NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
2784 | 1cl4 | 4498 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H VAL 49 H VAL 49 53.754 -4.284 6.316 2 HA VAL 49 HA VAL 49 52.863 -4.155 3.474 3 HB VAL 49 HB VAL 49 53.934 -6.759 3.905 4 1HG1 VAL 49 1HG1 VAL 49 53.695 -5.468 1.770 5 2HG1 VAL 49 2HG1 VAL 49 55.056 -4.466 2.273 6 3HG1 VAL 49 3HG1 VAL 49 55.291 -6.189 1.979 7 1HG2 VAL 49 1HG2 VAL 49 55.876 -4.528 4.595 8 2HG2 VAL 49 2HG2 VAL 49 55.329 -5.796 5.692 9 3HG2 VAL 49 3HG2 VAL 49 56.322 -6.208 4.295 10 HA PRO 50 HA PRO 50 49.948 -6.500 6.255 11 1HB PRO 50 1HB PRO 50 47.995 -4.549 6.464 12 2HB PRO 50 2HB PRO 50 49.287 -4.802 7.644 13 1HG PRO 50 1HG PRO 50 48.971 -2.581 5.732 14 2HG PRO 50 2HG PRO 50 49.999 -2.689 7.159 15 1HD PRO 50 1HD PRO 50 50.800 -3.000 4.409 16 2HD PRO 50 2HD PRO 50 51.803 -3.124 5.866 17 H GLY 51 H GLY 51 47.962 -7.497 5.427 18 1HA GLY 51 1HA GLY 51 47.271 -6.633 2.643 19 2HA GLY 51 2HA GLY 51 47.485 -8.330 3.054 20 H LEU 52 H LEU 52 45.487 -9.173 2.810 21 HA LEU 52 HA LEU 52 43.047 -8.193 2.829 22 1HB LEU 52 1HB LEU 52 43.609 -10.680 2.750 23 2HB LEU 52 2HB LEU 52 43.409 -10.657 4.507 24 HG LEU 52 HG LEU 52 41.321 -9.552 2.594 25 1HD1 LEU 52 1HD1 LEU 52 41.854 -12.104 2.421 26 2HD1 LEU 52 2HD1 LEU 52 41.093 -12.204 4.010 27 3HD1 LEU 52 3HD1 LEU 52 40.176 -11.604 2.629 28 1HD2 LEU 52 1HD2 LEU 52 41.642 -9.748 5.492 29 2HD2 LEU 52 2HD2 LEU 52 40.568 -8.727 4.542 30 3HD2 LEU 52 3HD2 LEU 52 40.118 -10.388 4.919 31 H CYS 53 H CYS 53 42.736 -6.535 3.895 32 HA CYS 53 HA CYS 53 43.024 -5.427 6.262 33 1HB CYS 53 1HB CYS 53 41.380 -4.636 4.644 34 2HB CYS 53 2HB CYS 53 40.307 -5.981 5.029 35 HA PRO 54 HA PRO 54 42.077 -8.503 9.340 36 1HB PRO 54 1HB PRO 54 42.689 -6.913 11.498 37 2HB PRO 54 2HB PRO 54 43.911 -7.717 10.496 38 1HG PRO 54 1HG PRO 54 43.141 -4.837 10.566 39 2HG PRO 54 2HG PRO 54 44.684 -5.578 10.100 40 1HD PRO 54 1HD PRO 54 42.704 -4.600 8.324 41 2HD PRO 54 2HD PRO 54 44.093 -5.618 7.887 42 H ARG 55 H ARG 55 40.190 -6.065 8.405 43 HA ARG 55 HA ARG 55 38.304 -6.341 10.700 44 1HB ARG 55 1HB ARG 55 39.374 -3.993 9.886 45 2HB ARG 55 2HB ARG 55 37.986 -4.072 8.800 46 1HG ARG 55 1HG ARG 55 37.024 -3.034 10.641 47 2HG ARG 55 2HG ARG 55 36.693 -4.726 11.014 48 1HD ARG 55 1HD ARG 55 39.001 -4.665 12.226 49 2HD ARG 55 2HD ARG 55 38.791 -2.914 12.189 50 HE ARG 55 HE ARG 55 36.675 -4.652 13.378 51 1HH1 ARG 55 1HH1 ARG 55 37.367 -1.486 13.135 52 2HH1 ARG 55 2HH1 ARG 55 37.532 -1.157 14.828 53 1HH2 ARG 55 1HH2 ARG 55 37.581 -4.501 15.744 54 2HH2 ARG 55 2HH2 ARG 55 37.652 -2.863 16.304 55 H CYS 56 H CYS 56 38.607 -6.025 7.149 56 HA CYS 56 HA CYS 56 35.920 -7.305 6.971 57 1HB CYS 56 1HB CYS 56 35.620 -6.302 4.809 58 2HB CYS 56 2HB CYS 56 36.189 -5.025 5.882 59 H LYS 57 H LYS 57 36.635 -7.837 4.079 60 HA LYS 57 HA LYS 57 38.751 -9.753 4.088 61 1HB LYS 57 1HB LYS 57 35.878 -10.621 4.215 62 2HB LYS 57 2HB LYS 57 37.039 -11.583 3.300 63 1HG LYS 57 1HG LYS 57 37.531 -10.816 6.182 64 2HG LYS 57 2HG LYS 57 36.633 -12.259 5.745 65 1HD LYS 57 1HD LYS 57 38.953 -12.270 4.132 66 2HD LYS 57 2HD LYS 57 39.484 -11.858 5.763 67 1HE LYS 57 1HE LYS 57 37.517 -14.089 5.425 68 2HE LYS 57 2HE LYS 57 39.214 -14.391 5.049 69 1HZ LYS 57 1HZ LYS 57 38.457 -13.064 7.570 70 2HZ LYS 57 2HZ LYS 57 38.390 -14.757 7.441 71 3HZ LYS 57 3HZ LYS 57 39.861 -13.948 7.205 72 H ARG 58 H ARG 58 37.449 -7.378 2.584 73 HA ARG 58 HA ARG 58 37.597 -8.697 -0.093 74 1HB ARG 58 1HB ARG 58 35.297 -7.622 0.940 75 2HB ARG 58 2HB ARG 58 35.972 -6.236 0.083 76 1HG ARG 58 1HG ARG 58 36.163 -7.559 -1.969 77 2HG ARG 58 2HG ARG 58 35.563 -8.987 -1.126 78 1HD ARG 58 1HD ARG 58 33.650 -8.127 -2.214 79 2HD ARG 58 2HD ARG 58 33.495 -7.538 -0.559 80 HE ARG 58 HE ARG 58 34.161 -5.329 -1.335 81 1HH1 ARG 58 1HH1 ARG 58 35.460 -7.068 -3.750 82 2HH1 ARG 58 2HH1 ARG 58 34.679 -6.255 -5.065 83 1HH2 ARG 58 1HH2 ARG 58 32.443 -4.556 -3.028 84 2HH2 ARG 58 2HH2 ARG 58 32.966 -4.833 -4.656 85 H GLY 59 H GLY 59 39.535 -7.191 1.694 86 1HA GLY 59 1HA GLY 59 40.589 -5.494 -0.467 87 2HA GLY 59 2HA GLY 59 40.117 -4.608 0.989 88 H LYS 60 H LYS 60 42.786 -4.645 0.220 89 HA LYS 60 HA LYS 60 43.982 -6.459 2.278 90 1HB LYS 60 1HB LYS 60 44.751 -5.851 -0.502 91 2HB LYS 60 2HB LYS 60 46.081 -5.705 0.653 92 1HG LYS 60 1HG LYS 60 46.206 -7.943 0.916 93 2HG LYS 60 2HG LYS 60 44.465 -8.075 1.169 94 1HD LYS 60 1HD LYS 60 44.344 -7.665 -1.428 95 2HD LYS 60 2HD LYS 60 46.019 -8.217 -1.398 96 1HE LYS 60 1HE LYS 60 45.434 -10.341 -0.568 97 2HE LYS 60 2HE LYS 60 43.858 -9.787 -0.003 98 1HZ LYS 60 1HZ LYS 60 43.449 -9.311 -2.486 99 2HZ LYS 60 2HZ LYS 60 44.735 -10.386 -2.751 100 3HZ LYS 60 3HZ LYS 60 43.344 -10.914 -1.930 101 H HIS 61 H HIS 61 42.978 -4.207 3.258 102 HA HIS 61 HA HIS 61 45.350 -2.392 3.545 103 1HB HIS 61 1HB HIS 61 43.584 -0.620 3.985 104 2HB HIS 61 2HB HIS 61 43.765 -1.131 2.296 105 HD1 HIS 61 HD1 HIS 61 41.735 -2.168 1.184 106 HD2 HIS 61 HD2 HIS 61 41.314 -2.002 5.332 107 HE1 HIS 61 HE1 HIS 61 39.393 -2.988 1.706 108 H TRP 62 H TRP 62 44.609 -0.777 5.446 109 HA TRP 62 HA TRP 62 44.327 -2.577 7.768 110 1HB TRP 62 1HB TRP 62 45.075 0.192 8.325 111 2HB TRP 62 2HB TRP 62 45.922 -1.303 8.689 112 HD1 TRP 62 HD1 TRP 62 46.811 1.628 7.115 113 HE1 TRP 62 HE1 TRP 62 48.352 1.336 5.066 114 HE3 TRP 62 HE3 TRP 62 46.061 -3.312 6.167 115 HZ2 TRP 62 HZ2 TRP 62 49.134 -0.741 3.239 116 HZ3 TRP 62 HZ3 TRP 62 47.148 -4.406 4.255 117 HH2 TRP 62 HH2 TRP 62 48.709 -3.150 2.805 118 H ALA 63 H ALA 63 43.097 -1.786 9.644 119 HA ALA 63 HA ALA 63 40.425 -1.247 9.153 120 1HB ALA 63 1HB ALA 63 42.193 -0.745 11.521 121 2HB ALA 63 2HB ALA 63 40.524 -0.176 11.555 122 3HB ALA 63 3HB ALA 63 40.867 -1.893 11.342 123 H ASN 64 H ASN 64 42.534 1.304 10.531 124 HA ASN 64 HA ASN 64 40.953 3.510 10.220 125 1HB ASN 64 1HB ASN 64 43.902 3.145 9.767 126 2HB ASN 64 2HB ASN 64 43.160 4.720 9.461 127 1HD2 ASN 64 1HD2 ASN 64 43.409 2.202 12.028 128 2HD2 ASN 64 2HD2 ASN 64 43.265 3.296 13.318 129 H GLU 65 H GLU 65 42.770 1.953 7.593 130 HA GLU 65 HA GLU 65 41.315 3.703 5.658 131 1HB GLU 65 1HB GLU 65 43.729 3.794 5.381 132 2HB GLU 65 2HB GLU 65 43.829 2.030 5.353 133 1HG GLU 65 1HG GLU 65 43.288 1.945 3.163 134 2HG GLU 65 2HG GLU 65 41.929 3.049 3.386 135 H CYS 66 H CYS 66 39.531 2.021 6.468 136 HA CYS 66 HA CYS 66 39.521 -0.171 4.442 137 1HB CYS 66 1HB CYS 66 40.004 -1.344 6.449 138 2HB CYS 66 2HB CYS 66 38.890 -0.359 7.390 139 H LYS 67 H LYS 67 37.581 -0.497 3.446 140 HA LYS 67 HA LYS 67 35.078 0.509 4.526 141 1HB LYS 67 1HB LYS 67 34.621 1.936 2.452 142 2HB LYS 67 2HB LYS 67 35.787 2.625 3.582 143 1HG LYS 67 1HG LYS 67 37.643 1.786 2.218 144 2HG LYS 67 2HG LYS 67 36.503 1.026 1.105 145 1HD LYS 67 1HD LYS 67 35.965 3.879 1.580 146 2HD LYS 67 2HD LYS 67 37.524 3.569 0.816 147 1HE LYS 67 1HE LYS 67 36.432 3.320 -1.138 148 2HE LYS 67 2HE LYS 67 35.716 1.849 -0.479 149 1HZ LYS 67 1HZ LYS 67 34.228 3.795 0.650 150 2HZ LYS 67 2HZ LYS 67 34.540 4.445 -0.889 151 3HZ LYS 67 3HZ LYS 67 33.794 2.925 -0.741 152 H SER 68 H SER 68 34.421 -1.461 4.380 153 HA SER 68 HA SER 68 34.653 -3.098 1.991 154 1HB SER 68 1HB SER 68 34.076 -3.291 4.789 155 2HB SER 68 2HB SER 68 32.847 -4.187 3.875 156 HG SER 68 HG SER 68 35.592 -4.420 3.258 157 H LYS 69 H LYS 69 33.224 -3.015 0.333 158 HA LYS 69 HA LYS 69 30.677 -1.569 0.653 159 1HB LYS 69 1HB LYS 69 32.400 -1.708 -1.427 160 2HB LYS 69 2HB LYS 69 31.298 -3.009 -1.876 161 1HG LYS 69 1HG LYS 69 30.469 -0.947 -2.846 162 2HG LYS 69 2HG LYS 69 29.384 -1.418 -1.537 163 1HD LYS 69 1HD LYS 69 31.113 0.083 -0.126 164 2HD LYS 69 2HD LYS 69 31.279 0.872 -1.695 165 1HE LYS 69 1HE LYS 69 28.524 0.259 -0.701 166 2HE LYS 69 2HE LYS 69 29.386 1.626 0.008 167 1HZ LYS 69 1HZ LYS 69 29.756 1.719 -2.754 168 2HZ LYS 69 2HZ LYS 69 28.097 1.474 -2.479 169 3HZ LYS 69 3HZ LYS 69 28.890 2.804 -1.779 170 H THR 70 H THR 70 29.862 -3.240 2.206 171 HA THR 70 HA THR 70 28.705 -5.556 0.714 172 HB THR 70 HB THR 70 29.973 -5.451 3.452 173 HG1 THR 70 HG1 THR 70 30.679 -7.572 2.401 174 1HG2 THR 70 1HG2 THR 70 27.860 -7.337 2.426 175 2HG2 THR 70 2HG2 THR 70 29.051 -7.864 3.611 176 3HG2 THR 70 3HG2 THR 70 27.957 -6.540 3.993 177 H ASP 71 H ASP 71 28.330 -3.316 3.463 178 HA ASP 71 HA ASP 71 25.408 -3.340 2.987 179 1HB ASP 71 1HB ASP 71 26.301 -5.043 4.864 180 2HB ASP 71 2HB ASP 71 26.229 -3.576 5.842 181 H ASN 72 H ASN 72 24.842 -1.918 5.455 182 HA ASN 72 HA ASN 72 26.279 0.640 4.864 183 1HB ASN 72 1HB ASN 72 24.235 1.813 5.518 184 2HB ASN 72 2HB ASN 72 23.863 0.641 4.248 185 1HD2 ASN 72 1HD2 ASN 72 21.754 1.445 5.883 186 2HD2 ASN 72 2HD2 ASN 72 21.323 0.188 6.939 187 H GLN 73 H GLN 73 27.472 -1.045 6.698 188 HA GLN 73 HA GLN 73 26.950 0.395 9.249 189 1HB GLN 73 1HB GLN 73 27.772 -1.922 10.244 190 2HB GLN 73 2HB GLN 73 26.069 -1.659 9.868 191 1HG GLN 73 1HG GLN 73 27.622 -2.601 7.565 192 2HG GLN 73 2HG GLN 73 27.643 -3.734 8.911 193 1HE2 GLN 73 1HE2 GLN 73 24.895 -1.558 8.424 194 2HE2 GLN 73 2HE2 GLN 73 23.797 -2.772 7.946 195 H GLY 74 H GLY 74 29.268 -2.190 8.971 196 1HA GLY 74 1HA GLY 74 31.487 -0.273 8.498 197 2HA GLY 74 2HA GLY 74 31.524 -1.261 9.967 198 H ASN 75 H ASN 75 31.143 -3.686 9.514 199 HA ASN 75 HA ASN 75 32.293 -4.503 6.904 200 1HB ASN 75 1HB ASN 75 33.421 -6.329 8.435 201 2HB ASN 75 2HB ASN 75 34.234 -4.808 8.092 202 1HD2 ASN 75 1HD2 ASN 75 31.475 -5.329 10.314 203 2HD2 ASN 75 2HD2 ASN 75 32.306 -4.838 11.719 204 HA PRO 76 HA PRO 76 28.682 -7.083 7.961 205 1HB PRO 76 1HB PRO 76 27.317 -6.470 5.668 206 2HB PRO 76 2HB PRO 76 27.256 -5.447 7.114 207 1HG PRO 76 1HG PRO 76 28.592 -4.903 4.537 208 2HG PRO 76 2HG PRO 76 28.177 -3.774 5.834 209 1HD PRO 76 1HD PRO 76 30.764 -5.013 5.276 210 2HD PRO 76 2HD PRO 76 30.379 -3.797 6.514 211 H ILE 77 H ILE 77 31.321 -7.408 6.406 212 HA ILE 77 HA ILE 77 31.002 -8.760 4.014 213 HB ILE 77 HB ILE 77 32.982 -9.862 5.989 214 1HG1 ILE 77 1HG1 ILE 77 33.110 -7.505 6.517 215 2HG1 ILE 77 2HG1 ILE 77 34.459 -7.870 5.439 216 1HG2 ILE 77 1HG2 ILE 77 32.613 -9.720 3.122 217 2HG2 ILE 77 2HG2 ILE 77 34.167 -9.020 3.576 218 3HG2 ILE 77 3HG2 ILE 77 33.773 -10.673 4.047 219 1HD1 ILE 77 1HD1 ILE 77 31.810 -6.858 4.395 220 2HD1 ILE 77 2HD1 ILE 77 33.102 -5.764 4.892 221 3HD1 ILE 77 3HD1 ILE 77 33.366 -6.896 3.565 222 HA PRO 78 HA PRO 78 28.577 -12.199 5.430 223 1HB PRO 78 1HB PRO 78 28.460 -13.508 3.005 224 2HB PRO 78 2HB PRO 78 27.422 -12.149 3.478 225 1HG PRO 78 1HG PRO 78 29.741 -12.174 1.606 226 2HG PRO 78 2HG PRO 78 28.346 -11.088 1.650 227 1HD PRO 78 1HD PRO 78 30.930 -10.459 2.596 228 2HD PRO 78 2HD PRO 78 29.444 -9.558 2.959 229 HA PRO 79 HA PRO 79 31.836 -15.568 4.406 230 1HB PRO 79 1HB PRO 79 34.354 -14.684 3.750 231 2HB PRO 79 2HB PRO 79 33.111 -15.081 2.546 232 1HG PRO 79 1HG PRO 79 34.073 -12.402 3.442 233 2HG PRO 79 2HG PRO 79 33.384 -12.884 1.883 234 1HD PRO 79 1HD PRO 79 32.005 -11.518 3.927 235 2HD PRO 79 2HD PRO 79 31.267 -12.341 2.543 236 H HIS 80 H HIS 80 32.810 -12.515 5.863 237 HA HIS 80 HA HIS 80 33.377 -13.816 8.401 238 1HB HIS 80 1HB HIS 80 35.507 -13.793 6.642 239 2HB HIS 80 2HB HIS 80 35.777 -12.329 7.589 240 HD1 HIS 80 HD1 HIS 80 35.309 -16.065 8.014 241 HD2 HIS 80 HD2 HIS 80 36.600 -12.778 10.231 242 HE1 HIS 80 HE1 HIS 80 36.276 -16.987 10.166 Start of MODEL 2 1 H VAL 49 H VAL 49 53.364 -4.887 7.927 2 HA VAL 49 HA VAL 49 52.865 -4.145 5.082 3 HB VAL 49 HB VAL 49 54.305 -6.685 5.852 4 1HG1 VAL 49 1HG1 VAL 49 53.509 -5.277 3.349 5 2HG1 VAL 49 2HG1 VAL 49 55.081 -6.077 3.347 6 3HG1 VAL 49 3HG1 VAL 49 53.619 -7.005 3.679 7 1HG2 VAL 49 1HG2 VAL 49 55.407 -3.945 5.189 8 2HG2 VAL 49 2HG2 VAL 49 55.780 -4.952 6.588 9 3HG2 VAL 49 3HG2 VAL 49 56.356 -5.419 4.987 10 HA PRO 50 HA PRO 50 49.604 -6.930 6.894 11 1HB PRO 50 1HB PRO 50 47.593 -5.025 6.986 12 2HB PRO 50 2HB PRO 50 48.651 -5.438 8.341 13 1HG PRO 50 1HG PRO 50 48.654 -2.976 6.705 14 2HG PRO 50 2HG PRO 50 49.388 -3.275 8.278 15 1HD PRO 50 1HD PRO 50 50.704 -3.210 5.725 16 2HD PRO 50 2HD PRO 50 51.413 -3.554 7.314 17 H GLY 51 H GLY 51 47.647 -7.690 5.673 18 1HA GLY 51 1HA GLY 51 47.628 -6.633 2.873 19 2HA GLY 51 2HA GLY 51 47.617 -8.362 3.207 20 H LEU 52 H LEU 52 45.679 -9.052 2.536 21 HA LEU 52 HA LEU 52 43.347 -8.449 1.851 22 1HB LEU 52 1HB LEU 52 43.558 -10.636 2.860 23 2HB LEU 52 2HB LEU 52 43.498 -9.924 4.480 24 HG LEU 52 HG LEU 52 41.294 -9.246 2.595 25 1HD1 LEU 52 1HD1 LEU 52 41.920 -11.894 2.809 26 2HD1 LEU 52 2HD1 LEU 52 40.842 -11.695 4.191 27 3HD1 LEU 52 3HD1 LEU 52 40.280 -11.291 2.568 28 1HD2 LEU 52 1HD2 LEU 52 41.873 -9.177 5.429 29 2HD2 LEU 52 2HD2 LEU 52 40.639 -8.310 4.514 30 3HD2 LEU 52 3HD2 LEU 52 40.322 -9.943 5.102 31 H CYS 53 H CYS 53 43.557 -8.136 5.291 32 HA CYS 53 HA CYS 53 43.201 -5.735 6.140 33 1HB CYS 53 1HB CYS 53 41.687 -5.142 4.314 34 2HB CYS 53 2HB CYS 53 40.518 -6.335 4.867 35 HA PRO 54 HA PRO 54 41.955 -8.326 9.526 36 1HB PRO 54 1HB PRO 54 42.630 -6.515 11.480 37 2HB PRO 54 2HB PRO 54 43.813 -7.530 10.637 38 1HG PRO 54 1HG PRO 54 43.269 -4.618 10.315 39 2HG PRO 54 2HG PRO 54 44.759 -5.525 9.994 40 1HD PRO 54 1HD PRO 54 42.889 -4.640 8.051 41 2HD PRO 54 2HD PRO 54 44.218 -5.788 7.785 42 H ARG 55 H ARG 55 40.286 -5.893 8.214 43 HA ARG 55 HA ARG 55 38.337 -5.715 10.474 44 1HB ARG 55 1HB ARG 55 39.596 -3.610 9.154 45 2HB ARG 55 2HB ARG 55 38.022 -3.708 8.363 46 1HG ARG 55 1HG ARG 55 37.770 -2.242 10.258 47 2HG ARG 55 2HG ARG 55 36.977 -3.764 10.670 48 1HD ARG 55 1HD ARG 55 39.828 -3.732 11.359 49 2HD ARG 55 2HD ARG 55 38.898 -2.500 12.211 50 HE ARG 55 HE ARG 55 37.470 -4.962 12.358 51 1HH1 ARG 55 1HH1 ARG 55 40.618 -3.874 13.170 52 2HH1 ARG 55 2HH1 ARG 55 40.618 -4.598 14.744 53 1HH2 ARG 55 1HH2 ARG 55 37.345 -5.721 14.519 54 2HH2 ARG 55 2HH2 ARG 55 38.766 -5.643 15.506 55 H CYS 56 H CYS 56 38.529 -5.538 6.891 56 HA CYS 56 HA CYS 56 35.892 -6.921 6.822 57 1HB CYS 56 1HB CYS 56 35.620 -6.091 4.578 58 2HB CYS 56 2HB CYS 56 36.163 -4.727 5.549 59 H LYS 57 H LYS 57 36.650 -7.660 3.972 60 HA LYS 57 HA LYS 57 38.850 -9.433 4.141 61 1HB LYS 57 1HB LYS 57 36.179 -10.431 4.821 62 2HB LYS 57 2HB LYS 57 36.975 -11.350 3.538 63 1HG LYS 57 1HG LYS 57 38.935 -11.698 4.943 64 2HG LYS 57 2HG LYS 57 38.243 -10.686 6.212 65 1HD LYS 57 1HD LYS 57 36.607 -12.269 6.763 66 2HD LYS 57 2HD LYS 57 36.720 -13.075 5.197 67 1HE LYS 57 1HE LYS 57 38.426 -14.403 5.878 68 2HE LYS 57 2HE LYS 57 39.245 -13.075 6.700 69 1HZ LYS 57 1HZ LYS 57 36.929 -13.583 8.128 70 2HZ LYS 57 2HZ LYS 57 37.613 -15.103 7.798 71 3HZ LYS 57 3HZ LYS 57 38.526 -13.921 8.600 72 H ARG 58 H ARG 58 37.591 -7.316 2.461 73 HA ARG 58 HA ARG 58 37.526 -8.866 -0.092 74 1HB ARG 58 1HB ARG 58 35.436 -7.366 1.032 75 2HB ARG 58 2HB ARG 58 36.120 -6.328 -0.223 76 1HG ARG 58 1HG ARG 58 35.300 -9.223 -0.630 77 2HG ARG 58 2HG ARG 58 34.326 -7.829 -1.096 78 1HD ARG 58 1HD ARG 58 36.822 -7.279 -2.195 79 2HD ARG 58 2HD ARG 58 36.628 -9.012 -2.449 80 HE ARG 58 HE ARG 58 35.407 -7.184 -4.088 81 1HH1 ARG 58 1HH1 ARG 58 34.681 -10.087 -2.542 82 2HH1 ARG 58 2HH1 ARG 58 33.001 -10.089 -2.964 83 1HH2 ARG 58 1HH2 ARG 58 33.065 -6.886 -4.296 84 2HH2 ARG 58 2HH2 ARG 58 32.085 -8.274 -3.959 85 H GLY 59 H GLY 59 39.773 -7.401 1.323 86 1HA GLY 59 1HA GLY 59 40.590 -5.880 -1.060 87 2HA GLY 59 2HA GLY 59 40.346 -4.887 0.377 88 H LYS 60 H LYS 60 42.384 -4.353 0.871 89 HA LYS 60 HA LYS 60 44.137 -6.352 2.086 90 1HB LYS 60 1HB LYS 60 44.503 -5.839 -0.653 91 2HB LYS 60 2HB LYS 60 45.701 -4.821 0.154 92 1HG LYS 60 1HG LYS 60 46.461 -6.807 1.452 93 2HG LYS 60 2HG LYS 60 45.327 -7.806 0.547 94 1HD LYS 60 1HD LYS 60 47.440 -6.108 -0.794 95 2HD LYS 60 2HD LYS 60 47.716 -7.790 -0.339 96 1HE LYS 60 1HE LYS 60 46.521 -8.556 -2.094 97 2HE LYS 60 2HE LYS 60 45.191 -7.445 -1.761 98 1HZ LYS 60 1HZ LYS 60 47.295 -5.904 -2.685 99 2HZ LYS 60 2HZ LYS 60 47.216 -7.248 -3.720 100 3HZ LYS 60 3HZ LYS 60 45.849 -6.269 -3.499 101 H HIS 61 H HIS 61 43.441 -4.780 3.812 102 HA HIS 61 HA HIS 61 45.411 -2.659 4.107 103 1HB HIS 61 1HB HIS 61 43.613 -0.866 4.201 104 2HB HIS 61 2HB HIS 61 44.123 -1.397 2.586 105 HD1 HIS 61 HD1 HIS 61 42.342 -2.480 1.103 106 HD2 HIS 61 HD2 HIS 61 41.114 -2.192 5.077 107 HE1 HIS 61 HE1 HIS 61 39.908 -3.221 1.168 108 H TRP 62 H TRP 62 44.385 -0.987 5.830 109 HA TRP 62 HA TRP 62 43.491 -2.744 8.049 110 1HB TRP 62 1HB TRP 62 44.568 -0.261 8.979 111 2HB TRP 62 2HB TRP 62 45.222 -1.882 9.145 112 HD1 TRP 62 HD1 TRP 62 46.290 1.263 7.930 113 HE1 TRP 62 HE1 TRP 62 48.098 1.076 6.102 114 HE3 TRP 62 HE3 TRP 62 45.741 -3.639 6.665 115 HZ2 TRP 62 HZ2 TRP 62 49.145 -0.899 4.312 116 HZ3 TRP 62 HZ3 TRP 62 47.104 -4.633 4.872 117 HH2 TRP 62 HH2 TRP 62 48.830 -3.289 3.712 118 H ALA 63 H ALA 63 42.305 -1.526 9.817 119 HA ALA 63 HA ALA 63 39.809 -0.637 8.976 120 1HB ALA 63 1HB ALA 63 41.376 -0.367 11.491 121 2HB ALA 63 2HB ALA 63 39.954 0.663 11.318 122 3HB ALA 63 3HB ALA 63 39.790 -1.090 11.224 123 H ASN 64 H ASN 64 42.209 1.637 10.383 124 HA ASN 64 HA ASN 64 41.030 4.036 9.772 125 1HB ASN 64 1HB ASN 64 43.223 3.907 10.857 126 2HB ASN 64 2HB ASN 64 43.958 3.364 9.344 127 1HD2 ASN 64 1HD2 ASN 64 44.928 5.032 8.194 128 2HD2 ASN 64 2HD2 ASN 64 44.452 6.660 8.238 129 H GLU 65 H GLU 65 42.764 1.957 7.488 130 HA GLU 65 HA GLU 65 41.703 3.669 5.274 131 1HB GLU 65 1HB GLU 65 44.204 3.575 5.435 132 2HB GLU 65 2HB GLU 65 44.115 1.822 5.220 133 1HG GLU 65 1HG GLU 65 43.931 2.061 2.991 134 2HG GLU 65 2HG GLU 65 42.545 3.134 3.185 135 H CYS 66 H CYS 66 39.834 2.017 6.108 136 HA CYS 66 HA CYS 66 39.991 -0.315 4.250 137 1HB CYS 66 1HB CYS 66 40.226 -1.278 6.419 138 2HB CYS 66 2HB CYS 66 38.992 -0.220 7.102 139 H LYS 67 H LYS 67 37.995 -1.005 3.372 140 HA LYS 67 HA LYS 67 35.577 0.592 3.859 141 1HB LYS 67 1HB LYS 67 37.078 1.660 1.961 142 2HB LYS 67 2HB LYS 67 36.464 0.317 0.996 143 1HG LYS 67 1HG LYS 67 34.161 0.994 1.444 144 2HG LYS 67 2HG LYS 67 34.721 2.282 2.510 145 1HD LYS 67 1HD LYS 67 35.906 3.332 0.606 146 2HD LYS 67 2HD LYS 67 35.305 2.061 -0.457 147 1HE LYS 67 1HE LYS 67 33.133 2.856 -0.412 148 2HE LYS 67 2HE LYS 67 33.320 3.580 1.184 149 1HZ LYS 67 1HZ LYS 67 35.112 4.946 -0.288 150 2HZ LYS 67 2HZ LYS 67 33.866 4.696 -1.414 151 3HZ LYS 67 3HZ LYS 67 33.535 5.478 0.054 152 H SER 68 H SER 68 33.692 -0.501 3.113 153 HA SER 68 HA SER 68 33.834 -2.982 1.647 154 1HB SER 68 1HB SER 68 34.601 -3.000 4.375 155 2HB SER 68 2HB SER 68 33.016 -3.792 4.281 156 HG SER 68 HG SER 68 35.477 -4.500 3.136 157 H LYS 69 H LYS 69 32.119 -1.159 1.022 158 HA LYS 69 HA LYS 69 29.750 -0.919 2.606 159 1HB LYS 69 1HB LYS 69 30.455 -0.373 -0.257 160 2HB LYS 69 2HB LYS 69 28.764 -0.312 0.246 161 1HG LYS 69 1HG LYS 69 29.248 1.356 1.921 162 2HG LYS 69 2HG LYS 69 30.985 1.192 1.653 163 1HD LYS 69 1HD LYS 69 30.945 2.467 -0.240 164 2HD LYS 69 2HD LYS 69 29.384 1.827 -0.757 165 1HE LYS 69 1HE LYS 69 28.344 3.183 1.135 166 2HE LYS 69 2HE LYS 69 29.909 3.978 1.304 167 1HZ LYS 69 1HZ LYS 69 28.390 3.843 -1.241 168 2HZ LYS 69 2HZ LYS 69 28.315 5.155 -0.166 169 3HZ LYS 69 3HZ LYS 69 29.781 4.764 -0.921 170 H THR 70 H THR 70 28.865 -2.882 3.228 171 HA THR 70 HA THR 70 27.920 -4.628 0.995 172 HB THR 70 HB THR 70 29.290 -5.331 3.541 173 HG1 THR 70 HG1 THR 70 28.710 -6.601 1.074 174 1HG2 THR 70 1HG2 THR 70 26.588 -6.455 2.877 175 2HG2 THR 70 2HG2 THR 70 27.826 -7.574 3.423 176 3HG2 THR 70 3HG2 THR 70 27.352 -6.218 4.441 177 H ASP 71 H ASP 71 27.190 -3.764 4.398 178 HA ASP 71 HA ASP 71 24.303 -3.731 3.598 179 1HB ASP 71 1HB ASP 71 25.667 -5.069 5.791 180 2HB ASP 71 2HB ASP 71 24.387 -4.006 6.379 181 H ASN 72 H ASN 72 25.598 -2.645 6.694 182 HA ASN 72 HA ASN 72 25.012 0.167 5.870 183 1HB ASN 72 1HB ASN 72 23.175 -0.077 7.210 184 2HB ASN 72 2HB ASN 72 23.859 -1.452 8.070 185 1HD2 ASN 72 1HD2 ASN 72 24.269 2.108 7.804 186 2HD2 ASN 72 2HD2 ASN 72 24.688 2.337 9.435 187 H GLN 73 H GLN 73 27.267 -1.991 7.145 188 HA GLN 73 HA GLN 73 28.770 0.240 8.425 189 1HB GLN 73 1HB GLN 73 28.947 -2.741 8.952 190 2HB GLN 73 2HB GLN 73 29.830 -1.478 9.799 191 1HG GLN 73 1HG GLN 73 26.817 -1.535 9.695 192 2HG GLN 73 2HG GLN 73 27.730 -2.337 10.972 193 1HE2 GLN 73 1HE2 GLN 73 27.907 -1.041 12.793 194 2HE2 GLN 73 2HE2 GLN 73 28.038 0.659 12.779 195 H GLY 74 H GLY 74 31.198 -1.351 8.542 196 1HA GLY 74 1HA GLY 74 31.849 -1.489 5.624 197 2HA GLY 74 2HA GLY 74 32.978 -0.850 6.825 198 H ASN 75 H ASN 75 31.441 -3.321 8.354 199 HA ASN 75 HA ASN 75 33.495 -5.289 7.435 200 1HB ASN 75 1HB ASN 75 32.362 -4.797 10.167 201 2HB ASN 75 2HB ASN 75 33.528 -6.070 9.781 202 1HD2 ASN 75 1HD2 ASN 75 33.428 -3.074 11.147 203 2HD2 ASN 75 2HD2 ASN 75 34.962 -2.485 10.690 204 HA PRO 76 HA PRO 76 29.373 -7.574 7.884 205 1HB PRO 76 1HB PRO 76 27.603 -6.643 6.070 206 2HB PRO 76 2HB PRO 76 27.714 -5.920 7.682 207 1HG PRO 76 1HG PRO 76 28.544 -4.765 5.097 208 2HG PRO 76 2HG PRO 76 28.268 -3.952 6.643 209 1HD PRO 76 1HD PRO 76 30.811 -4.787 5.468 210 2HD PRO 76 2HD PRO 76 30.515 -3.859 6.943 211 H ILE 77 H ILE 77 31.523 -8.428 6.642 212 HA ILE 77 HA ILE 77 30.791 -8.619 3.783 213 HB ILE 77 HB ILE 77 33.483 -9.535 4.605 214 1HG1 ILE 77 1HG1 ILE 77 33.034 -7.569 6.123 215 2HG1 ILE 77 2HG1 ILE 77 34.355 -7.309 4.985 216 1HG2 ILE 77 1HG2 ILE 77 32.556 -9.231 2.245 217 2HG2 ILE 77 2HG2 ILE 77 32.638 -7.494 2.540 218 3HG2 ILE 77 3HG2 ILE 77 34.111 -8.464 2.568 219 1HD1 ILE 77 1HD1 ILE 77 31.503 -6.420 4.465 220 2HD1 ILE 77 2HD1 ILE 77 32.723 -5.377 5.196 221 3HD1 ILE 77 3HD1 ILE 77 32.944 -5.975 3.551 222 HA PRO 78 HA PRO 78 30.226 -12.935 5.413 223 1HB PRO 78 1HB PRO 78 27.792 -13.351 4.214 224 2HB PRO 78 2HB PRO 78 27.977 -12.634 5.827 225 1HG PRO 78 1HG PRO 78 27.306 -11.297 3.238 226 2HG PRO 78 2HG PRO 78 26.858 -10.836 4.890 227 1HD PRO 78 1HD PRO 78 28.908 -9.644 3.368 228 2HD PRO 78 2HD PRO 78 28.698 -9.506 5.126 229 HA PRO 79 HA PRO 79 31.570 -14.577 1.501 230 1HB PRO 79 1HB PRO 79 31.649 -17.219 2.271 231 2HB PRO 79 2HB PRO 79 32.889 -16.030 2.717 232 1HG PRO 79 1HG PRO 79 30.729 -17.212 4.403 233 2HG PRO 79 2HG PRO 79 32.304 -16.563 4.888 234 1HD PRO 79 1HD PRO 79 29.818 -15.232 5.135 235 2HD PRO 79 2HD PRO 79 31.423 -14.485 5.292 236 H HIS 80 H HIS 80 28.639 -15.516 3.132 237 HA HIS 80 HA HIS 80 26.624 -16.414 2.336 238 1HB HIS 80 1HB HIS 80 27.524 -14.539 0.463 239 2HB HIS 80 2HB HIS 80 27.103 -15.956 -0.499 240 HD1 HIS 80 HD1 HIS 80 25.289 -13.549 -0.785 241 HD2 HIS 80 HD2 HIS 80 24.665 -16.487 2.107 242 HE1 HIS 80 HE1 HIS 80 22.841 -13.413 -0.140 Start of MODEL 3 1 H VAL 49 H VAL 49 53.854 -5.610 4.837 2 HA VAL 49 HA VAL 49 52.560 -4.347 7.148 3 HB VAL 49 HB VAL 49 50.901 -3.550 5.060 4 1HG1 VAL 49 1HG1 VAL 49 51.591 -2.417 7.259 5 2HG1 VAL 49 2HG1 VAL 49 52.962 -1.770 6.359 6 3HG1 VAL 49 3HG1 VAL 49 51.317 -1.358 5.875 7 1HG2 VAL 49 1HG2 VAL 49 53.058 -3.991 3.649 8 2HG2 VAL 49 2HG2 VAL 49 52.172 -2.487 3.403 9 3HG2 VAL 49 3HG2 VAL 49 53.637 -2.497 4.385 10 HA PRO 50 HA PRO 50 49.647 -7.564 6.615 11 1HB PRO 50 1HB PRO 50 47.272 -6.262 7.190 12 2HB PRO 50 2HB PRO 50 48.462 -6.787 8.381 13 1HG PRO 50 1HG PRO 50 47.869 -4.033 7.481 14 2HG PRO 50 2HG PRO 50 48.663 -4.584 8.954 15 1HD PRO 50 1HD PRO 50 49.924 -3.509 6.636 16 2HD PRO 50 2HD PRO 50 50.717 -4.226 8.056 17 H GLY 51 H GLY 51 47.439 -8.143 5.465 18 1HA GLY 51 1HA GLY 51 47.422 -6.742 2.817 19 2HA GLY 51 2HA GLY 51 47.352 -8.498 2.943 20 H LEU 52 H LEU 52 45.376 -9.198 2.455 21 HA LEU 52 HA LEU 52 43.048 -8.471 1.810 22 1HB LEU 52 1HB LEU 52 43.187 -10.680 2.783 23 2HB LEU 52 2HB LEU 52 43.236 -9.990 4.413 24 HG LEU 52 HG LEU 52 40.975 -9.198 2.637 25 1HD1 LEU 52 1HD1 LEU 52 41.513 -11.956 3.560 26 2HD1 LEU 52 2HD1 LEU 52 39.899 -11.346 3.928 27 3HD1 LEU 52 3HD1 LEU 52 40.465 -11.389 2.260 28 1HD2 LEU 52 1HD2 LEU 52 41.688 -9.194 5.455 29 2HD2 LEU 52 2HD2 LEU 52 40.495 -8.222 4.595 30 3HD2 LEU 52 3HD2 LEU 52 40.073 -9.832 5.176 31 H CYS 53 H CYS 53 43.381 -8.227 5.246 32 HA CYS 53 HA CYS 53 43.160 -5.812 6.121 33 1HB CYS 53 1HB CYS 53 41.578 -5.156 4.371 34 2HB CYS 53 2HB CYS 53 40.406 -6.329 4.957 35 HA PRO 54 HA PRO 54 41.960 -8.430 9.513 36 1HB PRO 54 1HB PRO 54 42.833 -6.715 11.473 37 2HB PRO 54 2HB PRO 54 43.913 -7.777 10.553 38 1HG PRO 54 1HG PRO 54 43.534 -4.831 10.321 39 2HG PRO 54 2HG PRO 54 44.948 -5.818 9.909 40 1HD PRO 54 1HD PRO 54 43.049 -4.773 8.077 41 2HD PRO 54 2HD PRO 54 44.290 -5.995 7.721 42 H ARG 55 H ARG 55 40.346 -5.931 8.316 43 HA ARG 55 HA ARG 55 38.547 -5.640 10.682 44 1HB ARG 55 1HB ARG 55 39.804 -3.564 9.627 45 2HB ARG 55 2HB ARG 55 38.543 -3.688 8.398 46 1HG ARG 55 1HG ARG 55 37.456 -2.313 9.897 47 2HG ARG 55 2HG ARG 55 36.984 -3.877 10.562 48 1HD ARG 55 1HD ARG 55 39.034 -3.749 12.047 49 2HD ARG 55 2HD ARG 55 39.234 -2.084 11.504 50 HE ARG 55 HE ARG 55 36.556 -2.516 12.480 51 1HH1 ARG 55 1HH1 ARG 55 38.757 -3.618 14.449 52 2HH1 ARG 55 2HH1 ARG 55 38.856 -2.274 15.538 53 1HH2 ARG 55 1HH2 ARG 55 37.148 -0.108 13.436 54 2HH2 ARG 55 2HH2 ARG 55 37.941 -0.286 14.965 55 H CYS 56 H CYS 56 38.564 -5.541 7.098 56 HA CYS 56 HA CYS 56 35.881 -6.828 7.181 57 1HB CYS 56 1HB CYS 56 35.486 -5.960 4.962 58 2HB CYS 56 2HB CYS 56 36.071 -4.621 5.941 59 H LYS 57 H LYS 57 36.454 -7.495 4.253 60 HA LYS 57 HA LYS 57 38.603 -9.331 4.247 61 1HB LYS 57 1HB LYS 57 36.954 -11.325 3.798 62 2HB LYS 57 2HB LYS 57 37.341 -10.884 5.464 63 1HG LYS 57 1HG LYS 57 35.261 -9.263 5.176 64 2HG LYS 57 2HG LYS 57 34.820 -10.410 3.911 65 1HD LYS 57 1HD LYS 57 33.795 -11.180 5.950 66 2HD LYS 57 2HD LYS 57 35.149 -12.259 5.614 67 1HE LYS 57 1HE LYS 57 36.159 -10.062 7.124 68 2HE LYS 57 2HE LYS 57 34.707 -10.643 7.938 69 1HZ LYS 57 1HZ LYS 57 35.710 -12.944 7.582 70 2HZ LYS 57 2HZ LYS 57 37.168 -12.133 7.276 71 3HZ LYS 57 3HZ LYS 57 36.403 -11.961 8.783 72 H ARG 58 H ARG 58 37.388 -7.126 2.715 73 HA ARG 58 HA ARG 58 37.085 -8.576 0.121 74 1HB ARG 58 1HB ARG 58 34.988 -7.412 1.191 75 2HB ARG 58 2HB ARG 58 35.768 -5.926 0.638 76 1HG ARG 58 1HG ARG 58 35.606 -6.525 -1.617 77 2HG ARG 58 2HG ARG 58 35.456 -8.244 -1.252 78 1HD ARG 58 1HD ARG 58 33.243 -7.497 -0.039 79 2HD ARG 58 2HD ARG 58 33.374 -6.087 -1.090 80 HE ARG 58 HE ARG 58 33.272 -8.885 -2.151 81 1HH1 ARG 58 1HH1 ARG 58 33.999 -6.649 -4.023 82 2HH1 ARG 58 2HH1 ARG 58 32.461 -6.244 -4.710 83 1HH2 ARG 58 1HH2 ARG 58 30.637 -7.878 -2.256 84 2HH2 ARG 58 2HH2 ARG 58 30.558 -6.936 -3.707 85 H GLY 59 H GLY 59 39.441 -7.172 1.541 86 1HA GLY 59 1HA GLY 59 40.226 -5.659 -0.875 87 2HA GLY 59 2HA GLY 59 40.121 -4.708 0.606 88 H LYS 60 H LYS 60 42.188 -4.298 1.024 89 HA LYS 60 HA LYS 60 43.942 -6.420 2.020 90 1HB LYS 60 1HB LYS 60 44.198 -5.377 -0.698 91 2HB LYS 60 2HB LYS 60 45.617 -4.969 0.266 92 1HG LYS 60 1HG LYS 60 45.033 -7.642 0.911 93 2HG LYS 60 2HG LYS 60 44.832 -7.534 -0.836 94 1HD LYS 60 1HD LYS 60 47.147 -6.039 -0.249 95 2HD LYS 60 2HD LYS 60 47.277 -7.512 0.712 96 1HE LYS 60 1HE LYS 60 46.389 -7.771 -2.131 97 2HE LYS 60 2HE LYS 60 48.095 -7.448 -1.824 98 1HZ LYS 60 1HZ LYS 60 47.552 -9.362 -0.022 99 2HZ LYS 60 2HZ LYS 60 46.550 -9.829 -1.312 100 3HZ LYS 60 3HZ LYS 60 48.218 -9.650 -1.558 101 H HIS 61 H HIS 61 43.326 -4.882 3.861 102 HA HIS 61 HA HIS 61 45.381 -2.890 4.281 103 1HB HIS 61 1HB HIS 61 43.790 -0.948 4.246 104 2HB HIS 61 2HB HIS 61 44.214 -1.585 2.642 105 HD1 HIS 61 HD1 HIS 61 42.242 -2.278 1.197 106 HD2 HIS 61 HD2 HIS 61 41.272 -2.271 5.250 107 HE1 HIS 61 HE1 HIS 61 39.786 -2.928 1.357 108 H TRP 62 H TRP 62 44.301 -1.125 5.960 109 HA TRP 62 HA TRP 62 42.994 -2.818 8.035 110 1HB TRP 62 1HB TRP 62 44.463 -0.781 9.291 111 2HB TRP 62 2HB TRP 62 44.863 -2.486 9.185 112 HD1 TRP 62 HD1 TRP 62 46.234 0.732 8.338 113 HE1 TRP 62 HE1 TRP 62 48.182 0.529 6.663 114 HE3 TRP 62 HE3 TRP 62 45.467 -4.022 6.736 115 HZ2 TRP 62 HZ2 TRP 62 49.255 -1.422 4.854 116 HZ3 TRP 62 HZ3 TRP 62 46.919 -5.016 5.020 117 HH2 TRP 62 HH2 TRP 62 48.838 -3.753 4.099 118 H ALA 63 H ALA 63 42.199 -1.328 9.909 119 HA ALA 63 HA ALA 63 39.904 0.020 9.308 120 1HB ALA 63 1HB ALA 63 41.941 0.498 11.468 121 2HB ALA 63 2HB ALA 63 40.532 1.553 11.346 122 3HB ALA 63 3HB ALA 63 40.318 -0.178 11.603 123 H ASN 64 H ASN 64 42.449 2.246 10.337 124 HA ASN 64 HA ASN 64 41.547 4.378 8.697 125 1HB ASN 64 1HB ASN 64 44.320 3.802 9.795 126 2HB ASN 64 2HB ASN 64 43.853 5.332 9.046 127 1HD2 ASN 64 1HD2 ASN 64 44.368 6.250 11.280 128 2HD2 ASN 64 2HD2 ASN 64 43.161 6.180 12.471 129 H GLU 65 H GLU 65 41.157 3.550 6.632 130 HA GLU 65 HA GLU 65 42.168 3.790 4.364 131 1HB GLU 65 1HB GLU 65 44.483 3.601 5.178 132 2HB GLU 65 2HB GLU 65 44.208 1.903 5.582 133 1HG GLU 65 1HG GLU 65 44.624 1.287 3.451 134 2HG GLU 65 2HG GLU 65 43.393 2.401 2.854 135 H CYS 66 H CYS 66 40.141 2.220 5.831 136 HA CYS 66 HA CYS 66 40.180 -0.238 4.129 137 1HB CYS 66 1HB CYS 66 40.474 -1.058 6.341 138 2HB CYS 66 2HB CYS 66 39.346 0.114 7.014 139 H LYS 67 H LYS 67 38.280 -0.749 3.106 140 HA LYS 67 HA LYS 67 35.864 0.877 3.681 141 1HB LYS 67 1HB LYS 67 37.339 1.699 1.624 142 2HB LYS 67 2HB LYS 67 36.582 0.325 0.815 143 1HG LYS 67 1HG LYS 67 35.071 2.060 0.368 144 2HG LYS 67 2HG LYS 67 34.360 1.298 1.791 145 1HD LYS 67 1HD LYS 67 36.071 3.081 2.956 146 2HD LYS 67 2HD LYS 67 35.598 3.965 1.505 147 1HE LYS 67 1HE LYS 67 33.466 2.598 3.104 148 2HE LYS 67 2HE LYS 67 34.131 4.114 3.709 149 1HZ LYS 67 1HZ LYS 67 33.424 4.032 0.887 150 2HZ LYS 67 2HZ LYS 67 32.131 4.011 1.989 151 3HZ LYS 67 3HZ LYS 67 33.252 5.288 2.014 152 H SER 68 H SER 68 33.919 -0.245 3.146 153 HA SER 68 HA SER 68 34.081 -2.886 1.938 154 1HB SER 68 1HB SER 68 34.641 -2.531 4.712 155 2HB SER 68 2HB SER 68 33.108 -3.412 4.559 156 HG SER 68 HG SER 68 34.520 -4.562 2.813 157 H LYS 69 H LYS 69 32.399 -0.330 1.906 158 HA LYS 69 HA LYS 69 29.869 -0.639 3.042 159 1HB LYS 69 1HB LYS 69 30.960 0.868 0.897 160 2HB LYS 69 2HB LYS 69 29.524 0.063 0.264 161 1HG LYS 69 1HG LYS 69 28.320 0.870 2.375 162 2HG LYS 69 2HG LYS 69 29.719 1.909 2.650 163 1HD LYS 69 1HD LYS 69 29.380 3.049 0.554 164 2HD LYS 69 2HD LYS 69 28.139 1.894 0.066 165 1HE LYS 69 1HE LYS 69 27.985 3.981 2.244 166 2HE LYS 69 2HE LYS 69 26.939 3.797 0.837 167 1HZ LYS 69 1HZ LYS 69 26.364 1.546 1.822 168 2HZ LYS 69 2HZ LYS 69 27.071 2.110 3.259 169 3HZ LYS 69 3HZ LYS 69 25.728 2.913 2.604 170 H THR 70 H THR 70 29.248 -2.785 3.245 171 HA THR 70 HA THR 70 28.752 -4.258 0.696 172 HB THR 70 HB THR 70 30.032 -5.002 3.246 173 HG1 THR 70 HG1 THR 70 29.930 -6.349 0.762 174 1HG2 THR 70 1HG2 THR 70 27.801 -6.683 2.120 175 2HG2 THR 70 2HG2 THR 70 29.187 -7.439 2.902 176 3HG2 THR 70 3HG2 THR 70 28.176 -6.315 3.799 177 H ASP 71 H ASP 71 27.514 -3.526 3.949 178 HA ASP 71 HA ASP 71 24.787 -3.636 2.940 179 1HB ASP 71 1HB ASP 71 25.866 -6.082 3.749 180 2HB ASP 71 2HB ASP 71 24.900 -5.553 5.126 181 H ASN 72 H ASN 72 26.454 -4.130 6.095 182 HA ASN 72 HA ASN 72 24.561 -2.189 7.270 183 1HB ASN 72 1HB ASN 72 24.988 -4.311 8.469 184 2HB ASN 72 2HB ASN 72 26.692 -3.872 8.614 185 1HD2 ASN 72 1HD2 ASN 72 24.037 -1.526 8.901 186 2HD2 ASN 72 2HD2 ASN 72 24.282 -1.189 10.543 187 H GLN 73 H GLN 73 27.984 -2.596 8.191 188 HA GLN 73 HA GLN 73 28.282 0.342 7.723 189 1HB GLN 73 1HB GLN 73 28.895 -1.365 10.051 190 2HB GLN 73 2HB GLN 73 30.164 -0.214 9.617 191 1HG GLN 73 1HG GLN 73 28.749 1.645 9.898 192 2HG GLN 73 2HG GLN 73 27.286 0.664 9.792 193 1HE2 GLN 73 1HE2 GLN 73 26.388 1.088 11.865 194 2HE2 GLN 73 2HE2 GLN 73 27.183 0.705 13.325 195 H GLY 74 H GLY 74 30.961 -1.653 8.775 196 1HA GLY 74 1HA GLY 74 32.105 -1.419 6.019 197 2HA GLY 74 2HA GLY 74 33.059 -1.054 7.457 198 H ASN 75 H ASN 75 31.209 -3.573 8.432 199 HA ASN 75 HA ASN 75 33.159 -5.574 7.366 200 1HB ASN 75 1HB ASN 75 32.036 -5.322 10.137 201 2HB ASN 75 2HB ASN 75 33.131 -6.605 9.607 202 1HD2 ASN 75 1HD2 ASN 75 33.043 -3.506 11.020 203 2HD2 ASN 75 2HD2 ASN 75 34.672 -3.074 10.765 204 HA PRO 76 HA PRO 76 28.762 -7.408 7.504 205 1HB PRO 76 1HB PRO 76 27.400 -6.311 5.418 206 2HB PRO 76 2HB PRO 76 27.378 -5.579 7.034 207 1HG PRO 76 1HG PRO 76 28.786 -4.643 4.587 208 2HG PRO 76 2HG PRO 76 28.273 -3.717 6.006 209 1HD PRO 76 1HD PRO 76 30.918 -4.700 5.431 210 2HD PRO 76 2HD PRO 76 30.353 -3.873 6.892 211 H ILE 77 H ILE 77 31.396 -7.363 5.857 212 HA ILE 77 HA ILE 77 30.975 -8.070 3.222 213 HB ILE 77 HB ILE 77 33.071 -9.554 4.767 214 1HG1 ILE 77 1HG1 ILE 77 33.214 -7.415 5.848 215 2HG1 ILE 77 2HG1 ILE 77 34.466 -7.425 4.607 216 1HG2 ILE 77 1HG2 ILE 77 32.811 -8.221 2.075 217 2HG2 ILE 77 2HG2 ILE 77 34.390 -8.649 2.734 218 3HG2 ILE 77 3HG2 ILE 77 33.189 -9.906 2.437 219 1HD1 ILE 77 1HD1 ILE 77 31.730 -6.326 3.981 220 2HD1 ILE 77 2HD1 ILE 77 32.915 -5.330 4.821 221 3HD1 ILE 77 3HD1 ILE 77 33.274 -5.957 3.215 222 HA PRO 78 HA PRO 78 28.930 -11.983 3.597 223 1HB PRO 78 1HB PRO 78 28.992 -12.625 0.928 224 2HB PRO 78 2HB PRO 78 27.870 -11.439 1.624 225 1HG PRO 78 1HG PRO 78 30.293 -10.973 -0.044 226 2HG PRO 78 2HG PRO 78 28.868 -9.943 0.176 227 1HD PRO 78 1HD PRO 78 31.409 -9.605 1.418 228 2HD PRO 78 2HD PRO 78 29.913 -8.732 1.811 229 HA PRO 79 HA PRO 79 32.576 -14.611 3.619 230 1HB PRO 79 1HB PRO 79 31.375 -16.687 4.961 231 2HB PRO 79 2HB PRO 79 31.991 -15.227 5.762 232 1HG PRO 79 1HG PRO 79 29.169 -16.009 5.195 233 2HG PRO 79 2HG PRO 79 29.809 -14.964 6.474 234 1HD PRO 79 1HD PRO 79 28.554 -14.088 4.091 235 2HD PRO 79 2HD PRO 79 29.489 -13.076 5.214 236 H HIS 80 H HIS 80 32.858 -15.336 1.494 237 HA HIS 80 HA HIS 80 31.185 -17.671 0.678 238 1HB HIS 80 1HB HIS 80 31.841 -15.183 -0.881 239 2HB HIS 80 2HB HIS 80 31.593 -16.710 -1.728 240 HD1 HIS 80 HD1 HIS 80 29.766 -13.882 -0.455 241 HD2 HIS 80 HD2 HIS 80 28.951 -17.949 -0.869 242 HE1 HIS 80 HE1 HIS 80 27.249 -14.125 -0.321 Start of MODEL 4 1 H VAL 49 H VAL 49 51.003 -2.985 3.637 2 HA VAL 49 HA VAL 49 53.348 -4.619 3.299 3 HB VAL 49 HB VAL 49 53.083 -4.547 6.116 4 1HG1 VAL 49 1HG1 VAL 49 55.041 -5.098 4.480 5 2HG1 VAL 49 2HG1 VAL 49 55.372 -3.369 4.576 6 3HG1 VAL 49 3HG1 VAL 49 55.408 -4.355 6.036 7 1HG2 VAL 49 1HG2 VAL 49 53.589 -1.845 4.821 8 2HG2 VAL 49 2HG2 VAL 49 52.209 -2.246 5.840 9 3HG2 VAL 49 3HG2 VAL 49 53.832 -2.212 6.526 10 HA PRO 50 HA PRO 50 50.111 -7.136 5.726 11 1HB PRO 50 1HB PRO 50 47.933 -5.689 6.655 12 2HB PRO 50 2HB PRO 50 49.371 -6.081 7.615 13 1HG PRO 50 1HG PRO 50 48.619 -3.472 6.373 14 2HG PRO 50 2HG PRO 50 49.620 -3.793 7.788 15 1HD PRO 50 1HD PRO 50 50.584 -3.109 5.248 16 2HD PRO 50 2HD PRO 50 51.531 -3.843 6.542 17 H GLY 51 H GLY 51 47.626 -7.729 5.165 18 1HA GLY 51 1HA GLY 51 47.097 -6.612 2.439 19 2HA GLY 51 2HA GLY 51 47.145 -8.351 2.698 20 H LEU 52 H LEU 52 45.135 -8.934 2.261 21 HA LEU 52 HA LEU 52 42.750 -8.446 2.015 22 1HB LEU 52 1HB LEU 52 43.209 -10.599 3.068 23 2HB LEU 52 2HB LEU 52 43.260 -9.816 4.655 24 HG LEU 52 HG LEU 52 40.874 -9.369 2.913 25 1HD1 LEU 52 1HD1 LEU 52 41.730 -11.962 3.926 26 2HD1 LEU 52 2HD1 LEU 52 40.175 -11.482 4.602 27 3HD1 LEU 52 3HD1 LEU 52 40.386 -11.575 2.854 28 1HD2 LEU 52 1HD2 LEU 52 41.660 -9.080 5.716 29 2HD2 LEU 52 2HD2 LEU 52 40.468 -8.178 4.777 30 3HD2 LEU 52 3HD2 LEU 52 40.046 -9.738 5.485 31 H CYS 53 H CYS 53 43.372 -8.114 5.386 32 HA CYS 53 HA CYS 53 43.135 -5.707 6.284 33 1HB CYS 53 1HB CYS 53 41.452 -5.089 4.630 34 2HB CYS 53 2HB CYS 53 40.337 -6.289 5.273 35 HA PRO 54 HA PRO 54 42.239 -8.289 9.784 36 1HB PRO 54 1HB PRO 54 43.038 -6.452 11.666 37 2HB PRO 54 2HB PRO 54 44.166 -7.454 10.736 38 1HG PRO 54 1HG PRO 54 43.537 -4.554 10.431 39 2HG PRO 54 2HG PRO 54 45.019 -5.433 10.008 40 1HD PRO 54 1HD PRO 54 43.005 -4.606 8.199 41 2HD PRO 54 2HD PRO 54 44.313 -5.757 7.852 42 H ARG 55 H ARG 55 40.424 -5.865 8.632 43 HA ARG 55 HA ARG 55 38.666 -5.756 11.043 44 1HB ARG 55 1HB ARG 55 39.687 -3.647 9.353 45 2HB ARG 55 2HB ARG 55 37.928 -3.700 9.240 46 1HG ARG 55 1HG ARG 55 38.010 -3.904 11.842 47 2HG ARG 55 2HG ARG 55 39.647 -3.271 11.672 48 1HD ARG 55 1HD ARG 55 38.842 -1.189 11.410 49 2HD ARG 55 2HD ARG 55 37.885 -1.715 10.026 50 HE ARG 55 HE ARG 55 36.010 -2.079 11.510 51 1HH1 ARG 55 1HH1 ARG 55 38.138 -2.652 13.805 52 2HH1 ARG 55 2HH1 ARG 55 37.669 -1.410 14.918 53 1HH2 ARG 55 1HH2 ARG 55 35.713 0.287 12.613 54 2HH2 ARG 55 2HH2 ARG 55 36.298 0.253 14.243 55 H CYS 56 H CYS 56 38.588 -5.603 7.450 56 HA CYS 56 HA CYS 56 35.954 -6.987 7.607 57 1HB CYS 56 1HB CYS 56 35.430 -6.093 5.429 58 2HB CYS 56 2HB CYS 56 36.036 -4.752 6.393 59 H LYS 57 H LYS 57 36.392 -7.597 4.670 60 HA LYS 57 HA LYS 57 38.580 -9.389 4.499 61 1HB LYS 57 1HB LYS 57 35.884 -10.396 5.256 62 2HB LYS 57 2HB LYS 57 36.784 -11.334 4.060 63 1HG LYS 57 1HG LYS 57 38.767 -11.060 5.774 64 2HG LYS 57 2HG LYS 57 37.465 -10.772 6.929 65 1HD LYS 57 1HD LYS 57 37.163 -13.104 5.096 66 2HD LYS 57 2HD LYS 57 38.357 -13.244 6.386 67 1HE LYS 57 1HE LYS 57 35.669 -12.160 7.102 68 2HE LYS 57 2HE LYS 57 35.794 -13.889 6.783 69 1HZ LYS 57 1HZ LYS 57 37.549 -12.409 8.664 70 2HZ LYS 57 2HZ LYS 57 36.167 -13.283 9.132 71 3HZ LYS 57 3HZ LYS 57 37.490 -14.088 8.431 72 H ARG 58 H ARG 58 37.118 -7.172 3.081 73 HA ARG 58 HA ARG 58 36.707 -8.606 0.489 74 1HB ARG 58 1HB ARG 58 34.820 -7.137 1.896 75 2HB ARG 58 2HB ARG 58 35.439 -5.975 0.718 76 1HG ARG 58 1HG ARG 58 34.530 -8.774 -0.008 77 2HG ARG 58 2HG ARG 58 33.488 -7.354 -0.109 78 1HD ARG 58 1HD ARG 58 34.885 -6.330 -1.759 79 2HD ARG 58 2HD ARG 58 36.173 -7.505 -1.493 80 HE ARG 58 HE ARG 58 34.011 -9.051 -2.288 81 1HH1 ARG 58 1HH1 ARG 58 36.222 -6.762 -3.529 82 2HH1 ARG 58 2HH1 ARG 58 35.707 -6.937 -5.174 83 1HH2 ARG 58 1HH2 ARG 58 33.106 -9.098 -4.408 84 2HH2 ARG 58 2HH2 ARG 58 33.943 -8.261 -5.672 85 H GLY 59 H GLY 59 39.053 -7.054 1.890 86 1HA GLY 59 1HA GLY 59 39.819 -5.656 -0.607 87 2HA GLY 59 2HA GLY 59 39.691 -4.638 0.830 88 H LYS 60 H LYS 60 41.962 -4.247 0.768 89 HA LYS 60 HA LYS 60 43.567 -6.337 2.087 90 1HB LYS 60 1HB LYS 60 44.757 -4.765 -0.183 91 2HB LYS 60 2HB LYS 60 45.241 -6.313 0.483 92 1HG LYS 60 1HG LYS 60 43.303 -7.414 -0.501 93 2HG LYS 60 2HG LYS 60 42.702 -5.864 -1.090 94 1HD LYS 60 1HD LYS 60 45.068 -5.725 -2.246 95 2HD LYS 60 2HD LYS 60 45.039 -7.479 -2.057 96 1HE LYS 60 1HE LYS 60 42.898 -5.821 -3.427 97 2HE LYS 60 2HE LYS 60 44.109 -6.808 -4.245 98 1HZ LYS 60 1HZ LYS 60 42.440 -8.069 -2.194 99 2HZ LYS 60 2HZ LYS 60 41.741 -7.743 -3.707 100 3HZ LYS 60 3HZ LYS 60 43.113 -8.735 -3.604 101 H HIS 61 H HIS 61 43.185 -4.769 3.900 102 HA HIS 61 HA HIS 61 45.267 -2.735 3.985 103 1HB HIS 61 1HB HIS 61 43.584 -0.867 4.322 104 2HB HIS 61 2HB HIS 61 43.858 -1.392 2.645 105 HD1 HIS 61 HD1 HIS 61 41.837 -2.279 1.377 106 HD2 HIS 61 HD2 HIS 61 41.177 -2.203 5.498 107 HE1 HIS 61 HE1 HIS 61 39.425 -3.005 1.738 108 H TRP 62 H TRP 62 44.620 -1.074 5.813 109 HA TRP 62 HA TRP 62 43.988 -2.794 8.133 110 1HB TRP 62 1HB TRP 62 45.130 -0.215 8.783 111 2HB TRP 62 2HB TRP 62 45.759 -1.831 9.065 112 HD1 TRP 62 HD1 TRP 62 46.961 1.079 7.607 113 HE1 TRP 62 HE1 TRP 62 48.562 0.689 5.625 114 HE3 TRP 62 HE3 TRP 62 45.789 -3.752 6.487 115 HZ2 TRP 62 HZ2 TRP 62 49.236 -1.416 3.773 116 HZ3 TRP 62 HZ3 TRP 62 46.854 -4.890 4.580 117 HH2 TRP 62 HH2 TRP 62 48.581 -3.733 3.230 118 H ALA 63 H ALA 63 43.039 -1.578 10.055 119 HA ALA 63 HA ALA 63 40.431 -0.661 9.461 120 1HB ALA 63 1HB ALA 63 41.088 -1.561 11.659 121 2HB ALA 63 2HB ALA 63 42.085 -0.135 11.946 122 3HB ALA 63 3HB ALA 63 40.333 0.024 11.828 123 H ASN 64 H ASN 64 43.069 1.366 10.823 124 HA ASN 64 HA ASN 64 41.941 3.865 10.627 125 1HB ASN 64 1HB ASN 64 44.741 2.918 10.071 126 2HB ASN 64 2HB ASN 64 44.327 4.618 9.823 127 1HD2 ASN 64 1HD2 ASN 64 44.051 2.037 12.332 128 2HD2 ASN 64 2HD2 ASN 64 44.210 3.098 13.648 129 H GLU 65 H GLU 65 42.945 1.819 7.983 130 HA GLU 65 HA GLU 65 41.757 3.792 6.086 131 1HB GLU 65 1HB GLU 65 44.235 3.866 5.909 132 2HB GLU 65 2HB GLU 65 44.253 2.124 5.604 133 1HG GLU 65 1HG GLU 65 42.685 2.595 3.640 134 2HG GLU 65 2HG GLU 65 43.066 4.301 3.867 135 H CYS 66 H CYS 66 40.049 2.000 6.915 136 HA CYS 66 HA CYS 66 40.146 -0.208 4.905 137 1HB CYS 66 1HB CYS 66 40.400 -1.337 6.956 138 2HB CYS 66 2HB CYS 66 39.316 -0.237 7.801 139 H LYS 67 H LYS 67 38.091 -0.931 4.135 140 HA LYS 67 HA LYS 67 35.658 0.562 4.699 141 1HB LYS 67 1HB LYS 67 37.336 1.677 2.766 142 2HB LYS 67 2HB LYS 67 36.184 0.730 1.823 143 1HG LYS 67 1HG LYS 67 34.880 2.592 2.031 144 2HG LYS 67 2HG LYS 67 34.504 1.901 3.611 145 1HD LYS 67 1HD LYS 67 35.158 4.250 3.866 146 2HD LYS 67 2HD LYS 67 36.374 3.204 4.600 147 1HE LYS 67 1HE LYS 67 37.224 3.417 1.965 148 2HE LYS 67 2HE LYS 67 36.629 5.035 2.335 149 1HZ LYS 67 1HZ LYS 67 37.955 4.612 4.535 150 2HZ LYS 67 2HZ LYS 67 38.832 3.540 3.552 151 3HZ LYS 67 3HZ LYS 67 38.738 5.183 3.140 152 H SER 68 H SER 68 33.822 -0.417 3.438 153 HA SER 68 HA SER 68 34.343 -2.815 1.905 154 1HB SER 68 1HB SER 68 34.583 -2.992 4.699 155 2HB SER 68 2HB SER 68 33.032 -3.753 4.312 156 HG SER 68 HG SER 68 34.179 -4.999 2.733 157 H LYS 69 H LYS 69 32.712 -1.284 0.795 158 HA LYS 69 HA LYS 69 30.039 -1.032 1.817 159 1HB LYS 69 1HB LYS 69 30.820 -1.199 -1.111 160 2HB LYS 69 2HB LYS 69 29.427 -0.367 -0.418 161 1HG LYS 69 1HG LYS 69 31.409 0.857 0.955 162 2HG LYS 69 2HG LYS 69 32.273 0.480 -0.536 163 1HD LYS 69 1HD LYS 69 31.120 2.029 -1.718 164 2HD LYS 69 2HD LYS 69 29.580 1.534 -1.018 165 1HE LYS 69 1HE LYS 69 29.912 3.762 -0.255 166 2HE LYS 69 2HE LYS 69 30.346 2.741 1.117 167 1HZ LYS 69 1HZ LYS 69 32.691 2.870 0.216 168 2HZ LYS 69 2HZ LYS 69 32.144 4.141 -0.770 169 3HZ LYS 69 3HZ LYS 69 32.074 4.282 0.923 170 H THR 70 H THR 70 29.500 -3.132 2.642 171 HA THR 70 HA THR 70 29.069 -5.199 0.525 172 HB THR 70 HB THR 70 30.243 -5.329 3.238 173 HG1 THR 70 HG1 THR 70 31.527 -5.941 1.628 174 1HG2 THR 70 1HG2 THR 70 28.352 -7.502 2.283 175 2HG2 THR 70 2HG2 THR 70 29.471 -7.649 3.636 176 3HG2 THR 70 3HG2 THR 70 28.137 -6.500 3.717 177 H ASP 71 H ASP 71 27.751 -3.772 3.523 178 HA ASP 71 HA ASP 71 25.060 -4.550 2.514 179 1HB ASP 71 1HB ASP 71 25.971 -6.176 4.287 180 2HB ASP 71 2HB ASP 71 25.757 -4.854 5.434 181 H ASN 72 H ASN 72 26.127 -3.036 5.586 182 HA ASN 72 HA ASN 72 24.805 -0.530 4.650 183 1HB ASN 72 1HB ASN 72 23.356 -2.071 6.164 184 2HB ASN 72 2HB ASN 72 24.417 -1.522 7.465 185 1HD2 ASN 72 1HD2 ASN 72 24.051 0.572 8.312 186 2HD2 ASN 72 2HD2 ASN 72 22.905 1.656 7.687 187 H GLN 73 H GLN 73 27.274 -2.045 6.648 188 HA GLN 73 HA GLN 73 28.240 0.690 7.335 189 1HB GLN 73 1HB GLN 73 28.388 -1.922 8.848 190 2HB GLN 73 2HB GLN 73 29.398 -0.537 9.249 191 1HG GLN 73 1HG GLN 73 26.379 -0.443 9.099 192 2HG GLN 73 2HG GLN 73 27.294 -0.619 10.596 193 1HE2 GLN 73 1HE2 GLN 73 26.178 1.668 8.223 194 2HE2 GLN 73 2HE2 GLN 73 26.929 3.044 8.896 195 H GLY 74 H GLY 74 30.626 -1.395 8.272 196 1HA GLY 74 1HA GLY 74 31.879 -1.412 5.562 197 2HA GLY 74 2HA GLY 74 32.770 -0.826 6.971 198 H ASN 75 H ASN 75 30.990 -3.216 8.263 199 HA ASN 75 HA ASN 75 32.976 -5.320 7.513 200 1HB ASN 75 1HB ASN 75 31.919 -4.473 10.177 201 2HB ASN 75 2HB ASN 75 32.711 -6.032 9.952 202 1HD2 ASN 75 1HD2 ASN 75 33.256 -2.531 9.392 203 2HD2 ASN 75 2HD2 ASN 75 34.944 -2.592 9.618 204 HA PRO 76 HA PRO 76 28.577 -7.115 7.813 205 1HB PRO 76 1HB PRO 76 27.405 -6.459 5.432 206 2HB PRO 76 2HB PRO 76 27.243 -5.436 6.873 207 1HG PRO 76 1HG PRO 76 28.849 -4.957 4.421 208 2HG PRO 76 2HG PRO 76 28.241 -3.792 5.605 209 1HD PRO 76 1HD PRO 76 30.915 -4.849 5.425 210 2HD PRO 76 2HD PRO 76 30.247 -3.775 6.666 211 H ILE 77 H ILE 77 31.325 -7.363 6.338 212 HA ILE 77 HA ILE 77 31.036 -8.643 3.915 213 HB ILE 77 HB ILE 77 33.107 -9.768 5.736 214 1HG1 ILE 77 1HG1 ILE 77 33.117 -7.485 6.537 215 2HG1 ILE 77 2HG1 ILE 77 34.465 -7.655 5.411 216 1HG2 ILE 77 1HG2 ILE 77 33.118 -8.584 2.945 217 2HG2 ILE 77 2HG2 ILE 77 34.502 -9.345 3.730 218 3HG2 ILE 77 3HG2 ILE 77 33.070 -10.302 3.344 219 1HD1 ILE 77 1HD1 ILE 77 31.814 -6.740 4.353 220 2HD1 ILE 77 2HD1 ILE 77 32.816 -5.591 5.239 221 3HD1 ILE 77 3HD1 ILE 77 33.437 -6.362 3.780 222 HA PRO 78 HA PRO 78 28.982 -12.370 5.284 223 1HB PRO 78 1HB PRO 78 28.662 -13.433 2.769 224 2HB PRO 78 2HB PRO 78 27.621 -12.158 3.433 225 1HG PRO 78 1HG PRO 78 29.762 -11.947 1.371 226 2HG PRO 78 2HG PRO 78 28.344 -10.917 1.625 227 1HD PRO 78 1HD PRO 78 31.010 -10.320 2.403 228 2HD PRO 78 2HD PRO 78 29.547 -9.441 2.899 229 HA PRO 79 HA PRO 79 32.492 -15.108 5.230 230 1HB PRO 79 1HB PRO 79 31.271 -17.203 6.526 231 2HB PRO 79 2HB PRO 79 31.854 -15.745 7.354 232 1HG PRO 79 1HG PRO 79 29.055 -16.551 6.714 233 2HG PRO 79 2HG PRO 79 29.652 -15.496 8.005 234 1HD PRO 79 1HD PRO 79 28.454 -14.646 5.579 235 2HD PRO 79 2HD PRO 79 29.324 -13.617 6.736 236 H HIS 80 H HIS 80 33.121 -17.122 4.186 237 HA HIS 80 HA HIS 80 33.033 -18.695 2.448 238 1HB HIS 80 1HB HIS 80 30.566 -18.934 3.955 239 2HB HIS 80 2HB HIS 80 30.293 -19.312 2.253 240 HD1 HIS 80 HD1 HIS 80 30.810 -21.669 1.640 241 HD2 HIS 80 HD2 HIS 80 33.044 -20.422 4.933 242 HE1 HIS 80 HE1 HIS 80 32.182 -23.668 2.375 Start of MODEL 5 1 H VAL 49 H VAL 49 52.756 -4.449 8.224 2 HA VAL 49 HA VAL 49 52.721 -4.484 5.239 3 HB VAL 49 HB VAL 49 53.821 -6.674 7.008 4 1HG1 VAL 49 1HG1 VAL 49 53.066 -6.770 4.409 5 2HG1 VAL 49 2HG1 VAL 49 54.724 -6.201 4.224 6 3HG1 VAL 49 3HG1 VAL 49 54.402 -7.719 5.061 7 1HG2 VAL 49 1HG2 VAL 49 55.001 -4.108 6.100 8 2HG2 VAL 49 2HG2 VAL 49 55.449 -5.132 7.464 9 3HG2 VAL 49 3HG2 VAL 49 56.001 -5.537 5.840 10 HA PRO 50 HA PRO 50 49.180 -7.092 7.068 11 1HB PRO 50 1HB PRO 50 47.140 -5.221 7.146 12 2HB PRO 50 2HB PRO 50 48.114 -5.704 8.542 13 1HG PRO 50 1HG PRO 50 48.236 -3.168 6.995 14 2HG PRO 50 2HG PRO 50 48.750 -3.502 8.647 15 1HD PRO 50 1HD PRO 50 50.443 -3.270 6.392 16 2HD PRO 50 2HD PRO 50 50.878 -3.878 8.003 17 H GLY 51 H GLY 51 47.363 -7.820 5.664 18 1HA GLY 51 1HA GLY 51 47.534 -6.608 2.928 19 2HA GLY 51 2HA GLY 51 47.432 -8.347 3.190 20 H LEU 52 H LEU 52 45.485 -9.095 2.657 21 HA LEU 52 HA LEU 52 43.214 -8.275 1.792 22 1HB LEU 52 1HB LEU 52 43.180 -10.502 2.596 23 2HB LEU 52 2HB LEU 52 43.401 -9.981 4.267 24 HG LEU 52 HG LEU 52 41.013 -10.692 3.402 25 1HD1 LEU 52 1HD1 LEU 52 41.902 -9.371 5.565 26 2HD1 LEU 52 2HD1 LEU 52 40.779 -8.190 4.890 27 3HD1 LEU 52 3HD1 LEU 52 40.218 -9.813 5.294 28 1HD2 LEU 52 1HD2 LEU 52 41.451 -8.469 1.754 29 2HD2 LEU 52 2HD2 LEU 52 39.945 -9.328 1.988 30 3HD2 LEU 52 3HD2 LEU 52 40.316 -7.926 2.985 31 H CYS 53 H CYS 53 43.298 -8.175 5.250 32 HA CYS 53 HA CYS 53 43.042 -5.720 6.128 33 1HB CYS 53 1HB CYS 53 41.489 -5.108 4.363 34 2HB CYS 53 2HB CYS 53 40.350 -6.340 4.882 35 HA PRO 54 HA PRO 54 41.922 -8.344 9.538 36 1HB PRO 54 1HB PRO 54 42.588 -6.526 11.492 37 2HB PRO 54 2HB PRO 54 43.771 -7.533 10.639 38 1HG PRO 54 1HG PRO 54 43.189 -4.626 10.303 39 2HG PRO 54 2HG PRO 54 44.694 -5.514 9.998 40 1HD PRO 54 1HD PRO 54 42.851 -4.664 8.031 41 2HD PRO 54 2HD PRO 54 44.158 -5.844 7.792 42 H ARG 55 H ARG 55 40.160 -5.966 8.255 43 HA ARG 55 HA ARG 55 38.241 -5.859 10.538 44 1HB ARG 55 1HB ARG 55 39.298 -3.761 8.793 45 2HB ARG 55 2HB ARG 55 37.535 -3.809 8.789 46 1HG ARG 55 1HG ARG 55 37.714 -2.580 10.693 47 2HG ARG 55 2HG ARG 55 38.078 -4.129 11.455 48 1HD ARG 55 1HD ARG 55 40.520 -3.702 10.875 49 2HD ARG 55 2HD ARG 55 40.042 -2.059 10.448 50 HE ARG 55 HE ARG 55 39.218 -1.867 12.848 51 1HH1 ARG 55 1HH1 ARG 55 42.301 -2.504 12.179 52 2HH1 ARG 55 2HH1 ARG 55 42.684 -3.396 13.614 53 1HH2 ARG 55 1HH2 ARG 55 39.376 -3.760 14.589 54 2HH2 ARG 55 2HH2 ARG 55 41.028 -4.107 14.978 55 H CYS 56 H CYS 56 38.583 -5.972 6.986 56 HA CYS 56 HA CYS 56 35.922 -7.327 6.917 57 1HB CYS 56 1HB CYS 56 35.508 -6.386 4.731 58 2HB CYS 56 2HB CYS 56 36.009 -5.056 5.772 59 H LYS 57 H LYS 57 36.631 -7.862 3.989 60 HA LYS 57 HA LYS 57 38.894 -9.568 4.009 61 1HB LYS 57 1HB LYS 57 37.448 -11.638 3.449 62 2HB LYS 57 2HB LYS 57 37.562 -11.169 5.148 63 1HG LYS 57 1HG LYS 57 35.432 -9.653 4.212 64 2HG LYS 57 2HG LYS 57 35.231 -11.194 3.380 65 1HD LYS 57 1HD LYS 57 34.185 -11.792 5.323 66 2HD LYS 57 2HD LYS 57 35.836 -12.084 5.868 67 1HE LYS 57 1HE LYS 57 35.501 -9.356 6.274 68 2HE LYS 57 2HE LYS 57 33.938 -10.034 6.727 69 1HZ LYS 57 1HZ LYS 57 35.608 -11.773 7.866 70 2HZ LYS 57 2HZ LYS 57 36.528 -10.353 7.984 71 3HZ LYS 57 3HZ LYS 57 34.971 -10.416 8.664 72 H ARG 58 H ARG 58 37.563 -7.365 2.499 73 HA ARG 58 HA ARG 58 37.634 -8.672 -0.180 74 1HB ARG 58 1HB ARG 58 35.304 -7.779 0.901 75 2HB ARG 58 2HB ARG 58 35.881 -6.302 0.125 76 1HG ARG 58 1HG ARG 58 36.270 -7.704 -1.969 77 2HG ARG 58 2HG ARG 58 35.367 -8.990 -1.168 78 1HD ARG 58 1HD ARG 58 34.105 -6.301 -1.154 79 2HD ARG 58 2HD ARG 58 34.183 -7.118 -2.716 80 HE ARG 58 HE ARG 58 33.033 -8.531 -0.351 81 1HH1 ARG 58 1HH1 ARG 58 33.166 -9.577 -3.246 82 2HH1 ARG 58 2HH1 ARG 58 31.529 -9.321 -3.751 83 1HH2 ARG 58 1HH2 ARG 58 30.773 -7.190 -1.122 84 2HH2 ARG 58 2HH2 ARG 58 30.173 -7.970 -2.547 85 H GLY 59 H GLY 59 39.934 -7.764 0.334 86 1HA GLY 59 1HA GLY 59 40.638 -5.709 -1.354 87 2HA GLY 59 2HA GLY 59 40.220 -4.866 0.138 88 H LYS 60 H LYS 60 42.239 -4.247 0.772 89 HA LYS 60 HA LYS 60 43.968 -6.231 2.046 90 1HB LYS 60 1HB LYS 60 44.518 -5.449 -0.664 91 2HB LYS 60 2HB LYS 60 45.733 -4.706 0.383 92 1HG LYS 60 1HG LYS 60 46.480 -6.780 1.196 93 2HG LYS 60 2HG LYS 60 44.995 -7.606 0.724 94 1HD LYS 60 1HD LYS 60 46.392 -6.365 -1.538 95 2HD LYS 60 2HD LYS 60 47.345 -7.610 -0.730 96 1HE LYS 60 1HE LYS 60 44.462 -8.046 -1.526 97 2HE LYS 60 2HE LYS 60 45.806 -8.421 -2.604 98 1HZ LYS 60 1HZ LYS 60 46.663 -9.643 -0.457 99 2HZ LYS 60 2HZ LYS 60 45.003 -9.713 -0.107 100 3HZ LYS 60 3HZ LYS 60 45.602 -10.400 -1.540 101 H HIS 61 H HIS 61 43.334 -4.789 3.870 102 HA HIS 61 HA HIS 61 45.168 -2.599 4.267 103 1HB HIS 61 1HB HIS 61 43.379 -0.825 4.265 104 2HB HIS 61 2HB HIS 61 43.932 -1.363 2.664 105 HD1 HIS 61 HD1 HIS 61 42.182 -2.426 1.139 106 HD2 HIS 61 HD2 HIS 61 40.892 -2.219 5.096 107 HE1 HIS 61 HE1 HIS 61 39.786 -3.279 1.162 108 H TRP 62 H TRP 62 44.103 -0.972 5.945 109 HA TRP 62 HA TRP 62 42.930 -2.696 8.068 110 1HB TRP 62 1HB TRP 62 44.197 -0.411 9.180 111 2HB TRP 62 2HB TRP 62 44.715 -2.087 9.241 112 HD1 TRP 62 HD1 TRP 62 45.983 1.084 8.216 113 HE1 TRP 62 HE1 TRP 62 47.882 0.878 6.483 114 HE3 TRP 62 HE3 TRP 62 45.310 -3.750 6.775 115 HZ2 TRP 62 HZ2 TRP 62 48.955 -1.096 4.691 116 HZ3 TRP 62 HZ3 TRP 62 46.725 -4.747 5.026 117 HH2 TRP 62 HH2 TRP 62 48.568 -3.441 3.997 118 H ALA 63 H ALA 63 41.886 -1.286 9.856 119 HA ALA 63 HA ALA 63 39.510 -0.148 8.956 120 1HB ALA 63 1HB ALA 63 40.903 -0.354 11.464 121 2HB ALA 63 2HB ALA 63 40.175 1.246 11.328 122 3HB ALA 63 3HB ALA 63 39.171 -0.196 11.174 123 H ASN 64 H ASN 64 42.118 1.893 10.349 124 HA ASN 64 HA ASN 64 41.217 4.384 9.623 125 1HB ASN 64 1HB ASN 64 43.864 3.197 10.021 126 2HB ASN 64 2HB ASN 64 43.895 4.567 8.905 127 1HD2 ASN 64 1HD2 ASN 64 43.381 6.679 9.751 128 2HD2 ASN 64 2HD2 ASN 64 43.178 6.968 11.412 129 H GLU 65 H GLU 65 42.434 1.916 7.476 130 HA GLU 65 HA GLU 65 41.691 3.651 5.163 131 1HB GLU 65 1HB GLU 65 44.163 3.539 5.349 132 2HB GLU 65 2HB GLU 65 44.078 1.774 5.321 133 1HG GLU 65 1HG GLU 65 43.838 1.729 3.075 134 2HG GLU 65 2HG GLU 65 42.601 2.987 3.110 135 H CYS 66 H CYS 66 39.754 2.086 6.017 136 HA CYS 66 HA CYS 66 39.862 -0.295 4.223 137 1HB CYS 66 1HB CYS 66 40.098 -1.222 6.423 138 2HB CYS 66 2HB CYS 66 38.851 -0.159 7.073 139 H LYS 67 H LYS 67 37.895 -0.885 3.286 140 HA LYS 67 HA LYS 67 35.467 0.641 3.860 141 1HB LYS 67 1HB LYS 67 37.213 1.534 1.802 142 2HB LYS 67 2HB LYS 67 35.850 0.750 1.004 143 1HG LYS 67 1HG LYS 67 34.299 2.116 2.411 144 2HG LYS 67 2HG LYS 67 35.699 2.970 3.062 145 1HD LYS 67 1HD LYS 67 36.213 3.221 0.421 146 2HD LYS 67 2HD LYS 67 34.451 3.158 0.374 147 1HE LYS 67 1HE LYS 67 35.362 4.862 2.538 148 2HE LYS 67 2HE LYS 67 36.029 5.395 0.995 149 1HZ LYS 67 1HZ LYS 67 33.578 4.961 0.219 150 2HZ LYS 67 2HZ LYS 67 33.237 5.238 1.861 151 3HZ LYS 67 3HZ LYS 67 34.021 6.431 0.945 152 H SER 68 H SER 68 33.639 -0.463 3.166 153 HA SER 68 HA SER 68 33.851 -2.738 1.379 154 1HB SER 68 1HB SER 68 34.660 -3.048 4.054 155 2HB SER 68 2HB SER 68 33.079 -3.847 3.951 156 HG SER 68 HG SER 68 35.296 -4.888 3.228 157 H LYS 69 H LYS 69 32.116 -0.693 1.161 158 HA LYS 69 HA LYS 69 29.693 -0.707 2.562 159 1HB LYS 69 1HB LYS 69 28.655 -0.049 0.316 160 2HB LYS 69 2HB LYS 69 30.000 0.952 0.865 161 1HG LYS 69 1HG LYS 69 31.350 -0.966 -0.514 162 2HG LYS 69 2HG LYS 69 29.846 -0.910 -1.435 163 1HD LYS 69 1HD LYS 69 30.233 1.718 -1.210 164 2HD LYS 69 2HD LYS 69 31.916 1.210 -1.054 165 1HE LYS 69 1HE LYS 69 31.879 1.250 -3.334 166 2HE LYS 69 2HE LYS 69 31.120 -0.332 -3.153 167 1HZ LYS 69 1HZ LYS 69 29.522 2.153 -3.145 168 2HZ LYS 69 2HZ LYS 69 29.946 1.382 -4.600 169 3HZ LYS 69 3HZ LYS 69 29.008 0.562 -3.448 170 H THR 70 H THR 70 29.160 -2.832 3.191 171 HA THR 70 HA THR 70 28.258 -4.613 0.967 172 HB THR 70 HB THR 70 29.926 -5.092 3.347 173 HG1 THR 70 HG1 THR 70 29.356 -6.636 1.043 174 1HG2 THR 70 1HG2 THR 70 27.823 -6.127 4.163 175 2HG2 THR 70 2HG2 THR 70 27.739 -7.089 2.687 176 3HG2 THR 70 3HG2 THR 70 29.062 -7.332 3.823 177 H ASP 71 H ASP 71 27.601 -3.462 4.268 178 HA ASP 71 HA ASP 71 24.736 -3.569 3.737 179 1HB ASP 71 1HB ASP 71 25.863 -5.934 4.650 180 2HB ASP 71 2HB ASP 71 25.229 -5.186 6.116 181 H ASN 72 H ASN 72 26.765 -3.812 6.691 182 HA ASN 72 HA ASN 72 25.202 -1.606 7.856 183 1HB ASN 72 1HB ASN 72 26.084 -3.806 9.026 184 2HB ASN 72 2HB ASN 72 27.547 -2.843 9.250 185 1HD2 ASN 72 1HD2 ASN 72 27.545 -1.637 11.146 186 2HD2 ASN 72 2HD2 ASN 72 26.158 -1.080 11.950 187 H GLN 73 H GLN 73 28.745 -2.141 8.049 188 HA GLN 73 HA GLN 73 29.051 0.706 7.199 189 1HB GLN 73 1HB GLN 73 29.971 -0.690 9.635 190 2HB GLN 73 2HB GLN 73 31.187 0.316 8.843 191 1HG GLN 73 1HG GLN 73 29.544 2.204 8.823 192 2HG GLN 73 2HG GLN 73 28.427 1.193 9.738 193 1HE2 GLN 73 1HE2 GLN 73 29.023 0.628 11.971 194 2HE2 GLN 73 2HE2 GLN 73 30.214 1.521 12.805 195 H GLY 74 H GLY 74 31.743 -1.330 8.140 196 1HA GLY 74 1HA GLY 74 32.464 -1.581 5.247 197 2HA GLY 74 2HA GLY 74 33.650 -1.088 6.458 198 H ASN 75 H ASN 75 31.826 -3.270 8.081 199 HA ASN 75 HA ASN 75 33.486 -5.547 7.081 200 1HB ASN 75 1HB ASN 75 32.736 -4.891 9.914 201 2HB ASN 75 2HB ASN 75 33.755 -6.245 9.408 202 1HD2 ASN 75 1HD2 ASN 75 33.997 -3.203 10.703 203 2HD2 ASN 75 2HD2 ASN 75 35.518 -2.744 10.084 204 HA PRO 76 HA PRO 76 29.056 -7.020 8.075 205 1HB PRO 76 1HB PRO 76 27.494 -6.165 6.005 206 2HB PRO 76 2HB PRO 76 27.687 -5.217 7.494 207 1HG PRO 76 1HG PRO 76 28.829 -4.708 4.796 208 2HG PRO 76 2HG PRO 76 28.518 -3.566 6.111 209 1HD PRO 76 1HD PRO 76 31.041 -4.729 5.394 210 2HD PRO 76 2HD PRO 76 30.675 -3.711 6.795 211 H ILE 77 H ILE 77 31.424 -7.271 6.008 212 HA ILE 77 HA ILE 77 30.694 -8.359 3.634 213 HB ILE 77 HB ILE 77 32.813 -9.801 5.202 214 1HG1 ILE 77 1HG1 ILE 77 33.232 -7.559 5.924 215 2HG1 ILE 77 2HG1 ILE 77 34.330 -7.826 4.567 216 1HG2 ILE 77 1HG2 ILE 77 32.120 -9.257 2.411 217 2HG2 ILE 77 2HG2 ILE 77 33.808 -8.894 2.774 218 3HG2 ILE 77 3HG2 ILE 77 33.166 -10.507 3.083 219 1HD1 ILE 77 1HD1 ILE 77 31.759 -6.827 3.636 220 2HD1 ILE 77 2HD1 ILE 77 32.459 -5.747 4.839 221 3HD1 ILE 77 3HD1 ILE 77 33.368 -6.158 3.389 222 HA PRO 78 HA PRO 78 28.158 -11.759 4.953 223 1HB PRO 78 1HB PRO 78 27.514 -12.636 2.418 224 2HB PRO 78 2HB PRO 78 26.720 -11.293 3.263 225 1HG PRO 78 1HG PRO 78 28.687 -11.199 1.027 226 2HG PRO 78 2HG PRO 78 27.447 -10.023 1.482 227 1HD PRO 78 1HD PRO 78 30.208 -9.789 2.037 228 2HD PRO 78 2HD PRO 78 28.911 -8.828 2.774 229 HA PRO 79 HA PRO 79 30.826 -15.167 2.870 230 1HB PRO 79 1HB PRO 79 33.292 -14.390 1.934 231 2HB PRO 79 2HB PRO 79 31.842 -14.483 0.915 232 1HG PRO 79 1HG PRO 79 33.207 -12.073 2.030 233 2HG PRO 79 2HG PRO 79 32.242 -12.235 0.552 234 1HD PRO 79 1HD PRO 79 31.340 -11.115 2.971 235 2HD PRO 79 2HD PRO 79 30.315 -11.652 1.631 236 H HIS 80 H HIS 80 33.364 -15.917 3.431 237 HA HIS 80 HA HIS 80 33.999 -14.746 6.104 238 1HB HIS 80 1HB HIS 80 33.643 -17.650 5.354 239 2HB HIS 80 2HB HIS 80 34.570 -17.164 6.772 240 HD1 HIS 80 HD1 HIS 80 32.627 -14.655 7.375 241 HD2 HIS 80 HD2 HIS 80 31.474 -18.636 6.926 242 HE1 HIS 80 HE1 HIS 80 30.412 -14.900 8.578 Start of MODEL 6 1 H VAL 49 H VAL 49 53.378 -3.475 6.359 2 HA VAL 49 HA VAL 49 52.694 -3.867 3.479 3 HB VAL 49 HB VAL 49 54.384 -5.695 5.201 4 1HG1 VAL 49 1HG1 VAL 49 53.248 -5.793 2.462 5 2HG1 VAL 49 2HG1 VAL 49 54.935 -6.290 2.615 6 3HG1 VAL 49 3HG1 VAL 49 53.684 -7.112 3.547 7 1HG2 VAL 49 1HG2 VAL 49 55.363 -3.396 4.626 8 2HG2 VAL 49 2HG2 VAL 49 56.297 -4.791 4.088 9 3HG2 VAL 49 3HG2 VAL 49 55.298 -3.903 2.938 10 HA PRO 50 HA PRO 50 49.816 -6.382 6.329 11 1HB PRO 50 1HB PRO 50 47.711 -4.604 6.611 12 2HB PRO 50 2HB PRO 50 48.986 -4.852 7.811 13 1HG PRO 50 1HG PRO 50 48.607 -2.544 5.978 14 2HG PRO 50 2HG PRO 50 49.480 -2.634 7.504 15 1HD PRO 50 1HD PRO 50 50.630 -2.636 4.917 16 2HD PRO 50 2HD PRO 50 51.442 -2.990 6.458 17 H GLY 51 H GLY 51 47.444 -7.028 5.561 18 1HA GLY 51 1HA GLY 51 47.116 -6.311 2.680 19 2HA GLY 51 2HA GLY 51 47.277 -8.006 3.120 20 H LEU 52 H LEU 52 45.336 -8.768 2.555 21 HA LEU 52 HA LEU 52 42.937 -8.414 2.105 22 1HB LEU 52 1HB LEU 52 43.407 -10.528 3.205 23 2HB LEU 52 2HB LEU 52 43.369 -9.732 4.786 24 HG LEU 52 HG LEU 52 41.022 -9.370 2.972 25 1HD1 LEU 52 1HD1 LEU 52 41.702 -11.878 3.108 26 2HD1 LEU 52 2HD1 LEU 52 41.181 -11.770 4.789 27 3HD1 LEU 52 3HD1 LEU 52 40.035 -11.448 3.488 28 1HD2 LEU 52 1HD2 LEU 52 41.719 -9.093 5.794 29 2HD2 LEU 52 2HD2 LEU 52 40.493 -8.254 4.848 30 3HD2 LEU 52 3HD2 LEU 52 40.154 -9.845 5.524 31 H CYS 53 H CYS 53 43.315 -7.973 5.508 32 HA CYS 53 HA CYS 53 42.802 -5.548 6.305 33 1HB CYS 53 1HB CYS 53 41.153 -5.161 4.557 34 2HB CYS 53 2HB CYS 53 40.143 -6.466 5.180 35 HA PRO 54 HA PRO 54 41.995 -8.181 9.805 36 1HB PRO 54 1HB PRO 54 42.586 -6.274 11.694 37 2HB PRO 54 2HB PRO 54 43.812 -7.207 10.820 38 1HG PRO 54 1HG PRO 54 43.004 -4.360 10.450 39 2HG PRO 54 2HG PRO 54 44.557 -5.143 10.101 40 1HD PRO 54 1HD PRO 54 42.574 -4.474 8.196 41 2HD PRO 54 2HD PRO 54 43.964 -5.546 7.924 42 H ARG 55 H ARG 55 40.012 -5.944 8.559 43 HA ARG 55 HA ARG 55 38.173 -5.971 10.917 44 1HB ARG 55 1HB ARG 55 39.140 -3.708 9.815 45 2HB ARG 55 2HB ARG 55 37.765 -3.972 8.741 46 1HG ARG 55 1HG ARG 55 36.619 -2.860 10.375 47 2HG ARG 55 2HG ARG 55 36.591 -4.448 11.142 48 1HD ARG 55 1HD ARG 55 38.216 -3.888 12.684 49 2HD ARG 55 2HD ARG 55 38.987 -2.726 11.605 50 HE ARG 55 HE ARG 55 36.661 -2.190 13.349 51 1HH1 ARG 55 1HH1 ARG 55 36.310 -0.969 10.593 52 2HH1 ARG 55 2HH1 ARG 55 37.009 0.599 10.820 53 1HH2 ARG 55 1HH2 ARG 55 38.634 -0.262 13.764 54 2HH2 ARG 55 2HH2 ARG 55 38.327 1.000 12.618 55 H CYS 56 H CYS 56 38.096 -5.663 7.336 56 HA CYS 56 HA CYS 56 35.619 -7.300 7.359 57 1HB CYS 56 1HB CYS 56 35.145 -6.427 5.162 58 2HB CYS 56 2HB CYS 56 35.697 -5.054 6.120 59 H LYS 57 H LYS 57 36.316 -7.964 4.471 60 HA LYS 57 HA LYS 57 38.656 -9.573 4.545 61 1HB LYS 57 1HB LYS 57 36.051 -10.765 5.247 62 2HB LYS 57 2HB LYS 57 36.941 -11.632 3.992 63 1HG LYS 57 1HG LYS 57 38.948 -11.178 5.751 64 2HG LYS 57 2HG LYS 57 37.587 -11.283 6.867 65 1HD LYS 57 1HD LYS 57 36.946 -13.418 5.528 66 2HD LYS 57 2HD LYS 57 38.609 -13.363 4.942 67 1HE LYS 57 1HE LYS 57 38.951 -14.629 6.835 68 2HE LYS 57 2HE LYS 57 39.105 -13.025 7.553 69 1HZ LYS 57 1HZ LYS 57 36.642 -13.150 7.957 70 2HZ LYS 57 2HZ LYS 57 36.733 -14.798 7.555 71 3HZ LYS 57 3HZ LYS 57 37.593 -14.204 8.890 72 H ARG 58 H ARG 58 37.104 -7.551 2.912 73 HA ARG 58 HA ARG 58 37.070 -9.128 0.372 74 1HB ARG 58 1HB ARG 58 34.883 -7.967 1.462 75 2HB ARG 58 2HB ARG 58 35.514 -6.605 0.527 76 1HG ARG 58 1HG ARG 58 35.693 -8.981 -1.074 77 2HG ARG 58 2HG ARG 58 34.052 -8.853 -0.435 78 1HD ARG 58 1HD ARG 58 33.851 -6.578 -1.291 79 2HD ARG 58 2HD ARG 58 35.530 -6.604 -1.834 80 HE ARG 58 HE ARG 58 33.291 -7.726 -3.264 81 1HH1 ARG 58 1HH1 ARG 58 36.668 -7.891 -2.619 82 2HH1 ARG 58 2HH1 ARG 58 37.010 -8.940 -3.954 83 1HH2 ARG 58 1HH2 ARG 58 33.696 -9.225 -4.929 84 2HH2 ARG 58 2HH2 ARG 58 35.330 -9.694 -5.260 85 H GLY 59 H GLY 59 39.235 -7.441 1.764 86 1HA GLY 59 1HA GLY 59 39.900 -5.937 -0.700 87 2HA GLY 59 2HA GLY 59 39.725 -4.970 0.765 88 H LYS 60 H LYS 60 41.827 -4.388 1.004 89 HA LYS 60 HA LYS 60 43.655 -6.323 2.187 90 1HB LYS 60 1HB LYS 60 43.847 -5.712 -0.631 91 2HB LYS 60 2HB LYS 60 45.242 -5.038 0.214 92 1HG LYS 60 1HG LYS 60 45.961 -7.129 0.974 93 2HG LYS 60 2HG LYS 60 44.355 -7.844 0.820 94 1HD LYS 60 1HD LYS 60 45.940 -6.900 -1.577 95 2HD LYS 60 2HD LYS 60 46.063 -8.546 -0.949 96 1HE LYS 60 1HE LYS 60 43.529 -8.682 -1.141 97 2HE LYS 60 2HE LYS 60 43.598 -7.168 -2.043 98 1HZ LYS 60 1HZ LYS 60 45.123 -9.608 -2.773 99 2HZ LYS 60 2HZ LYS 60 43.626 -9.188 -3.453 100 3HZ LYS 60 3HZ LYS 60 44.975 -8.181 -3.684 101 H HIS 61 H HIS 61 43.133 -4.705 3.883 102 HA HIS 61 HA HIS 61 45.063 -2.506 3.844 103 1HB HIS 61 1HB HIS 61 43.164 -0.823 4.213 104 2HB HIS 61 2HB HIS 61 43.506 -1.321 2.546 105 HD1 HIS 61 HD1 HIS 61 41.563 -2.350 1.272 106 HD2 HIS 61 HD2 HIS 61 40.961 -2.471 5.398 107 HE1 HIS 61 HE1 HIS 61 39.254 -3.357 1.636 108 H TRP 62 H TRP 62 44.198 -0.843 5.677 109 HA TRP 62 HA TRP 62 43.916 -2.582 8.058 110 1HB TRP 62 1HB TRP 62 44.768 0.141 8.600 111 2HB TRP 62 2HB TRP 62 45.600 -1.379 8.892 112 HD1 TRP 62 HD1 TRP 62 46.360 1.614 7.257 113 HE1 TRP 62 HE1 TRP 62 47.861 1.323 5.180 114 HE3 TRP 62 HE3 TRP 62 45.778 -3.381 6.461 115 HZ2 TRP 62 HZ2 TRP 62 48.678 -0.775 3.388 116 HZ3 TRP 62 HZ3 TRP 62 46.856 -4.481 4.548 117 HH2 TRP 62 HH2 TRP 62 48.333 -3.207 3.024 118 H ALA 63 H ALA 63 42.790 -1.606 9.947 119 HA ALA 63 HA ALA 63 40.112 -1.035 9.489 120 1HB ALA 63 1HB ALA 63 41.937 -0.863 11.752 121 2HB ALA 63 2HB ALA 63 40.673 0.365 11.834 122 3HB ALA 63 3HB ALA 63 40.240 -1.341 11.717 123 H ASN 64 H ASN 64 42.145 1.566 10.842 124 HA ASN 64 HA ASN 64 40.636 3.763 10.330 125 1HB ASN 64 1HB ASN 64 43.567 3.292 10.221 126 2HB ASN 64 2HB ASN 64 42.993 4.801 9.502 127 1HD2 ASN 64 1HD2 ASN 64 42.784 2.875 12.531 128 2HD2 ASN 64 2HD2 ASN 64 42.535 4.213 13.545 129 H GLU 65 H GLU 65 42.692 2.224 7.854 130 HA GLU 65 HA GLU 65 41.176 3.766 5.791 131 1HB GLU 65 1HB GLU 65 43.841 3.732 6.059 132 2HB GLU 65 2HB GLU 65 43.663 2.253 5.108 133 1HG GLU 65 1HG GLU 65 42.230 4.753 4.251 134 2HG GLU 65 2HG GLU 65 43.941 4.555 3.872 135 H CYS 66 H CYS 66 39.582 1.864 6.539 136 HA CYS 66 HA CYS 66 40.130 -0.438 4.724 137 1HB CYS 66 1HB CYS 66 40.094 -1.529 6.760 138 2HB CYS 66 2HB CYS 66 39.041 -0.331 7.499 139 H LYS 67 H LYS 67 38.325 -1.341 3.640 140 HA LYS 67 HA LYS 67 35.765 0.106 3.690 141 1HB LYS 67 1HB LYS 67 36.948 -0.264 0.971 142 2HB LYS 67 2HB LYS 67 35.830 0.973 1.545 143 1HG LYS 67 1HG LYS 67 37.741 1.942 2.892 144 2HG LYS 67 2HG LYS 67 38.812 0.821 2.049 145 1HD LYS 67 1HD LYS 67 37.927 1.773 -0.128 146 2HD LYS 67 2HD LYS 67 37.131 3.024 0.829 147 1HE LYS 67 1HE LYS 67 39.202 3.994 0.210 148 2HE LYS 67 2HE LYS 67 39.452 3.449 1.869 149 1HZ LYS 67 1HZ LYS 67 40.122 1.765 -0.471 150 2HZ LYS 67 2HZ LYS 67 41.234 2.848 0.212 151 3HZ LYS 67 3HZ LYS 67 40.619 1.567 1.142 152 H SER 68 H SER 68 34.162 -1.075 2.348 153 HA SER 68 HA SER 68 34.887 -3.790 1.538 154 1HB SER 68 1HB SER 68 34.085 -3.176 4.212 155 2HB SER 68 2HB SER 68 32.824 -4.166 3.468 156 HG SER 68 HG SER 68 35.478 -4.890 3.012 157 H LYS 69 H LYS 69 32.482 -1.250 1.937 158 HA LYS 69 HA LYS 69 30.376 -0.961 0.922 159 1HB LYS 69 1HB LYS 69 32.408 -1.229 -0.975 160 2HB LYS 69 2HB LYS 69 31.124 -2.283 -1.566 161 1HG LYS 69 1HG LYS 69 30.721 0.601 -0.725 162 2HG LYS 69 2HG LYS 69 30.899 0.061 -2.395 163 1HD LYS 69 1HD LYS 69 28.921 -1.567 -1.095 164 2HD LYS 69 2HD LYS 69 28.521 0.133 -0.845 165 1HE LYS 69 1HE LYS 69 27.612 -0.943 -2.987 166 2HE LYS 69 2HE LYS 69 28.487 0.575 -3.185 167 1HZ LYS 69 1HZ LYS 69 30.132 -1.802 -3.256 168 2HZ LYS 69 2HZ LYS 69 29.029 -1.672 -4.538 169 3HZ LYS 69 3HZ LYS 69 30.156 -0.431 -4.259 170 H THR 70 H THR 70 29.679 -2.821 2.450 171 HA THR 70 HA THR 70 28.557 -4.988 0.738 172 HB THR 70 HB THR 70 30.061 -5.207 3.332 173 HG1 THR 70 HG1 THR 70 29.918 -6.998 1.163 174 1HG2 THR 70 1HG2 THR 70 27.615 -6.693 2.578 175 2HG2 THR 70 2HG2 THR 70 28.977 -7.689 3.092 176 3HG2 THR 70 3HG2 THR 70 28.340 -6.444 4.162 177 H ASP 71 H ASP 71 28.262 -3.032 3.690 178 HA ASP 71 HA ASP 71 25.335 -3.096 3.349 179 1HB ASP 71 1HB ASP 71 26.247 -5.039 4.917 180 2HB ASP 71 2HB ASP 71 26.278 -3.738 6.109 181 H ASN 72 H ASN 72 25.176 -2.148 6.272 182 HA ASN 72 HA ASN 72 25.855 0.662 5.634 183 1HB ASN 72 1HB ASN 72 24.239 1.295 7.201 184 2HB ASN 72 2HB ASN 72 23.569 -0.210 6.568 185 1HD2 ASN 72 1HD2 ASN 72 24.310 -2.255 7.909 186 2HD2 ASN 72 2HD2 ASN 72 24.359 -2.062 9.594 187 H GLN 73 H GLN 73 27.649 -1.694 6.803 188 HA GLN 73 HA GLN 73 28.834 0.004 8.968 189 1HB GLN 73 1HB GLN 73 27.903 -2.581 9.248 190 2HB GLN 73 2HB GLN 73 29.622 -2.832 8.935 191 1HG GLN 73 1HG GLN 73 29.663 -2.536 11.234 192 2HG GLN 73 2HG GLN 73 29.890 -0.870 10.698 193 1HE2 GLN 73 1HE2 GLN 73 28.865 -0.191 12.788 194 2HE2 GLN 73 2HE2 GLN 73 27.166 -0.243 12.941 195 H GLY 74 H GLY 74 31.190 -1.798 9.016 196 1HA GLY 74 1HA GLY 74 32.417 -0.951 6.422 197 2HA GLY 74 2HA GLY 74 33.292 -0.899 7.957 198 H ASN 75 H ASN 75 31.502 -3.581 8.302 199 HA ASN 75 HA ASN 75 33.193 -5.367 6.651 200 1HB ASN 75 1HB ASN 75 33.014 -6.198 9.422 201 2HB ASN 75 2HB ASN 75 34.402 -6.257 8.342 202 1HD2 ASN 75 1HD2 ASN 75 32.559 -4.102 10.512 203 2HD2 ASN 75 2HD2 ASN 75 33.826 -2.982 10.752 204 HA PRO 76 HA PRO 76 28.982 -7.118 7.786 205 1HB PRO 76 1HB PRO 76 27.462 -6.156 5.727 206 2HB PRO 76 2HB PRO 76 27.663 -5.263 7.246 207 1HG PRO 76 1HG PRO 76 28.812 -4.659 4.577 208 2HG PRO 76 2HG PRO 76 28.584 -3.586 5.966 209 1HD PRO 76 1HD PRO 76 31.037 -4.909 5.148 210 2HD PRO 76 2HD PRO 76 30.781 -3.850 6.543 211 H ILE 77 H ILE 77 31.398 -7.501 5.902 212 HA ILE 77 HA ILE 77 30.715 -8.489 3.431 213 HB ILE 77 HB ILE 77 32.774 -10.002 4.998 214 1HG1 ILE 77 1HG1 ILE 77 33.184 -7.764 5.810 215 2HG1 ILE 77 2HG1 ILE 77 34.353 -8.060 4.521 216 1HG2 ILE 77 1HG2 ILE 77 32.243 -9.142 2.202 217 2HG2 ILE 77 2HG2 ILE 77 33.934 -9.198 2.703 218 3HG2 ILE 77 3HG2 ILE 77 32.934 -10.648 2.805 219 1HD1 ILE 77 1HD1 ILE 77 31.703 -6.767 3.900 220 2HD1 ILE 77 2HD1 ILE 77 33.040 -5.808 4.527 221 3HD1 ILE 77 3HD1 ILE 77 33.219 -6.675 3.003 222 HA PRO 78 HA PRO 78 29.830 -12.776 5.353 223 1HB PRO 78 1HB PRO 78 29.564 -12.903 8.085 224 2HB PRO 78 2HB PRO 78 31.099 -13.156 7.232 225 1HG PRO 78 1HG PRO 78 30.206 -10.806 8.828 226 2HG PRO 78 2HG PRO 78 31.848 -11.365 8.476 227 1HD PRO 78 1HD PRO 78 30.500 -9.215 7.210 228 2HD PRO 78 2HD PRO 78 32.027 -9.951 6.683 229 HA PRO 79 HA PRO 79 25.569 -11.336 5.647 230 1HB PRO 79 1HB PRO 79 24.517 -13.488 4.296 231 2HB PRO 79 2HB PRO 79 25.250 -12.087 3.491 232 1HG PRO 79 1HG PRO 79 26.358 -14.832 3.861 233 2HG PRO 79 2HG PRO 79 26.706 -13.643 2.594 234 1HD PRO 79 1HD PRO 79 28.348 -14.212 4.826 235 2HD PRO 79 2HD PRO 79 28.503 -12.808 3.747 236 H HIS 80 H HIS 80 26.798 -14.534 6.493 237 HA HIS 80 HA HIS 80 24.470 -14.954 8.304 238 1HB HIS 80 1HB HIS 80 25.132 -17.269 8.394 239 2HB HIS 80 2HB HIS 80 25.192 -16.780 6.701 240 HD1 HIS 80 HD1 HIS 80 27.417 -16.962 5.524 241 HD2 HIS 80 HD2 HIS 80 27.791 -17.337 9.660 242 HE1 HIS 80 HE1 HIS 80 29.820 -17.625 5.969 Start of MODEL 7 1 H VAL 49 H VAL 49 53.479 -3.999 6.430 2 HA VAL 49 HA VAL 49 52.745 -3.675 3.595 3 HB VAL 49 HB VAL 49 54.069 -6.267 4.013 4 1HG1 VAL 49 1HG1 VAL 49 53.193 -5.292 1.854 5 2HG1 VAL 49 2HG1 VAL 49 54.498 -4.108 1.932 6 3HG1 VAL 49 3HG1 VAL 49 54.874 -5.825 1.784 7 1HG2 VAL 49 1HG2 VAL 49 55.591 -4.823 5.342 8 2HG2 VAL 49 2HG2 VAL 49 56.360 -5.373 3.853 9 3HG2 VAL 49 3HG2 VAL 49 55.735 -3.727 3.966 10 HA PRO 50 HA PRO 50 49.909 -6.365 6.109 11 1HB PRO 50 1HB PRO 50 47.885 -4.511 6.414 12 2HB PRO 50 2HB PRO 50 49.171 -4.783 7.593 13 1HG PRO 50 1HG PRO 50 48.800 -2.463 5.803 14 2HG PRO 50 2HG PRO 50 49.792 -2.609 7.252 15 1HD PRO 50 1HD PRO 50 50.676 -2.721 4.517 16 2HD PRO 50 2HD PRO 50 51.648 -2.909 5.988 17 H GLY 51 H GLY 51 47.550 -6.945 5.322 18 1HA GLY 51 1HA GLY 51 47.195 -6.110 2.481 19 2HA GLY 51 2HA GLY 51 47.339 -7.825 2.844 20 H LEU 52 H LEU 52 45.360 -8.419 2.167 21 HA LEU 52 HA LEU 52 42.961 -7.967 1.841 22 1HB LEU 52 1HB LEU 52 43.484 -10.207 2.659 23 2HB LEU 52 2HB LEU 52 43.454 -9.613 4.327 24 HG LEU 52 HG LEU 52 41.083 -9.043 2.611 25 1HD1 LEU 52 1HD1 LEU 52 42.046 -11.734 3.251 26 2HD1 LEU 52 2HD1 LEU 52 40.420 -11.425 3.857 27 3HD1 LEU 52 3HD1 LEU 52 40.771 -11.236 2.139 28 1HD2 LEU 52 1HD2 LEU 52 41.813 -9.088 5.418 29 2HD2 LEU 52 2HD2 LEU 52 40.466 -8.283 4.613 30 3HD2 LEU 52 3HD2 LEU 52 40.320 -9.967 5.108 31 H CYS 53 H CYS 53 43.437 -7.989 5.257 32 HA CYS 53 HA CYS 53 42.925 -5.568 6.249 33 1HB CYS 53 1HB CYS 53 41.024 -5.268 4.754 34 2HB CYS 53 2HB CYS 53 40.233 -6.687 5.420 35 HA PRO 54 HA PRO 54 42.772 -8.260 9.756 36 1HB PRO 54 1HB PRO 54 43.044 -6.284 11.644 37 2HB PRO 54 2HB PRO 54 44.394 -6.903 10.677 38 1HG PRO 54 1HG PRO 54 42.953 -4.307 10.438 39 2HG PRO 54 2HG PRO 54 44.606 -4.723 9.951 40 1HD PRO 54 1HD PRO 54 42.356 -4.503 8.232 41 2HD PRO 54 2HD PRO 54 43.943 -5.182 7.809 42 H ARG 55 H ARG 55 40.276 -6.578 8.629 43 HA ARG 55 HA ARG 55 38.609 -7.130 11.031 44 1HB ARG 55 1HB ARG 55 39.020 -4.691 10.913 45 2HB ARG 55 2HB ARG 55 38.381 -4.671 9.269 46 1HG ARG 55 1HG ARG 55 36.235 -4.759 9.981 47 2HG ARG 55 2HG ARG 55 36.597 -5.989 11.192 48 1HD ARG 55 1HD ARG 55 37.742 -4.074 12.507 49 2HD ARG 55 2HD ARG 55 36.858 -2.992 11.430 50 HE ARG 55 HE ARG 55 35.106 -4.973 12.618 51 1HH1 ARG 55 1HH1 ARG 55 34.674 -1.955 12.131 52 2HH1 ARG 55 2HH1 ARG 55 34.501 -1.396 13.762 53 1HH2 ARG 55 1HH2 ARG 55 35.803 -4.284 15.169 54 2HH2 ARG 55 2HH2 ARG 55 35.141 -2.715 15.482 55 H CYS 56 H CYS 56 38.176 -6.018 7.630 56 HA CYS 56 HA CYS 56 35.897 -7.872 7.415 57 1HB CYS 56 1HB CYS 56 35.314 -6.711 5.400 58 2HB CYS 56 2HB CYS 56 35.861 -5.459 6.510 59 H LYS 57 H LYS 57 36.401 -8.149 4.532 60 HA LYS 57 HA LYS 57 38.826 -9.545 4.126 61 1HB LYS 57 1HB LYS 57 37.766 -11.782 3.689 62 2HB LYS 57 2HB LYS 57 37.763 -11.316 5.393 63 1HG LYS 57 1HG LYS 57 35.517 -11.460 5.432 64 2HG LYS 57 2HG LYS 57 35.413 -10.235 4.167 65 1HD LYS 57 1HD LYS 57 34.802 -11.792 2.662 66 2HD LYS 57 2HD LYS 57 36.255 -12.732 3.005 67 1HE LYS 57 1HE LYS 57 35.127 -13.755 4.953 68 2HE LYS 57 2HE LYS 57 33.670 -12.832 4.588 69 1HZ LYS 57 1HZ LYS 57 33.715 -13.904 2.351 70 2HZ LYS 57 2HZ LYS 57 34.947 -14.925 2.923 71 3HZ LYS 57 3HZ LYS 57 33.406 -14.965 3.638 72 H ARG 58 H ARG 58 37.017 -7.478 2.997 73 HA ARG 58 HA ARG 58 36.651 -8.679 0.287 74 1HB ARG 58 1HB ARG 58 34.610 -7.785 1.717 75 2HB ARG 58 2HB ARG 58 35.194 -6.209 1.182 76 1HG ARG 58 1HG ARG 58 35.114 -7.037 -1.181 77 2HG ARG 58 2HG ARG 58 34.390 -8.534 -0.592 78 1HD ARG 58 1HD ARG 58 32.760 -6.743 0.612 79 2HD ARG 58 2HD ARG 58 33.201 -5.821 -0.824 80 HE ARG 58 HE ARG 58 31.454 -8.125 -0.771 81 1HH1 ARG 58 1HH1 ARG 58 33.062 -5.832 -2.669 82 2HH1 ARG 58 2HH1 ARG 58 32.880 -6.696 -4.157 83 1HH2 ARG 58 1HH2 ARG 58 31.575 -9.538 -2.666 84 2HH2 ARG 58 2HH2 ARG 58 32.038 -8.789 -4.157 85 H GLY 59 H GLY 59 38.946 -7.185 1.749 86 1HA GLY 59 1HA GLY 59 39.604 -5.504 -0.573 87 2HA GLY 59 2HA GLY 59 39.371 -4.604 0.927 88 H LYS 60 H LYS 60 41.691 -4.105 0.529 89 HA LYS 60 HA LYS 60 43.436 -6.032 1.947 90 1HB LYS 60 1HB LYS 60 45.014 -4.660 0.020 91 2HB LYS 60 2HB LYS 60 44.678 -6.383 0.116 92 1HG LYS 60 1HG LYS 60 43.946 -5.795 -2.044 93 2HG LYS 60 2HG LYS 60 42.466 -5.847 -1.088 94 1HD LYS 60 1HD LYS 60 42.889 -3.320 -0.677 95 2HD LYS 60 2HD LYS 60 44.000 -3.431 -2.043 96 1HE LYS 60 1HE LYS 60 42.033 -4.564 -3.292 97 2HE LYS 60 2HE LYS 60 41.021 -3.908 -2.004 98 1HZ LYS 60 1HZ LYS 60 42.629 -1.828 -2.765 99 2HZ LYS 60 2HZ LYS 60 42.204 -2.576 -4.227 100 3HZ LYS 60 3HZ LYS 60 40.991 -2.037 -3.167 101 H HIS 61 H HIS 61 43.361 -4.677 3.804 102 HA HIS 61 HA HIS 61 45.111 -2.376 3.773 103 1HB HIS 61 1HB HIS 61 43.228 -0.761 4.365 104 2HB HIS 61 2HB HIS 61 43.409 -1.169 2.646 105 HD1 HIS 61 HD1 HIS 61 41.296 -2.010 1.541 106 HD2 HIS 61 HD2 HIS 61 41.256 -2.682 5.658 107 HE1 HIS 61 HE1 HIS 61 39.084 -3.147 2.066 108 H TRP 62 H TRP 62 44.337 -0.874 5.768 109 HA TRP 62 HA TRP 62 44.196 -2.777 8.033 110 1HB TRP 62 1HB TRP 62 44.962 -0.058 8.716 111 2HB TRP 62 2HB TRP 62 45.856 -1.558 8.900 112 HD1 TRP 62 HD1 TRP 62 46.504 1.540 7.455 113 HE1 TRP 62 HE1 TRP 62 47.960 1.425 5.326 114 HE3 TRP 62 HE3 TRP 62 45.976 -3.382 6.320 115 HZ2 TRP 62 HZ2 TRP 62 48.762 -0.527 3.368 116 HZ3 TRP 62 HZ3 TRP 62 47.017 -4.331 4.311 117 HH2 TRP 62 HH2 TRP 62 48.439 -2.934 2.847 118 H ALA 63 H ALA 63 43.175 -1.807 10.060 119 HA ALA 63 HA ALA 63 40.443 -1.328 9.704 120 1HB ALA 63 1HB ALA 63 42.275 -0.511 11.973 121 2HB ALA 63 2HB ALA 63 40.519 -0.373 12.049 122 3HB ALA 63 3HB ALA 63 41.272 -1.957 11.875 123 H ASN 64 H ASN 64 42.671 1.231 10.857 124 HA ASN 64 HA ASN 64 41.069 3.444 10.516 125 1HB ASN 64 1HB ASN 64 43.980 3.290 9.671 126 2HB ASN 64 2HB ASN 64 43.097 4.761 10.094 127 1HD2 ASN 64 1HD2 ASN 64 41.610 3.329 12.306 128 2HD2 ASN 64 2HD2 ASN 64 42.740 3.158 13.561 129 H GLU 65 H GLU 65 42.847 1.754 7.946 130 HA GLU 65 HA GLU 65 41.363 3.419 5.956 131 1HB GLU 65 1HB GLU 65 43.806 3.566 5.736 132 2HB GLU 65 2HB GLU 65 43.914 1.805 5.642 133 1HG GLU 65 1HG GLU 65 43.389 1.809 3.450 134 2HG GLU 65 2HG GLU 65 41.995 2.856 3.723 135 H CYS 66 H CYS 66 39.748 1.558 6.960 136 HA CYS 66 HA CYS 66 39.846 -0.651 4.953 137 1HB CYS 66 1HB CYS 66 40.195 -1.839 6.922 138 2HB CYS 66 2HB CYS 66 39.254 -0.713 7.892 139 H LYS 67 H LYS 67 38.114 -0.824 3.688 140 HA LYS 67 HA LYS 67 35.482 0.129 4.603 141 1HB LYS 67 1HB LYS 67 37.039 1.334 2.320 142 2HB LYS 67 2HB LYS 67 35.282 1.235 2.211 143 1HG LYS 67 1HG LYS 67 35.211 2.347 4.512 144 2HG LYS 67 2HG LYS 67 36.930 2.678 4.298 145 1HD LYS 67 1HD LYS 67 36.389 4.507 3.106 146 2HD LYS 67 2HD LYS 67 35.661 3.459 1.890 147 1HE LYS 67 1HE LYS 67 34.012 5.094 2.678 148 2HE LYS 67 2HE LYS 67 33.538 3.470 3.177 149 1HZ LYS 67 1HZ LYS 67 35.055 5.355 4.895 150 2HZ LYS 67 2HZ LYS 67 33.368 5.166 4.954 151 3HZ LYS 67 3HZ LYS 67 34.385 3.865 5.353 152 H SER 68 H SER 68 33.883 -1.105 3.788 153 HA SER 68 HA SER 68 34.547 -2.972 1.575 154 1HB SER 68 1HB SER 68 34.527 -3.545 4.367 155 2HB SER 68 2HB SER 68 33.173 -4.414 3.627 156 HG SER 68 HG SER 68 35.102 -5.624 3.508 157 H LYS 69 H LYS 69 32.962 -2.329 0.175 158 HA LYS 69 HA LYS 69 30.328 -1.488 1.042 159 1HB LYS 69 1HB LYS 69 31.153 -2.343 -1.743 160 2HB LYS 69 2HB LYS 69 29.837 -1.252 -1.298 161 1HG LYS 69 1HG LYS 69 31.288 0.490 -0.743 162 2HG LYS 69 2HG LYS 69 32.646 -0.597 -0.459 163 1HD LYS 69 1HD LYS 69 33.253 0.269 -2.519 164 2HD LYS 69 2HD LYS 69 32.318 -1.132 -3.040 165 1HE LYS 69 1HE LYS 69 30.411 0.180 -3.534 166 2HE LYS 69 2HE LYS 69 31.013 1.554 -2.607 167 1HZ LYS 69 1HZ LYS 69 32.973 1.188 -4.403 168 2HZ LYS 69 2HZ LYS 69 31.613 0.750 -5.316 169 3HZ LYS 69 3HZ LYS 69 31.690 2.286 -4.594 170 H THR 70 H THR 70 29.670 -3.356 2.303 171 HA THR 70 HA THR 70 28.853 -5.677 0.604 172 HB THR 70 HB THR 70 30.198 -5.530 3.227 173 HG1 THR 70 HG1 THR 70 30.365 -7.885 2.408 174 1HG2 THR 70 1HG2 THR 70 27.899 -7.473 2.855 175 2HG2 THR 70 2HG2 THR 70 29.083 -7.512 4.157 176 3HG2 THR 70 3HG2 THR 70 27.956 -6.165 4.036 177 H ASP 71 H ASP 71 27.975 -3.624 3.379 178 HA ASP 71 HA ASP 71 25.132 -4.000 2.591 179 1HB ASP 71 1HB ASP 71 26.256 -4.434 5.365 180 2HB ASP 71 2HB ASP 71 24.543 -4.157 5.058 181 H ASN 72 H ASN 72 25.700 -2.485 5.637 182 HA ASN 72 HA ASN 72 25.903 0.196 4.380 183 1HB ASN 72 1HB ASN 72 24.029 0.857 6.102 184 2HB ASN 72 2HB ASN 72 23.579 0.137 4.558 185 1HD2 ASN 72 1HD2 ASN 72 24.807 -1.310 7.611 186 2HD2 ASN 72 2HD2 ASN 72 23.542 -2.431 7.765 187 H GLN 73 H GLN 73 27.900 -1.164 5.815 188 HA GLN 73 HA GLN 73 28.142 0.632 8.170 189 1HB GLN 73 1HB GLN 73 27.293 -1.816 8.705 190 2HB GLN 73 2HB GLN 73 28.990 -2.236 8.463 191 1HG GLN 73 1HG GLN 73 29.542 -1.396 10.478 192 2HG GLN 73 2HG GLN 73 28.772 0.145 10.094 193 1HE2 GLN 73 1HE2 GLN 73 26.077 -0.716 9.778 194 2HE2 GLN 73 2HE2 GLN 73 25.506 -1.284 11.282 195 H GLY 74 H GLY 74 30.576 -1.292 8.751 196 1HA GLY 74 1HA GLY 74 32.331 -0.118 6.630 197 2HA GLY 74 2HA GLY 74 32.843 -0.299 8.314 198 H ASN 75 H ASN 75 31.535 -2.887 8.633 199 HA ASN 75 HA ASN 75 32.925 -4.641 6.709 200 1HB ASN 75 1HB ASN 75 33.556 -5.938 8.897 201 2HB ASN 75 2HB ASN 75 34.641 -4.723 8.236 202 1HD2 ASN 75 1HD2 ASN 75 31.571 -4.160 9.979 203 2HD2 ASN 75 2HD2 ASN 75 32.273 -3.309 11.281 204 HA PRO 76 HA PRO 76 28.828 -6.213 8.192 205 1HB PRO 76 1HB PRO 76 27.514 -5.805 5.825 206 2HB PRO 76 2HB PRO 76 27.647 -4.546 7.069 207 1HG PRO 76 1HG PRO 76 29.000 -4.703 4.438 208 2HG PRO 76 2HG PRO 76 28.759 -3.296 5.485 209 1HD PRO 76 1HD PRO 76 31.150 -4.928 5.206 210 2HD PRO 76 2HD PRO 76 30.922 -3.499 6.236 211 H ILE 77 H ILE 77 31.332 -7.187 6.617 212 HA ILE 77 HA ILE 77 30.598 -8.823 4.506 213 HB ILE 77 HB ILE 77 32.634 -9.892 6.418 214 1HG1 ILE 77 1HG1 ILE 77 33.131 -7.560 6.628 215 2HG1 ILE 77 2HG1 ILE 77 34.252 -8.189 5.421 216 1HG2 ILE 77 1HG2 ILE 77 31.927 -10.163 3.662 217 2HG2 ILE 77 2HG2 ILE 77 33.545 -9.468 3.745 218 3HG2 ILE 77 3HG2 ILE 77 33.201 -11.000 4.549 219 1HD1 ILE 77 1HD1 ILE 77 31.644 -7.112 4.434 220 2HD1 ILE 77 2HD1 ILE 77 32.833 -5.950 5.013 221 3HD1 ILE 77 3HD1 ILE 77 33.240 -7.044 3.692 222 HA PRO 78 HA PRO 78 28.044 -11.706 6.820 223 1HB PRO 78 1HB PRO 78 27.015 -12.946 4.593 224 2HB PRO 78 2HB PRO 78 26.418 -11.394 5.212 225 1HG PRO 78 1HG PRO 78 28.114 -11.933 2.820 226 2HG PRO 78 2HG PRO 78 27.006 -10.587 3.129 227 1HD PRO 78 1HD PRO 78 29.828 -10.501 3.351 228 2HD PRO 78 2HD PRO 78 28.689 -9.281 3.957 229 HA PRO 79 HA PRO 79 30.332 -15.482 6.624 230 1HB PRO 79 1HB PRO 79 28.365 -17.339 7.102 231 2HB PRO 79 2HB PRO 79 29.016 -16.263 8.355 232 1HG PRO 79 1HG PRO 79 26.391 -16.131 6.943 233 2HG PRO 79 2HG PRO 79 26.833 -15.532 8.551 234 1HD PRO 79 1HD PRO 79 26.566 -13.960 6.212 235 2HD PRO 79 2HD PRO 79 27.320 -13.445 7.737 236 H HIS 80 H HIS 80 27.218 -16.521 5.263 237 HA HIS 80 HA HIS 80 28.689 -17.486 2.847 238 1HB HIS 80 1HB HIS 80 26.562 -18.965 2.633 239 2HB HIS 80 2HB HIS 80 27.746 -19.390 3.870 240 HD1 HIS 80 HD1 HIS 80 24.306 -17.970 3.423 241 HD2 HIS 80 HD2 HIS 80 26.907 -18.874 6.552 242 HE1 HIS 80 HE1 HIS 80 22.945 -17.815 5.554 Start of MODEL 8 1 H VAL 49 H VAL 49 53.681 -4.694 6.999 2 HA VAL 49 HA VAL 49 52.983 -4.897 4.105 3 HB VAL 49 HB VAL 49 54.173 -7.289 5.425 4 1HG1 VAL 49 1HG1 VAL 49 53.735 -6.154 2.746 5 2HG1 VAL 49 2HG1 VAL 49 55.324 -6.886 2.954 6 3HG1 VAL 49 3HG1 VAL 49 53.870 -7.841 3.245 7 1HG2 VAL 49 1HG2 VAL 49 55.644 -4.732 4.830 8 2HG2 VAL 49 2HG2 VAL 49 55.860 -5.851 6.177 9 3HG2 VAL 49 3HG2 VAL 49 56.452 -6.279 4.571 10 HA PRO 50 HA PRO 50 49.791 -6.937 6.897 11 1HB PRO 50 1HB PRO 50 47.898 -4.908 6.896 12 2HB PRO 50 2HB PRO 50 49.087 -5.175 8.179 13 1HG PRO 50 1HG PRO 50 49.028 -3.016 6.162 14 2HG PRO 50 2HG PRO 50 49.898 -3.099 7.687 15 1HD PRO 50 1HD PRO 50 50.984 -3.504 5.071 16 2HD PRO 50 2HD PRO 50 51.792 -3.695 6.637 17 H GLY 51 H GLY 51 47.472 -7.511 6.057 18 1HA GLY 51 1HA GLY 51 47.329 -7.022 3.108 19 2HA GLY 51 2HA GLY 51 47.207 -8.659 3.742 20 H LEU 52 H LEU 52 45.180 -9.149 3.125 21 HA LEU 52 HA LEU 52 42.890 -8.414 2.536 22 1HB LEU 52 1HB LEU 52 42.998 -10.537 3.705 23 2HB LEU 52 2HB LEU 52 43.109 -9.717 5.262 24 HG LEU 52 HG LEU 52 40.777 -10.624 4.427 25 1HD1 LEU 52 1HD1 LEU 52 41.464 -8.989 6.368 26 2HD1 LEU 52 2HD1 LEU 52 40.585 -7.837 5.368 27 3HD1 LEU 52 3HD1 LEU 52 39.777 -9.288 5.955 28 1HD2 LEU 52 1HD2 LEU 52 41.268 -9.077 2.295 29 2HD2 LEU 52 2HD2 LEU 52 39.651 -9.449 2.857 30 3HD2 LEU 52 3HD2 LEU 52 40.401 -7.920 3.306 31 H CYS 53 H CYS 53 43.049 -7.996 5.922 32 HA CYS 53 HA CYS 53 42.972 -5.408 6.545 33 1HB CYS 53 1HB CYS 53 41.402 -4.873 4.815 34 2HB CYS 53 2HB CYS 53 40.257 -6.082 5.373 35 HA PRO 54 HA PRO 54 41.855 -7.457 10.298 36 1HB PRO 54 1HB PRO 54 42.378 -5.324 11.949 37 2HB PRO 54 2HB PRO 54 43.636 -6.367 11.266 38 1HG PRO 54 1HG PRO 54 42.886 -3.586 10.504 39 2HG PRO 54 2HG PRO 54 44.438 -4.424 10.313 40 1HD PRO 54 1HD PRO 54 42.515 -3.980 8.274 41 2HD PRO 54 2HD PRO 54 43.922 -5.059 8.175 42 H ARG 55 H ARG 55 39.866 -5.664 8.636 43 HA ARG 55 HA ARG 55 37.936 -5.341 10.874 44 1HB ARG 55 1HB ARG 55 38.979 -3.126 10.011 45 2HB ARG 55 2HB ARG 55 38.016 -3.405 8.559 46 1HG ARG 55 1HG ARG 55 36.230 -3.881 10.644 47 2HG ARG 55 2HG ARG 55 37.161 -2.489 11.197 48 1HD ARG 55 1HD ARG 55 36.231 -2.474 8.363 49 2HD ARG 55 2HD ARG 55 35.017 -2.213 9.614 50 HE ARG 55 HE ARG 55 37.251 -0.399 8.965 51 1HH1 ARG 55 1HH1 ARG 55 37.094 -0.665 11.943 52 2HH1 ARG 55 2HH1 ARG 55 35.951 0.568 12.361 53 1HH2 ARG 55 1HH2 ARG 55 34.734 0.908 9.131 54 2HH2 ARG 55 2HH2 ARG 55 34.615 1.459 10.769 55 H CYS 56 H CYS 56 38.255 -5.351 7.297 56 HA CYS 56 HA CYS 56 35.679 -6.844 7.226 57 1HB CYS 56 1HB CYS 56 35.307 -5.969 5.011 58 2HB CYS 56 2HB CYS 56 35.803 -4.607 6.012 59 H LYS 57 H LYS 57 36.426 -7.473 4.362 60 HA LYS 57 HA LYS 57 38.678 -9.166 4.405 61 1HB LYS 57 1HB LYS 57 37.246 -11.256 3.909 62 2HB LYS 57 2HB LYS 57 37.359 -10.741 5.593 63 1HG LYS 57 1HG LYS 57 35.220 -9.275 4.810 64 2HG LYS 57 2HG LYS 57 35.039 -10.667 3.742 65 1HD LYS 57 1HD LYS 57 34.044 -11.687 5.501 66 2HD LYS 57 2HD LYS 57 35.670 -11.840 6.167 67 1HE LYS 57 1HE LYS 57 35.241 -9.397 7.037 68 2HE LYS 57 2HE LYS 57 33.543 -9.820 6.815 69 1HZ LYS 57 1HZ LYS 57 34.902 -11.939 8.087 70 2HZ LYS 57 2HZ LYS 57 35.189 -10.501 8.939 71 3HZ LYS 57 3HZ LYS 57 33.594 -11.017 8.658 72 H ARG 58 H ARG 58 37.265 -6.999 2.847 73 HA ARG 58 HA ARG 58 37.207 -8.385 0.201 74 1HB ARG 58 1HB ARG 58 35.079 -7.074 1.372 75 2HB ARG 58 2HB ARG 58 35.793 -5.807 0.376 76 1HG ARG 58 1HG ARG 58 35.126 -8.580 -0.645 77 2HG ARG 58 2HG ARG 58 34.067 -7.182 -0.830 78 1HD ARG 58 1HD ARG 58 35.380 -6.232 -2.436 79 2HD ARG 58 2HD ARG 58 36.876 -6.760 -1.665 80 HE ARG 58 HE ARG 58 36.728 -8.826 -2.867 81 1HH1 ARG 58 1HH1 ARG 58 33.668 -8.991 -2.556 82 2HH1 ARG 58 2HH1 ARG 58 33.176 -8.902 -4.214 83 1HH2 ARG 58 1HH2 ARG 58 36.247 -7.755 -5.342 84 2HH2 ARG 58 2HH2 ARG 58 34.634 -8.200 -5.790 85 H GLY 59 H GLY 59 39.606 -7.767 0.685 86 1HA GLY 59 1HA GLY 59 40.773 -6.103 -1.046 87 2HA GLY 59 2HA GLY 59 40.203 -4.921 0.134 88 H LYS 60 H LYS 60 42.831 -4.870 0.055 89 HA LYS 60 HA LYS 60 43.733 -6.504 2.392 90 1HB LYS 60 1HB LYS 60 45.952 -5.667 0.762 91 2HB LYS 60 2HB LYS 60 45.442 -7.299 1.178 92 1HG LYS 60 1HG LYS 60 45.360 -7.285 -1.172 93 2HG LYS 60 2HG LYS 60 43.683 -7.029 -0.691 94 1HD LYS 60 1HD LYS 60 44.660 -4.456 -0.741 95 2HD LYS 60 2HD LYS 60 45.533 -5.207 -2.078 96 1HE LYS 60 1HE LYS 60 42.526 -5.326 -1.701 97 2HE LYS 60 2HE LYS 60 43.358 -4.231 -2.803 98 1HZ LYS 60 1HZ LYS 60 44.368 -6.259 -3.823 99 2HZ LYS 60 2HZ LYS 60 43.294 -7.193 -2.894 100 3HZ LYS 60 3HZ LYS 60 42.696 -6.104 -4.053 101 H HIS 61 H HIS 61 43.725 -4.934 4.022 102 HA HIS 61 HA HIS 61 45.597 -2.761 3.868 103 1HB HIS 61 1HB HIS 61 43.809 -0.962 3.946 104 2HB HIS 61 2HB HIS 61 44.168 -1.652 2.353 105 HD1 HIS 61 HD1 HIS 61 42.298 -2.951 1.182 106 HD2 HIS 61 HD2 HIS 61 41.374 -2.093 5.157 107 HE1 HIS 61 HE1 HIS 61 39.900 -3.703 1.539 108 H TRP 62 H TRP 62 44.762 -0.926 5.475 109 HA TRP 62 HA TRP 62 44.026 -2.394 7.950 110 1HB TRP 62 1HB TRP 62 45.308 0.121 8.472 111 2HB TRP 62 2HB TRP 62 45.894 -1.505 8.783 112 HD1 TRP 62 HD1 TRP 62 47.009 1.399 7.094 113 HE1 TRP 62 HE1 TRP 62 48.622 0.879 5.147 114 HE3 TRP 62 HE3 TRP 62 46.081 -3.566 6.515 115 HZ2 TRP 62 HZ2 TRP 62 49.389 -1.379 3.528 116 HZ3 TRP 62 HZ3 TRP 62 47.194 -4.858 4.749 117 HH2 TRP 62 HH2 TRP 62 48.878 -3.796 3.275 118 H ALA 63 H ALA 63 43.027 -0.907 9.650 119 HA ALA 63 HA ALA 63 40.533 0.039 8.866 120 1HB ALA 63 1HB ALA 63 42.225 0.292 11.234 121 2HB ALA 63 2HB ALA 63 41.176 1.690 11.004 122 3HB ALA 63 3HB ALA 63 40.478 0.076 11.122 123 H ASN 64 H ASN 64 43.208 2.263 9.742 124 HA ASN 64 HA ASN 64 42.179 4.664 8.908 125 1HB ASN 64 1HB ASN 64 44.800 3.619 9.313 126 2HB ASN 64 2HB ASN 64 44.823 4.541 7.805 127 1HD2 ASN 64 1HD2 ASN 64 45.520 5.018 10.940 128 2HD2 ASN 64 2HD2 ASN 64 44.992 6.617 11.148 129 H GLU 65 H GLU 65 43.250 2.048 6.818 130 HA GLU 65 HA GLU 65 42.167 3.589 4.496 131 1HB GLU 65 1HB GLU 65 44.552 3.512 4.177 132 2HB GLU 65 2HB GLU 65 44.614 1.803 4.624 133 1HG GLU 65 1HG GLU 65 43.750 1.097 2.596 134 2HG GLU 65 2HG GLU 65 42.861 2.599 2.332 135 H CYS 66 H CYS 66 40.244 2.246 5.503 136 HA CYS 66 HA CYS 66 40.196 -0.366 4.056 137 1HB CYS 66 1HB CYS 66 40.401 -1.044 6.320 138 2HB CYS 66 2HB CYS 66 39.326 0.233 6.885 139 H LYS 67 H LYS 67 38.106 -1.050 3.378 140 HA LYS 67 HA LYS 67 35.778 0.659 3.689 141 1HB LYS 67 1HB LYS 67 37.350 0.636 1.107 142 2HB LYS 67 2HB LYS 67 35.605 0.894 1.094 143 1HG LYS 67 1HG LYS 67 36.075 2.694 2.906 144 2HG LYS 67 2HG LYS 67 37.746 2.601 2.351 145 1HD LYS 67 1HD LYS 67 35.315 3.285 0.674 146 2HD LYS 67 2HD LYS 67 36.634 4.370 1.117 147 1HE LYS 67 1HE LYS 67 37.602 3.757 -0.833 148 2HE LYS 67 2HE LYS 67 37.943 2.214 -0.047 149 1HZ LYS 67 1HZ LYS 67 35.589 1.598 -0.772 150 2HZ LYS 67 2HZ LYS 67 35.700 2.916 -1.834 151 3HZ LYS 67 3HZ LYS 67 36.801 1.627 -1.962 152 H SER 68 H SER 68 33.890 -0.405 2.928 153 HA SER 68 HA SER 68 34.187 -3.024 1.648 154 1HB SER 68 1HB SER 68 34.230 -2.667 4.496 155 2HB SER 68 2HB SER 68 32.775 -3.578 4.053 156 HG SER 68 HG SER 68 35.483 -4.152 3.402 157 H LYS 69 H LYS 69 32.784 -1.050 0.534 158 HA LYS 69 HA LYS 69 30.143 -0.533 1.361 159 1HB LYS 69 1HB LYS 69 29.665 -0.349 -1.155 160 2HB LYS 69 2HB LYS 69 30.959 0.675 -0.529 161 1HG LYS 69 1HG LYS 69 32.038 -1.898 -1.243 162 2HG LYS 69 2HG LYS 69 31.135 -1.241 -2.608 163 1HD LYS 69 1HD LYS 69 33.108 0.442 -1.060 164 2HD LYS 69 2HD LYS 69 33.612 -0.563 -2.420 165 1HE LYS 69 1HE LYS 69 31.969 0.580 -3.871 166 2HE LYS 69 2HE LYS 69 31.486 1.598 -2.514 167 1HZ LYS 69 1HZ LYS 69 33.751 2.431 -2.381 168 2HZ LYS 69 2HZ LYS 69 34.208 1.459 -3.697 169 3HZ LYS 69 3HZ LYS 69 33.095 2.718 -3.921 170 H THR 70 H THR 70 29.287 -2.450 2.303 171 HA THR 70 HA THR 70 28.324 -4.427 0.295 172 HB THR 70 HB THR 70 29.749 -4.981 2.907 173 HG1 THR 70 HG1 THR 70 30.556 -4.949 0.513 174 1HG2 THR 70 1HG2 THR 70 27.561 -6.490 1.615 175 2HG2 THR 70 2HG2 THR 70 28.986 -7.443 2.027 176 3HG2 THR 70 3HG2 THR 70 28.142 -6.538 3.276 177 H ASP 71 H ASP 71 28.025 -3.118 3.589 178 HA ASP 71 HA ASP 71 25.084 -3.186 3.282 179 1HB ASP 71 1HB ASP 71 26.100 -5.319 4.499 180 2HB ASP 71 2HB ASP 71 26.167 -4.219 5.876 181 H ASN 72 H ASN 72 24.863 -2.656 6.242 182 HA ASN 72 HA ASN 72 26.104 0.068 6.264 183 1HB ASN 72 1HB ASN 72 23.560 -0.055 5.830 184 2HB ASN 72 2HB ASN 72 23.430 -0.549 7.522 185 1HD2 ASN 72 1HD2 ASN 72 23.141 1.175 8.931 186 2HD2 ASN 72 2HD2 ASN 72 23.683 2.761 8.662 187 H GLN 73 H GLN 73 27.159 -2.350 7.482 188 HA GLN 73 HA GLN 73 26.848 -1.656 10.364 189 1HB GLN 73 1HB GLN 73 27.528 -4.310 9.060 190 2HB GLN 73 2HB GLN 73 27.447 -4.015 10.793 191 1HG GLN 73 1HG GLN 73 25.190 -3.915 8.792 192 2HG GLN 73 2HG GLN 73 25.334 -4.956 10.207 193 1HE2 GLN 73 1HE2 GLN 73 23.380 -2.640 9.327 194 2HE2 GLN 73 2HE2 GLN 73 23.268 -1.695 10.742 195 H GLY 74 H GLY 74 29.287 -3.912 9.920 196 1HA GLY 74 1HA GLY 74 31.347 -1.755 9.697 197 2HA GLY 74 2HA GLY 74 31.524 -3.139 10.787 198 H ASN 75 H ASN 75 30.919 -5.290 9.392 199 HA ASN 75 HA ASN 75 32.258 -5.170 6.759 200 1HB ASN 75 1HB ASN 75 33.376 -7.377 7.610 201 2HB ASN 75 2HB ASN 75 34.145 -5.825 7.914 202 1HD2 ASN 75 1HD2 ASN 75 31.252 -7.093 9.583 203 2HD2 ASN 75 2HD2 ASN 75 31.972 -7.175 11.124 204 HA PRO 76 HA PRO 76 28.699 -8.044 6.744 205 1HB PRO 76 1HB PRO 76 27.310 -6.687 4.817 206 2HB PRO 76 2HB PRO 76 27.217 -6.253 6.531 207 1HG PRO 76 1HG PRO 76 28.531 -4.774 4.333 208 2HG PRO 76 2HG PRO 76 28.075 -4.202 5.946 209 1HD PRO 76 1HD PRO 76 30.712 -5.074 5.019 210 2HD PRO 76 2HD PRO 76 30.282 -4.392 6.603 211 H ILE 77 H ILE 77 31.353 -7.731 5.264 212 HA ILE 77 HA ILE 77 31.137 -8.060 2.531 213 HB ILE 77 HB ILE 77 33.116 -9.761 4.012 214 1HG1 ILE 77 1HG1 ILE 77 33.156 -7.759 5.358 215 2HG1 ILE 77 2HG1 ILE 77 34.514 -7.641 4.238 216 1HG2 ILE 77 1HG2 ILE 77 33.012 -9.561 1.497 217 2HG2 ILE 77 2HG2 ILE 77 33.421 -7.855 1.680 218 3HG2 ILE 77 3HG2 ILE 77 34.560 -9.097 2.204 219 1HD1 ILE 77 1HD1 ILE 77 31.818 -6.431 3.609 220 2HD1 ILE 77 2HD1 ILE 77 33.054 -5.548 4.503 221 3HD1 ILE 77 3HD1 ILE 77 33.373 -6.083 2.855 222 HA PRO 78 HA PRO 78 30.486 -12.756 3.144 223 1HB PRO 78 1HB PRO 78 29.832 -13.623 5.670 224 2HB PRO 78 2HB PRO 78 31.495 -13.537 5.056 225 1HG PRO 78 1HG PRO 78 30.119 -11.753 7.008 226 2HG PRO 78 2HG PRO 78 31.847 -12.095 6.824 227 1HD PRO 78 1HD PRO 78 30.499 -9.773 5.920 228 2HD PRO 78 2HD PRO 78 32.150 -10.261 5.487 229 HA PRO 79 HA PRO 79 26.082 -11.980 3.004 230 1HB PRO 79 1HB PRO 79 25.489 -14.131 1.400 231 2HB PRO 79 2HB PRO 79 26.175 -12.613 0.788 232 1HG PRO 79 1HG PRO 79 27.506 -15.253 1.173 233 2HG PRO 79 2HG PRO 79 27.913 -13.944 0.051 234 1HD PRO 79 1HD PRO 79 29.231 -14.521 2.495 235 2HD PRO 79 2HD PRO 79 29.430 -13.052 1.517 236 H HIS 80 H HIS 80 24.075 -13.621 3.203 237 HA HIS 80 HA HIS 80 24.339 -16.072 4.608 238 1HB HIS 80 1HB HIS 80 23.511 -15.071 6.886 239 2HB HIS 80 2HB HIS 80 25.235 -15.054 6.516 240 HD1 HIS 80 HD1 HIS 80 22.747 -12.679 4.958 241 HD2 HIS 80 HD2 HIS 80 25.810 -12.605 7.783 242 HE1 HIS 80 HE1 HIS 80 23.165 -10.240 5.499 Start of MODEL 9 1 H VAL 49 H VAL 49 53.340 -5.463 2.761 2 HA VAL 49 HA VAL 49 53.165 -4.403 5.550 3 HB VAL 49 HB VAL 49 50.978 -3.412 4.092 4 1HG1 VAL 49 1HG1 VAL 49 53.632 -2.126 4.797 5 2HG1 VAL 49 2HG1 VAL 49 52.176 -1.238 4.350 6 3HG1 VAL 49 3HG1 VAL 49 52.204 -2.201 5.826 7 1HG2 VAL 49 1HG2 VAL 49 52.115 -4.060 1.991 8 2HG2 VAL 49 2HG2 VAL 49 52.010 -2.307 2.146 9 3HG2 VAL 49 3HG2 VAL 49 53.533 -3.132 2.478 10 HA PRO 50 HA PRO 50 49.924 -7.231 6.341 11 1HB PRO 50 1HB PRO 50 47.793 -5.640 7.162 12 2HB PRO 50 2HB PRO 50 49.167 -6.115 8.175 13 1HG PRO 50 1HG PRO 50 48.630 -3.468 6.890 14 2HG PRO 50 2HG PRO 50 49.558 -3.849 8.343 15 1HD PRO 50 1HD PRO 50 50.662 -3.241 5.853 16 2HD PRO 50 2HD PRO 50 51.518 -4.054 7.179 17 H GLY 51 H GLY 51 47.560 -7.882 5.624 18 1HA GLY 51 1HA GLY 51 47.117 -6.717 2.900 19 2HA GLY 51 2HA GLY 51 47.151 -8.457 3.151 20 H LEU 52 H LEU 52 45.162 -9.010 2.600 21 HA LEU 52 HA LEU 52 42.806 -8.587 2.246 22 1HB LEU 52 1HB LEU 52 43.212 -10.681 3.440 23 2HB LEU 52 2HB LEU 52 43.148 -9.816 4.982 24 HG LEU 52 HG LEU 52 40.887 -9.505 3.046 25 1HD1 LEU 52 1HD1 LEU 52 41.221 -11.816 4.979 26 2HD1 LEU 52 2HD1 LEU 52 39.755 -11.450 4.071 27 3HD1 LEU 52 3HD1 LEU 52 41.219 -11.943 3.221 28 1HD2 LEU 52 1HD2 LEU 52 41.452 -9.048 5.892 29 2HD2 LEU 52 2HD2 LEU 52 40.396 -8.161 4.791 30 3HD2 LEU 52 3HD2 LEU 52 39.843 -9.663 5.534 31 H CYS 53 H CYS 53 43.161 -8.091 5.639 32 HA CYS 53 HA CYS 53 42.880 -5.607 6.358 33 1HB CYS 53 1HB CYS 53 41.337 -5.097 4.552 34 2HB CYS 53 2HB CYS 53 40.178 -6.274 5.160 35 HA PRO 54 HA PRO 54 41.698 -7.951 9.943 36 1HB PRO 54 1HB PRO 54 42.305 -5.976 11.753 37 2HB PRO 54 2HB PRO 54 43.522 -7.018 10.995 38 1HG PRO 54 1HG PRO 54 42.888 -4.158 10.438 39 2HG PRO 54 2HG PRO 54 44.410 -5.038 10.206 40 1HD PRO 54 1HD PRO 54 42.550 -4.371 8.176 41 2HD PRO 54 2HD PRO 54 43.899 -5.517 8.023 42 H ARG 55 H ARG 55 39.953 -5.657 8.479 43 HA ARG 55 HA ARG 55 37.982 -5.438 10.711 44 1HB ARG 55 1HB ARG 55 39.180 -3.377 9.159 45 2HB ARG 55 2HB ARG 55 37.498 -3.497 8.642 46 1HG ARG 55 1HG ARG 55 37.017 -2.249 10.469 47 2HG ARG 55 2HG ARG 55 37.309 -3.724 11.393 48 1HD ARG 55 1HD ARG 55 39.766 -3.063 11.441 49 2HD ARG 55 2HD ARG 55 39.269 -1.495 10.805 50 HE ARG 55 HE ARG 55 37.793 -1.348 12.896 51 1HH1 ARG 55 1HH1 ARG 55 41.050 -2.032 12.821 52 2HH1 ARG 55 2HH1 ARG 55 41.168 -2.577 14.462 53 1HH2 ARG 55 1HH2 ARG 55 37.739 -2.608 14.975 54 2HH2 ARG 55 2HH2 ARG 55 39.293 -2.903 15.681 55 H CYS 56 H CYS 56 38.118 -5.241 7.126 56 HA CYS 56 HA CYS 56 35.554 -6.734 7.080 57 1HB CYS 56 1HB CYS 56 35.226 -5.897 4.852 58 2HB CYS 56 2HB CYS 56 35.768 -4.530 5.822 59 H LYS 57 H LYS 57 36.314 -7.443 4.214 60 HA LYS 57 HA LYS 57 38.512 -9.224 4.380 61 1HB LYS 57 1HB LYS 57 35.701 -10.275 4.606 62 2HB LYS 57 2HB LYS 57 36.993 -11.268 3.923 63 1HG LYS 57 1HG LYS 57 38.291 -10.568 6.104 64 2HG LYS 57 2HG LYS 57 36.672 -10.249 6.728 65 1HD LYS 57 1HD LYS 57 36.924 -12.810 5.295 66 2HD LYS 57 2HD LYS 57 37.887 -12.711 6.769 67 1HE LYS 57 1HE LYS 57 35.887 -12.018 8.036 68 2HE LYS 57 2HE LYS 57 34.919 -12.113 6.563 69 1HZ LYS 57 1HZ LYS 57 36.168 -14.520 6.661 70 2HZ LYS 57 2HZ LYS 57 35.823 -14.214 8.296 71 3HZ LYS 57 3HZ LYS 57 34.572 -14.220 7.146 72 H ARG 58 H ARG 58 37.199 -7.081 2.696 73 HA ARG 58 HA ARG 58 37.113 -8.640 0.147 74 1HB ARG 58 1HB ARG 58 35.019 -7.264 1.132 75 2HB ARG 58 2HB ARG 58 35.847 -5.949 0.294 76 1HG ARG 58 1HG ARG 58 34.297 -6.963 -1.265 77 2HG ARG 58 2HG ARG 58 35.932 -7.410 -1.756 78 1HD ARG 58 1HD ARG 58 35.429 -9.591 -1.541 79 2HD ARG 58 2HD ARG 58 34.979 -9.339 0.146 80 HE ARG 58 HE ARG 58 32.687 -9.130 -0.534 81 1HH1 ARG 58 1HH1 ARG 58 33.910 -7.831 -3.210 82 2HH1 ARG 58 2HH1 ARG 58 33.132 -8.864 -4.362 83 1HH2 ARG 58 1HH2 ARG 58 32.094 -11.170 -1.996 84 2HH2 ARG 58 2HH2 ARG 58 32.106 -10.751 -3.675 85 H GLY 59 H GLY 59 39.354 -7.133 1.701 86 1HA GLY 59 1HA GLY 59 40.349 -5.784 -0.748 87 2HA GLY 59 2HA GLY 59 40.173 -4.762 0.680 88 H LYS 60 H LYS 60 42.312 -4.413 1.043 89 HA LYS 60 HA LYS 60 43.823 -6.468 2.410 90 1HB LYS 60 1HB LYS 60 45.629 -5.341 0.486 91 2HB LYS 60 2HB LYS 60 45.204 -7.023 0.750 92 1HG LYS 60 1HG LYS 60 43.380 -6.923 -0.789 93 2HG LYS 60 2HG LYS 60 43.504 -5.167 -0.903 94 1HD LYS 60 1HD LYS 60 45.770 -5.413 -1.897 95 2HD LYS 60 2HD LYS 60 45.583 -7.166 -1.841 96 1HE LYS 60 1HE LYS 60 44.829 -6.819 -3.984 97 2HE LYS 60 2HE LYS 60 43.309 -6.555 -3.131 98 1HZ LYS 60 1HZ LYS 60 44.487 -4.134 -3.004 99 2HZ LYS 60 2HZ LYS 60 44.976 -4.677 -4.537 100 3HZ LYS 60 3HZ LYS 60 43.325 -4.588 -4.156 101 H HIS 61 H HIS 61 43.387 -4.799 4.050 102 HA HIS 61 HA HIS 61 45.494 -2.789 4.166 103 1HB HIS 61 1HB HIS 61 43.801 -0.889 4.230 104 2HB HIS 61 2HB HIS 61 44.199 -1.530 2.622 105 HD1 HIS 61 HD1 HIS 61 42.208 -2.272 1.247 106 HD2 HIS 61 HD2 HIS 61 41.379 -2.335 5.335 107 HE1 HIS 61 HE1 HIS 61 39.799 -3.055 1.483 108 H TRP 62 H TRP 62 44.618 -0.985 5.832 109 HA TRP 62 HA TRP 62 43.658 -2.569 8.152 110 1HB TRP 62 1HB TRP 62 44.961 -0.149 8.938 111 2HB TRP 62 2HB TRP 62 45.488 -1.809 9.159 112 HD1 TRP 62 HD1 TRP 62 46.769 1.183 7.791 113 HE1 TRP 62 HE1 TRP 62 48.532 0.792 5.956 114 HE3 TRP 62 HE3 TRP 62 45.815 -3.694 6.720 115 HZ2 TRP 62 HZ2 TRP 62 49.399 -1.327 4.228 116 HZ3 TRP 62 HZ3 TRP 62 47.058 -4.851 4.948 117 HH2 TRP 62 HH2 TRP 62 48.884 -3.702 3.709 118 H ALA 63 H ALA 63 42.635 -1.125 9.898 119 HA ALA 63 HA ALA 63 40.208 -0.041 9.011 120 1HB ALA 63 1HB ALA 63 41.305 -0.518 11.462 121 2HB ALA 63 2HB ALA 63 41.325 1.246 11.428 122 3HB ALA 63 3HB ALA 63 39.805 0.377 11.215 123 H ASN 64 H ASN 64 42.942 1.928 10.237 124 HA ASN 64 HA ASN 64 42.110 4.469 9.631 125 1HB ASN 64 1HB ASN 64 44.659 3.162 9.898 126 2HB ASN 64 2HB ASN 64 44.748 4.337 8.581 127 1HD2 ASN 64 1HD2 ASN 64 43.026 4.321 11.762 128 2HD2 ASN 64 2HD2 ASN 64 43.621 5.834 12.251 129 H GLU 65 H GLU 65 42.993 1.978 7.340 130 HA GLU 65 HA GLU 65 42.000 3.728 5.143 131 1HB GLU 65 1HB GLU 65 44.414 3.828 4.958 132 2HB GLU 65 2HB GLU 65 44.550 2.076 5.147 133 1HG GLU 65 1HG GLU 65 44.449 1.934 2.894 134 2HG GLU 65 2HG GLU 65 42.759 2.423 3.018 135 H CYS 66 H CYS 66 40.144 2.170 5.930 136 HA CYS 66 HA CYS 66 40.356 -0.317 4.298 137 1HB CYS 66 1HB CYS 66 40.417 -1.217 6.450 138 2HB CYS 66 2HB CYS 66 39.393 0.047 7.117 139 H LYS 67 H LYS 67 38.341 -1.144 3.509 140 HA LYS 67 HA LYS 67 35.921 0.477 3.638 141 1HB LYS 67 1HB LYS 67 35.886 0.725 1.085 142 2HB LYS 67 2HB LYS 67 37.001 1.792 1.940 143 1HG LYS 67 1HG LYS 67 38.862 0.269 1.475 144 2HG LYS 67 2HG LYS 67 37.764 -0.859 0.679 145 1HD LYS 67 1HD LYS 67 37.261 1.582 -0.581 146 2HD LYS 67 2HD LYS 67 39.014 1.554 -0.376 147 1HE LYS 67 1HE LYS 67 37.812 -0.992 -1.290 148 2HE LYS 67 2HE LYS 67 37.724 0.340 -2.443 149 1HZ LYS 67 1HZ LYS 67 40.190 -0.595 -1.078 150 2HZ LYS 67 2HZ LYS 67 39.771 -0.925 -2.692 151 3HZ LYS 67 3HZ LYS 67 40.097 0.668 -2.211 152 H SER 68 H SER 68 34.189 -0.608 2.259 153 HA SER 68 HA SER 68 34.741 -3.328 1.385 154 1HB SER 68 1HB SER 68 34.315 -2.852 4.130 155 2HB SER 68 2HB SER 68 32.820 -3.593 3.532 156 HG SER 68 HG SER 68 34.564 -5.002 2.382 157 H LYS 69 H LYS 69 32.306 -0.956 2.422 158 HA LYS 69 HA LYS 69 30.080 -0.660 1.671 159 1HB LYS 69 1HB LYS 69 31.911 -0.042 -0.253 160 2HB LYS 69 2HB LYS 69 30.915 -1.218 -1.110 161 1HG LYS 69 1HG LYS 69 29.114 0.443 0.292 162 2HG LYS 69 2HG LYS 69 30.299 1.523 -0.442 163 1HD LYS 69 1HD LYS 69 29.790 -0.342 -2.444 164 2HD LYS 69 2HD LYS 69 28.206 -0.066 -1.717 165 1HE LYS 69 1HE LYS 69 29.214 2.487 -1.854 166 2HE LYS 69 2HE LYS 69 29.877 1.756 -3.315 167 1HZ LYS 69 1HZ LYS 69 27.583 0.947 -3.792 168 2HZ LYS 69 2HZ LYS 69 27.028 1.909 -2.507 169 3HZ LYS 69 3HZ LYS 69 27.761 2.632 -3.857 170 H THR 70 H THR 70 29.774 -2.992 2.662 171 HA THR 70 HA THR 70 28.812 -4.778 0.464 172 HB THR 70 HB THR 70 30.261 -5.351 3.023 173 HG1 THR 70 HG1 THR 70 30.256 -6.924 0.716 174 1HG2 THR 70 1HG2 THR 70 27.932 -6.901 2.006 175 2HG2 THR 70 2HG2 THR 70 29.354 -7.826 2.489 176 3HG2 THR 70 3HG2 THR 70 28.564 -6.756 3.641 177 H ASP 71 H ASP 71 28.130 -3.330 3.611 178 HA ASP 71 HA ASP 71 25.250 -3.870 3.120 179 1HB ASP 71 1HB ASP 71 26.098 -5.672 4.625 180 2HB ASP 71 2HB ASP 71 26.575 -4.435 5.787 181 H ASN 72 H ASN 72 25.698 -2.827 6.299 182 HA ASN 72 HA ASN 72 26.005 0.022 5.594 183 1HB ASN 72 1HB ASN 72 23.872 0.726 6.344 184 2HB ASN 72 2HB ASN 72 23.534 -0.690 5.342 185 1HD2 ASN 72 1HD2 ASN 72 23.943 -2.848 6.941 186 2HD2 ASN 72 2HD2 ASN 72 23.006 -2.772 8.354 187 H GLN 73 H GLN 73 27.347 -2.077 7.313 188 HA GLN 73 HA GLN 73 27.133 -0.640 9.924 189 1HB GLN 73 1HB GLN 73 27.589 -3.537 9.227 190 2HB GLN 73 2HB GLN 73 28.151 -2.886 10.765 191 1HG GLN 73 1HG GLN 73 26.035 -2.665 11.596 192 2HG GLN 73 2HG GLN 73 25.368 -2.189 10.033 193 1HE2 GLN 73 1HE2 GLN 73 24.574 -4.394 12.075 194 2HE2 GLN 73 2HE2 GLN 73 24.449 -5.797 11.113 195 H GLY 74 H GLY 74 29.562 -3.014 9.088 196 1HA GLY 74 1HA GLY 74 31.582 -0.918 8.536 197 2HA GLY 74 2HA GLY 74 31.860 -1.964 9.937 198 H ASN 75 H ASN 75 31.397 -4.409 9.314 199 HA ASN 75 HA ASN 75 32.532 -4.958 6.623 200 1HB ASN 75 1HB ASN 75 33.607 -6.960 7.959 201 2HB ASN 75 2HB ASN 75 34.444 -5.423 7.797 202 1HD2 ASN 75 1HD2 ASN 75 31.655 -6.180 9.913 203 2HD2 ASN 75 2HD2 ASN 75 32.466 -5.836 11.374 204 HA PRO 76 HA PRO 76 28.881 -7.623 7.297 205 1HB PRO 76 1HB PRO 76 27.541 -6.686 5.107 206 2HB PRO 76 2HB PRO 76 27.480 -5.858 6.674 207 1HG PRO 76 1HG PRO 76 28.847 -5.005 4.193 208 2HG PRO 76 2HG PRO 76 28.428 -4.043 5.618 209 1HD PRO 76 1HD PRO 76 31.008 -5.226 4.929 210 2HD PRO 76 2HD PRO 76 30.622 -4.174 6.308 211 H ILE 77 H ILE 77 31.515 -7.862 5.843 212 HA ILE 77 HA ILE 77 31.165 -8.762 3.218 213 HB ILE 77 HB ILE 77 33.244 -10.067 4.927 214 1HG1 ILE 77 1HG1 ILE 77 33.332 -7.852 5.842 215 2HG1 ILE 77 2HG1 ILE 77 34.602 -7.925 4.625 216 1HG2 ILE 77 1HG2 ILE 77 32.865 -9.168 2.118 217 2HG2 ILE 77 2HG2 ILE 77 34.499 -9.063 2.773 218 3HG2 ILE 77 3HG2 ILE 77 33.661 -10.613 2.742 219 1HD1 ILE 77 1HD1 ILE 77 31.880 -6.968 3.795 220 2HD1 ILE 77 2HD1 ILE 77 32.928 -5.874 4.691 221 3HD1 ILE 77 3HD1 ILE 77 33.462 -6.538 3.147 222 HA PRO 78 HA PRO 78 30.670 -13.186 4.988 223 1HB PRO 78 1HB PRO 78 30.149 -13.406 7.682 224 2HB PRO 78 2HB PRO 78 31.781 -13.455 6.986 225 1HG PRO 78 1HG PRO 78 30.446 -11.254 8.491 226 2HG PRO 78 2HG PRO 78 32.173 -11.617 8.327 227 1HD PRO 78 1HD PRO 78 30.758 -9.605 6.934 228 2HD PRO 78 2HD PRO 78 32.391 -10.188 6.550 229 HA PRO 79 HA PRO 79 26.255 -12.649 4.862 230 1HB PRO 79 1HB PRO 79 25.661 -15.246 4.193 231 2HB PRO 79 2HB PRO 79 26.279 -14.054 3.033 232 1HG PRO 79 1HG PRO 79 27.700 -16.346 4.303 233 2HG PRO 79 2HG PRO 79 28.026 -15.539 2.760 234 1HD PRO 79 1HD PRO 79 29.455 -15.154 5.179 235 2HD PRO 79 2HD PRO 79 29.568 -14.144 3.721 236 H HIS 80 H HIS 80 27.013 -15.912 6.080 237 HA HIS 80 HA HIS 80 26.213 -15.354 8.796 238 1HB HIS 80 1HB HIS 80 24.036 -15.394 7.253 239 2HB HIS 80 2HB HIS 80 24.224 -17.135 7.453 240 HD1 HIS 80 HD1 HIS 80 21.836 -15.680 8.766 241 HD2 HIS 80 HD2 HIS 80 25.451 -16.410 10.709 242 HE1 HIS 80 HE1 HIS 80 21.336 -15.633 11.248 Start of MODEL 10 1 H VAL 49 H VAL 49 53.083 -4.599 8.636 2 HA VAL 49 HA VAL 49 53.063 -4.477 5.652 3 HB VAL 49 HB VAL 49 54.181 -6.816 7.214 4 1HG1 VAL 49 1HG1 VAL 49 53.497 -6.327 4.482 5 2HG1 VAL 49 2HG1 VAL 49 55.252 -6.466 4.591 6 3HG1 VAL 49 3HG1 VAL 49 54.225 -7.772 5.181 7 1HG2 VAL 49 1HG2 VAL 49 55.489 -4.286 6.251 8 2HG2 VAL 49 2HG2 VAL 49 55.754 -5.173 7.753 9 3HG2 VAL 49 3HG2 VAL 49 56.403 -5.796 6.236 10 HA PRO 50 HA PRO 50 49.406 -6.731 7.575 11 1HB PRO 50 1HB PRO 50 47.512 -4.792 7.102 12 2HB PRO 50 2HB PRO 50 48.401 -4.959 8.614 13 1HG PRO 50 1HG PRO 50 48.776 -2.920 6.474 14 2HG PRO 50 2HG PRO 50 49.133 -2.815 8.200 15 1HD PRO 50 1HD PRO 50 51.020 -3.251 6.150 16 2HD PRO 50 2HD PRO 50 51.277 -3.489 7.893 17 H GLY 51 H GLY 51 47.313 -7.272 6.234 18 1HA GLY 51 1HA GLY 51 47.828 -6.832 3.326 19 2HA GLY 51 2HA GLY 51 47.629 -8.474 3.930 20 H LEU 52 H LEU 52 45.731 -9.183 3.226 21 HA LEU 52 HA LEU 52 43.576 -8.345 2.097 22 1HB LEU 52 1HB LEU 52 43.500 -10.548 3.041 23 2HB LEU 52 2HB LEU 52 43.365 -9.890 4.678 24 HG LEU 52 HG LEU 52 41.360 -8.958 2.692 25 1HD1 LEU 52 1HD1 LEU 52 41.784 -11.612 2.627 26 2HD1 LEU 52 2HD1 LEU 52 40.745 -11.537 4.050 27 3HD1 LEU 52 3HD1 LEU 52 40.169 -10.916 2.503 28 1HD2 LEU 52 1HD2 LEU 52 41.759 -9.035 5.520 29 2HD2 LEU 52 2HD2 LEU 52 40.512 -8.192 4.600 30 3HD2 LEU 52 3HD2 LEU 52 40.251 -9.855 5.127 31 H CYS 53 H CYS 53 43.441 -7.980 5.563 32 HA CYS 53 HA CYS 53 43.003 -5.504 6.248 33 1HB CYS 53 1HB CYS 53 41.588 -5.072 4.306 34 2HB CYS 53 2HB CYS 53 40.432 -6.289 4.838 35 HA PRO 54 HA PRO 54 41.609 -7.981 9.676 36 1HB PRO 54 1HB PRO 54 42.185 -6.087 11.583 37 2HB PRO 54 2HB PRO 54 43.406 -7.147 10.857 38 1HG PRO 54 1HG PRO 54 42.911 -4.249 10.373 39 2HG PRO 54 2HG PRO 54 44.406 -5.183 10.173 40 1HD PRO 54 1HD PRO 54 42.651 -4.370 8.095 41 2HD PRO 54 2HD PRO 54 43.982 -5.537 7.951 42 H ARG 55 H ARG 55 39.993 -5.684 8.146 43 HA ARG 55 HA ARG 55 37.945 -5.331 10.290 44 1HB ARG 55 1HB ARG 55 39.148 -3.240 9.315 45 2HB ARG 55 2HB ARG 55 38.205 -3.556 7.858 46 1HG ARG 55 1HG ARG 55 36.385 -2.622 8.790 47 2HG ARG 55 2HG ARG 55 36.482 -3.737 10.153 48 1HD ARG 55 1HD ARG 55 38.558 -1.951 10.632 49 2HD ARG 55 2HD ARG 55 37.266 -0.925 10.004 50 HE ARG 55 HE ARG 55 36.168 -1.249 12.054 51 1HH1 ARG 55 1HH1 ARG 55 38.928 -3.146 12.099 52 2HH1 ARG 55 2HH1 ARG 55 38.333 -4.302 13.243 53 1HH2 ARG 55 1HH2 ARG 55 35.094 -3.068 13.207 54 2HH2 ARG 55 2HH2 ARG 55 36.164 -4.258 13.870 55 H CYS 56 H CYS 56 38.176 -5.230 6.710 56 HA CYS 56 HA CYS 56 35.631 -6.741 6.608 57 1HB CYS 56 1HB CYS 56 35.419 -6.009 4.331 58 2HB CYS 56 2HB CYS 56 35.958 -4.602 5.243 59 H LYS 57 H LYS 57 36.538 -7.628 3.846 60 HA LYS 57 HA LYS 57 38.740 -9.371 4.224 61 1HB LYS 57 1HB LYS 57 35.988 -10.352 4.717 62 2HB LYS 57 2HB LYS 57 37.002 -11.381 3.698 63 1HG LYS 57 1HG LYS 57 38.531 -10.436 5.957 64 2HG LYS 57 2HG LYS 57 37.043 -11.199 6.519 65 1HD LYS 57 1HD LYS 57 37.536 -13.227 5.325 66 2HD LYS 57 2HD LYS 57 38.881 -12.468 4.474 67 1HE LYS 57 1HE LYS 57 39.630 -13.912 6.371 68 2HE LYS 57 2HE LYS 57 40.125 -12.230 6.556 69 1HZ LYS 57 1HZ LYS 57 37.605 -13.233 7.727 70 2HZ LYS 57 2HZ LYS 57 39.082 -13.382 8.553 71 3HZ LYS 57 3HZ LYS 57 38.491 -11.846 8.145 72 H ARG 58 H ARG 58 37.467 -7.373 2.329 73 HA ARG 58 HA ARG 58 37.539 -9.127 -0.094 74 1HB ARG 58 1HB ARG 58 35.336 -7.798 0.686 75 2HB ARG 58 2HB ARG 58 36.138 -6.503 -0.209 76 1HG ARG 58 1HG ARG 58 35.999 -7.625 -2.230 77 2HG ARG 58 2HG ARG 58 36.004 -9.215 -1.468 78 1HD ARG 58 1HD ARG 58 33.768 -9.240 -1.751 79 2HD ARG 58 2HD ARG 58 33.684 -7.999 -0.501 80 HE ARG 58 HE ARG 58 34.057 -6.397 -2.572 81 1HH1 ARG 58 1HH1 ARG 58 31.228 -7.116 -1.835 82 2HH1 ARG 58 2HH1 ARG 58 30.591 -7.652 -3.352 83 1HH2 ARG 58 1HH2 ARG 58 33.705 -8.056 -4.822 84 2HH2 ARG 58 2HH2 ARG 58 31.991 -8.184 -5.043 85 H GLY 59 H GLY 59 39.609 -7.388 1.422 86 1HA GLY 59 1HA GLY 59 40.717 -6.230 -1.057 87 2HA GLY 59 2HA GLY 59 40.365 -5.069 0.226 88 H LYS 60 H LYS 60 42.678 -4.687 0.251 89 HA LYS 60 HA LYS 60 44.102 -6.501 2.100 90 1HB LYS 60 1HB LYS 60 46.063 -5.514 0.344 91 2HB LYS 60 2HB LYS 60 45.496 -7.174 0.476 92 1HG LYS 60 1HG LYS 60 43.898 -6.899 -1.252 93 2HG LYS 60 2HG LYS 60 44.070 -5.143 -1.227 94 1HD LYS 60 1HD LYS 60 45.648 -5.316 -2.822 95 2HD LYS 60 2HD LYS 60 46.662 -6.193 -1.674 96 1HE LYS 60 1HE LYS 60 45.488 -8.302 -2.313 97 2HE LYS 60 2HE LYS 60 44.597 -7.399 -3.538 98 1HZ LYS 60 1HZ LYS 60 47.409 -6.925 -3.679 99 2HZ LYS 60 2HZ LYS 60 47.041 -8.575 -3.856 100 3HZ LYS 60 3HZ LYS 60 46.336 -7.435 -4.896 101 H HIS 61 H HIS 61 43.654 -4.853 3.681 102 HA HIS 61 HA HIS 61 45.603 -2.717 3.733 103 1HB HIS 61 1HB HIS 61 43.831 -0.909 3.721 104 2HB HIS 61 2HB HIS 61 44.274 -1.576 2.137 105 HD1 HIS 61 HD1 HIS 61 42.401 -2.663 0.793 106 HD2 HIS 61 HD2 HIS 61 41.366 -2.211 4.810 107 HE1 HIS 61 HE1 HIS 61 39.981 -3.421 1.009 108 H TRP 62 H TRP 62 44.643 -0.914 5.328 109 HA TRP 62 HA TRP 62 43.910 -2.471 7.734 110 1HB TRP 62 1HB TRP 62 44.812 0.268 8.179 111 2HB TRP 62 2HB TRP 62 45.477 -1.249 8.760 112 HD1 TRP 62 HD1 TRP 62 46.762 1.487 7.048 113 HE1 TRP 62 HE1 TRP 62 48.540 0.887 5.275 114 HE3 TRP 62 HE3 TRP 62 45.823 -3.482 6.536 115 HZ2 TRP 62 HZ2 TRP 62 49.425 -1.435 3.808 116 HZ3 TRP 62 HZ3 TRP 62 47.080 -4.845 4.926 117 HH2 TRP 62 HH2 TRP 62 48.892 -3.851 3.581 118 H ALA 63 H ALA 63 42.701 -1.137 9.431 119 HA ALA 63 HA ALA 63 40.104 -0.521 8.531 120 1HB ALA 63 1HB ALA 63 41.646 -0.087 11.031 121 2HB ALA 63 2HB ALA 63 40.210 0.916 10.819 122 3HB ALA 63 3HB ALA 63 40.069 -0.842 10.796 123 H ASN 64 H ASN 64 42.429 1.911 9.781 124 HA ASN 64 HA ASN 64 41.150 4.240 9.077 125 1HB ASN 64 1HB ASN 64 43.817 3.516 9.664 126 2HB ASN 64 2HB ASN 64 43.886 4.460 8.172 127 1HD2 ASN 64 1HD2 ASN 64 43.243 6.711 8.267 128 2HD2 ASN 64 2HD2 ASN 64 42.950 7.503 9.739 129 H GLU 65 H GLU 65 42.938 2.111 6.876 130 HA GLU 65 HA GLU 65 41.830 3.695 4.592 131 1HB GLU 65 1HB GLU 65 44.307 3.642 4.694 132 2HB GLU 65 2HB GLU 65 44.260 1.875 4.664 133 1HG GLU 65 1HG GLU 65 42.724 2.417 2.499 134 2HG GLU 65 2HG GLU 65 43.796 3.818 2.469 135 H CYS 66 H CYS 66 39.951 2.107 5.489 136 HA CYS 66 HA CYS 66 40.076 -0.308 3.734 137 1HB CYS 66 1HB CYS 66 40.275 -1.228 5.909 138 2HB CYS 66 2HB CYS 66 39.140 -0.072 6.595 139 H LYS 67 H LYS 67 37.970 -1.051 3.018 140 HA LYS 67 HA LYS 67 35.628 0.644 3.414 141 1HB LYS 67 1HB LYS 67 37.376 1.201 1.229 142 2HB LYS 67 2HB LYS 67 35.941 0.422 0.562 143 1HG LYS 67 1HG LYS 67 34.490 2.068 1.457 144 2HG LYS 67 2HG LYS 67 35.725 2.671 2.564 145 1HD LYS 67 1HD LYS 67 36.514 2.771 -0.271 146 2HD LYS 67 2HD LYS 67 35.134 3.796 0.125 147 1HE LYS 67 1HE LYS 67 36.877 4.224 2.245 148 2HE LYS 67 2HE LYS 67 37.952 4.112 0.851 149 1HZ LYS 67 1HZ LYS 67 35.517 5.802 0.889 150 2HZ LYS 67 2HZ LYS 67 37.054 6.379 1.329 151 3HZ LYS 67 3HZ LYS 67 36.773 5.819 -0.252 152 H SER 68 H SER 68 33.722 -0.419 2.681 153 HA SER 68 HA SER 68 33.947 -2.987 1.321 154 1HB SER 68 1HB SER 68 34.322 -2.798 4.138 155 2HB SER 68 2HB SER 68 32.780 -3.623 3.857 156 HG SER 68 HG SER 68 34.271 -4.716 2.127 157 H LYS 69 H LYS 69 32.396 -1.175 0.319 158 HA LYS 69 HA LYS 69 29.865 -0.606 1.410 159 1HB LYS 69 1HB LYS 69 31.001 -0.771 -1.328 160 2HB LYS 69 2HB LYS 69 29.243 -0.876 -1.217 161 1HG LYS 69 1HG LYS 69 29.904 1.465 -1.452 162 2HG LYS 69 2HG LYS 69 29.239 1.200 0.161 163 1HD LYS 69 1HD LYS 69 31.712 0.752 0.850 164 2HD LYS 69 2HD LYS 69 32.111 1.587 -0.651 165 1HE LYS 69 1HE LYS 69 31.968 3.470 0.615 166 2HE LYS 69 2HE LYS 69 30.227 3.266 0.409 167 1HZ LYS 69 1HZ LYS 69 30.294 1.850 2.447 168 2HZ LYS 69 2HZ LYS 69 31.901 2.350 2.677 169 3HZ LYS 69 3HZ LYS 69 30.641 3.489 2.713 170 H THR 70 H THR 70 29.124 -2.466 2.548 171 HA THR 70 HA THR 70 27.923 -4.530 0.773 172 HB THR 70 HB THR 70 29.735 -4.966 3.144 173 HG1 THR 70 HG1 THR 70 29.543 -5.718 0.474 174 1HG2 THR 70 1HG2 THR 70 27.664 -6.908 2.091 175 2HG2 THR 70 2HG2 THR 70 28.950 -7.292 3.230 176 3HG2 THR 70 3HG2 THR 70 27.676 -6.169 3.693 177 H ASP 71 H ASP 71 27.996 -2.972 3.964 178 HA ASP 71 HA ASP 71 25.047 -3.117 4.029 179 1HB ASP 71 1HB ASP 71 26.217 -5.157 5.241 180 2HB ASP 71 2HB ASP 71 26.461 -3.975 6.527 181 H ASN 72 H ASN 72 25.177 -2.395 6.964 182 HA ASN 72 HA ASN 72 26.340 0.341 6.648 183 1HB ASN 72 1HB ASN 72 24.431 1.336 7.609 184 2HB ASN 72 2HB ASN 72 23.761 0.116 6.522 185 1HD2 ASN 72 1HD2 ASN 72 23.387 -2.127 7.670 186 2HD2 ASN 72 2HD2 ASN 72 22.773 -2.062 9.251 187 H GLN 73 H GLN 73 27.603 -1.950 7.925 188 HA GLN 73 HA GLN 73 27.586 -1.015 10.759 189 1HB GLN 73 1HB GLN 73 28.053 -3.755 9.559 190 2HB GLN 73 2HB GLN 73 28.487 -3.349 11.214 191 1HG GLN 73 1HG GLN 73 26.354 -3.558 11.904 192 2HG GLN 73 2HG GLN 73 25.796 -2.458 10.644 193 1HE2 GLN 73 1HE2 GLN 73 23.911 -4.081 10.568 194 2HE2 GLN 73 2HE2 GLN 73 24.102 -5.461 9.584 195 H GLY 74 H GLY 74 29.842 -3.197 9.176 196 1HA GLY 74 1HA GLY 74 31.893 -1.141 8.830 197 2HA GLY 74 2HA GLY 74 32.214 -2.260 10.163 198 H ASN 75 H ASN 75 31.456 -4.668 9.286 199 HA ASN 75 HA ASN 75 32.595 -5.084 6.598 200 1HB ASN 75 1HB ASN 75 33.982 -6.852 7.434 201 2HB ASN 75 2HB ASN 75 34.435 -5.352 8.224 202 1HD2 ASN 75 1HD2 ASN 75 32.897 -5.041 10.346 203 2HD2 ASN 75 2HD2 ASN 75 32.829 -6.413 11.353 204 HA PRO 76 HA PRO 76 28.944 -7.743 7.426 205 1HB PRO 76 1HB PRO 76 27.386 -6.622 5.469 206 2HB PRO 76 2HB PRO 76 27.478 -5.956 7.112 207 1HG PRO 76 1HG PRO 76 28.582 -4.838 4.605 208 2HG PRO 76 2HG PRO 76 28.304 -4.033 6.155 209 1HD PRO 76 1HD PRO 76 30.811 -5.085 5.103 210 2HD PRO 76 2HD PRO 76 30.551 -4.203 6.624 211 H ILE 77 H ILE 77 31.403 -7.638 5.527 212 HA ILE 77 HA ILE 77 30.710 -8.424 2.955 213 HB ILE 77 HB ILE 77 33.039 -9.844 4.155 214 1HG1 ILE 77 1HG1 ILE 77 33.186 -7.754 5.391 215 2HG1 ILE 77 2HG1 ILE 77 34.375 -7.717 4.092 216 1HG2 ILE 77 1HG2 ILE 77 32.268 -8.471 1.626 217 2HG2 ILE 77 2HG2 ILE 77 33.981 -8.492 2.048 218 3HG2 ILE 77 3HG2 ILE 77 33.099 -10.009 1.865 219 1HD1 ILE 77 1HD1 ILE 77 31.618 -6.467 3.909 220 2HD1 ILE 77 2HD1 ILE 77 33.090 -5.582 4.301 221 3HD1 ILE 77 3HD1 ILE 77 32.914 -6.341 2.720 222 HA PRO 78 HA PRO 78 28.765 -12.300 4.146 223 1HB PRO 78 1HB PRO 78 27.639 -12.770 1.675 224 2HB PRO 78 2HB PRO 78 26.924 -11.746 2.935 225 1HG PRO 78 1HG PRO 78 28.305 -10.938 0.418 226 2HG PRO 78 2HG PRO 78 27.070 -10.078 1.349 227 1HD PRO 78 1HD PRO 78 29.831 -9.496 1.385 228 2HD PRO 78 2HD PRO 78 28.635 -8.933 2.569 229 HA PRO 79 HA PRO 79 31.228 -14.761 0.831 230 1HB PRO 79 1HB PRO 79 33.313 -13.445 -0.381 231 2HB PRO 79 2HB PRO 79 31.683 -13.547 -1.072 232 1HG PRO 79 1HG PRO 79 33.019 -11.234 0.257 233 2HG PRO 79 2HG PRO 79 31.748 -11.240 -0.977 234 1HD PRO 79 1HD PRO 79 31.355 -10.787 1.778 235 2HD PRO 79 2HD PRO 79 30.094 -11.172 0.590 236 H HIS 80 H HIS 80 33.740 -15.430 0.754 237 HA HIS 80 HA HIS 80 34.763 -15.005 3.518 238 1HB HIS 80 1HB HIS 80 35.277 -17.163 1.456 239 2HB HIS 80 2HB HIS 80 36.169 -17.044 2.973 240 HD1 HIS 80 HD1 HIS 80 35.193 -19.091 4.140 241 HD2 HIS 80 HD2 HIS 80 32.256 -16.474 2.757 242 HE1 HIS 80 HE1 HIS 80 33.001 -19.894 5.120 Start of MODEL 11 1 H VAL 49 H VAL 49 53.192 -3.241 6.260 2 HA VAL 49 HA VAL 49 52.798 -3.999 3.404 3 HB VAL 49 HB VAL 49 54.378 -5.528 5.478 4 1HG1 VAL 49 1HG1 VAL 49 53.589 -5.964 2.645 5 2HG1 VAL 49 2HG1 VAL 49 55.251 -6.372 3.069 6 3HG1 VAL 49 3HG1 VAL 49 53.910 -7.143 3.918 7 1HG2 VAL 49 1HG2 VAL 49 55.060 -3.293 3.659 8 2HG2 VAL 49 2HG2 VAL 49 55.867 -3.833 5.132 9 3HG2 VAL 49 3HG2 VAL 49 56.168 -4.665 3.606 10 HA PRO 50 HA PRO 50 49.909 -6.600 6.193 11 1HB PRO 50 1HB PRO 50 47.746 -4.925 6.631 12 2HB PRO 50 2HB PRO 50 49.045 -5.216 7.800 13 1HG PRO 50 1HG PRO 50 48.563 -2.803 6.134 14 2HG PRO 50 2HG PRO 50 49.443 -2.959 7.652 15 1HD PRO 50 1HD PRO 50 50.587 -2.731 5.076 16 2HD PRO 50 2HD PRO 50 51.414 -3.180 6.582 17 H GLY 51 H GLY 51 47.698 -7.416 5.316 18 1HA GLY 51 1HA GLY 51 47.296 -6.412 2.524 19 2HA GLY 51 2HA GLY 51 47.436 -8.136 2.851 20 H LEU 52 H LEU 52 45.463 -8.819 2.244 21 HA LEU 52 HA LEU 52 43.059 -8.442 1.869 22 1HB LEU 52 1HB LEU 52 43.532 -10.592 2.877 23 2HB LEU 52 2HB LEU 52 43.575 -9.857 4.487 24 HG LEU 52 HG LEU 52 41.150 -9.433 2.787 25 1HD1 LEU 52 1HD1 LEU 52 42.100 -12.032 3.757 26 2HD1 LEU 52 2HD1 LEU 52 40.492 -11.618 4.354 27 3HD1 LEU 52 3HD1 LEU 52 40.803 -11.668 2.619 28 1HD2 LEU 52 1HD2 LEU 52 41.956 -9.230 5.595 29 2HD2 LEU 52 2HD2 LEU 52 40.714 -8.345 4.708 30 3HD2 LEU 52 3HD2 LEU 52 40.370 -9.952 5.353 31 H CYS 53 H CYS 53 43.527 -8.111 5.276 32 HA CYS 53 HA CYS 53 43.091 -5.729 6.166 33 1HB CYS 53 1HB CYS 53 41.421 -5.213 4.474 34 2HB CYS 53 2HB CYS 53 40.376 -6.500 5.072 35 HA PRO 54 HA PRO 54 42.262 -8.408 9.617 36 1HB PRO 54 1HB PRO 54 42.994 -6.574 11.529 37 2HB PRO 54 2HB PRO 54 44.154 -7.538 10.597 38 1HG PRO 54 1HG PRO 54 43.467 -4.649 10.327 39 2HG PRO 54 2HG PRO 54 44.966 -5.494 9.896 40 1HD PRO 54 1HD PRO 54 42.932 -4.683 8.093 41 2HD PRO 54 2HD PRO 54 44.278 -5.786 7.732 42 H ARG 55 H ARG 55 40.339 -6.121 8.450 43 HA ARG 55 HA ARG 55 38.582 -6.030 10.865 44 1HB ARG 55 1HB ARG 55 39.487 -3.923 9.087 45 2HB ARG 55 2HB ARG 55 37.730 -4.064 9.025 46 1HG ARG 55 1HG ARG 55 39.349 -3.857 11.583 47 2HG ARG 55 2HG ARG 55 38.501 -2.510 10.821 48 1HD ARG 55 1HD ARG 55 36.660 -3.124 11.963 49 2HD ARG 55 2HD ARG 55 36.609 -4.577 10.965 50 HE ARG 55 HE ARG 55 38.364 -4.705 13.333 51 1HH1 ARG 55 1HH1 ARG 55 35.128 -4.954 12.251 52 2HH1 ARG 55 2HH1 ARG 55 34.779 -6.386 13.163 53 1HH2 ARG 55 1HH2 ARG 55 38.019 -6.747 14.340 54 2HH2 ARG 55 2HH2 ARG 55 36.415 -7.398 14.345 55 H CYS 56 H CYS 56 38.460 -5.834 7.284 56 HA CYS 56 HA CYS 56 35.962 -7.452 7.407 57 1HB CYS 56 1HB CYS 56 35.413 -6.601 5.215 58 2HB CYS 56 2HB CYS 56 35.908 -5.215 6.179 59 H LYS 57 H LYS 57 36.533 -8.055 4.477 60 HA LYS 57 HA LYS 57 38.896 -9.605 4.396 61 1HB LYS 57 1HB LYS 57 37.648 -11.815 4.072 62 2HB LYS 57 2HB LYS 57 37.757 -11.223 5.732 63 1HG LYS 57 1HG LYS 57 35.494 -10.078 5.292 64 2HG LYS 57 2HG LYS 57 35.394 -11.092 3.853 65 1HD LYS 57 1HD LYS 57 35.524 -11.970 6.743 66 2HD LYS 57 2HD LYS 57 34.269 -12.321 5.553 67 1HE LYS 57 1HE LYS 57 36.077 -13.540 4.215 68 2HE LYS 57 2HE LYS 57 37.086 -13.414 5.657 69 1HZ LYS 57 1HZ LYS 57 35.330 -14.537 6.911 70 2HZ LYS 57 2HZ LYS 57 34.420 -14.711 5.487 71 3HZ LYS 57 3HZ LYS 57 35.914 -15.502 5.644 72 H ARG 58 H ARG 58 37.336 -7.586 2.906 73 HA ARG 58 HA ARG 58 37.096 -9.099 0.341 74 1HB ARG 58 1HB ARG 58 35.101 -7.652 1.694 75 2HB ARG 58 2HB ARG 58 35.617 -6.606 0.369 76 1HG ARG 58 1HG ARG 58 35.183 -9.502 -0.232 77 2HG ARG 58 2HG ARG 58 33.757 -8.495 0.016 78 1HD ARG 58 1HD ARG 58 35.888 -7.396 -1.752 79 2HD ARG 58 2HD ARG 58 34.933 -8.736 -2.386 80 HE ARG 58 HE ARG 58 33.193 -6.758 -1.241 81 1HH1 ARG 58 1HH1 ARG 58 34.552 -8.033 -4.075 82 2HH1 ARG 58 2HH1 ARG 58 33.995 -6.760 -5.106 83 1HH2 ARG 58 1HH2 ARG 58 32.770 -4.825 -2.501 84 2HH2 ARG 58 2HH2 ARG 58 32.986 -4.944 -4.216 85 H GLY 59 H GLY 59 39.331 -7.401 1.720 86 1HA GLY 59 1HA GLY 59 39.935 -5.930 -0.781 87 2HA GLY 59 2HA GLY 59 39.796 -4.947 0.676 88 H LYS 60 H LYS 60 41.842 -4.360 1.003 89 HA LYS 60 HA LYS 60 43.767 -6.308 2.026 90 1HB LYS 60 1HB LYS 60 43.864 -5.771 -0.722 91 2HB LYS 60 2HB LYS 60 45.068 -4.677 -0.031 92 1HG LYS 60 1HG LYS 60 46.258 -6.477 0.988 93 2HG LYS 60 2HG LYS 60 44.941 -7.611 0.690 94 1HD LYS 60 1HD LYS 60 46.903 -7.809 -0.908 95 2HD LYS 60 2HD LYS 60 45.334 -7.573 -1.680 96 1HE LYS 60 1HE LYS 60 45.779 -5.209 -1.990 97 2HE LYS 60 2HE LYS 60 47.273 -5.326 -1.060 98 1HZ LYS 60 1HZ LYS 60 48.072 -6.935 -2.743 99 2HZ LYS 60 2HZ LYS 60 46.686 -6.617 -3.668 100 3HZ LYS 60 3HZ LYS 60 47.811 -5.377 -3.369 101 H HIS 61 H HIS 61 43.166 -4.784 3.831 102 HA HIS 61 HA HIS 61 45.076 -2.584 3.942 103 1HB HIS 61 1HB HIS 61 43.204 -0.898 4.303 104 2HB HIS 61 2HB HIS 61 43.567 -1.356 2.630 105 HD1 HIS 61 HD1 HIS 61 41.703 -2.492 1.302 106 HD2 HIS 61 HD2 HIS 61 40.873 -2.375 5.390 107 HE1 HIS 61 HE1 HIS 61 39.328 -3.364 1.586 108 H TRP 62 H TRP 62 44.183 -0.988 5.807 109 HA TRP 62 HA TRP 62 43.714 -2.819 8.095 110 1HB TRP 62 1HB TRP 62 44.768 -0.242 8.846 111 2HB TRP 62 2HB TRP 62 45.499 -1.832 8.990 112 HD1 TRP 62 HD1 TRP 62 46.355 1.283 7.578 113 HE1 TRP 62 HE1 TRP 62 47.902 1.083 5.522 114 HE3 TRP 62 HE3 TRP 62 45.710 -3.649 6.482 115 HZ2 TRP 62 HZ2 TRP 62 48.735 -0.927 3.637 116 HZ3 TRP 62 HZ3 TRP 62 46.826 -4.662 4.538 117 HH2 TRP 62 HH2 TRP 62 48.360 -3.327 3.125 118 H ALA 63 H ALA 63 42.631 -1.796 10.003 119 HA ALA 63 HA ALA 63 40.043 -0.865 9.390 120 1HB ALA 63 1HB ALA 63 40.799 -1.852 11.583 121 2HB ALA 63 2HB ALA 63 41.547 -0.299 11.960 122 3HB ALA 63 3HB ALA 63 39.798 -0.410 11.752 123 H ASN 64 H ASN 64 42.724 1.098 10.766 124 HA ASN 64 HA ASN 64 41.582 3.609 10.733 125 1HB ASN 64 1HB ASN 64 44.354 2.655 10.101 126 2HB ASN 64 2HB ASN 64 43.961 4.357 9.835 127 1HD2 ASN 64 1HD2 ASN 64 45.780 3.347 11.917 128 2HD2 ASN 64 2HD2 ASN 64 45.101 3.782 13.411 129 H GLU 65 H GLU 65 42.472 1.658 7.988 130 HA GLU 65 HA GLU 65 41.170 3.654 6.209 131 1HB GLU 65 1HB GLU 65 43.584 3.993 5.940 132 2HB GLU 65 2HB GLU 65 43.816 2.262 5.681 133 1HG GLU 65 1HG GLU 65 42.802 2.306 3.577 134 2HG GLU 65 2HG GLU 65 41.912 3.787 3.927 135 H CYS 66 H CYS 66 39.641 1.683 6.974 136 HA CYS 66 HA CYS 66 39.915 -0.439 4.891 137 1HB CYS 66 1HB CYS 66 40.127 -1.603 6.927 138 2HB CYS 66 2HB CYS 66 38.965 -0.561 7.747 139 H LYS 67 H LYS 67 38.245 -0.685 3.512 140 HA LYS 67 HA LYS 67 35.610 0.475 4.222 141 1HB LYS 67 1HB LYS 67 37.315 1.803 2.488 142 2HB LYS 67 2HB LYS 67 36.324 0.839 1.391 143 1HG LYS 67 1HG LYS 67 34.906 2.264 3.590 144 2HG LYS 67 2HG LYS 67 35.536 3.252 2.273 145 1HD LYS 67 1HD LYS 67 34.422 1.335 0.789 146 2HD LYS 67 2HD LYS 67 33.411 1.151 2.222 147 1HE LYS 67 1HE LYS 67 32.179 2.858 1.395 148 2HE LYS 67 2HE LYS 67 33.518 3.904 1.870 149 1HZ LYS 67 1HZ LYS 67 33.888 2.530 -0.645 150 2HZ LYS 67 2HZ LYS 67 32.605 3.644 -0.640 151 3HZ LYS 67 3HZ LYS 67 34.171 4.156 -0.242 152 H SER 68 H SER 68 33.870 -0.598 3.219 153 HA SER 68 HA SER 68 34.305 -2.708 1.291 154 1HB SER 68 1HB SER 68 34.934 -3.219 3.999 155 2HB SER 68 2HB SER 68 33.424 -4.083 3.665 156 HG SER 68 HG SER 68 35.559 -5.127 3.131 157 H LYS 69 H LYS 69 32.467 -1.163 0.663 158 HA LYS 69 HA LYS 69 29.998 -1.149 2.089 159 1HB LYS 69 1HB LYS 69 30.983 -0.108 -0.364 160 2HB LYS 69 2HB LYS 69 29.525 -1.025 -0.745 161 1HG LYS 69 1HG LYS 69 28.697 0.271 1.492 162 2HG LYS 69 2HG LYS 69 29.834 1.457 0.849 163 1HD LYS 69 1HD LYS 69 28.562 1.869 -1.016 164 2HD LYS 69 2HD LYS 69 27.964 0.212 -1.102 165 1HE LYS 69 1HE LYS 69 26.031 1.073 -0.280 166 2HE LYS 69 2HE LYS 69 26.875 1.083 1.268 167 1HZ LYS 69 1HZ LYS 69 26.835 3.326 -0.677 168 2HZ LYS 69 2HZ LYS 69 25.908 3.244 0.745 169 3HZ LYS 69 3HZ LYS 69 27.603 3.334 0.834 170 H THR 70 H THR 70 29.341 -3.188 2.736 171 HA THR 70 HA THR 70 28.732 -5.124 0.541 172 HB THR 70 HB THR 70 30.192 -5.466 3.030 173 HG1 THR 70 HG1 THR 70 30.717 -6.264 0.943 174 1HG2 THR 70 1HG2 THR 70 27.988 -6.157 3.947 175 2HG2 THR 70 2HG2 THR 70 27.841 -7.340 2.652 176 3HG2 THR 70 3HG2 THR 70 29.122 -7.499 3.849 177 H ASP 71 H ASP 71 27.705 -3.723 3.621 178 HA ASP 71 HA ASP 71 24.884 -4.274 2.803 179 1HB ASP 71 1HB ASP 71 26.189 -4.828 5.462 180 2HB ASP 71 2HB ASP 71 24.461 -4.499 5.361 181 H ASN 72 H ASN 72 25.815 -2.837 5.856 182 HA ASN 72 HA ASN 72 25.512 -0.088 4.817 183 1HB ASN 72 1HB ASN 72 23.693 0.433 6.418 184 2HB ASN 72 2HB ASN 72 23.188 -0.799 5.254 185 1HD2 ASN 72 1HD2 ASN 72 23.457 -0.117 8.601 186 2HD2 ASN 72 2HD2 ASN 72 23.202 -1.693 9.179 187 H GLN 73 H GLN 73 27.830 -1.044 5.791 188 HA GLN 73 HA GLN 73 28.194 0.494 8.256 189 1HB GLN 73 1HB GLN 73 27.411 -2.060 8.664 190 2HB GLN 73 2HB GLN 73 29.149 -2.314 8.513 191 1HG GLN 73 1HG GLN 73 29.597 -0.719 10.281 192 2HG GLN 73 2HG GLN 73 27.896 -0.257 10.351 193 1HE2 GLN 73 1HE2 GLN 73 26.360 -2.241 10.787 194 2HE2 GLN 73 2HE2 GLN 73 26.909 -3.364 11.948 195 H GLY 74 H GLY 74 30.667 -1.387 8.669 196 1HA GLY 74 1HA GLY 74 32.284 -0.227 6.437 197 2HA GLY 74 2HA GLY 74 32.896 -0.400 8.089 198 H ASN 75 H ASN 75 31.763 -2.988 8.596 199 HA ASN 75 HA ASN 75 33.038 -4.711 6.544 200 1HB ASN 75 1HB ASN 75 33.752 -6.066 8.653 201 2HB ASN 75 2HB ASN 75 34.790 -4.793 8.027 202 1HD2 ASN 75 1HD2 ASN 75 31.748 -4.341 9.845 203 2HD2 ASN 75 2HD2 ASN 75 32.469 -3.555 11.175 204 HA PRO 76 HA PRO 76 29.006 -6.421 8.040 205 1HB PRO 76 1HB PRO 76 27.628 -5.917 5.737 206 2HB PRO 76 2HB PRO 76 27.767 -4.715 7.034 207 1HG PRO 76 1HG PRO 76 29.050 -4.712 4.364 208 2HG PRO 76 2HG PRO 76 28.822 -3.368 5.491 209 1HD PRO 76 1HD PRO 76 31.222 -4.959 5.061 210 2HD PRO 76 2HD PRO 76 31.014 -3.576 6.152 211 H ILE 77 H ILE 77 31.488 -7.297 6.424 212 HA ILE 77 HA ILE 77 30.699 -8.798 4.211 213 HB ILE 77 HB ILE 77 32.861 -9.911 5.942 214 1HG1 ILE 77 1HG1 ILE 77 33.307 -7.593 6.296 215 2HG1 ILE 77 2HG1 ILE 77 34.363 -8.077 4.969 216 1HG2 ILE 77 1HG2 ILE 77 32.246 -9.530 3.037 217 2HG2 ILE 77 2HG2 ILE 77 33.934 -9.653 3.533 218 3HG2 ILE 77 3HG2 ILE 77 32.814 -10.970 3.882 219 1HD1 ILE 77 1HD1 ILE 77 31.663 -7.026 4.231 220 2HD1 ILE 77 2HD1 ILE 77 32.833 -5.869 4.856 221 3HD1 ILE 77 3HD1 ILE 77 33.211 -6.817 3.421 222 HA PRO 78 HA PRO 78 28.337 -11.894 6.425 223 1HB PRO 78 1HB PRO 78 27.328 -13.088 4.165 224 2HB PRO 78 2HB PRO 78 26.674 -11.593 4.863 225 1HG PRO 78 1HG PRO 78 28.349 -11.950 2.421 226 2HG PRO 78 2HG PRO 78 27.188 -10.669 2.808 227 1HD PRO 78 1HD PRO 78 30.007 -10.466 2.989 228 2HD PRO 78 2HD PRO 78 28.829 -9.326 3.673 229 HA PRO 79 HA PRO 79 31.417 -15.130 5.935 230 1HB PRO 79 1HB PRO 79 30.594 -16.577 8.123 231 2HB PRO 79 2HB PRO 79 31.625 -15.137 8.232 232 1HG PRO 79 1HG PRO 79 28.730 -15.428 8.892 233 2HG PRO 79 2HG PRO 79 29.919 -14.285 9.539 234 1HD PRO 79 1HD PRO 79 27.960 -13.709 7.579 235 2HD PRO 79 2HD PRO 79 29.355 -12.691 7.992 236 H HIS 80 H HIS 80 28.832 -16.906 7.497 237 HA HIS 80 HA HIS 80 27.586 -18.757 6.761 238 1HB HIS 80 1HB HIS 80 27.323 -16.647 4.744 239 2HB HIS 80 2HB HIS 80 27.065 -18.262 4.084 240 HD1 HIS 80 HD1 HIS 80 24.539 -16.903 4.036 241 HD2 HIS 80 HD2 HIS 80 25.900 -18.537 7.620 242 HE1 HIS 80 HE1 HIS 80 22.501 -17.191 5.510 Start of MODEL 12 1 H VAL 49 H VAL 49 51.052 -2.983 4.111 2 HA VAL 49 HA VAL 49 53.374 -4.760 3.869 3 HB VAL 49 HB VAL 49 52.701 -3.042 6.191 4 1HG1 VAL 49 1HG1 VAL 49 54.118 -5.726 6.307 5 2HG1 VAL 49 2HG1 VAL 49 54.160 -4.527 7.598 6 3HG1 VAL 49 3HG1 VAL 49 52.634 -5.296 7.156 7 1HG2 VAL 49 1HG2 VAL 49 55.272 -3.956 4.887 8 2HG2 VAL 49 2HG2 VAL 49 54.470 -2.408 4.619 9 3HG2 VAL 49 3HG2 VAL 49 55.149 -2.785 6.201 10 HA PRO 50 HA PRO 50 50.152 -7.205 6.379 11 1HB PRO 50 1HB PRO 50 47.898 -5.784 7.164 12 2HB PRO 50 2HB PRO 50 49.325 -6.073 8.175 13 1HG PRO 50 1HG PRO 50 48.532 -3.569 6.752 14 2HG PRO 50 2HG PRO 50 49.487 -3.771 8.221 15 1HD PRO 50 1HD PRO 50 50.550 -3.201 5.702 16 2HD PRO 50 2HD PRO 50 51.451 -3.888 7.059 17 H GLY 51 H GLY 51 47.755 -7.997 5.795 18 1HA GLY 51 1HA GLY 51 47.341 -7.195 2.939 19 2HA GLY 51 2HA GLY 51 47.244 -8.865 3.479 20 H LEU 52 H LEU 52 45.234 -9.123 2.644 21 HA LEU 52 HA LEU 52 42.947 -8.482 2.204 22 1HB LEU 52 1HB LEU 52 42.995 -10.630 3.269 23 2HB LEU 52 2HB LEU 52 43.216 -9.893 4.859 24 HG LEU 52 HG LEU 52 40.810 -10.682 4.039 25 1HD1 LEU 52 1HD1 LEU 52 41.689 -9.260 6.107 26 2HD1 LEU 52 2HD1 LEU 52 40.713 -8.032 5.304 27 3HD1 LEU 52 3HD1 LEU 52 39.976 -9.554 5.801 28 1HD2 LEU 52 1HD2 LEU 52 41.249 -8.808 2.113 29 2HD2 LEU 52 2HD2 LEU 52 39.667 -9.325 2.648 30 3HD2 LEU 52 3HD2 LEU 52 40.383 -7.866 3.324 31 H CYS 53 H CYS 53 43.211 -8.142 5.598 32 HA CYS 53 HA CYS 53 43.103 -5.603 6.301 33 1HB CYS 53 1HB CYS 53 41.468 -5.069 4.592 34 2HB CYS 53 2HB CYS 53 40.329 -6.229 5.257 35 HA PRO 54 HA PRO 54 42.127 -7.792 10.020 36 1HB PRO 54 1HB PRO 54 42.747 -5.731 11.729 37 2HB PRO 54 2HB PRO 54 43.964 -6.759 10.950 38 1HG PRO 54 1HG PRO 54 43.217 -3.941 10.334 39 2HG PRO 54 2HG PRO 54 44.744 -4.790 10.033 40 1HD PRO 54 1HD PRO 54 42.725 -4.241 8.112 41 2HD PRO 54 2HD PRO 54 44.119 -5.321 7.896 42 H ARG 55 H ARG 55 40.233 -5.652 8.543 43 HA ARG 55 HA ARG 55 38.341 -5.415 10.837 44 1HB ARG 55 1HB ARG 55 39.453 -3.285 9.583 45 2HB ARG 55 2HB ARG 55 38.063 -3.556 8.531 46 1HG ARG 55 1HG ARG 55 37.110 -2.170 10.131 47 2HG ARG 55 2HG ARG 55 36.769 -3.752 10.834 48 1HD ARG 55 1HD ARG 55 39.418 -2.702 11.549 49 2HD ARG 55 2HD ARG 55 38.086 -1.703 12.129 50 HE ARG 55 HE ARG 55 38.458 -4.588 12.814 51 1HH1 ARG 55 1HH1 ARG 55 38.454 -1.662 14.264 52 2HH1 ARG 55 2HH1 ARG 55 37.152 -1.963 15.365 53 1HH2 ARG 55 1HH2 ARG 55 36.180 -4.912 13.824 54 2HH2 ARG 55 2HH2 ARG 55 35.863 -3.803 15.114 55 H CYS 56 H CYS 56 38.485 -5.456 7.248 56 HA CYS 56 HA CYS 56 35.915 -6.961 7.311 57 1HB CYS 56 1HB CYS 56 35.463 -6.127 5.093 58 2HB CYS 56 2HB CYS 56 35.977 -4.748 6.059 59 H LYS 57 H LYS 57 36.515 -7.637 4.431 60 HA LYS 57 HA LYS 57 38.784 -9.321 4.378 61 1HB LYS 57 1HB LYS 57 37.391 -11.445 4.066 62 2HB LYS 57 2HB LYS 57 37.494 -10.833 5.721 63 1HG LYS 57 1HG LYS 57 35.325 -9.455 4.812 64 2HG LYS 57 2HG LYS 57 35.163 -10.954 3.898 65 1HD LYS 57 1HD LYS 57 35.890 -11.539 6.632 66 2HD LYS 57 2HD LYS 57 34.451 -10.520 6.595 67 1HE LYS 57 1HE LYS 57 34.027 -12.376 4.549 68 2HE LYS 57 2HE LYS 57 34.741 -13.324 5.855 69 1HZ LYS 57 1HZ LYS 57 32.515 -11.424 6.302 70 2HZ LYS 57 2HZ LYS 57 32.251 -13.051 5.903 71 3HZ LYS 57 3HZ LYS 57 33.071 -12.652 7.338 72 H ARG 58 H ARG 58 37.398 -7.192 2.866 73 HA ARG 58 HA ARG 58 37.092 -8.659 0.277 74 1HB ARG 58 1HB ARG 58 35.132 -7.135 1.605 75 2HB ARG 58 2HB ARG 58 35.729 -6.101 0.305 76 1HG ARG 58 1HG ARG 58 35.521 -8.564 -0.931 77 2HG ARG 58 2HG ARG 58 34.131 -8.560 0.154 78 1HD ARG 58 1HD ARG 58 33.074 -6.909 -0.999 79 2HD ARG 58 2HD ARG 58 34.571 -6.026 -1.298 80 HE ARG 58 HE ARG 58 34.838 -8.210 -2.936 81 1HH1 ARG 58 1HH1 ARG 58 31.748 -7.149 -2.306 82 2HH1 ARG 58 2HH1 ARG 58 31.371 -6.682 -3.930 83 1HH2 ARG 58 1HH2 ARG 58 34.620 -7.075 -5.078 84 2HH2 ARG 58 2HH2 ARG 58 32.998 -6.640 -5.501 85 H GLY 59 H GLY 59 39.517 -7.486 1.382 86 1HA GLY 59 1HA GLY 59 40.295 -5.880 -0.892 87 2HA GLY 59 2HA GLY 59 40.107 -4.889 0.554 88 H LYS 60 H LYS 60 42.185 -4.433 0.996 89 HA LYS 60 HA LYS 60 43.889 -6.484 2.215 90 1HB LYS 60 1HB LYS 60 44.207 -6.228 -0.502 91 2HB LYS 60 2HB LYS 60 45.301 -4.967 0.071 92 1HG LYS 60 1HG LYS 60 46.834 -6.544 0.532 93 2HG LYS 60 2HG LYS 60 45.730 -7.241 1.712 94 1HD LYS 60 1HD LYS 60 46.182 -9.016 0.204 95 2HD LYS 60 2HD LYS 60 44.599 -8.408 -0.283 96 1HE LYS 60 1HE LYS 60 46.053 -6.824 -1.836 97 2HE LYS 60 2HE LYS 60 47.247 -8.109 -1.650 98 1HZ LYS 60 1HZ LYS 60 44.441 -8.638 -2.437 99 2HZ LYS 60 2HZ LYS 60 45.668 -8.339 -3.574 100 3HZ LYS 60 3HZ LYS 60 45.774 -9.686 -2.548 101 H HIS 61 H HIS 61 43.368 -4.843 3.958 102 HA HIS 61 HA HIS 61 45.407 -2.781 4.087 103 1HB HIS 61 1HB HIS 61 43.691 -0.927 4.216 104 2HB HIS 61 2HB HIS 61 44.078 -1.524 2.589 105 HD1 HIS 61 HD1 HIS 61 42.170 -2.579 1.251 106 HD2 HIS 61 HD2 HIS 61 41.203 -2.149 5.283 107 HE1 HIS 61 HE1 HIS 61 39.730 -3.259 1.483 108 H TRP 62 H TRP 62 44.598 -1.044 5.794 109 HA TRP 62 HA TRP 62 43.754 -2.684 8.114 110 1HB TRP 62 1HB TRP 62 44.987 -0.166 8.807 111 2HB TRP 62 2HB TRP 62 45.526 -1.806 9.126 112 HD1 TRP 62 HD1 TRP 62 46.877 1.073 7.644 113 HE1 TRP 62 HE1 TRP 62 48.565 0.575 5.760 114 HE3 TRP 62 HE3 TRP 62 45.705 -3.790 6.702 115 HZ2 TRP 62 HZ2 TRP 62 49.303 -1.623 4.048 116 HZ3 TRP 62 HZ3 TRP 62 46.851 -5.035 4.917 117 HH2 TRP 62 HH2 TRP 62 48.660 -3.972 3.601 118 H ALA 63 H ALA 63 42.526 -1.616 9.818 119 HA ALA 63 HA ALA 63 40.091 -0.573 9.139 120 1HB ALA 63 1HB ALA 63 41.794 0.061 11.554 121 2HB ALA 63 2HB ALA 63 40.123 0.602 11.405 122 3HB ALA 63 3HB ALA 63 40.494 -1.122 11.428 123 H ASN 64 H ASN 64 42.718 1.609 10.251 124 HA ASN 64 HA ASN 64 41.608 4.057 9.669 125 1HB ASN 64 1HB ASN 64 44.441 3.153 9.070 126 2HB ASN 64 2HB ASN 64 43.918 4.842 9.059 127 1HD2 ASN 64 1HD2 ASN 64 42.536 5.346 11.239 128 2HD2 ASN 64 2HD2 ASN 64 43.287 4.816 12.666 129 H GLU 65 H GLU 65 43.392 2.078 7.287 130 HA GLU 65 HA GLU 65 42.078 3.659 5.128 131 1HB GLU 65 1HB GLU 65 44.468 3.587 4.855 132 2HB GLU 65 2HB GLU 65 44.512 1.846 5.155 133 1HG GLU 65 1HG GLU 65 43.724 1.326 3.046 134 2HG GLU 65 2HG GLU 65 42.815 2.830 2.897 135 H CYS 66 H CYS 66 40.229 2.129 6.214 136 HA CYS 66 HA CYS 66 40.070 -0.258 4.426 137 1HB CYS 66 1HB CYS 66 40.405 -1.166 6.613 138 2HB CYS 66 2HB CYS 66 39.289 -0.010 7.338 139 H LYS 67 H LYS 67 38.017 -0.777 3.662 140 HA LYS 67 HA LYS 67 35.677 0.804 4.368 141 1HB LYS 67 1HB LYS 67 35.308 1.566 1.980 142 2HB LYS 67 2HB LYS 67 36.638 2.386 2.794 143 1HG LYS 67 1HG LYS 67 38.228 0.780 1.741 144 2HG LYS 67 2HG LYS 67 36.878 0.064 0.859 145 1HD LYS 67 1HD LYS 67 36.431 2.578 0.148 146 2HD LYS 67 2HD LYS 67 38.145 2.759 0.520 147 1HE LYS 67 1HE LYS 67 38.754 1.679 -1.364 148 2HE LYS 67 2HE LYS 67 37.640 0.351 -1.039 149 1HZ LYS 67 1HZ LYS 67 35.894 2.168 -1.735 150 2HZ LYS 67 2HZ LYS 67 37.221 2.793 -2.590 151 3HZ LYS 67 3HZ LYS 67 36.686 1.214 -2.895 152 H SER 68 H SER 68 33.807 -0.288 3.775 153 HA SER 68 HA SER 68 34.077 -2.676 2.064 154 1HB SER 68 1HB SER 68 34.204 -2.612 4.967 155 2HB SER 68 2HB SER 68 32.912 -3.685 4.400 156 HG SER 68 HG SER 68 34.396 -4.868 3.296 157 H LYS 69 H LYS 69 32.493 -0.955 1.067 158 HA LYS 69 HA LYS 69 29.883 -0.651 2.258 159 1HB LYS 69 1HB LYS 69 31.143 -0.034 -0.355 160 2HB LYS 69 2HB LYS 69 29.402 -0.313 -0.401 161 1HG LYS 69 1HG LYS 69 29.461 1.961 0.079 162 2HG LYS 69 2HG LYS 69 29.401 1.281 1.706 163 1HD LYS 69 1HD LYS 69 31.816 1.475 1.929 164 2HD LYS 69 2HD LYS 69 31.961 2.014 0.256 165 1HE LYS 69 1HE LYS 69 30.246 3.505 2.243 166 2HE LYS 69 2HE LYS 69 31.970 3.836 2.085 167 1HZ LYS 69 1HZ LYS 69 31.235 3.871 -0.464 168 2HZ LYS 69 2HZ LYS 69 29.792 4.411 0.251 169 3HZ LYS 69 3HZ LYS 69 31.242 5.255 0.516 170 H THR 70 H THR 70 29.255 -2.775 2.860 171 HA THR 70 HA THR 70 28.577 -4.561 0.561 172 HB THR 70 HB THR 70 29.831 -5.079 3.204 173 HG1 THR 70 HG1 THR 70 30.436 -5.453 0.784 174 1HG2 THR 70 1HG2 THR 70 27.755 -6.964 2.046 175 2HG2 THR 70 2HG2 THR 70 28.915 -7.390 3.298 176 3HG2 THR 70 3HG2 THR 70 27.685 -6.172 3.619 177 H ASP 71 H ASP 71 27.592 -3.649 3.875 178 HA ASP 71 HA ASP 71 24.759 -3.961 2.950 179 1HB ASP 71 1HB ASP 71 26.123 -5.237 5.203 180 2HB ASP 71 2HB ASP 71 24.656 -4.390 5.686 181 H ASN 72 H ASN 72 25.700 -2.954 6.181 182 HA ASN 72 HA ASN 72 25.207 -0.113 5.455 183 1HB ASN 72 1HB ASN 72 23.625 0.171 7.289 184 2HB ASN 72 2HB ASN 72 23.047 -1.123 6.231 185 1HD2 ASN 72 1HD2 ASN 72 23.330 -0.416 9.441 186 2HD2 ASN 72 2HD2 ASN 72 23.543 -1.978 10.069 187 H GLN 73 H GLN 73 27.431 -2.019 6.478 188 HA GLN 73 HA GLN 73 28.391 -0.142 8.577 189 1HB GLN 73 1HB GLN 73 27.405 -2.504 9.363 190 2HB GLN 73 2HB GLN 73 29.024 -3.045 8.906 191 1HG GLN 73 1HG GLN 73 29.850 -2.209 10.819 192 2HG GLN 73 2HG GLN 73 29.287 -0.601 10.363 193 1HE2 GLN 73 1HE2 GLN 73 27.229 0.136 11.227 194 2HE2 GLN 73 2HE2 GLN 73 26.440 -0.698 12.489 195 H GLY 74 H GLY 74 30.710 -2.160 8.860 196 1HA GLY 74 1HA GLY 74 32.022 -1.546 6.244 197 2HA GLY 74 2HA GLY 74 32.860 -1.300 7.780 198 H ASN 75 H ASN 75 31.111 -3.928 8.458 199 HA ASN 75 HA ASN 75 33.103 -5.804 7.256 200 1HB ASN 75 1HB ASN 75 32.010 -5.975 10.031 201 2HB ASN 75 2HB ASN 75 33.394 -6.850 9.373 202 1HD2 ASN 75 1HD2 ASN 75 32.281 -3.493 10.001 203 2HD2 ASN 75 2HD2 ASN 75 33.832 -2.876 10.356 204 HA PRO 76 HA PRO 76 28.776 -7.782 7.473 205 1HB PRO 76 1HB PRO 76 27.390 -6.725 5.367 206 2HB PRO 76 2HB PRO 76 27.306 -6.033 6.999 207 1HG PRO 76 1HG PRO 76 28.668 -4.962 4.594 208 2HG PRO 76 2HG PRO 76 28.137 -4.109 6.049 209 1HD PRO 76 1HD PRO 76 30.817 -4.976 5.416 210 2HD PRO 76 2HD PRO 76 30.239 -4.202 6.901 211 H ILE 77 H ILE 77 31.377 -7.518 5.729 212 HA ILE 77 HA ILE 77 31.095 -8.275 3.152 213 HB ILE 77 HB ILE 77 33.102 -9.777 4.802 214 1HG1 ILE 77 1HG1 ILE 77 33.205 -7.627 5.856 215 2HG1 ILE 77 2HG1 ILE 77 34.504 -7.638 4.659 216 1HG2 ILE 77 1HG2 ILE 77 33.125 -8.353 2.126 217 2HG2 ILE 77 2HG2 ILE 77 34.543 -9.104 2.859 218 3HG2 ILE 77 3HG2 ILE 77 33.158 -10.096 2.399 219 1HD1 ILE 77 1HD1 ILE 77 31.753 -6.513 4.065 220 2HD1 ILE 77 2HD1 ILE 77 33.063 -5.529 4.712 221 3HD1 ILE 77 3HD1 ILE 77 33.232 -6.297 3.134 222 HA PRO 78 HA PRO 78 29.063 -12.214 3.272 223 1HB PRO 78 1HB PRO 78 29.326 -12.754 0.586 224 2HB PRO 78 2HB PRO 78 28.132 -11.620 1.246 225 1HG PRO 78 1HG PRO 78 30.648 -11.046 -0.237 226 2HG PRO 78 2HG PRO 78 29.192 -10.052 -0.069 227 1HD PRO 78 1HD PRO 78 31.638 -9.715 1.345 228 2HD PRO 78 2HD PRO 78 30.102 -8.885 1.674 229 HA PRO 79 HA PRO 79 32.182 -15.339 3.154 230 1HB PRO 79 1HB PRO 79 30.860 -17.479 2.041 231 2HB PRO 79 2HB PRO 79 30.567 -16.895 3.691 232 1HG PRO 79 1HG PRO 79 28.874 -16.570 1.257 233 2HG PRO 79 2HG PRO 79 28.396 -16.591 2.963 234 1HD PRO 79 1HD PRO 79 28.673 -14.284 1.351 235 2HD PRO 79 2HD PRO 79 28.530 -14.308 3.121 236 H HIS 80 H HIS 80 31.179 -13.910 0.337 237 HA HIS 80 HA HIS 80 32.540 -15.699 -1.552 238 1HB HIS 80 1HB HIS 80 30.645 -14.493 -2.421 239 2HB HIS 80 2HB HIS 80 31.290 -12.954 -1.846 240 HD1 HIS 80 HD1 HIS 80 33.777 -15.250 -3.313 241 HD2 HIS 80 HD2 HIS 80 31.349 -12.144 -4.666 242 HE1 HIS 80 HE1 HIS 80 34.689 -14.561 -5.572
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