR 62 0.199 -18.717 -13.475 243 HE1 TYR 62 HE2 TYR 62 -3.921 -19.418 -16.190 244 HE2 TYR 62 HE1 TYR 62 -0.365 -20.993 -14.322 245 HH TYR 62 HH TYR 62 -1.800 -21.882 -16.394 246 H LEU 63 H LEU 63 -0.115 -13.567 -16.048 247 HA LEU 63 HA LEU 63 -0.375 -11.604 -13.794 248 1HB LEU 63 2HB LEU 63 2.008 -12.371 -15.510 249 2HB LEU 63 1HB LEU 63 2.003 -11.004 -14.394 250 HG LEU 63 HG LEU 63 1.245 -13.764 -13.454 251 1HD1 LEU 63 1HD1 LEU 63 3.947 -12.669 -14.090 252 2HD1 LEU 63 3HD1 LEU 63 3.775 -13.591 -12.596 253 3HD1 LEU 63 2HD1 LEU 63 3.370 -14.335 -14.143 254 1HD2 LEU 63 1HD2 LEU 63 0.766 -11.767 -12.038 255 2HD2 LEU 63 3HD2 LEU 63 1.939 -12.850 -11.290 256 3HD2 LEU 63 2HD2 LEU 63 2.483 -11.364 -12.068 257 H GLU 64 H GLU 64 0.243 -9.324 -14.622 258 HA GLU 64 HA GLU 64 -1.501 -8.451 -16.652 259 1HB GLU 64 2HB GLU 64 0.708 -7.444 -15.021 260 2HB GLU 64 1HB GLU 64 0.590 -6.619 -16.576 261 1HG GLU 64 2HG GLU 64 -1.753 -6.093 -16.172 262 2HG GLU 64 1HG GLU 64 -1.737 -7.027 -14.675 263 HA PRO 65 HA PRO 65 0.964 -10.170 -20.096 264 1HB PRO 65 2HB PRO 65 -0.995 -9.092 -21.905 265 2HB PRO 65 1HB PRO 65 -0.751 -10.779 -21.444 266 1HG PRO 65 2HG PRO 65 -2.918 -9.063 -20.708 267 2HG PRO 65 1HG PRO 65 -2.645 -10.736 -20.210 268 1HD PRO 65 2HD PRO 65 -2.371 -8.335 -18.598 269 2HD PRO 65 1HD PRO 65 -2.150 -10.031 -18.099 270 H SER 66 H SER 66 2.504 -8.344 -19.524 271 HA SER 66 HA SER 66 3.691 -6.380 -20.103 272 1HB SER 66 2HB SER 66 3.903 -7.594 -22.180 273 2HB SER 66 1HB SER 66 2.265 -7.162 -22.661 274 HG SER 66 HG SER 66 4.606 -5.641 -22.639 275 H LYS 67 H LYS 67 3.089 -4.206 -21.666 276 HA LYS 67 HA LYS 67 1.327 -2.638 -20.108 277 1HB LYS 67 2HB LYS 67 2.511 -2.509 -22.866 278 2HB LYS 67 1HB LYS 67 1.329 -1.289 -22.388 279 1HG LYS 67 2HG LYS 67 2.685 -0.462 -20.662 280 2HG LYS 67 1HG LYS 67 3.644 -1.940 -20.579 281 1HD LYS 67 2HD LYS 67 3.762 -0.689 -23.219 282 2HD LYS 67 1HD LYS 67 4.353 0.376 -21.943 283 1HE LYS 67 2HE LYS 67 5.840 -1.468 -21.136 284 2HE LYS 67 1HE LYS 67 5.309 -2.452 -22.513 285 1HZ LYS 67 1HZ LYS 67 5.918 -0.468 -23.927 286 2HZ LYS 67 3HZ LYS 67 6.732 0.146 -22.572 287 3HZ LYS 67 2HZ LYS 67 7.221 -1.330 -23.257 288 H LYS 68 H LYS 68 -0.744 -3.536 -19.794 289 HA LYS 68 HA LYS 68 -2.581 -3.382 -22.104 290 1HB LYS 68 2HB LYS 68 -1.649 -5.635 -22.257 291 2HB LYS 68 1HB LYS 68 -1.997 -5.924 -20.553 292 1HG LYS 68 2HG LYS 68 -4.103 -6.547 -21.038 293 2HG LYS 68 1HG LYS 68 -4.389 -5.034 -21.898 294 1HD LYS 68 2HD LYS 68 -3.385 -5.954 -23.927 295 2HD LYS 68 1HD LYS 68 -2.987 -7.448 -23.079 296 1HE LYS 68 2HE LYS 68 -5.763 -6.982 -22.652 297 2HE LYS 68 1HE LYS 68 -5.452 -6.765 -24.386 298 1HZ LYS 68 1HZ LYS 68 -4.416 -9.035 -22.774 299 2HZ LYS 68 3HZ LYS 68 -5.805 -9.120 -23.745 300 3HZ LYS 68 2HZ LYS 68 -4.288 -8.837 -24.457 301 H ILE 69 H ILE 69 -4.000 -1.960 -21.079 302 HA ILE 69 HA ILE 69 -4.660 -2.232 -18.241 303 HB ILE 69 HB ILE 69 -4.477 -0.095 -19.613 304 1HG1 ILE 69 2HG1 ILE 69 -6.837 0.706 -18.625 305 2HG1 ILE 69 1HG1 ILE 69 -6.726 -0.856 -17.814 306 1HG2 ILE 69 3HG2 ILE 69 -7.136 -1.088 -20.670 307 2HG2 ILE 69 2HG2 ILE 69 -6.531 0.557 -20.870 308 3HG2 ILE 69 1HG2 ILE 69 -5.673 -0.794 -21.610 309 1HD1 ILE 69 1HD1 ILE 69 -4.217 0.027 -17.386 310 2HD1 ILE 69 3HD1 ILE 69 -5.052 1.578 -17.472 311 3HD1 ILE 69 2HD1 ILE 69 -5.546 0.376 -16.280 312 H VAL 70 H VAL 70 -6.736 -2.858 -17.417 313 HA VAL 70 HA VAL 70 -8.749 -3.922 -19.305 314 HB VAL 70 HB VAL 70 -7.668 -5.711 -17.117 315 1HG1 VAL 70 2HG1 VAL 70 -9.912 -6.083 -18.249 316 2HG1 VAL 70 1HG1 VAL 70 -9.019 -6.360 -19.746 317 3HG1 VAL 70 3HG1 VAL 70 -8.783 -7.435 -18.367 318 1HG2 VAL 70 3HG2 VAL 70 -6.738 -5.560 -20.007 319 2HG2 VAL 70 2HG2 VAL 70 -5.753 -5.246 -18.578 320 3HG2 VAL 70 1HG2 VAL 70 -6.349 -6.875 -18.897 321 H VAL 71 H VAL 71 -10.336 -2.560 -18.455 322 HA VAL 71 HA VAL 71 -11.270 -3.177 -15.724 323 HB VAL 71 HB VAL 71 -10.331 -0.438 -16.636 324 1HG1 VAL 71 1HG1 VAL 71 -12.416 -1.124 -14.813 325 2HG1 VAL 71 3HG1 VAL 71 -11.048 -0.541 -13.865 326 3HG1 VAL 71 2HG1 VAL 71 -11.736 0.471 -15.134 327 1HG2 VAL 71 3HG2 VAL 71 -9.392 -2.434 -14.566 328 2HG2 VAL 71 2HG2 VAL 71 -8.466 -1.716 -15.883 329 3HG2 VAL 71 1HG2 VAL 71 -8.934 -0.732 -14.497 330 H SER 72 H SER 72 -12.016 -0.221 -17.520 331 HA SER 72 HA SER 72 -14.507 -1.363 -18.628 332 1HB SER 72 2HB SER 72 -15.064 -0.894 -16.298 333 2HB SER 72 1HB SER 72 -14.382 0.724 -16.429 334 HG SER 72 HG SER 72 -16.567 0.914 -16.726 335 H THR 73 H THR 73 -14.849 -0.339 -20.577 336 HA THR 73 HA THR 73 -13.201 1.833 -21.481 337 HB THR 73 HB THR 73 -14.294 0.101 -22.898 338 HG1 THR 73 HG1 THR 73 -15.208 1.689 -24.423 339 1HG2 THR 73 3HG2 THR 73 -16.464 0.303 -21.468 340 2HG2 THR 73 2HG2 THR 73 -16.872 1.613 -22.577 341 3HG2 THR 73 1HG2 THR 73 -16.613 -0.019 -23.196 342 H LYS 74 H LYS 74 -16.425 1.696 -20.022 343 HA LYS 74 HA LYS 74 -17.381 4.291 -20.567 344 1HB LYS 74 2HB LYS 74 -18.032 2.101 -18.970 345 2HB LYS 74 1HB LYS 74 -17.780 3.401 -17.805 346 1HG LYS 74 2HG LYS 74 -19.469 3.798 -20.275 347 2HG LYS 74 1HG LYS 74 -20.151 3.159 -18.779 348 1HD LYS 74 2HD LYS 74 -18.479 5.555 -18.408 349 2HD LYS 74 1HD LYS 74 -19.931 5.832 -19.371 350 1HE LYS 74 2HE LYS 74 -21.135 4.472 -17.470 351 2HE LYS 74 1HE LYS 74 -19.711 4.921 -16.511 352 1HZ LYS 74 3HZ LYS 74 -21.177 6.894 -18.158 353 2HZ LYS 74 2HZ LYS 74 -21.616 6.577 -16.548 354 3HZ LYS 74 1HZ LYS 74 -20.072 7.187 -16.906 355 H TYR 75 H TYR 75 -15.418 3.248 -17.758 356 HA TYR 75 HA TYR 75 -14.965 5.811 -16.627 357 1HB TYR 75 2HB TYR 75 -14.173 4.222 -15.196 358 2HB TYR 75 1HB TYR 75 -13.950 3.062 -16.497 359 HD1 TYR 75 HD1 TYR 75 -12.388 6.323 -15.399 360 HD2 TYR 75 HD2 TYR 75 -11.768 2.278 -16.784 361 HE1 TYR 75 HE1 TYR 75 -9.923 6.651 -15.263 362 HE2 TYR 75 HE2 TYR 75 -9.306 2.608 -16.643 363 HH TYR 75 HH TYR 75 -7.817 4.695 -14.954 364 H LEU 76 H LEU 76 -13.001 3.966 -18.968 365 HA LEU 76 HA LEU 76 -10.908 5.766 -19.428 366 1HB LEU 76 2HB LEU 76 -12.187 3.494 -20.666 367 2HB LEU 76 1HB LEU 76 -11.701 4.645 -21.905 368 HG LEU 76 HG LEU 76 -9.881 3.064 -21.426 369 1HD1 LEU 76 3HD1 LEU 76 -9.657 5.729 -21.736 370 2HD1 LEU 76 2HD1 LEU 76 -8.904 5.570 -20.151 371 3HD1 LEU 76 1HD1 LEU 76 -8.253 4.684 -21.528 372 1HD2 LEU 76 3HD2 LEU 76 -10.632 2.739 -19.008 373 2HD2 LEU 76 2HD2 LEU 76 -8.891 2.893 -19.249 374 3HD2 LEU 76 1HD2 LEU 76 -9.824 4.264 -18.648 375 H GLN 77 H GLN 77 -14.159 5.727 -20.902 376 HA GLN 77 HA GLN 77 -13.733 7.913 -22.713 377 1HB GLN 77 2HB GLN 77 -15.831 6.156 -21.791 378 2HB GLN 77 1HB GLN 77 -16.443 7.806 -21.896 379 1HG GLN 77 2HG GLN 77 -16.760 7.168 -24.089 380 2HG GLN 77 1HG GLN 77 -15.098 7.752 -24.205 381 1HE2 GLN 77 2HE2 GLN 77 -13.708 4.416 -24.363 382 2HE2 GLN 77 1HE2 GLN 77 -13.372 5.966 -23.758 383 H GLN 78 H GLN 78 -15.227 7.806 -19.452 384 HA GLN 78 HA GLN 78 -15.748 10.611 -19.244 385 1HB GLN 78 2HB GLN 78 -16.565 8.622 -17.836 386 2HB GLN 78 1HB GLN 78 -15.019 8.724 -16.992 387 1HG GLN 78 2HG GLN 78 -16.433 11.300 -17.296 388 2HG GLN 78 1HG GLN 78 -17.248 10.126 -16.262 389 1HE2 GLN 78 2HE2 GLN 78 -14.621 12.130 -14.342 390 2HE2 GLN 78 1HE2 GLN 78 -15.839 12.628 -15.415 391 H LEU 79 H LEU 79 -12.819 8.749 -18.943 392 HA LEU 79 HA LEU 79 -11.323 10.739 -17.414 393 1HB LEU 79 2HB LEU 79 -11.086 8.047 -18.336 394 2HB LEU 79 1HB LEU 79 -9.685 8.936 -18.930 395 HG LEU 79 HG LEU 79 -9.332 7.931 -16.656 396 1HD1 LEU 79 2HD1 LEU 79 -9.174 10.864 -17.221 397 2HD1 LEU 79 1HD1 LEU 79 -8.775 10.302 -15.598 398 3HD1 LEU 79 3HD1 LEU 79 -7.874 9.697 -16.988 399 1HD2 LEU 79 3HD2 LEU 79 -11.817 8.475 -16.038 400 2HD2 LEU 79 2HD2 LEU 79 -10.583 8.616 -14.786 401 3HD2 LEU 79 1HD2 LEU 79 -11.183 10.061 -15.600 402 H GLN 80 H GLN 80 -11.645 9.834 -20.829 403 HA GLN 80 HA GLN 80 -9.603 11.691 -21.749 404 1HB GLN 80 2HB GLN 80 -11.233 9.551 -22.705 405 2HB GLN 80 1HB GLN 80 -11.491 10.936 -23.768 406 1HG GLN 80 2HG GLN 80 -9.574 10.245 -24.779 407 2HG GLN 80 1HG GLN 80 -8.772 11.014 -23.412 408 1HE2 GLN 80 2HE2 GLN 80 -8.876 7.556 -21.778 409 2HE2 GLN 80 1HE2 GLN 80 -9.790 8.953 -21.475 410 H LYS 81 H LYS 81 -13.135 11.746 -21.391 411 HA LYS 81 HA LYS 81 -13.463 14.320 -22.734 412 1HB LYS 81 2HB LYS 81 -15.056 12.225 -21.464 413 2HB LYS 81 1HB LYS 81 -15.640 13.832 -21.032 414 1HG LYS 81 2HG LYS 81 -15.955 14.442 -23.317 415 2HG LYS 81 1HG LYS 81 -15.036 13.049 -23.889 416 1HD LYS 81 2HD LYS 81 -16.752 11.522 -23.139 417 2HD LYS 81 1HD LYS 81 -17.624 12.823 -22.329 418 1HE LYS 81 2HE LYS 81 -18.355 13.770 -24.357 419 2HE LYS 81 1HE LYS 81 -17.076 12.973 -25.295 420 1HZ LYS 81 3HZ LYS 81 -18.065 10.828 -24.728 421 2HZ LYS 81 2HZ LYS 81 -19.317 11.614 -23.890 422 3HZ LYS 81 1HZ LYS 81 -19.166 11.801 -25.573 423 H ASP 82 H ASP 82 -13.324 13.218 -19.331 424 HA ASP 82 HA ASP 82 -13.778 15.690 -18.034 425 1HB ASP 82 2HB ASP 82 -13.534 13.452 -16.962 426 2HB ASP 82 1HB ASP 82 -11.812 13.475 -17.342 427 H LEU 83 H LEU 83 -10.778 14.306 -19.360 428 HA LEU 83 HA LEU 83 -8.984 16.393 -18.630 429 1HB LEU 83 2HB LEU 83 -8.327 14.183 -19.488 430 2HB LEU 83 1HB LEU 83 -9.079 14.552 -21.042 431 HG LEU 83 HG LEU 83 -7.097 16.525 -20.050 432 1HD1 LEU 83 3HD1 LEU 83 -6.282 14.028 -19.663 433 2HD1 LEU 83 2HD1 LEU 83 -6.020 14.081 -21.405 434 3HD1 LEU 83 1HD1 LEU 83 -5.197 15.233 -20.354 435 1HD2 LEU 83 3HD2 LEU 83 -8.231 15.509 -22.573 436 2HD2 LEU 83 2HD2 LEU 83 -7.618 17.116 -22.184 437 3HD2 LEU 83 1HD2 LEU 83 -6.498 15.833 -22.645 438 H ASN 84 H ASN 84 -11.045 15.965 -21.522 439 HA ASN 84 HA ASN 84 -10.167 18.328 -22.901 440 1HB ASN 84 2HB ASN 84 -11.889 16.169 -23.273 441 2HB ASN 84 1HB ASN 84 -12.964 17.563 -23.274 442 1HD2 ASN 84 2HD2 ASN 84 -10.109 17.262 -26.221 443 2HD2 ASN 84 1HD2 ASN 84 -9.890 16.419 -24.764 444 H ASP 85 H ASP 85 -12.628 17.713 -20.438 445 HA ASP 85 HA ASP 85 -13.938 20.272 -20.563 446 1HB ASP 85 2HB ASP 85 -14.333 17.908 -19.291 447 2HB ASP 85 1HB ASP 85 -13.649 18.847 -17.963 448 H LYS 86 H LYS 86 -10.864 19.254 -19.330 449 HA LYS 86 HA LYS 86 -10.518 21.529 -17.499 450 1HB LYS 86 2HB LYS 86 -8.577 19.526 -18.719 451 2HB LYS 86 1HB LYS 86 -8.216 20.602 -17.370 452 1HG LYS 86 2HG LYS 86 -10.509 18.634 -17.296 453 2HG LYS 86 1HG LYS 86 -8.888 18.218 -16.739 454 1HD LYS 86 2HD LYS 86 -9.034 20.339 -15.285 455 2HD LYS 86 1HD LYS 86 -10.763 20.312 -15.636 456 1HE LYS 86 2HE LYS 86 -10.766 17.889 -14.814 457 2HE LYS 86 1HE LYS 86 -9.133 18.204 -14.192 458 1HZ LYS 86 3HZ LYS 86 -11.380 20.048 -13.646 459 2HZ LYS 86 2HZ LYS 86 -11.078 18.710 -12.644 460 3HZ LYS 86 1HZ LYS 86 -9.899 19.919 -12.829 461 H THR 87 H THR 87 -9.889 20.640 -20.813 462 HA THR 87 HA THR 87 -8.180 22.907 -21.467 463 HB THR 87 HB THR 87 -9.717 20.745 -22.939 464 HG1 THR 87 HG1 THR 87 -7.485 20.244 -23.505 465 1HG2 THR 87 3HG2 THR 87 -8.288 23.142 -24.052 466 2HG2 THR 87 2HG2 THR 87 -8.289 21.619 -24.943 467 3HG2 THR 87 1HG2 THR 87 -9.813 22.419 -24.562 468 H GLU 88 H GLU 88 -11.613 22.016 -21.910 469 HA GLU 88 HA GLU 88 -12.443 24.422 -23.236 470 1HB GLU 88 2HB GLU 88 -13.802 22.345 -21.496 471 2HB GLU 88 1HB GLU 88 -14.698 23.657 -22.263 472 1HG GLU 88 2HG GLU 88 -12.867 21.888 -23.877 473 2HG GLU 88 1HG GLU 88 -14.528 21.400 -23.535 474 H GLU 89 H GLU 89 -12.014 23.505 -19.860 475 HA GLU 89 HA GLU 89 -13.229 25.869 -18.697 476 1HB GLU 89 2HB GLU 89 -11.719 23.478 -17.917 477 2HB GLU 89 1HB GLU 89 -11.308 24.886 -16.938 478 1HG GLU 89 2HG GLU 89 -13.879 25.239 -16.768 479 2HG GLU 89 1HG GLU 89 -13.989 23.556 -17.286 480 H ASN 90 H ASN 90 -9.850 24.873 -19.304 481 HA ASN 90 HA ASN 90 -8.511 27.221 -18.482 482 1HB ASN 90 2HB ASN 90 -8.050 24.824 -20.023 483 2HB ASN 90 1HB ASN 90 -7.287 26.188 -20.838 484 1HD2 ASN 90 2HD2 ASN 90 -5.345 24.636 -17.793 485 2HD2 ASN 90 1HD2 ASN 90 -6.447 23.825 -18.796 486 H ASN 91 H ASN 91 -10.430 26.531 -21.320 487 HA ASN 91 HA ASN 91 -9.592 28.855 -22.875 488 1HB ASN 91 2HB ASN 91 -11.428 26.548 -23.011 489 2HB ASN 91 1HB ASN 91 -12.034 27.983 -23.834 490 1HD2 ASN 91 2HD2 ASN 91 -8.777 26.011 -25.322 491 2HD2 ASN 91 1HD2 ASN 91 -9.393 25.610 -23.791 492 H ARG 92 H ARG 92 -12.223 28.037 -20.652 493 HA ARG 92 HA ARG 92 -13.651 30.570 -21.043 494 1HB ARG 92 2HB ARG 92 -14.525 28.230 -20.379 495 2HB ARG 92 1HB ARG 92 -13.903 28.600 -18.771 496 1HG ARG 92 2HG ARG 92 -15.242 30.805 -18.979 497 2HG ARG 92 1HG ARG 92 -16.091 30.000 -20.301 498 1HD ARG 92 2HD ARG 92 -16.532 28.070 -18.684 499 2HD ARG 92 1HD ARG 92 -15.966 29.150 -17.394 500 HE ARG 92 HE ARG 92 -17.829 30.607 -18.957 501 1HH1 ARG 92 1HH2 ARG 92 -18.033 30.273 -15.986 502 2HH1 ARG 92 2HH2 ARG 92 -19.504 29.374 -15.821 503 1HH2 ARG 92 2HH1 ARG 92 -19.586 28.395 -19.148 504 2HH2 ARG 92 1HH1 ARG 92 -20.385 28.310 -17.613 505 H LEU 93 H LEU 93 -12.057 29.069 -18.206 506 HA LEU 93 HA LEU 93 -11.990 31.224 -16.445 507 1HB LEU 93 2HB LEU 93 -11.229 29.000 -15.872 508 2HB LEU 93 1HB LEU 93 -9.950 29.070 -17.084 509 HG LEU 93 HG LEU 93 -10.003 31.174 -14.956 510 1HD1 LEU 93 3HD1 LEU 93 -10.104 28.480 -14.263 511 2HD1 LEU 93 2HD1 LEU 93 -8.379 28.849 -14.251 512 3HD1 LEU 93 1HD1 LEU 93 -9.487 29.784 -13.248 513 1HD2 LEU 93 3HD2 LEU 93 -8.207 30.111 -16.985 514 2HD2 LEU 93 2HD2 LEU 93 -8.097 31.625 -16.087 515 3HD2 LEU 93 1HD2 LEU 93 -7.432 30.142 -15.402 516 H LYS 94 H LYS 94 -9.936 30.636 -19.257 517 HA LYS 94 HA LYS 94 -8.059 32.784 -18.757 518 1HB LYS 94 2HB LYS 94 -7.574 30.868 -20.206 519 2HB LYS 94 1HB LYS 94 -8.926 31.289 -21.256 520 1HG LYS 94 2HG LYS 94 -7.851 33.382 -21.882 521 2HG LYS 94 1HG LYS 94 -6.539 33.084 -20.741 522 1HD LYS 94 2HD LYS 94 -6.114 30.909 -22.033 523 2HD LYS 94 1HD LYS 94 -7.177 31.570 -23.277 524 1HE LYS 94 2HE LYS 94 -5.712 33.588 -23.423 525 2HE LYS 94 1HE LYS 94 -4.611 32.836 -22.250 526 1HZ LYS 94 2HZ LYS 94 -4.706 30.828 -23.792 527 2HZ LYS 94 1HZ LYS 94 -5.333 31.892 -24.959 528 3HZ LYS 94 3HZ LYS 94 -3.788 32.159 -24.314 529 H ALA 95 H ALA 95 -11.086 32.468 -20.621 530 HA ALA 95 HA ALA 95 -10.954 35.367 -21.309 531 1HB ALA 95 2HB ALA 95 -11.429 33.678 -23.058 532 2HB ALA 95 1HB ALA 95 -12.834 33.132 -22.144 533 3HB ALA 95 3HB ALA 95 -12.807 34.754 -22.834 534 H LEU 96 H LEU 96 -11.735 33.957 -18.601 535 HA LEU 96 HA LEU 96 -14.413 35.261 -18.281 536 1HB LEU 96 2HB LEU 96 -13.923 32.736 -17.862 537 2HB LEU 96 1HB LEU 96 -13.107 33.292 -16.400 538 HG LEU 96 HG LEU 96 -15.707 34.563 -16.731 539 1HD1 LEU 96 3HD1 LEU 96 -15.515 31.547 -16.728 540 2HD1 LEU 96 2HD1 LEU 96 -16.926 32.390 -16.086 541 3HD1 LEU 96 1HD1 LEU 96 -16.482 32.577 -17.784 542 1HD2 LEU 96 2HD2 LEU 96 -14.202 34.371 -14.671 543 2HD2 LEU 96 1HD2 LEU 96 -15.907 33.998 -14.414 544 3HD2 LEU 96 3HD2 LEU 96 -14.731 32.692 -14.561 545 H LEU 97 H LEU 97 -11.089 35.174 -17.161 546 HA LEU 97 HA LEU 97 -11.728 37.369 -15.233 547 1HB LEU 97 2HB LEU 97 -9.942 36.457 -13.859 548 2HB LEU 97 1HB LEU 97 -11.059 35.160 -14.263 549 HG LEU 97 HG LEU 97 -9.392 34.893 -16.337 550 1HD1 LEU 97 2HD1 LEU 97 -7.906 36.435 -14.249 551 2HD1 LEU 97 1HD1 LEU 97 -7.044 35.170 -15.125 552 3HD1 LEU 97 3HD1 LEU 97 -7.773 36.514 -16.005 553 1HD2 LEU 97 2HD2 LEU 97 -8.933 33.881 -13.515 554 2HD2 LEU 97 1HD2 LEU 97 -9.906 33.109 -14.767 555 3HD2 LEU 97 3HD2 LEU 97 -8.154 33.205 -14.946 556 H LEU 98 H LEU 98 -9.906 36.451 -18.027 557 HA LEU 98 HA LEU 98 -7.620 38.126 -17.758 558 1HB LEU 98 2HB LEU 98 -7.813 36.384 -19.431 559 2HB LEU 98 1HB LEU 98 -9.237 37.149 -20.132 560 HG LEU 98 HG LEU 98 -7.023 39.005 -19.978 561 1HD1 LEU 98 2HD1 LEU 98 -5.816 36.751 -20.216 562 2HD1 LEU 98 1HD1 LEU 98 -6.570 36.639 -21.805 563 3HD1 LEU 98 3HD1 LEU 98 -5.460 37.962 -21.446 564 1HD2 LEU 98 3HD2 LEU 98 -8.906 37.907 -22.049 565 2HD2 LEU 98 2HD2 LEU 98 -8.748 39.561 -21.458 566 3HD2 LEU 98 1HD2 LEU 98 -7.538 38.899 -22.555 567 H GLU 99 H GLU 99 -10.916 38.767 -18.821 568 HA GLU 99 HA GLU 99 -10.321 41.507 -19.687 569 1HB GLU 99 2HB GLU 99 -12.309 39.550 -20.077 570 2HB GLU 99 1HB GLU 99 -13.116 40.874 -19.237 571 1HG GLU 99 2HG GLU 99 -11.850 42.384 -20.970 572 2HG GLU 99 1HG GLU 99 -11.733 40.893 -21.904 573 H ARG 100 HN ARG 100 -11.645 39.897 -16.834 574 HA ARG 100 HA ARG 100 -12.377 42.472 -15.571 575 1HB ARG 100 2HB ARG 100 -13.508 40.060 -15.514 576 2HB ARG 100 1HB ARG 100 -12.382 39.819 -14.178 577 1HG ARG 100 2HG ARG 100 -13.744 42.406 -14.048 578 2HG ARG 100 1HG ARG 100 -14.865 41.045 -13.991 579 1HD ARG 100 2HD ARG 100 -12.493 40.600 -12.325 580 2HD ARG 100 1HD ARG 100 -13.437 42.015 -11.818 581 HE ARG 100 HE ARG 100 -15.467 40.403 -12.027 582 1HH1 ARG 100 1HH1 ARG 100 -14.349 37.883 -12.691 583 2HH1 ARG 100 2HH1 ARG 100 -13.909 37.167 -11.176 584 1HH2 ARG 100 1HH2 ARG 100 -13.996 40.163 -9.432 585 2HH2 ARG 100 2HH2 ARG 100 -13.710 38.458 -9.331 586 1H MET 30 1H MET 30 -38.776 -13.232 -25.479 587 2H MET 30 3H MET 30 -39.125 -14.812 -25.986 588 3H MET 30 2H MET 30 -38.426 -13.708 -27.071 589 HA MET 30 HA MET 30 -40.685 -13.777 -27.683 590 1HB MET 30 2HB MET 30 -40.948 -13.898 -24.687 591 2HB MET 30 1HB MET 30 -42.328 -13.405 -25.668 592 1HG MET 30 2HG MET 30 -42.574 -15.486 -26.621 593 2HG MET 30 1HG MET 30 -40.851 -15.849 -26.526 594 1HE MET 30 3HE MET 30 -39.602 -16.320 -24.825 595 2HE MET 30 2HE MET 30 -40.006 -16.877 -23.202 596 3HE MET 30 1HE MET 30 -40.203 -17.965 -24.574 597 H SER 31 H SER 31 -40.263 -11.744 -24.756 598 HA SER 31 HA SER 31 -41.179 -9.373 -26.262 599 1HB SER 31 2HB SER 31 -41.677 -10.181 -23.799 600 2HB SER 31 1HB SER 31 -40.146 -9.387 -23.438 601 HG SER 31 HG SER 31 -42.569 -8.315 -24.367 602 H VAL 32 H VAL 32 -38.796 -10.237 -27.376 603 HA VAL 32 HA VAL 32 -36.579 -8.705 -26.137 604 HB VAL 32 HB VAL 32 -36.811 -10.512 -28.564 605 1HG1 VAL 32 3HG1 VAL 32 -34.979 -8.829 -28.754 606 2HG1 VAL 32 2HG1 VAL 32 -34.333 -9.398 -27.215 607 3HG1 VAL 32 1HG1 VAL 32 -34.368 -10.477 -28.609 608 1HG2 VAL 32 2HG2 VAL 32 -36.419 -10.943 -25.695 609 2HG2 VAL 32 1HG2 VAL 32 -36.812 -12.109 -26.958 610 3HG2 VAL 32 3HG2 VAL 32 -35.132 -11.659 -26.666 611 H ALA 33 H ALA 33 -36.390 -6.570 -26.683 612 HA ALA 33 HA ALA 33 -36.450 -5.723 -29.479 613 1HB ALA 33 1HB ALA 33 -38.875 -5.973 -28.705 614 2HB ALA 33 3HB ALA 33 -38.565 -4.628 -27.607 615 3HB ALA 33 2HB ALA 33 -38.443 -4.390 -29.350 616 H CYS 34 H CYS 34 -36.079 -3.277 -29.588 617 HA CYS 34 HA CYS 34 -33.985 -2.499 -27.764 618 1HB CYS 34 2HB CYS 34 -35.637 -0.869 -29.718 619 2HB CYS 34 1HB CYS 34 -34.059 -0.422 -29.077 620 H LEU 35 H LEU 35 -34.232 -0.115 -26.788 621 HA LEU 35 HA LEU 35 -36.134 -0.249 -24.654 622 1HB LEU 35 2HB LEU 35 -34.083 1.568 -25.738 623 2HB LEU 35 1HB LEU 35 -35.357 2.379 -24.831 624 HG LEU 35 HG LEU 35 -34.379 -0.081 -23.552 625 1HD1 LEU 35 2HD1 LEU 35 -32.538 2.254 -24.098 626 2HD1 LEU 35 1HD1 LEU 35 -32.304 1.181 -22.718 627 3HD1 LEU 35 3HD1 LEU 35 -32.226 0.538 -24.358 628 1HD2 LEU 35 2HD2 LEU 35 -34.951 2.782 -22.777 629 2HD2 LEU 35 1HD2 LEU 35 -35.814 1.323 -22.289 630 3HD2 LEU 35 3HD2 LEU 35 -34.208 1.657 -21.641 631 H SER 36 H SER 36 -36.079 1.588 -27.682 632 HA SER 36 HA SER 36 -38.537 3.027 -27.252 633 1HB SER 36 2HB SER 36 -36.464 2.943 -29.097 634 2HB SER 36 1HB SER 36 -37.837 2.342 -30.022 635 HG SER 36 HG SER 36 -37.376 4.839 -28.885 636 H CYS 37 H CYS 37 -37.751 -0.076 -28.794 637 HA CYS 37 HA CYS 37 -40.498 -0.607 -29.629 638 1HB CYS 37 2HB CYS 37 -38.073 -2.414 -29.323 639 2HB CYS 37 1HB CYS 37 -39.515 -2.773 -30.270 640 H ARG 38 H ARG 38 -38.679 -0.962 -26.705 641 HA ARG 38 HA ARG 38 -40.343 -3.134 -25.616 642 1HB ARG 38 2HB ARG 38 -37.983 -1.471 -24.805 643 2HB ARG 38 1HB ARG 38 -38.884 -2.319 -23.547 644 1HG ARG 38 2HG ARG 38 -37.700 -3.608 -26.024 645 2HG ARG 38 1HG ARG 38 -37.022 -3.705 -24.398 646 1HD ARG 38 2HD ARG 38 -39.579 -4.508 -23.906 647 2HD ARG 38 1HD ARG 38 -39.347 -5.132 -25.550 648 HE ARG 38 HE ARG 38 -37.418 -6.393 -24.752 649 1HH1 ARG 38 2HH1 ARG 38 -38.229 -4.159 -22.355 650 2HH1 ARG 38 1HH1 ARG 38 -37.980 -5.240 -21.027 651 1HH2 ARG 38 1HH2 ARG 38 -37.496 -8.023 -23.039 652 2HH2 ARG 38 2HH2 ARG 38 -37.564 -7.429 -21.413 653 H LYS 39 H LYS 39 -39.987 0.388 -25.227 654 HA LYS 39 HA LYS 39 -41.903 0.563 -23.039 655 1HB LYS 39 2HB LYS 39 -41.666 3.008 -23.531 656 2HB LYS 39 1HB LYS 39 -40.111 2.194 -23.363 657 1HG LYS 39 2HG LYS 39 -39.554 2.951 -25.405 658 2HG LYS 39 1HG LYS 39 -40.833 1.943 -26.078 659 1HD LYS 39 2HD LYS 39 -41.201 4.245 -26.778 660 2HD LYS 39 1HD LYS 39 -42.459 3.786 -25.631 661 1HE LYS 39 2HE LYS 39 -41.875 5.602 -24.404 662 2HE LYS 39 1HE LYS 39 -40.335 4.789 -24.058 663 1HZ LYS 39 2HZ LYS 39 -39.503 5.607 -26.206 664 2HZ LYS 39 1HZ LYS 39 -40.945 6.479 -26.426 665 3HZ LYS 39 3HZ LYS 39 -39.900 6.879 -25.152 666 H ARG 40 H ARG 40 -42.089 0.542 -26.527 667 HA ARG 40 HA ARG 40 -44.947 1.411 -26.450 668 1HB ARG 40 2HB ARG 40 -42.931 1.006 -28.682 669 2HB ARG 40 1HB ARG 40 -44.583 1.579 -28.922 670 1HG ARG 40 2HG ARG 40 -43.748 3.257 -26.957 671 2HG ARG 40 1HG ARG 40 -42.235 2.989 -27.821 672 1HD ARG 40 2HD ARG 40 -43.180 3.763 -29.898 673 2HD ARG 40 1HD ARG 40 -44.816 3.774 -29.211 674 HE ARG 40 HE ARG 40 -42.637 5.668 -28.470 675 1HH1 ARG 40 1HH2 ARG 40 -45.486 4.336 -27.262 676 2HH1 ARG 40 2HH2 ARG 40 -46.264 5.851 -26.950 677 1HH2 ARG 40 2HH1 ARG 40 -43.806 7.736 -28.510 678 2HH2 ARG 40 1HH1 ARG 40 -45.313 7.776 -27.656 679 H HIS 41 H HIS 41 -43.181 -1.415 -26.272 680 HA HIS 41 HA HIS 41 -43.709 -3.677 -26.663 681 1HB HIS 41 2HB HIS 41 -46.485 -2.454 -26.788 682 2HB HIS 41 1HB HIS 41 -46.110 -4.142 -26.447 683 HD1 HIS 41 HD1 HIS 41 -47.285 -1.561 -24.579 684 HD2 HIS 41 HD2 HIS 41 -43.789 -3.796 -24.178 685 HE1 HIS 41 HE1 HIS 41 -46.554 -1.319 -22.167 686 H ILE 42 H ILE 42 -42.684 -2.747 -28.915 687 HA ILE 42 HA ILE 42 -44.656 -3.213 -31.114 688 HB ILE 42 HB ILE 42 -41.857 -2.032 -31.140 689 1HG1 ILE 42 2HG1 ILE 42 -43.398 -0.674 -29.776 690 2HG1 ILE 42 1HG1 ILE 42 -43.026 0.150 -31.290 691 1HG2 ILE 42 1HG2 ILE 42 -43.955 -2.548 -33.187 692 2HG2 ILE 42 3HG2 ILE 42 -43.111 -1.004 -33.294 693 3HG2 ILE 42 2HG2 ILE 42 -42.200 -2.513 -33.358 694 1HD1 ILE 42 1HD1 ILE 42 -45.163 -1.035 -32.192 695 2HD1 ILE 42 3HD1 ILE 42 -45.561 -1.263 -30.488 696 3HD1 ILE 42 2HD1 ILE 42 -45.362 0.365 -31.137 697 H LYS 43 H LYS 43 -43.767 -4.485 -32.992 698 HA LYS 43 HA LYS 43 -42.386 -6.904 -32.019 699 1HB LYS 43 2HB LYS 43 -43.604 -6.114 -34.686 700 2HB LYS 43 1HB LYS 43 -43.045 -7.734 -34.271 701 1HG LYS 43 2HG LYS 43 -44.695 -7.942 -32.530 702 2HG LYS 43 1HG LYS 43 -45.146 -6.244 -32.678 703 1HD LYS 43 2HD LYS 43 -46.359 -6.588 -34.604 704 2HD LYS 43 1HD LYS 43 -45.334 -7.921 -35.137 705 1HE LYS 43 2HE LYS 43 -46.393 -9.035 -32.901 706 2HE LYS 43 1HE LYS 43 -47.733 -7.976 -33.386 707 1HZ LYS 43 2HZ LYS 43 -46.279 -9.792 -35.234 708 2HZ LYS 43 1HZ LYS 43 -47.772 -10.165 -34.514 709 3HZ LYS 43 3HZ LYS 43 -47.655 -8.863 -35.594 710 H CYS 44 H CYS 44 -40.210 -6.041 -31.741 711 HA CYS 44 HA CYS 44 -38.763 -4.612 -33.744 712 1HB CYS 44 2HB CYS 44 -38.314 -5.064 -31.229 713 2HB CYS 44 1HB CYS 44 -37.578 -6.571 -31.775 714 HA PRO 45 HA PRO 45 -38.179 -7.896 -36.728 715 1HB PRO 45 2HB PRO 45 -35.729 -6.723 -37.670 716 2HB PRO 45 1HB PRO 45 -37.327 -6.649 -38.417 717 1HG PRO 45 2HG PRO 45 -35.905 -4.531 -37.118 718 2HG PRO 45 1HG PRO 45 -37.518 -4.472 -37.834 719 1HD PRO 45 2HD PRO 45 -36.811 -4.438 -35.029 720 2HD PRO 45 1HD PRO 45 -38.434 -4.335 -35.753 721 H GLY 46 H GLY 46 -35.210 -6.690 -35.113 722 1HA GLY 46 2HA GLY 46 -34.105 -8.295 -33.520 723 2HA GLY 46 1HA GLY 46 -34.402 -9.546 -34.727 724 H GLY 47 H GLY 47 -32.546 -6.608 -34.070 725 1HA GLY 47 2HA GLY 47 -30.265 -7.653 -35.530 726 2HA GLY 47 1HA GLY 47 -31.048 -6.328 -36.393 727 H ASN 48 H ASN 48 -28.592 -5.675 -35.742 728 HA ASN 48 HA ASN 48 -28.925 -3.765 -33.489 729 1HB ASN 48 2HB ASN 48 -27.269 -6.192 -33.551 730 2HB ASN 48 1HB ASN 48 -26.386 -4.744 -33.068 731 1HD2 ASN 48 2HD2 ASN 48 -28.646 -4.166 -30.233 732 2HD2 ASN 48 1HD2 ASN 48 -27.983 -3.283 -31.524 733 HA PRO 49 HA PRO 49 -29.196 -1.824 -33.637 734 1HB PRO 49 2HB PRO 49 -29.966 -0.073 -35.775 735 2HB PRO 49 1HB PRO 49 -29.190 0.361 -34.255 736 1HG PRO 49 2HG PRO 49 -28.039 0.431 -36.853 737 2HG PRO 49 1HG PRO 49 -27.229 0.732 -35.314 738 1HD PRO 49 2HD PRO 49 -27.002 -1.593 -37.067 739 2HD PRO 49 1HD PRO 49 -26.036 -1.189 -35.627 740 H CYS 50 H CYS 50 -31.513 -2.169 -33.859 741 HA CYS 50 HA CYS 50 -32.319 -4.284 -35.621 742 1HB CYS 50 2HB CYS 50 -34.538 -3.802 -34.647 743 2HB CYS 50 1HB CYS 50 -33.296 -3.754 -33.399 744 H GLN 51 H GLN 51 -34.971 -2.753 -36.232 745 HA GLN 51 HA GLN 51 -33.952 -1.079 -38.491 746 1HB GLN 51 2HB GLN 51 -34.445 -3.495 -39.096 747 2HB GLN 51 1HB GLN 51 -36.133 -3.171 -38.700 748 1HG GLN 51 2HG GLN 51 -36.315 -2.536 -40.871 749 2HG GLN 51 1HG GLN 51 -35.525 -1.052 -40.339 750 1HE2 GLN 51 2HE2 GLN 51 -32.249 -2.709 -41.345 751 2HE2 GLN 51 1HE2 GLN 51 -32.911 -2.347 -39.824 752 H LYS 52 H LYS 52 -36.760 -2.033 -36.505 753 HA LYS 52 HA LYS 52 -38.622 -0.105 -37.432 754 1HB LYS 52 2HB LYS 52 -38.169 -1.830 -35.083 755 2HB LYS 52 1HB LYS 52 -39.189 -0.425 -34.765 756 1HG LYS 52 2HG LYS 52 -39.861 -1.718 -37.296 757 2HG LYS 52 1HG LYS 52 -40.024 -2.815 -35.924 758 1HD LYS 52 2HD LYS 52 -42.067 -1.834 -35.692 759 2HD LYS 52 1HD LYS 52 -41.151 -0.550 -34.902 760 1HE LYS 52 2HE LYS 52 -42.049 0.821 -36.490 761 2HE LYS 52 1HE LYS 52 -40.894 0.063 -37.606 762 1HZ LYS 52 3HZ LYS 52 -42.547 -1.751 -37.899 763 2HZ LYS 52 2HZ LYS 52 -43.665 -0.828 -37.012 764 3HZ LYS 52 1HZ LYS 52 -43.071 -0.254 -38.497 765 H CYS 53 H CYS 53 -35.884 0.256 -35.273 766 HA CYS 53 HA CYS 53 -36.741 2.981 -34.459 767 1HB CYS 53 2HB CYS 53 -34.681 0.951 -33.740 768 2HB CYS 53 1HB CYS 53 -34.420 2.622 -33.260 769 H VAL 54 H VAL 54 -34.206 1.300 -36.295 770 HA VAL 54 HA VAL 54 -32.617 3.614 -36.876 771 HB VAL 54 HB VAL 54 -32.951 1.242 -38.730 772 1HG1 VAL 54 1HG1 VAL 54 -31.265 3.421 -38.742 773 2HG1 VAL 54 3HG1 VAL 54 -30.278 2.189 -37.951 774 3HG1 VAL 54 2HG1 VAL 54 -30.944 1.891 -39.559 775 1HG2 VAL 54 2HG2 VAL 54 -31.629 1.305 -36.012 776 2HG2 VAL 54 1HG2 VAL 54 -32.773 0.117 -36.637 777 3HG2 VAL 54 3HG2 VAL 54 -31.127 0.171 -37.264 778 H THR 55 H THR 55 -35.421 2.122 -38.324 779 HA THR 55 HA THR 55 -35.501 3.727 -40.723 780 HB THR 55 HB THR 55 -36.544 1.492 -40.359 781 HG1 THR 55 HG1 THR 55 -38.631 2.139 -41.249 782 1HG2 THR 55 3HG2 THR 55 -37.284 2.167 -37.998 783 2HG2 THR 55 2HG2 THR 55 -38.672 2.918 -38.780 784 3HG2 THR 55 1HG2 THR 55 -38.401 1.182 -38.938 785 H SER 56 H SER 56 -36.986 3.970 -37.498 786 HA SER 56 HA SER 56 -38.502 6.380 -38.254 787 1HB SER 56 2HB SER 56 -38.268 4.480 -35.992 788 2HB SER 56 1HB SER 56 -38.664 6.133 -35.533 789 HG SER 56 HG SER 56 -40.100 4.281 -37.045 790 H ASN 57 H ASN 57 -36.620 6.048 -35.286 791 HA ASN 57 HA ASN 57 -34.374 7.603 -35.881 792 1HB ASN 57 2HB ASN 57 -35.224 9.820 -34.886 793 2HB ASN 57 1HB ASN 57 -35.766 9.429 -36.509 794 1HD2 ASN 57 2HD2 ASN 57 -39.027 10.117 -35.265 795 2HD2 ASN 57 1HD2 ASN 57 -37.773 10.655 -36.275 796 H ALA 58 H ALA 58 -35.150 5.495 -34.150 797 HA ALA 58 HA ALA 58 -34.732 6.729 -31.444 798 1HB ALA 58 1HB ALA 58 -36.621 4.849 -32.512 799 2HB ALA 58 3HB ALA 58 -35.651 4.037 -31.282 800 3HB ALA 58 2HB ALA 58 -36.539 5.507 -30.877 801 H ILE 59 H ILE 59 -33.336 5.496 -29.977 802 HA ILE 59 HA ILE 59 -30.984 4.398 -31.295 803 HB ILE 59 HB ILE 59 -31.765 4.497 -28.366 804 1HG1 ILE 59 2HG1 ILE 59 -30.241 6.537 -30.021 805 2HG1 ILE 59 1HG1 ILE 59 -31.913 6.727 -29.484 806 1HG2 ILE 59 1HG2 ILE 59 -29.100 4.304 -29.795 807 2HG2 ILE 59 3HG2 ILE 59 -29.279 4.574 -28.062 808 3HG2 ILE 59 2HG2 ILE 59 -29.845 3.066 -28.783 809 1HD1 ILE 59 1HD1 ILE 59 -30.612 6.056 -27.145 810 2HD1 ILE 59 3HD1 ILE 59 -29.418 7.055 -27.971 811 3HD1 ILE 59 2HD1 ILE 59 -31.026 7.697 -27.639 812 H CYS 60 H CYS 60 -30.422 2.249 -31.389 813 HA CYS 60 HA CYS 60 -32.478 0.273 -30.490 814 1HB CYS 60 2HB CYS 60 -30.327 -0.166 -32.569 815 2HB CYS 60 1HB CYS 60 -31.862 -1.001 -32.391 816 H GLU 61 H GLU 61 -31.777 -0.600 -28.553 817 HA GLU 61 HA GLU 61 -29.029 -1.758 -28.492 818 1HB GLU 61 2HB GLU 61 -30.090 0.523 -26.982 819 2HB GLU 61 1HB GLU 61 -29.395 -0.722 -25.944 820 1HG GLU 61 2HG GLU 61 -27.974 0.400 -28.372 821 2HG GLU 61 1HG GLU 61 -27.744 1.025 -26.738 822 H TYR 62 H TYR 62 -28.820 -3.343 -26.670 823 HA TYR 62 HA TYR 62 -31.460 -4.399 -25.726 824 1HB TYR 62 2HB TYR 62 -29.126 -5.905 -26.953 825 2HB TYR 62 1HB TYR 62 -30.556 -6.670 -26.263 826 HD1 TYR 62 HD2 TYR 62 -32.696 -4.774 -27.170 827 HD2 TYR 62 HD1 TYR 62 -29.293 -6.405 -29.272 828 HE1 TYR 62 HE2 TYR 62 -33.894 -4.485 -29.334 829 HE2 TYR 62 HE1 TYR 62 -30.497 -6.120 -31.436 830 HH TYR 62 HH TYR 62 -32.285 -5.108 -32.431 831 H LEU 63 H LEU 63 -30.725 -6.412 -24.140 832 HA LEU 63 HA LEU 63 -29.250 -5.097 -21.964 833 1HB LEU 63 2HB LEU 63 -31.240 -7.127 -22.347 834 2HB LEU 63 1HB LEU 63 -29.910 -7.823 -21.421 835 HG LEU 63 HG LEU 63 -31.570 -6.777 -19.925 836 1HD1 LEU 63 1HD1 LEU 63 -29.061 -6.732 -19.460 837 2HD1 LEU 63 3HD1 LEU 63 -29.082 -5.058 -20.017 838 3HD1 LEU 63 2HD1 LEU 63 -30.019 -5.528 -18.599 839 1HD2 LEU 63 3HD2 LEU 63 -31.640 -4.820 -21.955 840 2HD2 LEU 63 2HD2 LEU 63 -32.531 -4.802 -20.434 841 3HD2 LEU 63 1HD2 LEU 63 -30.956 -4.016 -20.542 842 H GLU 64 H GLU 64 -27.057 -5.058 -22.777 843 HA GLU 64 HA GLU 64 -25.699 -7.710 -22.627 844 1HB GLU 64 2HB GLU 64 -26.256 -7.150 -24.998 845 2HB GLU 64 1HB GLU 64 -25.331 -5.657 -24.834 846 1HG GLU 64 2HG GLU 64 -23.286 -6.870 -24.458 847 2HG GLU 64 1HG GLU 64 -24.154 -8.399 -24.322 848 HA PRO 65 HA PRO 65 -23.654 -4.041 -20.416 849 1HB PRO 65 2HB PRO 65 -23.399 -5.762 -18.125 850 2HB PRO 65 1HB PRO 65 -24.366 -4.292 -18.278 851 1HG PRO 65 2HG PRO 65 -25.295 -7.001 -18.139 852 2HG PRO 65 1HG PRO 65 -26.258 -5.529 -18.309 853 1HD PRO 65 2HD PRO 65 -25.759 -7.551 -20.322 854 2HD PRO 65 1HD PRO 65 -26.723 -6.060 -20.478 855 H SER 66 H SER 66 -21.561 -4.056 -21.176 856 HA SER 66 HA SER 66 -19.781 -6.311 -20.393 857 1HB SER 66 2HB SER 66 -19.081 -6.632 -22.694 858 2HB SER 66 1HB SER 66 -20.839 -6.723 -22.650 859 HG SER 66 HG SER 66 -19.459 -5.193 -24.175 860 H LYS 67 H LYS 67 -19.997 -3.496 -19.545 861 HA LYS 67 HA LYS 67 -18.121 -1.771 -20.800 862 1HB LYS 67 2HB LYS 67 -19.285 -2.133 -18.054 863 2HB LYS 67 1HB LYS 67 -18.010 -0.936 -18.294 864 1HG LYS 67 2HG LYS 67 -19.306 0.339 -19.772 865 2HG LYS 67 1HG LYS 67 -20.373 -1.012 -20.155 866 1HD LYS 67 2HD LYS 67 -20.399 -0.356 -17.308 867 2HD LYS 67 1HD LYS 67 -20.903 1.003 -18.313 868 1HE LYS 67 2HE LYS 67 -22.525 -0.507 -19.480 869 2HE LYS 67 1HE LYS 67 -22.077 -1.801 -18.350 870 1HZ LYS 67 1HZ LYS 67 -22.537 -0.122 -16.539 871 2HZ LYS 67 3HZ LYS 67 -23.292 0.829 -17.723 872 3HZ LYS 67 2HZ LYS 67 -23.899 -0.717 -17.361 873 H LYS 68 H LYS 68 -16.126 -2.733 -21.329 874 HA LYS 68 HA LYS 68 -14.292 -3.238 -19.073 875 1HB LYS 68 2HB LYS 68 -15.405 -5.390 -19.389 876 2HB LYS 68 1HB LYS 68 -15.073 -5.336 -21.120 877 1HG LYS 68 2HG LYS 68 -13.025 -6.212 -20.805 878 2HG LYS 68 1HG LYS 68 -12.623 -4.944 -19.646 879 1HD LYS 68 2HD LYS 68 -13.704 -6.195 -17.846 880 2HD LYS 68 1HD LYS 68 -14.218 -7.438 -18.988 881 1HE LYS 68 2HE LYS 68 -11.412 -7.114 -19.348 882 2HE LYS 68 1HE LYS 68 -11.707 -7.244 -17.602 883 1HZ LYS 68 1HZ LYS 68 -12.919 -9.032 -19.641 884 2HZ LYS 68 3HZ LYS 68 -11.546 -9.430 -18.730 885 3HZ LYS 68 2HZ LYS 68 -13.037 -9.185 -17.953 886 H ILE 69 H ILE 69 -12.757 -1.748 -19.788 887 HA ILE 69 HA ILE 69 -12.111 -1.458 -22.629 888 HB ILE 69 HB ILE 69 -12.127 0.349 -20.837 889 1HG1 ILE 69 2HG1 ILE 69 -9.700 1.145 -21.650 890 2HG1 ILE 69 1HG1 ILE 69 -9.928 -0.195 -22.774 891 1HG2 ILE 69 3HG2 ILE 69 -9.565 -1.059 -20.039 892 2HG2 ILE 69 2HG2 ILE 69 -10.037 0.548 -19.487 893 3HG2 ILE 69 1HG2 ILE 69 -11.005 -0.855 -19.045 894 1HD1 ILE 69 1HD1 ILE 69 -12.350 0.957 -22.996 895 2HD1 ILE 69 3HD1 ILE 69 -11.402 2.383 -22.576 896 3HD1 ILE 69 2HD1 ILE 69 -10.982 1.434 -24.001 897 H VAL 70 H VAL 70 -10.085 -2.053 -23.589 898 HA VAL 70 HA VAL 70 -8.175 -3.652 -21.997 899 HB VAL 70 HB VAL 70 -9.385 -4.841 -24.502 900 1HG1 VAL 70 2HG1 VAL 70 -7.183 -5.622 -23.509 901 2HG1 VAL 70 1HG1 VAL 70 -8.098 -6.142 -22.092 902 3HG1 VAL 70 3HG1 VAL 70 -8.418 -6.875 -23.665 903 1HG2 VAL 70 3HG2 VAL 70 -10.312 -5.239 -21.634 904 2HG2 VAL 70 2HG2 VAL 70 -11.264 -4.553 -22.951 905 3HG2 VAL 70 1HG2 VAL 70 -10.798 -6.253 -22.993 906 H VAL 71 H VAL 71 -6.485 -2.266 -22.554 907 HA VAL 71 HA VAL 71 -5.586 -2.360 -25.364 908 HB VAL 71 HB VAL 71 -6.310 0.187 -23.880 909 1HG1 VAL 71 1HG1 VAL 71 -4.281 -0.259 -25.837 910 2HG1 VAL 71 3HG1 VAL 71 -5.593 0.623 -26.618 911 3HG1 VAL 71 2HG1 VAL 71 -4.829 1.281 -25.172 912 1HG2 VAL 71 3HG2 VAL 71 -7.398 -1.241 -26.314 913 2HG2 VAL 71 2HG2 VAL 71 -8.268 -0.750 -24.860 914 3HG2 VAL 71 1HG2 VAL 71 -7.719 0.467 -26.012 915 H SER 72 H SER 72 -4.618 0.079 -22.991 916 HA SER 72 HA SER 72 -2.234 -1.472 -22.181 917 1HB SER 72 2HB SER 72 -1.630 -0.562 -24.366 918 2HB SER 72 1HB SER 72 -2.178 1.041 -23.881 919 HG SER 72 HG SER 72 0.014 0.986 -23.580 920 H THR 73 H THR 73 -1.818 -0.920 -20.065 921 HA THR 73 HA THR 73 -3.288 1.131 -18.692 922 HB THR 73 HB THR 73 -2.339 -0.940 -17.694 923 HG1 THR 73 HG1 THR 73 -1.299 0.207 -15.883 924 1HG2 THR 73 3HG2 THR 73 -0.160 -0.609 -19.088 925 2HG2 THR 73 2HG2 THR 73 0.355 0.390 -17.728 926 3HG2 THR 73 1HG2 THR 73 -0.039 -1.310 -17.474 927 H LYS 74 H LYS 74 -0.080 1.059 -20.198 928 HA LYS 74 HA LYS 74 1.081 3.394 -19.125 929 1HB LYS 74 2HB LYS 74 1.557 1.555 -21.166 930 2HB LYS 74 1HB LYS 74 1.414 3.092 -22.019 931 1HG LYS 74 2HG LYS 74 3.126 2.809 -19.548 932 2HG LYS 74 1HG LYS 74 3.755 2.455 -21.157 933 1HD LYS 74 2HD LYS 74 2.288 5.003 -20.979 934 2HD LYS 74 1HD LYS 74 3.756 4.947 -20.003 935 1HE LYS 74 2HE LYS 74 4.849 3.937 -22.170 936 2HE LYS 74 1HE LYS 74 3.467 4.695 -22.988 937 1HZ LYS 74 3HZ LYS 74 5.087 6.145 -20.978 938 2HZ LYS 74 2HZ LYS 74 5.504 6.145 -22.626 939 3HZ LYS 74 1HZ LYS 74 4.014 6.786 -22.123 940 H TYR 75 H TYR 75 -0.951 3.134 -22.064 941 HA TYR 75 HA TYR 75 -1.191 5.909 -22.616 942 1HB TYR 75 2HB TYR 75 -2.104 4.727 -24.344 943 2HB TYR 75 1HB TYR 75 -2.425 3.339 -23.315 944 HD1 TYR 75 HD1 TYR 75 -3.715 6.873 -23.673 945 HD2 TYR 75 HD2 TYR 75 -4.663 2.689 -23.175 946 HE1 TYR 75 HE1 TYR 75 -6.144 7.419 -23.705 947 HE2 TYR 75 HE2 TYR 75 -7.090 3.235 -23.212 948 HH TYR 75 HH TYR 75 -8.400 5.750 -24.396 949 H LEU 76 H LEU 76 -3.305 3.765 -20.699 950 HA LEU 76 HA LEU 76 -5.250 5.582 -19.833 951 1HB LEU 76 2HB LEU 76 -4.159 3.004 -19.134 952 2HB LEU 76 1HB LEU 76 -4.554 3.895 -17.667 953 HG LEU 76 HG LEU 76 -6.495 2.606 -18.445 954 1HD1 LEU 76 3HD1 LEU 76 -6.516 5.153 -17.573 955 2HD1 LEU 76 2HD1 LEU 76 -7.263 5.395 -19.151 956 3HD1 LEU 76 1HD1 LEU 76 -7.995 4.288 -17.988 957 1HD2 LEU 76 3HD2 LEU 76 -5.762 2.739 -20.885 958 2HD2 LEU 76 2HD2 LEU 76 -7.486 2.984 -20.598 959 3HD2 LEU 76 1HD2 LEU 76 -6.438 4.369 -20.906 960 H GLN 77 H GLN 77 -2.015 4.974 -18.447 961 HA GLN 77 HA GLN 77 -2.273 6.749 -16.205 962 1HB GLN 77 2HB GLN 77 -0.320 5.069 -17.511 963 2HB GLN 77 1HB GLN 77 0.423 6.606 -17.065 964 1HG GLN 77 2HG GLN 77 0.681 5.489 -15.064 965 2HG GLN 77 1HG GLN 77 -0.927 6.165 -14.801 966 1HE2 GLN 77 2HE2 GLN 77 -2.585 2.993 -15.343 967 2HE2 GLN 77 1HE2 GLN 77 -2.791 4.659 -15.601 968 H GLN 78 H GLN 78 -0.785 7.225 -19.437 969 HA GLN 78 HA GLN 78 -0.037 9.958 -19.047 970 1HB GLN 78 2HB GLN 78 0.622 8.260 -20.860 971 2HB GLN 78 1HB GLN 78 -0.908 8.662 -21.640 972 1HG GLN 78 2HG GLN 78 0.711 10.992 -20.813 973 2HG GLN 78 1HG GLN 78 1.428 10.006 -22.087 974 1HE2 GLN 78 2HE2 GLN 78 -1.020 12.579 -23.492 975 2HE2 GLN 78 1HE2 GLN 78 0.230 12.737 -22.355 976 H LEU 79 H LEU 79 -3.105 8.444 -19.694 977 HA LEU 79 HA LEU 79 -4.430 10.828 -20.742 978 1HB LEU 79 2HB LEU 79 -4.882 8.028 -20.420 979 2HB LEU 79 1HB LEU 79 -6.211 8.873 -19.628 980 HG LEU 79 HG LEU 79 -6.636 8.415 -22.059 981 1HD1 LEU 79 2HD1 LEU 79 -6.558 11.161 -20.875 982 2HD1 LEU 79 1HD1 LEU 79 -6.998 10.993 -22.574 983 3HD1 LEU 79 3HD1 LEU 79 -7.949 10.177 -21.333 984 1HD2 LEU 79 3HD2 LEU 79 -4.113 8.882 -22.580 985 2HD2 LEU 79 2HD2 LEU 79 -5.329 9.385 -23.754 986 3HD2 LEU 79 1HD2 LEU 79 -4.618 10.570 -22.657 987 H GLN 80 H GLN 80 -4.192 9.187 -17.604 988 HA GLN 80 HA GLN 80 -6.084 10.956 -16.279 989 1HB GLN 80 2HB GLN 80 -4.631 8.542 -15.828 990 2HB GLN 80 1HB GLN 80 -4.268 9.641 -14.494 991 1HG GLN 80 2HG GLN 80 -6.237 8.902 -13.629 992 2HG GLN 80 1HG GLN 80 -6.972 10.006 -14.789 993 1HE2 GLN 80 2HE2 GLN 80 -7.136 6.978 -17.123 994 2HE2 GLN 80 1HE2 GLN 80 -6.114 8.333 -17.135 995 H LYS 81 H LYS 81 -2.560 10.809 -16.669 996 HA LYS 81 HA LYS 81 -2.028 12.998 -14.808 997 1HB LYS 81 2HB LYS 81 -0.607 11.105 -16.518 998 2HB LYS 81 1HB LYS 81 0.107 12.715 -16.609 999 1HG LYS 81 2HG LYS 81 0.465 12.799 -14.251 1000 2HG LYS 81 1HG LYS 81 -0.563 11.392 -13.974 1001 1HD LYS 81 2HD LYS 81 1.027 9.931 -15.057 1002 2HD LYS 81 1HD LYS 81 2.003 11.303 -15.581 1003 1HE LYS 81 2HE LYS 81 2.800 11.732 -13.408 1004 2HE LYS 81 1HE LYS 81 1.459 10.854 -12.645 1005 1HZ LYS 81 3HZ LYS 81 2.272 8.811 -13.672 1006 2HZ LYS 81 2HZ LYS 81 3.583 9.656 -14.345 1007 3HZ LYS 81 1HZ LYS 81 3.451 9.490 -12.659 1008 H ASP 82 H ASP 82 -2.244 12.671 -18.367 1009 HA ASP 82 HA ASP 82 -1.587 15.321 -19.107 1010 1HB ASP 82 2HB ASP 82 -2.011 13.392 -20.631 1011 2HB ASP 82 1HB ASP 82 -3.727 13.476 -20.235 1012 H LEU 83 H LEU 83 -4.696 13.926 -18.072 1013 HA LEU 83 HA LEU 83 -6.313 16.257 -18.309 1014 1HB LEU 83 2HB LEU 83 -7.149 13.972 -17.936 1015 2HB LEU 83 1HB LEU 83 -6.379 13.938 -16.349 1016 HG LEU 83 HG LEU 83 -8.190 16.229 -16.871 1017 1HD1 LEU 83 3HD1 LEU 83 -9.196 13.938 -17.774 1018 2HD1 LEU 83 2HD1 LEU 83 -9.473 13.650 -16.057 1019 3HD1 LEU 83 1HD1 LEU 83 -10.189 15.058 -16.842 1020 1HD2 LEU 83 3HD2 LEU 83 -7.155 14.605 -14.640 1021 2HD2 LEU 83 2HD2 LEU 83 -7.632 16.303 -14.668 1022 3HD2 LEU 83 1HD2 LEU 83 -8.854 15.046 -14.477 1023 H ASN 84 H ASN 84 -4.300 15.056 -15.607 1024 HA ASN 84 HA ASN 84 -4.992 17.131 -13.742 1025 1HB ASN 84 2HB ASN 84 -3.452 14.812 -13.861 1026 2HB ASN 84 1HB ASN 84 -2.269 16.084 -13.577 1027 1HD2 ASN 84 2HD2 ASN 84 -5.150 15.385 -10.725 1028 2HD2 ASN 84 1HD2 ASN 84 -5.431 14.896 -12.326 1029 H ASP 85 H ASP 85 -2.585 16.864 -16.317 1030 HA ASP 85 HA ASP 85 -1.071 19.226 -15.665 1031 1HB ASP 85 2HB ASP 85 -0.859 17.164 -17.417 1032 2HB ASP 85 1HB ASP 85 -1.461 18.416 -18.505 1033 H LYS 86 H LYS 86 -4.213 18.741 -17.039 1034 HA LYS 86 HA LYS 86 -4.370 21.374 -18.341 1035 1HB LYS 86 2HB LYS 86 -6.467 19.315 -17.549 1036 2HB LYS 86 1HB LYS 86 -6.738 20.680 -18.632 1037 1HG LYS 86 2HG LYS 86 -4.613 18.596 -19.157 1038 2HG LYS 86 1HG LYS 86 -6.260 18.445 -19.769 1039 1HD LYS 86 2HD LYS 86 -5.933 20.808 -20.736 1040 2HD LYS 86 1HD LYS 86 -4.214 20.567 -20.420 1041 1HE LYS 86 2HE LYS 86 -4.399 18.388 -21.743 1042 2HE LYS 86 1HE LYS 86 -6.001 18.951 -22.259 1043 1HZ LYS 86 3HZ LYS 86 -3.621 20.695 -22.431 1044 2HZ LYS 86 2HZ LYS 86 -4.019 19.627 -23.691 1045 3HZ LYS 86 1HZ LYS 86 -5.105 20.854 -23.236 1046 H THR 87 H THR 87 -5.077 19.849 -15.284 1047 HA THR 87 HA THR 87 -6.602 22.051 -14.135 1048 HB THR 87 HB THR 87 -5.248 19.508 -13.184 1049 HG1 THR 87 HG1 THR 87 -7.519 19.083 -12.704 1050 1HG2 THR 87 3HG2 THR 87 -6.488 21.714 -11.562 1051 2HG2 THR 87 2HG2 THR 87 -6.606 20.040 -11.019 1052 3HG2 THR 87 1HG2 THR 87 -5.024 20.785 -11.241 1053 H GLU 88 H GLU 88 -3.253 20.817 -13.941 1054 HA GLU 88 HA GLU 88 -2.237 22.808 -12.142 1055 1HB GLU 88 2HB GLU 88 -1.044 21.053 -14.305 1056 2HB GLU 88 1HB GLU 88 -0.048 22.093 -13.286 1057 1HG GLU 88 2HG GLU 88 -2.020 20.168 -12.066 1058 2HG GLU 88 1HG GLU 88 -0.403 19.637 -12.528 1059 H GLU 89 H GLU 89 -2.722 22.674 -15.632 1060 HA GLU 89 HA GLU 89 -1.318 25.129 -16.275 1061 1HB GLU 89 2HB GLU 89 -3.016 23.091 -17.530 1062 2HB GLU 89 1HB GLU 89 -3.307 24.706 -18.178 1063 1HG GLU 89 2HG GLU 89 -0.715 24.877 -18.307 1064 2HG GLU 89 1HG GLU 89 -0.746 23.120 -18.162 1065 H ASN 90 H ASN 90 -4.770 24.296 -15.847 1066 HA ASN 90 HA ASN 90 -5.913 26.865 -16.130 1067 1HB ASN 90 2HB ASN 90 -6.572 24.237 -15.131 1068 2HB ASN 90 1HB ASN 90 -7.225 25.451 -14.032 1069 1HD2 ASN 90 2HD2 ASN 90 -9.273 24.752 -17.318 1070 2HD2 ASN 90 1HD2 ASN 90 -8.241 23.659 -16.530 1071 H ASN 91 H ASN 91 -4.066 25.435 -13.534 1072 HA ASN 91 HA ASN 91 -4.722 27.428 -11.506 1073 1HB ASN 91 2HB ASN 91 -3.082 25.008 -11.898 1074 2HB ASN 91 1HB ASN 91 -2.361 26.175 -10.794 1075 1HD2 ASN 91 2HD2 ASN 91 -5.773 24.200 -9.716 1076 2HD2 ASN 91 1HD2 ASN 91 -5.186 24.088 -11.305 1077 H ARG 92 H ARG 92 -2.162 26.904 -13.896 1078 HA ARG 92 HA ARG 92 -0.533 29.170 -12.989 1079 1HB ARG 92 2HB ARG 92 0.151 26.964 -14.147 1080 2HB ARG 92 1HB ARG 92 -0.434 27.717 -15.632 1081 1HG ARG 92 2HG ARG 92 1.079 29.713 -14.978 1082 2HG ARG 92 1HG ARG 92 1.856 28.580 -13.869 1083 1HD ARG 92 2HD ARG 92 2.150 27.012 -15.865 1084 2HD ARG 92 1HD ARG 92 1.673 28.381 -16.889 1085 HE ARG 92 HE ARG 92 3.638 29.327 -15.078 1086 1HH1 ARG 92 1HH2 ARG 92 3.833 29.621 -18.052 1087 2HH1 ARG 92 2HH2 ARG 92 5.229 28.666 -18.420 1088 1HH2 ARG 92 2HH1 ARG 92 5.217 26.995 -15.383 1089 2HH2 ARG 92 1HH1 ARG 92 6.013 27.179 -16.909 1090 H LEU 93 H LEU 93 -2.234 28.443 -16.057 1091 HA LEU 93 HA LEU 93 -2.124 30.925 -17.316 1092 1HB LEU 93 2HB LEU 93 -3.058 28.939 -18.338 1093 2HB LEU 93 1HB LEU 93 -4.332 28.853 -17.123 1094 HG LEU 93 HG LEU 93 -4.101 31.350 -18.755 1095 1HD1 LEU 93 3HD1 LEU 93 -4.212 28.868 -20.007 1096 2HD1 LEU 93 2HD1 LEU 93 -5.903 29.360 -19.913 1097 3HD1 LEU 93 1HD1 LEU 93 -4.724 30.401 -20.711 1098 1HD2 LEU 93 3HD2 LEU 93 -5.982 30.025 -16.971 1099 2HD2 LEU 93 2HD2 LEU 93 -5.966 31.699 -17.525 1100 3HD2 LEU 93 1HD2 LEU 93 -6.748 30.455 -18.500 1101 H LYS 94 H LYS 94 -4.221 29.910 -14.661 1102 HA LYS 94 HA LYS 94 -5.921 32.257 -14.666 1103 1HB LYS 94 2HB LYS 94 -6.566 30.119 -13.656 1104 2HB LYS 94 1HB LYS 94 -5.189 30.195 -12.557 1105 1HG LYS 94 2HG LYS 94 -6.095 32.184 -11.484 1106 2HG LYS 94 1HG LYS 94 -7.423 32.241 -12.644 1107 1HD LYS 94 2HD LYS 94 -8.022 29.880 -11.840 1108 2HD LYS 94 1HD LYS 94 -6.915 30.174 -10.498 1109 1HE LYS 94 2HE LYS 94 -8.217 32.224 -9.908 1110 2HE LYS 94 1HE LYS 94 -9.370 31.826 -11.199 1111 1HZ LYS 94 2HZ LYS 94 -9.439 29.535 -10.118 1112 2HZ LYS 94 1HZ LYS 94 -8.734 30.275 -8.761 1113 3HZ LYS 94 3HZ LYS 94 -10.251 30.793 -9.314 1114 H ALA 95 H ALA 95 -2.937 31.309 -12.953 1115 HA ALA 95 HA ALA 95 -2.839 33.994 -11.658 1116 1HB ALA 95 2HB ALA 95 -2.506 31.931 -10.323 1117 2HB ALA 95 1HB ALA 95 -1.142 31.492 -11.351 1118 3HB ALA 95 3HB ALA 95 -1.047 32.924 -10.326 1119 H LEU 96 H LEU 96 -2.164 33.142 -14.617 1120 HA LEU 96 HA LEU 96 0.611 34.267 -14.688 1121 1HB LEU 96 2HB LEU 96 -0.078 31.938 -15.630 1122 2HB LEU 96 1HB LEU 96 -0.844 32.857 -16.927 1123 HG LEU 96 HG LEU 96 1.850 33.820 -16.373 1124 1HD1 LEU 96 3HD1 LEU 96 1.417 30.899 -17.020 1125 2HD1 LEU 96 2HD1 LEU 96 2.892 31.746 -17.484 1126 3HD1 LEU 96 1HD1 LEU 96 2.458 31.598 -15.781 1127 1HD2 LEU 96 2HD2 LEU 96 0.338 34.191 -18.405 1128 2HD2 LEU 96 1HD2 LEU 96 2.008 33.748 -18.762 1129 3HD2 LEU 96 3HD2 LEU 96 0.730 32.538 -18.878 1130 H LEU 97 H LEU 97 -2.705 34.688 -15.753 1131 HA LEU 97 HA LEU 97 -1.885 37.186 -17.176 1132 1HB LEU 97 2HB LEU 97 -3.733 36.732 -18.690 1133 2HB LEU 97 1HB LEU 97 -2.726 35.294 -18.587 1134 HG LEU 97 HG LEU 97 -4.416 34.720 -16.599 1135 1HD1 LEU 97 2HD1 LEU 97 -5.761 36.797 -18.275 1136 2HD1 LEU 97 1HD1 LEU 97 -6.730 35.442 -17.697 1137 3HD1 LEU 97 3HD1 LEU 97 -5.903 36.490 -16.545 1138 1HD2 LEU 97 2HD2 LEU 97 -4.953 34.383 -19.565 1139 2HD2 LEU 97 1HD2 LEU 97 -4.043 33.285 -18.529 1140 3HD2 LEU 97 3HD2 LEU 97 -5.781 33.476 -18.300 1141 H LEU 98 H LEU 98 -3.783 35.838 -14.617 1142 HA LEU 98 HA LEU 98 -5.929 37.708 -14.492 1143 1HB LEU 98 2HB LEU 98 -5.883 35.635 -13.237 1144 2HB LEU 98 1HB LEU 98 -4.406 36.119 -12.405 1145 HG LEU 98 HG LEU 98 -6.468 38.130 -12.129 1146 1HD1 LEU 98 2HD1 LEU 98 -7.852 35.982 -12.363 1147 2HD1 LEU 98 1HD1 LEU 98 -7.107 35.465 -10.850 1148 3HD1 LEU 98 3HD1 LEU 98 -8.107 36.916 -10.889 1149 1HD2 LEU 98 3HD2 LEU 98 -4.688 36.470 -10.365 1150 2HD2 LEU 98 2HD2 LEU 98 -4.707 38.220 -10.589 1151 3HD2 LEU 98 1HD2 LEU 98 -5.972 37.437 -9.642 1152 H GLU 99 H GLU 99 -2.595 37.842 -13.365 1153 HA GLU 99 HA GLU 99 -2.971 40.371 -11.922 1154 1HB GLU 99 2HB GLU 99 -1.147 38.224 -11.990 1155 2HB GLU 99 1HB GLU 99 -0.234 39.632 -12.537 1156 1HG GLU 99 2HG GLU 99 -1.381 40.828 -10.503 1157 2HG GLU 99 1HG GLU 99 -1.622 39.185 -9.909 1158 H ARG 100 HN ARG 100 -1.775 39.311 -15.072 1159 HA ARG 100 HA ARG 100 -0.836 42.031 -15.767 1160 1HB ARG 100 2HB ARG 100 0.101 39.605 -16.351 1161 2HB ARG 100 1HB ARG 100 -1.035 39.746 -17.694 1162 1HG ARG 100 2HG ARG 100 0.529 42.186 -17.284 1163 2HG ARG 100 1HG ARG 100 1.538 40.784 -17.645 1164 1HD ARG 100 2HD ARG 100 -0.856 40.897 -19.338 1165 2HD ARG 100 1HD ARG 100 0.203 42.308 -19.542 1166 HE ARG 100 HE ARG 100 2.094 40.532 -19.708 1167 1HH1 ARG 100 1HH1 ARG 100 0.769 38.025 -19.584 1168 2HH1 ARG 100 2HH1 ARG 100 0.281 37.687 -21.211 1169 1HH2 ARG 100 1HH2 ARG 100 0.622 40.969 -22.275 1170 2HH2 ARG 100 2HH2 ARG 100 0.197 39.354 -22.735 No H/Q in entry = 1170 Start of MODEL 10 1 1H MET 30 1H MET 30 23.484 -10.092 -10.432 2 2H MET 30 3H MET 30 23.291 -10.383 -12.091 3 3H MET 30 2H MET 30 23.936 -8.904 -11.558 4 HA MET 30 HA MET 30 21.858 -8.221 -10.637 5 1HB MET 30 2HB MET 30 22.274 -9.115 -13.397 6 2HB MET 30 1HB MET 30 20.567 -8.964 -12.984 7 1HG MET 30 2HG MET 30 20.865 -6.672 -12.286 8 2HG MET 30 1HG MET 30 22.617 -6.804 -12.435 9 1HE MET 30 3HE MET 30 19.582 -8.001 -14.488 10 2HE MET 30 2HE MET 30 19.220 -6.302 -14.192 11 3HE MET 30 1HE MET 30 19.528 -6.857 -15.836 12 H SER 31 H SER 31 20.647 -9.240 -9.058 13 HA SER 31 HA SER 31 18.957 -11.550 -9.909 14 1HB SER 31 2HB SER 31 21.060 -11.398 -7.799 15 2HB SER 31 1HB SER 31 19.598 -12.296 -7.401 16 HG SER 31 HG SER 31 21.523 -12.760 -9.393 17 H VAL 32 H VAL 32 17.006 -10.407 -9.765 18 HA VAL 32 HA VAL 32 16.466 -8.668 -7.439 19 HB VAL 32 HB VAL 32 14.804 -9.518 -9.834 20 1HG1 VAL 32 1HG1 VAL 32 14.147 -8.058 -7.439 21 2HG1 VAL 32 3HG1 VAL 32 14.059 -6.974 -8.827 22 3HG1 VAL 32 2HG1 VAL 32 13.106 -8.458 -8.806 23 1HG2 VAL 32 2HG2 VAL 32 17.099 -7.996 -9.820 24 2HG2 VAL 32 1HG2 VAL 32 15.820 -7.869 -11.026 25 3HG2 VAL 32 3HG2 VAL 32 15.845 -6.767 -9.649 26 H ALA 33 H ALA 33 16.029 -9.849 -5.583 27 HA ALA 33 HA ALA 33 14.886 -12.453 -5.454 28 1HB ALA 33 3HB ALA 33 15.421 -10.142 -3.668 29 2HB ALA 33 2HB ALA 33 14.226 -11.298 -3.081 30 3HB ALA 33 1HB ALA 33 15.859 -11.838 -3.468 31 H CYS 34 H CYS 34 12.664 -12.882 -4.401 32 HA CYS 34 HA CYS 34 10.606 -11.698 -6.034 33 1HB CYS 34 2HB CYS 34 9.381 -13.468 -5.246 34 2HB CYS 34 1HB CYS 34 10.962 -14.038 -4.746 35 H LEU 35 H LEU 35 8.556 -10.776 -4.953 36 HA LEU 35 HA LEU 35 8.988 -8.250 -3.893 37 1HB LEU 35 2HB LEU 35 6.805 -10.202 -4.096 38 2HB LEU 35 1HB LEU 35 6.571 -8.999 -2.832 39 HG LEU 35 HG LEU 35 5.631 -8.220 -4.977 40 1HD1 LEU 35 3HD1 LEU 35 7.025 -6.750 -3.243 41 2HD1 LEU 35 2HD1 LEU 35 8.097 -6.564 -4.631 42 3HD1 LEU 35 1HD1 LEU 35 6.413 -6.055 -4.744 43 1HD2 LEU 35 3HD2 LEU 35 7.213 -9.498 -6.426 44 2HD2 LEU 35 2HD2 LEU 35 7.112 -7.797 -6.881 45 3HD2 LEU 35 1HD2 LEU 35 8.498 -8.383 -5.962 46 H SER 36 H SER 36 7.760 -10.910 -1.870 47 HA SER 36 HA SER 36 8.050 -9.763 0.643 48 1HB SER 36 2HB SER 36 8.203 -12.516 -0.506 49 2HB SER 36 1HB SER 36 8.615 -12.311 1.191 50 HG SER 36 HG SER 36 6.556 -11.068 1.264 51 H CYS 37 H CYS 37 10.545 -11.700 -1.048 52 HA CYS 37 HA CYS 37 12.591 -11.337 0.926 53 1HB CYS 37 2HB CYS 37 12.695 -11.879 -2.059 54 2HB CYS 37 1HB CYS 37 14.033 -12.139 -0.940 55 H ARG 38 H ARG 38 11.340 -9.259 -1.573 56 HA ARG 38 HA ARG 38 13.702 -7.581 -1.865 57 1HB ARG 38 2HB ARG 38 11.409 -8.016 -3.252 58 2HB ARG 38 1HB ARG 38 10.973 -6.534 -2.403 59 1HG ARG 38 2HG ARG 38 11.988 -5.891 -4.494 60 2HG ARG 38 1HG ARG 38 13.146 -5.533 -3.212 61 1HD ARG 38 2HD ARG 38 13.947 -8.033 -3.745 62 2HD ARG 38 1HD ARG 38 13.266 -7.634 -5.334 63 HE ARG 38 HE ARG 38 14.947 -5.975 -5.597 64 1HH1 ARG 38 2HH1 ARG 38 15.285 -4.120 -3.739 65 2HH1 ARG 38 1HH1 ARG 38 16.495 -4.648 -2.616 66 1HH2 ARG 38 1HH2 ARG 38 16.294 -7.980 -3.557 67 2HH2 ARG 38 2HH2 ARG 38 17.066 -6.833 -2.514 68 H LYS 39 H LYS 39 10.661 -7.359 -0.006 69 HA LYS 39 HA LYS 39 11.139 -4.768 1.128 70 1HB LYS 39 2HB LYS 39 8.950 -5.804 1.089 71 2HB LYS 39 1HB LYS 39 9.539 -7.194 2.002 72 1HG LYS 39 2HG LYS 39 9.837 -4.463 3.199 73 2HG LYS 39 1HG LYS 39 8.250 -5.232 3.231 74 1HD LYS 39 2HD LYS 39 9.793 -7.311 4.035 75 2HD LYS 39 1HD LYS 39 10.734 -5.965 4.678 76 1HE LYS 39 2HE LYS 39 7.755 -6.001 5.110 77 2HE LYS 39 1HE LYS 39 8.807 -6.978 6.154 78 1HZ LYS 39 2HZ LYS 39 9.465 -4.166 5.532 79 2HZ LYS 39 1HZ LYS 39 8.407 -4.545 6.806 80 3HZ LYS 39 3HZ LYS 39 10.002 -5.122 6.831 81 H ARG 40 H ARG 40 12.081 -8.040 2.129 82 HA ARG 40 HA ARG 40 13.403 -6.944 4.568 83 1HB ARG 40 2HB ARG 40 12.892 -9.764 3.574 84 2HB ARG 40 1HB ARG 40 13.540 -9.346 5.160 85 1HG ARG 40 2HG ARG 40 11.373 -7.835 5.278 86 2HG ARG 40 1HG ARG 40 10.776 -8.984 4.081 87 1HD ARG 40 2HD ARG 40 11.400 -10.859 5.637 88 2HD ARG 40 1HD ARG 40 11.812 -9.640 6.861 89 HE ARG 40 HE ARG 40 9.300 -8.860 6.086 90 1HH1 ARG 40 1HH2 ARG 40 8.088 -11.194 5.309 91 2HH1 ARG 40 2HH2 ARG 40 7.760 -12.102 6.747 92 1HH2 ARG 40 2HH1 ARG 40 9.997 -10.318 8.704 93 2HH2 ARG 40 1HH1 ARG 40 8.841 -11.607 8.668 94 H HIS 41 H HIS 41 14.197 -7.369 1.390 95 HA HIS 41 HA HIS 41 16.228 -7.642 0.237 96 1HB HIS 41 2HB HIS 41 17.127 -6.779 3.003 97 2HB HIS 41 1HB HIS 41 18.177 -6.806 1.590 98 HD1 HIS 41 HD1 HIS 41 16.111 -5.749 -0.499 99 HD2 HIS 41 HD2 HIS 41 16.803 -4.002 3.222 100 HE1 HIS 41 HE1 HIS 41 15.362 -3.338 -0.691 101 H ILE 42 H ILE 42 15.331 -10.086 0.758 102 HA ILE 42 HA ILE 42 17.435 -11.568 2.272 103 HB ILE 42 HB ILE 42 14.743 -12.446 1.175 104 1HG1 ILE 42 2HG1 ILE 42 14.497 -10.659 2.856 105 2HG1 ILE 42 1HG1 ILE 42 13.968 -12.206 3.517 106 1HG2 ILE 42 1HG2 ILE 42 16.765 -13.701 3.041 107 2HG2 ILE 42 3HG2 ILE 42 15.087 -14.236 2.970 108 3HG2 ILE 42 2HG2 ILE 42 16.114 -14.365 1.543 109 1HD1 ILE 42 2HD1 ILE 42 16.287 -12.473 4.495 110 2HD1 ILE 42 1HD1 ILE 42 16.608 -10.808 4.011 111 3HD1 ILE 42 3HD1 ILE 42 15.345 -11.154 5.191 112 H LYS 43 H LYS 43 18.192 -13.616 1.234 113 HA LYS 43 HA LYS 43 18.816 -13.170 -1.614 114 1HB LYS 43 2HB LYS 43 20.328 -15.113 -1.199 115 2HB LYS 43 1HB LYS 43 20.550 -13.831 -0.008 116 1HG LYS 43 2HG LYS 43 20.040 -15.258 1.653 117 2HG LYS 43 1HG LYS 43 18.475 -15.585 0.911 118 1HD LYS 43 2HD LYS 43 19.372 -17.707 0.810 119 2HD LYS 43 1HD LYS 43 19.982 -17.072 -0.720 120 1HE LYS 43 2HE LYS 43 22.067 -16.328 0.557 121 2HE LYS 43 1HE LYS 43 21.473 -17.315 1.907 122 1HZ LYS 43 3HZ LYS 43 21.722 -18.333 -0.868 123 2HZ LYS 43 2HZ LYS 43 22.940 -18.524 0.299 124 3HZ LYS 43 1HZ LYS 43 21.415 -19.232 0.537 125 H CYS 44 H CYS 44 16.765 -13.622 -2.638 126 HA CYS 44 HA CYS 44 15.157 -15.923 -2.141 127 1HB CYS 44 2HB CYS 44 14.807 -13.704 -3.499 128 2HB CYS 44 1HB CYS 44 15.464 -14.636 -4.843 129 HA PRO 45 HA PRO 45 17.873 -19.051 -3.865 130 1HB PRO 45 2HB PRO 45 15.640 -20.791 -4.375 131 2HB PRO 45 1HB PRO 45 16.807 -20.879 -3.052 132 1HG PRO 45 2HG PRO 45 14.052 -20.118 -2.904 133 2HG PRO 45 1HG PRO 45 15.233 -20.165 -1.592 134 1HD PRO 45 2HD PRO 45 14.094 -17.839 -2.885 135 2HD PRO 45 1HD PRO 45 15.245 -17.887 -1.527 136 H GLY 46 H GLY 46 14.713 -19.361 -5.510 137 1HA GLY 46 2HA GLY 46 14.908 -18.052 -7.846 138 2HA GLY 46 1HA GLY 46 16.103 -19.321 -8.117 139 H GLY 47 H GLY 47 12.691 -18.636 -7.764 140 1HA GLY 47 2HA GLY 47 11.859 -20.810 -9.374 141 2HA GLY 47 1HA GLY 47 11.728 -21.328 -7.692 142 H ASN 48 H ASN 48 9.446 -21.063 -9.313 143 HA ASN 48 HA ASN 48 8.087 -18.758 -7.969 144 1HB ASN 48 2HB ASN 48 8.468 -19.403 -10.814 145 2HB ASN 48 1HB ASN 48 6.797 -19.035 -10.383 146 1HD2 ASN 48 2HD2 ASN 48 7.743 -15.702 -9.142 147 2HD2 ASN 48 1HD2 ASN 48 6.850 -17.042 -8.599 148 HA PRO 49 HA PRO 49 6.880 -18.601 -6.407 149 1HB PRO 49 2HB PRO 49 6.517 -20.259 -4.094 150 2HB PRO 49 1HB PRO 49 5.442 -19.000 -4.694 151 1HG PRO 49 2HG PRO 49 4.980 -21.806 -4.706 152 2HG PRO 49 1HG PRO 49 3.968 -20.551 -5.424 153 1HD PRO 49 2HD PRO 49 5.691 -22.488 -6.767 154 2HD PRO 49 1HD PRO 49 4.519 -21.356 -7.486 155 H CYS 50 H CYS 50 8.676 -18.259 -4.819 156 HA CYS 50 HA CYS 50 11.021 -19.858 -5.428 157 1HB CYS 50 2HB CYS 50 12.104 -18.237 -3.929 158 2HB CYS 50 1HB CYS 50 10.990 -17.400 -5.003 159 H GLN 51 H GLN 51 11.818 -19.491 -2.393 160 HA GLN 51 HA GLN 51 10.274 -21.810 -1.312 161 1HB GLN 51 2HB GLN 51 12.384 -22.485 -2.537 162 2HB GLN 51 1HB GLN 51 13.296 -21.585 -1.323 163 1HG GLN 51 2HG GLN 51 13.307 -23.579 -0.217 164 2HG GLN 51 1HG GLN 51 11.686 -23.089 0.279 165 1HE2 GLN 51 2HE2 GLN 51 10.063 -25.577 -1.637 166 2HE2 GLN 51 1HE2 GLN 51 9.888 -24.245 -0.599 167 H LYS 52 H LYS 52 12.599 -19.186 -0.652 168 HA LYS 52 HA LYS 52 12.647 -19.418 2.190 169 1HB LYS 52 2HB LYS 52 13.277 -17.423 0.090 170 2HB LYS 52 1HB LYS 52 13.025 -16.765 1.709 171 1HG LYS 52 2HG LYS 52 14.866 -19.100 1.136 172 2HG LYS 52 1HG LYS 52 15.417 -17.425 1.204 173 1HD LYS 52 2HD LYS 52 15.201 -17.305 3.475 174 2HD LYS 52 1HD LYS 52 13.761 -18.324 3.493 175 1HE LYS 52 2HE LYS 52 15.238 -19.846 4.409 176 2HE LYS 52 1HE LYS 52 15.616 -20.151 2.702 177 1HZ LYS 52 3HZ LYS 52 16.923 -17.972 4.216 178 2HZ LYS 52 2HZ LYS 52 17.554 -19.550 4.219 179 3HZ LYS 52 1HZ LYS 52 17.419 -18.688 2.761 180 H CYS 53 H CYS 53 10.244 -18.065 0.038 181 HA CYS 53 HA CYS 53 8.815 -16.747 2.288 182 1HB CYS 53 2HB CYS 53 8.737 -16.813 -0.693 183 2HB CYS 53 1HB CYS 53 7.330 -16.225 0.181 184 H VAL 54 H VAL 54 8.435 -19.334 -0.118 185 HA VAL 54 HA VAL 54 5.760 -20.072 0.552 186 HB VAL 54 HB VAL 54 7.947 -21.990 -0.306 187 1HG1 VAL 54 2HG1 VAL 54 5.221 -22.287 0.075 188 2HG1 VAL 54 1HG1 VAL 54 5.348 -22.013 -1.664 189 3HG1 VAL 54 3HG1 VAL 54 6.235 -23.341 -0.911 190 1HG2 VAL 54 3HG2 VAL 54 6.601 -19.811 -1.914 191 2HG2 VAL 54 2HG2 VAL 54 8.322 -20.186 -1.808 192 3HG2 VAL 54 1HG2 VAL 54 7.238 -21.267 -2.677 193 H THR 55 H THR 55 8.900 -20.814 1.878 194 HA THR 55 HA THR 55 8.018 -22.866 3.724 195 HB THR 55 HB THR 55 10.300 -22.580 2.757 196 HG1 THR 55 HG1 THR 55 11.080 -23.475 4.490 197 1HG2 THR 55 2HG2 THR 55 10.126 -20.019 3.076 198 2HG2 THR 55 1HG2 THR 55 10.717 -20.334 4.705 199 3HG2 THR 55 3HG2 THR 55 11.695 -20.783 3.308 200 H SER 56 H SER 56 8.544 -19.360 3.880 201 HA SER 56 HA SER 56 8.035 -19.280 6.782 202 1HB SER 56 2HB SER 56 8.881 -17.464 4.587 203 2HB SER 56 1HB SER 56 8.004 -16.700 5.910 204 HG SER 56 HG SER 56 10.287 -18.379 6.147 205 H ASN 57 H ASN 57 6.570 -17.083 4.438 206 HA ASN 57 HA ASN 57 3.968 -18.101 4.292 207 1HB ASN 57 2HB ASN 57 2.917 -16.586 6.085 208 2HB ASN 57 1HB ASN 57 3.778 -18.003 6.663 209 1HD2 ASN 57 2HD2 ASN 57 5.632 -15.866 8.777 210 2HD2 ASN 57 1HD2 ASN 57 4.618 -17.221 8.653 211 H ALA 58 H ALA 58 5.770 -16.548 2.751 212 HA ALA 58 HA ALA 58 4.232 -13.983 2.455 213 1HB ALA 58 3HB ALA 58 6.965 -14.489 2.968 214 2HB ALA 58 2HB ALA 58 6.879 -13.940 1.294 215 3HB ALA 58 1HB ALA 58 6.225 -12.935 2.587 216 H ILE 59 H ILE 59 3.832 -13.293 0.272 217 HA ILE 59 HA ILE 59 3.438 -15.422 -1.650 218 HB ILE 59 HB ILE 59 3.295 -12.403 -1.917 219 1HG1 ILE 59 2HG1 ILE 59 0.908 -14.174 -1.529 220 2HG1 ILE 59 1HG1 ILE 59 1.877 -13.749 -0.115 221 1HG2 ILE 59 1HG2 ILE 59 3.351 -13.697 -4.058 222 2HG2 ILE 59 3HG2 ILE 59 1.928 -14.586 -3.516 223 3HG2 ILE 59 2HG2 ILE 59 1.825 -12.848 -3.805 224 1HD1 ILE 59 2HD1 ILE 59 1.119 -11.560 -2.001 225 2HD1 ILE 59 1HD1 ILE 59 -0.128 -12.194 -0.927 226 3HD1 ILE 59 3HD1 ILE 59 1.349 -11.504 -0.254 227 H CYS 60 H CYS 60 4.627 -15.800 -3.501 228 HA CYS 60 HA CYS 60 7.270 -14.412 -3.699 229 1HB CYS 60 2HB CYS 60 6.614 -17.137 -4.820 230 2HB CYS 60 1HB CYS 60 8.175 -16.492 -4.339 231 H GLU 61 H GLU 61 7.200 -12.978 -5.404 232 HA GLU 61 HA GLU 61 6.318 -13.973 -8.049 233 1HB GLU 61 2HB GLU 61 4.883 -12.017 -6.321 234 2HB GLU 61 1HB GLU 61 4.982 -11.626 -8.038 235 1HG GLU 61 2HG GLU 61 4.349 -14.409 -7.777 236 2HG GLU 61 1HG GLU 61 3.236 -13.485 -6.769 237 H TYR 62 H TYR 62 7.238 -12.742 -9.765 238 HA TYR 62 HA TYR 62 9.297 -10.739 -8.903 239 1HB TYR 62 2HB TYR 62 9.129 -12.586 -11.309 240 2HB TYR 62 1HB TYR 62 10.466 -11.489 -10.966 241 HD1 TYR 62 HD1 TYR 62 11.242 -11.687 -8.315 242 HD2 TYR 62 HD2 TYR 62 9.523 -14.817 -10.741 243 HE1 TYR 62 HE1 TYR 62 12.273 -13.404 -6.830 244 HE2 TYR 62 HE2 TYR 62 10.555 -16.533 -9.257 245 HH TYR 62 HH TYR 62 11.415 -16.741 -7.001 246 H LEU 63 H LEU 63 9.810 -9.727 -11.498 247 HA LEU 63 HA LEU 63 7.495 -7.934 -11.831 248 1HB LEU 63 2HB LEU 63 10.365 -8.057 -12.483 249 2HB LEU 63 1HB LEU 63 9.385 -7.296 -13.738 250 HG LEU 63 HG LEU 63 8.502 -6.365 -11.164 251 1HD1 LEU 63 1HD1 LEU 63 11.443 -6.582 -11.574 252 2HD1 LEU 63 3HD1 LEU 63 10.842 -5.044 -10.953 253 3HD1 LEU 63 2HD1 LEU 63 10.516 -6.538 -10.074 254 1HD2 LEU 63 2HD2 LEU 63 9.627 -5.251 -13.708 255 2HD2 LEU 63 1HD2 LEU 63 8.070 -4.937 -12.943 256 3HD2 LEU 63 3HD2 LEU 63 9.533 -4.193 -12.300 257 H GLU 64 H GLU 64 6.263 -10.046 -12.595 258 HA GLU 64 HA GLU 64 6.766 -11.291 -15.085 259 1HB GLU 64 2HB GLU 64 4.316 -11.775 -14.976 260 2HB GLU 64 1HB GLU 64 5.122 -12.044 -13.431 261 1HG GLU 64 2HG GLU 64 4.321 -9.966 -12.546 262 2HG GLU 64 1HG GLU 64 3.766 -9.432 -14.134 263 HA PRO 65 HA PRO 65 6.002 -8.119 -18.082 264 1HB PRO 65 2HB PRO 65 4.665 -9.895 -19.906 265 2HB PRO 65 1HB PRO 65 6.338 -9.336 -19.963 266 1HG PRO 65 2HG PRO 65 5.406 -11.961 -19.340 267 2HG PRO 65 1HG PRO 65 7.072 -11.377 -19.324 268 1HD PRO 65 2HD PRO 65 5.381 -12.024 -17.043 269 2HD PRO 65 1HD PRO 65 7.092 -11.524 -17.047 270 H SER 66 H SER 66 4.322 -6.661 -18.362 271 HA SER 66 HA SER 66 1.559 -7.378 -18.738 272 1HB SER 66 2HB SER 66 1.541 -8.111 -16.485 273 2HB SER 66 1HB SER 66 2.590 -6.798 -15.960 274 HG SER 66 HG SER 66 -0.036 -6.868 -15.940 275 H LYS 67 H LYS 67 1.056 -5.640 -20.038 276 HA LYS 67 HA LYS 67 1.520 -2.904 -18.955 277 1HB LYS 67 2HB LYS 67 3.232 -4.129 -20.753 278 2HB LYS 67 1HB LYS 67 2.170 -3.191 -21.804 279 1HG LYS 67 2HG LYS 67 2.666 -1.155 -20.611 280 2HG LYS 67 1HG LYS 67 3.543 -2.039 -19.362 281 1HD LYS 67 2HD LYS 67 4.732 -2.812 -21.791 282 2HD LYS 67 1HD LYS 67 4.502 -1.067 -21.916 283 1HE LYS 67 2HE LYS 67 6.422 -0.909 -20.694 284 2HE LYS 67 1HE LYS 67 5.424 -1.397 -19.310 285 1HZ LYS 67 3HZ LYS 67 6.617 -3.340 -21.206 286 2HZ LYS 67 2HZ LYS 67 7.394 -2.864 -19.772 287 3HZ LYS 67 1HZ LYS 67 5.896 -3.665 -19.706 288 H LYS 68 H LYS 68 -0.755 -4.924 -19.921 289 HA LYS 68 HA LYS 68 -2.126 -3.041 -21.792 290 1HB LYS 68 2HB LYS 68 -2.272 -5.971 -21.159 291 2HB LYS 68 1HB LYS 68 -3.664 -5.176 -21.893 292 1HG LYS 68 2HG LYS 68 -2.171 -6.132 -23.616 293 2HG LYS 68 1HG LYS 68 -2.253 -4.374 -23.740 294 1HD LYS 68 2HD LYS 68 -0.114 -4.088 -22.774 295 2HD LYS 68 1HD LYS 68 -0.095 -5.728 -22.123 296 1HE LYS 68 2HE LYS 68 1.329 -5.845 -24.029 297 2HE LYS 68 1HE LYS 68 -0.219 -6.480 -24.621 298 1HZ LYS 68 3HZ LYS 68 -0.782 -4.104 -25.180 299 2HZ LYS 68 2HZ LYS 68 0.855 -3.733 -24.922 300 3HZ LYS 68 1HZ LYS 68 0.410 -4.819 -26.151 301 H ILE 69 H ILE 69 -4.027 -2.018 -21.148 302 HA ILE 69 HA ILE 69 -4.722 -2.133 -18.294 303 HB ILE 69 HB ILE 69 -4.568 -0.064 -19.756 304 1HG1 ILE 69 2HG1 ILE 69 -6.717 0.921 -18.818 305 2HG1 ILE 69 1HG1 ILE 69 -7.097 -0.698 -18.231 306 1HG2 ILE 69 3HG2 ILE 69 -7.116 -1.232 -20.891 307 2HG2 ILE 69 2HG2 ILE 69 -6.644 0.455 -21.079 308 3HG2 ILE 69 1HG2 ILE 69 -5.645 -0.821 -21.768 309 1HD1 ILE 69 3HD1 ILE 69 -4.438 -0.252 -17.454 310 2HD1 ILE 69 2HD1 ILE 69 -5.271 1.267 -17.122 311 3HD1 ILE 69 1HD1 ILE 69 -5.858 -0.236 -16.408 312 H VAL 70 H VAL 70 -6.681 -2.926 -17.455 313 HA VAL 70 HA VAL 70 -8.715 -4.015 -19.311 314 HB VAL 70 HB VAL 70 -7.562 -5.801 -17.163 315 1HG1 VAL 70 3HG1 VAL 70 -9.803 -6.083 -18.523 316 2HG1 VAL 70 2HG1 VAL 70 -8.721 -6.641 -19.798 317 3HG1 VAL 70 1HG1 VAL 70 -8.761 -7.480 -18.246 318 1HG2 VAL 70 2HG2 VAL 70 -6.612 -5.530 -20.037 319 2HG2 VAL 70 1HG2 VAL 70 -5.646 -5.279 -18.582 320 3HG2 VAL 70 3HG2 VAL 70 -6.220 -6.896 -18.992 321 H VAL 71 H VAL 71 -10.237 -2.583 -18.386 322 HA VAL 71 HA VAL 71 -11.161 -3.307 -15.677 323 HB VAL 71 HB VAL 71 -10.162 -0.555 -16.468 324 1HG1 VAL 71 3HG1 VAL 71 -12.057 -1.448 -14.396 325 2HG1 VAL 71 2HG1 VAL 71 -10.727 -0.466 -13.780 326 3HG1 VAL 71 1HG1 VAL 71 -11.779 0.167 -15.045 327 1HG2 VAL 71 2HG2 VAL 71 -9.234 -2.681 -14.531 328 2HG2 VAL 71 1HG2 VAL 71 -8.315 -1.906 -15.820 329 3HG2 VAL 71 3HG2 VAL 71 -8.737 -0.997 -14.370 330 H SER 72 H SER 72 -11.920 -0.202 -17.180 331 HA SER 72 HA SER 72 -14.474 -1.272 -18.263 332 1HB SER 72 2HB SER 72 -15.109 -0.841 -16.046 333 2HB SER 72 1HB SER 72 -14.060 0.572 -15.925 334 HG SER 72 HG SER 72 -16.580 0.604 -16.440 335 H THR 73 H THR 73 -14.559 -0.378 -20.300 336 HA THR 73 HA THR 73 -13.061 1.831 -21.243 337 HB THR 73 HB THR 73 -14.193 0.144 -22.640 338 HG1 THR 73 HG1 THR 73 -15.305 2.702 -23.122 339 1HG2 THR 73 2HG2 THR 73 -16.256 0.180 -21.069 340 2HG2 THR 73 1HG2 THR 73 -16.804 1.528 -22.066 341 3HG2 THR 73 3HG2 THR 73 -16.531 -0.054 -22.795 342 H LYS 74 H LYS 74 -16.374 1.760 -19.891 343 HA LYS 74 HA LYS 74 -17.094 4.456 -20.343 344 1HB LYS 74 2HB LYS 74 -18.223 2.299 -19.197 345 2HB LYS 74 1HB LYS 74 -17.752 3.168 -17.737 346 1HG LYS 74 2HG LYS 74 -19.238 4.532 -19.984 347 2HG LYS 74 1HG LYS 74 -20.084 3.690 -18.685 348 1HD LYS 74 2HD LYS 74 -18.331 5.179 -17.236 349 2HD LYS 74 1HD LYS 74 -18.590 6.247 -18.617 350 1HE LYS 74 2HE LYS 74 -20.707 6.746 -17.953 351 2HE LYS 74 1HE LYS 74 -21.080 5.046 -17.604 352 1HZ LYS 74 2HZ LYS 74 -19.305 6.720 -15.912 353 2HZ LYS 74 1HZ LYS 74 -20.959 6.497 -15.593 354 3HZ LYS 74 3HZ LYS 74 -19.905 5.169 -15.558 355 H TYR 75 H TYR 75 -15.107 3.014 -17.786 356 HA TYR 75 HA TYR 75 -14.802 5.405 -16.202 357 1HB TYR 75 2HB TYR 75 -14.348 3.374 -15.123 358 2HB TYR 75 1HB TYR 75 -13.492 2.715 -16.510 359 HD1 TYR 75 HD1 TYR 75 -13.024 5.988 -14.723 360 HD2 TYR 75 HD2 TYR 75 -11.341 2.147 -15.744 361 HE1 TYR 75 HE1 TYR 75 -10.853 6.667 -13.703 362 HE2 TYR 75 HE2 TYR 75 -9.178 2.820 -14.723 363 HH TYR 75 HH TYR 75 -8.544 6.103 -13.736 364 H LEU 76 H LEU 76 -12.702 3.847 -18.658 365 HA LEU 76 HA LEU 76 -10.675 5.883 -18.629 366 1HB LEU 76 2HB LEU 76 -11.584 3.743 -20.564 367 2HB LEU 76 1HB LEU 76 -10.252 4.817 -20.967 368 HG LEU 76 HG LEU 76 -9.256 2.871 -20.030 369 1HD1 LEU 76 2HD1 LEU 76 -8.764 5.298 -18.966 370 2HD1 LEU 76 1HD1 LEU 76 -9.284 4.449 -17.511 371 3HD1 LEU 76 3HD1 LEU 76 -7.917 3.842 -18.444 372 1HD2 LEU 76 1HD2 LEU 76 -11.314 1.958 -19.011 373 2HD2 LEU 76 3HD2 LEU 76 -9.949 1.890 -17.900 374 3HD2 LEU 76 2HD2 LEU 76 -11.178 3.134 -17.707 375 H GLN 77 H GLN 77 -13.717 5.518 -20.380 376 HA GLN 77 HA GLN 77 -13.333 7.548 -22.358 377 1HB GLN 77 2HB GLN 77 -15.331 5.765 -21.444 378 2HB GLN 77 1HB GLN 77 -16.052 7.374 -21.384 379 1HG GLN 77 2HG GLN 77 -16.444 7.047 -23.599 380 2HG GLN 77 1HG GLN 77 -14.739 7.456 -23.789 381 1HE2 GLN 77 2HE2 GLN 77 -13.728 4.081 -24.417 382 2HE2 GLN 77 1HE2 GLN 77 -13.183 5.599 -23.888 383 H GLN 78 H GLN 78 -14.932 7.719 -19.150 384 HA GLN 78 HA GLN 78 -15.531 10.489 -19.154 385 1HB GLN 78 2HB GLN 78 -15.313 8.251 -17.295 386 2HB GLN 78 1HB GLN 78 -14.842 9.771 -16.533 387 1HG GLN 78 2HG GLN 78 -17.398 9.408 -18.120 388 2HG GLN 78 1HG GLN 78 -17.305 9.264 -16.364 389 1HE2 GLN 78 2HE2 GLN 78 -16.895 12.774 -15.832 390 2HE2 GLN 78 1HE2 GLN 78 -16.656 11.242 -15.142 391 H LEU 79 H LEU 79 -12.513 8.781 -18.582 392 HA LEU 79 HA LEU 79 -11.038 10.939 -17.369 393 1HB LEU 79 2HB LEU 79 -10.688 8.277 -17.883 394 2HB LEU 79 1HB LEU 79 -9.638 8.994 -19.107 395 HG LEU 79 HG LEU 79 -8.574 10.376 -17.310 396 1HD1 LEU 79 2HD1 LEU 79 -10.801 9.737 -15.849 397 2HD1 LEU 79 1HD1 LEU 79 -9.616 8.612 -15.183 398 3HD1 LEU 79 3HD1 LEU 79 -9.300 10.347 -15.152 399 1HD2 LEU 79 2HD2 LEU 79 -8.172 7.695 -17.945 400 2HD2 LEU 79 1HD2 LEU 79 -7.052 8.723 -17.053 401 3HD2 LEU 79 3HD2 LEU 79 -8.198 7.704 -16.182 402 H GLN 80 H GLN 80 -11.220 9.745 -20.724 403 HA GLN 80 HA GLN 80 -9.479 11.621 -21.929 404 1HB GLN 80 2HB GLN 80 -11.406 9.597 -22.622 405 2HB GLN 80 1HB GLN 80 -11.610 10.982 -23.691 406 1HG GLN 80 2HG GLN 80 -9.654 10.575 -24.753 407 2HG GLN 80 1HG GLN 80 -8.797 10.323 -23.233 408 1HE2 GLN 80 2HE2 GLN 80 -10.025 6.785 -23.192 409 2HE2 GLN 80 1HE2 GLN 80 -10.228 8.125 -22.171 410 H LYS 81 H LYS 81 -13.056 11.764 -21.595 411 HA LYS 81 HA LYS 81 -13.456 14.310 -22.777 412 1HB LYS 81 2HB LYS 81 -14.862 12.382 -21.147 413 2HB LYS 81 1HB LYS 81 -15.219 14.009 -20.569 414 1HG LYS 81 2HG LYS 81 -15.557 14.568 -23.098 415 2HG LYS 81 1HG LYS 81 -15.721 12.822 -23.288 416 1HD LYS 81 2HD LYS 81 -17.936 13.593 -22.928 417 2HD LYS 81 1HD LYS 81 -17.430 12.945 -21.368 418 1HE LYS 81 2HE LYS 81 -16.948 15.168 -20.523 419 2HE LYS 81 1HE LYS 81 -17.229 15.882 -22.123 420 1HZ LYS 81 3HZ LYS 81 -19.486 14.927 -22.058 421 2HZ LYS 81 2HZ LYS 81 -19.210 14.416 -20.462 422 3HZ LYS 81 1HZ LYS 81 -19.232 16.074 -20.835 423 H ASP 82 H ASP 82 -12.466 13.431 -19.478 424 HA ASP 82 HA ASP 82 -12.648 15.983 -18.248 425 1HB ASP 82 2HB ASP 82 -11.770 13.453 -17.607 426 2HB ASP 82 1HB ASP 82 -10.256 14.359 -17.634 427 H LEU 83 H LEU 83 -10.236 14.582 -20.419 428 HA LEU 83 HA LEU 83 -8.253 16.647 -20.216 429 1HB LEU 83 2HB LEU 83 -8.699 14.228 -21.585 430 2HB LEU 83 1HB LEU 83 -8.518 15.445 -22.851 431 HG LEU 83 HG LEU 83 -6.601 15.448 -20.547 432 1HD1 LEU 83 2HD1 LEU 83 -6.887 13.348 -22.617 433 2HD1 LEU 83 1HD1 LEU 83 -5.259 14.001 -22.439 434 3HD1 LEU 83 3HD1 LEU 83 -6.076 13.279 -21.053 435 1HD2 LEU 83 3HD2 LEU 83 -6.817 16.515 -23.307 436 2HD2 LEU 83 2HD2 LEU 83 -6.031 17.211 -21.890 437 3HD2 LEU 83 1HD2 LEU 83 -5.211 15.964 -22.830 438 H ASN 84 H ASN 84 -10.913 16.111 -22.557 439 HA ASN 84 HA ASN 84 -10.588 18.545 -24.016 440 1HB ASN 84 2HB ASN 84 -12.216 16.327 -24.027 441 2HB ASN 84 1HB ASN 84 -13.340 17.596 -23.549 442 1HD2 ASN 84 1HD2 ASN 84 -14.452 17.898 -25.539 443 2HD2 ASN 84 2HD2 ASN 84 -13.685 18.382 -26.975 444 H ASP 85 H ASP 85 -11.985 17.786 -20.893 445 HA ASP 85 HA ASP 85 -13.460 20.260 -20.536 446 1HB ASP 85 2HB ASP 85 -13.213 17.828 -19.262 447 2HB ASP 85 1HB ASP 85 -12.325 18.892 -18.170 448 H LYS 86 H LYS 86 -10.113 19.388 -20.443 449 HA LYS 86 HA LYS 86 -9.237 21.580 -18.701 450 1HB LYS 86 2HB LYS 86 -7.938 19.505 -18.993 451 2HB LYS 86 1HB LYS 86 -7.806 19.812 -20.716 452 1HG LYS 86 2HG LYS 86 -6.479 21.775 -20.355 453 2HG LYS 86 1HG LYS 86 -6.782 21.730 -18.619 454 1HD LYS 86 2HD LYS 86 -4.602 20.805 -18.903 455 2HD LYS 86 1HD LYS 86 -5.666 19.423 -18.635 456 1HE LYS 86 2HE LYS 86 -4.446 18.722 -20.518 457 2HE LYS 86 1HE LYS 86 -5.864 19.467 -21.283 458 1HZ LYS 86 1HZ LYS 86 -3.474 21.054 -20.565 459 2HZ LYS 86 3HZ LYS 86 -3.585 20.260 -22.059 460 3HZ LYS 86 2HZ LYS 86 -4.722 21.453 -21.647 461 H THR 87 H THR 87 -9.702 20.908 -22.092 462 HA THR 87 HA THR 87 -8.471 23.332 -23.063 463 HB THR 87 HB THR 87 -10.156 21.045 -24.072 464 HG1 THR 87 HG1 THR 87 -8.360 20.907 -25.482 465 1HG2 THR 87 3HG2 THR 87 -9.722 23.653 -25.541 466 2HG2 THR 87 2HG2 THR 87 -10.064 22.138 -26.375 467 3HG2 THR 87 1HG2 THR 87 -11.243 22.810 -25.248 468 H GLU 88 H GLU 88 -11.810 22.230 -22.432 469 HA GLU 88 HA GLU 88 -13.135 24.668 -23.174 470 1HB GLU 88 2HB GLU 88 -13.731 22.305 -21.386 471 2HB GLU 88 1HB GLU 88 -14.876 23.640 -21.524 472 1HG GLU 88 2HG GLU 88 -14.400 23.227 -24.140 473 2HG GLU 88 1HG GLU 88 -14.102 21.594 -23.543 474 H GLU 89 H GLU 89 -11.584 23.518 -20.219 475 HA GLU 89 HA GLU 89 -12.463 25.730 -18.537 476 1HB GLU 89 2HB GLU 89 -10.589 23.420 -18.457 477 2HB GLU 89 1HB GLU 89 -10.200 24.764 -17.384 478 1HG GLU 89 2HG GLU 89 -13.048 23.948 -17.419 479 2HG GLU 89 1HG GLU 89 -11.930 22.776 -16.718 480 H ASN 90 H ASN 90 -9.386 24.897 -20.155 481 HA ASN 90 HA ASN 90 -7.909 27.238 -19.598 482 1HB ASN 90 2HB ASN 90 -7.992 25.060 -21.599 483 2HB ASN 90 1HB ASN 90 -7.187 26.519 -22.160 484 1HD2 ASN 90 2HD2 ASN 90 -5.318 24.120 -19.516 485 2HD2 ASN 90 1HD2 ASN 90 -6.789 23.695 -20.250 486 H ASN 91 H ASN 91 -10.549 26.646 -21.810 487 HA ASN 91 HA ASN 91 -10.232 29.093 -23.368 488 1HB ASN 91 2HB ASN 91 -12.081 26.776 -23.086 489 2HB ASN 91 1HB ASN 91 -12.777 28.238 -23.782 490 1HD2 ASN 91 2HD2 ASN 91 -9.838 26.237 -25.840 491 2HD2 ASN 91 1HD2 ASN 91 -10.028 25.960 -24.176 492 H ARG 92 H ARG 92 -12.243 28.021 -20.630 493 HA ARG 92 HA ARG 92 -13.642 30.601 -20.448 494 1HB ARG 92 2HB ARG 92 -14.428 28.185 -19.872 495 2HB ARG 92 1HB ARG 92 -13.541 28.424 -18.368 496 1HG ARG 92 2HG ARG 92 -14.935 30.172 -17.668 497 2HG ARG 92 1HG ARG 92 -15.501 30.502 -19.305 498 1HD ARG 92 2HD ARG 92 -17.254 29.101 -19.009 499 2HD ARG 92 1HD ARG 92 -16.152 27.775 -18.584 500 HE ARG 92 HE ARG 92 -16.064 28.946 -16.265 501 1HH1 ARG 92 1HH2 ARG 92 -18.312 30.699 -17.784 502 2HH1 ARG 92 2HH2 ARG 92 -19.678 30.211 -16.837 503 1HH2 ARG 92 2HH1 ARG 92 -18.008 27.585 -15.307 504 2HH2 ARG 92 1HH1 ARG 92 -19.505 28.446 -15.433 505 H LEU 93 H LEU 93 -11.493 28.772 -18.224 506 HA LEU 93 HA LEU 93 -11.021 30.746 -16.300 507 1HB LEU 93 2HB LEU 93 -10.240 28.322 -16.429 508 2HB LEU 93 1HB LEU 93 -8.929 28.887 -17.464 509 HG LEU 93 HG LEU 93 -8.721 30.657 -15.413 510 1HD1 LEU 93 1HD1 LEU 93 -9.853 28.078 -14.317 511 2HD1 LEU 93 3HD1 LEU 93 -8.851 29.147 -13.337 512 3HD1 LEU 93 2HD1 LEU 93 -10.384 29.727 -13.988 513 1HD2 LEU 93 2HD2 LEU 93 -7.408 28.161 -16.235 514 2HD2 LEU 93 1HD2 LEU 93 -6.693 29.708 -15.780 515 3HD2 LEU 93 3HD2 LEU 93 -7.157 28.550 -14.533 516 H LYS 94 H LYS 94 -9.718 30.486 -19.562 517 HA LYS 94 HA LYS 94 -7.691 32.559 -19.209 518 1HB LYS 94 2HB LYS 94 -7.451 30.779 -20.858 519 2HB LYS 94 1HB LYS 94 -8.979 31.228 -21.617 520 1HG LYS 94 2HG LYS 94 -7.371 33.576 -21.495 521 2HG LYS 94 1HG LYS 94 -6.362 32.279 -22.136 522 1HD LYS 94 2HD LYS 94 -8.391 31.733 -23.657 523 2HD LYS 94 1HD LYS 94 -8.963 33.346 -23.225 524 1HE LYS 94 2HE LYS 94 -7.285 34.404 -24.407 525 2HE LYS 94 1HE LYS 94 -6.117 33.099 -24.116 526 1HZ LYS 94 2HZ LYS 94 -7.687 31.681 -25.503 527 2HZ LYS 94 1HZ LYS 94 -8.380 33.144 -26.022 528 3HZ LYS 94 3HZ LYS 94 -6.744 32.823 -26.338 529 H ALA 95 H ALA 95 -11.050 32.397 -20.347 530 HA ALA 95 HA ALA 95 -10.986 35.291 -21.047 531 1HB ALA 95 2HB ALA 95 -12.392 32.906 -21.864 532 2HB ALA 95 1HB ALA 95 -13.556 34.143 -21.386 533 3HB ALA 95 3HB ALA 95 -12.368 34.489 -22.643 534 H LEU 96 H LEU 96 -11.594 33.419 -18.308 535 HA LEU 96 HA LEU 96 -13.744 35.213 -17.290 536 1HB LEU 96 2HB LEU 96 -13.619 32.593 -17.205 537 2HB LEU 96 1HB LEU 96 -12.522 32.867 -15.851 538 HG LEU 96 HG LEU 96 -15.038 34.440 -15.819 539 1HD1 LEU 96 1HD1 LEU 96 -15.708 32.132 -16.614 540 2HD1 LEU 96 3HD1 LEU 96 -15.040 31.494 -15.111 541 3HD1 LEU 96 2HD1 LEU 96 -16.409 32.606 -15.065 542 1HD2 LEU 96 2HD2 LEU 96 -12.959 33.815 -14.065 543 2HD2 LEU 96 1HD2 LEU 96 -14.485 34.586 -13.630 544 3HD2 LEU 96 3HD2 LEU 96 -14.310 32.837 -13.489 545 H LEU 97 H LEU 97 -10.323 34.681 -17.077 546 HA LEU 97 HA LEU 97 -10.196 36.441 -14.653 547 1HB LEU 97 2HB LEU 97 -8.349 34.273 -15.696 548 2HB LEU 97 1HB LEU 97 -8.016 35.263 -14.278 549 HG LEU 97 HG LEU 97 -10.542 33.624 -14.562 550 1HD1 LEU 97 2HD1 LEU 97 -8.208 32.382 -14.559 551 2HD1 LEU 97 1HD1 LEU 97 -8.232 32.782 -12.842 552 3HD1 LEU 97 3HD1 LEU 97 -9.522 31.801 -13.537 553 1HD2 LEU 97 1HD2 LEU 97 -9.846 35.650 -12.817 554 2HD2 LEU 97 3HD2 LEU 97 -11.050 34.402 -12.490 555 3HD2 LEU 97 2HD2 LEU 97 -9.394 34.203 -11.916 556 H LEU 98 H LEU 98 -9.287 36.059 -17.986 557 HA LEU 98 HA LEU 98 -7.002 37.831 -17.978 558 1HB LEU 98 2HB LEU 98 -7.418 36.136 -19.692 559 2HB LEU 98 1HB LEU 98 -8.944 36.907 -20.119 560 HG LEU 98 HG LEU 98 -7.059 38.959 -20.244 561 1HD1 LEU 98 1HD1 LEU 98 -5.872 36.334 -20.919 562 2HD1 LEU 98 3HD1 LEU 98 -5.638 37.594 -22.129 563 3HD1 LEU 98 2HD1 LEU 98 -5.081 37.846 -20.474 564 1HD2 LEU 98 2HD2 LEU 98 -9.055 38.448 -21.722 565 2HD2 LEU 98 1HD2 LEU 98 -7.616 38.980 -22.591 566 3HD2 LEU 98 3HD2 LEU 98 -8.046 37.270 -22.558 567 H GLU 99 H GLU 99 -10.466 38.248 -18.169 568 HA GLU 99 HA GLU 99 -10.464 40.933 -19.256 569 1HB GLU 99 2HB GLU 99 -12.290 38.968 -18.835 570 2HB GLU 99 1HB GLU 99 -12.649 40.016 -17.463 571 1HG GLU 99 2HG GLU 99 -13.505 41.656 -18.784 572 2HG GLU 99 1HG GLU 99 -12.248 41.452 -20.005 573 H ARG 100 HN ARG 100 -10.057 39.590 -16.042 574 HA ARG 100 HA ARG 100 -9.192 42.145 -14.964 575 1HB ARG 100 2HB ARG 100 -11.110 42.415 -13.412 576 2HB ARG 100 1HB ARG 100 -11.634 42.486 -15.095 577 1HG ARG 100 2HG ARG 100 -13.128 40.881 -14.541 578 2HG ARG 100 1HG ARG 100 -11.753 39.778 -14.514 579 1HD ARG 100 2HD ARG 100 -11.420 40.208 -12.114 580 2HD ARG 100 1HD ARG 100 -12.768 41.362 -12.126 581 HE ARG 100 HE ARG 100 -13.718 38.948 -13.267 582 1HH1 ARG 100 1HH2 ARG 100 -14.998 40.364 -10.941 583 2HH1 ARG 100 2HH2 ARG 100 -14.833 39.192 -9.676 584 1HH2 ARG 100 1HH1 ARG 100 -12.428 37.336 -11.348 585 2HH2 ARG 100 2HH1 ARG 100 -13.379 37.479 -9.906 586 1H MET 30 2H MET 30 -21.301 -16.697 -6.231 587 2H MET 30 1H MET 30 -20.813 -18.028 -5.296 588 3H MET 30 3H MET 30 -19.847 -16.635 -5.354 589 HA MET 30 HA MET 30 -18.769 -18.139 -6.784 590 1HB MET 30 2HB MET 30 -21.460 -19.091 -6.903 591 2HB MET 30 1HB MET 30 -20.909 -18.835 -8.559 592 1HG MET 30 2HG MET 30 -19.358 -20.502 -8.439 593 2HG MET 30 1HG MET 30 -18.943 -20.129 -6.765 594 1HE MET 30 2HE MET 30 -18.621 -22.176 -6.049 595 2HE MET 30 1HE MET 30 -19.807 -23.401 -5.607 596 3HE MET 30 3HE MET 30 -19.154 -23.350 -7.250 597 H SER 31 H SER 31 -18.952 -18.077 -9.484 598 HA SER 31 HA SER 31 -20.007 -15.606 -10.577 599 1HB SER 31 2HB SER 31 -18.008 -14.320 -10.633 600 2HB SER 31 1HB SER 31 -18.052 -14.987 -9.004 601 HG SER 31 HG SER 31 -16.214 -15.872 -9.475 602 H VAL 32 H VAL 32 -17.931 -15.253 -12.550 603 HA VAL 32 HA VAL 32 -18.488 -17.621 -14.238 604 HB VAL 32 HB VAL 32 -17.095 -14.979 -14.793 605 1HG1 VAL 32 2HG1 VAL 32 -16.767 -17.044 -16.347 606 2HG1 VAL 32 1HG1 VAL 32 -18.448 -16.770 -16.804 607 3HG1 VAL 32 3HG1 VAL 32 -17.243 -15.512 -17.081 608 1HG2 VAL 32 3HG2 VAL 32 -19.977 -15.872 -15.098 609 2HG2 VAL 32 2HG2 VAL 32 -19.371 -14.558 -14.091 610 3HG2 VAL 32 1HG2 VAL 32 -19.323 -14.416 -15.848 611 H ALA 33 H ALA 33 -16.901 -19.072 -14.888 612 HA ALA 33 HA ALA 33 -14.305 -18.969 -13.483 613 1HB ALA 33 1HB ALA 33 -16.025 -20.913 -14.918 614 2HB ALA 33 3HB ALA 33 -14.290 -21.205 -15.045 615 3HB ALA 33 2HB ALA 33 -15.060 -21.135 -13.459 616 H CYS 34 H CYS 34 -12.264 -19.145 -14.674 617 HA CYS 34 HA CYS 34 -11.968 -17.357 -16.865 618 1HB CYS 34 2HB CYS 34 -10.232 -19.702 -16.028 619 2HB CYS 34 1HB CYS 34 -9.701 -18.302 -16.956 620 H LEU 35 H LEU 35 -10.814 -18.288 -18.996 621 HA LEU 35 HA LEU 35 -12.796 -19.795 -20.438 622 1HB LEU 35 2HB LEU 35 -10.175 -18.516 -20.864 623 2HB LEU 35 1HB LEU 35 -10.496 -19.876 -21.938 624 HG LEU 35 HG LEU 35 -12.358 -17.522 -21.506 625 1HD1 LEU 35 2HD1 LEU 35 -10.015 -17.531 -22.943 626 2HD1 LEU 35 1HD1 LEU 35 -11.188 -18.018 -24.166 627 3HD1 LEU 35 3HD1 LEU 35 -11.401 -16.498 -23.296 628 1HD2 LEU 35 1HD2 LEU 35 -12.620 -20.155 -22.792 629 2HD2 LEU 35 3HD2 LEU 35 -13.874 -19.017 -22.299 630 3HD2 LEU 35 2HD2 LEU 35 -13.057 -18.811 -23.848 631 H SER 36 H SER 36 -9.646 -20.625 -19.059 632 HA SER 36 HA SER 36 -9.559 -23.335 -20.036 633 1HB SER 36 2HB SER 36 -7.834 -21.629 -18.843 634 2HB SER 36 1HB SER 36 -8.297 -22.589 -17.440 635 HG SER 36 HG SER 36 -7.109 -24.133 -18.202 636 H CYS 37 H CYS 37 -10.647 -21.882 -16.962 637 HA CYS 37 HA CYS 37 -11.409 -24.355 -15.700 638 1HB CYS 37 2HB CYS 37 -12.394 -21.503 -15.338 639 2HB CYS 37 1HB CYS 37 -12.589 -22.807 -14.168 640 H ARG 38 H ARG 38 -12.943 -22.252 -18.042 641 HA ARG 38 HA ARG 38 -15.642 -23.316 -17.652 642 1HB ARG 38 2HB ARG 38 -14.822 -21.017 -18.542 643 2HB ARG 38 1HB ARG 38 -14.567 -21.860 -20.070 644 1HG ARG 38 2HG ARG 38 -16.781 -20.898 -20.127 645 2HG ARG 38 1HG ARG 38 -16.959 -22.643 -19.940 646 1HD ARG 38 2HD ARG 38 -16.793 -21.792 -17.312 647 2HD ARG 38 1HD ARG 38 -17.722 -20.493 -18.087 648 HE ARG 38 HE ARG 38 -18.661 -23.039 -19.026 649 1HH1 ARG 38 2HH1 ARG 38 -18.233 -22.158 -15.839 650 2HH1 ARG 38 1HH1 ARG 38 -19.909 -22.206 -15.404 651 1HH2 ARG 38 1HH2 ARG 38 -21.016 -22.587 -18.669 652 2HH2 ARG 38 2HH2 ARG 38 -21.485 -22.449 -17.007 653 H LYS 39 H LYS 39 -12.904 -23.938 -19.816 654 HA LYS 39 HA LYS 39 -14.285 -25.632 -21.686 655 1HB LYS 39 2HB LYS 39 -12.113 -24.570 -22.103 656 2HB LYS 39 1HB LYS 39 -11.391 -25.484 -20.778 657 1HG LYS 39 2HG LYS 39 -12.793 -27.075 -22.860 658 2HG LYS 39 1HG LYS 39 -11.278 -26.311 -23.346 659 1HD LYS 39 2HD LYS 39 -10.256 -27.292 -21.224 660 2HD LYS 39 1HD LYS 39 -11.725 -28.256 -21.073 661 1HE LYS 39 2HE LYS 39 -10.244 -29.675 -22.273 662 2HE LYS 39 1HE LYS 39 -11.241 -28.951 -23.551 663 1HZ LYS 39 3HZ LYS 39 -8.649 -27.857 -22.587 664 2HZ LYS 39 2HZ LYS 39 -8.848 -28.751 -24.018 665 3HZ LYS 39 1HZ LYS 39 -9.593 -27.233 -23.851 666 H ARG 40 H ARG 40 -12.578 -26.274 -18.632 667 HA ARG 40 HA ARG 40 -13.380 -29.153 -18.817 668 1HB ARG 40 2HB ARG 40 -11.381 -27.733 -17.031 669 2HB ARG 40 1HB ARG 40 -11.575 -29.479 -17.189 670 1HG ARG 40 2HG ARG 40 -10.999 -29.285 -19.601 671 2HG ARG 40 1HG ARG 40 -10.723 -27.559 -19.368 672 1HD ARG 40 2HD ARG 40 -8.549 -28.352 -19.072 673 2HD ARG 40 1HD ARG 40 -9.136 -28.471 -17.401 674 HE ARG 40 HE ARG 40 -9.786 -30.830 -18.981 675 1HH1 ARG 40 2HH1 ARG 40 -9.344 -31.558 -16.348 676 2HH1 ARG 40 1HH1 ARG 40 -7.670 -31.982 -16.224 677 1HH2 ARG 40 1HH2 ARG 40 -6.770 -30.369 -19.158 678 2HH2 ARG 40 2HH2 ARG 40 -6.212 -31.309 -17.815 679 H HIS 41 H HIS 41 -14.679 -26.403 -17.652 680 HA HIS 41 HA HIS 41 -16.182 -25.903 -15.914 681 1HB HIS 41 2HB HIS 41 -16.334 -28.783 -16.544 682 2HB HIS 41 1HB HIS 41 -16.976 -28.352 -14.961 683 HD1 HIS 41 HD1 HIS 41 -17.132 -26.093 -17.985 684 HD2 HIS 41 HD2 HIS 41 -19.701 -28.412 -15.661 685 HE1 HIS 41 HE1 HIS 41 -19.484 -25.526 -18.735 686 H ILE 42 H ILE 42 -13.898 -25.327 -14.893 687 HA ILE 42 HA ILE 42 -13.289 -27.068 -12.554 688 HB ILE 42 HB ILE 42 -11.880 -24.661 -13.755 689 1HG1 ILE 42 2HG1 ILE 42 -11.259 -27.623 -13.984 690 2HG1 ILE 42 1HG1 ILE 42 -12.004 -26.652 -15.253 691 1HG2 ILE 42 1HG2 ILE 42 -11.583 -25.706 -11.227 692 2HG2 ILE 42 3HG2 ILE 42 -10.371 -26.606 -12.139 693 3HG2 ILE 42 2HG2 ILE 42 -10.324 -24.844 -12.111 694 1HD1 ILE 42 1HD1 ILE 42 -9.588 -25.397 -14.209 695 2HD1 ILE 42 3HD1 ILE 42 -9.266 -27.006 -14.856 696 3HD1 ILE 42 2HD1 ILE 42 -10.018 -25.779 -15.876 697 H LYS 43 H LYS 43 -13.435 -26.256 -10.438 698 HA LYS 43 HA LYS 43 -15.406 -24.212 -9.917 699 1HB LYS 43 2HB LYS 43 -14.525 -26.329 -8.590 700 2HB LYS 43 1HB LYS 43 -13.400 -25.160 -7.896 701 1HG LYS 43 2HG LYS 43 -15.136 -24.886 -6.411 702 2HG LYS 43 1HG LYS 43 -15.659 -23.737 -7.643 703 1HD LYS 43 2HD LYS 43 -17.561 -25.114 -7.153 704 2HD LYS 43 1HD LYS 43 -16.945 -25.653 -8.715 705 1HE LYS 43 2HE LYS 43 -15.530 -27.133 -6.743 706 2HE LYS 43 1HE LYS 43 -17.250 -27.195 -6.305 707 1HZ LYS 43 2HZ LYS 43 -16.337 -27.546 -9.097 708 2HZ LYS 43 1HZ LYS 43 -16.451 -28.864 -8.031 709 3HZ LYS 43 3HZ LYS 43 -17.836 -27.965 -8.418 710 H CYS 44 H CYS 44 -14.540 -22.290 -10.974 711 HA CYS 44 HA CYS 44 -11.938 -21.210 -10.425 712 1HB CYS 44 2HB CYS 44 -13.539 -20.707 -12.327 713 2HB CYS 44 1HB CYS 44 -14.475 -19.743 -11.186 714 HA PRO 45 HA PRO 45 -12.910 -19.929 -6.194 715 1HB PRO 45 2HB PRO 45 -10.570 -18.259 -6.190 716 2HB PRO 45 1HB PRO 45 -10.787 -19.825 -5.406 717 1HG PRO 45 2HG PRO 45 -9.196 -19.219 -7.714 718 2HG PRO 45 1HG PRO 45 -9.420 -20.786 -6.931 719 1HD PRO 45 2HD PRO 45 -10.465 -19.914 -9.473 720 2HD PRO 45 1HD PRO 45 -10.696 -21.492 -8.680 721 H GLY 46 H GLY 46 -11.228 -17.324 -7.988 722 1HA GLY 46 2HA GLY 46 -13.002 -15.591 -8.895 723 2HA GLY 46 1HA GLY 46 -13.403 -15.465 -7.182 724 H GLY 47 H GLY 47 -10.899 -14.856 -9.581 725 1HA GLY 47 2HA GLY 47 -9.941 -12.545 -8.148 726 2HA GLY 47 1HA GLY 47 -8.820 -13.895 -7.962 727 H ASN 48 H ASN 48 -7.632 -11.948 -9.225 728 HA ASN 48 HA ASN 48 -7.539 -12.845 -12.055 729 1HB ASN 48 2HB ASN 48 -8.602 -10.307 -11.014 730 2HB ASN 48 1HB ASN 48 -7.416 -10.108 -12.306 731 1HD2 ASN 48 2HD2 ASN 48 -9.454 -12.131 -14.614 732 2HD2 ASN 48 1HD2 ASN 48 -7.845 -12.085 -14.073 733 HA PRO 49 HA PRO 49 -6.124 -13.899 -12.944 734 1HB PRO 49 2HB PRO 49 -4.034 -15.591 -11.946 735 2HB PRO 49 1HB PRO 49 -4.173 -14.889 -13.555 736 1HG PRO 49 2HG PRO 49 -2.293 -14.202 -11.534 737 2HG PRO 49 1HG PRO 49 -2.518 -13.419 -13.099 738 1HD PRO 49 2HD PRO 49 -3.247 -12.432 -10.451 739 2HD PRO 49 1HD PRO 49 -3.296 -11.571 -12.008 740 H CYS 50 H CYS 50 -7.254 -15.846 -12.285 741 HA CYS 50 HA CYS 50 -8.225 -15.909 -9.583 742 1HB CYS 50 2HB CYS 50 -9.337 -17.968 -10.382 743 2HB CYS 50 1HB CYS 50 -9.437 -16.700 -11.600 744 H GLN 51 H GLN 51 -7.902 -19.029 -9.599 745 HA GLN 51 HA GLN 51 -5.049 -19.131 -8.707 746 1HB GLN 51 2HB GLN 51 -6.534 -18.650 -6.795 747 2HB GLN 51 1HB GLN 51 -7.499 -20.074 -7.185 748 1HG GLN 51 2HG GLN 51 -6.116 -21.213 -5.807 749 2HG GLN 51 1HG GLN 51 -4.909 -21.068 -7.086 750 1HE2 GLN 51 2HE2 GLN 51 -3.495 -18.049 -5.446 751 2HE2 GLN 51 1HE2 GLN 51 -4.122 -18.431 -6.978 752 H LYS 52 H LYS 52 -8.001 -20.975 -9.469 753 HA LYS 52 HA LYS 52 -6.922 -23.585 -9.525 754 1HB LYS 52 2HB LYS 52 -9.182 -22.095 -10.752 755 2HB LYS 52 1HB LYS 52 -8.786 -23.652 -11.485 756 1HG LYS 52 2HG LYS 52 -9.253 -23.229 -8.519 757 2HG LYS 52 1HG LYS 52 -10.467 -23.844 -9.642 758 1HD LYS 52 2HD LYS 52 -9.637 -25.907 -9.285 759 2HD LYS 52 1HD LYS 52 -8.173 -25.393 -10.123 760 1HE LYS 52 2HE LYS 52 -7.341 -26.106 -8.031 761 2HE LYS 52 1HE LYS 52 -7.532 -24.358 -7.783 762 1HZ LYS 52 3HZ LYS 52 -9.895 -24.925 -7.103 763 2HZ LYS 52 2HZ LYS 52 -9.369 -26.536 -6.976 764 3HZ LYS 52 1HZ LYS 52 -8.672 -25.332 -6.001 765 H CYS 53 H CYS 53 -6.572 -20.980 -11.842 766 HA CYS 53 HA CYS 53 -5.369 -22.786 -13.869 767 1HB CYS 53 2HB CYS 53 -6.413 -20.019 -13.630 768 2HB CYS 53 1HB CYS 53 -5.216 -20.318 -14.882 769 H VAL 54 H VAL 54 -4.550 -20.052 -11.752 770 HA VAL 54 HA VAL 54 -1.845 -19.739 -12.654 771 HB VAL 54 HB VAL 54 -2.776 -19.228 -9.819 772 1HG1 VAL 54 2HG1 VAL 54 -0.454 -18.641 -11.260 773 2HG1 VAL 54 1HG1 VAL 54 -1.346 -17.117 -11.231 774 3HG1 VAL 54 3HG1 VAL 54 -0.935 -17.930 -9.719 775 1HG2 VAL 54 2HG2 VAL 54 -3.559 -17.722 -12.322 776 2HG2 VAL 54 1HG2 VAL 54 -4.611 -18.311 -11.035 777 3HG2 VAL 54 3HG2 VAL 54 -3.531 -16.952 -10.737 778 H THR 55 H THR 55 -3.443 -21.810 -10.348 779 HA THR 55 HA THR 55 -1.047 -22.879 -9.120 780 HB THR 55 HB THR 55 -3.336 -22.762 -8.129 781 HG1 THR 55 HG1 THR 55 -2.046 -25.250 -8.416 782 1HG2 THR 55 2HG2 THR 55 -4.381 -23.459 -10.378 783 2HG2 THR 55 1HG2 THR 55 -4.051 -25.111 -9.864 784 3HG2 THR 55 3HG2 THR 55 -5.118 -24.083 -8.906 785 H SER 56 H SER 56 -3.187 -23.862 -11.780 786 HA SER 56 HA SER 56 -1.715 -26.386 -12.182 787 1HB SER 56 2HB SER 56 -4.166 -25.025 -13.158 788 2HB SER 56 1HB SER 56 -3.377 -26.084 -14.324 789 HG SER 56 HG SER 56 -4.859 -26.716 -12.174 790 H ASN 57 H ASN 57 -2.663 -24.173 -14.766 791 HA ASN 57 HA ASN 57 -0.208 -22.977 -15.381 792 1HB ASN 57 2HB ASN 57 0.487 -24.575 -17.264 793 2HB ASN 57 1HB ASN 57 0.785 -25.131 -15.625 794 1HD2 ASN 57 2HD2 ASN 57 -1.229 -27.985 -16.035 795 2HD2 ASN 57 1HD2 ASN 57 0.001 -27.200 -15.169 796 H ALA 58 H ALA 58 -2.985 -22.455 -15.614 797 HA ALA 58 HA ALA 58 -3.295 -22.193 -18.590 798 1HB ALA 58 3HB ALA 58 -5.019 -23.156 -16.428 799 2HB ALA 58 2HB ALA 58 -5.809 -21.940 -17.431 800 3HB ALA 58 1HB ALA 58 -5.164 -23.407 -18.168 801 H ILE 59 H ILE 59 -4.319 -20.196 -19.313 802 HA ILE 59 HA ILE 59 -3.509 -17.855 -17.795 803 HB ILE 59 HB ILE 59 -5.194 -18.180 -20.299 804 1HG1 ILE 59 2HG1 ILE 59 -2.297 -17.419 -20.315 805 2HG1 ILE 59 1HG1 ILE 59 -2.711 -19.121 -20.096 806 1HG2 ILE 59 2HG2 ILE 59 -3.884 -15.846 -18.932 807 2HG2 ILE 59 1HG2 ILE 59 -4.070 -15.841 -20.686 808 3HG2 ILE 59 3HG2 ILE 59 -5.492 -15.955 -19.649 809 1HD1 ILE 59 2HD1 ILE 59 -4.249 -18.830 -22.139 810 2HD1 ILE 59 1HD1 ILE 59 -3.385 -17.320 -22.424 811 3HD1 ILE 59 3HD1 ILE 59 -2.511 -18.852 -22.445 812 H CYS 60 H CYS 60 -4.890 -16.400 -16.776 813 HA CYS 60 HA CYS 60 -7.663 -17.389 -16.250 814 1HB CYS 60 2HB CYS 60 -6.062 -15.460 -14.554 815 2HB CYS 60 1HB CYS 60 -7.413 -16.473 -14.073 816 H GLU 61 H GLU 61 -8.988 -16.231 -17.641 817 HA GLU 61 HA GLU 61 -8.779 -13.246 -17.531 818 1HB GLU 61 2HB GLU 61 -8.715 -15.141 -19.849 819 2HB GLU 61 1HB GLU 61 -9.508 -13.582 -20.074 820 1HG GLU 61 2HG GLU 61 -7.409 -12.509 -19.117 821 2HG GLU 61 1HG GLU 61 -6.641 -14.091 -19.249 822 H TYR 62 H TYR 62 -10.862 -12.217 -18.292 823 HA TYR 62 HA TYR 62 -13.242 -14.004 -18.015 824 1HB TYR 62 2HB TYR 62 -12.558 -11.492 -16.465 825 2HB TYR 62 1HB TYR 62 -14.174 -12.196 -16.487 826 HD1 TYR 62 HD1 TYR 62 -13.648 -15.089 -16.462 827 HD2 TYR 62 HD2 TYR 62 -11.677 -11.904 -14.313 828 HE1 TYR 62 HE1 TYR 62 -12.968 -16.704 -14.691 829 HE2 TYR 62 HE2 TYR 62 -11.001 -13.521 -12.541 830 HH TYR 62 HH TYR 62 -11.380 -15.618 -11.716 831 H LEU 63 H LEU 63 -12.079 -12.713 -20.380 832 HA LEU 63 HA LEU 63 -13.420 -10.268 -21.051 833 1HB LEU 63 2HB LEU 63 -11.853 -12.412 -22.333 834 2HB LEU 63 1HB LEU 63 -12.978 -11.601 -23.422 835 HG LEU 63 HG LEU 63 -12.057 -9.411 -22.740 836 1HD1 LEU 63 1HD1 LEU 63 -10.444 -11.179 -20.918 837 2HD1 LEU 63 3HD1 LEU 63 -9.773 -9.645 -21.471 838 3HD1 LEU 63 2HD1 LEU 63 -11.277 -9.668 -20.549 839 1HD2 LEU 63 2HD2 LEU 63 -10.782 -11.409 -24.295 840 2HD2 LEU 63 1HD2 LEU 63 -10.578 -9.662 -24.422 841 3HD2 LEU 63 3HD2 LEU 63 -9.507 -10.602 -23.382 842 H GLU 64 H GLU 64 -15.530 -9.934 -21.662 843 HA GLU 64 HA GLU 64 -17.125 -11.758 -23.171 844 1HB GLU 64 2HB GLU 64 -16.857 -12.314 -20.350 845 2HB GLU 64 1HB GLU 64 -18.540 -11.933 -20.724 846 1HG GLU 64 2HG GLU 64 -17.813 -13.552 -22.839 847 2HG GLU 64 1HG GLU 64 -16.942 -14.276 -21.486 848 HA PRO 65 HA PRO 65 -20.092 -8.397 -21.287 849 1HB PRO 65 2HB PRO 65 -18.462 -6.559 -19.792 850 2HB PRO 65 1HB PRO 65 -19.806 -7.544 -19.208 851 1HG PRO 65 2HG PRO 65 -16.990 -7.899 -18.711 852 2HG PRO 65 1HG PRO 65 -18.344 -8.836 -18.069 853 1HD PRO 65 2HD PRO 65 -16.424 -9.703 -20.008 854 2HD PRO 65 1HD PRO 65 -17.877 -10.573 -19.466 855 H SER 66 H SER 66 -20.449 -6.428 -22.451 856 HA SER 66 HA SER 66 -18.222 -5.650 -24.268 857 1HB SER 66 2HB SER 66 -20.755 -6.331 -24.782 858 2HB SER 66 1HB SER 66 -21.023 -4.617 -24.477 859 HG SER 66 HG SER 66 -19.253 -5.803 -26.356 860 H LYS 67 H LYS 67 -18.146 -4.715 -21.508 861 HA LYS 67 HA LYS 67 -18.324 -1.776 -22.026 862 1HB LYS 67 2HB LYS 67 -20.145 -3.217 -20.524 863 2HB LYS 67 1HB LYS 67 -19.022 -2.626 -19.299 864 1HG LYS 67 2HG LYS 67 -19.334 -0.341 -20.013 865 2HG LYS 67 1HG LYS 67 -20.276 -0.856 -21.414 866 1HD LYS 67 2HD LYS 67 -21.537 -2.037 -19.192 867 2HD LYS 67 1HD LYS 67 -21.166 -0.385 -18.698 868 1HE LYS 67 2HE LYS 67 -23.060 0.186 -19.832 869 2HE LYS 67 1HE LYS 67 -22.099 -0.070 -21.302 870 1HZ LYS 67 3HZ LYS 67 -23.457 -2.274 -19.853 871 2HZ LYS 67 2HZ LYS 67 -24.183 -1.440 -21.143 872 3HZ LYS 67 1HZ LYS 67 -22.755 -2.324 -21.397 873 H LYS 68 H LYS 68 -16.221 -4.124 -21.527 874 HA LYS 68 HA LYS 68 -14.722 -2.800 -19.312 875 1HB LYS 68 2HB LYS 68 -14.805 -5.525 -20.561 876 2HB LYS 68 1HB LYS 68 -13.358 -5.021 -19.686 877 1HG LYS 68 2HG LYS 68 -14.936 -6.203 -18.194 878 2HG LYS 68 1HG LYS 68 -14.716 -4.525 -17.697 879 1HD LYS 68 2HD LYS 68 -16.818 -3.870 -18.560 880 2HD LYS 68 1HD LYS 68 -16.963 -5.326 -19.544 881 1HE LYS 68 2HE LYS 68 -18.405 -5.731 -17.691 882 2HE LYS 68 1HE LYS 68 -16.917 -6.601 -17.266 883 1HZ LYS 68 3HZ LYS 68 -16.168 -4.449 -16.222 884 2HZ LYS 68 2HZ LYS 68 -17.772 -3.906 -16.372 885 3HZ LYS 68 1HZ LYS 68 -17.417 -5.261 -15.410 886 H ILE 69 H ILE 69 -12.740 -1.813 -19.744 887 HA ILE 69 HA ILE 69 -12.039 -1.373 -22.564 888 HB ILE 69 HB ILE 69 -12.034 0.342 -20.693 889 1HG1 ILE 69 2HG1 ILE 69 -9.808 1.332 -21.425 890 2HG1 ILE 69 1HG1 ILE 69 -9.556 -0.151 -22.347 891 1HG2 ILE 69 3HG2 ILE 69 -9.597 -1.243 -19.863 892 2HG2 ILE 69 2HG2 ILE 69 -9.926 0.398 -19.316 893 3HG2 ILE 69 1HG2 ILE 69 -11.033 -0.906 -18.900 894 1HD1 ILE 69 3HD1 ILE 69 -12.167 0.658 -22.981 895 2HD1 ILE 69 2HD1 ILE 69 -11.214 2.142 -22.993 896 3HD1 ILE 69 1HD1 ILE 69 -10.745 0.785 -24.016 897 H VAL 70 H VAL 70 -10.141 -2.120 -23.573 898 HA VAL 70 HA VAL 70 -8.217 -3.742 -22.015 899 HB VAL 70 HB VAL 70 -9.494 -4.928 -24.484 900 1HG1 VAL 70 3HG1 VAL 70 -7.293 -5.672 -23.235 901 2HG1 VAL 70 2HG1 VAL 70 -8.429 -6.407 -22.103 902 3HG1 VAL 70 1HG1 VAL 70 -8.440 -6.888 -23.802 903 1HG2 VAL 70 2HG2 VAL 70 -10.442 -5.206 -21.610 904 2HG2 VAL 70 1HG2 VAL 70 -11.371 -4.569 -22.966 905 3HG2 VAL 70 3HG2 VAL 70 -10.934 -6.277 -22.923 906 H VAL 71 H VAL 71 -6.580 -2.269 -22.630 907 HA VAL 71 HA VAL 71 -5.700 -2.470 -25.441 908 HB VAL 71 HB VAL 71 -6.479 0.121 -24.070 909 1HG1 VAL 71 3HG1 VAL 71 -4.651 -0.458 -26.309 910 2HG1 VAL 71 2HG1 VAL 71 -5.890 0.739 -26.681 911 3HG1 VAL 71 1HG1 VAL 71 -4.798 0.997 -25.322 912 1HG2 VAL 71 2HG2 VAL 71 -7.561 -1.460 -26.408 913 2HG2 VAL 71 1HG2 VAL 71 -8.425 -0.911 -24.971 914 3HG2 VAL 71 3HG2 VAL 71 -7.922 0.254 -26.197 915 H SER 72 H SER 72 -4.704 0.171 -23.316 916 HA SER 72 HA SER 72 -2.252 -1.307 -22.514 917 1HB SER 72 2HB SER 72 -1.567 -0.466 -24.596 918 2HB SER 72 1HB SER 72 -2.500 1.019 -24.403 919 HG SER 72 HG SER 72 0.012 0.740 -23.919 920 H THR 73 H THR 73 -2.109 -0.878 -20.335 921 HA THR 73 HA THR 73 -3.429 1.192 -18.925 922 HB THR 73 HB THR 73 -2.444 -0.840 -17.934 923 HG1 THR 73 HG1 THR 73 -1.135 1.463 -16.934 924 1HG2 THR 73 2HG2 THR 73 -0.376 -0.630 -19.488 925 2HG2 THR 73 1HG2 THR 73 0.272 0.422 -18.231 926 3HG2 THR 73 3HG2 THR 73 -0.131 -1.254 -17.857 927 H LYS 74 H LYS 74 -0.125 1.149 -20.301 928 HA LYS 74 HA LYS 74 0.806 3.619 -19.290 929 1HB LYS 74 2HB LYS 74 1.763 1.675 -20.887 930 2HB LYS 74 1HB LYS 74 1.374 2.874 -22.119 931 1HG LYS 74 2HG LYS 74 2.950 3.595 -19.648 932 2HG LYS 74 1HG LYS 74 3.735 2.988 -21.106 933 1HD LYS 74 2HD LYS 74 2.115 4.892 -22.179 934 2HD LYS 74 1HD LYS 74 2.455 5.611 -20.605 935 1HE LYS 74 2HE LYS 74 4.608 6.072 -21.176 936 2HE LYS 74 1HE LYS 74 4.844 4.460 -21.880 937 1HZ LYS 74 2HZ LYS 74 3.224 6.596 -23.158 938 2HZ LYS 74 1HZ LYS 74 4.854 6.304 -23.540 939 3HZ LYS 74 3HZ LYS 74 3.688 5.109 -23.838 940 H TYR 75 H TYR 75 -1.272 2.921 -22.076 941 HA TYR 75 HA TYR 75 -1.377 5.612 -23.108 942 1HB TYR 75 2HB TYR 75 -1.985 3.899 -24.589 943 2HB TYR 75 1HB TYR 75 -2.901 3.030 -23.366 944 HD1 TYR 75 HD1 TYR 75 -3.093 6.638 -24.407 945 HD2 TYR 75 HD2 TYR 75 -5.085 2.812 -24.216 946 HE1 TYR 75 HE1 TYR 75 -5.195 7.690 -25.235 947 HE2 TYR 75 HE2 TYR 75 -7.181 3.859 -25.046 948 HH TYR 75 HH TYR 75 -7.546 7.315 -25.291 949 H LEU 76 H LEU 76 -3.608 3.735 -21.018 950 HA LEU 76 HA LEU 76 -5.465 5.885 -20.590 951 1HB LEU 76 2HB LEU 76 -4.742 3.315 -19.168 952 2HB LEU 76 1HB LEU 76 -5.986 4.380 -18.528 953 HG LEU 76 HG LEU 76 -7.130 2.766 -19.849 954 1HD1 LEU 76 2HD1 LEU 76 -7.419 5.395 -20.362 955 2HD1 LEU 76 1HD1 LEU 76 -6.960 4.839 -21.972 956 3HD1 LEU 76 3HD1 LEU 76 -8.377 4.158 -21.175 957 1HD2 LEU 76 1HD2 LEU 76 -5.145 1.932 -21.061 958 2HD2 LEU 76 3HD2 LEU 76 -6.506 2.209 -22.145 959 3HD2 LEU 76 2HD2 LEU 76 -5.180 3.366 -22.083 960 H GLN 77 H GLN 77 -2.475 4.911 -18.988 961 HA GLN 77 HA GLN 77 -2.707 6.496 -16.619 962 1HB GLN 77 2HB GLN 77 -0.851 4.797 -17.915 963 2HB GLN 77 1HB GLN 77 -0.004 6.317 -17.637 964 1HG GLN 77 2HG GLN 77 0.347 5.494 -15.548 965 2HG GLN 77 1HG GLN 77 -1.321 5.989 -15.256 966 1HE2 GLN 77 2HE2 GLN 77 -2.604 2.648 -15.354 967 2HE2 GLN 77 1HE2 GLN 77 -3.022 4.282 -15.541 968 H GLN 78 H GLN 78 -1.079 7.222 -19.736 969 HA GLN 78 HA GLN 78 -0.260 9.869 -19.145 970 1HB GLN 78 2HB GLN 78 -0.649 8.108 -21.439 971 2HB GLN 78 1HB GLN 78 -0.989 9.788 -21.851 972 1HG GLN 78 2HG GLN 78 1.518 8.889 -20.408 973 2HG GLN 78 1HG GLN 78 1.425 9.134 -22.153 974 1HE2 GLN 78 2HE2 GLN 78 1.307 12.698 -21.915 975 2HE2 GLN 78 1HE2 GLN 78 0.954 11.373 -22.916 976 H LEU 79 H LEU 79 -3.402 8.570 -20.038 977 HA LEU 79 HA LEU 79 -4.692 11.049 -20.741 978 1HB LEU 79 2HB LEU 79 -5.256 8.375 -20.806 979 2HB LEU 79 1HB LEU 79 -6.251 8.894 -19.444 980 HG LEU 79 HG LEU 79 -7.191 10.710 -20.889 981 1HD1 LEU 79 2HD1 LEU 79 -5.017 10.225 -22.482 982 2HD1 LEU 79 1HD1 LEU 79 -6.283 9.365 -23.357 983 3HD1 LEU 79 3HD1 LEU 79 -6.462 11.086 -23.013 984 1HD2 LEU 79 2HD2 LEU 79 -7.818 8.000 -20.831 985 2HD2 LEU 79 1HD2 LEU 79 -8.841 9.281 -21.483 986 3HD2 LEU 79 3HD2 LEU 79 -7.773 8.375 -22.554 987 H GLN 80 H GLN 80 -4.627 9.152 -17.722 988 HA GLN 80 HA GLN 80 -6.220 10.859 -16.124 989 1HB GLN 80 2HB GLN 80 -4.467 8.587 -15.902 990 2HB GLN 80 1HB GLN 80 -4.159 9.689 -14.564 991 1HG GLN 80 2HG GLN 80 -6.148 9.224 -13.592 992 2HG GLN 80 1HG GLN 80 -7.012 9.373 -15.121 993 1HE2 GLN 80 2HE2 GLN 80 -6.074 5.838 -15.932 994 2HE2 GLN 80 1HE2 GLN 80 -5.757 7.346 -16.644 995 H LYS 81 H LYS 81 -2.641 10.786 -16.459 996 HA LYS 81 HA LYS 81 -2.046 12.978 -14.763 997 1HB LYS 81 2HB LYS 81 -0.789 11.338 -16.783 998 2HB LYS 81 1HB LYS 81 -0.298 13.018 -17.005 999 1HG LYS 81 2HG LYS 81 0.065 12.998 -14.419 1000 2HG LYS 81 1HG LYS 81 0.087 11.243 -14.606 1001 1HD LYS 81 2HD LYS 81 2.359 11.895 -14.816 1002 2HD LYS 81 1HD LYS 81 1.814 11.635 -16.473 1003 1HE LYS 81 2HE LYS 81 1.514 14.017 -16.822 1004 2HE LYS 81 1HE LYS 81 1.843 14.350 -15.109 1005 1HZ LYS 81 3HZ LYS 81 4.018 13.255 -15.403 1006 2HZ LYS 81 2HZ LYS 81 3.709 13.117 -17.068 1007 3HZ LYS 81 1HZ LYS 81 3.862 14.652 -16.354 1008 H ASP 82 H ASP 82 -3.081 12.912 -18.163 1009 HA ASP 82 HA ASP 82 -2.686 15.645 -18.818 1010 1HB ASP 82 2HB ASP 82 -3.762 13.389 -19.975 1011 2HB ASP 82 1HB ASP 82 -5.196 14.390 -19.739 1012 H LEU 83 H LEU 83 -5.220 14.007 -16.977 1013 HA LEU 83 HA LEU 83 -7.029 16.220 -16.709 1014 1HB LEU 83 2HB LEU 83 -6.789 13.534 -15.897 1015 2HB LEU 83 1HB LEU 83 -6.880 14.460 -14.397 1016 HG LEU 83 HG LEU 83 -8.776 15.111 -16.627 1017 1HD1 LEU 83 2HD1 LEU 83 -8.674 12.604 -15.049 1018 2HD1 LEU 83 1HD1 LEU 83 -10.244 13.408 -15.074 1019 3HD1 LEU 83 3HD1 LEU 83 -9.472 12.932 -16.588 1020 1HD2 LEU 83 3HD2 LEU 83 -8.496 15.539 -13.703 1021 2HD2 LEU 83 2HD2 LEU 83 -9.205 16.588 -14.930 1022 3HD2 LEU 83 1HD2 LEU 83 -10.137 15.241 -14.276 1023 H ASN 84 H ASN 84 -4.431 14.985 -14.571 1024 HA ASN 84 HA ASN 84 -4.573 17.065 -12.616 1025 1HB ASN 84 2HB ASN 84 -3.128 14.774 -13.099 1026 2HB ASN 84 1HB ASN 84 -1.903 16.022 -13.308 1027 1HD2 ASN 84 1HD2 ASN 84 -0.781 15.795 -11.312 1028 2HD2 ASN 84 2HD2 ASN 84 -1.514 16.023 -9.798 1029 H ASP 85 H ASP 85 -3.223 16.885 -15.845 1030 HA ASP 85 HA ASP 85 -1.551 19.252 -15.682 1031 1HB ASP 85 2HB ASP 85 -1.987 17.176 -17.442 1032 2HB ASP 85 1HB ASP 85 -2.778 18.516 -18.272 1033 H LYS 86 H LYS 86 -4.956 18.691 -15.919 1034 HA LYS 86 HA LYS 86 -5.642 21.269 -17.142 1035 1HB LYS 86 2HB LYS 86 -7.104 19.288 -17.288 1036 2HB LYS 86 1HB LYS 86 -7.224 19.228 -15.539 1037 1HG LYS 86 2HG LYS 86 -8.388 21.323 -15.459 1038 2HG LYS 86 1HG LYS 86 -8.077 21.625 -17.168 1039 1HD LYS 86 2HD LYS 86 -10.327 20.837 -17.062 1040 2HD LYS 86 1HD LYS 86 -9.375 19.466 -17.633 1041 1HE LYS 86 2HE LYS 86 -10.658 18.475 -15.930 1042 2HE LYS 86 1HE LYS 86 -9.187 18.922 -15.041 1043 1HZ LYS 86 1HZ LYS 86 -11.436 20.814 -15.369 1044 2HZ LYS 86 3HZ LYS 86 -11.400 19.709 -14.083 1045 3HZ LYS 86 2HZ LYS 86 -10.167 20.866 -14.241 1046 H THR 87 H THR 87 -5.254 19.849 -13.980 1047 HA THR 87 HA THR 87 -6.295 22.097 -12.498 1048 HB THR 87 HB THR 87 -4.804 19.522 -12.023 1049 HG1 THR 87 HG1 THR 87 -6.615 19.231 -10.652 1050 1HG2 THR 87 3HG2 THR 87 -5.036 21.781 -10.026 1051 2HG2 THR 87 2HG2 THR 87 -4.827 20.099 -9.537 1052 3HG2 THR 87 1HG2 THR 87 -3.588 20.897 -10.505 1053 H GLU 88 H GLU 88 -3.049 20.896 -13.388 1054 HA GLU 88 HA GLU 88 -1.539 23.006 -12.156 1055 1HB GLU 88 2HB GLU 88 -1.124 21.039 -14.414 1056 2HB GLU 88 1HB GLU 88 0.123 22.220 -14.009 1057 1HG GLU 88 2HG GLU 88 -0.396 21.298 -11.536 1058 2HG GLU 88 1HG GLU 88 -0.823 19.860 -12.462 1059 H GLU 89 H GLU 89 -3.157 22.642 -15.273 1060 HA GLU 89 HA GLU 89 -2.095 25.085 -16.453 1061 1HB GLU 89 2HB GLU 89 -4.148 23.003 -17.002 1062 2HB GLU 89 1HB GLU 89 -4.420 24.571 -17.759 1063 1HG GLU 89 2HG GLU 89 -1.647 23.540 -17.931 1064 2HG GLU 89 1HG GLU 89 -2.851 22.639 -18.852 1065 H ASN 90 H ASN 90 -5.237 24.173 -15.015 1066 HA ASN 90 HA ASN 90 -6.519 26.689 -15.042 1067 1HB ASN 90 2HB ASN 90 -6.621 24.133 -13.554 1068 2HB ASN 90 1HB ASN 90 -7.312 25.498 -12.686 1069 1HD2 ASN 90 2HD2 ASN 90 -9.349 23.875 -15.761 1070 2HD2 ASN 90 1HD2 ASN 90 -7.921 23.188 -15.151 1071 H ASN 91 H ASN 91 -3.947 25.429 -13.039 1072 HA ASN 91 HA ASN 91 -4.079 27.501 -10.988 1073 1HB ASN 91 2HB ASN 91 -2.420 25.158 -11.779 1074 2HB ASN 91 1HB ASN 91 -1.613 26.377 -10.795 1075 1HD2 ASN 91 2HD2 ASN 91 -4.716 24.224 -9.178 1076 2HD2 ASN 91 1HD2 ASN 91 -4.538 24.295 -10.866 1077 H ARG 92 H ARG 92 -2.144 26.885 -13.916 1078 HA ARG 92 HA ARG 92 -0.540 29.323 -13.558 1079 1HB ARG 92 2HB ARG 92 0.051 27.031 -14.648 1080 2HB ARG 92 1HB ARG 92 -0.804 27.661 -16.056 1081 1HG ARG 92 2HG ARG 92 0.731 29.400 -16.378 1082 2HG ARG 92 1HG ARG 92 1.311 29.323 -14.714 1083 1HD ARG 92 2HD ARG 92 2.949 27.885 -15.324 1084 2HD ARG 92 1HD ARG 92 1.747 26.772 -16.009 1085 HE ARG 92 HE ARG 92 1.767 28.418 -18.023 1086 1HH1 ARG 92 1HH2 ARG 92 4.143 29.619 -16.193 1087 2HH1 ARG 92 2HH2 ARG 92 5.469 29.234 -17.239 1088 1HH2 ARG 92 2HH1 ARG 92 3.599 27.138 -19.273 1089 2HH2 ARG 92 1HH1 ARG 92 5.160 27.829 -18.983 1090 H LEU 93 H LEU 93 -2.814 28.193 -16.098 1091 HA LEU 93 HA LEU 93 -3.116 30.563 -17.549 1092 1HB LEU 93 2HB LEU 93 -4.090 28.236 -17.930 1093 2HB LEU 93 1HB LEU 93 -5.357 28.671 -16.783 1094 HG LEU 93 HG LEU 93 -5.410 30.848 -18.409 1095 1HD1 LEU 93 1HD1 LEU 93 -4.481 28.479 -20.041 1096 2HD1 LEU 93 3HD1 LEU 93 -5.389 29.810 -20.760 1097 3HD1 LEU 93 2HD1 LEU 93 -3.818 30.114 -20.018 1098 1HD2 LEU 93 2HD2 LEU 93 -6.922 28.344 -18.127 1099 2HD2 LEU 93 1HD2 LEU 93 -7.510 30.003 -18.226 1100 3HD2 LEU 93 3HD2 LEU 93 -7.133 29.113 -19.700 1101 H LYS 94 H LYS 94 -4.457 29.714 -14.404 1102 HA LYS 94 HA LYS 94 -6.308 31.969 -14.283 1103 1HB LYS 94 2HB LYS 94 -6.700 29.901 -13.052 1104 2HB LYS 94 1HB LYS 94 -5.147 30.054 -12.230 1105 1HG LYS 94 2HG LYS 94 -6.564 32.494 -11.830 1106 2HG LYS 94 1HG LYS 94 -7.676 31.172 -11.471 1107 1HD LYS 94 2HD LYS 94 -5.706 30.157 -10.125 1108 2HD LYS 94 1HD LYS 94 -5.005 31.774 -10.208 1109 1HE LYS 94 2HE LYS 94 -6.600 32.684 -8.808 1110 2HE LYS 94 1HE LYS 94 -7.866 31.568 -9.358 1111 1HZ LYS 94 2HZ LYS 94 -6.424 29.767 -8.323 1112 2HZ LYS 94 1HZ LYS 94 -5.617 31.025 -7.513 1113 3HZ LYS 94 3HZ LYS 94 -7.275 30.776 -7.252 1114 H ALA 95 H ALA 95 -2.981 31.300 -13.240 1115 HA ALA 95 HA ALA 95 -2.818 33.972 -11.937 1116 1HB ALA 95 2HB ALA 95 -1.610 31.365 -11.666 1117 2HB ALA 95 1HB ALA 95 -0.350 32.580 -11.880 1118 3HB ALA 95 3HB ALA 95 -1.515 32.740 -10.566 1119 H LEU 96 H LEU 96 -2.342 32.689 -15.021 1120 HA LEU 96 HA LEU 96 -0.050 34.482 -15.653 1121 1HB LEU 96 2HB LEU 96 -0.383 31.960 -16.298 1122 2HB LEU 96 1HB LEU 96 -1.448 32.605 -17.549 1123 HG LEU 96 HG LEU 96 1.186 33.944 -17.273 1124 1HD1 LEU 96 1HD1 LEU 96 1.662 31.471 -16.998 1125 2HD1 LEU 96 3HD1 LEU 96 0.959 31.229 -18.597 1126 3HD1 LEU 96 2HD1 LEU 96 2.412 32.210 -18.413 1127 1HD2 LEU 96 2HD2 LEU 96 -0.926 33.872 -19.097 1128 2HD2 LEU 96 1HD2 LEU 96 0.657 34.598 -19.374 1129 3HD2 LEU 96 3HD2 LEU 96 0.347 32.938 -19.884 1130 H LEU 97 H LEU 97 -3.500 34.283 -15.939 1131 HA LEU 97 HA LEU 97 -3.471 36.526 -17.928 1132 1HB LEU 97 2HB LEU 97 -5.493 34.338 -17.352 1133 2HB LEU 97 1HB LEU 97 -5.734 35.634 -18.523 1134 HG LEU 97 HG LEU 97 -3.351 33.776 -18.622 1135 1HD1 LEU 97 2HD1 LEU 97 -5.776 32.751 -18.865 1136 2HD1 LEU 97 1HD1 LEU 97 -5.707 33.506 -20.456 1137 3HD1 LEU 97 3HD1 LEU 97 -4.505 32.300 -20.000 1138 1HD2 LEU 97 1HD2 LEU 97 -3.874 36.175 -19.889 1139 2HD2 LEU 97 3HD2 LEU 97 -2.769 34.937 -20.486 1140 3HD2 LEU 97 2HD2 LEU 97 -4.432 34.993 -21.072 1141 H LEU 98 H LEU 98 -4.430 35.511 -14.744 1142 HA LEU 98 HA LEU 98 -6.567 37.419 -14.349 1143 1HB LEU 98 2HB LEU 98 -6.299 35.368 -13.042 1144 2HB LEU 98 1HB LEU 98 -4.719 35.907 -12.476 1145 HG LEU 98 HG LEU 98 -6.435 38.026 -11.894 1146 1HD1 LEU 98 1HD1 LEU 98 -7.829 35.417 -11.784 1147 2HD1 LEU 98 3HD1 LEU 98 -7.975 36.408 -10.332 1148 3HD1 LEU 98 2HD1 LEU 98 -8.498 37.046 -11.890 1149 1HD2 LEU 98 2HD2 LEU 98 -4.496 37.053 -10.583 1150 2HD2 LEU 98 1HD2 LEU 98 -5.893 37.502 -9.604 1151 3HD2 LEU 98 3HD2 LEU 98 -5.604 35.809 -10.005 1152 H GLU 99 H GLU 99 -3.082 37.510 -14.108 1153 HA GLU 99 HA GLU 99 -2.877 39.892 -12.472 1154 1HB GLU 99 2HB GLU 99 -1.211 37.924 -13.325 1155 2HB GLU 99 1HB GLU 99 -0.762 39.211 -14.445 1156 1HG GLU 99 2HG GLU 99 0.212 40.456 -12.813 1157 2HG GLU 99 1HG GLU 99 -1.060 40.093 -11.647 1158 H ARG 100 HN ARG 100 -3.365 39.303 -15.896 1159 HA ARG 100 HA ARG 100 -4.017 42.090 -16.393 1160 1HB ARG 100 2HB ARG 100 -2.075 42.531 -17.873 1161 2HB ARG 100 1HB ARG 100 -1.556 42.198 -16.219 1162 1HG ARG 100 2HG ARG 100 -0.193 40.634 -17.121 1163 2HG ARG 100 1HG ARG 100 -1.654 39.676 -17.369 1164 1HD ARG 100 2HD ARG 100 -1.934 40.636 -19.617 1165 2HD ARG 100 1HD ARG 100 -0.499 41.651 -19.373 1166 HE ARG 100 HE ARG 100 0.247 38.979 -18.787 1167 1HH1 ARG 100 1HH2 ARG 100 1.657 40.753 -20.767 1168 2HH1 ARG 100 2HH2 ARG 100 1.405 39.900 -22.252 1169 1HH2 ARG 100 1HH1 ARG 100 -1.155 37.928 -20.994 1170 2HH2 ARG 100 2HH1 ARG 100 -0.188 38.300 -22.381 No H/Q in entry = 1170 Start of MODEL 11 1 1H MET 30 2H MET 30 -5.334 -18.595 -3.104 2 2H MET 30 1H MET 30 -5.029 -19.997 -2.194 3 3H MET 30 3H MET 30 -4.231 -18.551 -1.812 4 HA MET 30 HA MET 30 -2.687 -19.951 -2.979 5 1HB MET 30 2HB MET 30 -5.118 -20.199 -4.744 6 2HB MET 30 1HB MET 30 -3.515 -20.567 -5.379 7 1HG MET 30 2HG MET 30 -3.245 -22.415 -4.017 8 2HG MET 30 1HG MET 30 -4.289 -21.766 -2.752 9 1HE MET 30 3HE MET 30 -5.617 -23.162 -2.111 10 2HE MET 30 2HE MET 30 -7.045 -23.836 -2.894 11 3HE MET 30 1HE MET 30 -5.510 -24.698 -2.983 12 H SER 31 H SER 31 -1.732 -19.324 -5.351 13 HA SER 31 HA SER 31 -1.822 -16.338 -5.448 14 1HB SER 31 2HB SER 31 0.195 -18.404 -5.565 15 2HB SER 31 1HB SER 31 0.276 -17.413 -7.019 16 HG SER 31 HG SER 31 0.230 -16.467 -4.338 17 H VAL 32 H VAL 32 -2.402 -19.237 -7.340 18 HA VAL 32 HA VAL 32 -2.577 -17.802 -9.899 19 HB VAL 32 HB VAL 32 -3.301 -20.615 -9.015 20 1HG1 VAL 32 3HG1 VAL 32 -3.290 -19.220 -11.674 21 2HG1 VAL 32 2HG1 VAL 32 -2.878 -20.934 -11.598 22 3HG1 VAL 32 1HG1 VAL 32 -4.453 -20.379 -11.029 23 1HG2 VAL 32 2HG2 VAL 32 -0.795 -19.265 -9.909 24 2HG2 VAL 32 1HG2 VAL 32 -1.008 -20.604 -8.782 25 3HG2 VAL 32 3HG2 VAL 32 -1.091 -20.892 -10.519 26 H ALA 33 H ALA 33 -4.292 -16.385 -8.453 27 HA ALA 33 HA ALA 33 -7.008 -17.573 -8.573 28 1HB ALA 33 2HB ALA 33 -6.055 -16.213 -6.642 29 2HB ALA 33 1HB ALA 33 -6.116 -14.808 -7.706 30 3HB ALA 33 3HB ALA 33 -7.605 -15.642 -7.258 31 H CYS 34 H CYS 34 -8.703 -16.566 -9.838 32 HA CYS 34 HA CYS 34 -7.881 -15.643 -12.429 33 1HB CYS 34 2HB CYS 34 -10.091 -16.011 -12.916 34 2HB CYS 34 1HB CYS 34 -10.063 -16.823 -11.362 35 H LEU 35 H LEU 35 -8.852 -13.503 -13.336 36 HA LEU 35 HA LEU 35 -7.546 -11.284 -12.255 37 1HB LEU 35 2HB LEU 35 -9.673 -11.868 -14.193 38 2HB LEU 35 1HB LEU 35 -9.718 -10.225 -13.558 39 HG LEU 35 HG LEU 35 -7.180 -11.492 -14.604 40 1HD1 LEU 35 1HD1 LEU 35 -9.035 -11.356 -16.340 41 2HD1 LEU 35 3HD1 LEU 35 -9.003 -9.608 -16.117 42 3HD1 LEU 35 2HD1 LEU 35 -7.576 -10.446 -16.727 43 1HD2 LEU 35 3HD2 LEU 35 -7.773 -9.108 -13.198 44 2HD2 LEU 35 2HD2 LEU 35 -6.242 -9.546 -13.957 45 3HD2 LEU 35 1HD2 LEU 35 -7.443 -8.626 -14.863 46 H SER 36 H SER 36 -11.074 -11.739 -12.079 47 HA SER 36 HA SER 36 -11.725 -9.712 -10.285 48 1HB SER 36 2HB SER 36 -12.811 -12.258 -11.211 49 2HB SER 36 1HB SER 36 -13.330 -11.875 -9.573 50 HG SER 36 HG SER 36 -14.633 -10.986 -11.340 51 H CYS 37 H CYS 37 -10.445 -12.946 -9.512 52 HA CYS 37 HA CYS 37 -10.662 -12.565 -6.630 53 1HB CYS 37 2HB CYS 37 -9.055 -14.519 -8.309 54 2HB CYS 37 1HB CYS 37 -9.442 -14.702 -6.599 55 H ARG 38 H ARG 38 -8.355 -11.719 -9.089 56 HA ARG 38 HA ARG 38 -6.076 -11.458 -7.258 57 1HB ARG 38 2HB ARG 38 -6.707 -10.867 -10.146 58 2HB ARG 38 1HB ARG 38 -5.210 -10.274 -9.428 59 1HG ARG 38 2HG ARG 38 -6.111 -13.169 -9.461 60 2HG ARG 38 1HG ARG 38 -4.870 -12.473 -10.503 61 1HD ARG 38 2HD ARG 38 -4.021 -11.687 -7.995 62 2HD ARG 38 1HD ARG 38 -4.676 -13.309 -7.692 63 HE ARG 38 HE ARG 38 -3.143 -14.196 -9.365 64 1HH1 ARG 38 2HH1 ARG 38 -2.537 -12.465 -11.410 65 2HH1 ARG 38 1HH1 ARG 38 -1.111 -11.601 -10.940 66 1HH2 ARG 38 1HH2 ARG 38 -1.429 -12.378 -7.574 67 2HH2 ARG 38 2HH2 ARG 38 -0.483 -11.551 -8.767 68 H LYS 39 H LYS 39 -8.419 -9.301 -8.850 69 HA LYS 39 HA LYS 39 -7.218 -6.843 -7.896 70 1HB LYS 39 2HB LYS 39 -9.434 -5.918 -8.647 71 2HB LYS 39 1HB LYS 39 -8.652 -6.929 -9.862 72 1HG LYS 39 2HG LYS 39 -10.287 -8.497 -9.775 73 2HG LYS 39 1HG LYS 39 -10.370 -8.430 -8.016 74 1HD LYS 39 2HD LYS 39 -12.357 -7.398 -8.321 75 2HD LYS 39 1HD LYS 39 -11.395 -5.978 -8.739 76 1HE LYS 39 2HE LYS 39 -11.688 -7.841 -10.991 77 2HE LYS 39 1HE LYS 39 -13.237 -7.185 -10.423 78 1HZ LYS 39 2HZ LYS 39 -10.797 -5.579 -10.982 79 2HZ LYS 39 1HZ LYS 39 -12.150 -5.682 -12.005 80 3HZ LYS 39 3HZ LYS 39 -12.299 -4.971 -10.473 81 H ARG 40 H ARG 40 -9.420 -9.182 -6.515 82 HA ARG 40 HA ARG 40 -9.827 -7.362 -4.164 83 1HB ARG 40 2HB ARG 40 -11.566 -9.583 -5.281 84 2HB ARG 40 1HB ARG 40 -11.968 -8.568 -3.892 85 1HG ARG 40 2HG ARG 40 -12.018 -6.590 -5.266 86 2HG ARG 40 1HG ARG 40 -11.366 -7.476 -6.645 87 1HD ARG 40 2HD ARG 40 -13.385 -8.568 -7.073 88 2HD ARG 40 1HD ARG 40 -13.935 -8.417 -5.391 89 HE ARG 40 HE ARG 40 -13.649 -6.001 -7.135 90 1HH1 ARG 40 2HH1 ARG 40 -14.467 -5.279 -4.497 91 2HH1 ARG 40 1HH1 ARG 40 -16.195 -5.398 -4.519 92 1HH2 ARG 40 1HH2 ARG 40 -16.287 -7.353 -7.382 93 2HH2 ARG 40 2HH2 ARG 40 -17.224 -6.573 -6.153 94 H HIS 41 H HIS 41 -7.981 -9.886 -5.088 95 HA HIS 41 HA HIS 41 -6.877 -11.620 -3.935 96 1HB HIS 41 2HB HIS 41 -7.867 -9.988 -1.574 97 2HB HIS 41 1HB HIS 41 -6.504 -11.103 -1.571 98 HD1 HIS 41 HD1 HIS 41 -6.570 -7.825 -1.182 99 HD2 HIS 41 HD2 HIS 41 -5.126 -10.001 -4.431 100 HE1 HIS 41 HE1 HIS 41 -4.916 -6.322 -2.372 101 H ILE 42 H ILE 42 -9.046 -12.753 -4.781 102 HA ILE 42 HA ILE 42 -10.624 -13.752 -2.443 103 HB ILE 42 HB ILE 42 -11.153 -13.998 -5.422 104 1HG1 ILE 42 2HG1 ILE 42 -12.260 -11.977 -3.446 105 2HG1 ILE 42 1HG1 ILE 42 -11.031 -11.622 -4.657 106 1HG2 ILE 42 3HG2 ILE 42 -12.315 -15.272 -3.226 107 2HG2 ILE 42 2HG2 ILE 42 -13.422 -13.947 -3.590 108 3HG2 ILE 42 1HG2 ILE 42 -13.019 -15.127 -4.837 109 1HD1 ILE 42 3HD1 ILE 42 -13.770 -12.732 -5.319 110 2HD1 ILE 42 2HD1 ILE 42 -13.368 -11.016 -5.375 111 3HD1 ILE 42 1HD1 ILE 42 -12.558 -12.147 -6.459 112 H LYS 43 H LYS 43 -10.750 -15.990 -2.070 113 HA LYS 43 HA LYS 43 -8.497 -17.604 -2.933 114 1HB LYS 43 2HB LYS 43 -10.290 -17.540 -0.840 115 2HB LYS 43 1HB LYS 43 -10.846 -18.941 -1.757 116 1HG LYS 43 2HG LYS 43 -9.146 -20.155 -0.929 117 2HG LYS 43 1HG LYS 43 -7.996 -19.042 -1.671 118 1HD LYS 43 2HD LYS 43 -9.344 -18.493 0.984 119 2HD LYS 43 1HD LYS 43 -7.775 -19.287 0.846 120 1HE LYS 43 2HE LYS 43 -7.084 -17.243 -0.598 121 2HE LYS 43 1HE LYS 43 -8.515 -16.454 0.098 122 1HZ LYS 43 2HZ LYS 43 -6.501 -17.882 1.742 123 2HZ LYS 43 1HZ LYS 43 -6.407 -16.215 1.426 124 3HZ LYS 43 3HZ LYS 43 -7.734 -16.842 2.277 125 H CYS 44 H CYS 44 -8.817 -17.581 -5.302 126 HA CYS 44 HA CYS 44 -11.219 -18.621 -6.525 127 1HB CYS 44 2HB CYS 44 -9.347 -17.118 -7.460 128 2HB CYS 44 1HB CYS 44 -8.427 -18.605 -7.682 129 HA PRO 45 HA PRO 45 -10.417 -22.954 -5.709 130 1HB PRO 45 2HB PRO 45 -11.973 -23.743 -7.995 131 2HB PRO 45 1HB PRO 45 -12.452 -23.764 -6.296 132 1HG PRO 45 2HG PRO 45 -13.390 -22.007 -8.346 133 2HG PRO 45 1HG PRO 45 -13.819 -21.994 -6.633 134 1HD PRO 45 2HD PRO 45 -12.152 -20.112 -8.078 135 2HD PRO 45 1HD PRO 45 -12.653 -20.056 -6.370 136 H GLY 46 H GLY 46 -10.844 -22.697 -9.243 137 1HA GLY 46 2HA GLY 46 -8.364 -22.527 -10.302 138 2HA GLY 46 1HA GLY 46 -8.317 -24.161 -9.641 139 H GLY 47 H GLY 47 -9.837 -22.092 -12.044 140 1HA GLY 47 2HA GLY 47 -10.187 -24.238 -13.900 141 2HA GLY 47 1HA GLY 47 -11.729 -23.913 -13.107 142 H ASN 48 H ASN 48 -12.079 -23.391 -15.579 143 HA ASN 48 HA ASN 48 -11.996 -20.440 -15.809 144 1HB ASN 48 2HB ASN 48 -10.310 -22.359 -17.265 145 2HB ASN 48 1HB ASN 48 -11.153 -21.214 -18.312 146 1HD2 ASN 48 2HD2 ASN 48 -9.567 -18.342 -16.692 147 2HD2 ASN 48 1HD2 ASN 48 -11.109 -18.830 -17.209 148 HA PRO 49 HA PRO 49 -13.500 -19.146 -15.809 149 1HB PRO 49 2HB PRO 49 -16.178 -19.338 -14.790 150 2HB PRO 49 1HB PRO 49 -15.537 -18.148 -15.922 151 1HG PRO 49 2HG PRO 49 -17.390 -20.230 -16.483 152 2HG PRO 49 1HG PRO 49 -16.642 -19.123 -17.635 153 1HD PRO 49 2HD PRO 49 -16.093 -21.960 -17.221 154 2HD PRO 49 1HD PRO 49 -15.491 -20.888 -18.508 155 H CYS 50 H CYS 50 -13.264 -18.965 -13.470 156 HA CYS 50 HA CYS 50 -12.797 -21.432 -12.070 157 1HB CYS 50 2HB CYS 50 -12.383 -19.887 -10.178 158 2HB CYS 50 1HB CYS 50 -11.645 -19.278 -11.656 159 H GLN 51 H GLN 51 -14.180 -20.240 -9.536 160 HA GLN 51 HA GLN 51 -16.996 -20.978 -10.224 161 1HB GLN 51 2HB GLN 51 -15.565 -22.904 -9.376 162 2HB GLN 51 1HB GLN 51 -15.454 -22.038 -7.843 163 1HG GLN 51 2HG GLN 51 -17.379 -23.091 -7.289 164 2HG GLN 51 1HG GLN 51 -18.166 -21.966 -8.396 165 1HE2 GLN 51 2HE2 GLN 51 -18.857 -24.437 -10.827 166 2HE2 GLN 51 1HE2 GLN 51 -18.961 -22.798 -10.398 167 H LYS 52 H LYS 52 -14.772 -19.554 -7.828 168 HA LYS 52 HA LYS 52 -16.710 -18.537 -6.017 169 1HB LYS 52 2HB LYS 52 -13.891 -18.028 -6.790 170 2HB LYS 52 1HB LYS 52 -14.689 -16.722 -5.911 171 1HG LYS 52 2HG LYS 52 -15.098 -19.474 -4.858 172 2HG LYS 52 1HG LYS 52 -13.486 -18.786 -4.660 173 1HD LYS 52 2HD LYS 52 -14.427 -16.816 -3.556 174 2HD LYS 52 1HD LYS 52 -16.061 -17.424 -3.818 175 1HE LYS 52 2HE LYS 52 -14.339 -19.395 -2.493 176 2HE LYS 52 1HE LYS 52 -14.541 -17.905 -1.549 177 1HZ LYS 52 2HZ LYS 52 -16.959 -18.051 -2.096 178 2HZ LYS 52 1HZ LYS 52 -16.676 -19.609 -2.712 179 3HZ LYS 52 3HZ LYS 52 -16.400 -19.284 -1.070 180 H CYS 53 H CYS 53 -15.751 -17.415 -9.186 181 HA CYS 53 HA CYS 53 -17.205 -14.840 -8.813 182 1HB CYS 53 2HB CYS 53 -15.272 -16.068 -10.725 183 2HB CYS 53 1HB CYS 53 -16.217 -14.678 -11.244 184 H VAL 54 H VAL 54 -17.204 -17.816 -10.749 185 HA VAL 54 HA VAL 54 -19.339 -17.178 -12.519 186 HB VAL 54 HB VAL 54 -18.835 -19.914 -11.306 187 1HG1 VAL 54 3HG1 VAL 54 -20.563 -19.055 -13.266 188 2HG1 VAL 54 2HG1 VAL 54 -19.164 -19.566 -14.214 189 3HG1 VAL 54 1HG1 VAL 54 -19.955 -20.704 -13.119 190 1HG2 VAL 54 3HG2 VAL 54 -17.116 -18.321 -13.204 191 2HG2 VAL 54 2HG2 VAL 54 -16.621 -19.304 -11.826 192 3HG2 VAL 54 1HG2 VAL 54 -17.166 -20.081 -13.312 193 H THR 55 H THR 55 -19.185 -18.284 -9.218 194 HA THR 55 HA THR 55 -22.056 -18.701 -8.911 195 HB THR 55 HB THR 55 -20.227 -19.906 -7.694 196 HG1 THR 55 HG1 THR 55 -21.532 -20.121 -6.061 197 1HG2 THR 55 1HG2 THR 55 -18.887 -17.704 -7.463 198 2HG2 THR 55 3HG2 THR 55 -19.882 -17.420 -6.038 199 3HG2 THR 55 2HG2 THR 55 -18.843 -18.843 -6.121 200 H SER 56 H SER 56 -19.678 -16.190 -8.289 201 HA SER 56 HA SER 56 -21.686 -14.423 -6.998 202 1HB SER 56 2HB SER 56 -18.709 -14.227 -7.554 203 2HB SER 56 1HB SER 56 -19.633 -13.000 -6.694 204 HG SER 56 HG SER 56 -18.683 -15.401 -5.836 205 H ASN 57 H ASN 57 -21.614 -15.227 -9.948 206 HA ASN 57 HA ASN 57 -21.734 -14.268 -12.074 207 1HB ASN 57 2HB ASN 57 -23.370 -12.479 -12.107 208 2HB ASN 57 1HB ASN 57 -23.799 -13.633 -10.851 209 1HD2 ASN 57 2HD2 ASN 57 -23.308 -11.330 -8.187 210 2HD2 ASN 57 1HD2 ASN 57 -23.534 -12.961 -8.598 211 H ALA 58 H ALA 58 -19.292 -13.978 -11.595 212 HA ALA 58 HA ALA 58 -18.593 -11.112 -12.143 213 1HB ALA 58 2HB ALA 58 -17.948 -12.800 -9.934 214 2HB ALA 58 1HB ALA 58 -16.463 -12.544 -10.853 215 3HB ALA 58 3HB ALA 58 -17.371 -11.160 -10.242 216 H ILE 59 H ILE 59 -16.431 -10.971 -13.322 217 HA ILE 59 HA ILE 59 -16.333 -12.988 -15.454 218 HB ILE 59 HB ILE 59 -14.581 -10.569 -14.946 219 1HG1 ILE 59 2HG1 ILE 59 -17.212 -10.795 -16.448 220 2HG1 ILE 59 1HG1 ILE 59 -16.951 -9.902 -14.948 221 1HG2 ILE 59 2HG2 ILE 59 -14.359 -12.583 -16.821 222 2HG2 ILE 59 1HG2 ILE 59 -15.270 -11.349 -17.691 223 3HG2 ILE 59 3HG2 ILE 59 -13.697 -10.959 -16.995 224 1HD1 ILE 59 1HD1 ILE 59 -14.972 -9.044 -16.809 225 2HD1 ILE 59 3HD1 ILE 59 -16.526 -9.015 -17.641 226 3HD1 ILE 59 2HD1 ILE 59 -16.310 -8.108 -16.144 227 H CYS 60 H CYS 60 -14.854 -14.583 -15.574 228 HA CYS 60 HA CYS 60 -12.692 -14.695 -13.508 229 1HB CYS 60 2HB CYS 60 -13.851 -17.029 -15.044 230 2HB CYS 60 1HB CYS 60 -13.024 -17.046 -13.495 231 H GLU 61 H GLU 61 -10.669 -14.395 -14.380 232 HA GLU 61 HA GLU 61 -10.006 -15.675 -16.971 233 1HB GLU 61 2HB GLU 61 -10.494 -12.804 -16.504 234 2HB GLU 61 1HB GLU 61 -8.977 -13.149 -17.334 235 1HG GLU 61 2HG GLU 61 -11.619 -14.352 -18.187 236 2HG GLU 61 1HG GLU 61 -11.001 -12.839 -18.847 237 H TYR 62 H TYR 62 -7.579 -15.232 -17.443 238 HA TYR 62 HA TYR 62 -6.036 -14.959 -14.888 239 1HB TYR 62 2HB TYR 62 -6.020 -17.112 -17.005 240 2HB TYR 62 1HB TYR 62 -4.626 -16.863 -15.952 241 HD1 TYR 62 HD1 TYR 62 -5.323 -16.511 -13.347 242 HD2 TYR 62 HD2 TYR 62 -7.601 -18.682 -16.303 243 HE1 TYR 62 HE1 TYR 62 -6.464 -17.784 -11.534 244 HE2 TYR 62 HE2 TYR 62 -8.741 -19.954 -14.489 245 HH TYR 62 HH TYR 62 -7.833 -20.481 -11.755 246 H LEU 63 H LEU 63 -6.555 -13.368 -17.576 247 HA LEU 63 HA LEU 63 -3.726 -13.101 -18.476 248 1HB LEU 63 2HB LEU 63 -6.396 -12.873 -19.617 249 2HB LEU 63 1HB LEU 63 -5.424 -11.445 -19.975 250 HG LEU 63 HG LEU 63 -3.595 -12.928 -20.786 251 1HD1 LEU 63 2HD1 LEU 63 -4.426 -14.890 -19.359 252 2HD1 LEU 63 1HD1 LEU 63 -5.625 -15.164 -20.623 253 3HD1 LEU 63 3HD1 LEU 63 -3.906 -15.282 -20.998 254 1HD2 LEU 63 3HD2 LEU 63 -5.835 -12.135 -22.111 255 2HD2 LEU 63 2HD2 LEU 63 -4.510 -13.004 -22.883 256 3HD2 LEU 63 1HD2 LEU 63 -5.938 -13.881 -22.337 257 H GLU 64 H GLU 64 -2.547 -11.444 -17.610 258 HA GLU 64 HA GLU 64 -3.732 -8.798 -17.179 259 1HB GLU 64 2HB GLU 64 -4.459 -10.170 -15.214 260 2HB GLU 64 1HB GLU 64 -2.762 -10.454 -14.827 261 1HG GLU 64 2HG GLU 64 -3.639 -8.590 -13.488 262 2HG GLU 64 1HG GLU 64 -2.413 -8.010 -14.615 263 HA PRO 65 HA PRO 65 0.924 -9.277 -17.973 264 1HB PRO 65 2HB PRO 65 0.602 -7.356 -20.090 265 2HB PRO 65 1HB PRO 65 1.065 -9.055 -20.224 266 1HG PRO 65 2HG PRO 65 -1.422 -7.844 -20.984 267 2HG PRO 65 1HG PRO 65 -0.956 -9.543 -21.112 268 1HD PRO 65 2HD PRO 65 -2.854 -8.376 -19.268 269 2HD PRO 65 1HD PRO 65 -2.358 -10.082 -19.394 270 H SER 66 H SER 66 2.432 -7.196 -18.195 271 HA SER 66 HA SER 66 1.377 -5.187 -16.260 272 1HB SER 66 2HB SER 66 3.677 -4.851 -15.723 273 2HB SER 66 1HB SER 66 3.523 -6.586 -15.981 274 HG SER 66 HG SER 66 4.893 -6.380 -17.548 275 H LYS 67 H LYS 67 0.493 -4.993 -19.004 276 HA LYS 67 HA LYS 67 1.495 -2.279 -19.621 277 1HB LYS 67 2HB LYS 67 2.236 -4.756 -21.031 278 2HB LYS 67 1HB LYS 67 1.638 -3.486 -22.099 279 1HG LYS 67 2HG LYS 67 3.237 -1.902 -20.887 280 2HG LYS 67 1HG LYS 67 3.963 -3.343 -20.171 281 1HD LYS 67 2HD LYS 67 4.192 -4.229 -22.567 282 2HD LYS 67 1HD LYS 67 3.823 -2.586 -23.093 283 1HE LYS 67 2HE LYS 67 5.811 -2.430 -21.030 284 2HE LYS 67 1HE LYS 67 6.349 -3.602 -22.249 285 1HZ LYS 67 3HZ LYS 67 5.702 -1.983 -23.972 286 2HZ LYS 67 2HZ LYS 67 5.358 -0.847 -22.756 287 3HZ LYS 67 1HZ LYS 67 6.947 -1.405 -22.977 288 H LYS 68 H LYS 68 -0.566 -5.002 -20.686 289 HA LYS 68 HA LYS 68 -2.418 -3.235 -22.110 290 1HB LYS 68 2HB LYS 68 -1.968 -5.510 -22.861 291 2HB LYS 68 1HB LYS 68 -2.477 -6.157 -21.301 292 1HG LYS 68 2HG LYS 68 -4.749 -5.489 -21.661 293 2HG LYS 68 1HG LYS 68 -4.307 -4.514 -23.063 294 1HD LYS 68 2HD LYS 68 -4.704 -6.308 -24.362 295 2HD LYS 68 1HD LYS 68 -3.330 -7.105 -23.596 296 1HE LYS 68 2HE LYS 68 -5.754 -7.145 -21.930 297 2HE LYS 68 1HE LYS 68 -5.930 -8.021 -23.464 298 1HZ LYS 68 3HZ LYS 68 -3.566 -8.295 -21.692 299 2HZ LYS 68 2HZ LYS 68 -4.900 -9.344 -21.625 300 3HZ LYS 68 1HZ LYS 68 -3.962 -9.248 -23.037 301 H ILE 69 H ILE 69 -4.165 -2.217 -21.184 302 HA ILE 69 HA ILE 69 -4.704 -2.596 -18.320 303 HB ILE 69 HB ILE 69 -4.648 -0.402 -19.567 304 1HG1 ILE 69 2HG1 ILE 69 -6.594 0.537 -18.395 305 2HG1 ILE 69 1HG1 ILE 69 -7.258 -1.085 -18.192 306 1HG2 ILE 69 3HG2 ILE 69 -5.827 -1.195 -21.599 307 2HG2 ILE 69 2HG2 ILE 69 -7.306 -1.355 -20.651 308 3HG2 ILE 69 1HG2 ILE 69 -6.587 0.236 -20.903 309 1HD1 ILE 69 3HD1 ILE 69 -4.475 -0.763 -17.254 310 2HD1 ILE 69 2HD1 ILE 69 -5.673 0.159 -16.345 311 3HD1 ILE 69 1HD1 ILE 69 -5.832 -1.591 -16.490 312 H VAL 70 H VAL 70 -6.760 -3.260 -17.478 313 HA VAL 70 HA VAL 70 -8.761 -4.374 -19.351 314 HB VAL 70 HB VAL 70 -7.636 -6.136 -17.166 315 1HG1 VAL 70 2HG1 VAL 70 -9.865 -6.525 -18.376 316 2HG1 VAL 70 1HG1 VAL 70 -8.898 -6.867 -19.812 317 3HG1 VAL 70 3HG1 VAL 70 -8.727 -7.873 -18.373 318 1HG2 VAL 70 2HG2 VAL 70 -6.674 -5.925 -20.043 319 2HG2 VAL 70 1HG2 VAL 70 -5.714 -5.632 -18.592 320 3HG2 VAL 70 3HG2 VAL 70 -6.282 -7.262 -18.959 321 H VAL 71 H VAL 71 -10.339 -2.984 -18.476 322 HA VAL 71 HA VAL 71 -11.396 -3.716 -15.852 323 HB VAL 71 HB VAL 71 -11.181 -1.137 -15.208 324 1HG1 VAL 71 2HG1 VAL 71 -10.060 -3.446 -14.330 325 2HG1 VAL 71 1HG1 VAL 71 -8.616 -2.558 -14.819 326 3HG1 VAL 71 3HG1 VAL 71 -9.718 -1.865 -13.627 327 1HG2 VAL 71 1HG2 VAL 71 -9.773 -1.050 -17.550 328 2HG2 VAL 71 3HG2 VAL 71 -9.517 0.067 -16.209 329 3HG2 VAL 71 2HG2 VAL 71 -8.475 -1.345 -16.394 330 H SER 72 H SER 72 -11.650 -0.533 -17.467 331 HA SER 72 HA SER 72 -14.347 -1.256 -18.487 332 1HB SER 72 2HB SER 72 -14.614 -0.626 -16.123 333 2HB SER 72 1HB SER 72 -13.767 0.890 -16.423 334 HG SER 72 HG SER 72 -16.049 1.129 -16.497 335 H THR 73 H THR 73 -14.728 -0.185 -20.401 336 HA THR 73 HA THR 73 -12.802 1.626 -21.560 337 HB THR 73 HB THR 73 -14.357 0.112 -22.793 338 HG1 THR 73 HG1 THR 73 -14.769 1.578 -24.395 339 1HG2 THR 73 3HG2 THR 73 -16.320 0.423 -21.327 340 2HG2 THR 73 2HG2 THR 73 -16.468 2.090 -21.883 341 3HG2 THR 73 1HG2 THR 73 -16.723 0.759 -23.011 342 H LYS 74 H LYS 74 -15.873 2.102 -19.830 343 HA LYS 74 HA LYS 74 -16.292 4.859 -20.281 344 1HB LYS 74 2HB LYS 74 -17.711 3.174 -19.016 345 2HB LYS 74 1HB LYS 74 -16.601 3.372 -17.661 346 1HG LYS 74 2HG LYS 74 -17.337 5.976 -18.569 347 2HG LYS 74 1HG LYS 74 -18.814 5.030 -18.377 348 1HD LYS 74 2HD LYS 74 -16.674 5.031 -16.251 349 2HD LYS 74 1HD LYS 74 -17.919 6.280 -16.296 350 1HE LYS 74 2HE LYS 74 -19.682 4.651 -16.051 351 2HE LYS 74 1HE LYS 74 -18.544 3.308 -16.280 352 1HZ LYS 74 2HZ LYS 74 -17.303 4.143 -14.335 353 2HZ LYS 74 1HZ LYS 74 -18.521 5.297 -14.071 354 3HZ LYS 74 3HZ LYS 74 -18.876 3.644 -13.936 355 H TYR 75 H TYR 75 -13.873 3.187 -18.413 356 HA TYR 75 HA TYR 75 -12.956 5.303 -16.713 357 1HB TYR 75 2HB TYR 75 -12.475 2.715 -16.899 358 2HB TYR 75 1HB TYR 75 -11.198 3.218 -18.001 359 HD1 TYR 75 HD2 TYR 75 -10.621 5.929 -16.525 360 HD2 TYR 75 HD1 TYR 75 -11.025 1.844 -15.182 361 HE1 TYR 75 HE2 TYR 75 -9.144 6.420 -14.583 362 HE2 TYR 75 HE1 TYR 75 -9.547 2.336 -13.244 363 HH TYR 75 HH TYR 75 -7.910 5.464 -12.914 364 H LEU 76 H LEU 76 -11.680 4.104 -19.834 365 HA LEU 76 HA LEU 76 -9.747 6.110 -20.293 366 1HB LEU 76 2HB LEU 76 -11.391 4.196 -21.891 367 2HB LEU 76 1HB LEU 76 -10.541 5.452 -22.785 368 HG LEU 76 HG LEU 76 -9.278 3.499 -20.840 369 1HD1 LEU 76 3HD1 LEU 76 -10.071 2.812 -23.261 370 2HD1 LEU 76 2HD1 LEU 76 -8.635 3.706 -23.764 371 3HD1 LEU 76 1HD1 LEU 76 -8.478 2.322 -22.682 372 1HD2 LEU 76 3HD2 LEU 76 -8.215 5.853 -22.398 373 2HD2 LEU 76 2HD2 LEU 76 -7.971 5.460 -20.696 374 3HD2 LEU 76 1HD2 LEU 76 -7.157 4.516 -21.944 375 H GLN 77 H GLN 77 -13.144 5.983 -21.432 376 HA GLN 77 HA GLN 77 -13.198 8.526 -22.712 377 1HB GLN 77 2HB GLN 77 -14.943 6.375 -22.037 378 2HB GLN 77 1HB GLN 77 -15.727 7.870 -21.523 379 1HG GLN 77 2HG GLN 77 -14.424 7.846 -24.210 380 2HG GLN 77 1HG GLN 77 -15.946 6.973 -24.030 381 1HE2 GLN 77 2HE2 GLN 77 -15.921 11.058 -23.818 382 2HE2 GLN 77 1HE2 GLN 77 -14.459 10.198 -23.809 383 H GLN 78 H GLN 78 -14.353 7.656 -19.418 384 HA GLN 78 HA GLN 78 -15.157 10.176 -18.511 385 1HB GLN 78 2HB GLN 78 -15.254 7.914 -17.367 386 2HB GLN 78 1HB GLN 78 -13.561 8.140 -16.928 387 1HG GLN 78 2HG GLN 78 -14.029 9.839 -15.431 388 2HG GLN 78 1HG GLN 78 -15.476 10.349 -16.302 389 1HE2 GLN 78 2HE2 GLN 78 -16.850 8.691 -13.343 390 2HE2 GLN 78 1HE2 GLN 78 -16.122 10.165 -13.765 391 H LEU 79 H LEU 79 -11.880 8.917 -18.865 392 HA LEU 79 HA LEU 79 -10.593 11.166 -17.499 393 1HB LEU 79 2HB LEU 79 -9.989 8.562 -18.508 394 2HB LEU 79 1HB LEU 79 -8.876 9.702 -19.261 395 HG LEU 79 HG LEU 79 -8.230 10.572 -17.063 396 1HD1 LEU 79 1HD1 LEU 79 -10.668 9.253 -16.272 397 2HD1 LEU 79 3HD1 LEU 79 -9.329 8.638 -15.303 398 3HD1 LEU 79 2HD1 LEU 79 -9.668 10.368 -15.343 399 1HD2 LEU 79 1HD2 LEU 79 -7.833 7.853 -17.963 400 2HD2 LEU 79 3HD2 LEU 79 -6.695 8.924 -17.148 401 3HD2 LEU 79 2HD2 LEU 79 -7.788 7.915 -16.201 402 H GLN 80 H GLN 80 -11.244 10.176 -20.833 403 HA GLN 80 HA GLN 80 -9.700 12.227 -22.124 404 1HB GLN 80 2HB GLN 80 -11.494 10.041 -22.722 405 2HB GLN 80 1HB GLN 80 -11.874 11.430 -23.738 406 1HG GLN 80 2HG GLN 80 -9.892 11.307 -24.865 407 2HG GLN 80 1HG GLN 80 -8.990 10.850 -23.423 408 1HE2 GLN 80 1HE2 GLN 80 -10.316 8.524 -22.617 409 2HE2 GLN 80 2HE2 GLN 80 -10.177 7.336 -23.820 410 H LYS 81 H LYS 81 -13.233 11.943 -21.511 411 HA LYS 81 HA LYS 81 -13.974 14.515 -22.471 412 1HB LYS 81 2HB LYS 81 -15.205 12.330 -21.357 413 2HB LYS 81 1HB LYS 81 -15.336 13.497 -20.040 414 1HG LYS 81 2HG LYS 81 -17.288 13.827 -21.365 415 2HG LYS 81 1HG LYS 81 -16.204 15.151 -21.794 416 1HD LYS 81 2HD LYS 81 -15.363 13.444 -23.633 417 2HD LYS 81 1HD LYS 81 -16.956 12.727 -23.388 418 1HE LYS 81 2HE LYS 81 -17.782 15.236 -23.612 419 2HE LYS 81 1HE LYS 81 -16.250 15.427 -24.489 420 1HZ LYS 81 2HZ LYS 81 -16.898 13.291 -25.666 421 2HZ LYS 81 1HZ LYS 81 -18.464 13.547 -25.059 422 3HZ LYS 81 3HZ LYS 81 -17.763 14.688 -26.099 423 H ASP 82 H ASP 82 -12.757 13.457 -19.305 424 HA ASP 82 HA ASP 82 -13.013 15.974 -17.948 425 1HB ASP 82 2HB ASP 82 -11.677 13.369 -17.666 426 2HB ASP 82 1HB ASP 82 -10.746 14.690 -16.964 427 H LEU 83 H LEU 83 -10.526 14.525 -20.015 428 HA LEU 83 HA LEU 83 -8.554 16.593 -19.815 429 1HB LEU 83 2HB LEU 83 -9.026 14.152 -21.191 430 2HB LEU 83 1HB LEU 83 -8.688 15.365 -22.427 431 HG LEU 83 HG LEU 83 -6.936 15.413 -20.027 432 1HD1 LEU 83 2HD1 LEU 83 -7.398 12.985 -21.522 433 2HD1 LEU 83 1HD1 LEU 83 -5.758 13.561 -21.822 434 3HD1 LEU 83 3HD1 LEU 83 -6.297 13.256 -20.171 435 1HD2 LEU 83 2HD2 LEU 83 -6.775 16.905 -22.082 436 2HD2 LEU 83 1HD2 LEU 83 -5.290 16.049 -21.670 437 3HD2 LEU 83 3HD2 LEU 83 -6.301 15.471 -22.993 438 H ASN 84 H ASN 84 -11.260 16.046 -22.092 439 HA ASN 84 HA ASN 84 -10.861 18.370 -23.707 440 1HB ASN 84 2HB ASN 84 -12.507 16.256 -23.721 441 2HB ASN 84 1HB ASN 84 -13.608 17.424 -22.996 442 1HD2 ASN 84 2HD2 ASN 84 -14.371 18.264 -26.376 443 2HD2 ASN 84 1HD2 ASN 84 -14.921 17.452 -24.990 444 H ASP 85 H ASP 85 -12.289 17.842 -20.543 445 HA ASP 85 HA ASP 85 -13.591 20.407 -20.264 446 1HB ASP 85 2HB ASP 85 -13.379 18.030 -18.862 447 2HB ASP 85 1HB ASP 85 -12.452 19.140 -17.854 448 H LYS 86 H LYS 86 -10.298 19.361 -20.227 449 HA LYS 86 HA LYS 86 -9.189 21.557 -18.639 450 1HB LYS 86 2HB LYS 86 -8.161 19.281 -19.102 451 2HB LYS 86 1HB LYS 86 -7.907 19.803 -20.759 452 1HG LYS 86 2HG LYS 86 -6.934 21.619 -18.622 453 2HG LYS 86 1HG LYS 86 -6.035 20.124 -18.860 454 1HD LYS 86 2HD LYS 86 -6.707 22.154 -20.990 455 2HD LYS 86 1HD LYS 86 -5.131 21.953 -20.226 456 1HE LYS 86 2HE LYS 86 -5.278 19.486 -21.034 457 2HE LYS 86 1HE LYS 86 -6.549 20.076 -22.123 458 1HZ LYS 86 2HZ LYS 86 -3.935 21.443 -21.850 459 2HZ LYS 86 1HZ LYS 86 -4.194 20.216 -22.995 460 3HZ LYS 86 3HZ LYS 86 -5.103 21.646 -23.068 461 H THR 87 H THR 87 -9.824 20.801 -21.991 462 HA THR 87 HA THR 87 -8.571 23.179 -23.061 463 HB THR 87 HB THR 87 -10.285 20.874 -23.970 464 HG1 THR 87 HG1 THR 87 -8.422 20.306 -24.695 465 1HG2 THR 87 3HG2 THR 87 -9.808 23.393 -25.585 466 2HG2 THR 87 2HG2 THR 87 -10.299 21.851 -26.289 467 3HG2 THR 87 1HG2 THR 87 -11.361 22.680 -25.151 468 H GLU 88 H GLU 88 -11.926 22.132 -22.394 469 HA GLU 88 HA GLU 88 -13.209 24.577 -23.184 470 1HB GLU 88 2HB GLU 88 -13.913 22.383 -21.203 471 2HB GLU 88 1HB GLU 88 -15.044 23.633 -21.721 472 1HG GLU 88 2HG GLU 88 -14.002 22.666 -24.112 473 2HG GLU 88 1HG GLU 88 -14.185 21.217 -23.123 474 H GLU 89 H GLU 89 -11.714 23.451 -20.183 475 HA GLU 89 HA GLU 89 -12.561 25.696 -18.544 476 1HB GLU 89 2HB GLU 89 -10.496 23.506 -18.440 477 2HB GLU 89 1HB GLU 89 -10.440 24.809 -17.256 478 1HG GLU 89 2HG GLU 89 -13.091 23.535 -17.735 479 2HG GLU 89 1HG GLU 89 -11.894 22.586 -16.853 480 H ASN 90 H ASN 90 -9.482 24.834 -20.132 481 HA ASN 90 HA ASN 90 -7.990 27.170 -19.641 482 1HB ASN 90 2HB ASN 90 -8.155 24.995 -21.658 483 2HB ASN 90 1HB ASN 90 -7.263 26.421 -22.171 484 1HD2 ASN 90 2HD2 ASN 90 -5.696 23.961 -19.329 485 2HD2 ASN 90 1HD2 ASN 90 -7.255 23.695 -19.947 486 H ASN 91 H ASN 91 -10.636 26.557 -21.836 487 HA ASN 91 HA ASN 91 -10.339 29.017 -23.395 488 1HB ASN 91 2HB ASN 91 -12.145 26.655 -23.162 489 2HB ASN 91 1HB ASN 91 -12.839 28.102 -23.887 490 1HD2 ASN 91 2HD2 ASN 91 -9.880 26.068 -25.863 491 2HD2 ASN 91 1HD2 ASN 91 -10.175 25.746 -24.223 492 H ARG 92 H ARG 92 -12.310 27.881 -20.665 493 HA ARG 92 HA ARG 92 -13.889 30.343 -20.516 494 1HB ARG 92 2HB ARG 92 -14.562 27.982 -19.835 495 2HB ARG 92 1HB ARG 92 -13.488 28.172 -18.449 496 1HG ARG 92 2HG ARG 92 -14.786 29.893 -17.514 497 2HG ARG 92 1HG ARG 92 -15.596 30.237 -19.042 498 1HD ARG 92 2HD ARG 92 -16.787 28.080 -18.921 499 2HD ARG 92 1HD ARG 92 -15.958 27.705 -17.396 500 HE ARG 92 HE ARG 92 -17.043 30.195 -16.917 501 1HH1 ARG 92 1HH2 ARG 92 -17.979 27.219 -16.179 502 2HH1 ARG 92 2HH2 ARG 92 -19.686 27.435 -16.377 503 1HH2 ARG 92 2HH1 ARG 92 -19.379 30.481 -18.004 504 2HH2 ARG 92 1HH1 ARG 92 -20.478 29.281 -17.411 505 H LEU 93 H LEU 93 -11.533 28.797 -18.293 506 HA LEU 93 HA LEU 93 -11.167 30.850 -16.443 507 1HB LEU 93 2HB LEU 93 -9.976 28.435 -17.157 508 2HB LEU 93 1HB LEU 93 -8.662 29.603 -17.311 509 HG LEU 93 HG LEU 93 -10.425 29.231 -14.871 510 1HD1 LEU 93 3HD1 LEU 93 -8.582 27.499 -15.474 511 2HD1 LEU 93 2HD1 LEU 93 -7.450 28.785 -15.051 512 3HD1 LEU 93 1HD1 LEU 93 -8.585 28.176 -13.846 513 1HD2 LEU 93 1HD2 LEU 93 -9.585 31.589 -15.398 514 2HD2 LEU 93 3HD2 LEU 93 -9.112 30.938 -13.829 515 3HD2 LEU 93 2HD2 LEU 93 -7.956 30.958 -15.160 516 H LYS 94 H LYS 94 -9.726 30.539 -19.676 517 HA LYS 94 HA LYS 94 -8.013 32.862 -19.478 518 1HB LYS 94 2HB LYS 94 -7.688 31.051 -21.103 519 2HB LYS 94 1HB LYS 94 -9.268 31.378 -21.818 520 1HG LYS 94 2HG LYS 94 -8.503 33.653 -22.436 521 2HG LYS 94 1HG LYS 94 -6.914 33.291 -21.760 522 1HD LYS 94 2HD LYS 94 -6.728 31.370 -23.354 523 2HD LYS 94 1HD LYS 94 -8.250 31.878 -24.086 524 1HE LYS 94 2HE LYS 94 -7.284 34.028 -24.724 525 2HE LYS 94 1HE LYS 94 -5.772 33.628 -23.885 526 1HZ LYS 94 3HZ LYS 94 -5.665 31.598 -25.292 527 2HZ LYS 94 2HZ LYS 94 -6.976 32.195 -26.191 528 3HZ LYS 94 1HZ LYS 94 -5.503 33.042 -26.168 529 H ALA 95 H ALA 95 -11.342 32.289 -20.576 530 HA ALA 95 HA ALA 95 -11.688 35.149 -21.283 531 1HB ALA 95 3HB ALA 95 -12.539 33.154 -22.620 532 2HB ALA 95 2HB ALA 95 -13.689 32.873 -21.311 533 3HB ALA 95 1HB ALA 95 -13.758 34.371 -22.239 534 H LEU 96 H LEU 96 -11.692 33.503 -18.423 535 HA LEU 96 HA LEU 96 -14.142 34.771 -17.316 536 1HB LEU 96 2HB LEU 96 -12.804 32.355 -16.937 537 2HB LEU 96 1HB LEU 96 -12.375 33.292 -15.506 538 HG LEU 96 HG LEU 96 -15.217 32.975 -16.504 539 1HD1 LEU 96 2HD1 LEU 96 -14.060 30.818 -15.754 540 2HD1 LEU 96 1HD1 LEU 96 -13.955 31.550 -14.153 541 3HD1 LEU 96 3HD1 LEU 96 -15.532 31.250 -14.883 542 1HD2 LEU 96 2HD2 LEU 96 -14.666 34.964 -15.077 543 2HD2 LEU 96 1HD2 LEU 96 -15.800 33.855 -14.306 544 3HD2 LEU 96 3HD2 LEU 96 -14.104 33.859 -13.821 545 H LEU 97 H LEU 97 -10.647 35.047 -17.322 546 HA LEU 97 HA LEU 97 -10.752 37.106 -15.170 547 1HB LEU 97 2HB LEU 97 -8.410 35.764 -16.558 548 2HB LEU 97 1HB LEU 97 -8.336 36.741 -15.094 549 HG LEU 97 HG LEU 97 -9.805 34.106 -15.400 550 1HD1 LEU 97 2HD1 LEU 97 -7.334 34.876 -13.816 551 2HD1 LEU 97 1HD1 LEU 97 -8.119 33.298 -13.780 552 3HD1 LEU 97 3HD1 LEU 97 -7.356 33.869 -15.263 553 1HD2 LEU 97 2HD2 LEU 97 -9.479 35.960 -13.018 554 2HD2 LEU 97 1HD2 LEU 97 -10.984 35.621 -13.872 555 3HD2 LEU 97 3HD2 LEU 97 -10.186 34.347 -12.950 556 H LEU 98 H LEU 98 -9.945 36.640 -18.585 557 HA LEU 98 HA LEU 98 -8.850 39.313 -18.963 558 1HB LEU 98 2HB LEU 98 -10.000 37.305 -20.926 559 2HB LEU 98 1HB LEU 98 -8.922 38.643 -21.320 560 HG LEU 98 HG LEU 98 -8.233 36.364 -19.448 561 1HD1 LEU 98 1HD1 LEU 98 -8.342 36.376 -22.256 562 2HD1 LEU 98 3HD1 LEU 98 -6.638 36.598 -21.864 563 3HD1 LEU 98 2HD1 LEU 98 -7.511 35.198 -21.240 564 1HD2 LEU 98 3HD2 LEU 98 -7.086 38.501 -18.951 565 2HD2 LEU 98 2HD2 LEU 98 -5.957 37.306 -19.583 566 3HD2 LEU 98 1HD2 LEU 98 -6.547 38.598 -20.627 567 H GLU 99 H GLU 99 -12.026 37.934 -18.890 568 HA GLU 99 HA GLU 99 -13.391 39.915 -20.498 569 1HB GLU 99 2HB GLU 99 -14.116 37.566 -19.792 570 2HB GLU 99 1HB GLU 99 -14.507 38.265 -18.221 571 1HG GLU 99 2HG GLU 99 -16.039 39.862 -19.309 572 2HG GLU 99 1HG GLU 99 -15.648 39.168 -20.882 573 H ARG 100 HN ARG 100 -12.735 39.603 -17.015 574 HA ARG 100 HA ARG 100 -13.716 42.420 -16.668 575 1HB ARG 100 2HB ARG 100 -14.138 39.872 -15.204 576 2HB ARG 100 1HB ARG 100 -13.886 41.297 -14.195 577 1HG ARG 100 2HG ARG 100 -15.666 42.479 -15.494 578 2HG ARG 100 1HG ARG 100 -15.970 40.980 -16.374 579 1HD ARG 100 2HD ARG 100 -16.946 39.942 -14.545 580 2HD ARG 100 1HD ARG 100 -15.988 40.874 -13.377 581 HE ARG 100 HE ARG 100 -18.058 42.252 -15.032 582 1HH1 ARG 100 1HH2 ARG 100 -17.600 44.300 -13.513 583 2HH1 ARG 100 2HH2 ARG 100 -18.210 44.024 -11.915 584 1HH2 ARG 100 1HH1 ARG 100 -18.467 40.590 -12.319 585 2HH2 ARG 100 2HH1 ARG 100 -18.701 41.925 -11.240 586 1H MET 30 2H MET 30 -19.751 -28.028 -29.011 587 2H MET 30 1H MET 30 -20.078 -28.483 -27.406 588 3H MET 30 3H MET 30 -21.318 -28.510 -28.564 589 HA MET 30 HA MET 30 -21.601 -26.562 -27.196 590 1HB MET 30 2HB MET 30 -19.685 -24.974 -27.071 591 2HB MET 30 1HB MET 30 -19.265 -26.560 -26.423 592 1HG MET 30 2HG MET 30 -17.978 -27.128 -28.306 593 2HG MET 30 1HG MET 30 -18.757 -25.913 -29.320 594 1HE MET 30 2HE MET 30 -15.680 -26.831 -28.362 595 2HE MET 30 1HE MET 30 -14.849 -25.630 -27.376 596 3HE MET 30 3HE MET 30 -16.055 -26.700 -26.646 597 H SER 31 H SER 31 -22.513 -27.229 -29.707 598 HA SER 31 HA SER 31 -21.717 -25.643 -31.910 599 1HB SER 31 2HB SER 31 -23.788 -26.332 -32.814 600 2HB SER 31 1HB SER 31 -23.442 -27.576 -31.617 601 HG SER 31 HG SER 31 -25.380 -25.604 -31.649 602 H VAL 32 H VAL 32 -22.002 -23.482 -32.394 603 HA VAL 32 HA VAL 32 -23.319 -21.774 -30.345 604 HB VAL 32 HB VAL 32 -21.521 -21.209 -32.724 605 1HG1 VAL 32 3HG1 VAL 32 -22.969 -19.452 -30.792 606 2HG1 VAL 32 2HG1 VAL 32 -21.325 -18.994 -31.235 607 3HG1 VAL 32 1HG1 VAL 32 -22.560 -19.163 -32.483 608 1HG2 VAL 32 1HG2 VAL 32 -20.996 -22.182 -30.100 609 2HG2 VAL 32 3HG2 VAL 32 -19.824 -21.682 -31.320 610 3HG2 VAL 32 2HG2 VAL 32 -20.439 -20.510 -30.155 611 H ALA 33 H ALA 33 -25.426 -21.229 -30.738 612 HA ALA 33 HA ALA 33 -26.266 -20.798 -33.588 613 1HB ALA 33 3HB ALA 33 -27.793 -22.053 -31.281 614 2HB ALA 33 2HB ALA 33 -28.434 -21.797 -32.904 615 3HB ALA 33 1HB ALA 33 -27.102 -22.923 -32.650 616 H CYS 34 H CYS 34 -27.997 -19.190 -33.826 617 HA CYS 34 HA CYS 34 -27.680 -16.868 -32.155 618 1HB CYS 34 2HB CYS 34 -29.873 -17.625 -34.111 619 2HB CYS 34 1HB CYS 34 -29.479 -15.992 -33.584 620 H LEU 35 H LEU 35 -29.889 -15.813 -31.313 621 HA LEU 35 HA LEU 35 -30.822 -17.444 -29.121 622 1HB LEU 35 2HB LEU 35 -31.318 -14.749 -30.303 623 2HB LEU 35 1HB LEU 35 -32.505 -15.366 -29.158 624 HG LEU 35 HG LEU 35 -29.535 -15.311 -28.583 625 1HD1 LEU 35 3HD1 LEU 35 -30.971 -13.051 -28.941 626 2HD1 LEU 35 2HD1 LEU 35 -31.379 -13.389 -27.260 627 3HD1 LEU 35 1HD1 LEU 35 -29.692 -13.187 -27.733 628 1HD2 LEU 35 2HD2 LEU 35 -31.431 -16.773 -27.364 629 2HD2 LEU 35 1HD2 LEU 35 -30.094 -16.048 -26.471 630 3HD2 LEU 35 3HD2 LEU 35 -31.669 -15.255 -26.497 631 H SER 36 H SER 36 -32.082 -16.589 -32.289 632 HA SER 36 HA SER 36 -34.741 -17.686 -31.890 633 1HB SER 36 2HB SER 36 -33.148 -16.365 -33.924 634 2HB SER 36 1HB SER 36 -34.044 -17.708 -34.627 635 HG SER 36 HG SER 36 -35.891 -16.790 -33.415 636 H CYS 37 H CYS 37 -31.674 -18.901 -33.203 637 HA CYS 37 HA CYS 37 -32.762 -21.468 -34.034 638 1HB CYS 37 2HB CYS 37 -29.919 -20.563 -33.453 639 2HB CYS 37 1HB CYS 37 -30.380 -21.969 -34.408 640 H ARG 38 H ARG 38 -31.739 -20.103 -31.027 641 HA ARG 38 HA ARG 38 -31.071 -22.673 -29.764 642 1HB ARG 38 2HB ARG 38 -30.187 -20.212 -29.377 643 2HB ARG 38 1HB ARG 38 -31.599 -20.087 -28.328 644 1HG ARG 38 2HG ARG 38 -29.619 -20.813 -27.053 645 2HG ARG 38 1HG ARG 38 -30.849 -22.075 -27.078 646 1HD ARG 38 2HD ARG 38 -29.619 -23.436 -28.523 647 2HD ARG 38 1HD ARG 38 -28.724 -22.064 -29.208 648 HE ARG 38 HE ARG 38 -28.228 -22.357 -26.363 649 1HH1 ARG 38 2HH1 ARG 38 -27.740 -25.027 -27.916 650 2HH1 ARG 38 1HH1 ARG 38 -26.031 -24.909 -28.171 651 1HH2 ARG 38 1HH2 ARG 38 -25.877 -21.537 -27.375 652 2HH2 ARG 38 2HH2 ARG 38 -24.977 -22.933 -27.865 653 H LYS 39 H LYS 39 -33.758 -20.334 -29.750 654 HA LYS 39 HA LYS 39 -35.281 -21.699 -27.692 655 1HB LYS 39 2HB LYS 39 -37.092 -20.183 -28.561 656 2HB LYS 39 1HB LYS 39 -35.588 -19.335 -28.202 657 1HG LYS 39 2HG LYS 39 -35.263 -18.769 -30.368 658 2HG LYS 39 1HG LYS 39 -35.699 -20.379 -30.934 659 1HD LYS 39 2HD LYS 39 -37.573 -19.396 -31.728 660 2HD LYS 39 1HD LYS 39 -38.117 -19.417 -30.050 661 1HE LYS 39 2HE LYS 39 -36.986 -17.156 -29.759 662 2HE LYS 39 1HE LYS 39 -36.777 -17.128 -31.522 663 1HZ LYS 39 3HZ LYS 39 -39.374 -17.639 -30.178 664 2HZ LYS 39 2HZ LYS 39 -38.895 -16.107 -30.736 665 3HZ LYS 39 1HZ LYS 39 -39.109 -17.387 -31.833 666 H ARG 40 H ARG 40 -34.895 -22.115 -31.140 667 HA ARG 40 HA ARG 40 -37.095 -24.156 -31.114 668 1HB ARG 40 2HB ARG 40 -35.958 -22.463 -33.362 669 2HB ARG 40 1HB ARG 40 -37.283 -23.620 -33.527 670 1HG ARG 40 2HG ARG 40 -38.684 -22.349 -32.058 671 2HG ARG 40 1HG ARG 40 -37.336 -21.322 -31.571 672 1HD ARG 40 2HD ARG 40 -38.677 -20.087 -33.194 673 2HD ARG 40 1HD ARG 40 -37.166 -20.563 -33.993 674 HE ARG 40 HE ARG 40 -39.638 -22.233 -34.236 675 1HH1 ARG 40 1HH2 ARG 40 -37.290 -23.385 -35.505 676 2HH1 ARG 40 2HH2 ARG 40 -37.339 -22.752 -37.117 677 1HH2 ARG 40 2HH1 ARG 40 -39.544 -20.195 -36.329 678 2HH2 ARG 40 1HH1 ARG 40 -38.614 -20.945 -37.583 679 H HIS 41 H HIS 41 -33.870 -24.021 -30.825 680 HA HIS 41 HA HIS 41 -32.099 -25.490 -31.340 681 1HB HIS 41 2HB HIS 41 -34.534 -27.246 -31.787 682 2HB HIS 41 1HB HIS 41 -32.887 -27.839 -31.573 683 HD1 HIS 41 HD1 HIS 41 -35.319 -25.572 -29.690 684 HD2 HIS 41 HD2 HIS 41 -32.295 -28.339 -28.928 685 HE1 HIS 41 HE1 HIS 41 -35.194 -25.823 -27.173 686 H ILE 42 H ILE 42 -32.219 -23.877 -33.400 687 HA ILE 42 HA ILE 42 -32.754 -25.441 -35.881 688 HB ILE 42 HB ILE 42 -32.033 -22.522 -35.472 689 1HG1 ILE 42 2HG1 ILE 42 -34.769 -23.767 -35.890 690 2HG1 ILE 42 1HG1 ILE 42 -34.156 -23.236 -34.325 691 1HG2 ILE 42 1HG2 ILE 42 -32.796 -24.221 -37.806 692 2HG2 ILE 42 3HG2 ILE 42 -33.419 -22.572 -37.755 693 3HG2 ILE 42 2HG2 ILE 42 -31.679 -22.858 -37.727 694 1HD1 ILE 42 2HD1 ILE 42 -33.714 -21.099 -36.139 695 2HD1 ILE 42 1HD1 ILE 42 -35.367 -21.658 -36.403 696 3HD1 ILE 42 3HD1 ILE 42 -34.854 -21.150 -34.794 697 H LYS 43 H LYS 43 -31.086 -25.941 -37.307 698 HA LYS 43 HA LYS 43 -28.396 -26.123 -36.278 699 1HB LYS 43 2HB LYS 43 -29.941 -26.785 -38.713 700 2HB LYS 43 1HB LYS 43 -28.217 -26.524 -38.983 701 1HG LYS 43 2HG LYS 43 -29.240 -28.311 -36.770 702 2HG LYS 43 1HG LYS 43 -28.925 -28.918 -38.396 703 1HD LYS 43 2HD LYS 43 -26.716 -29.010 -37.984 704 2HD LYS 43 1HD LYS 43 -26.699 -27.310 -37.512 705 1HE LYS 43 2HE LYS 43 -27.292 -27.862 -35.230 706 2HE LYS 43 1HE LYS 43 -27.567 -29.561 -35.665 707 1HZ LYS 43 3HZ LYS 43 -25.220 -29.552 -36.521 708 2HZ LYS 43 2HZ LYS 43 -25.011 -28.057 -35.743 709 3HZ LYS 43 1HZ LYS 43 -25.371 -29.448 -34.836 710 H CYS 44 H CYS 44 -27.866 -23.869 -35.764 711 HA CYS 44 HA CYS 44 -27.930 -21.762 -37.722 712 1HB CYS 44 2HB CYS 44 -27.829 -21.608 -35.196 713 2HB CYS 44 1HB CYS 44 -26.131 -22.071 -35.302 714 HA PRO 45 HA PRO 45 -24.401 -23.229 -40.104 715 1HB PRO 45 2HB PRO 45 -24.060 -20.607 -41.239 716 2HB PRO 45 1HB PRO 45 -24.777 -22.035 -41.993 717 1HG PRO 45 2HG PRO 45 -26.119 -19.667 -41.120 718 2HG PRO 45 1HG PRO 45 -26.839 -21.124 -41.810 719 1HD PRO 45 2HD PRO 45 -26.941 -20.204 -39.063 720 2HD PRO 45 1HD PRO 45 -27.736 -21.627 -39.779 721 H GLY 46 H GLY 46 -23.897 -19.757 -39.388 722 1HA GLY 46 2HA GLY 46 -22.324 -19.568 -37.245 723 2HA GLY 46 1HA GLY 46 -21.218 -20.431 -38.313 724 H GLY 47 H GLY 47 -23.194 -17.479 -38.125 725 1HA GLY 47 2HA GLY 47 -21.011 -15.919 -39.281 726 2HA GLY 47 1HA GLY 47 -22.408 -16.065 -40.348 727 H ASN 48 H ASN 48 -21.800 -13.547 -39.531 728 HA ASN 48 HA ASN 48 -24.002 -12.952 -37.597 729 1HB ASN 48 2HB ASN 48 -21.110 -12.441 -37.423 730 2HB ASN 48 1HB ASN 48 -22.106 -11.022 -37.094 731 1HD2 ASN 48 2HD2 ASN 48 -23.876 -12.916 -34.410 732 2HD2 ASN 48 1HD2 ASN 48 -24.346 -12.161 -35.857 733 HA PRO 49 HA PRO 49 -25.882 -12.370 -37.945 734 1HB PRO 49 2HB PRO 49 -27.528 -12.546 -40.289 735 2HB PRO 49 1HB PRO 49 -27.790 -11.548 -38.863 736 1HG PRO 49 2HG PRO 49 -27.063 -10.673 -41.473 737 2HG PRO 49 1HG PRO 49 -27.222 -9.690 -40.017 738 1HD PRO 49 2HD PRO 49 -24.790 -10.489 -41.402 739 2HD PRO 49 1HD PRO 49 -24.964 -9.377 -40.022 740 H CYS 50 H CYS 50 -27.032 -14.560 -38.533 741 HA CYS 50 HA CYS 50 -25.033 -16.312 -39.819 742 1HB CYS 50 2HB CYS 50 -26.420 -18.078 -38.807 743 2HB CYS 50 1HB CYS 50 -26.093 -16.818 -37.621 744 H GLN 51 H GLN 51 -27.492 -18.148 -40.467 745 HA GLN 51 HA GLN 51 -28.389 -16.712 -42.934 746 1HB GLN 51 2HB GLN 51 -26.383 -18.243 -43.248 747 2HB GLN 51 1HB GLN 51 -27.445 -19.587 -42.827 748 1HG GLN 51 2HG GLN 51 -28.024 -19.659 -45.006 749 2HG GLN 51 1HG GLN 51 -28.899 -18.153 -44.724 750 1HE2 GLN 51 2HE2 GLN 51 -26.004 -16.177 -45.909 751 2HE2 GLN 51 1HE2 GLN 51 -26.996 -16.220 -44.532 752 H LYS 52 H LYS 52 -28.901 -19.457 -40.715 753 HA LYS 52 HA LYS 52 -31.379 -20.378 -41.767 754 1HB LYS 52 2HB LYS 52 -29.784 -20.564 -39.295 755 2HB LYS 52 1HB LYS 52 -31.513 -20.830 -39.057 756 1HG LYS 52 2HG LYS 52 -30.353 -22.950 -39.569 757 2HG LYS 52 1HG LYS 52 -31.502 -22.534 -40.839 758 1HD LYS 52 2HD LYS 52 -28.919 -21.334 -41.375 759 2HD LYS 52 1HD LYS 52 -28.761 -23.077 -41.161 760 1HE LYS 52 2HE LYS 52 -31.087 -22.261 -42.796 761 2HE LYS 52 1HE LYS 52 -29.505 -21.914 -43.522 762 1HZ LYS 52 1HZ LYS 52 -30.218 -24.512 -42.272 763 2HZ LYS 52 3HZ LYS 52 -30.321 -24.216 -43.939 764 3HZ LYS 52 2HZ LYS 52 -28.814 -24.150 -43.157 765 H CYS 53 H CYS 53 -30.644 -17.612 -39.737 766 HA CYS 53 HA CYS 53 -33.525 -17.136 -39.173 767 1HB CYS 53 2HB CYS 53 -30.865 -16.101 -38.298 768 2HB CYS 53 1HB CYS 53 -32.311 -15.167 -37.950 769 H VAL 54 H VAL 54 -30.732 -15.685 -40.825 770 HA VAL 54 HA VAL 54 -32.022 -13.283 -41.674 771 HB VAL 54 HB VAL 54 -29.903 -14.802 -43.226 772 1HG1 VAL 54 2HG1 VAL 54 -31.103 -12.324 -43.589 773 2HG1 VAL 54 1HG1 VAL 54 -29.591 -11.926 -42.766 774 3HG1 VAL 54 3HG1 VAL 54 -29.561 -12.831 -44.282 775 1HG2 VAL 54 1HG2 VAL 54 -29.625 -13.257 -40.639 776 2HG2 VAL 54 3HG2 VAL 54 -29.045 -14.885 -40.995 777 3HG2 VAL 54 2HG2 VAL 54 -28.274 -13.493 -41.747 778 H THR 55 H THR 55 -31.927 -16.556 -42.880 779 HA THR 55 HA THR 55 -33.197 -16.011 -45.429 780 HB THR 55 HB THR 55 -31.686 -17.923 -44.856 781 HG1 THR 55 HG1 THR 55 -34.288 -18.733 -45.623 782 1HG2 THR 55 3HG2 THR 55 -32.807 -18.211 -42.577 783 2HG2 THR 55 2HG2 THR 55 -34.054 -19.119 -43.429 784 3HG2 THR 55 1HG2 THR 55 -32.383 -19.686 -43.442 785 H SER 56 H SER 56 -34.287 -17.079 -42.215 786 HA SER 56 HA SER 56 -37.063 -17.422 -43.132 787 1HB SER 56 2HB SER 56 -35.547 -17.640 -40.530 788 2HB SER 56 1HB SER 56 -37.305 -17.733 -40.559 789 HG SER 56 HG SER 56 -36.565 -19.797 -40.801 790 H ASN 57 H ASN 57 -36.128 -15.688 -40.202 791 HA ASN 57 HA ASN 57 -36.511 -13.034 -41.008 792 1HB ASN 57 2HB ASN 57 -38.918 -12.768 -40.161 793 2HB ASN 57 1HB ASN 57 -38.726 -13.568 -41.712 794 1HD2 ASN 57 2HD2 ASN 57 -40.377 -16.456 -40.579 795 2HD2 ASN 57 1HD2 ASN 57 -39.951 -15.451 -41.879 796 H ALA 58 H ALA 58 -35.038 -14.525 -39.090 797 HA ALA 58 HA ALA 58 -36.093 -13.405 -36.511 798 1HB ALA 58 2HB ALA 58 -35.313 -16.017 -37.321 799 2HB ALA 58 1HB ALA 58 -34.102 -15.451 -36.170 800 3HB ALA 58 3HB ALA 58 -35.804 -15.493 -35.710 801 H ILE 59 H ILE 59 -34.452 -12.581 -35.023 802 HA ILE 59 HA ILE 59 -32.310 -11.126 -36.362 803 HB ILE 59 HB ILE 59 -32.957 -11.449 -33.415 804 1HG1 ILE 59 2HG1 ILE 59 -33.993 -9.413 -35.417 805 2HG1 ILE 59 1HG1 ILE 59 -34.945 -10.719 -34.707 806 1HG2 ILE 59 1HG2 ILE 59 -30.864 -10.129 -34.751 807 2HG2 ILE 59 3HG2 ILE 59 -32.001 -8.859 -34.296 808 3HG2 ILE 59 2HG2 ILE 59 -31.333 -9.929 -33.062 809 1HD1 ILE 59 1HD1 ILE 59 -33.558 -9.126 -32.684 810 2HD1 ILE 59 3HD1 ILE 59 -34.667 -8.160 -33.657 811 3HD1 ILE 59 2HD1 ILE 59 -35.261 -9.572 -32.785 812 H CYS 60 H CYS 60 -30.143 -11.618 -36.250 813 HA CYS 60 HA CYS 60 -29.418 -14.245 -35.022 814 1HB CYS 60 2HB CYS 60 -27.843 -12.734 -37.114 815 2HB CYS 60 1HB CYS 60 -27.853 -14.460 -36.788 816 H GLU 61 H GLU 61 -28.352 -13.968 -33.096 817 HA GLU 61 HA GLU 61 -26.093 -12.053 -32.976 818 1HB GLU 61 2HB GLU 61 -28.744 -11.627 -31.852 819 2HB GLU 61 1HB GLU 61 -27.510 -11.613 -30.592 820 1HG GLU 61 2HG GLU 61 -26.718 -10.150 -33.013 821 2HG GLU 61 1HG GLU 61 -28.136 -9.470 -32.213 822 H TYR 62 H TYR 62 -24.478 -12.844 -31.635 823 HA TYR 62 HA TYR 62 -25.094 -15.356 -30.125 824 1HB TYR 62 2HB TYR 62 -22.515 -14.214 -31.247 825 2HB TYR 62 1HB TYR 62 -22.667 -15.776 -30.443 826 HD1 TYR 62 HD1 TYR 62 -25.171 -16.865 -31.453 827 HD2 TYR 62 HD2 TYR 62 -22.129 -14.620 -33.536 828 HE1 TYR 62 HE1 TYR 62 -25.877 -17.905 -33.604 829 HE2 TYR 62 HE2 TYR 62 -22.835 -15.661 -35.688 830 HH TYR 62 HH TYR 62 -24.343 -18.277 -36.061 831 H LEU 63 H LEU 63 -22.530 -12.873 -29.841 832 HA LEU 63 HA LEU 63 -23.412 -11.916 -27.254 833 1HB LEU 63 2HB LEU 63 -22.629 -14.377 -26.967 834 2HB LEU 63 1HB LEU 63 -21.001 -13.731 -27.186 835 HG LEU 63 HG LEU 63 -22.134 -11.978 -25.361 836 1HD1 LEU 63 2HD1 LEU 63 -23.870 -14.076 -25.335 837 2HD1 LEU 63 1HD1 LEU 63 -22.706 -14.607 -24.120 838 3HD1 LEU 63 3HD1 LEU 63 -23.540 -13.066 -23.927 839 1HD2 LEU 63 2HD2 LEU 63 -19.841 -12.998 -25.385 840 2HD2 LEU 63 1HD2 LEU 63 -20.583 -13.000 -23.786 841 3HD2 LEU 63 3HD2 LEU 63 -20.538 -14.483 -24.740 842 H GLU 64 H GLU 64 -22.268 -10.050 -26.748 843 HA GLU 64 HA GLU 64 -19.538 -9.578 -27.658 844 1HB GLU 64 2HB GLU 64 -21.661 -9.157 -29.460 845 2HB GLU 64 1HB GLU 64 -21.201 -7.548 -28.904 846 1HG GLU 64 2HG GLU 64 -18.754 -8.395 -29.320 847 2HG GLU 64 1HG GLU 64 -19.541 -9.591 -30.352 848 HA PRO 65 HA PRO 65 -21.187 -7.144 -24.001 849 1HB PRO 65 2HB PRO 65 -18.629 -7.610 -22.772 850 2HB PRO 65 1HB PRO 65 -20.202 -8.246 -22.284 851 1HG PRO 65 2HG PRO 65 -18.029 -9.674 -23.491 852 2HG PRO 65 1HG PRO 65 -19.610 -10.301 -23.015 853 1HD PRO 65 2HD PRO 65 -18.630 -9.850 -25.702 854 2HD PRO 65 1HD PRO 65 -20.222 -10.477 -25.206 855 H SER 66 H SER 66 -20.566 -4.981 -23.516 856 HA SER 66 HA SER 66 -18.062 -3.951 -24.779 857 1HB SER 66 2HB SER 66 -19.588 -3.436 -26.468 858 2HB SER 66 1HB SER 66 -20.929 -3.263 -25.339 859 HG SER 66 HG SER 66 -20.406 -1.216 -25.858 860 H LYS 67 H LYS 67 -17.492 -3.920 -22.398 861 HA LYS 67 HA LYS 67 -18.254 -1.308 -21.222 862 1HB LYS 67 2HB LYS 67 -19.198 -3.961 -20.362 863 2HB LYS 67 1HB LYS 67 -18.506 -3.000 -19.055 864 1HG LYS 67 2HG LYS 67 -19.969 -1.074 -19.884 865 2HG LYS 67 1HG LYS 67 -20.803 -2.268 -20.880 866 1HD LYS 67 2HD LYS 67 -21.112 -3.623 -18.725 867 2HD LYS 67 1HD LYS 67 -20.617 -2.165 -17.866 868 1HE LYS 67 2HE LYS 67 -22.575 -1.414 -19.823 869 2HE LYS 67 1HE LYS 67 -23.212 -2.775 -18.878 870 1HZ LYS 67 3HZ LYS 67 -22.453 -1.620 -16.855 871 2HZ LYS 67 2HZ LYS 67 -22.004 -0.281 -17.801 872 3HZ LYS 67 1HZ LYS 67 -23.637 -0.741 -17.692 873 H LYS 68 H LYS 68 -16.423 -4.351 -20.790 874 HA LYS 68 HA LYS 68 -14.443 -3.081 -19.048 875 1HB LYS 68 2HB LYS 68 -15.081 -5.418 -18.786 876 2HB LYS 68 1HB LYS 68 -14.616 -5.763 -20.453 877 1HG LYS 68 2HG LYS 68 -12.299 -5.362 -19.981 878 2HG LYS 68 1HG LYS 68 -12.674 -4.682 -18.398 879 1HD LYS 68 2HD LYS 68 -12.425 -6.740 -17.521 880 2HD LYS 68 1HD LYS 68 -13.854 -7.243 -18.425 881 1HE LYS 68 2HE LYS 68 -11.430 -7.116 -20.089 882 2HE LYS 68 1HE LYS 68 -11.333 -8.311 -18.781 883 1HZ LYS 68 3HZ LYS 68 -13.702 -8.011 -20.544 884 2HZ LYS 68 2HZ LYS 68 -12.454 -9.124 -20.849 885 3HZ LYS 68 1HZ LYS 68 -13.390 -9.258 -19.437 886 H ILE 69 H ILE 69 -12.618 -2.028 -19.755 887 HA ILE 69 HA ILE 69 -12.093 -1.832 -22.639 888 HB ILE 69 HB ILE 69 -11.978 0.042 -20.953 889 1HG1 ILE 69 2HG1 ILE 69 -9.953 1.049 -21.916 890 2HG1 ILE 69 1HG1 ILE 69 -9.427 -0.541 -22.472 891 1HG2 ILE 69 3HG2 ILE 69 -10.881 -1.254 -19.148 892 2HG2 ILE 69 2HG2 ILE 69 -9.417 -1.334 -20.126 893 3HG2 ILE 69 1HG2 ILE 69 -9.999 0.222 -19.535 894 1HD1 ILE 69 3HD1 ILE 69 -12.168 0.195 -23.283 895 2HD1 ILE 69 2HD1 ILE 69 -10.901 1.204 -23.981 896 3HD1 ILE 69 1HD1 ILE 69 -10.874 -0.542 -24.228 897 H VAL 70 H VAL 70 -10.091 -2.462 -23.625 898 HA VAL 70 HA VAL 70 -8.200 -4.107 -22.053 899 HB VAL 70 HB VAL 70 -9.449 -5.264 -24.552 900 1HG1 VAL 70 2HG1 VAL 70 -7.263 -6.076 -23.475 901 2HG1 VAL 70 1HG1 VAL 70 -8.266 -6.647 -22.141 902 3HG1 VAL 70 3HG1 VAL 70 -8.503 -7.299 -23.765 903 1HG2 VAL 70 2HG2 VAL 70 -10.406 -5.601 -21.687 904 2HG2 VAL 70 1HG2 VAL 70 -11.331 -4.926 -23.028 905 3HG2 VAL 70 3HG2 VAL 70 -10.898 -6.637 -23.026 906 H VAL 71 H VAL 71 -6.514 -2.690 -22.625 907 HA VAL 71 HA VAL 71 -5.499 -2.928 -25.353 908 HB VAL 71 HB VAL 71 -5.502 -0.263 -25.434 909 1HG1 VAL 71 2HG1 VAL 71 -6.798 -2.231 -26.773 910 2HG1 VAL 71 1HG1 VAL 71 -8.171 -1.365 -26.085 911 3HG1 VAL 71 3HG1 VAL 71 -7.018 -0.514 -27.113 912 1HG2 VAL 71 1HG2 VAL 71 -6.914 -0.562 -23.110 913 2HG2 VAL 71 3HG2 VAL 71 -7.068 0.831 -24.182 914 3HG2 VAL 71 2HG2 VAL 71 -8.224 -0.497 -24.289 915 H SER 72 H SER 72 -4.996 -0.182 -23.119 916 HA SER 72 HA SER 72 -2.379 -1.327 -22.295 917 1HB SER 72 2HB SER 72 -2.048 -0.230 -24.473 918 2HB SER 72 1HB SER 72 -2.769 1.251 -23.844 919 HG SER 72 HG SER 72 -0.481 1.290 -23.745 920 H THR 73 H THR 73 -1.919 -0.721 -20.208 921 HA THR 73 HA THR 73 -3.699 0.942 -18.659 922 HB THR 73 HB THR 73 -2.273 -0.922 -17.806 923 HG1 THR 73 HG1 THR 73 -1.760 0.119 -15.930 924 1HG2 THR 73 3HG2 THR 73 -0.285 -0.457 -19.194 925 2HG2 THR 73 2HG2 THR 73 -0.010 1.035 -18.294 926 3HG2 THR 73 1HG2 THR 73 0.135 -0.523 -17.483 927 H LYS 74 H LYS 74 -0.593 1.533 -20.288 928 HA LYS 74 HA LYS 74 0.041 4.089 -19.263 929 1HB LYS 74 2HB LYS 74 1.331 2.608 -20.875 930 2HB LYS 74 1HB LYS 74 0.247 3.177 -22.143 931 1HG LYS 74 2HG LYS 74 1.182 5.460 -20.708 932 2HG LYS 74 1HG LYS 74 2.580 4.466 -21.115 933 1HD LYS 74 2HD LYS 74 0.460 5.089 -23.167 934 2HD LYS 74 1HD LYS 74 1.800 6.198 -22.870 935 1HE LYS 74 2HE LYS 74 3.428 4.526 -23.481 936 2HE LYS 74 1HE LYS 74 2.186 3.258 -23.527 937 1HZ LYS 74 2HZ LYS 74 1.021 4.582 -25.232 938 2HZ LYS 74 1HZ LYS 74 2.331 5.665 -25.264 939 3HZ LYS 74 3HZ LYS 74 2.550 4.055 -25.749 940 H TYR 75 H TYR 75 -2.490 3.051 -21.420 941 HA TYR 75 HA TYR 75 -3.229 5.548 -22.613 942 1HB TYR 75 2HB TYR 75 -3.913 3.027 -22.985 943 2HB TYR 75 1HB TYR 75 -5.151 3.377 -21.785 944 HD1 TYR 75 HD2 TYR 75 -5.502 6.381 -22.637 945 HD2 TYR 75 HD1 TYR 75 -5.423 2.660 -24.829 946 HE1 TYR 75 HE2 TYR 75 -6.927 7.392 -24.409 947 HE2 TYR 75 HE1 TYR 75 -6.850 3.674 -26.596 948 HH TYR 75 HH TYR 75 -8.227 6.920 -26.227 949 H LEU 76 H LEU 76 -4.610 3.811 -19.805 950 HA LEU 76 HA LEU 76 -6.383 5.818 -18.907 951 1HB LEU 76 2HB LEU 76 -4.909 3.482 -17.776 952 2HB LEU 76 1HB LEU 76 -5.657 4.581 -16.623 953 HG LEU 76 HG LEU 76 -7.065 3.196 -18.924 954 1HD1 LEU 76 3HD1 LEU 76 -6.346 1.953 -16.709 955 2HD1 LEU 76 2HD1 LEU 76 -7.709 2.832 -16.016 956 3HD1 LEU 76 1HD1 LEU 76 -7.967 1.723 -17.364 957 1HD2 LEU 76 3HD2 LEU 76 -7.937 5.249 -16.893 958 2HD2 LEU 76 2HD2 LEU 76 -8.210 5.240 -18.636 959 3HD2 LEU 76 1HD2 LEU 76 -9.101 4.125 -17.598 960 H GLN 77 H GLN 77 -3.013 5.185 -17.863 961 HA GLN 77 HA GLN 77 -2.770 7.381 -16.064 962 1HB GLN 77 2HB GLN 77 -1.195 5.294 -17.200 963 2HB GLN 77 1HB GLN 77 -0.292 6.796 -17.392 964 1HG GLN 77 2HG GLN 77 -1.611 6.305 -14.758 965 2HG GLN 77 1HG GLN 77 -0.162 5.371 -15.134 966 1HE2 GLN 77 2HE2 GLN 77 0.141 9.399 -14.480 967 2HE2 GLN 77 1HE2 GLN 77 -1.386 8.680 -14.663 968 H GLN 78 H GLN 78 -1.662 7.150 -19.480 969 HA GLN 78 HA GLN 78 -0.656 9.734 -19.835 970 1HB GLN 78 2HB GLN 78 -0.733 7.770 -21.439 971 2HB GLN 78 1HB GLN 78 -2.401 8.219 -21.798 972 1HG GLN 78 2HG GLN 78 -1.792 10.158 -22.901 973 2HG GLN 78 1HG GLN 78 -0.311 10.350 -21.961 974 1HE2 GLN 78 2HE2 GLN 78 0.933 9.265 -25.225 975 2HE2 GLN 78 1HE2 GLN 78 0.329 10.668 -24.484 976 H LEU 79 H LEU 79 -4.023 8.690 -19.716 977 HA LEU 79 HA LEU 79 -5.119 11.273 -20.557 978 1HB LEU 79 2HB LEU 79 -5.933 8.569 -20.133 979 2HB LEU 79 1HB LEU 79 -6.957 9.599 -19.135 980 HG LEU 79 HG LEU 79 -7.524 10.975 -21.080 981 1HD1 LEU 79 1HD1 LEU 79 -5.188 9.688 -22.167 982 2HD1 LEU 79 3HD1 LEU 79 -6.561 9.391 -23.232 983 3HD1 LEU 79 2HD1 LEU 79 -6.103 11.045 -22.826 984 1HD2 LEU 79 1HD2 LEU 79 -8.136 8.167 -20.788 985 2HD2 LEU 79 3HD2 LEU 79 -9.180 9.471 -21.351 986 3HD2 LEU 79 2HD2 LEU 79 -8.155 8.604 -22.495 987 H GLN 80 H GLN 80 -4.555 9.546 -17.524 988 HA GLN 80 HA GLN 80 -5.948 11.386 -15.806 989 1HB GLN 80 2HB GLN 80 -4.341 8.985 -15.711 990 2HB GLN 80 1HB GLN 80 -3.854 10.089 -14.427 991 1HG GLN 80 2HG GLN 80 -5.845 9.888 -13.327 992 2HG GLN 80 1HG GLN 80 -6.775 9.825 -14.823 993 1HE2 GLN 80 2HE2 GLN 80 -5.882 6.224 -15.203 994 2HE2 GLN 80 1HE2 GLN 80 -5.648 7.628 -16.126 995 H LYS 81 H LYS 81 -2.444 10.961 -16.509 996 HA LYS 81 HA LYS 81 -1.507 13.197 -15.023 997 1HB LYS 81 2HB LYS 81 -0.445 11.216 -16.596 998 2HB LYS 81 1HB LYS 81 -0.219 12.626 -17.633 999 1HG LYS 81 2HG LYS 81 1.748 12.508 -16.291 1000 2HG LYS 81 1HG LYS 81 0.771 13.792 -15.578 1001 1HD LYS 81 2HD LYS 81 -0.215 11.807 -14.134 1002 2HD LYS 81 1HD LYS 81 1.315 11.031 -14.547 1003 1HE LYS 81 2HE LYS 81 2.341 13.362 -13.805 1004 2HE LYS 81 1HE LYS 81 0.828 13.481 -12.885 1005 1HZ LYS 81 2HZ LYS 81 1.298 11.096 -12.204 1006 2HZ LYS 81 1HZ LYS 81 2.882 11.353 -12.764 1007 3HZ LYS 81 3HZ LYS 81 2.270 12.294 -11.493 1008 H ASP 82 H ASP 82 -2.778 12.946 -18.331 1009 HA ASP 82 HA ASP 82 -2.321 15.666 -19.119 1010 1HB ASP 82 2HB ASP 82 -3.855 13.295 -19.936 1011 2HB ASP 82 1HB ASP 82 -4.677 14.803 -20.325 1012 H LEU 83 H LEU 83 -4.930 14.008 -17.384 1013 HA LEU 83 HA LEU 83 -6.727 16.223 -17.116 1014 1HB LEU 83 2HB LEU 83 -6.462 13.515 -16.292 1015 2HB LEU 83 1HB LEU 83 -6.714 14.464 -14.826 1016 HG LEU 83 HG LEU 83 -8.434 15.161 -17.146 1017 1HD1 LEU 83 2HD1 LEU 83 -8.179 12.440 -16.216 1018 2HD1 LEU 83 1HD1 LEU 83 -9.770 13.063 -15.781 1019 3HD1 LEU 83 3HD1 LEU 83 -9.246 13.081 -17.465 1020 1HD2 LEU 83 2HD2 LEU 83 -8.506 16.189 -14.826 1021 2HD2 LEU 83 1HD2 LEU 83 -10.046 15.545 -15.390 1022 3HD2 LEU 83 3HD2 LEU 83 -9.082 14.633 -14.230 1023 H ASN 84 H ASN 84 -4.089 14.989 -15.038 1024 HA ASN 84 HA ASN 84 -4.305 16.937 -12.959 1025 1HB ASN 84 2HB ASN 84 -2.834 14.746 -13.422 1026 2HB ASN 84 1HB ASN 84 -1.641 15.953 -13.893 1027 1HD2 ASN 84 2HD2 ASN 84 -0.827 15.993 -10.424 1028 2HD2 ASN 84 1HD2 ASN 84 -0.336 15.460 -11.960 1029 H ASP 85 H ASP 85 -2.915 16.990 -16.183 1030 HA ASP 85 HA ASP 85 -1.408 19.442 -15.921 1031 1HB ASP 85 2HB ASP 85 -1.800 17.445 -17.797 1032 2HB ASP 85 1HB ASP 85 -2.629 18.816 -18.534 1033 H LYS 86 H LYS 86 -4.775 18.694 -16.138 1034 HA LYS 86 HA LYS 86 -5.693 21.262 -17.205 1035 1HB LYS 86 2HB LYS 86 -6.906 19.029 -17.233 1036 2HB LYS 86 1HB LYS 86 -7.126 19.200 -15.500 1037 1HG LYS 86 2HG LYS 86 -7.940 21.506 -17.183 1038 2HG LYS 86 1HG LYS 86 -8.955 20.070 -17.262 1039 1HD LYS 86 2HD LYS 86 -8.134 21.535 -14.751 1040 2HD LYS 86 1HD LYS 86 -9.717 21.629 -15.523 1041 1HE LYS 86 2HE LYS 86 -9.774 19.042 -15.269 1042 2HE LYS 86 1HE LYS 86 -8.466 19.280 -14.091 1043 1HZ LYS 86 2HZ LYS 86 -10.958 20.880 -14.034 1044 2HZ LYS 86 1HZ LYS 86 -10.811 19.415 -13.187 1045 3HZ LYS 86 3HZ LYS 86 -9.789 20.714 -12.813 1046 H THR 87 H THR 87 -5.140 19.754 -14.103 1047 HA THR 87 HA THR 87 -6.206 21.939 -12.533 1048 HB THR 87 HB THR 87 -4.690 19.363 -12.158 1049 HG1 THR 87 HG1 THR 87 -6.596 18.808 -11.542 1050 1HG2 THR 87 3HG2 THR 87 -4.960 21.510 -10.038 1051 2HG2 THR 87 2HG2 THR 87 -4.605 19.819 -9.683 1052 3HG2 THR 87 1HG2 THR 87 -3.471 20.777 -10.635 1053 H GLU 88 H GLU 88 -2.944 20.799 -13.456 1054 HA GLU 88 HA GLU 88 -1.471 22.907 -12.174 1055 1HB GLU 88 2HB GLU 88 -0.938 21.138 -14.586 1056 2HB GLU 88 1HB GLU 88 0.289 22.155 -13.829 1057 1HG GLU 88 2HG GLU 88 -0.833 20.788 -11.684 1058 2HG GLU 88 1HG GLU 88 -0.769 19.572 -12.960 1059 H GLU 89 H GLU 89 -3.039 22.570 -15.323 1060 HA GLU 89 HA GLU 89 -2.004 25.038 -16.457 1061 1HB GLU 89 2HB GLU 89 -4.236 23.092 -17.000 1062 2HB GLU 89 1HB GLU 89 -4.184 24.618 -17.878 1063 1HG GLU 89 2HG GLU 89 -1.645 23.067 -17.714 1064 2HG GLU 89 1HG GLU 89 -2.908 22.428 -18.765 1065 H ASN 90 H ASN 90 -5.155 24.108 -15.056 1066 HA ASN 90 HA ASN 90 -6.448 26.606 -15.014 1067 1HB ASN 90 2HB ASN 90 -6.468 24.044 -13.506 1068 2HB ASN 90 1HB ASN 90 -7.246 25.396 -12.694 1069 1HD2 ASN 90 2HD2 ASN 90 -8.989 23.724 -15.973 1070 2HD2 ASN 90 1HD2 ASN 90 -7.458 23.214 -15.448 1071 H ASN 91 H ASN 91 -3.870 25.324 -13.030 1072 HA ASN 91 HA ASN 91 -3.974 27.411 -10.980 1073 1HB ASN 91 2HB ASN 91 -2.361 25.016 -11.731 1074 2HB ASN 91 1HB ASN 91 -1.559 26.218 -10.723 1075 1HD2 ASN 91 2HD2 ASN 91 -4.680 24.052 -9.188 1076 2HD2 ASN 91 1HD2 ASN 91 -4.402 24.061 -10.862 1077 H ARG 92 H ARG 92 -2.088 26.733 -13.911 1078 HA ARG 92 HA ARG 92 -0.312 29.033 -13.551 1079 1HB ARG 92 2HB ARG 92 0.168 26.828 -14.731 1080 2HB ARG 92 1HB ARG 92 -0.883 27.396 -16.029 1081 1HG ARG 92 2HG ARG 92 0.553 29.168 -16.592 1082 2HG ARG 92 1HG ARG 92 1.384 29.110 -15.037 1083 1HD ARG 92 2HD ARG 92 2.396 26.943 -15.633 1084 2HD ARG 92 1HD ARG 92 1.546 26.970 -17.191 1085 HE ARG 92 HE ARG 92 2.828 29.409 -17.143 1086 1HH1 ARG 92 1HH2 ARG 92 3.533 26.590 -18.502 1087 2HH1 ARG 92 2HH2 ARG 92 5.250 26.625 -18.277 1088 1HH2 ARG 92 2HH1 ARG 92 5.169 29.277 -16.043 1089 2HH2 ARG 92 1HH1 ARG 92 6.177 28.147 -16.885 1090 H LEU 93 H LEU 93 -2.775 28.194 -16.024 1091 HA LEU 93 HA LEU 93 -2.965 30.618 -17.386 1092 1HB LEU 93 2HB LEU 93 -4.352 28.210 -17.191 1093 2HB LEU 93 1HB LEU 93 -5.568 29.419 -16.775 1094 HG LEU 93 HG LEU 93 -3.828 29.440 -19.260 1095 1HD1 LEU 93 3HD1 LEU 93 -5.808 27.771 -19.017 1096 2HD1 LEU 93 2HD1 LEU 93 -6.830 29.202 -19.146 1097 3HD1 LEU 93 1HD1 LEU 93 -5.739 28.776 -20.465 1098 1HD2 LEU 93 1HD2 LEU 93 -4.480 31.688 -18.229 1099 2HD2 LEU 93 3HD2 LEU 93 -5.000 31.428 -19.895 1100 3HD2 LEU 93 2HD2 LEU 93 -6.154 31.252 -18.572 1101 H LYS 94 H LYS 94 -4.448 29.740 -14.279 1102 HA LYS 94 HA LYS 94 -5.967 32.179 -13.953 1103 1HB LYS 94 2HB LYS 94 -6.445 30.095 -12.749 1104 2HB LYS 94 1HB LYS 94 -4.847 30.134 -12.001 1105 1HG LYS 94 2HG LYS 94 -5.427 32.274 -10.897 1106 2HG LYS 94 1HG LYS 94 -7.035 32.199 -11.618 1107 1HD LYS 94 2HD LYS 94 -7.390 29.999 -10.476 1108 2HD LYS 94 1HD LYS 94 -5.838 30.212 -9.666 1109 1HE LYS 94 2HE LYS 94 -6.633 32.249 -8.573 1110 2HE LYS 94 1HE LYS 94 -8.166 32.156 -9.462 1111 1HZ LYS 94 3HZ LYS 94 -8.438 29.885 -8.518 1112 2HZ LYS 94 2HZ LYS 94 -7.093 30.179 -7.523 1113 3HZ LYS 94 1HZ LYS 94 -8.497 31.119 -7.355 1114 H ALA 95 H ALA 95 -2.702 31.121 -13.042 1115 HA ALA 95 HA ALA 95 -2.130 33.726 -11.744 1116 1HB ALA 95 3HB ALA 95 -1.450 31.432 -10.876 1117 2HB ALA 95 2HB ALA 95 -0.322 31.344 -12.228 1118 3HB ALA 95 1HB ALA 95 -0.135 32.600 -11.004 1119 H LEU 96 H LEU 96 -2.245 32.739 -14.891 1120 HA LEU 96 HA LEU 96 0.306 34.017 -15.731 1121 1HB LEU 96 2HB LEU 96 -1.219 31.852 -16.599 1122 2HB LEU 96 1HB LEU 96 -1.567 33.104 -17.790 1123 HG LEU 96 HG LEU 96 1.238 32.357 -16.924 1124 1HD1 LEU 96 2HD1 LEU 96 -0.088 30.512 -18.104 1125 2HD1 LEU 96 1HD1 LEU 96 -0.126 31.577 -19.509 1126 3HD1 LEU 96 3HD1 LEU 96 1.418 31.001 -18.880 1127 1HD2 LEU 96 2HD2 LEU 96 0.837 34.645 -17.887 1128 2HD2 LEU 96 1HD2 LEU 96 1.904 33.647 -18.875 1129 3HD2 LEU 96 3HD2 LEU 96 0.219 33.874 -19.347 1130 H LEU 97 H LEU 97 -3.159 34.559 -15.631 1131 HA LEU 97 HA LEU 97 -2.878 37.017 -17.291 1132 1HB LEU 97 2HB LEU 97 -5.324 35.594 -16.193 1133 2HB LEU 97 1HB LEU 97 -5.317 36.865 -17.413 1134 HG LEU 97 HG LEU 97 -4.064 34.118 -17.695 1135 1HD1 LEU 97 2HD1 LEU 97 -6.453 35.411 -19.050 1136 2HD1 LEU 97 1HD1 LEU 97 -5.797 33.821 -19.439 1137 3HD1 LEU 97 3HD1 LEU 97 -6.521 34.113 -17.858 1138 1HD2 LEU 97 2HD2 LEU 97 -4.211 36.468 -19.613 1139 2HD2 LEU 97 1HD2 LEU 97 -2.748 35.814 -18.876 1140 3HD2 LEU 97 3HD2 LEU 97 -3.652 34.852 -20.046 1141 H LEU 98 H LEU 98 -3.734 35.895 -14.045 1142 HA LEU 98 HA LEU 98 -4.615 38.503 -13.091 1143 1HB LEU 98 2HB LEU 98 -3.640 36.033 -11.621 1144 2HB LEU 98 1HB LEU 98 -4.607 37.337 -10.932 1145 HG LEU 98 HG LEU 98 -5.471 35.578 -13.242 1146 1HD1 LEU 98 1HD1 LEU 98 -5.381 34.987 -10.492 1147 2HD1 LEU 98 3HD1 LEU 98 -7.062 35.413 -10.821 1148 3HD1 LEU 98 2HD1 LEU 98 -6.286 34.116 -11.731 1149 1HD2 LEU 98 3HD2 LEU 98 -6.437 37.859 -13.256 1150 2HD2 LEU 98 2HD2 LEU 98 -7.664 36.649 -12.883 1151 3HD2 LEU 98 1HD2 LEU 98 -6.978 37.635 -11.593 1152 H GLU 99 H GLU 99 -1.559 36.923 -13.492 1153 HA GLU 99 HA GLU 99 -0.048 38.401 -11.514 1154 1HB GLU 99 2HB GLU 99 0.490 36.207 -12.720 1155 2HB GLU 99 1HB GLU 99 0.946 37.195 -14.107 1156 1HG GLU 99 2HG GLU 99 2.594 38.393 -12.714 1157 2HG GLU 99 1HG GLU 99 2.139 37.406 -11.325 1158 H ARG 100 HN ARG 100 -0.713 38.898 -14.975 1159 HA ARG 100 HA ARG 100 0.493 41.636 -14.722 1160 1HB ARG 100 2HB ARG 100 0.718 39.437 -16.703 1161 2HB ARG 100 1HB ARG 100 0.586 41.060 -17.381 1162 1HG ARG 100 2HG ARG 100 2.450 41.790 -15.883 1163 2HG ARG 100 1HG ARG 100 2.627 40.120 -15.345 1164 1HD ARG 100 2HD ARG 100 3.526 39.420 -17.364 1165 2HD ARG 100 1HD ARG 100 2.656 40.655 -18.296 1166 HE ARG 100 HE ARG 100 4.822 41.474 -16.407 1167 1HH1 ARG 100 1HH2 ARG 100 4.530 43.832 -17.447 1168 2HH1 ARG 100 2HH2 ARG 100 5.129 43.858 -19.072 1169 1HH2 ARG 100 1HH1 ARG 100 5.111 40.408 -19.419 1170 2HH2 ARG 100 2HH1 ARG 100 5.456 41.922 -20.189 No H/Q in entry = 1170 Start of MODEL 12 1 1H MET 30 2H MET 30 26.242 -14.578 -8.258 2 2H MET 30 1H MET 30 25.617 -16.089 -7.798 3 3H MET 30 3H MET 30 25.085 -15.353 -9.231 4 HA MET 30 HA MET 30 23.372 -15.027 -7.623 5 1HB MET 30 2HB MET 30 25.805 -14.753 -5.983 6 2HB MET 30 1HB MET 30 24.532 -13.608 -5.559 7 1HG MET 30 2HG MET 30 23.088 -15.910 -5.868 8 2HG MET 30 1HG MET 30 24.609 -16.541 -5.235 9 1HE MET 30 1HE MET 30 23.999 -17.399 -3.150 10 2HE MET 30 3HE MET 30 25.383 -16.353 -2.802 11 3HE MET 30 2HE MET 30 24.011 -16.403 -1.698 12 H SER 31 H SER 31 22.716 -13.514 -9.236 13 HA SER 31 HA SER 31 23.263 -10.688 -8.576 14 1HB SER 31 2HB SER 31 23.785 -11.670 -11.380 15 2HB SER 31 1HB SER 31 24.318 -10.169 -10.628 16 HG SER 31 HG SER 31 26.042 -11.210 -10.064 17 H VAL 32 H VAL 32 22.287 -9.806 -11.200 18 HA VAL 32 HA VAL 32 19.404 -10.514 -10.845 19 HB VAL 32 HB VAL 32 20.846 -8.187 -12.159 20 1HG1 VAL 32 3HG1 VAL 32 17.914 -8.865 -11.865 21 2HG1 VAL 32 2HG1 VAL 32 18.469 -7.208 -12.107 22 3HG1 VAL 32 1HG1 VAL 32 18.792 -8.434 -13.333 23 1HG2 VAL 32 1HG2 VAL 32 20.760 -8.509 -9.567 24 2HG2 VAL 32 3HG2 VAL 32 20.304 -6.942 -10.237 25 3HG2 VAL 32 2HG2 VAL 32 19.057 -8.085 -9.735 26 H ALA 33 H ALA 33 18.456 -11.759 -12.413 27 HA ALA 33 HA ALA 33 19.325 -11.552 -15.226 28 1HB ALA 33 2HB ALA 33 20.114 -13.683 -13.345 29 2HB ALA 33 1HB ALA 33 19.448 -14.277 -14.867 30 3HB ALA 33 3HB ALA 33 20.852 -13.209 -14.875 31 H CYS 34 H CYS 34 17.807 -12.681 -16.664 32 HA CYS 34 HA CYS 34 15.071 -12.515 -15.894 33 1HB CYS 34 2HB CYS 34 16.382 -14.165 -18.079 34 2HB CYS 34 1HB CYS 34 14.703 -13.635 -18.052 35 H LEU 35 H LEU 35 13.629 -14.644 -16.266 36 HA LEU 35 HA LEU 35 14.225 -16.442 -14.086 37 1HB LEU 35 2HB LEU 35 12.137 -15.960 -16.120 38 2HB LEU 35 1HB LEU 35 12.242 -17.626 -15.556 39 HG LEU 35 HG LEU 35 12.367 -16.463 -13.176 40 1HD1 LEU 35 3HD1 LEU 35 11.788 -14.283 -14.971 41 2HD1 LEU 35 2HD1 LEU 35 10.424 -14.526 -13.881 42 3HD1 LEU 35 1HD1 LEU 35 12.037 -14.237 -13.226 43 1HD2 LEU 35 3HD2 LEU 35 10.584 -18.009 -14.141 44 2HD2 LEU 35 2HD2 LEU 35 10.008 -16.852 -12.941 45 3HD2 LEU 35 1HD2 LEU 35 9.726 -16.557 -14.657 46 H SER 36 H SER 36 14.567 -16.589 -17.581 47 HA SER 36 HA SER 36 15.288 -19.399 -17.709 48 1HB SER 36 2HB SER 36 15.007 -17.064 -19.448 49 2HB SER 36 1HB SER 36 16.378 -18.068 -19.910 50 HG SER 36 HG SER 36 13.750 -19.026 -19.407 51 H CYS 37 H CYS 37 17.113 -16.333 -17.671 52 HA CYS 37 HA CYS 37 19.734 -17.497 -17.823 53 1HB CYS 37 2HB CYS 37 18.744 -14.914 -16.561 54 2HB CYS 37 1HB CYS 37 20.406 -15.245 -17.047 55 H ARG 38 H ARG 38 17.467 -16.933 -15.190 56 HA ARG 38 HA ARG 38 19.318 -17.298 -13.001 57 1HB ARG 38 2HB ARG 38 16.925 -16.284 -13.132 58 2HB ARG 38 1HB ARG 38 16.367 -17.953 -13.007 59 1HG ARG 38 2HG ARG 38 16.441 -17.036 -10.774 60 2HG ARG 38 1HG ARG 38 17.770 -18.183 -10.927 61 1HD ARG 38 2HD ARG 38 18.941 -15.832 -11.790 62 2HD ARG 38 1HD ARG 38 17.869 -15.278 -10.487 63 HE ARG 38 HE ARG 38 19.827 -17.520 -10.128 64 1HH1 ARG 38 2HH1 ARG 38 17.584 -16.926 -8.117 65 2HH1 ARG 38 1HH1 ARG 38 18.449 -16.003 -6.933 66 1HH2 ARG 38 1HH2 ARG 38 21.163 -15.394 -9.003 67 2HH2 ARG 38 2HH2 ARG 38 20.475 -15.136 -7.435 68 H LYS 39 H LYS 39 17.428 -19.471 -15.030 69 HA LYS 39 HA LYS 39 17.749 -21.839 -13.391 70 1HB LYS 39 2HB LYS 39 15.946 -21.683 -14.967 71 2HB LYS 39 1HB LYS 39 17.042 -21.254 -16.279 72 1HG LYS 39 2HG LYS 39 17.729 -23.811 -15.023 73 2HG LYS 39 1HG LYS 39 16.112 -23.808 -15.731 74 1HD LYS 39 2HD LYS 39 18.061 -22.486 -17.451 75 2HD LYS 39 1HD LYS 39 18.500 -24.162 -17.122 76 1HE LYS 39 2HE LYS 39 16.902 -24.875 -18.559 77 2HE LYS 39 1HE LYS 39 15.661 -24.007 -17.632 78 1HZ LYS 39 3HZ LYS 39 17.512 -22.727 -19.574 79 2HZ LYS 39 2HZ LYS 39 15.907 -23.159 -19.925 80 3HZ LYS 39 1HZ LYS 39 16.233 -21.978 -18.750 81 H ARG 40 H ARG 40 19.612 -20.341 -16.009 82 HA ARG 40 HA ARG 40 21.575 -22.590 -15.918 83 1HB ARG 40 2HB ARG 40 21.187 -20.245 -17.806 84 2HB ARG 40 1HB ARG 40 22.353 -21.551 -18.034 85 1HG ARG 40 2HG ARG 40 20.047 -22.953 -17.605 86 2HG ARG 40 1HG ARG 40 19.437 -21.533 -18.454 87 1HD ARG 40 2HD ARG 40 20.534 -22.065 -20.415 88 2HD ARG 40 1HD ARG 40 21.897 -22.819 -19.563 89 HE ARG 40 HE ARG 40 19.821 -24.492 -18.927 90 1HH1 ARG 40 2HH1 ARG 40 19.068 -23.094 -21.717 91 2HH1 ARG 40 1HH1 ARG 40 19.392 -24.436 -22.764 92 1HH2 ARG 40 1HH2 ARG 40 21.070 -26.262 -20.338 93 2HH2 ARG 40 2HH2 ARG 40 20.525 -26.230 -21.983 94 H HIS 41 H HIS 41 21.085 -19.803 -14.275 95 HA HIS 41 HA HIS 41 22.492 -18.314 -13.115 96 1HB HIS 41 2HB HIS 41 24.485 -20.526 -13.710 97 2HB HIS 41 1HB HIS 41 24.590 -19.352 -12.401 98 HD1 HIS 41 HD1 HIS 41 23.702 -22.722 -12.849 99 HD2 HIS 41 HD2 HIS 41 21.878 -19.563 -10.832 100 HE1 HIS 41 HE1 HIS 41 22.114 -23.763 -11.174 101 H ILE 42 H ILE 42 22.182 -17.279 -15.511 102 HA ILE 42 HA ILE 42 24.860 -16.963 -16.795 103 HB ILE 42 HB ILE 42 22.091 -16.130 -17.715 104 1HG1 ILE 42 2HG1 ILE 42 23.707 -18.600 -18.423 105 2HG1 ILE 42 1HG1 ILE 42 22.287 -18.583 -17.380 106 1HG2 ILE 42 2HG2 ILE 42 24.009 -14.950 -18.778 107 2HG2 ILE 42 1HG2 ILE 42 24.683 -16.512 -19.244 108 3HG2 ILE 42 3HG2 ILE 42 23.144 -15.979 -19.919 109 1HD1 ILE 42 3HD1 ILE 42 21.243 -17.311 -19.500 110 2HD1 ILE 42 2HD1 ILE 42 22.470 -18.262 -20.337 111 3HD1 ILE 42 1HD1 ILE 42 21.237 -19.070 -19.368 112 H LYS 43 H LYS 43 25.833 -14.948 -16.880 113 HA LYS 43 HA LYS 43 24.984 -12.917 -14.974 114 1HB LYS 43 2HB LYS 43 27.217 -13.459 -16.866 115 2HB LYS 43 1HB LYS 43 26.956 -11.769 -16.434 116 1HG LYS 43 2HG LYS 43 28.426 -12.512 -14.758 117 2HG LYS 43 1HG LYS 43 26.846 -12.655 -13.986 118 1HD LYS 43 2HD LYS 43 26.855 -14.959 -14.072 119 2HD LYS 43 1HD LYS 43 27.833 -15.004 -15.539 120 1HE LYS 43 2HE LYS 43 29.156 -13.878 -13.115 121 2HE LYS 43 1HE LYS 43 28.865 -15.629 -13.127 122 1HZ LYS 43 1HZ LYS 43 29.804 -15.677 -15.397 123 2HZ LYS 43 3HZ LYS 43 30.217 -14.040 -15.243 124 3HZ LYS 43 2HZ LYS 43 30.938 -15.195 -14.226 125 H CYS 44 H CYS 44 22.806 -12.500 -15.963 126 HA CYS 44 HA CYS 44 22.248 -11.607 -18.543 127 1HB CYS 44 2HB CYS 44 20.759 -11.993 -16.479 128 2HB CYS 44 1HB CYS 44 21.141 -10.328 -16.038 129 HA PRO 45 HA PRO 45 24.702 -7.880 -18.893 130 1HB PRO 45 2HB PRO 45 22.897 -6.782 -20.844 131 2HB PRO 45 1HB PRO 45 24.462 -7.550 -21.123 132 1HG PRO 45 2HG PRO 45 21.870 -8.590 -21.748 133 2HG PRO 45 1HG PRO 45 23.435 -9.376 -21.981 134 1HD PRO 45 2HD PRO 45 21.396 -10.002 -20.023 135 2HD PRO 45 1HD PRO 45 22.948 -10.830 -20.298 136 H GLY 46 H GLY 46 21.193 -7.817 -18.497 137 1HA GLY 46 2HA GLY 46 20.158 -6.512 -16.718 138 2HA GLY 46 1HA GLY 46 21.490 -5.363 -16.836 139 H GLY 47 H GLY 47 18.576 -6.515 -18.477 140 1HA GLY 47 2HA GLY 47 17.976 -3.830 -19.411 141 2HA GLY 47 1HA GLY 47 18.483 -4.892 -20.727 142 H ASN 48 H ASN 48 16.016 -4.095 -21.104 143 HA ASN 48 HA ASN 48 14.377 -6.490 -20.488 144 1HB ASN 48 2HB ASN 48 14.119 -3.819 -19.288 145 2HB ASN 48 1HB ASN 48 12.613 -4.443 -19.963 146 1HD2 ASN 48 2HD2 ASN 48 12.768 -7.419 -17.796 147 2HD2 ASN 48 1HD2 ASN 48 12.563 -7.081 -19.447 148 HA PRO 49 HA PRO 49 13.883 -7.890 -21.774 149 1HB PRO 49 2HB PRO 49 14.815 -8.637 -24.382 150 2HB PRO 49 1HB PRO 49 13.295 -9.086 -23.615 151 1HG PRO 49 2HG PRO 49 13.653 -7.335 -25.826 152 2HG PRO 49 1HG PRO 49 12.150 -7.683 -24.968 153 1HD PRO 49 2HD PRO 49 13.774 -5.256 -24.888 154 2HD PRO 49 1HD PRO 49 12.159 -5.537 -24.192 155 H CYS 50 H CYS 50 15.927 -8.983 -21.353 156 HA CYS 50 HA CYS 50 18.261 -7.311 -21.279 157 1HB CYS 50 2HB CYS 50 19.320 -9.391 -20.463 158 2HB CYS 50 1HB CYS 50 17.738 -9.167 -19.721 159 H GLN 51 H GLN 51 20.010 -9.702 -22.253 160 HA GLN 51 HA GLN 51 19.637 -9.289 -25.194 161 1HB GLN 51 2HB GLN 51 21.284 -7.700 -24.142 162 2HB GLN 51 1HB GLN 51 22.251 -9.098 -23.671 163 1HG GLN 51 2HG GLN 51 23.247 -8.584 -25.699 164 2HG GLN 51 1HG GLN 51 22.004 -9.710 -26.242 165 1HE2 GLN 51 2HE2 GLN 51 20.592 -7.281 -28.347 166 2HE2 GLN 51 1HE2 GLN 51 20.959 -8.915 -28.064 167 H LYS 52 H LYS 52 21.219 -11.186 -22.622 168 HA LYS 52 HA LYS 52 22.337 -13.242 -24.227 169 1HB LYS 52 2HB LYS 52 21.428 -12.864 -21.415 170 2HB LYS 52 1HB LYS 52 21.735 -14.521 -21.939 171 1HG LYS 52 2HG LYS 52 23.733 -12.329 -22.483 172 2HG LYS 52 1HG LYS 52 23.720 -13.184 -20.940 173 1HD LYS 52 2HD LYS 52 24.211 -15.262 -21.949 174 2HD LYS 52 1HD LYS 52 23.745 -14.691 -23.552 175 1HE LYS 52 2HE LYS 52 26.089 -14.603 -23.686 176 2HE LYS 52 1HE LYS 52 25.713 -12.951 -23.156 177 1HZ LYS 52 1HZ LYS 52 25.828 -13.851 -20.826 178 2HZ LYS 52 3HZ LYS 52 26.516 -15.259 -21.476 179 3HZ LYS 52 2HZ LYS 52 27.314 -13.769 -21.645 180 H CYS 53 H CYS 53 19.018 -12.696 -23.236 181 HA CYS 53 HA CYS 53 18.182 -15.395 -24.157 182 1HB CYS 53 2HB CYS 53 17.100 -13.082 -22.637 183 2HB CYS 53 1HB CYS 53 15.946 -14.164 -23.401 184 H VAL 54 H VAL 54 17.780 -11.949 -24.922 185 HA VAL 54 HA VAL 54 15.903 -12.276 -27.057 186 HB VAL 54 HB VAL 54 18.050 -10.141 -26.953 187 1HG1 VAL 54 1HG1 VAL 54 15.880 -10.541 -28.603 188 2HG1 VAL 54 3HG1 VAL 54 15.231 -9.429 -27.395 189 3HG1 VAL 54 2HG1 VAL 54 16.665 -8.986 -28.326 190 1HG2 VAL 54 2HG2 VAL 54 15.659 -10.476 -25.135 191 2HG2 VAL 54 1HG2 VAL 54 17.329 -10.130 -24.685 192 3HG2 VAL 54 3HG2 VAL 54 16.354 -8.892 -25.472 193 H THR 55 H THR 55 19.381 -12.438 -26.805 194 HA THR 55 HA THR 55 19.939 -12.585 -29.638 195 HB THR 55 HB THR 55 21.485 -11.845 -27.827 196 HG1 THR 55 HG1 THR 55 23.257 -13.290 -28.563 197 1HG2 THR 55 2HG2 THR 55 20.655 -13.736 -26.294 198 2HG2 THR 55 1HG2 THR 55 21.828 -14.750 -27.131 199 3HG2 THR 55 3HG2 THR 55 22.368 -13.331 -26.232 200 H SER 56 H SER 56 19.422 -14.963 -27.045 201 HA SER 56 HA SER 56 20.001 -17.223 -28.845 202 1HB SER 56 2HB SER 56 19.254 -16.784 -25.967 203 2HB SER 56 1HB SER 56 19.067 -18.391 -26.661 204 HG SER 56 HG SER 56 21.121 -18.370 -25.966 205 H ASN 57 H ASN 57 17.225 -17.066 -26.670 206 HA ASN 57 HA ASN 57 15.157 -16.529 -28.484 207 1HB ASN 57 2HB ASN 57 14.439 -18.948 -28.910 208 2HB ASN 57 1HB ASN 57 15.853 -18.403 -29.796 209 1HD2 ASN 57 2HD2 ASN 57 18.051 -20.677 -28.202 210 2HD2 ASN 57 1HD2 ASN 57 17.897 -19.393 -29.302 211 H ALA 58 H ALA 58 15.757 -16.228 -25.720 212 HA ALA 58 HA ALA 58 13.580 -17.863 -24.450 213 1HB ALA 58 2HB ALA 58 16.341 -17.218 -23.752 214 2HB ALA 58 1HB ALA 58 15.223 -16.822 -22.447 215 3HB ALA 58 3HB ALA 58 15.286 -18.465 -23.086 216 H ILE 59 H ILE 59 12.174 -16.743 -22.983 217 HA ILE 59 HA ILE 59 11.644 -13.971 -23.650 218 HB ILE 59 HB ILE 59 10.556 -15.721 -21.425 219 1HG1 ILE 59 2HG1 ILE 59 9.618 -15.382 -24.295 220 2HG1 ILE 59 1HG1 ILE 59 10.344 -16.840 -23.615 221 1HG2 ILE 59 3HG2 ILE 59 10.032 -13.017 -22.309 222 2HG2 ILE 59 2HG2 ILE 59 8.591 -14.014 -22.502 223 3HG2 ILE 59 1HG2 ILE 59 9.365 -13.878 -20.923 224 1HD1 ILE 59 2HD1 ILE 59 8.227 -16.123 -21.878 225 2HD1 ILE 59 1HD1 ILE 59 7.593 -15.987 -23.518 226 3HD1 ILE 59 3HD1 ILE 59 8.296 -17.508 -22.968 227 H CYS 60 H CYS 60 12.186 -12.193 -22.449 228 HA CYS 60 HA CYS 60 14.012 -12.626 -20.127 229 1HB CYS 60 2HB CYS 60 13.648 -10.077 -21.716 230 2HB CYS 60 1HB CYS 60 15.047 -10.595 -20.789 231 H GLU 61 H GLU 61 12.757 -12.524 -18.271 232 HA GLU 61 HA GLU 61 11.083 -10.071 -17.906 233 1HB GLU 61 2HB GLU 61 10.355 -12.980 -17.696 234 2HB GLU 61 1HB GLU 61 9.523 -11.807 -16.674 235 1HG GLU 61 2HG GLU 61 8.762 -10.562 -18.592 236 2HG GLU 61 1HG GLU 61 9.773 -11.515 -19.678 237 H TYR 62 H TYR 62 10.832 -9.474 -15.646 238 HA TYR 62 HA TYR 62 12.779 -10.826 -13.805 239 1HB TYR 62 2HB TYR 62 12.078 -7.902 -14.209 240 2HB TYR 62 1HB TYR 62 13.079 -8.489 -12.881 241 HD1 TYR 62 HD1 TYR 62 14.660 -10.632 -14.183 242 HD2 TYR 62 HD2 TYR 62 13.551 -6.716 -15.629 243 HE1 TYR 62 HE1 TYR 62 16.648 -10.621 -15.683 244 HE2 TYR 62 HE2 TYR 62 15.543 -6.707 -17.127 245 HH TYR 62 HH TYR 62 17.352 -9.495 -17.805 246 H LEU 63 H LEU 63 10.123 -8.417 -13.586 247 HA LEU 63 HA LEU 63 8.771 -10.176 -11.590 248 1HB LEU 63 2HB LEU 63 10.372 -8.565 -10.492 249 2HB LEU 63 1HB LEU 63 9.415 -7.242 -11.160 250 HG LEU 63 HG LEU 63 7.443 -8.703 -10.016 251 1HD1 LEU 63 3HD1 LEU 63 9.248 -10.292 -9.155 252 2HD1 LEU 63 2HD1 LEU 63 9.772 -8.976 -8.103 253 3HD1 LEU 63 1HD1 LEU 63 8.150 -9.648 -7.936 254 1HD2 LEU 63 3HD2 LEU 63 9.210 -6.496 -9.001 255 2HD2 LEU 63 2HD2 LEU 63 7.515 -6.433 -9.484 256 3HD2 LEU 63 1HD2 LEU 63 7.966 -7.156 -7.940 257 H GLU 64 H GLU 64 8.520 -6.921 -13.096 258 HA GLU 64 HA GLU 64 5.652 -7.564 -13.710 259 1HB GLU 64 2HB GLU 64 6.474 -5.788 -11.887 260 2HB GLU 64 1HB GLU 64 6.617 -4.761 -13.314 261 1HG GLU 64 2HG GLU 64 4.168 -5.974 -13.700 262 2HG GLU 64 1HG GLU 64 4.207 -5.739 -11.953 263 HA PRO 65 HA PRO 65 8.028 -6.638 -17.643 264 1HB PRO 65 2HB PRO 65 6.292 -8.540 -18.927 265 2HB PRO 65 1HB PRO 65 8.026 -8.681 -18.628 266 1HG PRO 65 2HG PRO 65 5.910 -10.118 -17.345 267 2HG PRO 65 1HG PRO 65 7.644 -10.223 -17.021 268 1HD PRO 65 2HD PRO 65 5.599 -9.009 -15.356 269 2HD PRO 65 1HD PRO 65 7.343 -9.158 -15.026 270 H SER 66 H SER 66 6.303 -6.851 -19.947 271 HA SER 66 HA SER 66 4.829 -4.398 -19.778 272 1HB SER 66 2HB SER 66 5.681 -6.257 -21.704 273 2HB SER 66 1HB SER 66 3.926 -6.239 -21.844 274 HG SER 66 HG SER 66 5.274 -4.589 -23.033 275 H LYS 67 H LYS 67 2.458 -4.163 -19.964 276 HA LYS 67 HA LYS 67 0.781 -6.492 -19.268 277 1HB LYS 67 2HB LYS 67 0.000 -5.389 -17.175 278 2HB LYS 67 1HB LYS 67 1.725 -5.759 -17.120 279 1HG LYS 67 2HG LYS 67 2.064 -3.361 -18.035 280 2HG LYS 67 1HG LYS 67 0.393 -3.085 -17.539 281 1HD LYS 67 2HD LYS 67 0.970 -3.819 -15.241 282 2HD LYS 67 1HD LYS 67 2.648 -4.031 -15.744 283 1HE LYS 67 2HE LYS 67 2.965 -1.853 -15.183 284 2HE LYS 67 1HE LYS 67 1.971 -1.437 -16.594 285 1HZ LYS 67 3HZ LYS 67 0.846 -2.181 -13.949 286 2HZ LYS 67 2HZ LYS 67 1.091 -0.573 -14.441 287 3HZ LYS 67 1HZ LYS 67 0.003 -1.568 -15.286 288 H LYS 68 H LYS 68 -1.069 -6.221 -20.445 289 HA LYS 68 HA LYS 68 -1.757 -3.558 -21.525 290 1HB LYS 68 2HB LYS 68 -2.758 -6.393 -21.882 291 2HB LYS 68 1HB LYS 68 -3.524 -5.019 -22.678 292 1HG LYS 68 2HG LYS 68 -1.072 -4.452 -23.439 293 2HG LYS 68 1HG LYS 68 -0.777 -6.158 -23.099 294 1HD LYS 68 2HD LYS 68 -3.233 -5.602 -24.650 295 2HD LYS 68 1HD LYS 68 -1.723 -5.229 -25.483 296 1HE LYS 68 2HE LYS 68 -1.334 -7.431 -25.838 297 2HE LYS 68 1HE LYS 68 -1.495 -7.771 -24.103 298 1HZ LYS 68 2HZ LYS 68 -3.974 -7.446 -24.494 299 2HZ LYS 68 1HZ LYS 68 -3.627 -7.619 -26.148 300 3HZ LYS 68 3HZ LYS 68 -3.288 -8.887 -25.076 301 H ILE 69 H ILE 69 -3.355 -2.283 -20.651 302 HA ILE 69 HA ILE 69 -4.588 -2.833 -18.149 303 HB ILE 69 HB ILE 69 -4.244 -0.614 -19.217 304 1HG1 ILE 69 2HG1 ILE 69 -6.420 0.356 -18.571 305 2HG1 ILE 69 1HG1 ILE 69 -7.142 -1.251 -18.589 306 1HG2 ILE 69 1HG2 ILE 69 -5.130 -1.652 -21.473 307 2HG2 ILE 69 3HG2 ILE 69 -6.685 -1.068 -20.884 308 3HG2 ILE 69 2HG2 ILE 69 -5.356 0.061 -21.134 309 1HD1 ILE 69 2HD1 ILE 69 -4.720 -1.203 -16.980 310 2HD1 ILE 69 1HD1 ILE 69 -5.890 -0.014 -16.410 311 3HD1 ILE 69 3HD1 ILE 69 -6.347 -1.714 -16.529 312 H VAL 70 H VAL 70 -6.983 -3.026 -17.810 313 HA VAL 70 HA VAL 70 -8.810 -3.941 -19.797 314 HB VAL 70 HB VAL 70 -7.290 -5.837 -19.988 315 1HG1 VAL 70 1HG1 VAL 70 -7.049 -5.403 -17.143 316 2HG1 VAL 70 3HG1 VAL 70 -7.455 -7.089 -17.467 317 3HG1 VAL 70 2HG1 VAL 70 -6.027 -6.368 -18.208 318 1HG2 VAL 70 2HG2 VAL 70 -9.999 -6.024 -19.288 319 2HG2 VAL 70 1HG2 VAL 70 -9.030 -7.267 -20.081 320 3HG2 VAL 70 3HG2 VAL 70 -9.195 -7.266 -18.325 321 H VAL 71 H VAL 71 -10.279 -2.719 -18.595 322 HA VAL 71 HA VAL 71 -11.300 -3.979 -16.131 323 HB VAL 71 HB VAL 71 -10.169 -1.161 -16.267 324 1HG1 VAL 71 1HG1 VAL 71 -11.931 -2.555 -14.269 325 2HG1 VAL 71 3HG1 VAL 71 -10.765 -1.355 -13.715 326 3HG1 VAL 71 2HG1 VAL 71 -12.021 -0.898 -14.865 327 1HG2 VAL 71 1HG2 VAL 71 -9.360 -3.708 -14.852 328 2HG2 VAL 71 3HG2 VAL 71 -8.386 -2.696 -15.918 329 3HG2 VAL 71 2HG2 VAL 71 -8.809 -2.125 -14.304 330 H SER 72 H SER 72 -11.740 -0.617 -17.192 331 HA SER 72 HA SER 72 -14.426 -1.281 -18.298 332 1HB SER 72 2HB SER 72 -14.465 -0.887 -15.789 333 2HB SER 72 1HB SER 72 -13.932 0.761 -16.115 334 HG SER 72 HG SER 72 -16.391 -0.423 -16.466 335 H THR 73 H THR 73 -14.640 -0.108 -20.177 336 HA THR 73 HA THR 73 -12.799 2.001 -20.919 337 HB THR 73 HB THR 73 -13.990 0.434 -22.468 338 HG1 THR 73 HG1 THR 73 -13.663 1.965 -23.837 339 1HG2 THR 73 2HG2 THR 73 -16.163 0.479 -21.223 340 2HG2 THR 73 1HG2 THR 73 -16.427 2.116 -21.822 341 3HG2 THR 73 3HG2 THR 73 -16.349 0.765 -22.953 342 H LYS 74 H LYS 74 -16.079 1.943 -19.543 343 HA LYS 74 HA LYS 74 -16.869 4.626 -19.868 344 1HB LYS 74 2HB LYS 74 -17.874 2.472 -18.649 345 2HB LYS 74 1HB LYS 74 -17.208 3.267 -17.224 346 1HG LYS 74 2HG LYS 74 -18.770 4.966 -19.104 347 2HG LYS 74 1HG LYS 74 -19.677 3.807 -18.133 348 1HD LYS 74 2HD LYS 74 -17.885 4.923 -16.319 349 2HD LYS 74 1HD LYS 74 -18.382 6.293 -17.313 350 1HE LYS 74 2HE LYS 74 -20.668 6.020 -16.759 351 2HE LYS 74 1HE LYS 74 -20.417 4.360 -16.183 352 1HZ LYS 74 3HZ LYS 74 -18.799 5.400 -14.545 353 2HZ LYS 74 2HZ LYS 74 -19.515 6.890 -14.937 354 3HZ LYS 74 1HZ LYS 74 -20.449 5.651 -14.245 355 H TYR 75 H TYR 75 -14.488 3.198 -17.731 356 HA TYR 75 HA TYR 75 -14.023 5.596 -16.138 357 1HB TYR 75 2HB TYR 75 -13.357 3.752 -14.947 358 2HB TYR 75 1HB TYR 75 -13.126 2.793 -16.399 359 HD1 TYR 75 HD1 TYR 75 -11.494 5.977 -15.201 360 HD2 TYR 75 HD2 TYR 75 -10.990 1.838 -16.338 361 HE1 TYR 75 HE1 TYR 75 -9.024 6.208 -14.959 362 HE2 TYR 75 HE2 TYR 75 -8.527 2.073 -16.098 363 HH TYR 75 HH TYR 75 -7.041 4.371 -14.444 364 H LEU 76 H LEU 76 -12.615 4.058 -19.007 365 HA LEU 76 HA LEU 76 -10.358 5.840 -19.287 366 1HB LEU 76 2HB LEU 76 -11.879 3.855 -20.950 367 2HB LEU 76 1HB LEU 76 -10.724 4.917 -21.757 368 HG LEU 76 HG LEU 76 -9.234 4.140 -19.643 369 1HD1 LEU 76 1HD1 LEU 76 -11.011 2.656 -18.795 370 2HD1 LEU 76 3HD1 LEU 76 -10.993 1.775 -20.321 371 3HD1 LEU 76 2HD1 LEU 76 -9.582 1.739 -19.270 372 1HD2 LEU 76 2HD2 LEU 76 -9.560 3.275 -22.440 373 2HD2 LEU 76 1HD2 LEU 76 -8.098 3.756 -21.577 374 3HD2 LEU 76 3HD2 LEU 76 -8.715 2.111 -21.420 375 H GLN 77 H GLN 77 -13.715 5.879 -20.420 376 HA GLN 77 HA GLN 77 -13.453 8.109 -22.230 377 1HB GLN 77 2HB GLN 77 -15.469 6.339 -21.112 378 2HB GLN 77 1HB GLN 77 -16.071 7.991 -21.204 379 1HG GLN 77 2HG GLN 77 -16.401 7.719 -23.412 380 2HG GLN 77 1HG GLN 77 -14.663 7.501 -23.619 381 1HE2 GLN 77 2HE2 GLN 77 -14.937 4.045 -24.228 382 2HE2 GLN 77 1HE2 GLN 77 -13.952 5.427 -24.217 383 H GLN 78 H GLN 78 -14.589 7.862 -18.836 384 HA GLN 78 HA GLN 78 -15.192 10.592 -18.395 385 1HB GLN 78 2HB GLN 78 -15.601 8.579 -16.911 386 2HB GLN 78 1HB GLN 78 -13.897 8.646 -16.459 387 1HG GLN 78 2HG GLN 78 -15.101 9.853 -14.768 388 2HG GLN 78 1HG GLN 78 -14.290 11.058 -15.768 389 1HE2 GLN 78 2HE2 GLN 78 -18.375 10.660 -16.109 390 2HE2 GLN 78 1HE2 GLN 78 -17.458 9.335 -15.575 391 H LEU 79 H LEU 79 -12.121 8.920 -18.594 392 HA LEU 79 HA LEU 79 -10.522 11.091 -17.458 393 1HB LEU 79 2HB LEU 79 -10.268 8.370 -18.100 394 2HB LEU 79 1HB LEU 79 -9.157 9.197 -19.193 395 HG LEU 79 HG LEU 79 -8.173 10.393 -17.253 396 1HD1 LEU 79 1HD1 LEU 79 -10.493 9.197 -15.945 397 2HD1 LEU 79 3HD1 LEU 79 -8.998 8.868 -15.069 398 3HD1 LEU 79 2HD1 LEU 79 -9.473 10.531 -15.409 399 1HD2 LEU 79 2HD2 LEU 79 -7.983 7.593 -17.865 400 2HD2 LEU 79 1HD2 LEU 79 -6.725 8.670 -17.259 401 3HD2 LEU 79 3HD2 LEU 79 -7.768 7.809 -16.128 402 H GLN 80 H GLN 80 -11.318 9.885 -20.695 403 HA GLN 80 HA GLN 80 -9.595 11.651 -22.163 404 1HB GLN 80 2HB GLN 80 -11.561 9.588 -22.563 405 2HB GLN 80 1HB GLN 80 -11.880 10.917 -23.677 406 1HG GLN 80 2HG GLN 80 -9.987 10.524 -24.870 407 2HG GLN 80 1HG GLN 80 -9.030 10.225 -23.421 408 1HE2 GLN 80 2HE2 GLN 80 -10.342 6.727 -23.316 409 2HE2 GLN 80 1HE2 GLN 80 -10.397 8.059 -22.266 410 H LYS 81 H LYS 81 -13.169 11.779 -21.711 411 HA LYS 81 HA LYS 81 -13.572 14.343 -22.858 412 1HB LYS 81 2HB LYS 81 -14.951 12.839 -20.609 413 2HB LYS 81 1HB LYS 81 -15.613 14.304 -21.335 414 1HG LYS 81 2HG LYS 81 -15.363 13.093 -23.593 415 2HG LYS 81 1HG LYS 81 -15.142 11.624 -22.641 416 1HD LYS 81 2HD LYS 81 -17.481 13.424 -22.078 417 2HD LYS 81 1HD LYS 81 -17.555 12.288 -23.425 418 1HE LYS 81 2HE LYS 81 -17.811 10.508 -22.030 419 2HE LYS 81 1HE LYS 81 -16.523 11.076 -20.948 420 1HZ LYS 81 1HZ LYS 81 -19.172 12.396 -21.113 421 2HZ LYS 81 3HZ LYS 81 -18.849 11.151 -20.007 422 3HZ LYS 81 2HZ LYS 81 -17.973 12.605 -19.928 423 H ASP 82 H ASP 82 -12.518 13.405 -19.609 424 HA ASP 82 HA ASP 82 -12.729 15.913 -18.294 425 1HB ASP 82 2HB ASP 82 -11.470 13.342 -17.969 426 2HB ASP 82 1HB ASP 82 -10.321 14.604 -17.534 427 H LEU 83 H LEU 83 -10.277 14.606 -20.500 428 HA LEU 83 HA LEU 83 -8.381 16.753 -20.264 429 1HB LEU 83 2HB LEU 83 -8.849 14.350 -21.803 430 2HB LEU 83 1HB LEU 83 -8.313 15.650 -22.870 431 HG LEU 83 HG LEU 83 -6.882 15.334 -20.276 432 1HD1 LEU 83 2HD1 LEU 83 -7.112 13.220 -22.292 433 2HD1 LEU 83 1HD1 LEU 83 -5.443 13.720 -22.025 434 3HD1 LEU 83 3HD1 LEU 83 -6.419 13.151 -20.672 435 1HD2 LEU 83 3HD2 LEU 83 -6.562 16.971 -22.392 436 2HD2 LEU 83 2HD2 LEU 83 -5.205 16.440 -21.397 437 3HD2 LEU 83 1HD2 LEU 83 -5.549 15.629 -22.926 438 H ASN 84 H ASN 84 -11.039 16.115 -22.575 439 HA ASN 84 HA ASN 84 -10.747 18.498 -24.123 440 1HB ASN 84 2HB ASN 84 -12.392 16.267 -23.967 441 2HB ASN 84 1HB ASN 84 -13.491 17.599 -23.627 442 1HD2 ASN 84 2HD2 ASN 84 -13.438 18.827 -26.943 443 2HD2 ASN 84 1HD2 ASN 84 -14.017 19.034 -25.361 444 H ASP 85 H ASP 85 -12.076 17.838 -20.950 445 HA ASP 85 HA ASP 85 -13.542 20.344 -20.673 446 1HB ASP 85 2HB ASP 85 -13.730 18.068 -19.405 447 2HB ASP 85 1HB ASP 85 -12.379 18.666 -18.442 448 H LYS 86 H LYS 86 -10.219 19.374 -20.455 449 HA LYS 86 HA LYS 86 -9.328 21.595 -18.760 450 1HB LYS 86 2HB LYS 86 -8.056 19.509 -18.936 451 2HB LYS 86 1HB LYS 86 -7.921 19.699 -20.676 452 1HG LYS 86 2HG LYS 86 -6.653 21.799 -20.336 453 2HG LYS 86 1HG LYS 86 -6.741 21.556 -18.593 454 1HD LYS 86 2HD LYS 86 -4.615 20.692 -19.259 455 2HD LYS 86 1HD LYS 86 -5.643 19.285 -18.991 456 1HE LYS 86 2HE LYS 86 -5.045 18.643 -21.093 457 2HE LYS 86 1HE LYS 86 -6.107 19.943 -21.668 458 1HZ LYS 86 3HZ LYS 86 -4.166 21.473 -21.224 459 2HZ LYS 86 2HZ LYS 86 -3.203 20.079 -21.091 460 3HZ LYS 86 1HZ LYS 86 -3.997 20.432 -22.551 461 H THR 87 H THR 87 -9.793 20.861 -22.138 462 HA THR 87 HA THR 87 -8.461 23.201 -23.173 463 HB THR 87 HB THR 87 -10.225 20.950 -24.106 464 HG1 THR 87 HG1 THR 87 -7.803 22.089 -25.044 465 1HG2 THR 87 3HG2 THR 87 -9.848 23.549 -25.592 466 2HG2 THR 87 2HG2 THR 87 -10.103 22.029 -26.451 467 3HG2 THR 87 1HG2 THR 87 -11.331 22.630 -25.336 468 H GLU 88 H GLU 88 -11.847 22.265 -22.517 469 HA GLU 88 HA GLU 88 -13.057 24.760 -23.280 470 1HB GLU 88 2HB GLU 88 -14.285 22.648 -23.004 471 2HB GLU 88 1HB GLU 88 -13.846 22.594 -21.297 472 1HG GLU 88 2HG GLU 88 -14.972 25.087 -21.489 473 2HG GLU 88 1HG GLU 88 -15.937 24.175 -22.651 474 H GLU 89 H GLU 89 -11.615 23.525 -20.299 475 HA GLU 89 HA GLU 89 -12.371 25.763 -18.613 476 1HB GLU 89 2HB GLU 89 -10.549 23.405 -18.574 477 2HB GLU 89 1HB GLU 89 -10.140 24.724 -17.479 478 1HG GLU 89 2HG GLU 89 -12.875 23.426 -17.641 479 2HG GLU 89 1HG GLU 89 -11.652 23.023 -16.435 480 H ASN 90 H ASN 90 -9.391 24.855 -20.354 481 HA ASN 90 HA ASN 90 -7.788 27.115 -19.801 482 1HB ASN 90 2HB ASN 90 -8.053 24.981 -21.828 483 2HB ASN 90 1HB ASN 90 -7.230 26.421 -22.418 484 1HD2 ASN 90 2HD2 ASN 90 -5.421 24.042 -19.642 485 2HD2 ASN 90 1HD2 ASN 90 -7.030 23.762 -20.103 486 H ASN 91 H ASN 91 -10.581 26.707 -21.844 487 HA ASN 91 HA ASN 91 -10.233 29.198 -23.350 488 1HB ASN 91 2HB ASN 91 -12.117 26.896 -23.120 489 2HB ASN 91 1HB ASN 91 -12.783 28.389 -23.769 490 1HD2 ASN 91 2HD2 ASN 91 -9.798 26.490 -25.874 491 2HD2 ASN 91 1HD2 ASN 91 -9.913 26.247 -24.197 492 H ARG 92 H ARG 92 -12.245 28.010 -20.654 493 HA ARG 92 HA ARG 92 -13.737 30.464 -20.298 494 1HB ARG 92 2HB ARG 92 -14.434 28.230 -19.507 495 2HB ARG 92 1HB ARG 92 -13.051 28.192 -18.413 496 1HG ARG 92 2HG ARG 92 -13.967 29.741 -16.972 497 2HG ARG 92 1HG ARG 92 -14.878 30.546 -18.249 498 1HD ARG 92 2HD ARG 92 -16.026 28.037 -18.236 499 2HD ARG 92 1HD ARG 92 -15.689 28.310 -16.514 500 HE ARG 92 HE ARG 92 -16.716 30.736 -17.406 501 1HH1 ARG 92 2HH1 ARG 92 -17.737 27.688 -16.374 502 2HH1 ARG 92 1HH1 ARG 92 -19.412 27.940 -16.741 503 1HH2 ARG 92 1HH2 ARG 92 -18.878 30.974 -18.332 504 2HH2 ARG 92 2HH2 ARG 92 -20.057 29.801 -17.849 505 H LEU 93 H LEU 93 -11.125 29.006 -18.312 506 HA LEU 93 HA LEU 93 -10.608 31.144 -16.578 507 1HB LEU 93 2HB LEU 93 -8.779 29.144 -17.943 508 2HB LEU 93 1HB LEU 93 -8.255 30.171 -16.607 509 HG LEU 93 HG LEU 93 -10.721 28.451 -16.374 510 1HD1 LEU 93 3HD1 LEU 93 -8.107 27.469 -16.776 511 2HD1 LEU 93 2HD1 LEU 93 -8.407 27.338 -15.042 512 3HD1 LEU 93 1HD1 LEU 93 -9.504 26.566 -16.189 513 1HD2 LEU 93 3HD2 LEU 93 -9.900 30.405 -14.774 514 2HD2 LEU 93 2HD2 LEU 93 -10.562 28.914 -14.103 515 3HD2 LEU 93 1HD2 LEU 93 -8.816 29.152 -14.168 516 H LYS 94 H LYS 94 -9.288 30.598 -19.849 517 HA LYS 94 HA LYS 94 -7.566 32.828 -20.040 518 1HB LYS 94 2HB LYS 94 -9.102 31.032 -21.827 519 2HB LYS 94 1HB LYS 94 -8.619 32.567 -22.549 520 1HG LYS 94 2HG LYS 94 -6.277 32.053 -21.549 521 2HG LYS 94 1HG LYS 94 -6.869 30.398 -21.402 522 1HD LYS 94 2HD LYS 94 -7.447 30.430 -23.830 523 2HD LYS 94 1HD LYS 94 -6.729 32.036 -23.949 524 1HE LYS 94 2HE LYS 94 -4.999 29.998 -22.666 525 2HE LYS 94 1HE LYS 94 -5.320 29.744 -24.393 526 1HZ LYS 94 2HZ LYS 94 -4.551 32.371 -23.245 527 2HZ LYS 94 1HZ LYS 94 -3.425 31.282 -23.902 528 3HZ LYS 94 3HZ LYS 94 -4.635 31.945 -24.887 529 H ALA 95 H ALA 95 -11.093 32.611 -20.290 530 HA ALA 95 HA ALA 95 -11.265 35.475 -21.082 531 1HB ALA 95 3HB ALA 95 -13.020 33.067 -21.002 532 2HB ALA 95 2HB ALA 95 -13.816 34.631 -20.833 533 3HB ALA 95 1HB ALA 95 -12.846 34.286 -22.265 534 H LEU 96 H LEU 96 -12.750 33.412 -18.539 535 HA LEU 96 HA LEU 96 -13.853 35.379 -16.902 536 1HB LEU 96 2HB LEU 96 -13.611 32.725 -16.807 537 2HB LEU 96 1HB LEU 96 -12.332 33.121 -15.660 538 HG LEU 96 HG LEU 96 -14.411 34.794 -14.897 539 1HD1 LEU 96 3HD1 LEU 96 -15.451 32.160 -15.930 540 2HD1 LEU 96 2HD1 LEU 96 -16.251 32.979 -14.589 541 3HD1 LEU 96 1HD1 LEU 96 -16.120 33.776 -16.156 542 1HD2 LEU 96 3HD2 LEU 96 -12.792 33.328 -13.551 543 2HD2 LEU 96 2HD2 LEU 96 -14.427 33.473 -12.907 544 3HD2 LEU 96 1HD2 LEU 96 -13.951 32.019 -13.782 545 H LEU 97 H LEU 97 -10.448 34.417 -17.141 546 HA LEU 97 HA LEU 97 -9.644 36.162 -14.903 547 1HB LEU 97 2HB LEU 97 -8.133 34.506 -16.951 548 2HB LEU 97 1HB LEU 97 -7.388 35.308 -15.569 549 HG LEU 97 HG LEU 97 -9.699 33.406 -15.204 550 1HD1 LEU 97 3HD1 LEU 97 -6.743 32.767 -15.389 551 2HD1 LEU 97 2HD1 LEU 97 -7.931 31.681 -14.671 552 3HD1 LEU 97 1HD1 LEU 97 -8.039 32.100 -16.380 553 1HD2 LEU 97 2HD2 LEU 97 -8.943 34.978 -13.373 554 2HD2 LEU 97 1HD2 LEU 97 -8.846 33.270 -12.945 555 3HD2 LEU 97 3HD2 LEU 97 -7.385 34.152 -13.391 556 H LEU 98 H LEU 98 -8.929 36.009 -18.422 557 HA LEU 98 HA LEU 98 -9.088 38.926 -18.660 558 1HB LEU 98 2HB LEU 98 -6.589 37.508 -18.104 559 2HB LEU 98 1HB LEU 98 -6.498 38.462 -19.583 560 HG LEU 98 HG LEU 98 -7.327 39.465 -16.859 561 1HD1 LEU 98 3HD1 LEU 98 -4.792 39.065 -17.919 562 2HD1 LEU 98 2HD1 LEU 98 -5.106 40.771 -18.237 563 3HD1 LEU 98 1HD1 LEU 98 -5.189 40.151 -16.588 564 1HD2 LEU 98 2HD2 LEU 98 -7.397 40.677 -19.606 565 2HD2 LEU 98 1HD2 LEU 98 -8.593 40.790 -18.314 566 3HD2 LEU 98 3HD2 LEU 98 -7.093 41.713 -18.212 567 H GLU 99 H GLU 99 -6.951 36.797 -20.450 568 HA GLU 99 HA GLU 99 -8.782 36.066 -22.552 569 1HB GLU 99 2HB GLU 99 -8.458 38.670 -22.615 570 2HB GLU 99 1HB GLU 99 -6.897 38.279 -23.335 571 1HG GLU 99 2HG GLU 99 -7.835 37.455 -25.268 572 2HG GLU 99 1HG GLU 99 -9.286 36.884 -24.443 573 H ARG 100 HN ARG 100 -5.450 36.872 -21.654 574 HA ARG 100 HA ARG 100 -4.535 34.346 -22.936 575 1HB ARG 100 2HB ARG 100 -4.360 36.844 -24.166 576 2HB ARG 100 1HB ARG 100 -2.756 36.606 -23.470 577 1HG ARG 100 2HG ARG 100 -2.520 34.471 -24.596 578 2HG ARG 100 1HG ARG 100 -4.185 34.546 -25.174 579 1HD ARG 100 2HD ARG 100 -3.684 36.076 -26.827 580 2HD ARG 100 1HD ARG 100 -2.404 36.845 -25.867 581 HE ARG 100 HE ARG 100 -1.463 34.270 -26.315 582 1HH1 ARG 100 1HH2 ARG 100 -0.899 37.175 -27.614 583 2HH1 ARG 100 2HH2 ARG 100 -0.649 36.661 -29.248 584 1HH2 ARG 100 1HH1 ARG 100 -1.867 33.459 -28.708 585 2HH2 ARG 100 2HH1 ARG 100 -1.197 34.557 -29.868 586 1H MET 30 1H MET 30 -17.129 -10.629 1.548 587 2H MET 30 3H MET 30 -16.080 -9.435 2.141 588 3H MET 30 2H MET 30 -17.485 -8.986 1.300 589 HA MET 30 HA MET 30 -15.789 -8.714 -0.276 590 1HB MET 30 2HB MET 30 -14.543 -10.485 1.492 591 2HB MET 30 1HB MET 30 -14.600 -11.371 -0.033 592 1HG MET 30 2HG MET 30 -13.693 -9.251 -1.136 593 2HG MET 30 1HG MET 30 -13.364 -8.661 0.493 594 1HE MET 30 2HE MET 30 -11.096 -8.424 0.735 595 2HE MET 30 1HE MET 30 -11.477 -9.526 2.056 596 3HE MET 30 3HE MET 30 -10.005 -9.758 1.103 597 H SER 31 H SER 31 -15.753 -9.664 -2.464 598 HA SER 31 HA SER 31 -17.126 -12.143 -3.072 599 1HB SER 31 2HB SER 31 -19.172 -11.087 -3.996 600 2HB SER 31 1HB SER 31 -19.007 -10.755 -2.274 601 HG SER 31 HG SER 31 -19.168 -8.751 -2.898 602 H VAL 32 H VAL 32 -15.221 -12.303 -4.444 603 HA VAL 32 HA VAL 32 -15.538 -10.861 -7.027 604 HB VAL 32 HB VAL 32 -13.011 -10.941 -5.346 605 1HG1 VAL 32 3HG1 VAL 32 -13.525 -10.425 -8.182 606 2HG1 VAL 32 2HG1 VAL 32 -12.693 -9.089 -7.386 607 3HG1 VAL 32 1HG1 VAL 32 -11.995 -10.707 -7.353 608 1HG2 VAL 32 1HG2 VAL 32 -15.082 -8.830 -5.927 609 2HG2 VAL 32 3HG2 VAL 32 -14.373 -9.283 -4.377 610 3HG2 VAL 32 2HG2 VAL 32 -13.422 -8.371 -5.550 611 H ALA 33 H ALA 33 -16.236 -13.412 -6.985 612 HA ALA 33 HA ALA 33 -13.825 -14.946 -7.908 613 1HB ALA 33 1HB ALA 33 -16.167 -15.593 -6.161 614 2HB ALA 33 3HB ALA 33 -15.510 -16.885 -7.168 615 3HB ALA 33 2HB ALA 33 -14.477 -16.073 -5.991 616 H CYS 34 H CYS 34 -14.563 -16.797 -9.442 617 HA CYS 34 HA CYS 34 -16.075 -15.631 -11.644 618 1HB CYS 34 2HB CYS 34 -15.029 -18.441 -11.176 619 2HB CYS 34 1HB CYS 34 -15.477 -17.748 -12.732 620 H LEU 35 H LEU 35 -17.753 -17.298 -12.710 621 HA LEU 35 HA LEU 35 -19.970 -17.537 -10.843 622 1HB LEU 35 2HB LEU 35 -19.391 -17.822 -13.718 623 2HB LEU 35 1HB LEU 35 -20.673 -18.882 -13.135 624 HG LEU 35 HG LEU 35 -21.527 -16.695 -11.935 625 1HD1 LEU 35 3HD1 LEU 35 -19.302 -15.613 -13.007 626 2HD1 LEU 35 2HD1 LEU 35 -20.425 -15.319 -14.334 627 3HD1 LEU 35 1HD1 LEU 35 -20.771 -14.676 -12.728 628 1HD2 LEU 35 3HD2 LEU 35 -22.488 -18.068 -13.939 629 2HD2 LEU 35 2HD2 LEU 35 -23.064 -16.419 -13.696 630 3HD2 LEU 35 1HD2 LEU 35 -21.851 -16.756 -14.931 631 H SER 36 H SER 36 -17.505 -19.652 -12.092 632 HA SER 36 HA SER 36 -18.807 -22.156 -11.357 633 1HB SER 36 2HB SER 36 -16.417 -21.192 -12.664 634 2HB SER 36 1HB SER 36 -15.981 -22.419 -11.479 635 HG SER 36 HG SER 36 -17.909 -22.626 -13.557 636 H CYS 37 H CYS 37 -16.289 -20.073 -9.926 637 HA CYS 37 HA CYS 37 -15.817 -21.701 -7.597 638 1HB CYS 37 2HB CYS 37 -15.495 -18.714 -8.058 639 2HB CYS 37 1HB CYS 37 -14.676 -19.660 -6.817 640 H ARG 38 H ARG 38 -18.273 -19.371 -8.468 641 HA ARG 38 HA ARG 38 -19.179 -18.794 -5.762 642 1HB ARG 38 2HB ARG 38 -19.435 -17.483 -7.994 643 2HB ARG 38 1HB ARG 38 -20.783 -18.574 -8.310 644 1HG ARG 38 2HG ARG 38 -21.566 -16.499 -7.228 645 2HG ARG 38 1HG ARG 38 -21.836 -17.897 -6.186 646 1HD ARG 38 2HD ARG 38 -20.400 -17.119 -4.596 647 2HD ARG 38 1HD ARG 38 -19.197 -16.632 -5.807 648 HE ARG 38 HE ARG 38 -21.183 -14.888 -4.660 649 1HH1 ARG 38 2HH1 ARG 38 -22.455 -14.450 -7.062 650 2HH1 ARG 38 1HH1 ARG 38 -21.404 -13.459 -8.017 651 1HH2 ARG 38 1HH2 ARG 38 -18.586 -14.163 -6.124 652 2HH2 ARG 38 2HH2 ARG 38 -19.213 -13.296 -7.487 653 H LYS 39 H LYS 39 -20.161 -21.046 -8.341 654 HA LYS 39 HA LYS 39 -22.518 -22.062 -7.058 655 1HB LYS 39 2HB LYS 39 -22.015 -22.346 -9.432 656 2HB LYS 39 1HB LYS 39 -20.560 -23.264 -9.042 657 1HG LYS 39 2HG LYS 39 -23.083 -24.263 -7.840 658 2HG LYS 39 1HG LYS 39 -22.940 -24.437 -9.588 659 1HD LYS 39 2HD LYS 39 -20.712 -25.523 -9.258 660 2HD LYS 39 1HD LYS 39 -20.969 -25.444 -7.515 661 1HE LYS 39 2HE LYS 39 -22.227 -27.325 -7.581 662 2HE LYS 39 1HE LYS 39 -23.296 -26.600 -8.798 663 1HZ LYS 39 2HZ LYS 39 -20.632 -27.804 -9.342 664 2HZ LYS 39 1HZ LYS 39 -22.127 -28.532 -9.693 665 3HZ LYS 39 3HZ LYS 39 -21.667 -27.114 -10.501 666 H ARG 40 H ARG 40 -19.106 -23.088 -6.968 667 HA ARG 40 HA ARG 40 -19.785 -25.191 -4.966 668 1HB ARG 40 2HB ARG 40 -17.227 -24.529 -6.457 669 2HB ARG 40 1HB ARG 40 -17.518 -25.985 -5.503 670 1HG ARG 40 2HG ARG 40 -19.395 -26.566 -7.022 671 2HG ARG 40 1HG ARG 40 -19.021 -25.141 -7.992 672 1HD ARG 40 2HD ARG 40 -17.822 -26.790 -9.149 673 2HD ARG 40 1HD ARG 40 -16.580 -26.217 -8.017 674 HE ARG 40 HE ARG 40 -18.222 -28.683 -7.637 675 1HH1 ARG 40 2HH1 ARG 40 -17.658 -28.008 -4.981 676 2HH1 ARG 40 1HH1 ARG 40 -16.024 -28.507 -4.698 677 1HH2 ARG 40 1HH2 ARG 40 -15.224 -28.718 -8.065 678 2HH2 ARG 40 2HH2 ARG 40 -14.646 -28.908 -6.444 679 H HIS 41 H HIS 41 -19.163 -21.989 -4.843 680 HA HIS 41 HA HIS 41 -18.260 -20.553 -3.222 681 1HB HIS 41 2HB HIS 41 -18.957 -23.134 -1.876 682 2HB HIS 41 1HB HIS 41 -18.077 -21.925 -0.945 683 HD1 HIS 41 HD1 HIS 41 -21.419 -22.713 -2.304 684 HD2 HIS 41 HD2 HIS 41 -19.495 -19.376 -0.710 685 HE1 HIS 41 HE1 HIS 41 -23.233 -21.032 -1.760 686 H ILE 42 H ILE 42 -16.264 -21.091 -4.805 687 HA ILE 42 HA ILE 42 -14.060 -22.368 -3.243 688 HB ILE 42 HB ILE 42 -14.199 -21.506 -6.151 689 1HG1 ILE 42 2HG1 ILE 42 -14.631 -24.267 -4.966 690 2HG1 ILE 42 1HG1 ILE 42 -15.928 -23.216 -5.534 691 1HG2 ILE 42 2HG2 ILE 42 -11.929 -21.832 -5.112 692 2HG2 ILE 42 1HG2 ILE 42 -12.383 -23.502 -4.772 693 3HG2 ILE 42 3HG2 ILE 42 -12.271 -22.941 -6.440 694 1HD1 ILE 42 1HD1 ILE 42 -13.815 -23.452 -7.518 695 2HD1 ILE 42 3HD1 ILE 42 -14.465 -25.032 -7.083 696 3HD1 ILE 42 2HD1 ILE 42 -15.541 -23.771 -7.685 697 H LYS 43 H LYS 43 -12.038 -21.204 -3.057 698 HA LYS 43 HA LYS 43 -12.376 -18.302 -2.752 699 1HB LYS 43 2HB LYS 43 -10.274 -20.379 -2.157 700 2HB LYS 43 1HB LYS 43 -9.890 -18.662 -2.018 701 1HG LYS 43 2HG LYS 43 -11.539 -18.317 -0.341 702 2HG LYS 43 1HG LYS 43 -12.316 -19.864 -0.679 703 1HD LYS 43 2HD LYS 43 -10.334 -21.061 0.144 704 2HD LYS 43 1HD LYS 43 -9.524 -19.525 0.454 705 1HE LYS 43 2HE LYS 43 -11.195 -18.920 2.126 706 2HE LYS 43 1HE LYS 43 -12.136 -20.378 1.754 707 1HZ LYS 43 3HZ LYS 43 -10.210 -21.725 2.331 708 2HZ LYS 43 2HZ LYS 43 -9.323 -20.329 2.717 709 3HZ LYS 43 1HZ LYS 43 -10.676 -20.763 3.647 710 H CYS 44 H CYS 44 -12.647 -17.833 -5.110 711 HA CYS 44 HA CYS 44 -10.715 -18.446 -7.100 712 1HB CYS 44 2HB CYS 44 -13.019 -17.548 -7.426 713 2HB CYS 44 1HB CYS 44 -12.476 -15.994 -6.794 714 HA PRO 45 HA PRO 45 -7.314 -15.919 -5.620 715 1HB PRO 45 2HB PRO 45 -6.180 -15.807 -8.261 716 2HB PRO 45 1HB PRO 45 -5.675 -16.817 -6.903 717 1HG PRO 45 2HG PRO 45 -6.986 -17.651 -9.303 718 2HG PRO 45 1HG PRO 45 -6.532 -18.648 -7.918 719 1HD PRO 45 2HD PRO 45 -9.185 -17.807 -8.723 720 2HD PRO 45 1HD PRO 45 -8.730 -18.873 -7.371 721 H GLY 46 H GLY 46 -8.761 -15.149 -8.802 722 1HA GLY 46 2HA GLY 46 -9.946 -12.947 -8.975 723 2HA GLY 46 1HA GLY 46 -8.614 -12.257 -8.047 724 H GLY 47 H GLY 47 -9.410 -13.783 -11.147 725 1HA GLY 47 2HA GLY 47 -7.537 -12.001 -12.517 726 2HA GLY 47 1HA GLY 47 -7.052 -13.697 -12.549 727 H ASN 48 H ASN 48 -7.584 -12.546 -14.961 728 HA ASN 48 HA ASN 48 -10.164 -13.855 -15.721 729 1HB ASN 48 2HB ASN 48 -9.341 -11.036 -15.878 730 2HB ASN 48 1HB ASN 48 -9.988 -11.673 -17.390 731 1HD2 ASN 48 2HD2 ASN 48 -13.116 -12.661 -15.628 732 2HD2 ASN 48 1HD2 ASN 48 -11.916 -13.479 -16.510 733 HA PRO 49 HA PRO 49 -10.340 -15.711 -16.356 734 1HB PRO 49 2HB PRO 49 -8.610 -17.998 -16.480 735 2HB PRO 49 1HB PRO 49 -10.100 -17.726 -17.378 736 1HG PRO 49 2HG PRO 49 -7.452 -17.758 -18.412 737 2HG PRO 49 1HG PRO 49 -8.935 -17.356 -19.278 738 1HD PRO 49 2HD PRO 49 -6.807 -15.567 -18.392 739 2HD PRO 49 1HD PRO 49 -8.205 -15.201 -19.432 740 H CYS 50 H CYS 50 -10.012 -17.167 -14.302 741 HA CYS 50 HA CYS 50 -8.042 -15.833 -12.545 742 1HB CYS 50 2HB CYS 50 -9.365 -16.941 -10.782 743 2HB CYS 50 1HB CYS 50 -10.433 -16.118 -11.916 744 H GLN 51 H GLN 51 -8.133 -18.457 -10.871 745 HA GLN 51 HA GLN 51 -6.210 -20.032 -12.541 746 1HB GLN 51 2HB GLN 51 -5.178 -18.397 -10.882 747 2HB GLN 51 1HB GLN 51 -5.883 -19.385 -9.602 748 1HG GLN 51 2HG GLN 51 -3.950 -20.568 -9.731 749 2HG GLN 51 1HG GLN 51 -4.678 -21.288 -11.167 750 1HE2 GLN 51 2HE2 GLN 51 -2.378 -19.791 -13.376 751 2HE2 GLN 51 1HE2 GLN 51 -3.664 -20.879 -13.168 752 H LYS 52 H LYS 52 -8.341 -20.001 -9.683 753 HA LYS 52 HA LYS 52 -8.195 -22.749 -9.000 754 1HB LYS 52 2HB LYS 52 -10.135 -20.496 -8.699 755 2HB LYS 52 1HB LYS 52 -10.692 -22.120 -8.283 756 1HG LYS 52 2HG LYS 52 -8.044 -21.164 -7.239 757 2HG LYS 52 1HG LYS 52 -9.528 -20.633 -6.448 758 1HD LYS 52 2HD LYS 52 -10.196 -23.111 -6.389 759 2HD LYS 52 1HD LYS 52 -8.517 -23.458 -6.805 760 1HE LYS 52 2HE LYS 52 -7.768 -22.184 -4.803 761 2HE LYS 52 1HE LYS 52 -9.467 -21.908 -4.368 762 1HZ LYS 52 2HZ LYS 52 -8.402 -24.615 -4.922 763 2HZ LYS 52 1HZ LYS 52 -8.370 -23.944 -3.362 764 3HZ LYS 52 3HZ LYS 52 -9.853 -24.196 -4.145 765 H CYS 53 H CYS 53 -9.947 -21.149 -11.590 766 HA CYS 53 HA CYS 53 -11.447 -23.633 -12.236 767 1HB CYS 53 2HB CYS 53 -11.405 -20.762 -13.077 768 2HB CYS 53 1HB CYS 53 -12.287 -21.948 -14.027 769 H VAL 54 H VAL 54 -9.019 -21.420 -13.590 770 HA VAL 54 HA VAL 54 -8.713 -22.727 -16.111 771 HB VAL 54 HB VAL 54 -6.489 -21.351 -14.573 772 1HG1 VAL 54 3HG1 VAL 54 -6.640 -22.392 -17.130 773 2HG1 VAL 54 2HG1 VAL 54 -6.994 -20.681 -17.388 774 3HG1 VAL 54 1HG1 VAL 54 -5.490 -21.164 -16.598 775 1HG2 VAL 54 3HG2 VAL 54 -8.924 -20.120 -15.877 776 2HG2 VAL 54 2HG2 VAL 54 -8.291 -19.818 -14.259 777 3HG2 VAL 54 1HG2 VAL 54 -7.421 -19.225 -15.670 778 H THR 55 H THR 55 -7.441 -23.292 -12.910 779 HA THR 55 HA THR 55 -5.441 -25.241 -13.676 780 HB THR 55 HB THR 55 -5.462 -23.819 -11.619 781 HG1 THR 55 HG1 THR 55 -4.226 -25.679 -11.576 782 1HG2 THR 55 2HG2 THR 55 -7.971 -24.174 -11.319 783 2HG2 THR 55 1HG2 THR 55 -7.556 -25.711 -10.566 784 3HG2 THR 55 3HG2 THR 55 -6.992 -24.197 -9.855 785 H SER 56 H SER 56 -8.803 -25.391 -12.504 786 HA SER 56 HA SER 56 -8.786 -28.332 -12.452 787 1HB SER 56 2HB SER 56 -10.558 -26.068 -11.730 788 2HB SER 56 1HB SER 56 -11.395 -27.530 -12.247 789 HG SER 56 HG SER 56 -9.956 -28.637 -10.715 790 H ASN 57 H ASN 57 -11.295 -26.362 -13.964 791 HA ASN 57 HA ASN 57 -10.729 -26.687 -16.671 792 1HB ASN 57 2HB ASN 57 -12.278 -28.714 -17.102 793 2HB ASN 57 1HB ASN 57 -10.676 -29.046 -16.463 794 1HD2 ASN 57 2HD2 ASN 57 -11.983 -30.663 -13.628 795 2HD2 ASN 57 1HD2 ASN 57 -10.691 -30.465 -14.713 796 H ALA 58 H ALA 58 -12.083 -24.903 -14.950 797 HA ALA 58 HA ALA 58 -14.907 -25.067 -15.961 798 1HB ALA 58 1HB ALA 58 -14.310 -25.173 -13.447 799 2HB ALA 58 3HB ALA 58 -13.915 -23.462 -13.602 800 3HB ALA 58 2HB ALA 58 -15.555 -24.022 -13.929 801 H ILE 59 H ILE 59 -15.883 -22.736 -16.087 802 HA ILE 59 HA ILE 59 -14.055 -21.099 -17.739 803 HB ILE 59 HB ILE 59 -17.015 -20.802 -17.146 804 1HG1 ILE 59 2HG1 ILE 59 -16.697 -21.825 -19.725 805 2HG1 ILE 59 1HG1 ILE 59 -15.556 -22.759 -18.753 806 1HG2 ILE 59 1HG2 ILE 59 -15.388 -18.985 -18.287 807 2HG2 ILE 59 3HG2 ILE 59 -15.761 -19.958 -19.709 808 3HG2 ILE 59 2HG2 ILE 59 -17.064 -19.203 -18.791 809 1HD1 ILE 59 2HD1 ILE 59 -17.877 -22.562 -17.181 810 2HD1 ILE 59 1HD1 ILE 59 -18.452 -22.907 -18.813 811 3HD1 ILE 59 3HD1 ILE 59 -17.298 -23.992 -18.036 812 H CYS 60 H CYS 60 -13.438 -19.055 -17.137 813 HA CYS 60 HA CYS 60 -14.111 -18.198 -14.354 814 1HB CYS 60 2HB CYS 60 -11.827 -17.170 -16.047 815 2HB CYS 60 1HB CYS 60 -11.944 -17.249 -14.296 816 H GLU 61 H GLU 61 -15.491 -16.452 -14.232 817 HA GLU 61 HA GLU 61 -15.213 -14.224 -16.147 818 1HB GLU 61 2HB GLU 61 -17.601 -14.470 -16.861 819 2HB GLU 61 1HB GLU 61 -16.597 -15.832 -17.357 820 1HG GLU 61 2HG GLU 61 -17.432 -17.214 -15.594 821 2HG GLU 61 1HG GLU 61 -18.195 -15.842 -14.790 822 H TYR 62 H TYR 62 -16.325 -12.324 -15.424 823 HA TYR 62 HA TYR 62 -17.478 -12.505 -12.658 824 1HB TYR 62 2HB TYR 62 -15.777 -10.326 -13.921 825 2HB TYR 62 1HB TYR 62 -16.361 -10.343 -12.257 826 HD1 TYR 62 HD2 TYR 62 -15.995 -13.164 -11.473 827 HD2 TYR 62 HD1 TYR 62 -13.426 -10.566 -13.775 828 HE1 TYR 62 HE2 TYR 62 -14.015 -14.510 -10.782 829 HE2 TYR 62 HE1 TYR 62 -11.445 -11.911 -13.081 830 HH TYR 62 HH TYR 62 -11.526 -14.141 -10.547 831 H LEU 63 H LEU 63 -18.000 -9.544 -12.854 832 HA LEU 63 HA LEU 63 -20.643 -9.700 -14.062 833 1HB LEU 63 2HB LEU 63 -19.186 -8.109 -12.212 834 2HB LEU 63 1HB LEU 63 -19.751 -7.024 -13.483 835 HG LEU 63 HG LEU 63 -21.552 -9.031 -12.110 836 1HD1 LEU 63 1HD1 LEU 63 -20.405 -6.785 -10.921 837 2HD1 LEU 63 3HD1 LEU 63 -21.985 -6.218 -11.462 838 3HD1 LEU 63 2HD1 LEU 63 -21.870 -7.608 -10.384 839 1HD2 LEU 63 2HD2 LEU 63 -21.943 -7.799 -14.460 840 2HD2 LEU 63 1HD2 LEU 63 -23.265 -8.078 -13.327 841 3HD2 LEU 63 3HD2 LEU 63 -22.480 -6.500 -13.394 842 H GLU 64 H GLU 64 -21.290 -8.878 -16.052 843 HA GLU 64 HA GLU 64 -19.306 -7.332 -17.668 844 1HB GLU 64 2HB GLU 64 -20.858 -9.791 -18.552 845 2HB GLU 64 1HB GLU 64 -19.752 -8.856 -19.559 846 1HG GLU 64 2HG GLU 64 -17.937 -9.351 -17.870 847 2HG GLU 64 1HG GLU 64 -19.061 -10.460 -17.085 848 HA PRO 65 HA PRO 65 -23.601 -5.510 -17.708 849 1HB PRO 65 2HB PRO 65 -22.312 -2.967 -18.088 850 2HB PRO 65 1HB PRO 65 -23.194 -3.539 -16.670 851 1HG PRO 65 2HG PRO 65 -20.368 -3.145 -16.937 852 2HG PRO 65 1HG PRO 65 -21.254 -3.736 -15.528 853 1HD PRO 65 2HD PRO 65 -19.537 -5.256 -17.296 854 2HD PRO 65 1HD PRO 65 -20.434 -5.836 -15.871 855 H SER 66 H SER 66 -20.923 -4.062 -19.624 856 HA SER 66 HA SER 66 -22.510 -4.649 -22.100 857 1HB SER 66 2HB SER 66 -21.481 -2.325 -22.786 858 2HB SER 66 1HB SER 66 -22.911 -2.368 -21.758 859 HG SER 66 HG SER 66 -20.547 -1.309 -21.233 860 H LYS 67 H LYS 67 -19.358 -3.113 -21.361 861 HA LYS 67 HA LYS 67 -17.887 -5.372 -22.554 862 1HB LYS 67 2HB LYS 67 -16.978 -3.921 -24.368 863 2HB LYS 67 1HB LYS 67 -18.725 -4.129 -24.500 864 1HG LYS 67 2HG LYS 67 -18.883 -1.958 -23.092 865 2HG LYS 67 1HG LYS 67 -17.190 -1.722 -23.528 866 1HD LYS 67 2HD LYS 67 -17.796 -1.902 -25.926 867 2HD LYS 67 1HD LYS 67 -19.490 -2.080 -25.471 868 1HE LYS 67 2HE LYS 67 -19.625 0.187 -25.556 869 2HE LYS 67 1HE LYS 67 -18.621 0.212 -24.093 870 1HZ LYS 67 3HZ LYS 67 -17.523 -0.040 -26.839 871 2HZ LYS 67 2HZ LYS 67 -17.645 1.439 -26.012 872 3HZ LYS 67 1HZ LYS 67 -16.652 0.202 -25.405 873 H LYS 68 H LYS 68 -16.026 -5.513 -21.366 874 HA LYS 68 HA LYS 68 -15.139 -3.210 -19.739 875 1HB LYS 68 2HB LYS 68 -14.378 -6.128 -20.006 876 2HB LYS 68 1HB LYS 68 -13.512 -5.024 -18.937 877 1HG LYS 68 2HG LYS 68 -15.920 -4.433 -18.061 878 2HG LYS 68 1HG LYS 68 -16.347 -5.997 -18.754 879 1HD LYS 68 2HD LYS 68 -13.874 -5.986 -17.133 880 2HD LYS 68 1HD LYS 68 -15.359 -5.678 -16.232 881 1HE LYS 68 2HE LYS 68 -15.930 -7.865 -16.355 882 2HE LYS 68 1HE LYS 68 -15.772 -7.839 -18.122 883 1HZ LYS 68 2HZ LYS 68 -13.282 -7.806 -17.679 884 2HZ LYS 68 1HZ LYS 68 -13.664 -8.301 -16.099 885 3HZ LYS 68 3HZ LYS 68 -14.088 -9.279 -17.417 886 H ILE 69 H ILE 69 -13.436 -1.911 -20.325 887 HA ILE 69 HA ILE 69 -12.217 -2.007 -22.891 888 HB ILE 69 HB ILE 69 -12.397 -0.049 -21.366 889 1HG1 ILE 69 2HG1 ILE 69 -10.142 0.857 -21.801 890 2HG1 ILE 69 1HG1 ILE 69 -9.552 -0.770 -22.132 891 1HG2 ILE 69 1HG2 ILE 69 -11.627 -1.614 -19.389 892 2HG2 ILE 69 3HG2 ILE 69 -10.021 -1.052 -19.851 893 3HG2 ILE 69 2HG2 ILE 69 -11.254 0.106 -19.356 894 1HD1 ILE 69 2HD1 ILE 69 -11.941 -0.185 -23.682 895 2HD1 ILE 69 1HD1 ILE 69 -10.674 1.004 -23.989 896 3HD1 ILE 69 3HD1 ILE 69 -10.353 -0.712 -24.240 897 H VAL 70 H VAL 70 -9.844 -2.321 -23.280 898 HA VAL 70 HA VAL 70 -8.120 -3.781 -21.542 899 HB VAL 70 HB VAL 70 -9.788 -5.544 -21.752 900 1HG1 VAL 70 1HG1 VAL 70 -9.956 -4.499 -24.437 901 2HG1 VAL 70 3HG1 VAL 70 -9.690 -6.241 -24.482 902 3HG1 VAL 70 2HG1 VAL 70 -11.066 -5.582 -23.597 903 1HG2 VAL 70 2HG2 VAL 70 -7.093 -5.796 -22.483 904 2HG2 VAL 70 1HG2 VAL 70 -8.171 -7.097 -21.971 905 3HG2 VAL 70 3HG2 VAL 70 -7.979 -6.736 -23.687 906 H VAL 71 H VAL 71 -6.547 -2.452 -22.464 907 HA VAL 71 HA VAL 71 -5.592 -3.238 -25.141 908 HB VAL 71 HB VAL 71 -6.496 -0.433 -24.403 909 1HG1 VAL 71 1HG1 VAL 71 -4.823 -1.508 -26.659 910 2HG1 VAL 71 3HG1 VAL 71 -5.881 -0.125 -26.938 911 3HG1 VAL 71 2HG1 VAL 71 -4.608 -0.029 -25.721 912 1HG2 VAL 71 1HG2 VAL 71 -7.484 -2.547 -26.326 913 2HG2 VAL 71 3HG2 VAL 71 -8.390 -1.712 -25.065 914 3HG2 VAL 71 2HG2 VAL 71 -7.902 -0.845 -26.520 915 H SER 72 H SER 72 -4.895 -0.222 -23.397 916 HA SER 72 HA SER 72 -2.290 -1.328 -22.461 917 1HB SER 72 2HB SER 72 -2.182 -0.409 -24.828 918 2HB SER 72 1HB SER 72 -2.586 1.169 -24.153 919 HG SER 72 HG SER 72 -0.235 -0.264 -24.071 920 H THR 73 H THR 73 -2.002 -0.602 -20.376 921 HA THR 73 HA THR 73 -3.680 1.441 -19.192 922 HB THR 73 HB THR 73 -2.640 -0.512 -18.018 923 HG1 THR 73 HG1 THR 73 -2.863 0.710 -16.352 924 1HG2 THR 73 2HG2 THR 73 -0.454 -0.383 -19.233 925 2HG2 THR 73 1HG2 THR 73 -0.067 1.062 -18.299 926 3HG2 THR 73 3HG2 THR 73 -0.269 -0.486 -17.482 927 H LYS 74 H LYS 74 -0.399 1.411 -20.562 928 HA LYS 74 HA LYS 74 0.601 3.890 -19.674 929 1HB LYS 74 2HB LYS 74 1.443 1.969 -21.330 930 2HB LYS 74 1HB LYS 74 0.864 3.102 -22.549 931 1HG LYS 74 2HG LYS 74 2.535 4.225 -20.354 932 2HG LYS 74 1HG LYS 74 3.356 3.232 -21.558 933 1HD LYS 74 2HD LYS 74 1.683 4.854 -23.081 934 2HD LYS 74 1HD LYS 74 2.274 5.932 -21.817 935 1HE LYS 74 2HE LYS 74 4.539 5.604 -22.427 936 2HE LYS 74 1HE LYS 74 4.165 4.130 -23.343 937 1HZ LYS 74 3HZ LYS 74 2.655 5.622 -24.713 938 2HZ LYS 74 2HZ LYS 74 3.486 6.930 -24.018 939 3HZ LYS 74 1HZ LYS 74 4.324 5.792 -24.963 940 H TYR 75 H TYR 75 -1.859 3.147 -22.056 941 HA TYR 75 HA TYR 75 -2.110 5.859 -23.098 942 1HB TYR 75 2HB TYR 75 -2.905 4.371 -24.652 943 2HB TYR 75 1HB TYR 75 -3.232 3.146 -23.437 944 HD1 TYR 75 HD1 TYR 75 -4.586 6.635 -23.921 945 HD2 TYR 75 HD2 TYR 75 -5.436 2.404 -23.692 946 HE1 TYR 75 HE1 TYR 75 -7.027 7.112 -24.099 947 HE2 TYR 75 HE2 TYR 75 -7.869 2.883 -23.867 948 HH TYR 75 HH TYR 75 -9.144 5.594 -24.985 949 H LEU 76 H LEU 76 -3.674 3.863 -20.617 950 HA LEU 76 HA LEU 76 -5.786 5.721 -19.953 951 1HB LEU 76 2HB LEU 76 -4.450 3.310 -18.761 952 2HB LEU 76 1HB LEU 76 -5.525 4.265 -17.740 953 HG LEU 76 HG LEU 76 -7.048 4.082 -19.961 954 1HD1 LEU 76 1HD1 LEU 76 -5.390 2.680 -21.124 955 2HD1 LEU 76 3HD1 LEU 76 -5.488 1.495 -19.823 956 3HD1 LEU 76 2HD1 LEU 76 -6.890 1.797 -20.845 957 1HD2 LEU 76 2HD2 LEU 76 -6.824 2.614 -17.418 958 2HD2 LEU 76 1HD2 LEU 76 -8.233 3.382 -18.151 959 3HD2 LEU 76 3HD2 LEU 76 -7.745 1.766 -18.661 960 H GLN 77 H GLN 77 -2.451 5.246 -18.852 961 HA GLN 77 HA GLN 77 -2.559 7.052 -16.606 962 1HB GLN 77 2HB GLN 77 -0.674 5.404 -18.084 963 2HB GLN 77 1HB GLN 77 0.055 6.946 -17.643 964 1HG GLN 77 2HG GLN 77 0.332 6.181 -15.546 965 2HG GLN 77 1HG GLN 77 -1.420 6.067 -15.384 966 1HE2 GLN 77 2HE2 GLN 77 -1.433 2.549 -15.528 967 2HE2 GLN 77 1HE2 GLN 77 -2.303 3.978 -15.239 968 H GLN 78 H GLN 78 -1.402 7.444 -19.979 969 HA GLN 78 HA GLN 78 -0.576 10.148 -19.827 970 1HB GLN 78 2HB GLN 78 -0.310 8.470 -21.711 971 2HB GLN 78 1HB GLN 78 -1.997 8.770 -22.130 972 1HG GLN 78 2HG GLN 78 -0.677 10.208 -23.530 973 2HG GLN 78 1HG GLN 78 -1.404 11.234 -22.293 974 1HE2 GLN 78 2HE2 GLN 78 2.632 10.445 -22.059 975 2HE2 GLN 78 1HE2 GLN 78 1.620 9.342 -22.862 976 H LEU 79 H LEU 79 -3.775 8.725 -19.980 977 HA LEU 79 HA LEU 79 -5.179 11.210 -20.619 978 1HB LEU 79 2HB LEU 79 -5.659 8.445 -20.572 979 2HB LEU 79 1HB LEU 79 -6.716 9.109 -19.324 980 HG LEU 79 HG LEU 79 -7.572 10.769 -20.961 981 1HD1 LEU 79 1HD1 LEU 79 -5.339 9.691 -22.502 982 2HD1 LEU 79 3HD1 LEU 79 -6.844 9.678 -23.423 983 3HD1 LEU 79 2HD1 LEU 79 -6.241 11.188 -22.739 984 1HD2 LEU 79 2HD2 LEU 79 -7.996 7.926 -20.964 985 2HD2 LEU 79 1HD2 LEU 79 -9.156 9.208 -21.310 986 3HD2 LEU 79 3HD2 LEU 79 -8.177 8.530 -22.611 987 H GLN 80 H GLN 80 -4.523 9.283 -17.718 988 HA GLN 80 HA GLN 80 -6.118 10.827 -15.898 989 1HB GLN 80 2HB GLN 80 -4.328 8.574 -15.957 990 2HB GLN 80 1HB GLN 80 -3.918 9.607 -14.587 991 1HG GLN 80 2HG GLN 80 -5.851 9.123 -13.495 992 2HG GLN 80 1HG GLN 80 -6.811 9.215 -14.972 993 1HE2 GLN 80 2HE2 GLN 80 -5.779 5.726 -15.824 994 2HE2 GLN 80 1HE2 GLN 80 -5.604 7.242 -16.565 995 H LYS 81 H LYS 81 -2.541 10.761 -16.330 996 HA LYS 81 HA LYS 81 -1.950 12.981 -14.665 997 1HB LYS 81 2HB LYS 81 -0.664 11.883 -17.187 998 2HB LYS 81 1HB LYS 81 0.102 13.102 -16.167 999 1HG LYS 81 2HG LYS 81 -0.276 11.461 -14.220 1000 2HG LYS 81 1HG LYS 81 -0.601 10.251 -15.461 1001 1HD LYS 81 2HD LYS 81 1.883 11.934 -15.635 1002 2HD LYS 81 1HD LYS 81 1.847 10.534 -14.563 1003 1HE LYS 81 2HE LYS 81 1.979 9.078 -16.306 1004 2HE LYS 81 1HE LYS 81 0.756 9.966 -17.237 1005 1HZ LYS 81 1HZ LYS 81 3.499 11.001 -16.804 1006 2HZ LYS 81 3HZ LYS 81 3.092 10.050 -18.148 1007 3HZ LYS 81 2HZ LYS 81 2.337 11.554 -17.913 1008 H ASP 82 H ASP 82 -3.036 12.844 -18.034 1009 HA ASP 82 HA ASP 82 -2.607 15.550 -18.784 1010 1HB ASP 82 2HB ASP 82 -4.064 13.217 -19.646 1011 2HB ASP 82 1HB ASP 82 -5.102 14.632 -19.801 1012 H LEU 83 H LEU 83 -5.179 14.005 -16.895 1013 HA LEU 83 HA LEU 83 -6.897 16.298 -16.656 1014 1HB LEU 83 2HB LEU 83 -6.639 13.592 -15.668 1015 2HB LEU 83 1HB LEU 83 -7.082 14.674 -14.345 1016 HG LEU 83 HG LEU 83 -8.502 15.033 -16.940 1017 1HD1 LEU 83 2HD1 LEU 83 -8.465 12.527 -15.420 1018 2HD1 LEU 83 1HD1 LEU 83 -10.087 13.206 -15.568 1019 3HD1 LEU 83 3HD1 LEU 83 -9.139 12.860 -17.015 1020 1HD2 LEU 83 3HD2 LEU 83 -8.718 16.203 -14.520 1021 2HD2 LEU 83 2HD2 LEU 83 -10.099 16.007 -15.600 1022 3HD2 LEU 83 1HD2 LEU 83 -9.841 14.863 -14.281 1023 H ASN 84 H ASN 84 -4.328 14.969 -14.548 1024 HA ASN 84 HA ASN 84 -4.447 16.982 -12.526 1025 1HB ASN 84 2HB ASN 84 -2.984 14.709 -13.162 1026 2HB ASN 84 1HB ASN 84 -1.777 15.990 -13.214 1027 1HD2 ASN 84 2HD2 ASN 84 -1.778 16.483 -9.711 1028 2HD2 ASN 84 1HD2 ASN 84 -1.163 16.977 -11.215 1029 H ASP 85 H ASP 85 -3.133 16.910 -15.772 1030 HA ASP 85 HA ASP 85 -1.468 19.290 -15.514 1031 1HB ASP 85 2HB ASP 85 -1.448 17.329 -17.239 1032 2HB ASP 85 1HB ASP 85 -2.733 18.228 -18.047 1033 H LYS 86 H LYS 86 -4.856 18.661 -15.920 1034 HA LYS 86 HA LYS 86 -5.544 21.257 -17.098 1035 1HB LYS 86 2HB LYS 86 -6.982 19.292 -17.365 1036 2HB LYS 86 1HB LYS 86 -7.123 19.116 -15.625 1037 1HG LYS 86 2HG LYS 86 -8.215 21.333 -15.499 1038 2HG LYS 86 1HG LYS 86 -8.122 21.466 -17.253 1039 1HD LYS 86 2HD LYS 86 -10.319 20.654 -16.784 1040 2HD LYS 86 1HD LYS 86 -9.404 19.257 -17.351 1041 1HE LYS 86 2HE LYS 86 -10.083 18.231 -15.434 1042 2HE LYS 86 1HE LYS 86 -8.927 19.287 -14.596 1043 1HZ LYS 86 3HZ LYS 86 -10.732 21.031 -14.696 1044 2HZ LYS 86 2HZ LYS 86 -11.802 19.780 -15.119 1045 3HZ LYS 86 1HZ LYS 86 -11.003 19.748 -13.620 1046 H THR 87 H THR 87 -5.186 19.785 -13.957 1047 HA THR 87 HA THR 87 -6.337 21.951 -12.439 1048 HB THR 87 HB THR 87 -4.772 19.417 -12.016 1049 HG1 THR 87 HG1 THR 87 -7.109 20.521 -10.846 1050 1HG2 THR 87 3HG2 THR 87 -4.961 21.660 -10.007 1051 2HG2 THR 87 2HG2 THR 87 -4.839 19.978 -9.494 1052 3HG2 THR 87 1HG2 THR 87 -3.553 20.701 -10.459 1053 H GLU 88 H GLU 88 -3.029 20.904 -13.293 1054 HA GLU 88 HA GLU 88 -1.633 23.073 -12.020 1055 1HB GLU 88 2HB GLU 88 -0.574 20.976 -12.746 1056 2HB GLU 88 1HB GLU 88 -0.994 21.324 -14.423 1057 1HG GLU 88 2HG GLU 88 0.325 23.617 -13.709 1058 2HG GLU 88 1HG GLU 88 1.199 22.404 -12.773 1059 H GLU 89 H GLU 89 -3.130 22.622 -15.190 1060 HA GLU 89 HA GLU 89 -2.174 25.098 -16.363 1061 1HB GLU 89 2HB GLU 89 -4.179 22.960 -16.897 1062 2HB GLU 89 1HB GLU 89 -4.466 24.511 -17.683 1063 1HG GLU 89 2HG GLU 89 -1.847 22.990 -17.813 1064 2HG GLU 89 1HG GLU 89 -3.081 22.955 -19.073 1065 H ASN 90 H ASN 90 -5.237 24.085 -14.841 1066 HA ASN 90 HA ASN 90 -6.648 26.533 -14.894 1067 1HB ASN 90 2HB ASN 90 -6.583 24.002 -13.373 1068 2HB ASN 90 1HB ASN 90 -7.294 25.343 -12.482 1069 1HD2 ASN 90 2HD2 ASN 90 -9.254 23.770 -15.695 1070 2HD2 ASN 90 1HD2 ASN 90 -7.678 23.267 -15.314 1071 H ASN 91 H ASN 91 -3.926 25.474 -12.998 1072 HA ASN 91 HA ASN 91 -4.093 27.606 -10.992 1073 1HB ASN 91 2HB ASN 91 -2.397 25.261 -11.715 1074 2HB ASN 91 1HB ASN 91 -1.622 26.525 -10.764 1075 1HD2 ASN 91 2HD2 ASN 91 -4.777 24.467 -9.102 1076 2HD2 ASN 91 1HD2 ASN 91 -4.659 24.576 -10.792 1077 H ARG 92 H ARG 92 -2.149 26.862 -13.889 1078 HA ARG 92 HA ARG 92 -0.461 29.206 -13.717 1079 1HB ARG 92 2HB ARG 92 0.068 27.144 -14.969 1080 2HB ARG 92 1HB ARG 92 -1.298 27.452 -16.041 1081 1HG ARG 92 2HG ARG 92 -0.244 29.194 -17.122 1082 2HG ARG 92 1HG ARG 92 0.713 29.630 -15.705 1083 1HD ARG 92 2HD ARG 92 1.654 27.097 -16.261 1084 2HD ARG 92 1HD ARG 92 1.364 27.759 -17.882 1085 HE ARG 92 HE ARG 92 2.571 29.846 -16.496 1086 1HH1 ARG 92 2HH1 ARG 92 3.358 27.017 -18.161 1087 2HH1 ARG 92 1HH1 ARG 92 5.042 27.047 -17.754 1088 1HH2 ARG 92 1HH2 ARG 92 4.733 29.704 -15.548 1089 2HH2 ARG 92 2HH2 ARG 92 5.820 28.569 -16.275 1090 H LEU 93 H LEU 93 -3.154 28.422 -15.958 1091 HA LEU 93 HA LEU 93 -3.474 30.914 -17.193 1092 1HB LEU 93 2HB LEU 93 -5.477 28.826 -16.278 1093 2HB LEU 93 1HB LEU 93 -5.899 30.153 -17.362 1094 HG LEU 93 HG LEU 93 -3.577 28.325 -17.969 1095 1HD1 LEU 93 3HD1 LEU 93 -6.264 27.496 -17.768 1096 2HD1 LEU 93 2HD1 LEU 93 -5.965 27.721 -19.492 1097 3HD1 LEU 93 1HD1 LEU 93 -4.943 26.632 -18.554 1098 1HD2 LEU 93 3HD2 LEU 93 -4.219 30.637 -19.111 1099 2HD2 LEU 93 2HD2 LEU 93 -3.667 29.276 -20.087 1100 3HD2 LEU 93 1HD2 LEU 93 -5.390 29.633 -19.966 1101 H LYS 94 H LYS 94 -4.878 29.793 -14.109 1102 HA LYS 94 HA LYS 94 -6.416 32.063 -13.437 1103 1HB LYS 94 2HB LYS 94 -5.052 29.809 -12.082 1104 2HB LYS 94 1HB LYS 94 -5.421 31.190 -11.047 1105 1HG LYS 94 2HG LYS 94 -7.782 31.092 -12.124 1106 2HG LYS 94 1HG LYS 94 -7.323 29.465 -12.624 1107 1HD LYS 94 2HD LYS 94 -6.777 28.930 -10.248 1108 2HD LYS 94 1HD LYS 94 -7.366 30.527 -9.786 1109 1HE LYS 94 2HE LYS 94 -9.235 28.956 -11.467 1110 2HE LYS 94 1HE LYS 94 -8.960 28.317 -9.835 1111 1HZ LYS 94 2HZ LYS 94 -9.498 31.182 -10.393 1112 2HZ LYS 94 1HZ LYS 94 -10.719 30.074 -9.981 1113 3HZ LYS 94 3HZ LYS 94 -9.474 30.409 -8.880 1114 H ALA 95 H ALA 95 -2.921 31.513 -13.254 1115 HA ALA 95 HA ALA 95 -2.532 34.120 -11.871 1116 1HB ALA 95 3HB ALA 95 -0.976 31.649 -12.470 1117 2HB ALA 95 2HB ALA 95 -0.054 33.143 -12.306 1118 3HB ALA 95 1HB ALA 95 -1.067 32.582 -10.976 1119 H LEU 96 H LEU 96 -1.187 32.531 -14.803 1120 HA LEU 96 HA LEU 96 0.093 34.707 -15.984 1121 1HB LEU 96 2HB LEU 96 -0.358 32.163 -16.645 1122 2HB LEU 96 1HB LEU 96 -1.587 32.897 -17.676 1123 HG LEU 96 HG LEU 96 0.631 34.521 -18.070 1124 1HD1 LEU 96 3HD1 LEU 96 1.440 31.652 -17.627 1125 2HD1 LEU 96 2HD1 LEU 96 2.323 32.668 -18.767 1126 3HD1 LEU 96 1HD1 LEU 96 2.235 33.122 -17.064 1127 1HD2 LEU 96 3HD2 LEU 96 -1.082 33.512 -19.693 1128 2HD2 LEU 96 2HD2 LEU 96 0.568 33.661 -20.296 1129 3HD2 LEU 96 1HD2 LEU 96 -0.034 32.094 -19.753 1130 H LEU 97 H LEU 97 -3.381 33.996 -15.944 1131 HA LEU 97 HA LEU 97 -4.014 36.237 -17.754 1132 1HB LEU 97 2HB LEU 97 -5.677 34.310 -16.100 1133 2HB LEU 97 1HB LEU 97 -6.340 35.447 -17.274 1134 HG LEU 97 HG LEU 97 -4.186 33.483 -18.050 1135 1HD1 LEU 97 3HD1 LEU 97 -7.186 33.066 -17.996 1136 2HD1 LEU 97 2HD1 LEU 97 -6.079 32.064 -18.933 1137 3HD1 LEU 97 1HD1 LEU 97 -5.964 32.099 -17.174 1138 1HD2 LEU 97 2HD2 LEU 97 -4.785 35.469 -19.497 1139 2HD2 LEU 97 1HD2 LEU 97 -5.014 33.907 -20.283 1140 3HD2 LEU 97 3HD2 LEU 97 -6.405 34.789 -19.652 1141 H LEU 98 H LEU 98 -4.779 35.398 -14.345 1142 HA LEU 98 HA LEU 98 -4.393 38.172 -13.490 1143 1HB LEU 98 2HB LEU 98 -6.991 37.116 -14.326 1144 2HB LEU 98 1HB LEU 98 -7.026 37.735 -12.676 1145 HG LEU 98 HG LEU 98 -6.083 39.228 -15.125 1146 1HD1 LEU 98 3HD1 LEU 98 -8.655 38.818 -14.160 1147 2HD1 LEU 98 2HD1 LEU 98 -8.207 40.385 -13.485 1148 3HD1 LEU 98 1HD1 LEU 98 -8.156 40.128 -15.229 1149 1HD2 LEU 98 2HD2 LEU 98 -5.951 39.815 -12.181 1150 2HD2 LEU 98 1HD2 LEU 98 -4.732 40.098 -13.423 1151 3HD2 LEU 98 3HD2 LEU 98 -6.148 41.145 -13.322 1152 H GLU 99 H GLU 99 -6.719 35.891 -12.188 1153 HA GLU 99 HA GLU 99 -4.979 34.583 -10.300 1154 1HB GLU 99 2HB GLU 99 -5.095 37.130 -9.679 1155 2HB GLU 99 1HB GLU 99 -6.692 36.722 -9.053 1156 1HG GLU 99 2HG GLU 99 -5.849 35.429 -7.347 1157 2HG GLU 99 1HG GLU 99 -4.436 34.934 -8.280 1158 H ARG 100 HN ARG 100 -8.225 35.828 -10.990 1159 HA ARG 100 HA ARG 100 -9.354 33.168 -10.272 1160 1HB ARG 100 2HB ARG 100 -9.346 35.352 -8.537 1161 2HB ARG 100 1HB ARG 100 -10.954 35.401 -9.262 1162 1HG ARG 100 2HG ARG 100 -11.378 33.101 -8.619 1163 2HG ARG 100 1HG ARG 100 -9.721 32.914 -8.045 1164 1HD ARG 100 2HD ARG 100 -10.118 34.094 -6.101 1165 2HD ARG 100 1HD ARG 100 -11.320 35.149 -6.869 1166 HE ARG 100 HE ARG 100 -12.470 32.623 -6.976 1167 1HH1 ARG 100 1HH2 ARG 100 -12.815 35.220 -5.084 1168 2HH1 ARG 100 2HH2 ARG 100 -13.127 34.392 -3.595 1169 1HH2 ARG 100 1HH1 ARG 100 -12.161 31.292 -4.813 1170 2HH2 ARG 100 2HH1 ARG 100 -12.757 32.167 -3.442 No H/Q in entry = 1170 Start of MODEL 13 1 1H MET 30 2H MET 30 20.157 -10.728 -26.374 2 2H MET 30 1H MET 30 21.294 -11.435 -25.328 3 3H MET 30 3H MET 30 19.879 -10.745 -24.698 4 HA MET 30 HA MET 30 21.516 -9.137 -24.275 5 1HB MET 30 2HB MET 30 23.120 -10.406 -25.746 6 2HB MET 30 1HB MET 30 22.388 -9.613 -27.142 7 1HG MET 30 2HG MET 30 22.894 -7.400 -25.903 8 2HG MET 30 1HG MET 30 23.971 -8.367 -24.898 9 1HE MET 30 3HE MET 30 25.287 -10.347 -26.171 10 2HE MET 30 2HE MET 30 26.598 -9.767 -27.196 11 3HE MET 30 1HE MET 30 26.370 -9.073 -25.592 12 H SER 31 H SER 31 20.311 -9.197 -27.658 13 HA SER 31 HA SER 31 19.227 -6.437 -27.226 14 1HB SER 31 2HB SER 31 19.192 -6.616 -29.831 15 2HB SER 31 1HB SER 31 20.749 -6.444 -29.025 16 HG SER 31 HG SER 31 21.107 -8.179 -30.224 17 H VAL 32 H VAL 32 17.069 -6.003 -28.111 18 HA VAL 32 HA VAL 32 15.388 -8.449 -28.533 19 HB VAL 32 HB VAL 32 14.863 -6.034 -26.772 20 1HG1 VAL 32 1HG1 VAL 32 13.060 -7.890 -28.067 21 2HG1 VAL 32 3HG1 VAL 32 12.964 -8.067 -26.315 22 3HG1 VAL 32 2HG1 VAL 32 12.677 -6.494 -27.060 23 1HG2 VAL 32 2HG2 VAL 32 15.663 -8.887 -26.300 24 2HG2 VAL 32 1HG2 VAL 32 16.228 -7.422 -25.495 25 3HG2 VAL 32 3HG2 VAL 32 14.638 -8.084 -25.110 26 H ALA 33 H ALA 33 15.928 -7.486 -30.837 27 HA ALA 33 HA ALA 33 14.893 -5.047 -31.795 28 1HB ALA 33 3HB ALA 33 15.697 -7.676 -32.803 29 2HB ALA 33 2HB ALA 33 14.453 -6.926 -33.805 30 3HB ALA 33 1HB ALA 33 15.972 -6.081 -33.505 31 H CYS 34 H CYS 34 12.841 -4.586 -32.884 32 HA CYS 34 HA CYS 34 10.500 -5.305 -31.489 33 1HB CYS 34 2HB CYS 34 10.856 -4.475 -34.386 34 2HB CYS 34 1HB CYS 34 9.367 -4.324 -33.455 35 H LEU 35 H LEU 35 8.560 -6.355 -32.906 36 HA LEU 35 HA LEU 35 9.250 -9.151 -33.230 37 1HB LEU 35 2HB LEU 35 6.878 -7.375 -33.322 38 2HB LEU 35 1HB LEU 35 6.740 -8.877 -34.232 39 HG LEU 35 HG LEU 35 7.730 -9.948 -32.036 40 1HD1 LEU 35 2HD1 LEU 35 6.516 -7.342 -31.073 41 2HD1 LEU 35 1HD1 LEU 35 6.888 -8.710 -30.024 42 3HD1 LEU 35 3HD1 LEU 35 8.187 -7.866 -30.866 43 1HD2 LEU 35 1HD2 LEU 35 5.444 -10.298 -33.036 44 2HD2 LEU 35 3HD2 LEU 35 5.467 -10.377 -31.274 45 3HD2 LEU 35 2HD2 LEU 35 4.875 -8.927 -32.084 46 H SER 36 H SER 36 8.688 -6.436 -35.385 47 HA SER 36 HA SER 36 8.624 -7.989 -37.841 48 1HB SER 36 2HB SER 36 8.409 -5.250 -36.927 49 2HB SER 36 1HB SER 36 9.486 -5.332 -38.317 50 HG SER 36 HG SER 36 7.851 -6.437 -39.435 51 H CYS 37 H CYS 37 11.109 -6.072 -36.135 52 HA CYS 37 HA CYS 37 13.235 -6.556 -38.012 53 1HB CYS 37 2HB CYS 37 13.275 -5.975 -35.029 54 2HB CYS 37 1HB CYS 37 14.618 -5.723 -36.143 55 H ARG 38 H ARG 38 11.938 -8.350 -35.264 56 HA ARG 38 HA ARG 38 14.145 -10.214 -35.002 57 1HB ARG 38 2HB ARG 38 11.273 -10.004 -34.117 58 2HB ARG 38 1HB ARG 38 12.163 -11.502 -33.842 59 1HG ARG 38 2HG ARG 38 13.204 -8.787 -32.998 60 2HG ARG 38 1HG ARG 38 12.264 -9.832 -31.931 61 1HD ARG 38 2HD ARG 38 14.131 -11.605 -32.838 62 2HD ARG 38 1HD ARG 38 15.075 -10.103 -32.817 63 HE ARG 38 HE ARG 38 14.334 -9.811 -30.437 64 1HH1 ARG 38 1HH2 ARG 38 12.349 -11.406 -29.555 65 2HH1 ARG 38 2HH2 ARG 38 13.033 -12.942 -29.136 66 1HH2 ARG 38 2HH1 ARG 38 15.948 -12.433 -30.944 67 2HH2 ARG 38 1HH1 ARG 38 15.071 -13.523 -29.924 68 H LYS 39 H LYS 39 11.084 -10.189 -36.805 69 HA LYS 39 HA LYS 39 11.119 -12.891 -37.731 70 1HB LYS 39 2HB LYS 39 9.165 -11.465 -37.864 71 2HB LYS 39 1HB LYS 39 10.029 -10.293 -38.857 72 1HG LYS 39 2HG LYS 39 10.254 -12.826 -40.143 73 2HG LYS 39 1HG LYS 39 8.558 -12.599 -39.711 74 1HD LYS 39 2HD LYS 39 9.750 -10.151 -40.765 75 2HD LYS 39 1HD LYS 39 9.851 -11.484 -41.916 76 1HE LYS 39 2HE LYS 39 7.672 -11.124 -42.425 77 2HE LYS 39 1HE LYS 39 7.253 -11.619 -40.773 78 1HZ LYS 39 2HZ LYS 39 8.144 -8.895 -41.565 79 2HZ LYS 39 1HZ LYS 39 6.533 -9.336 -41.252 80 3HZ LYS 39 3HZ LYS 39 7.682 -9.386 -40.006 81 H ARG 40 H ARG 40 12.621 -9.925 -39.002 82 HA ARG 40 HA ARG 40 13.922 -11.543 -41.159 83 1HB ARG 40 2HB ARG 40 13.368 -8.592 -40.760 84 2HB ARG 40 1HB ARG 40 14.300 -9.229 -42.119 85 1HG ARG 40 2HG ARG 40 12.445 -10.435 -42.960 86 2HG ARG 40 1HG ARG 40 11.558 -10.264 -41.446 87 1HD ARG 40 2HD ARG 40 10.531 -8.636 -42.815 88 2HD ARG 40 1HD ARG 40 11.753 -7.679 -41.954 89 HE ARG 40 HE ARG 40 13.164 -7.770 -43.931 90 1HH1 ARG 40 1HH2 ARG 40 10.693 -10.059 -44.296 91 2HH1 ARG 40 2HH2 ARG 40 10.467 -9.783 -45.991 92 1HH2 ARG 40 2HH1 ARG 40 12.623 -7.070 -46.107 93 2HH2 ARG 40 1HH1 ARG 40 11.560 -8.092 -47.017 94 H HIS 41 H HIS 41 14.604 -10.762 -38.104 95 HA HIS 41 HA HIS 41 16.586 -10.406 -36.882 96 1HB HIS 41 2HB HIS 41 17.343 -11.732 -39.468 97 2HB HIS 41 1HB HIS 41 18.611 -11.246 -38.347 98 HD1 HIS 41 HD1 HIS 41 18.798 -12.518 -36.115 99 HD2 HIS 41 HD2 HIS 41 15.610 -13.796 -38.477 100 HE1 HIS 41 HE1 HIS 41 17.936 -14.654 -35.060 101 H ILE 42 H ILE 42 15.791 -8.004 -37.605 102 HA ILE 42 HA ILE 42 17.893 -6.687 -39.251 103 HB ILE 42 HB ILE 42 15.320 -5.638 -38.028 104 1HG1 ILE 42 2HG1 ILE 42 15.851 -6.548 -40.873 105 2HG1 ILE 42 1HG1 ILE 42 15.030 -7.533 -39.663 106 1HG2 ILE 42 1HG2 ILE 42 17.430 -4.511 -39.818 107 2HG2 ILE 42 3HG2 ILE 42 15.753 -4.068 -40.147 108 3HG2 ILE 42 2HG2 ILE 42 16.467 -3.711 -38.574 109 1HD1 ILE 42 3HD1 ILE 42 13.738 -5.057 -39.535 110 2HD1 ILE 42 2HD1 ILE 42 13.987 -5.334 -41.258 111 3HD1 ILE 42 1HD1 ILE 42 13.113 -6.522 -40.291 112 H LYS 43 H LYS 43 19.277 -5.144 -38.352 113 HA LYS 43 HA LYS 43 19.887 -5.311 -35.540 114 1HB LYS 43 2HB LYS 43 20.665 -3.366 -37.738 115 2HB LYS 43 1HB LYS 43 21.443 -3.431 -36.156 116 1HG LYS 43 2HG LYS 43 21.809 -5.944 -36.665 117 2HG LYS 43 1HG LYS 43 21.454 -5.513 -38.338 118 1HD LYS 43 2HD LYS 43 23.227 -3.679 -38.083 119 2HD LYS 43 1HD LYS 43 23.705 -4.498 -36.595 120 1HE LYS 43 2HE LYS 43 23.522 -6.569 -38.466 121 2HE LYS 43 1HE LYS 43 24.288 -5.238 -39.354 122 1HZ LYS 43 3HZ LYS 43 25.087 -6.165 -36.645 123 2HZ LYS 43 2HZ LYS 43 25.915 -6.536 -38.081 124 3HZ LYS 43 1HZ LYS 43 25.830 -4.929 -37.537 125 H CYS 44 H CYS 44 17.510 -4.776 -34.906 126 HA CYS 44 HA CYS 44 16.334 -2.233 -35.225 127 1HB CYS 44 2HB CYS 44 15.244 -4.226 -34.280 128 2HB CYS 44 1HB CYS 44 16.300 -4.147 -32.871 129 HA PRO 45 HA PRO 45 19.218 0.336 -32.953 130 1HB PRO 45 2HB PRO 45 17.171 2.290 -32.435 131 2HB PRO 45 1HB PRO 45 18.455 2.356 -33.646 132 1HG PRO 45 2HG PRO 45 15.657 1.979 -34.093 133 2HG PRO 45 1HG PRO 45 16.951 1.984 -35.294 134 1HD PRO 45 2HD PRO 45 15.418 -0.276 -34.325 135 2HD PRO 45 1HD PRO 45 16.669 -0.256 -35.591 136 H GLY 46 H GLY 46 16.024 0.999 -31.507 137 1HA GLY 46 2HA GLY 46 15.745 -0.548 -29.345 138 2HA GLY 46 1HA GLY 46 17.155 0.383 -28.841 139 H GLY 47 H GLY 47 13.726 0.559 -29.576 140 1HA GLY 47 2HA GLY 47 13.298 2.711 -27.730 141 2HA GLY 47 1HA GLY 47 13.308 3.345 -29.377 142 H ASN 48 H ASN 48 10.960 3.591 -28.038 143 HA ASN 48 HA ASN 48 9.232 1.575 -29.410 144 1HB ASN 48 2HB ASN 48 9.601 2.116 -26.544 145 2HB ASN 48 1HB ASN 48 7.912 2.104 -27.055 146 1HD2 ASN 48 2HD2 ASN 48 8.231 -1.337 -28.332 147 2HD2 ASN 48 1HD2 ASN 48 7.679 0.164 -28.905 148 HA PRO 49 HA PRO 49 8.236 1.732 -31.108 149 1HB PRO 49 2HB PRO 49 8.453 3.509 -33.349 150 2HB PRO 49 1HB PRO 49 7.101 2.460 -32.934 151 1HG PRO 49 2HG PRO 49 7.180 5.303 -32.805 152 2HG PRO 49 1HG PRO 49 5.872 4.239 -32.283 153 1HD PRO 49 2HD PRO 49 7.742 5.755 -30.638 154 2HD PRO 49 1HD PRO 49 6.314 4.824 -30.123 155 H CYS 50 H CYS 50 10.034 1.318 -32.830 156 HA CYS 50 HA CYS 50 12.580 2.424 -31.805 157 1HB CYS 50 2HB CYS 50 13.525 0.551 -33.092 158 2HB CYS 50 1HB CYS 50 12.178 -0.017 -32.108 159 H GLN 51 H GLN 51 13.647 1.721 -34.676 160 HA GLN 51 HA GLN 51 12.697 4.214 -36.033 161 1HB GLN 51 2HB GLN 51 14.821 4.519 -34.732 162 2HB GLN 51 1HB GLN 51 15.566 3.275 -35.736 163 1HG GLN 51 2HG GLN 51 16.123 4.952 -37.146 164 2HG GLN 51 1HG GLN 51 14.417 4.982 -37.596 165 1HE2 GLN 51 2HE2 GLN 51 13.720 7.796 -35.371 166 2HE2 GLN 51 1HE2 GLN 51 13.040 6.307 -35.817 167 H LYS 52 H LYS 52 14.392 1.094 -36.354 168 HA LYS 52 HA LYS 52 14.646 1.050 -39.188 169 1HB LYS 52 2HB LYS 52 14.488 -0.943 -36.956 170 2HB LYS 52 1HB LYS 52 14.459 -1.536 -38.620 171 1HG LYS 52 2HG LYS 52 16.559 0.393 -37.605 172 2HG LYS 52 1HG LYS 52 16.771 -1.358 -37.568 173 1HD LYS 52 2HD LYS 52 16.067 -1.189 -40.108 174 2HD LYS 52 1HD LYS 52 16.609 0.481 -39.933 175 1HE LYS 52 2HE LYS 52 18.822 -0.213 -39.285 176 2HE LYS 52 1HE LYS 52 18.306 -1.905 -39.128 177 1HZ LYS 52 2HZ LYS 52 17.925 -0.418 -41.653 178 2HZ LYS 52 1HZ LYS 52 19.396 -1.201 -41.319 179 3HZ LYS 52 3HZ LYS 52 17.960 -2.098 -41.406 180 H CYS 53 H CYS 53 11.873 0.397 -37.129 181 HA CYS 53 HA CYS 53 10.301 -0.663 -39.416 182 1HB CYS 53 2HB CYS 53 10.055 -0.382 -36.453 183 2HB CYS 53 1HB CYS 53 8.620 -0.720 -37.408 184 H VAL 54 H VAL 54 10.406 2.070 -37.145 185 HA VAL 54 HA VAL 54 8.016 3.358 -38.042 186 HB VAL 54 HB VAL 54 10.500 4.778 -37.041 187 1HG1 VAL 54 3HG1 VAL 54 7.942 5.646 -37.641 188 2HG1 VAL 54 2HG1 VAL 54 7.874 5.404 -35.893 189 3HG1 VAL 54 1HG1 VAL 54 9.084 6.485 -36.590 190 1HG2 VAL 54 2HG2 VAL 54 8.597 2.996 -35.509 191 2HG2 VAL 54 1HG2 VAL 54 10.361 2.986 -35.485 192 3HG2 VAL 54 3HG2 VAL 54 9.479 4.305 -34.722 193 H THR 55 H THR 55 11.330 3.320 -39.144 194 HA THR 55 HA THR 55 11.093 5.479 -41.053 195 HB THR 55 HB THR 55 13.181 4.628 -39.977 196 HG1 THR 55 HG1 THR 55 14.396 4.625 -41.942 197 1HG2 THR 55 3HG2 THR 55 12.419 2.211 -40.228 198 2HG2 THR 55 2HG2 THR 55 12.988 2.309 -41.892 199 3HG2 THR 55 1HG2 THR 55 14.120 2.530 -40.555 200 H SER 56 H SER 56 10.822 1.930 -41.214 201 HA SER 56 HA SER 56 10.354 1.987 -44.122 202 1HB SER 56 2HB SER 56 10.813 0.034 -41.949 203 2HB SER 56 1HB SER 56 9.726 -0.530 -43.215 204 HG SER 56 HG SER 56 12.430 0.153 -43.321 205 H ASN 57 H ASN 57 8.415 0.155 -41.810 206 HA ASN 57 HA ASN 57 6.093 1.699 -41.676 207 1HB ASN 57 2HB ASN 57 4.761 0.471 -43.508 208 2HB ASN 57 1HB ASN 57 5.894 1.699 -44.043 209 1HD2 ASN 57 2HD2 ASN 57 7.268 -0.716 -46.224 210 2HD2 ASN 57 1HD2 ASN 57 6.526 0.802 -46.068 211 H ALA 58 H ALA 58 7.485 -0.214 -40.141 212 HA ALA 58 HA ALA 58 5.503 -2.465 -39.975 213 1HB ALA 58 1HB ALA 58 8.460 -2.214 -39.417 214 2HB ALA 58 3HB ALA 58 7.519 -3.554 -38.762 215 3HB ALA 58 2HB ALA 58 7.644 -3.334 -40.507 216 H ILE 59 H ILE 59 4.998 -3.196 -37.769 217 HA ILE 59 HA ILE 59 4.630 -0.986 -35.905 218 HB ILE 59 HB ILE 59 4.141 -3.964 -35.585 219 1HG1 ILE 59 2HG1 ILE 59 2.231 -1.830 -36.591 220 2HG1 ILE 59 1HG1 ILE 59 3.072 -2.974 -37.640 221 1HG2 ILE 59 2HG2 ILE 59 3.851 -1.770 -33.817 222 2HG2 ILE 59 1HG2 ILE 59 2.225 -2.214 -34.333 223 3HG2 ILE 59 3HG2 ILE 59 3.272 -3.420 -33.584 224 1HD1 ILE 59 1HD1 ILE 59 2.062 -4.825 -36.199 225 2HD1 ILE 59 3HD1 ILE 59 1.028 -3.582 -35.498 226 3HD1 ILE 59 2HD1 ILE 59 0.930 -3.940 -37.222 227 H CYS 60 H CYS 60 5.757 -0.688 -34.000 228 HA CYS 60 HA CYS 60 8.195 -2.377 -33.618 229 1HB CYS 60 2HB CYS 60 7.704 0.384 -32.486 230 2HB CYS 60 1HB CYS 60 9.239 -0.411 -32.805 231 H GLU 61 H GLU 61 7.783 -3.870 -32.013 232 HA GLU 61 HA GLU 61 6.779 -2.858 -29.404 233 1HB GLU 61 2HB GLU 61 5.513 -4.945 -31.181 234 2HB GLU 61 1HB GLU 61 5.238 -4.951 -29.438 235 1HG GLU 61 2HG GLU 61 4.540 -2.522 -29.645 236 2HG GLU 61 1HG GLU 61 4.582 -2.736 -31.395 237 H TYR 62 H TYR 62 6.962 -4.730 -27.735 238 HA TYR 62 HA TYR 62 9.182 -6.606 -28.445 239 1HB TYR 62 2HB TYR 62 8.987 -4.704 -26.089 240 2HB TYR 62 1HB TYR 62 10.224 -5.950 -26.257 241 HD1 TYR 62 HD2 TYR 62 11.141 -5.942 -28.926 242 HD2 TYR 62 HD1 TYR 62 9.803 -2.569 -26.585 243 HE1 TYR 62 HE2 TYR 62 12.491 -4.412 -30.358 244 HE2 TYR 62 HE1 TYR 62 11.155 -1.040 -28.017 245 HH TYR 62 HH TYR 62 12.812 -2.215 -30.917 246 H LEU 63 H LEU 63 9.434 -8.290 -26.643 247 HA LEU 63 HA LEU 63 6.726 -9.161 -25.760 248 1HB LEU 63 2HB LEU 63 8.750 -10.422 -27.068 249 2HB LEU 63 1HB LEU 63 9.133 -10.862 -25.403 250 HG LEU 63 HG LEU 63 6.277 -11.087 -26.178 251 1HD1 LEU 63 1HD1 LEU 63 8.460 -12.858 -27.304 252 2HD1 LEU 63 3HD1 LEU 63 6.780 -13.379 -27.173 253 3HD1 LEU 63 2HD1 LEU 63 7.198 -12.002 -28.192 254 1HD2 LEU 63 3HD2 LEU 63 8.037 -11.991 -24.139 255 2HD2 LEU 63 2HD2 LEU 63 6.313 -12.325 -24.295 256 3HD2 LEU 63 1HD2 LEU 63 7.493 -13.423 -25.011 257 H GLU 64 H GLU 64 9.711 -7.901 -24.510 258 HA GLU 64 HA GLU 64 9.703 -8.985 -21.880 259 1HB GLU 64 2HB GLU 64 10.922 -6.798 -23.396 260 2HB GLU 64 1HB GLU 64 10.713 -6.405 -21.690 261 1HG GLU 64 2HG GLU 64 12.799 -7.473 -21.702 262 2HG GLU 64 1HG GLU 64 11.704 -8.791 -21.280 263 HA PRO 65 HA PRO 65 7.160 -5.081 -20.541 264 1HB PRO 65 2HB PRO 65 5.684 -4.145 -22.826 265 2HB PRO 65 1HB PRO 65 6.900 -3.277 -21.885 266 1HG PRO 65 2HG PRO 65 7.152 -4.285 -24.547 267 2HG PRO 65 1HG PRO 65 8.382 -3.470 -23.578 268 1HD PRO 65 2HD PRO 65 8.251 -6.282 -24.294 269 2HD PRO 65 1HD PRO 65 9.522 -5.430 -23.384 270 H SER 66 H SER 66 5.181 -5.920 -23.390 271 HA SER 66 HA SER 66 3.082 -7.010 -23.501 272 1HB SER 66 2HB SER 66 5.074 -8.620 -22.099 273 2HB SER 66 1HB SER 66 3.433 -9.056 -21.631 274 HG SER 66 HG SER 66 3.863 -10.212 -23.447 275 H LYS 67 H LYS 67 2.361 -4.922 -22.210 276 HA LYS 67 HA LYS 67 0.872 -5.875 -19.812 277 1HB LYS 67 2HB LYS 67 3.257 -4.522 -19.615 278 2HB LYS 67 1HB LYS 67 2.091 -3.199 -19.554 279 1HG LYS 67 2HG LYS 67 0.887 -4.316 -17.728 280 2HG LYS 67 1HG LYS 67 2.011 -5.674 -17.802 281 1HD LYS 67 2HD LYS 67 3.461 -3.175 -17.589 282 2HD LYS 67 1HD LYS 67 2.297 -3.326 -16.273 283 1HE LYS 67 2HE LYS 67 3.534 -4.940 -15.266 284 2HE LYS 67 1HE LYS 67 3.695 -5.847 -16.784 285 1HZ LYS 67 3HZ LYS 67 5.184 -3.346 -16.198 286 2HZ LYS 67 2HZ LYS 67 5.825 -4.898 -15.935 287 3HZ LYS 67 1HZ LYS 67 5.418 -4.397 -17.507 288 H LYS 68 H LYS 68 -1.207 -5.469 -20.492 289 HA LYS 68 HA LYS 68 -1.766 -2.840 -21.828 290 1HB LYS 68 2HB LYS 68 -2.969 -5.607 -22.006 291 2HB LYS 68 1HB LYS 68 -3.829 -4.189 -22.609 292 1HG LYS 68 2HG LYS 68 -1.351 -3.807 -23.701 293 2HG LYS 68 1HG LYS 68 -1.465 -5.568 -23.717 294 1HD LYS 68 2HD LYS 68 -3.683 -5.383 -24.836 295 2HD LYS 68 1HD LYS 68 -3.481 -3.631 -24.892 296 1HE LYS 68 2HE LYS 68 -1.454 -5.540 -26.098 297 2HE LYS 68 1HE LYS 68 -2.796 -4.842 -27.027 298 1HZ LYS 68 3HZ LYS 68 -2.074 -2.631 -26.223 299 2HZ LYS 68 2HZ LYS 68 -0.703 -3.357 -25.529 300 3HZ LYS 68 1HZ LYS 68 -0.921 -3.385 -27.214 301 H ILE 69 H ILE 69 -3.847 -1.835 -21.214 302 HA ILE 69 HA ILE 69 -4.389 -2.166 -18.339 303 HB ILE 69 HB ILE 69 -4.263 -0.074 -20.197 304 1HG1 ILE 69 2HG1 ILE 69 -3.657 0.140 -17.875 305 2HG1 ILE 69 1HG1 ILE 69 -4.916 1.323 -18.209 306 1HG2 ILE 69 1HG2 ILE 69 -6.724 -0.721 -20.708 307 2HG2 ILE 69 3HG2 ILE 69 -7.078 -0.025 -19.127 308 3HG2 ILE 69 2HG2 ILE 69 -6.355 0.971 -20.388 309 1HD1 ILE 69 3HD1 ILE 69 -6.469 -0.744 -17.459 310 2HD1 ILE 69 2HD1 ILE 69 -5.019 -1.135 -16.538 311 3HD1 ILE 69 1HD1 ILE 69 -5.820 0.418 -16.303 312 H VAL 70 H VAL 70 -6.480 -2.678 -17.507 313 HA VAL 70 HA VAL 70 -8.590 -3.530 -19.406 314 HB VAL 70 HB VAL 70 -7.476 -5.385 -17.276 315 1HG1 VAL 70 2HG1 VAL 70 -9.855 -5.665 -18.053 316 2HG1 VAL 70 1HG1 VAL 70 -9.235 -5.927 -19.684 317 3HG1 VAL 70 3HG1 VAL 70 -8.828 -7.058 -18.393 318 1HG2 VAL 70 2HG2 VAL 70 -6.893 -5.252 -20.253 319 2HG2 VAL 70 1HG2 VAL 70 -5.729 -5.095 -18.937 320 3HG2 VAL 70 3HG2 VAL 70 -6.512 -6.646 -19.241 321 H VAL 71 H VAL 71 -10.107 -2.110 -18.533 322 HA VAL 71 HA VAL 71 -10.983 -2.636 -15.755 323 HB VAL 71 HB VAL 71 -10.802 -0.215 -15.213 324 1HG1 VAL 71 1HG1 VAL 71 -8.894 -1.872 -14.841 325 2HG1 VAL 71 3HG1 VAL 71 -8.156 -1.197 -16.294 326 3HG1 VAL 71 2HG1 VAL 71 -8.441 -0.169 -14.889 327 1HG2 VAL 71 3HG2 VAL 71 -10.255 -0.115 -18.089 328 2HG2 VAL 71 2HG2 VAL 71 -10.781 1.172 -17.004 329 3HG2 VAL 71 1HG2 VAL 71 -9.068 0.780 -17.141 330 H SER 72 H SER 72 -12.580 -0.121 -15.808 331 HA SER 72 HA SER 72 -14.796 -1.106 -17.502 332 1HB SER 72 2HB SER 72 -15.246 -0.532 -15.194 333 2HB SER 72 1HB SER 72 -14.465 1.037 -15.382 334 HG SER 72 HG SER 72 -16.540 1.525 -15.682 335 H THR 73 H THR 73 -15.011 -0.272 -19.553 336 HA THR 73 HA THR 73 -13.473 1.850 -20.630 337 HB THR 73 HB THR 73 -14.702 0.089 -21.884 338 HG1 THR 73 HG1 THR 73 -15.266 1.431 -23.544 339 1HG2 THR 73 2HG2 THR 73 -17.128 1.703 -21.055 340 2HG2 THR 73 1HG2 THR 73 -17.141 0.398 -22.242 341 3HG2 THR 73 3HG2 THR 73 -16.752 0.053 -20.557 342 H LYS 74 H LYS 74 -16.534 1.895 -18.879 343 HA LYS 74 HA LYS 74 -17.526 4.453 -19.516 344 1HB LYS 74 2HB LYS 74 -18.009 2.416 -17.683 345 2HB LYS 74 1HB LYS 74 -17.597 3.792 -16.660 346 1HG LYS 74 2HG LYS 74 -19.272 4.852 -18.642 347 2HG LYS 74 1HG LYS 74 -20.014 3.315 -18.197 348 1HD LYS 74 2HD LYS 74 -20.626 4.082 -16.159 349 2HD LYS 74 1HD LYS 74 -19.047 4.817 -15.876 350 1HE LYS 74 2HE LYS 74 -20.626 6.635 -15.957 351 2HE LYS 74 1HE LYS 74 -19.784 6.657 -17.519 352 1HZ LYS 74 3HZ LYS 74 -21.550 5.221 -18.409 353 2HZ LYS 74 2HZ LYS 74 -22.385 5.344 -16.934 354 3HZ LYS 74 1HZ LYS 74 -22.149 6.723 -17.898 355 H TYR 75 H TYR 75 -15.370 3.671 -16.757 356 HA TYR 75 HA TYR 75 -14.728 6.342 -16.035 357 1HB TYR 75 2HB TYR 75 -13.841 4.986 -14.436 358 2HB TYR 75 1HB TYR 75 -13.885 3.602 -15.517 359 HD1 TYR 75 HD2 TYR 75 -11.911 6.794 -15.104 360 HD2 TYR 75 HD1 TYR 75 -11.842 2.567 -15.996 361 HE1 TYR 75 HE2 TYR 75 -9.432 6.875 -15.300 362 HE2 TYR 75 HE1 TYR 75 -9.365 2.648 -16.188 363 HH TYR 75 HH TYR 75 -7.487 4.787 -14.978 364 H LEU 76 H LEU 76 -13.006 4.081 -18.192 365 HA LEU 76 HA LEU 76 -10.875 5.661 -19.055 366 1HB LEU 76 2HB LEU 76 -12.274 3.295 -19.789 367 2HB LEU 76 1HB LEU 76 -12.057 4.241 -21.258 368 HG LEU 76 HG LEU 76 -10.139 2.744 -20.860 369 1HD1 LEU 76 3HD1 LEU 76 -10.093 5.434 -21.515 370 2HD1 LEU 76 2HD1 LEU 76 -8.844 5.304 -20.280 371 3HD1 LEU 76 1HD1 LEU 76 -8.755 4.307 -21.732 372 1HD2 LEU 76 3HD2 LEU 76 -10.492 3.064 -18.265 373 2HD2 LEU 76 2HD2 LEU 76 -8.872 2.776 -18.902 374 3HD2 LEU 76 1HD2 LEU 76 -9.378 4.415 -18.486 375 H GLN 77 H GLN 77 -14.243 5.682 -20.236 376 HA GLN 77 HA GLN 77 -13.776 7.633 -22.327 377 1HB GLN 77 2HB GLN 77 -15.880 6.002 -21.248 378 2HB GLN 77 1HB GLN 77 -16.474 7.656 -21.410 379 1HG GLN 77 2HG GLN 77 -16.856 7.019 -23.571 380 2HG GLN 77 1HG GLN 77 -15.143 7.402 -23.757 381 1HE2 GLN 77 2HE2 GLN 77 -14.180 4.041 -24.274 382 2HE2 GLN 77 1HE2 GLN 77 -13.679 5.656 -24.128 383 H GLN 78 H GLN 78 -15.136 7.854 -19.019 384 HA GLN 78 HA GLN 78 -15.607 10.683 -19.060 385 1HB GLN 78 2HB GLN 78 -16.448 8.880 -17.453 386 2HB GLN 78 1HB GLN 78 -14.865 8.958 -16.682 387 1HG GLN 78 2HG GLN 78 -15.382 10.875 -15.609 388 2HG GLN 78 1HG GLN 78 -15.996 11.612 -17.089 389 1HE2 GLN 78 2HE2 GLN 78 -19.383 10.942 -16.330 390 2HE2 GLN 78 1HE2 GLN 78 -18.279 11.586 -17.447 391 H LEU 79 H LEU 79 -12.735 8.752 -18.601 392 HA LEU 79 HA LEU 79 -11.101 10.762 -17.306 393 1HB LEU 79 2HB LEU 79 -10.988 8.062 -17.946 394 2HB LEU 79 1HB LEU 79 -9.770 8.772 -19.006 395 HG LEU 79 HG LEU 79 -8.812 8.107 -16.812 396 1HD1 LEU 79 3HD1 LEU 79 -8.799 10.828 -17.925 397 2HD1 LEU 79 2HD1 LEU 79 -8.284 10.747 -16.240 398 3HD1 LEU 79 1HD1 LEU 79 -7.447 9.794 -17.463 399 1HD2 LEU 79 2HD2 LEU 79 -11.094 8.743 -15.662 400 2HD2 LEU 79 1HD2 LEU 79 -9.583 8.960 -14.776 401 3HD2 LEU 79 3HD2 LEU 79 -10.365 10.345 -15.540 402 H GLN 80 H GLN 80 -11.513 9.689 -20.678 403 HA GLN 80 HA GLN 80 -9.560 11.490 -21.795 404 1HB GLN 80 2HB GLN 80 -11.382 9.426 -22.578 405 2HB GLN 80 1HB GLN 80 -11.628 10.805 -23.647 406 1HG GLN 80 2HG GLN 80 -9.673 10.417 -24.702 407 2HG GLN 80 1HG GLN 80 -8.800 10.362 -23.172 408 1HE2 GLN 80 2HE2 GLN 80 -9.511 6.752 -22.824 409 2HE2 GLN 80 1HE2 GLN 80 -9.711 8.151 -21.884 410 H LYS 81 H LYS 81 -13.142 11.638 -21.577 411 HA LYS 81 HA LYS 81 -13.492 14.168 -22.828 412 1HB LYS 81 2HB LYS 81 -14.950 12.300 -21.110 413 2HB LYS 81 1HB LYS 81 -15.383 13.976 -20.769 414 1HG LYS 81 2HG LYS 81 -15.439 14.107 -23.439 415 2HG LYS 81 1HG LYS 81 -15.782 12.385 -23.263 416 1HD LYS 81 2HD LYS 81 -17.443 13.400 -21.369 417 2HD LYS 81 1HD LYS 81 -17.447 14.726 -22.533 418 1HE LYS 81 2HE LYS 81 -17.948 13.017 -24.342 419 2HE LYS 81 1HE LYS 81 -18.195 11.830 -23.045 420 1HZ LYS 81 2HZ LYS 81 -19.525 14.481 -23.089 421 2HZ LYS 81 1HZ LYS 81 -20.242 13.083 -23.736 422 3HZ LYS 81 3HZ LYS 81 -19.877 13.161 -22.081 423 H ASP 82 H ASP 82 -12.628 13.311 -19.491 424 HA ASP 82 HA ASP 82 -12.821 15.875 -18.286 425 1HB ASP 82 2HB ASP 82 -12.043 13.357 -17.564 426 2HB ASP 82 1HB ASP 82 -10.482 14.173 -17.626 427 H LEU 83 H LEU 83 -10.233 14.358 -20.199 428 HA LEU 83 HA LEU 83 -8.283 16.430 -20.025 429 1HB LEU 83 2HB LEU 83 -8.658 13.974 -21.301 430 2HB LEU 83 1HB LEU 83 -8.514 15.122 -22.633 431 HG LEU 83 HG LEU 83 -6.576 15.149 -20.321 432 1HD1 LEU 83 3HD1 LEU 83 -6.806 13.231 -22.569 433 2HD1 LEU 83 2HD1 LEU 83 -5.203 13.932 -22.345 434 3HD1 LEU 83 1HD1 LEU 83 -5.976 13.057 -21.024 435 1HD2 LEU 83 3HD2 LEU 83 -6.908 16.486 -22.934 436 2HD2 LEU 83 2HD2 LEU 83 -6.034 17.023 -21.499 437 3HD2 LEU 83 1HD2 LEU 83 -5.275 15.897 -22.623 438 H ASN 84 H ASN 84 -10.884 15.864 -22.426 439 HA ASN 84 HA ASN 84 -10.463 18.234 -23.967 440 1HB ASN 84 2HB ASN 84 -12.159 16.041 -23.902 441 2HB ASN 84 1HB ASN 84 -13.248 17.387 -23.589 442 1HD2 ASN 84 2HD2 ASN 84 -13.157 18.526 -26.919 443 2HD2 ASN 84 1HD2 ASN 84 -13.874 18.628 -25.384 444 H ASP 85 H ASP 85 -12.004 17.611 -20.876 445 HA ASP 85 HA ASP 85 -13.450 20.108 -20.653 446 1HB ASP 85 2HB ASP 85 -13.484 17.817 -19.311 447 2HB ASP 85 1HB ASP 85 -12.274 18.625 -18.315 448 H LYS 86 H LYS 86 -10.105 19.244 -20.441 449 HA LYS 86 HA LYS 86 -9.262 21.513 -18.784 450 1HB LYS 86 2HB LYS 86 -7.961 19.423 -18.982 451 2HB LYS 86 1HB LYS 86 -7.794 19.675 -20.710 452 1HG LYS 86 2HG LYS 86 -6.537 21.728 -20.335 453 2HG LYS 86 1HG LYS 86 -6.762 21.578 -18.593 454 1HD LYS 86 2HD LYS 86 -4.715 20.559 -18.710 455 2HD LYS 86 1HD LYS 86 -5.694 19.149 -19.120 456 1HE LYS 86 2HE LYS 86 -4.692 19.047 -21.146 457 2HE LYS 86 1HE LYS 86 -5.263 20.687 -21.513 458 1HZ LYS 86 2HZ LYS 86 -3.421 21.548 -20.149 459 2HZ LYS 86 1HZ LYS 86 -2.833 19.966 -19.960 460 3HZ LYS 86 3HZ LYS 86 -2.869 20.679 -21.499 461 H THR 87 H THR 87 -9.649 20.679 -22.152 462 HA THR 87 HA THR 87 -8.415 23.057 -23.223 463 HB THR 87 HB THR 87 -10.105 20.736 -24.145 464 HG1 THR 87 HG1 THR 87 -8.268 20.177 -25.009 465 1HG2 THR 87 3HG2 THR 87 -9.797 23.345 -25.581 466 2HG2 THR 87 2HG2 THR 87 -9.739 21.853 -26.519 467 3HG2 THR 87 1HG2 THR 87 -11.164 22.232 -25.553 468 H GLU 88 H GLU 88 -11.773 21.996 -22.606 469 HA GLU 88 HA GLU 88 -13.068 24.407 -23.477 470 1HB GLU 88 2HB GLU 88 -14.157 22.199 -23.105 471 2HB GLU 88 1HB GLU 88 -13.848 22.352 -21.375 472 1HG GLU 88 2HG GLU 88 -15.092 24.693 -21.760 473 2HG GLU 88 1HG GLU 88 -15.828 23.787 -23.081 474 H GLU 89 H GLU 89 -11.593 23.374 -20.440 475 HA GLU 89 HA GLU 89 -12.508 25.647 -18.868 476 1HB GLU 89 2HB GLU 89 -10.620 23.357 -18.662 477 2HB GLU 89 1HB GLU 89 -10.262 24.744 -17.636 478 1HG GLU 89 2HG GLU 89 -13.074 24.262 -17.504 479 2HG GLU 89 1HG GLU 89 -12.248 22.726 -17.239 480 H ASN 90 H ASN 90 -9.403 24.771 -20.402 481 HA ASN 90 HA ASN 90 -7.927 27.122 -19.920 482 1HB ASN 90 2HB ASN 90 -8.016 24.878 -21.839 483 2HB ASN 90 1HB ASN 90 -7.221 26.316 -22.468 484 1HD2 ASN 90 2HD2 ASN 90 -5.409 24.103 -19.583 485 2HD2 ASN 90 1HD2 ASN 90 -6.948 23.692 -20.169 486 H ASN 91 H ASN 91 -10.563 26.475 -22.116 487 HA ASN 91 HA ASN 91 -10.251 28.871 -23.750 488 1HB ASN 91 2HB ASN 91 -12.104 26.565 -23.385 489 2HB ASN 91 1HB ASN 91 -12.784 27.997 -24.151 490 1HD2 ASN 91 2HD2 ASN 91 -9.734 26.000 -26.067 491 2HD2 ASN 91 1HD2 ASN 91 -9.876 25.872 -24.380 492 H ARG 92 H ARG 92 -12.277 27.872 -20.994 493 HA ARG 92 HA ARG 92 -13.727 30.411 -20.878 494 1HB ARG 92 2HB ARG 92 -14.525 28.120 -20.153 495 2HB ARG 92 1HB ARG 92 -13.405 28.235 -18.797 496 1HG ARG 92 2HG ARG 92 -14.525 30.345 -18.090 497 2HG ARG 92 1HG ARG 92 -15.693 30.132 -19.394 498 1HD ARG 92 2HD ARG 92 -16.554 28.111 -18.416 499 2HD ARG 92 1HD ARG 92 -15.221 28.039 -17.248 500 HE ARG 92 HE ARG 92 -16.458 30.563 -16.932 501 1HH1 ARG 92 2HH1 ARG 92 -18.599 28.238 -17.454 502 2HH1 ARG 92 1HH1 ARG 92 -19.137 28.018 -15.821 503 1HH2 ARG 92 1HH2 ARG 92 -16.536 29.849 -14.440 504 2HH2 ARG 92 2HH2 ARG 92 -17.968 28.931 -14.115 505 H LEU 93 H LEU 93 -11.343 28.817 -18.715 506 HA LEU 93 HA LEU 93 -10.891 30.864 -16.871 507 1HB LEU 93 2HB LEU 93 -8.966 28.936 -18.210 508 2HB LEU 93 1HB LEU 93 -8.590 29.839 -16.742 509 HG LEU 93 HG LEU 93 -11.073 28.141 -16.912 510 1HD1 LEU 93 3HD1 LEU 93 -8.855 26.885 -17.461 511 2HD1 LEU 93 2HD1 LEU 93 -8.481 27.133 -15.755 512 3HD1 LEU 93 1HD1 LEU 93 -9.914 26.217 -16.220 513 1HD2 LEU 93 1HD2 LEU 93 -10.808 29.778 -15.061 514 2HD2 LEU 93 3HD2 LEU 93 -10.795 28.118 -14.469 515 3HD2 LEU 93 2HD2 LEU 93 -9.282 29.010 -14.620 516 H LYS 94 H LYS 94 -9.650 30.563 -20.177 517 HA LYS 94 HA LYS 94 -7.826 32.804 -20.044 518 1HB LYS 94 2HB LYS 94 -9.117 31.062 -22.110 519 2HB LYS 94 1HB LYS 94 -8.372 32.564 -22.655 520 1HG LYS 94 2HG LYS 94 -6.259 31.921 -21.555 521 2HG LYS 94 1HG LYS 94 -7.001 30.415 -21.014 522 1HD LYS 94 2HD LYS 94 -6.040 29.639 -22.955 523 2HD LYS 94 1HD LYS 94 -7.562 30.219 -23.630 524 1HE LYS 94 2HE LYS 94 -5.586 32.366 -23.416 525 2HE LYS 94 1HE LYS 94 -5.028 31.034 -24.450 526 1HZ LYS 94 3HZ LYS 94 -7.765 32.161 -24.622 527 2HZ LYS 94 2HZ LYS 94 -6.481 32.736 -25.575 528 3HZ LYS 94 1HZ LYS 94 -6.996 31.123 -25.722 529 H ALA 95 H ALA 95 -11.250 32.409 -20.934 530 HA ALA 95 HA ALA 95 -11.467 35.298 -21.596 531 1HB ALA 95 2HB ALA 95 -12.818 32.807 -22.208 532 2HB ALA 95 1HB ALA 95 -13.977 34.021 -21.666 533 3HB ALA 95 3HB ALA 95 -12.925 34.357 -23.042 534 H LEU 96 H LEU 96 -11.697 33.375 -18.812 535 HA LEU 96 HA LEU 96 -13.893 34.899 -17.557 536 1HB LEU 96 2HB LEU 96 -13.227 32.378 -17.329 537 2HB LEU 96 1HB LEU 96 -12.004 32.975 -16.207 538 HG LEU 96 HG LEU 96 -13.847 34.174 -14.967 539 1HD1 LEU 96 1HD1 LEU 96 -15.344 33.121 -17.236 540 2HD1 LEU 96 3HD1 LEU 96 -16.068 32.646 -15.699 541 3HD1 LEU 96 2HD1 LEU 96 -15.812 34.352 -16.065 542 1HD2 LEU 96 3HD2 LEU 96 -13.596 31.205 -15.226 543 2HD2 LEU 96 2HD2 LEU 96 -13.245 32.242 -13.843 544 3HD2 LEU 96 1HD2 LEU 96 -14.915 31.835 -14.241 545 H LEU 97 H LEU 97 -10.398 34.914 -17.703 546 HA LEU 97 HA LEU 97 -10.262 36.857 -15.440 547 1HB LEU 97 2HB LEU 97 -8.144 35.287 -16.946 548 2HB LEU 97 1HB LEU 97 -7.842 36.306 -15.540 549 HG LEU 97 HG LEU 97 -9.667 33.885 -15.589 550 1HD1 LEU 97 2HD1 LEU 97 -6.863 34.346 -14.549 551 2HD1 LEU 97 1HD1 LEU 97 -7.875 33.019 -13.978 552 3HD1 LEU 97 3HD1 LEU 97 -7.411 33.106 -15.677 553 1HD2 LEU 97 2HD2 LEU 97 -9.431 36.138 -13.798 554 2HD2 LEU 97 1HD2 LEU 97 -10.537 34.768 -13.707 555 3HD2 LEU 97 3HD2 LEU 97 -8.941 34.663 -12.964 556 H LEU 98 H LEU 98 -9.494 36.454 -18.881 557 HA LEU 98 HA LEU 98 -8.221 39.050 -19.176 558 1HB LEU 98 2HB LEU 98 -9.548 37.203 -21.186 559 2HB LEU 98 1HB LEU 98 -8.390 38.478 -21.561 560 HG LEU 98 HG LEU 98 -7.825 36.089 -19.787 561 1HD1 LEU 98 3HD1 LEU 98 -8.088 35.983 -22.476 562 2HD1 LEU 98 2HD1 LEU 98 -6.408 36.512 -22.367 563 3HD1 LEU 98 1HD1 LEU 98 -6.911 35.009 -21.594 564 1HD2 LEU 98 3HD2 LEU 98 -6.335 38.563 -20.538 565 2HD2 LEU 98 2HD2 LEU 98 -6.295 37.640 -19.035 566 3HD2 LEU 98 1HD2 LEU 98 -5.411 37.063 -20.449 567 H GLU 99 H GLU 99 -11.490 37.907 -19.112 568 HA GLU 99 HA GLU 99 -12.711 40.081 -20.595 569 1HB GLU 99 2HB GLU 99 -13.761 37.890 -20.271 570 2HB GLU 99 1HB GLU 99 -13.761 38.129 -18.523 571 1HG GLU 99 2HG GLU 99 -15.592 39.468 -18.589 572 2HG GLU 99 1HG GLU 99 -15.017 40.330 -20.016 573 H ARG 100 HN ARG 100 -12.297 39.413 -17.111 574 HA ARG 100 HA ARG 100 -13.456 42.003 -16.352 575 1HB ARG 100 2HB ARG 100 -13.341 39.600 -15.181 576 2HB ARG 100 1HB ARG 100 -11.863 40.278 -14.497 577 1HG ARG 100 2HG ARG 100 -13.027 42.070 -13.467 578 2HG ARG 100 1HG ARG 100 -14.473 41.796 -14.439 579 1HD ARG 100 2HD ARG 100 -15.044 39.821 -13.235 580 2HD ARG 100 1HD ARG 100 -13.428 39.706 -12.509 581 HE ARG 100 HE ARG 100 -14.272 42.185 -11.684 582 1HH1 ARG 100 1HH2 ARG 100 -17.051 41.751 -11.676 583 2HH1 ARG 100 2HH2 ARG 100 -17.379 40.842 -10.239 584 1HH2 ARG 100 1HH1 ARG 100 -14.089 39.837 -9.803 585 2HH2 ARG 100 2HH1 ARG 100 -15.703 39.758 -9.179 586 1H MET 30 1H MET 30 -1.660 -16.548 -17.075 587 2H MET 30 3H MET 30 -2.573 -15.994 -15.757 588 3H MET 30 2H MET 30 -0.913 -15.646 -15.845 589 HA MET 30 HA MET 30 -0.292 -17.855 -15.392 590 1HB MET 30 2HB MET 30 -1.356 -16.325 -13.598 591 2HB MET 30 1HB MET 30 -2.773 -17.367 -13.735 592 1HG MET 30 2HG MET 30 -1.748 -19.120 -12.696 593 2HG MET 30 1HG MET 30 -0.190 -18.784 -13.453 594 1HE MET 30 3HE MET 30 0.707 -19.589 -11.076 595 2HE MET 30 2HE MET 30 1.675 -18.433 -11.989 596 3HE MET 30 1HE MET 30 1.489 -18.236 -10.248 597 H SER 31 H SER 31 -0.958 -19.073 -17.375 598 HA SER 31 HA SER 31 -2.143 -20.818 -18.444 599 1HB SER 31 2HB SER 31 -3.232 -21.455 -15.712 600 2HB SER 31 1HB SER 31 -2.657 -22.561 -16.956 601 HG SER 31 HG SER 31 -1.265 -22.000 -15.010 602 H VAL 32 H VAL 32 -3.492 -18.410 -18.674 603 HA VAL 32 HA VAL 32 -6.209 -18.504 -17.662 604 HB VAL 32 HB VAL 32 -4.873 -17.004 -19.939 605 1HG1 VAL 32 1HG1 VAL 32 -7.601 -16.794 -18.671 606 2HG1 VAL 32 3HG1 VAL 32 -6.843 -15.395 -19.430 607 3HG1 VAL 32 2HG1 VAL 32 -7.184 -16.839 -20.384 608 1HG2 VAL 32 1HG2 VAL 32 -4.183 -16.786 -17.388 609 2HG2 VAL 32 3HG2 VAL 32 -4.358 -15.346 -18.390 610 3HG2 VAL 32 2HG2 VAL 32 -5.656 -15.821 -17.296 611 H ALA 33 H ALA 33 -7.564 -20.140 -18.329 612 HA ALA 33 HA ALA 33 -7.593 -20.813 -21.256 613 1HB ALA 33 2HB ALA 33 -7.745 -22.463 -18.742 614 2HB ALA 33 1HB ALA 33 -8.477 -23.065 -20.229 615 3HB ALA 33 3HB ALA 33 -6.748 -22.717 -20.175 616 H CYS 34 H CYS 34 -9.706 -21.196 -22.154 617 HA CYS 34 HA CYS 34 -11.836 -19.589 -21.101 618 1HB CYS 34 2HB CYS 34 -11.864 -21.860 -23.112 619 2HB CYS 34 1HB CYS 34 -13.091 -20.605 -22.960 620 H LEU 35 H LEU 35 -14.135 -20.798 -20.922 621 HA LEU 35 HA LEU 35 -13.967 -22.487 -18.560 622 1HB LEU 35 2HB LEU 35 -15.998 -21.125 -20.236 623 2HB LEU 35 1HB LEU 35 -16.567 -22.526 -19.331 624 HG LEU 35 HG LEU 35 -15.400 -21.475 -17.296 625 1HD1 LEU 35 3HD1 LEU 35 -15.132 -19.339 -19.366 626 2HD1 LEU 35 2HD1 LEU 35 -15.507 -18.836 -17.717 627 3HD1 LEU 35 1HD1 LEU 35 -14.044 -19.765 -18.046 628 1HD2 LEU 35 1HD2 LEU 35 -17.886 -20.514 -18.661 629 2HD2 LEU 35 3HD2 LEU 35 -17.711 -21.378 -17.134 630 3HD2 LEU 35 2HD2 LEU 35 -17.344 -19.655 -17.219 631 H SER 36 H SER 36 -14.422 -22.981 -21.985 632 HA SER 36 HA SER 36 -15.395 -25.722 -21.791 633 1HB SER 36 2HB SER 36 -14.813 -23.692 -23.783 634 2HB SER 36 1HB SER 36 -14.179 -25.253 -24.295 635 HG SER 36 HG SER 36 -16.170 -26.077 -24.296 636 H CYS 37 H CYS 37 -12.258 -24.134 -22.043 637 HA CYS 37 HA CYS 37 -10.780 -26.614 -22.533 638 1HB CYS 37 2HB CYS 37 -9.895 -23.838 -21.669 639 2HB CYS 37 1HB CYS 37 -8.854 -25.091 -22.341 640 H ARG 38 H ARG 38 -11.865 -24.758 -19.779 641 HA ARG 38 HA ARG 38 -10.008 -25.897 -17.847 642 1HB ARG 38 2HB ARG 38 -12.556 -24.285 -17.818 643 2HB ARG 38 1HB ARG 38 -11.899 -24.920 -16.310 644 1HG ARG 38 2HG ARG 38 -10.406 -23.159 -18.278 645 2HG ARG 38 1HG ARG 38 -11.071 -22.635 -16.730 646 1HD ARG 38 2HD ARG 38 -9.523 -24.923 -16.143 647 2HD ARG 38 1HD ARG 38 -8.542 -23.938 -17.248 648 HE ARG 38 HE ARG 38 -9.904 -22.479 -15.069 649 1HH1 ARG 38 1HH2 ARG 38 -7.698 -21.111 -16.303 650 2HH1 ARG 38 2HH2 ARG 38 -6.340 -21.482 -15.293 651 1HH2 ARG 38 2HH1 ARG 38 -7.876 -24.189 -13.765 652 2HH2 ARG 38 1HH1 ARG 38 -6.440 -23.223 -13.857 653 H LYS 39 H LYS 39 -13.386 -26.551 -18.801 654 HA LYS 39 HA LYS 39 -13.771 -28.679 -16.868 655 1HB LYS 39 2HB LYS 39 -15.784 -29.119 -18.332 656 2HB LYS 39 1HB LYS 39 -15.646 -27.448 -17.789 657 1HG LYS 39 2HG LYS 39 -15.625 -26.755 -19.924 658 2HG LYS 39 1HG LYS 39 -14.170 -27.705 -20.218 659 1HD LYS 39 2HD LYS 39 -15.836 -28.478 -21.769 660 2HD LYS 39 1HD LYS 39 -15.665 -29.722 -20.530 661 1HE LYS 39 2HE LYS 39 -17.627 -27.838 -19.620 662 2HE LYS 39 1HE LYS 39 -18.045 -28.335 -21.273 663 1HZ LYS 39 2HZ LYS 39 -17.434 -30.664 -20.485 664 2HZ LYS 39 1HZ LYS 39 -17.563 -30.044 -18.908 665 3HZ LYS 39 3HZ LYS 39 -18.911 -30.026 -19.937 666 H ARG 40 H ARG 40 -12.418 -28.503 -20.099 667 HA ARG 40 HA ARG 40 -12.283 -31.489 -20.232 668 1HB ARG 40 2HB ARG 40 -11.821 -29.325 -22.309 669 2HB ARG 40 1HB ARG 40 -11.857 -31.061 -22.627 670 1HG ARG 40 2HG ARG 40 -14.210 -30.729 -21.301 671 2HG ARG 40 1HG ARG 40 -14.075 -29.181 -22.136 672 1HD ARG 40 2HD ARG 40 -15.209 -30.614 -23.682 673 2HD ARG 40 1HD ARG 40 -13.526 -30.585 -24.248 674 HE ARG 40 HE ARG 40 -13.738 -32.661 -22.327 675 1HH1 ARG 40 2HH1 ARG 40 -16.116 -32.258 -24.573 676 2HH1 ARG 40 1HH1 ARG 40 -15.775 -33.685 -25.493 677 1HH2 ARG 40 1HH2 ARG 40 -12.768 -34.323 -23.888 678 2HH2 ARG 40 2HH2 ARG 40 -13.880 -34.855 -25.105 679 H HIS 41 H HIS 41 -10.443 -28.977 -19.110 680 HA HIS 41 HA HIS 41 -8.134 -28.693 -18.724 681 1HB HIS 41 2HB HIS 41 -8.244 -31.676 -19.287 682 2HB HIS 41 1HB HIS 41 -6.966 -30.838 -18.410 683 HD1 HIS 41 HD1 HIS 41 -8.409 -29.070 -16.495 684 HD2 HIS 41 HD2 HIS 41 -9.769 -32.918 -17.348 685 HE1 HIS 41 HE1 HIS 41 -9.869 -29.762 -14.545 686 H ILE 42 H ILE 42 -8.575 -27.720 -21.125 687 HA ILE 42 HA ILE 42 -6.811 -29.155 -23.070 688 HB ILE 42 HB ILE 42 -8.762 -26.878 -23.532 689 1HG1 ILE 42 2HG1 ILE 42 -9.217 -29.872 -23.774 690 2HG1 ILE 42 1HG1 ILE 42 -9.949 -28.814 -22.571 691 1HG2 ILE 42 3HG2 ILE 42 -6.903 -28.386 -25.179 692 2HG2 ILE 42 2HG2 ILE 42 -8.555 -28.546 -25.775 693 3HG2 ILE 42 1HG2 ILE 42 -7.837 -26.947 -25.585 694 1HD1 ILE 42 1HD1 ILE 42 -10.347 -27.740 -25.230 695 2HD1 ILE 42 3HD1 ILE 42 -10.951 -29.395 -25.136 696 3HD1 ILE 42 2HD1 ILE 42 -11.551 -28.173 -24.015 697 H LYS 43 H LYS 43 -5.273 -27.832 -24.270 698 HA LYS 43 HA LYS 43 -4.037 -25.735 -22.611 699 1HB LYS 43 2HB LYS 43 -2.914 -27.677 -23.898 700 2HB LYS 43 1HB LYS 43 -3.192 -26.707 -25.345 701 1HG LYS 43 2HG LYS 43 -1.053 -26.011 -24.711 702 2HG LYS 43 1HG LYS 43 -2.071 -24.790 -23.945 703 1HD LYS 43 2HD LYS 43 -0.509 -25.524 -22.275 704 2HD LYS 43 1HD LYS 43 -2.065 -26.248 -21.866 705 1HE LYS 43 2HE LYS 43 -1.406 -28.379 -22.803 706 2HE LYS 43 1HE LYS 43 0.077 -27.677 -23.479 707 1HZ LYS 43 3HZ LYS 43 -0.611 -27.657 -20.589 708 2HZ LYS 43 2HZ LYS 43 0.427 -28.794 -21.309 709 3HZ LYS 43 1HZ LYS 43 0.846 -27.148 -21.291 710 H CYS 44 H CYS 44 -5.874 -24.173 -22.929 711 HA CYS 44 HA CYS 44 -6.825 -23.163 -25.356 712 1HB CYS 44 2HB CYS 44 -7.515 -22.617 -22.988 713 2HB CYS 44 1HB CYS 44 -6.109 -21.560 -22.885 714 HA PRO 45 HA PRO 45 -3.066 -21.485 -27.161 715 1HB PRO 45 2HB PRO 45 -4.611 -19.765 -28.870 716 2HB PRO 45 1HB PRO 45 -3.811 -21.281 -29.293 717 1HG PRO 45 2HG PRO 45 -6.621 -20.798 -29.047 718 2HG PRO 45 1HG PRO 45 -5.814 -22.322 -29.427 719 1HD PRO 45 2HD PRO 45 -7.148 -21.574 -26.969 720 2HD PRO 45 1HD PRO 45 -6.382 -23.129 -27.375 721 H GLY 46 H GLY 46 -5.721 -19.079 -26.931 722 1HA GLY 46 2HA GLY 46 -5.338 -17.415 -24.979 723 2HA GLY 46 1HA GLY 46 -3.763 -17.171 -25.734 724 H GLY 47 H GLY 47 -7.240 -17.060 -26.526 725 1HA GLY 47 2HA GLY 47 -6.778 -14.517 -27.957 726 2HA GLY 47 1HA GLY 47 -7.411 -15.850 -28.925 727 H ASN 48 H ASN 48 -9.081 -13.807 -28.880 728 HA ASN 48 HA ASN 48 -11.277 -14.728 -27.098 729 1HB ASN 48 2HB ASN 48 -9.738 -12.230 -26.924 730 2HB ASN 48 1HB ASN 48 -11.486 -11.987 -26.949 731 1HD2 ASN 48 2HD2 ASN 48 -11.873 -14.166 -23.977 732 2HD2 ASN 48 1HD2 ASN 48 -12.499 -14.114 -25.556 733 HA PRO 49 HA PRO 49 -12.829 -15.832 -27.672 734 1HB PRO 49 2HB PRO 49 -13.366 -17.395 -30.019 735 2HB PRO 49 1HB PRO 49 -14.523 -16.818 -28.825 736 1HG PRO 49 2HG PRO 49 -14.234 -15.938 -31.515 737 2HG PRO 49 1HG PRO 49 -15.309 -15.279 -30.281 738 1HD PRO 49 2HD PRO 49 -12.875 -14.110 -31.376 739 2HD PRO 49 1HD PRO 49 -14.051 -13.378 -30.257 740 H CYS 50 H CYS 50 -11.526 -17.791 -27.375 741 HA CYS 50 HA CYS 50 -8.842 -17.647 -28.410 742 1HB CYS 50 2HB CYS 50 -8.545 -19.703 -27.139 743 2HB CYS 50 1HB CYS 50 -9.603 -18.636 -26.222 744 H GLN 51 H GLN 51 -8.905 -20.747 -28.873 745 HA GLN 51 HA GLN 51 -10.120 -20.710 -31.605 746 1HB GLN 51 2HB GLN 51 -7.550 -20.153 -31.299 747 2HB GLN 51 1HB GLN 51 -7.409 -21.905 -31.136 748 1HG GLN 51 2HG GLN 51 -7.423 -22.017 -33.386 749 2HG GLN 51 1HG GLN 51 -9.119 -21.540 -33.319 750 1HE2 GLN 51 2HE2 GLN 51 -8.433 -18.102 -34.151 751 2HE2 GLN 51 1HE2 GLN 51 -9.516 -19.090 -33.294 752 H LYS 52 H LYS 52 -8.726 -22.659 -28.968 753 HA LYS 52 HA LYS 52 -9.277 -25.242 -29.975 754 1HB LYS 52 2HB LYS 52 -8.973 -23.931 -27.309 755 2HB LYS 52 1HB LYS 52 -9.608 -25.579 -27.334 756 1HG LYS 52 2HG LYS 52 -7.059 -24.720 -28.733 757 2HG LYS 52 1HG LYS 52 -7.105 -25.477 -27.141 758 1HD LYS 52 2HD LYS 52 -7.352 -27.525 -28.046 759 2HD LYS 52 1HD LYS 52 -8.707 -26.980 -29.035 760 1HE LYS 52 2HE LYS 52 -7.226 -27.443 -30.748 761 2HE LYS 52 1HE LYS 52 -6.655 -25.804 -30.376 762 1HZ LYS 52 3HZ LYS 52 -5.113 -26.746 -28.764 763 2HZ LYS 52 2HZ LYS 52 -5.640 -28.315 -29.149 764 3HZ LYS 52 1HZ LYS 52 -4.821 -27.382 -30.309 765 H CYS 53 H CYS 53 -11.435 -22.822 -28.662 766 HA CYS 53 HA CYS 53 -13.679 -24.782 -28.550 767 1HB CYS 53 2HB CYS 53 -13.386 -21.877 -27.809 768 2HB CYS 53 1HB CYS 53 -14.798 -22.858 -27.477 769 H VAL 54 H VAL 54 -12.765 -21.668 -30.011 770 HA VAL 54 HA VAL 54 -15.038 -21.220 -31.615 771 HB VAL 54 HB VAL 54 -12.204 -20.770 -32.597 772 1HG1 VAL 54 2HG1 VAL 54 -14.669 -20.080 -33.622 773 2HG1 VAL 54 1HG1 VAL 54 -14.215 -18.625 -32.729 774 3HG1 VAL 54 3HG1 VAL 54 -13.155 -19.255 -33.994 775 1HG2 VAL 54 1HG2 VAL 54 -13.676 -19.397 -30.351 776 2HG2 VAL 54 3HG2 VAL 54 -12.006 -19.964 -30.381 777 3HG2 VAL 54 2HG2 VAL 54 -12.469 -18.535 -31.303 778 H THR 55 H THR 55 -12.470 -23.531 -31.889 779 HA THR 55 HA THR 55 -13.173 -24.348 -34.617 780 HB THR 55 HB THR 55 -10.865 -24.159 -33.671 781 HG1 THR 55 HG1 THR 55 -10.189 -26.162 -34.536 782 1HG2 THR 55 2HG2 THR 55 -11.726 -25.191 -31.431 783 2HG2 THR 55 1HG2 THR 55 -11.364 -26.729 -32.213 784 3HG2 THR 55 3HG2 THR 55 -10.084 -25.540 -31.967 785 H SER 56 H SER 56 -13.604 -25.528 -31.295 786 HA SER 56 HA SER 56 -14.929 -27.992 -32.380 787 1HB SER 56 2HB SER 56 -13.529 -27.263 -29.812 788 2HB SER 56 1HB SER 56 -14.525 -28.708 -29.933 789 HG SER 56 HG SER 56 -12.915 -29.612 -30.913 790 H ASN 57 H ASN 57 -15.372 -25.341 -30.058 791 HA ASN 57 HA ASN 57 -18.242 -25.504 -30.334 792 1HB ASN 57 2HB ASN 57 -18.513 -25.929 -27.819 793 2HB ASN 57 1HB ASN 57 -18.007 -27.303 -28.795 794 1HD2 ASN 57 2HD2 ASN 57 -14.773 -27.512 -27.335 795 2HD2 ASN 57 1HD2 ASN 57 -15.763 -28.020 -28.615 796 H ALA 58 H ALA 58 -17.133 -23.416 -31.038 797 HA ALA 58 HA ALA 58 -15.956 -21.382 -29.763 798 1HB ALA 58 1HB ALA 58 -17.444 -21.639 -31.946 799 2HB ALA 58 3HB ALA 58 -18.604 -20.742 -30.967 800 3HB ALA 58 2HB ALA 58 -17.016 -20.051 -31.306 801 H ILE 59 H ILE 59 -16.189 -21.541 -27.504 802 HA ILE 59 HA ILE 59 -18.430 -19.981 -26.360 803 HB ILE 59 HB ILE 59 -17.617 -22.796 -25.577 804 1HG1 ILE 59 2HG1 ILE 59 -19.228 -22.668 -27.447 805 2HG1 ILE 59 1HG1 ILE 59 -20.000 -23.319 -26.001 806 1HG2 ILE 59 3HG2 ILE 59 -18.732 -20.641 -23.985 807 2HG2 ILE 59 2HG2 ILE 59 -19.846 -22.007 -24.059 808 3HG2 ILE 59 1HG2 ILE 59 -18.201 -22.243 -23.470 809 1HD1 ILE 59 2HD1 ILE 59 -20.241 -20.486 -25.877 810 2HD1 ILE 59 1HD1 ILE 59 -20.723 -20.982 -27.499 811 3HD1 ILE 59 3HD1 ILE 59 -21.526 -21.673 -26.090 812 H CYS 60 H CYS 60 -16.027 -19.035 -26.748 813 HA CYS 60 HA CYS 60 -14.200 -19.607 -24.500 814 1HB CYS 60 2HB CYS 60 -13.665 -17.364 -26.401 815 2HB CYS 60 1HB CYS 60 -12.578 -18.609 -25.812 816 H GLU 61 H GLU 61 -14.255 -18.438 -22.638 817 HA GLU 61 HA GLU 61 -15.034 -15.584 -22.684 818 1HB GLU 61 2HB GLU 61 -16.723 -17.844 -21.792 819 2HB GLU 61 1HB GLU 61 -16.638 -16.494 -20.661 820 1HG GLU 61 2HG GLU 61 -17.022 -15.058 -22.856 821 2HG GLU 61 1HG GLU 61 -17.723 -16.563 -23.451 822 H TYR 62 H TYR 62 -13.481 -14.652 -21.411 823 HA TYR 62 HA TYR 62 -12.230 -16.252 -19.232 824 1HB TYR 62 2HB TYR 62 -11.546 -13.635 -20.608 825 2HB TYR 62 1HB TYR 62 -10.571 -14.359 -19.329 826 HD1 TYR 62 HD1 TYR 62 -10.722 -17.242 -19.962 827 HD2 TYR 62 HD2 TYR 62 -10.261 -13.842 -22.583 828 HE1 TYR 62 HE1 TYR 62 -9.591 -18.690 -21.643 829 HE2 TYR 62 HE2 TYR 62 -9.129 -15.293 -24.265 830 HH TYR 62 HH TYR 62 -7.820 -17.484 -24.226 831 H LEU 63 H LEU 63 -13.095 -12.794 -19.596 832 HA LEU 63 HA LEU 63 -14.721 -12.866 -17.138 833 1HB LEU 63 2HB LEU 63 -12.141 -12.729 -16.667 834 2HB LEU 63 1HB LEU 63 -12.316 -11.054 -17.189 835 HG LEU 63 HG LEU 63 -12.566 -11.244 -14.742 836 1HD1 LEU 63 2HD1 LEU 63 -13.979 -9.661 -16.263 837 2HD1 LEU 63 1HD1 LEU 63 -15.321 -10.724 -15.842 838 3HD1 LEU 63 3HD1 LEU 63 -14.453 -9.856 -14.576 839 1HD2 LEU 63 2HD2 LEU 63 -13.864 -13.621 -15.345 840 2HD2 LEU 63 1HD2 LEU 63 -13.823 -12.854 -13.758 841 3HD2 LEU 63 3HD2 LEU 63 -15.184 -12.564 -14.843 842 H GLU 64 H GLU 64 -16.417 -11.553 -17.669 843 HA GLU 64 HA GLU 64 -16.058 -8.814 -18.522 844 1HB GLU 64 2HB GLU 64 -15.428 -10.089 -20.579 845 2HB GLU 64 1HB GLU 64 -17.034 -10.818 -20.585 846 1HG GLU 64 2HG GLU 64 -18.087 -8.661 -20.883 847 2HG GLU 64 1HG GLU 64 -16.547 -7.829 -20.664 848 HA PRO 65 HA PRO 65 -20.100 -9.881 -16.518 849 1HB PRO 65 2HB PRO 65 -20.113 -7.173 -15.548 850 2HB PRO 65 1HB PRO 65 -19.890 -8.660 -14.621 851 1HG PRO 65 2HG PRO 65 -17.923 -6.672 -15.257 852 2HG PRO 65 1HG PRO 65 -17.702 -8.165 -14.338 853 1HD PRO 65 2HD PRO 65 -16.747 -7.584 -17.007 854 2HD PRO 65 1HD PRO 65 -16.545 -9.088 -16.074 855 H SER 66 H SER 66 -19.143 -6.865 -18.171 856 HA SER 66 HA SER 66 -21.604 -7.032 -19.828 857 1HB SER 66 2HB SER 66 -22.292 -5.701 -17.936 858 2HB SER 66 1HB SER 66 -20.807 -4.756 -17.990 859 HG SER 66 HG SER 66 -22.951 -4.017 -19.058 860 H LYS 67 H LYS 67 -19.265 -4.406 -19.213 861 HA LYS 67 HA LYS 67 -17.934 -4.901 -21.812 862 1HB LYS 67 2HB LYS 67 -20.195 -3.347 -21.699 863 2HB LYS 67 1HB LYS 67 -18.928 -2.138 -21.488 864 1HG LYS 67 2HG LYS 67 -17.801 -2.936 -23.519 865 2HG LYS 67 1HG LYS 67 -19.031 -4.184 -23.725 866 1HD LYS 67 2HD LYS 67 -20.273 -1.589 -23.389 867 2HD LYS 67 1HD LYS 67 -19.116 -1.551 -24.720 868 1HE LYS 67 2HE LYS 67 -20.475 -2.808 -26.032 869 2HE LYS 67 1HE LYS 67 -20.714 -4.002 -24.742 870 1HZ LYS 67 3HZ LYS 67 -21.996 -1.325 -24.763 871 2HZ LYS 67 2HZ LYS 67 -22.757 -2.729 -25.343 872 3HZ LYS 67 1HZ LYS 67 -22.321 -2.610 -23.706 873 H LYS 68 H LYS 68 -15.829 -4.818 -21.087 874 HA LYS 68 HA LYS 68 -15.064 -2.586 -19.233 875 1HB LYS 68 2HB LYS 68 -14.088 -5.414 -19.664 876 2HB LYS 68 1HB LYS 68 -13.120 -4.232 -18.783 877 1HG LYS 68 2HG LYS 68 -15.565 -3.895 -17.604 878 2HG LYS 68 1HG LYS 68 -15.595 -5.622 -17.967 879 1HD LYS 68 2HD LYS 68 -13.375 -5.860 -16.860 880 2HD LYS 68 1HD LYS 68 -13.435 -4.151 -16.427 881 1HE LYS 68 2HE LYS 68 -15.615 -6.107 -15.635 882 2HE LYS 68 1HE LYS 68 -14.225 -5.732 -14.594 883 1HZ LYS 68 3HZ LYS 68 -14.766 -3.352 -14.896 884 2HZ LYS 68 2HZ LYS 68 -16.186 -3.800 -15.714 885 3HZ LYS 68 1HZ LYS 68 -15.981 -4.206 -14.078 886 H ILE 69 H ILE 69 -12.906 -1.642 -19.643 887 HA ILE 69 HA ILE 69 -12.372 -1.394 -22.528 888 HB ILE 69 HB ILE 69 -12.343 0.257 -20.267 889 1HG1 ILE 69 2HG1 ILE 69 -12.908 1.010 -22.485 890 2HG1 ILE 69 1HG1 ILE 69 -11.560 1.989 -21.916 891 1HG2 ILE 69 1HG2 ILE 69 -9.947 -0.681 -19.926 892 2HG2 ILE 69 3HG2 ILE 69 -9.524 0.304 -21.326 893 3HG2 ILE 69 2HG2 ILE 69 -10.175 1.065 -19.877 894 1HD1 ILE 69 3HD1 ILE 69 -10.172 0.013 -23.104 895 2HD1 ILE 69 2HD1 ILE 69 -11.642 -0.060 -24.072 896 3HD1 ILE 69 1HD1 ILE 69 -10.720 1.440 -23.982 897 H VAL 70 H VAL 70 -10.320 -1.879 -23.469 898 HA VAL 70 HA VAL 70 -8.300 -3.285 -21.818 899 HB VAL 70 HB VAL 70 -9.543 -4.546 -24.283 900 1HG1 VAL 70 2HG1 VAL 70 -7.200 -5.174 -23.608 901 2HG1 VAL 70 1HG1 VAL 70 -7.850 -5.728 -22.065 902 3HG1 VAL 70 3HG1 VAL 70 -8.338 -6.521 -23.564 903 1HG2 VAL 70 2HG2 VAL 70 -10.135 -5.008 -21.341 904 2HG2 VAL 70 1HG2 VAL 70 -11.273 -4.480 -22.582 905 3HG2 VAL 70 3HG2 VAL 70 -10.619 -6.117 -22.623 906 H VAL 71 H VAL 71 -6.668 -1.836 -22.382 907 HA VAL 71 HA VAL 71 -5.816 -1.823 -25.216 908 HB VAL 71 HB VAL 71 -5.801 0.665 -25.228 909 1HG1 VAL 71 1HG1 VAL 71 -7.832 -0.718 -25.926 910 2HG1 VAL 71 3HG1 VAL 71 -8.525 -0.315 -24.355 911 3HG1 VAL 71 2HG1 VAL 71 -8.150 0.966 -25.508 912 1HG2 VAL 71 3HG2 VAL 71 -6.360 0.191 -22.391 913 2HG2 VAL 71 2HG2 VAL 71 -5.724 1.633 -23.181 914 3HG2 VAL 71 1HG2 VAL 71 -7.465 1.358 -23.115 915 H SER 72 H SER 72 -4.023 0.480 -24.653 916 HA SER 72 HA SER 72 -1.905 -1.010 -23.227 917 1HB SER 72 2HB SER 72 -1.399 0.008 -25.365 918 2HB SER 72 1HB SER 72 -2.052 1.556 -24.836 919 HG SER 72 HG SER 72 0.052 1.805 -24.461 920 H THR 73 H THR 73 -1.643 -0.654 -21.049 921 HA THR 73 HA THR 73 -3.015 1.303 -19.526 922 HB THR 73 HB THR 73 -1.939 -0.775 -18.691 923 HG1 THR 73 HG1 THR 73 -1.276 0.133 -16.789 924 1HG2 THR 73 2HG2 THR 73 0.615 0.779 -19.180 925 2HG2 THR 73 1HG2 THR 73 0.514 -0.747 -18.302 926 3HG2 THR 73 3HG2 THR 73 0.111 -0.689 -20.018 927 H LYS 74 H LYS 74 0.054 1.479 -21.258 928 HA LYS 74 HA LYS 74 1.243 3.755 -20.101 929 1HB LYS 74 2HB LYS 74 1.574 2.125 -22.332 930 2HB LYS 74 1HB LYS 74 1.279 3.717 -23.033 931 1HG LYS 74 2HG LYS 74 3.022 4.193 -20.889 932 2HG LYS 74 1HG LYS 74 3.641 2.732 -21.659 933 1HD LYS 74 2HD LYS 74 4.325 3.866 -23.493 934 2HD LYS 74 1HD LYS 74 2.813 4.766 -23.596 935 1HE LYS 74 2HE LYS 74 4.530 6.394 -23.147 936 2HE LYS 74 1HE LYS 74 3.683 6.150 -21.606 937 1HZ LYS 74 3HZ LYS 74 5.324 4.420 -21.065 938 2HZ LYS 74 2HZ LYS 74 6.176 4.790 -22.488 939 3HZ LYS 74 1HZ LYS 74 6.043 5.945 -21.248 940 H TYR 75 H TYR 75 -0.950 3.756 -22.941 941 HA TYR 75 HA TYR 75 -1.372 6.561 -23.068 942 1HB TYR 75 2HB TYR 75 -2.354 5.654 -24.910 943 2HB TYR 75 1HB TYR 75 -2.428 4.070 -24.150 944 HD1 TYR 75 HD2 TYR 75 -4.138 7.423 -23.850 945 HD2 TYR 75 HD1 TYR 75 -4.549 3.123 -23.880 946 HE1 TYR 75 HE2 TYR 75 -6.603 7.657 -23.616 947 HE2 TYR 75 HE1 TYR 75 -7.013 3.358 -23.648 948 HH TYR 75 HH TYR 75 -8.707 5.849 -24.352 949 H LEU 76 H LEU 76 -3.284 4.036 -21.425 950 HA LEU 76 HA LEU 76 -5.285 5.560 -20.221 951 1HB LEU 76 2HB LEU 76 -4.084 2.988 -20.025 952 2HB LEU 76 1HB LEU 76 -4.234 3.611 -18.385 953 HG LEU 76 HG LEU 76 -6.264 2.392 -19.070 954 1HD1 LEU 76 3HD1 LEU 76 -6.099 4.876 -17.858 955 2HD1 LEU 76 2HD1 LEU 76 -7.344 5.113 -19.083 956 3HD1 LEU 76 1HD1 LEU 76 -7.526 3.841 -17.875 957 1HD2 LEU 76 3HD2 LEU 76 -5.869 3.227 -21.543 958 2HD2 LEU 76 2HD2 LEU 76 -7.510 2.939 -20.964 959 3HD2 LEU 76 1HD2 LEU 76 -6.875 4.583 -21.029 960 H GLN 77 H GLN 77 -1.935 5.058 -19.099 961 HA GLN 77 HA GLN 77 -2.256 6.547 -16.635 962 1HB GLN 77 2HB GLN 77 -0.283 5.022 -18.061 963 2HB GLN 77 1HB GLN 77 0.441 6.551 -17.556 964 1HG GLN 77 2HG GLN 77 0.757 5.437 -15.587 965 2HG GLN 77 1HG GLN 77 -0.920 5.908 -15.302 966 1HE2 GLN 77 2HE2 GLN 77 -2.154 2.602 -15.506 967 2HE2 GLN 77 1HE2 GLN 77 -2.523 4.244 -15.296 968 H GLN 78 H GLN 78 -0.863 7.363 -19.835 969 HA GLN 78 HA GLN 78 -0.168 10.072 -19.194 970 1HB GLN 78 2HB GLN 78 0.537 8.592 -21.159 971 2HB GLN 78 1HB GLN 78 -1.031 8.958 -21.879 972 1HG GLN 78 2HG GLN 78 -0.355 11.014 -22.521 973 2HG GLN 78 1HG GLN 78 0.307 11.366 -20.924 974 1HE2 GLN 78 1HE2 GLN 78 2.578 11.082 -20.607 975 2HE2 GLN 78 2HE2 GLN 78 3.634 10.607 -21.847 976 H LEU 79 H LEU 79 -3.182 8.516 -20.025 977 HA LEU 79 HA LEU 79 -4.642 10.881 -20.841 978 1HB LEU 79 2HB LEU 79 -4.974 8.124 -20.793 979 2HB LEU 79 1HB LEU 79 -6.138 8.685 -19.592 980 HG LEU 79 HG LEU 79 -7.132 8.583 -21.866 981 1HD1 LEU 79 3HD1 LEU 79 -6.936 10.995 -20.197 982 2HD1 LEU 79 2HD1 LEU 79 -7.444 11.319 -21.855 983 3HD1 LEU 79 1HD1 LEU 79 -8.362 10.194 -20.854 984 1HD2 LEU 79 2HD2 LEU 79 -4.801 9.268 -22.881 985 2HD2 LEU 79 1HD2 LEU 79 -6.283 9.789 -23.681 986 3HD2 LEU 79 3HD2 LEU 79 -5.398 10.911 -22.647 987 H GLN 80 H GLN 80 -4.337 9.082 -17.782 988 HA GLN 80 HA GLN 80 -6.148 10.749 -16.283 989 1HB GLN 80 2HB GLN 80 -4.501 8.427 -15.981 990 2HB GLN 80 1HB GLN 80 -4.152 9.523 -14.644 991 1HG GLN 80 2HG GLN 80 -6.139 9.075 -13.674 992 2HG GLN 80 1HG GLN 80 -7.004 9.418 -15.171 993 1HE2 GLN 80 2HE2 GLN 80 -6.582 5.920 -16.290 994 2HE2 GLN 80 1HE2 GLN 80 -6.266 7.468 -16.912 995 H LYS 81 H LYS 81 -2.564 10.656 -16.504 996 HA LYS 81 HA LYS 81 -2.020 12.823 -14.744 997 1HB LYS 81 2HB LYS 81 -0.706 11.257 -16.837 998 2HB LYS 81 1HB LYS 81 -0.138 12.927 -16.818 999 1HG LYS 81 2HG LYS 81 -0.087 12.480 -14.183 1000 2HG LYS 81 1HG LYS 81 0.118 10.814 -14.726 1001 1HD LYS 81 2HD LYS 81 1.865 12.075 -16.378 1002 2HD LYS 81 1HD LYS 81 1.969 13.116 -14.958 1003 1HE LYS 81 2HE LYS 81 2.321 11.025 -13.562 1004 2HE LYS 81 1HE LYS 81 2.481 10.129 -15.085 1005 1HZ LYS 81 2HZ LYS 81 4.017 12.595 -14.490 1006 2HZ LYS 81 1HZ LYS 81 4.616 11.039 -14.165 1007 3HZ LYS 81 3HZ LYS 81 4.269 11.496 -15.760 1008 H ASP 82 H ASP 82 -2.929 12.774 -18.176 1009 HA ASP 82 HA ASP 82 -2.523 15.513 -18.805 1010 1HB ASP 82 2HB ASP 82 -3.493 13.279 -20.043 1011 2HB ASP 82 1HB ASP 82 -4.985 14.183 -19.791 1012 H LEU 83 H LEU 83 -5.238 13.831 -17.236 1013 HA LEU 83 HA LEU 83 -7.012 16.042 -16.943 1014 1HB LEU 83 2HB LEU 83 -6.848 13.347 -16.226 1015 2HB LEU 83 1HB LEU 83 -6.909 14.191 -14.678 1016 HG LEU 83 HG LEU 83 -8.821 14.872 -16.911 1017 1HD1 LEU 83 3HD1 LEU 83 -8.767 12.501 -15.131 1018 2HD1 LEU 83 2HD1 LEU 83 -10.305 13.360 -15.187 1019 3HD1 LEU 83 1HD1 LEU 83 -9.591 12.730 -16.672 1020 1HD2 LEU 83 3HD2 LEU 83 -8.404 15.579 -14.075 1021 2HD2 LEU 83 2HD2 LEU 83 -9.216 16.484 -15.351 1022 3HD2 LEU 83 1HD2 LEU 83 -10.076 15.207 -14.492 1023 H ASN 84 H ASN 84 -4.482 14.769 -14.747 1024 HA ASN 84 HA ASN 84 -4.723 16.779 -12.730 1025 1HB ASN 84 2HB ASN 84 -3.208 14.524 -13.279 1026 2HB ASN 84 1HB ASN 84 -2.013 15.815 -13.310 1027 1HD2 ASN 84 2HD2 ASN 84 -2.033 16.217 -9.813 1028 2HD2 ASN 84 1HD2 ASN 84 -1.299 16.589 -11.298 1029 H ASP 85 H ASP 85 -3.218 16.714 -15.898 1030 HA ASP 85 HA ASP 85 -1.574 19.076 -15.598 1031 1HB ASP 85 2HB ASP 85 -1.714 17.131 -17.400 1032 2HB ASP 85 1HB ASP 85 -2.851 18.227 -18.186 1033 H LYS 86 H LYS 86 -4.976 18.546 -15.952 1034 HA LYS 86 HA LYS 86 -5.625 21.178 -17.076 1035 1HB LYS 86 2HB LYS 86 -7.090 19.202 -17.316 1036 2HB LYS 86 1HB LYS 86 -7.248 19.093 -15.572 1037 1HG LYS 86 2HG LYS 86 -8.334 21.271 -15.489 1038 2HG LYS 86 1HG LYS 86 -8.111 21.478 -17.225 1039 1HD LYS 86 2HD LYS 86 -10.234 20.623 -17.305 1040 2HD LYS 86 1HD LYS 86 -9.372 19.086 -17.216 1041 1HE LYS 86 2HE LYS 86 -10.393 18.632 -15.248 1042 2HE LYS 86 1HE LYS 86 -9.695 20.106 -14.544 1043 1HZ LYS 86 2HZ LYS 86 -11.452 21.383 -15.674 1044 2HZ LYS 86 1HZ LYS 86 -12.165 19.930 -16.189 1045 3HZ LYS 86 3HZ LYS 86 -12.082 20.291 -14.534 1046 H THR 87 H THR 87 -5.326 19.614 -13.969 1047 HA THR 87 HA THR 87 -6.373 21.797 -12.402 1048 HB THR 87 HB THR 87 -4.880 19.206 -12.016 1049 HG1 THR 87 HG1 THR 87 -6.762 18.622 -11.273 1050 1HG2 THR 87 3HG2 THR 87 -4.988 21.462 -10.052 1051 2HG2 THR 87 2HG2 THR 87 -5.171 19.813 -9.453 1052 3HG2 THR 87 1HG2 THR 87 -3.713 20.277 -10.333 1053 H GLU 88 H GLU 88 -3.108 20.628 -13.268 1054 HA GLU 88 HA GLU 88 -1.629 22.687 -11.916 1055 1HB GLU 88 2HB GLU 88 -0.719 20.531 -12.763 1056 2HB GLU 88 1HB GLU 88 -1.004 21.075 -14.417 1057 1HG GLU 88 2HG GLU 88 0.421 23.174 -13.554 1058 2HG GLU 88 1HG GLU 88 1.076 21.950 -12.467 1059 H GLU 89 H GLU 89 -3.163 22.448 -15.086 1060 HA GLU 89 HA GLU 89 -2.060 24.927 -16.147 1061 1HB GLU 89 2HB GLU 89 -4.123 22.890 -16.817 1062 2HB GLU 89 1HB GLU 89 -4.362 24.489 -17.519 1063 1HG GLU 89 2HG GLU 89 -1.597 23.825 -17.782 1064 2HG GLU 89 1HG GLU 89 -2.542 22.452 -18.360 1065 H ASN 90 H ASN 90 -5.235 23.992 -14.803 1066 HA ASN 90 HA ASN 90 -6.513 26.503 -14.755 1067 1HB ASN 90 2HB ASN 90 -6.619 23.901 -13.361 1068 2HB ASN 90 1HB ASN 90 -7.301 25.229 -12.432 1069 1HD2 ASN 90 2HD2 ASN 90 -9.265 23.832 -15.702 1070 2HD2 ASN 90 1HD2 ASN 90 -7.769 23.182 -15.230 1071 H ASN 91 H ASN 91 -3.952 25.192 -12.776 1072 HA ASN 91 HA ASN 91 -4.083 27.200 -10.663 1073 1HB ASN 91 2HB ASN 91 -2.417 24.885 -11.534 1074 2HB ASN 91 1HB ASN 91 -1.630 26.062 -10.487 1075 1HD2 ASN 91 2HD2 ASN 91 -4.841 23.950 -9.010 1076 2HD2 ASN 91 1HD2 ASN 91 -4.699 24.175 -10.687 1077 H ARG 92 H ARG 92 -2.125 26.656 -13.592 1078 HA ARG 92 HA ARG 92 -0.478 29.037 -13.178 1079 1HB ARG 92 2HB ARG 92 0.141 26.899 -14.386 1080 2HB ARG 92 1HB ARG 92 -0.959 27.391 -15.673 1081 1HG ARG 92 2HG ARG 92 0.331 29.507 -15.925 1082 2HG ARG 92 1HG ARG 92 1.470 28.928 -14.709 1083 1HD ARG 92 2HD ARG 92 2.173 27.102 -16.106 1084 2HD ARG 92 1HD ARG 92 0.846 27.387 -17.249 1085 HE ARG 92 HE ARG 92 2.283 29.814 -17.029 1086 1HH1 ARG 92 2HH1 ARG 92 4.229 27.268 -17.042 1087 2HH1 ARG 92 1HH1 ARG 92 4.756 27.362 -18.689 1088 1HH2 ARG 92 1HH2 ARG 92 2.319 29.646 -19.618 1089 2HH2 ARG 92 2HH2 ARG 92 3.676 28.708 -20.147 1090 H LEU 93 H LEU 93 -2.966 28.138 -15.605 1091 HA LEU 93 HA LEU 93 -3.243 30.561 -16.963 1092 1HB LEU 93 2HB LEU 93 -5.324 28.549 -16.047 1093 2HB LEU 93 1HB LEU 93 -5.617 29.773 -17.283 1094 HG LEU 93 HG LEU 93 -3.278 27.888 -17.509 1095 1HD1 LEU 93 3HD1 LEU 93 -5.592 26.723 -17.214 1096 2HD1 LEU 93 2HD1 LEU 93 -5.936 27.358 -18.823 1097 3HD1 LEU 93 1HD1 LEU 93 -4.582 26.253 -18.582 1098 1HD2 LEU 93 1HD2 LEU 93 -3.401 29.898 -18.963 1099 2HD2 LEU 93 3HD2 LEU 93 -3.541 28.408 -19.897 1100 3HD2 LEU 93 2HD2 LEU 93 -4.979 29.366 -19.543 1101 H LYS 94 H LYS 94 -4.524 29.659 -13.785 1102 HA LYS 94 HA LYS 94 -6.162 32.015 -13.415 1103 1HB LYS 94 2HB LYS 94 -5.027 29.773 -11.783 1104 2HB LYS 94 1HB LYS 94 -5.654 31.180 -10.923 1105 1HG LYS 94 2HG LYS 94 -7.805 30.955 -12.111 1106 2HG LYS 94 1HG LYS 94 -7.181 29.546 -12.970 1107 1HD LYS 94 2HD LYS 94 -8.214 28.451 -11.229 1108 2HD LYS 94 1HD LYS 94 -6.654 28.751 -10.462 1109 1HE LYS 94 2HE LYS 94 -8.451 31.043 -10.190 1110 2HE LYS 94 1HE LYS 94 -9.121 29.571 -9.460 1111 1HZ LYS 94 3HZ LYS 94 -6.304 30.412 -9.079 1112 2HZ LYS 94 2HZ LYS 94 -7.545 30.869 -8.011 1113 3HZ LYS 94 1HZ LYS 94 -7.160 29.227 -8.219 1114 H ALA 95 H ALA 95 -2.786 31.166 -12.668 1115 HA ALA 95 HA ALA 95 -2.343 33.821 -11.407 1116 1HB ALA 95 2HB ALA 95 -1.200 31.156 -11.358 1117 2HB ALA 95 1HB ALA 95 0.057 32.361 -11.640 1118 3HB ALA 95 3HB ALA 95 -0.973 32.478 -10.213 1119 H LEU 96 H LEU 96 -2.250 32.527 -14.539 1120 HA LEU 96 HA LEU 96 0.068 34.105 -15.464 1121 1HB LEU 96 2HB LEU 96 -0.797 31.753 -16.218 1122 2HB LEU 96 1HB LEU 96 -1.960 32.671 -17.173 1123 HG LEU 96 HG LEU 96 -0.019 33.958 -18.148 1124 1HD1 LEU 96 1HD1 LEU 96 1.374 32.327 -16.173 1125 2HD1 LEU 96 3HD1 LEU 96 2.067 32.136 -17.782 1126 3HD1 LEU 96 2HD1 LEU 96 1.947 33.740 -17.059 1127 1HD2 LEU 96 3HD2 LEU 96 -0.509 31.030 -18.527 1128 2HD2 LEU 96 2HD2 LEU 96 -0.767 32.363 -19.652 1129 3HD2 LEU 96 1HD2 LEU 96 0.863 31.752 -19.369 1130 H LEU 97 H LEU 97 -3.415 34.366 -15.279 1131 HA LEU 97 HA LEU 97 -3.381 36.754 -17.073 1132 1HB LEU 97 2HB LEU 97 -5.628 35.072 -15.914 1133 2HB LEU 97 1HB LEU 97 -5.839 36.389 -17.068 1134 HG LEU 97 HG LEU 97 -4.213 33.875 -17.556 1135 1HD1 LEU 97 2HD1 LEU 97 -6.966 34.767 -18.437 1136 2HD1 LEU 97 1HD1 LEU 97 -6.060 33.523 -19.297 1137 3HD1 LEU 97 3HD1 LEU 97 -6.522 33.273 -17.613 1138 1HD2 LEU 97 2HD2 LEU 97 -4.259 36.470 -18.823 1139 2HD2 LEU 97 1HD2 LEU 97 -3.263 35.068 -19.216 1140 3HD2 LEU 97 3HD2 LEU 97 -4.858 35.250 -19.947 1141 H LEU 98 H LEU 98 -4.200 35.686 -13.789 1142 HA LEU 98 HA LEU 98 -5.264 38.251 -12.931 1143 1HB LEU 98 2HB LEU 98 -4.102 35.915 -11.379 1144 2HB LEU 98 1HB LEU 98 -5.156 37.169 -10.727 1145 HG LEU 98 HG LEU 98 -5.899 35.268 -12.965 1146 1HD1 LEU 98 3HD1 LEU 98 -5.662 34.569 -10.362 1147 2HD1 LEU 98 2HD1 LEU 98 -7.294 35.239 -10.337 1148 3HD1 LEU 98 1HD1 LEU 98 -6.906 33.901 -11.420 1149 1HD2 LEU 98 3HD2 LEU 98 -7.191 37.634 -11.685 1150 2HD2 LEU 98 2HD2 LEU 98 -7.297 37.060 -13.349 1151 3HD2 LEU 98 1HD2 LEU 98 -8.231 36.266 -12.081 1152 H GLU 99 H GLU 99 -2.096 36.891 -13.275 1153 HA GLU 99 HA GLU 99 -0.715 38.593 -11.374 1154 1HB GLU 99 2HB GLU 99 0.159 36.447 -12.171 1155 2HB GLU 99 1HB GLU 99 0.189 37.053 -13.828 1156 1HG GLU 99 2HG GLU 99 2.120 38.196 -13.499 1157 2HG GLU 99 1HG GLU 99 1.608 38.776 -11.913 1158 H ARG 100 HN ARG 100 -1.160 38.723 -14.917 1159 HA ARG 100 HA ARG 100 0.208 41.314 -15.117 1160 1HB ARG 100 2HB ARG 100 -0.091 39.234 -16.774 1161 2HB ARG 100 1HB ARG 100 -1.507 40.158 -17.280 1162 1HG ARG 100 2HG ARG 100 -0.196 42.030 -17.915 1163 2HG ARG 100 1HG ARG 100 1.217 41.440 -17.041 1164 1HD ARG 100 2HD ARG 100 1.635 39.731 -18.646 1165 2HD ARG 100 1HD ARG 100 0.020 39.903 -19.362 1166 HE ARG 100 HE ARG 100 1.066 42.426 -19.646 1167 1HH1 ARG 100 1HH2 ARG 100 3.800 41.785 -19.779 1168 2HH1 ARG 100 2HH2 ARG 100 4.063 41.181 -21.381 1169 1HH2 ARG 100 1HH1 ARG 100 0.706 40.556 -21.983 1170 2HH2 ARG 100 2HH1 ARG 100 2.312 40.485 -22.629 No H/Q in entry = 1170
Contact the webmaster for help, if required. Tuesday, April 23, 2024 8:31:44 PM GMT (wattos1)