NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
15257 | 1xut | 6384 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 64 1H GLY 64 1.245 15.858 -1.124 2 2H GLY 64 2H GLY 64 2.455 15.190 -2.099 3 3H GLY 64 3H GLY 64 2.812 16.494 -1.083 4 1HA GLY 64 1HA GLY 64 3.012 15.233 0.751 5 2HA GLY 64 2HA GLY 64 1.717 14.159 0.241 6 H SER 65 H SER 65 2.188 12.407 -1.124 7 HA SER 65 HA SER 65 4.761 11.264 -0.717 8 1HB SER 65 1HB SER 65 3.518 9.768 -2.721 9 2HB SER 65 2HB SER 65 3.460 9.453 -0.988 10 HG SER 65 HG SER 65 1.592 10.814 -2.605 11 HA PRO 66 HA PRO 66 6.826 12.396 -4.450 12 1HB PRO 66 1HB PRO 66 8.229 10.220 -5.127 13 2HB PRO 66 2HB PRO 66 8.545 11.087 -3.620 14 1HG PRO 66 1HG PRO 66 7.031 8.553 -4.066 15 2HG PRO 66 2HG PRO 66 8.148 8.976 -2.758 16 1HD PRO 66 1HD PRO 66 5.389 9.076 -2.577 17 2HD PRO 66 2HD PRO 66 6.505 9.977 -1.536 18 H TRP 67 H TRP 67 4.207 10.416 -4.672 19 HA TRP 67 HA TRP 67 4.492 9.457 -7.355 20 1HB TRP 67 1HB TRP 67 1.840 9.819 -5.988 21 2HB TRP 67 2HB TRP 67 2.339 8.567 -7.122 22 HD1 TRP 67 HD1 TRP 67 1.195 8.428 -3.908 23 HE1 TRP 67 HE1 TRP 67 2.437 6.773 -2.376 24 HE3 TRP 67 HE3 TRP 67 5.488 7.866 -6.628 25 HZ2 TRP 67 HZ2 TRP 67 4.909 5.410 -2.329 26 HZ3 TRP 67 HZ3 TRP 67 7.241 6.369 -5.769 27 HH2 TRP 67 HH2 TRP 67 6.956 5.167 -3.664 28 H SER 68 H SER 68 4.996 11.234 -8.633 29 HA SER 68 HA SER 68 2.708 12.905 -9.322 30 1HB SER 68 1HB SER 68 5.185 13.879 -8.055 31 2HB SER 68 2HB SER 68 4.673 14.785 -9.479 32 HG SER 68 HG SER 68 3.786 15.464 -7.375 33 H LEU 69 H LEU 69 5.916 11.700 -10.103 34 HA LEU 69 HA LEU 69 5.738 12.660 -12.838 35 1HB LEU 69 1HB LEU 69 7.849 10.931 -11.548 36 2HB LEU 69 2HB LEU 69 7.963 11.718 -13.110 37 HG LEU 69 HG LEU 69 7.663 13.920 -11.779 38 1HD1 LEU 69 1HD1 LEU 69 8.008 11.912 -9.639 39 2HD1 LEU 69 2HD1 LEU 69 8.929 13.407 -9.479 40 3HD1 LEU 69 3HD1 LEU 69 7.172 13.465 -9.620 41 1HD2 LEU 69 1HD2 LEU 69 9.803 12.674 -12.807 42 2HD2 LEU 69 2HD2 LEU 69 9.898 14.216 -11.957 43 3HD2 LEU 69 3HD2 LEU 69 10.276 12.717 -11.109 44 H SER 70 H SER 70 3.939 10.488 -11.643 45 HA SER 70 HA SER 70 4.635 8.073 -12.992 46 1HB SER 70 1HB SER 70 3.094 8.398 -10.928 47 2HB SER 70 2HB SER 70 1.840 8.755 -12.115 48 HG SER 70 HG SER 70 2.683 6.387 -11.321 49 H CYS 71 H CYS 71 3.146 7.055 -14.611 50 HA CYS 71 HA CYS 71 1.958 9.013 -16.447 51 1HB CYS 71 1HB CYS 71 3.013 7.991 -18.367 52 2HB CYS 71 2HB CYS 71 4.262 8.455 -17.217 53 H ARG 72 H ARG 72 0.163 8.310 -17.557 54 HA ARG 72 HA ARG 72 -0.771 5.593 -16.896 55 1HB ARG 72 1HB ARG 72 -2.045 8.198 -16.613 56 2HB ARG 72 2HB ARG 72 -3.034 7.070 -17.529 57 1HG ARG 72 1HG ARG 72 -2.917 5.463 -15.704 58 2HG ARG 72 2HG ARG 72 -1.893 6.570 -14.788 59 1HD ARG 72 1HD ARG 72 -4.730 7.083 -15.675 60 2HD ARG 72 2HD ARG 72 -4.208 6.697 -14.034 61 HE ARG 72 HE ARG 72 -2.775 8.893 -14.552 62 1HH1 ARG 72 1HH1 ARG 72 -6.169 8.209 -15.010 63 2HH1 ARG 72 2HH1 ARG 72 -6.656 9.856 -14.797 64 1HH2 ARG 72 1HH2 ARG 72 -3.418 11.058 -14.268 65 2HH2 ARG 72 2HH2 ARG 72 -5.096 11.472 -14.376 66 H LYS 73 H LYS 73 -0.132 4.547 -18.743 67 HA LYS 73 HA LYS 73 -0.936 5.639 -21.331 68 1HB LYS 73 1HB LYS 73 1.194 3.941 -20.407 69 2HB LYS 73 2HB LYS 73 0.291 3.114 -21.669 70 1HG LYS 73 1HG LYS 73 1.332 5.916 -21.973 71 2HG LYS 73 2HG LYS 73 2.256 4.484 -22.432 72 1HD LYS 73 1HD LYS 73 0.469 3.826 -23.971 73 2HD LYS 73 2HD LYS 73 -0.456 5.256 -23.510 74 1HE LYS 73 1HE LYS 73 0.543 6.214 -25.276 75 2HE LYS 73 2HE LYS 73 1.935 6.356 -24.203 76 1HZ LYS 73 1HZ LYS 73 2.437 3.977 -25.093 77 2HZ LYS 73 2HZ LYS 73 1.463 4.457 -26.391 78 3HZ LYS 73 3HZ LYS 73 2.859 5.334 -26.011 79 H GLU 74 H GLU 74 -1.634 3.024 -19.124 80 HA GLU 74 HA GLU 74 -3.804 2.141 -20.912 81 1HB GLU 74 1HB GLU 74 -1.679 0.628 -19.898 82 2HB GLU 74 2HB GLU 74 -3.064 0.173 -18.915 83 1HG GLU 74 1HG GLU 74 -4.322 -0.363 -20.942 84 2HG GLU 74 2HG GLU 74 -2.927 0.085 -21.921 85 H GLN 75 H GLN 75 -5.141 0.504 -19.110 86 HA GLN 75 HA GLN 75 -6.530 2.481 -17.544 87 1HB GLN 75 1HB GLN 75 -6.962 -0.399 -18.213 88 2HB GLN 75 2HB GLN 75 -7.817 0.289 -16.840 89 1HG GLN 75 1HG GLN 75 -8.015 2.006 -19.146 90 2HG GLN 75 2HG GLN 75 -8.571 0.374 -19.515 91 1HE2 GLN 75 1HE2 GLN 75 -10.022 -0.568 -17.758 92 2HE2 GLN 75 2HE2 GLN 75 -11.247 0.482 -17.144 93 H GLY 76 H GLY 76 -4.471 -0.317 -16.912 94 1HA GLY 76 1HA GLY 76 -4.476 0.424 -14.051 95 2HA GLY 76 2HA GLY 76 -4.230 -1.213 -14.639 96 H LYS 77 H LYS 77 -2.619 0.975 -13.092 97 HA LYS 77 HA LYS 77 -0.065 0.120 -14.100 98 1HB LYS 77 1HB LYS 77 -1.069 2.892 -14.573 99 2HB LYS 77 2HB LYS 77 0.632 2.669 -14.190 100 1HG LYS 77 1HG LYS 77 0.558 0.901 -16.091 101 2HG LYS 77 2HG LYS 77 -0.906 1.757 -16.579 102 1HD LYS 77 1HD LYS 77 0.250 3.741 -16.994 103 2HD LYS 77 2HD LYS 77 1.641 3.239 -16.031 104 1HE LYS 77 1HE LYS 77 2.075 1.462 -17.732 105 2HE LYS 77 2HE LYS 77 0.797 2.169 -18.720 106 1HZ LYS 77 1HZ LYS 77 2.125 4.306 -18.538 107 2HZ LYS 77 2HZ LYS 77 3.402 3.352 -17.972 108 3HZ LYS 77 3HZ LYS 77 2.771 3.089 -19.520 109 H PHE 78 H PHE 78 1.696 1.611 -12.866 110 HA PHE 78 HA PHE 78 0.925 2.508 -10.274 111 1HB PHE 78 1HB PHE 78 1.693 0.788 -8.896 112 2HB PHE 78 2HB PHE 78 0.856 -0.079 -10.176 113 HD1 PHE 78 HD1 PHE 78 2.455 -0.703 -12.237 114 HD2 PHE 78 HD2 PHE 78 3.730 -0.010 -8.237 115 HE1 PHE 78 HE1 PHE 78 4.479 -2.032 -12.656 116 HE2 PHE 78 HE2 PHE 78 5.760 -1.336 -8.650 117 HZ PHE 78 HZ PHE 78 6.136 -2.350 -10.862 118 H TYR 79 H TYR 79 2.893 2.987 -8.901 119 HA TYR 79 HA TYR 79 5.116 3.790 -10.660 120 1HB TYR 79 1HB TYR 79 3.807 5.664 -9.673 121 2HB TYR 79 2HB TYR 79 4.243 5.086 -8.069 122 HD1 TYR 79 HD1 TYR 79 6.822 4.853 -7.627 123 HD2 TYR 79 HD2 TYR 79 5.128 7.278 -10.685 124 HE1 TYR 79 HE1 TYR 79 8.887 6.186 -7.705 125 HE2 TYR 79 HE2 TYR 79 7.188 8.617 -10.772 126 HH TYR 79 HH TYR 79 9.570 8.371 -10.207 127 H ASP 80 H ASP 80 6.895 2.640 -10.372 128 HA ASP 80 HA ASP 80 7.313 1.194 -7.882 129 1HB ASP 80 1HB ASP 80 7.765 0.464 -10.440 130 2HB ASP 80 2HB ASP 80 9.360 1.075 -10.022 131 H HIS 81 H HIS 81 8.102 2.407 -6.289 132 HA HIS 81 HA HIS 81 9.558 4.735 -6.447 133 1HB HIS 81 1HB HIS 81 8.482 3.821 -4.396 134 2HB HIS 81 2HB HIS 81 9.801 2.664 -4.259 135 HD1 HIS 81 HD1 HIS 81 8.898 6.182 -3.576 136 HD2 HIS 81 HD2 HIS 81 12.314 3.816 -3.548 137 HE1 HIS 81 HE1 HIS 81 10.622 7.507 -2.314 138 HE2 HIS 81 HE2 HIS 81 12.656 6.022 -2.241 139 H LEU 82 H LEU 82 10.962 1.530 -5.700 140 HA LEU 82 HA LEU 82 13.611 2.189 -5.673 141 1HB LEU 82 1HB LEU 82 13.993 -0.165 -6.608 142 2HB LEU 82 2HB LEU 82 13.123 -0.006 -5.094 143 HG LEU 82 HG LEU 82 11.419 -0.074 -7.496 144 1HD1 LEU 82 1HD1 LEU 82 13.145 -2.403 -6.701 145 2HD1 LEU 82 2HD1 LEU 82 11.619 -2.597 -7.564 146 3HD1 LEU 82 3HD1 LEU 82 12.939 -1.687 -8.299 147 1HD2 LEU 82 1HD2 LEU 82 11.373 -0.884 -4.674 148 2HD2 LEU 82 2HD2 LEU 82 10.077 -0.282 -5.706 149 3HD2 LEU 82 3HD2 LEU 82 10.541 -1.981 -5.777 150 H LEU 83 H LEU 83 11.537 1.973 -8.462 151 HA LEU 83 HA LEU 83 13.804 2.180 -10.291 152 1HB LEU 83 1HB LEU 83 10.842 1.983 -10.833 153 2HB LEU 83 2HB LEU 83 12.088 2.013 -12.064 154 HG LEU 83 HG LEU 83 11.647 -0.150 -10.007 155 1HD1 LEU 83 1HD1 LEU 83 11.267 -0.031 -12.990 156 2HD1 LEU 83 2HD1 LEU 83 11.276 -1.529 -12.060 157 3HD1 LEU 83 3HD1 LEU 83 10.039 -0.310 -11.755 158 1HD2 LEU 83 1HD2 LEU 83 13.951 0.500 -11.726 159 2HD2 LEU 83 2HD2 LEU 83 13.881 -0.392 -10.207 160 3HD2 LEU 83 3HD2 LEU 83 13.442 -1.188 -11.718 161 H ARG 84 H ARG 84 11.266 4.105 -8.899 162 HA ARG 84 HA ARG 84 10.896 6.350 -8.889 163 1HB ARG 84 1HB ARG 84 13.588 6.197 -9.147 164 2HB ARG 84 2HB ARG 84 13.180 7.037 -10.637 165 1HG ARG 84 1HG ARG 84 12.245 8.854 -9.489 166 2HG ARG 84 2HG ARG 84 12.164 7.959 -7.970 167 1HD ARG 84 1HD ARG 84 14.466 8.115 -7.620 168 2HD ARG 84 2HD ARG 84 14.790 8.501 -9.310 169 HE ARG 84 HE ARG 84 14.058 10.334 -7.216 170 1HH1 ARG 84 1HH1 ARG 84 14.107 9.791 -10.664 171 2HH1 ARG 84 2HH1 ARG 84 14.075 11.477 -11.056 172 1HH2 ARG 84 1HH2 ARG 84 14.014 12.553 -7.731 173 2HH2 ARG 84 2HH2 ARG 84 14.023 13.045 -9.391 174 H ASP 85 H ASP 85 10.411 4.416 -11.313 175 HA ASP 85 HA ASP 85 9.567 6.538 -13.176 176 1HB ASP 85 1HB ASP 85 10.710 3.809 -13.695 177 2HB ASP 85 2HB ASP 85 9.659 4.571 -14.886 178 H CYS 86 H CYS 86 7.823 5.426 -14.750 179 HA CYS 86 HA CYS 86 5.745 4.406 -12.942 180 1HB CYS 86 1HB CYS 86 4.174 5.131 -14.782 181 2HB CYS 86 2HB CYS 86 5.043 6.431 -13.978 182 H ILE 87 H ILE 87 5.599 2.276 -12.981 183 HA ILE 87 HA ILE 87 6.019 0.862 -15.523 184 HB ILE 87 HB ILE 87 6.059 -0.266 -12.721 185 1HG1 ILE 87 1HG1 ILE 87 8.542 -0.482 -13.215 186 2HG1 ILE 87 2HG1 ILE 87 8.277 0.617 -14.563 187 1HG2 ILE 87 1HG2 ILE 87 5.431 -1.894 -14.430 188 2HG2 ILE 87 2HG2 ILE 87 6.883 -1.491 -15.348 189 3HG2 ILE 87 3HG2 ILE 87 7.025 -2.246 -13.760 190 1HD1 ILE 87 1HD1 ILE 87 7.213 1.578 -12.020 191 2HD1 ILE 87 2HD1 ILE 87 8.963 1.359 -12.042 192 3HD1 ILE 87 3HD1 ILE 87 8.191 2.405 -13.233 193 H SER 88 H SER 88 4.585 -0.779 -16.167 194 HA SER 88 HA SER 88 1.846 -0.341 -15.279 195 1HB SER 88 1HB SER 88 1.698 -2.206 -17.295 196 2HB SER 88 2HB SER 88 1.598 -0.460 -17.521 197 HG SER 88 HG SER 88 3.899 -2.102 -17.748 198 H CYS 89 H CYS 89 0.413 -2.336 -15.180 199 HA CYS 89 HA CYS 89 1.792 -4.385 -13.580 200 1HB CYS 89 1HB CYS 89 -1.054 -3.381 -13.527 201 2HB CYS 89 2HB CYS 89 -0.550 -4.848 -12.697 202 H ALA 90 H ALA 90 -0.325 -3.849 -16.303 203 HA ALA 90 HA ALA 90 -1.036 -6.596 -16.668 204 1HB ALA 90 1HB ALA 90 -2.091 -4.299 -17.573 205 2HB ALA 90 2HB ALA 90 -1.153 -4.777 -18.988 206 3HB ALA 90 3HB ALA 90 -2.377 -5.864 -18.332 207 H SER 91 H SER 91 1.541 -4.516 -17.779 208 HA SER 91 HA SER 91 2.456 -6.251 -19.855 209 1HB SER 91 1HB SER 91 3.029 -3.637 -18.990 210 2HB SER 91 2HB SER 91 4.538 -4.534 -18.818 211 HG SER 91 HG SER 91 2.956 -4.211 -21.144 212 H ILE 92 H ILE 92 2.941 -6.085 -16.428 213 HA ILE 92 HA ILE 92 5.110 -8.067 -16.621 214 HB ILE 92 HB ILE 92 5.468 -7.482 -14.163 215 1HG1 ILE 92 1HG1 ILE 92 3.844 -5.060 -14.971 216 2HG1 ILE 92 2HG1 ILE 92 3.292 -6.322 -13.874 217 1HG2 ILE 92 1HG2 ILE 92 6.603 -6.546 -16.419 218 2HG2 ILE 92 2HG2 ILE 92 6.053 -5.036 -15.695 219 3HG2 ILE 92 3HG2 ILE 92 7.134 -6.103 -14.797 220 1HD1 ILE 92 1HD1 ILE 92 5.687 -5.546 -12.777 221 2HD1 ILE 92 2HD1 ILE 92 5.002 -4.035 -13.375 222 3HD1 ILE 92 3HD1 ILE 92 4.084 -5.035 -12.249 223 H CYS 93 H CYS 93 2.172 -8.576 -16.809 224 HA CYS 93 HA CYS 93 1.205 -9.702 -14.430 225 1HB CYS 93 1HB CYS 93 0.515 -9.935 -17.310 226 2HB CYS 93 2HB CYS 93 -0.078 -11.203 -16.244 227 H GLY 94 H GLY 94 1.788 -11.442 -13.335 228 1HA GLY 94 1HA GLY 94 2.248 -13.791 -13.210 229 2HA GLY 94 2HA GLY 94 3.051 -13.678 -14.771 230 H GLN 95 H GLN 95 4.460 -11.201 -13.950 231 HA GLN 95 HA GLN 95 6.270 -12.216 -11.883 232 1HB GLN 95 1HB GLN 95 7.133 -11.268 -14.621 233 2HB GLN 95 2HB GLN 95 8.229 -11.565 -13.278 234 1HG GLN 95 1HG GLN 95 8.201 -13.776 -13.583 235 2HG GLN 95 2HG GLN 95 6.465 -13.812 -13.889 236 1HE2 GLN 95 1HE2 GLN 95 9.162 -12.198 -15.527 237 2HE2 GLN 95 2HE2 GLN 95 8.853 -12.882 -17.083 238 H HIS 96 H HIS 96 4.660 -10.421 -11.064 239 HA HIS 96 HA HIS 96 6.148 -7.886 -11.155 240 1HB HIS 96 1HB HIS 96 3.959 -6.691 -11.005 241 2HB HIS 96 2HB HIS 96 4.187 -7.556 -12.522 242 HD1 HIS 96 HD1 HIS 96 2.651 -9.565 -12.983 243 HD2 HIS 96 HD2 HIS 96 1.944 -7.713 -9.332 244 HE1 HIS 96 HE1 HIS 96 0.479 -10.518 -12.154 245 HE2 HIS 96 HE2 HIS 96 0.017 -9.303 -9.997 246 HA PRO 97 HA PRO 97 6.148 -7.865 -6.754 247 1HB PRO 97 1HB PRO 97 5.363 -5.267 -6.217 248 2HB PRO 97 2HB PRO 97 7.007 -5.759 -6.633 249 1HG PRO 97 1HG PRO 97 4.881 -4.588 -8.375 250 2HG PRO 97 2HG PRO 97 6.624 -4.261 -8.358 251 1HD PRO 97 1HD PRO 97 5.515 -5.828 -10.226 252 2HD PRO 97 2HD PRO 97 7.122 -6.181 -9.560 253 H LYS 98 H LYS 98 4.695 -6.944 -4.837 254 HA LYS 98 HA LYS 98 2.200 -8.273 -5.063 255 1HB LYS 98 1HB LYS 98 1.792 -7.255 -2.773 256 2HB LYS 98 2HB LYS 98 3.210 -8.283 -2.928 257 1HG LYS 98 1HG LYS 98 4.575 -6.637 -2.333 258 2HG LYS 98 2HG LYS 98 3.847 -5.521 -3.489 259 1HD LYS 98 1HD LYS 98 2.348 -6.171 -0.999 260 2HD LYS 98 2HD LYS 98 3.729 -5.080 -0.889 261 1HE LYS 98 1HE LYS 98 1.844 -4.531 -3.083 262 2HE LYS 98 2HE LYS 98 1.207 -4.289 -1.458 263 1HZ LYS 98 1HZ LYS 98 3.528 -3.052 -1.221 264 2HZ LYS 98 2HZ LYS 98 3.279 -2.817 -2.877 265 3HZ LYS 98 3HZ LYS 98 2.131 -2.267 -1.765 266 H GLN 99 H GLN 99 3.167 -4.903 -5.255 267 HA GLN 99 HA GLN 99 0.715 -3.647 -4.950 268 1HB GLN 99 1HB GLN 99 1.699 -1.883 -6.500 269 2HB GLN 99 2HB GLN 99 2.619 -2.266 -5.052 270 1HG GLN 99 1HG GLN 99 3.585 -4.011 -6.989 271 2HG GLN 99 2HG GLN 99 3.370 -2.474 -7.826 272 1HE2 GLN 99 1HE2 GLN 99 3.866 -0.777 -5.627 273 2HE2 GLN 99 2HE2 GLN 99 5.543 -0.890 -5.233 274 H CYS 100 H CYS 100 2.072 -5.232 -7.792 275 HA CYS 100 HA CYS 100 -0.235 -4.485 -9.407 276 1HB CYS 100 1HB CYS 100 2.364 -5.880 -9.984 277 2HB CYS 100 2HB CYS 100 1.038 -5.929 -11.141 278 H ALA 101 H ALA 101 -0.126 -6.528 -7.051 279 HA ALA 101 HA ALA 101 -0.722 -9.059 -8.167 280 1HB ALA 101 1HB ALA 101 0.039 -8.739 -5.848 281 2HB ALA 101 2HB ALA 101 -1.505 -7.979 -5.464 282 3HB ALA 101 3HB ALA 101 -1.452 -9.675 -5.944 283 H TYR 102 H TYR 102 -2.616 -6.207 -7.603 284 HA TYR 102 HA TYR 102 -5.174 -7.422 -7.590 285 1HB TYR 102 1HB TYR 102 -6.032 -5.158 -7.994 286 2HB TYR 102 2HB TYR 102 -4.806 -5.162 -6.730 287 HD1 TYR 102 HD1 TYR 102 -5.223 -4.559 -10.385 288 HD2 TYR 102 HD2 TYR 102 -3.027 -3.669 -6.852 289 HE1 TYR 102 HE1 TYR 102 -3.975 -2.826 -11.605 290 HE2 TYR 102 HE2 TYR 102 -1.772 -1.934 -8.061 291 HH TYR 102 HH TYR 102 -1.230 -1.195 -10.194 292 H PHE 103 H PHE 103 -2.931 -7.079 -10.092 293 HA PHE 103 HA PHE 103 -4.969 -6.940 -12.176 294 1HB PHE 103 1HB PHE 103 -2.604 -5.749 -12.134 295 2HB PHE 103 2HB PHE 103 -2.070 -7.287 -12.804 296 HD1 PHE 103 HD1 PHE 103 -3.881 -8.147 -14.695 297 HD2 PHE 103 HD2 PHE 103 -2.932 -4.120 -13.699 298 HE1 PHE 103 HE1 PHE 103 -4.614 -7.426 -16.931 299 HE2 PHE 103 HE2 PHE 103 -3.665 -3.390 -15.933 300 HZ PHE 103 HZ PHE 103 -4.506 -5.045 -17.552 301 H CYS 104 H CYS 104 -2.049 -8.960 -11.781 302 HA CYS 104 HA CYS 104 -3.681 -11.288 -12.556 303 1HB CYS 104 1HB CYS 104 -0.875 -10.627 -13.468 304 2HB CYS 104 2HB CYS 104 -1.683 -12.160 -13.767 305 H GLU 105 H GLU 105 -3.830 -11.666 -10.235 306 HA GLU 105 HA GLU 105 -1.824 -13.483 -9.346 307 1HB GLU 105 1HB GLU 105 -1.742 -10.699 -8.401 308 2HB GLU 105 2HB GLU 105 -1.707 -11.903 -7.121 309 1HG GLU 105 1HG GLU 105 0.143 -12.980 -8.655 310 2HG GLU 105 2HG GLU 105 0.286 -11.325 -9.244 311 H ASN 106 H ASN 106 -2.304 -13.744 -6.732 312 HA ASN 106 HA ASN 106 -4.723 -15.077 -6.566 313 1HB ASN 106 1HB ASN 106 -4.369 -15.098 -4.130 314 2HB ASN 106 2HB ASN 106 -2.882 -15.461 -5.002 315 1HD2 ASN 106 1HD2 ASN 106 -1.233 -13.916 -5.066 316 2HD2 ASN 106 2HD2 ASN 106 -1.161 -12.619 -3.928 317 H LYS 107 H LYS 107 -4.004 -11.709 -5.987 318 HA LYS 107 HA LYS 107 -6.249 -10.964 -4.513 319 1HB LYS 107 1HB LYS 107 -4.342 -9.559 -6.308 320 2HB LYS 107 2HB LYS 107 -5.844 -8.729 -5.925 321 1HG LYS 107 1HG LYS 107 -4.551 -9.870 -3.581 322 2HG LYS 107 2HG LYS 107 -3.546 -8.692 -4.426 323 1HD LYS 107 1HD LYS 107 -6.390 -8.230 -3.527 324 2HD LYS 107 2HD LYS 107 -4.951 -7.661 -2.679 325 1HE LYS 107 1HE LYS 107 -5.060 -6.944 -5.522 326 2HE LYS 107 2HE LYS 107 -6.337 -6.232 -4.537 327 1HZ LYS 107 1HZ LYS 107 -4.472 -5.552 -2.980 328 2HZ LYS 107 2HZ LYS 107 -3.411 -5.923 -4.246 329 3HZ LYS 107 3HZ LYS 107 -4.582 -4.718 -4.446 330 H LEU 108 H LEU 108 -5.851 -11.425 -7.983 331 HA LEU 108 HA LEU 108 -8.768 -11.194 -8.265 332 1HB LEU 108 1HB LEU 108 -7.083 -9.296 -9.226 333 2HB LEU 108 2HB LEU 108 -7.164 -10.379 -10.603 334 HG LEU 108 HG LEU 108 -8.811 -8.658 -10.885 335 1HD1 LEU 108 1HD1 LEU 108 -9.336 -11.281 -11.132 336 2HD1 LEU 108 2HD1 LEU 108 -10.616 -10.819 -10.011 337 3HD1 LEU 108 3HD1 LEU 108 -10.478 -10.012 -11.572 338 1HD2 LEU 108 1HD2 LEU 108 -9.840 -9.474 -8.170 339 2HD2 LEU 108 2HD2 LEU 108 -9.049 -7.952 -8.580 340 3HD2 LEU 108 3HD2 LEU 108 -10.630 -8.336 -9.260 341 H ARG 109 H ARG 109 -6.016 -11.980 -10.394 342 HA ARG 109 HA ARG 109 -7.362 -14.526 -11.019 343 1HB ARG 109 1HB ARG 109 -7.076 -12.733 -12.852 344 2HB ARG 109 2HB ARG 109 -5.374 -13.174 -12.825 345 1HG ARG 109 1HG ARG 109 -6.187 -15.575 -13.191 346 2HG ARG 109 2HG ARG 109 -7.730 -14.839 -13.628 347 1HD ARG 109 1HD ARG 109 -6.967 -14.194 -15.625 348 2HD ARG 109 2HD ARG 109 -5.474 -13.554 -14.937 349 HE ARG 109 HE ARG 109 -4.426 -15.455 -15.617 350 1HH1 ARG 109 1HH1 ARG 109 -7.843 -16.126 -15.382 351 2HH1 ARG 109 2HH1 ARG 109 -7.698 -17.732 -16.013 352 1HH2 ARG 109 1HH2 ARG 109 -4.234 -17.567 -16.449 353 2HH2 ARG 109 2HH2 ARG 109 -5.649 -18.551 -16.618 Start of MODEL 2 1 1H GLY 64 1H GLY 64 3.114 16.904 -6.512 2 2H GLY 64 2H GLY 64 2.650 18.490 -6.156 3 3H GLY 64 3H GLY 64 2.327 17.249 -5.055 4 1HA GLY 64 1HA GLY 64 4.804 18.691 -5.565 5 2HA GLY 64 2HA GLY 64 4.163 18.067 -4.051 6 H SER 65 H SER 65 3.769 15.409 -4.678 7 HA SER 65 HA SER 65 6.340 14.342 -4.324 8 1HB SER 65 1HB SER 65 5.303 12.188 -4.373 9 2HB SER 65 2HB SER 65 4.145 13.288 -3.623 10 HG SER 65 HG SER 65 2.822 12.682 -5.124 11 HA PRO 66 HA PRO 66 7.632 13.675 -8.501 12 1HB PRO 66 1HB PRO 66 9.452 11.740 -8.186 13 2HB PRO 66 2HB PRO 66 9.671 13.339 -7.469 14 1HG PRO 66 1HG PRO 66 8.923 10.777 -6.179 15 2HG PRO 66 2HG PRO 66 9.818 12.151 -5.515 16 1HD PRO 66 1HD PRO 66 7.069 11.552 -5.145 17 2HD PRO 66 2HD PRO 66 7.923 13.021 -4.640 18 H TRP 67 H TRP 67 5.254 11.959 -7.519 19 HA TRP 67 HA TRP 67 5.624 9.599 -9.209 20 1HB TRP 67 1HB TRP 67 3.183 10.209 -7.553 21 2HB TRP 67 2HB TRP 67 3.742 8.647 -8.138 22 HD1 TRP 67 HD1 TRP 67 3.184 9.727 -5.003 23 HE1 TRP 67 HE1 TRP 67 5.014 9.182 -3.278 24 HE3 TRP 67 HE3 TRP 67 7.076 8.830 -8.198 25 HZ2 TRP 67 HZ2 TRP 67 7.743 8.468 -3.272 26 HZ3 TRP 67 HZ3 TRP 67 9.262 8.223 -7.250 27 HH2 TRP 67 HH2 TRP 67 9.587 8.045 -4.837 28 H SER 68 H SER 68 5.442 12.149 -10.463 29 HA SER 68 HA SER 68 3.374 11.584 -12.354 30 1HB SER 68 1HB SER 68 2.960 13.689 -10.296 31 2HB SER 68 2HB SER 68 2.510 14.096 -11.952 32 HG SER 68 HG SER 68 0.729 13.113 -11.339 33 H LEU 69 H LEU 69 6.075 11.716 -12.677 34 HA LEU 69 HA LEU 69 7.107 14.220 -13.427 35 1HB LEU 69 1HB LEU 69 7.951 11.491 -13.478 36 2HB LEU 69 2HB LEU 69 8.291 12.205 -15.042 37 HG LEU 69 HG LEU 69 9.165 13.489 -12.463 38 1HD1 LEU 69 1HD1 LEU 69 10.029 11.050 -13.117 39 2HD1 LEU 69 2HD1 LEU 69 11.113 12.010 -14.122 40 3HD1 LEU 69 3HD1 LEU 69 11.069 12.268 -12.379 41 1HD2 LEU 69 1HD2 LEU 69 9.535 13.999 -15.350 42 2HD2 LEU 69 2HD2 LEU 69 9.456 15.127 -13.997 43 3HD2 LEU 69 3HD2 LEU 69 10.943 14.235 -14.316 44 H SER 70 H SER 70 5.739 11.615 -15.439 45 HA SER 70 HA SER 70 4.396 13.385 -17.175 46 1HB SER 70 1HB SER 70 5.732 13.310 -19.151 47 2HB SER 70 2HB SER 70 6.812 13.794 -17.844 48 HG SER 70 HG SER 70 7.759 12.172 -19.119 49 H CYS 71 H CYS 71 3.490 11.221 -15.881 50 HA CYS 71 HA CYS 71 3.199 9.189 -17.998 51 1HB CYS 71 1HB CYS 71 3.144 8.819 -14.996 52 2HB CYS 71 2HB CYS 71 2.730 7.564 -16.159 53 H ARG 72 H ARG 72 1.098 7.801 -17.374 54 HA ARG 72 HA ARG 72 -1.084 9.690 -17.573 55 1HB ARG 72 1HB ARG 72 -0.692 6.801 -18.102 56 2HB ARG 72 2HB ARG 72 -2.313 7.288 -17.625 57 1HG ARG 72 1HG ARG 72 -1.883 9.137 -19.483 58 2HG ARG 72 2HG ARG 72 -0.798 7.888 -20.095 59 1HD ARG 72 1HD ARG 72 -2.501 6.662 -20.842 60 2HD ARG 72 2HD ARG 72 -3.346 6.776 -19.299 61 HE ARG 72 HE ARG 72 -3.787 9.196 -20.413 62 1HH1 ARG 72 1HH1 ARG 72 -4.208 5.932 -21.579 63 2HH1 ARG 72 2HH1 ARG 72 -5.539 6.339 -22.610 64 1HH2 ARG 72 1HH2 ARG 72 -5.536 9.732 -21.769 65 2HH2 ARG 72 2HH2 ARG 72 -6.292 8.496 -22.718 66 H LYS 73 H LYS 73 -3.029 9.514 -16.278 67 HA LYS 73 HA LYS 73 -2.380 9.044 -13.482 68 1HB LYS 73 1HB LYS 73 -4.304 10.689 -14.964 69 2HB LYS 73 2HB LYS 73 -4.975 9.945 -13.520 70 1HG LYS 73 1HG LYS 73 -4.188 12.002 -12.783 71 2HG LYS 73 2HG LYS 73 -2.921 10.870 -12.311 72 1HD LYS 73 1HD LYS 73 -2.183 11.632 -14.861 73 2HD LYS 73 2HD LYS 73 -2.826 13.118 -14.159 74 1HE LYS 73 1HE LYS 73 -0.535 13.121 -13.630 75 2HE LYS 73 2HE LYS 73 -1.353 12.628 -12.149 76 1HZ LYS 73 1HZ LYS 73 -0.161 10.727 -14.090 77 2HZ LYS 73 2HZ LYS 73 0.635 11.285 -12.706 78 3HZ LYS 73 3HZ LYS 73 -0.778 10.366 -12.557 79 H GLU 74 H GLU 74 -3.284 7.019 -15.776 80 HA GLU 74 HA GLU 74 -5.659 5.813 -14.942 81 1HB GLU 74 1HB GLU 74 -3.593 5.270 -16.816 82 2HB GLU 74 2HB GLU 74 -3.857 3.803 -15.884 83 1HG GLU 74 1HG GLU 74 -5.565 3.360 -17.215 84 2HG GLU 74 2HG GLU 74 -6.410 4.726 -16.486 85 H GLN 75 H GLN 75 -6.175 4.320 -13.421 86 HA GLN 75 HA GLN 75 -4.324 3.965 -11.245 87 1HB GLN 75 1HB GLN 75 -7.201 3.542 -11.711 88 2HB GLN 75 2HB GLN 75 -6.459 2.397 -10.602 89 1HG GLN 75 1HG GLN 75 -7.286 4.151 -9.277 90 2HG GLN 75 2HG GLN 75 -5.539 4.383 -9.354 91 1HE2 GLN 75 1HE2 GLN 75 -5.309 6.516 -9.170 92 2HE2 GLN 75 2HE2 GLN 75 -6.053 7.691 -10.193 93 H GLY 76 H GLY 76 -4.662 2.380 -14.119 94 1HA GLY 76 1HA GLY 76 -4.351 -0.322 -13.121 95 2HA GLY 76 2HA GLY 76 -4.346 0.177 -14.805 96 H LYS 77 H LYS 77 -2.263 2.147 -13.086 97 HA LYS 77 HA LYS 77 0.029 0.357 -13.453 98 1HB LYS 77 1HB LYS 77 0.097 3.223 -14.381 99 2HB LYS 77 2HB LYS 77 1.278 1.957 -14.686 100 1HG LYS 77 1HG LYS 77 -0.530 0.767 -15.991 101 2HG LYS 77 2HG LYS 77 -1.462 2.261 -15.875 102 1HD LYS 77 1HD LYS 77 0.255 3.483 -17.037 103 2HD LYS 77 2HD LYS 77 1.322 2.077 -17.022 104 1HE LYS 77 1HE LYS 77 -0.922 1.073 -18.210 105 2HE LYS 77 2HE LYS 77 -0.912 2.734 -18.801 106 1HZ LYS 77 1HZ LYS 77 1.665 1.458 -18.911 107 2HZ LYS 77 2HZ LYS 77 0.500 0.690 -19.866 108 3HZ LYS 77 3HZ LYS 77 0.837 2.329 -20.102 109 H PHE 78 H PHE 78 1.855 0.864 -12.177 110 HA PHE 78 HA PHE 78 1.310 2.771 -9.997 111 1HB PHE 78 1HB PHE 78 2.425 1.316 -8.457 112 2HB PHE 78 2HB PHE 78 1.263 0.337 -9.346 113 HD1 PHE 78 HD1 PHE 78 4.817 1.071 -8.843 114 HD2 PHE 78 HD2 PHE 78 1.985 -1.390 -10.849 115 HE1 PHE 78 HE1 PHE 78 6.618 -0.487 -9.464 116 HE2 PHE 78 HE2 PHE 78 3.780 -2.953 -11.473 117 HZ PHE 78 HZ PHE 78 6.101 -2.501 -10.781 118 H TYR 79 H TYR 79 3.396 3.441 -8.849 119 HA TYR 79 HA TYR 79 5.471 3.959 -10.877 120 1HB TYR 79 1HB TYR 79 4.074 5.940 -10.074 121 2HB TYR 79 2HB TYR 79 4.880 5.746 -8.521 122 HD1 TYR 79 HD1 TYR 79 7.544 5.588 -8.724 123 HD2 TYR 79 HD2 TYR 79 4.977 7.460 -11.553 124 HE1 TYR 79 HE1 TYR 79 9.431 6.945 -9.528 125 HE2 TYR 79 HE2 TYR 79 6.856 8.822 -12.365 126 HH TYR 79 HH TYR 79 9.457 9.461 -10.842 127 H ASP 80 H ASP 80 7.495 3.366 -10.421 128 HA ASP 80 HA ASP 80 8.036 2.314 -7.730 129 1HB ASP 80 1HB ASP 80 8.254 0.826 -9.797 130 2HB ASP 80 2HB ASP 80 9.674 1.781 -10.206 131 H HIS 81 H HIS 81 9.283 3.473 -6.431 132 HA HIS 81 HA HIS 81 10.567 5.851 -7.284 133 1HB HIS 81 1HB HIS 81 11.331 6.055 -4.986 134 2HB HIS 81 2HB HIS 81 9.645 5.552 -5.014 135 HD1 HIS 81 HD1 HIS 81 9.214 2.964 -4.476 136 HD2 HIS 81 HD2 HIS 81 13.020 4.393 -3.623 137 HE1 HIS 81 HE1 HIS 81 10.243 1.259 -2.942 138 HE2 HIS 81 HE2 HIS 81 12.509 2.195 -2.361 139 H LEU 82 H LEU 82 11.869 2.709 -6.206 140 HA LEU 82 HA LEU 82 14.569 3.318 -6.390 141 1HB LEU 82 1HB LEU 82 14.902 0.868 -6.759 142 2HB LEU 82 2HB LEU 82 13.926 1.282 -5.363 143 HG LEU 82 HG LEU 82 12.094 0.931 -7.451 144 1HD1 LEU 82 1HD1 LEU 82 13.865 -0.156 -8.752 145 2HD1 LEU 82 2HD1 LEU 82 14.122 -1.299 -7.433 146 3HD1 LEU 82 3HD1 LEU 82 12.588 -1.287 -8.303 147 1HD2 LEU 82 1HD2 LEU 82 11.754 0.374 -5.098 148 2HD2 LEU 82 2HD2 LEU 82 11.377 -0.998 -6.140 149 3HD2 LEU 82 3HD2 LEU 82 12.896 -0.961 -5.245 150 H LEU 83 H LEU 83 12.265 2.842 -8.913 151 HA LEU 83 HA LEU 83 14.396 2.615 -10.917 152 1HB LEU 83 1HB LEU 83 11.425 2.150 -11.049 153 2HB LEU 83 2HB LEU 83 12.434 2.209 -12.481 154 HG LEU 83 HG LEU 83 12.522 0.181 -10.253 155 1HD1 LEU 83 1HD1 LEU 83 11.135 0.285 -12.681 156 2HD1 LEU 83 2HD1 LEU 83 12.474 -0.833 -12.941 157 3HD1 LEU 83 3HD1 LEU 83 11.342 -1.107 -11.618 158 1HD2 LEU 83 1HD2 LEU 83 14.595 0.970 -12.206 159 2HD2 LEU 83 2HD2 LEU 83 14.755 0.229 -10.614 160 3HD2 LEU 83 3HD2 LEU 83 14.316 -0.760 -12.005 161 H ARG 84 H ARG 84 11.990 4.761 -9.664 162 HA ARG 84 HA ARG 84 11.581 6.968 -10.037 163 1HB ARG 84 1HB ARG 84 14.246 6.590 -11.004 164 2HB ARG 84 2HB ARG 84 13.407 7.686 -12.092 165 1HG ARG 84 1HG ARG 84 12.760 9.047 -10.107 166 2HG ARG 84 2HG ARG 84 13.792 8.004 -9.126 167 1HD ARG 84 1HD ARG 84 14.717 9.606 -11.507 168 2HD ARG 84 2HD ARG 84 14.906 10.101 -9.825 169 HE ARG 84 HE ARG 84 16.022 7.516 -10.400 170 1HH1 ARG 84 1HH1 ARG 84 16.615 10.955 -10.412 171 2HH1 ARG 84 2HH1 ARG 84 18.335 10.786 -10.311 172 1HH2 ARG 84 1HH2 ARG 84 18.285 7.290 -10.268 173 2HH2 ARG 84 2HH2 ARG 84 19.284 8.705 -10.230 174 H ASP 85 H ASP 85 10.737 4.639 -11.896 175 HA ASP 85 HA ASP 85 9.648 6.367 -14.018 176 1HB ASP 85 1HB ASP 85 11.029 3.762 -14.197 177 2HB ASP 85 2HB ASP 85 9.559 3.897 -15.157 178 H CYS 86 H CYS 86 7.695 5.141 -15.088 179 HA CYS 86 HA CYS 86 5.935 4.344 -12.877 180 1HB CYS 86 1HB CYS 86 5.042 5.171 -15.635 181 2HB CYS 86 2HB CYS 86 4.097 5.131 -14.150 182 H ILE 87 H ILE 87 6.187 2.181 -12.699 183 HA ILE 87 HA ILE 87 6.192 0.496 -15.064 184 HB ILE 87 HB ILE 87 6.387 -0.258 -12.145 185 1HG1 ILE 87 1HG1 ILE 87 8.810 -0.716 -12.854 186 2HG1 ILE 87 2HG1 ILE 87 8.453 0.254 -14.279 187 1HG2 ILE 87 1HG2 ILE 87 5.526 -2.075 -13.546 188 2HG2 ILE 87 2HG2 ILE 87 6.922 -1.909 -14.611 189 3HG2 ILE 87 3HG2 ILE 87 7.144 -2.429 -12.940 190 1HD1 ILE 87 1HD1 ILE 87 7.827 1.420 -11.629 191 2HD1 ILE 87 2HD1 ILE 87 9.521 1.291 -12.104 192 3HD1 ILE 87 3HD1 ILE 87 8.391 2.197 -13.110 193 H SER 88 H SER 88 4.442 -0.409 -15.890 194 HA SER 88 HA SER 88 1.884 -0.133 -14.609 195 1HB SER 88 1HB SER 88 1.200 -1.555 -16.703 196 2HB SER 88 2HB SER 88 1.711 0.119 -16.915 197 HG SER 88 HG SER 88 3.434 -0.539 -17.938 198 H CYS 89 H CYS 89 0.372 -2.076 -14.580 199 HA CYS 89 HA CYS 89 1.718 -4.218 -13.127 200 1HB CYS 89 1HB CYS 89 -1.114 -3.253 -13.305 201 2HB CYS 89 2HB CYS 89 -0.786 -4.886 -12.739 202 H ALA 90 H ALA 90 -0.466 -3.765 -15.879 203 HA ALA 90 HA ALA 90 -0.755 -6.494 -16.530 204 1HB ALA 90 1HB ALA 90 -1.922 -4.219 -17.393 205 2HB ALA 90 2HB ALA 90 -0.863 -4.572 -18.757 206 3HB ALA 90 3HB ALA 90 -2.046 -5.767 -18.227 207 H SER 91 H SER 91 1.719 -4.147 -17.255 208 HA SER 91 HA SER 91 2.931 -5.594 -19.387 209 1HB SER 91 1HB SER 91 3.281 -3.200 -19.179 210 2HB SER 91 2HB SER 91 4.030 -3.417 -17.598 211 HG SER 91 HG SER 91 5.021 -4.098 -20.143 212 H ILE 92 H ILE 92 2.952 -6.001 -15.995 213 HA ILE 92 HA ILE 92 5.330 -7.731 -16.204 214 HB ILE 92 HB ILE 92 5.458 -7.436 -13.673 215 1HG1 ILE 92 1HG1 ILE 92 3.734 -5.040 -14.334 216 2HG1 ILE 92 2HG1 ILE 92 3.211 -6.441 -13.406 217 1HG2 ILE 92 1HG2 ILE 92 6.976 -6.408 -15.378 218 2HG2 ILE 92 2HG2 ILE 92 5.975 -4.957 -15.301 219 3HG2 ILE 92 3HG2 ILE 92 6.842 -5.508 -13.867 220 1HD1 ILE 92 1HD1 ILE 92 5.376 -5.730 -11.990 221 2HD1 ILE 92 2HD1 ILE 92 4.880 -4.156 -12.612 222 3HD1 ILE 92 3HD1 ILE 92 3.750 -5.128 -11.668 223 H CYS 93 H CYS 93 2.433 -8.360 -16.679 224 HA CYS 93 HA CYS 93 1.350 -9.813 -14.557 225 1HB CYS 93 1HB CYS 93 0.964 -9.785 -17.499 226 2HB CYS 93 2HB CYS 93 0.384 -11.209 -16.640 227 H GLY 94 H GLY 94 2.144 -11.476 -13.499 228 1HA GLY 94 1HA GLY 94 2.669 -13.901 -13.764 229 2HA GLY 94 2HA GLY 94 3.846 -13.393 -14.966 230 H GLN 95 H GLN 95 5.062 -11.274 -13.771 231 HA GLN 95 HA GLN 95 6.091 -12.323 -11.224 232 1HB GLN 95 1HB GLN 95 7.842 -11.108 -13.363 233 2HB GLN 95 2HB GLN 95 8.357 -11.883 -11.871 234 1HG GLN 95 1HG GLN 95 6.740 -13.628 -13.538 235 2HG GLN 95 2HG GLN 95 8.197 -13.058 -14.352 236 1HE2 GLN 95 1HE2 GLN 95 7.373 -14.046 -11.041 237 2HE2 GLN 95 2HE2 GLN 95 8.676 -15.167 -10.870 238 H HIS 96 H HIS 96 4.368 -10.603 -10.711 239 HA HIS 96 HA HIS 96 5.719 -7.995 -10.483 240 1HB HIS 96 1HB HIS 96 3.423 -6.973 -10.568 241 2HB HIS 96 2HB HIS 96 3.949 -7.713 -12.074 242 HD1 HIS 96 HD1 HIS 96 1.906 -8.636 -13.116 243 HD2 HIS 96 HD2 HIS 96 2.055 -9.424 -9.041 244 HE1 HIS 96 HE1 HIS 96 -0.076 -10.107 -12.642 245 HE2 HIS 96 HE2 HIS 96 -0.022 -10.488 -10.154 246 HA PRO 97 HA PRO 97 5.118 -8.094 -6.126 247 1HB PRO 97 1HB PRO 97 4.111 -5.579 -5.617 248 2HB PRO 97 2HB PRO 97 5.820 -5.937 -5.881 249 1HG PRO 97 1HG PRO 97 3.786 -4.874 -7.798 250 2HG PRO 97 2HG PRO 97 5.482 -4.401 -7.585 251 1HD PRO 97 1HD PRO 97 4.714 -5.990 -9.602 252 2HD PRO 97 2HD PRO 97 6.272 -6.220 -8.783 253 H LYS 98 H LYS 98 3.473 -7.783 -4.376 254 HA LYS 98 HA LYS 98 1.094 -9.100 -4.976 255 1HB LYS 98 1HB LYS 98 2.219 -8.853 -2.715 256 2HB LYS 98 2HB LYS 98 1.479 -7.261 -2.616 257 1HG LYS 98 1HG LYS 98 -0.546 -9.129 -3.299 258 2HG LYS 98 2HG LYS 98 0.369 -9.778 -1.937 259 1HD LYS 98 1HD LYS 98 -0.988 -8.492 -0.691 260 2HD LYS 98 2HD LYS 98 0.071 -7.173 -1.198 261 1HE LYS 98 1HE LYS 98 -1.444 -6.354 -2.707 262 2HE LYS 98 2HE LYS 98 -2.194 -7.927 -2.972 263 1HZ LYS 98 1HZ LYS 98 -2.467 -6.686 -0.332 264 2HZ LYS 98 2HZ LYS 98 -3.396 -6.068 -1.602 265 3HZ LYS 98 3HZ LYS 98 -3.539 -7.696 -1.164 266 H GLN 99 H GLN 99 1.875 -5.718 -5.102 267 HA GLN 99 HA GLN 99 -0.702 -4.623 -4.936 268 1HB GLN 99 1HB GLN 99 1.603 -3.451 -4.937 269 2HB GLN 99 2HB GLN 99 1.449 -3.469 -6.689 270 1HG GLN 99 1HG GLN 99 -0.012 -1.789 -6.690 271 2HG GLN 99 2HG GLN 99 -0.927 -2.462 -5.342 272 1HE2 GLN 99 1HE2 GLN 99 0.708 -2.469 -3.281 273 2HE2 GLN 99 2HE2 GLN 99 1.292 -0.885 -2.912 274 H CYS 100 H CYS 100 1.065 -6.020 -7.638 275 HA CYS 100 HA CYS 100 -1.103 -5.356 -9.483 276 1HB CYS 100 1HB CYS 100 1.584 -6.666 -9.938 277 2HB CYS 100 2HB CYS 100 0.407 -6.347 -11.207 278 H ALA 101 H ALA 101 -1.330 -7.376 -7.265 279 HA ALA 101 HA ALA 101 -1.452 -9.938 -8.555 280 1HB ALA 101 1HB ALA 101 -1.001 -9.506 -6.090 281 2HB ALA 101 2HB ALA 101 -2.737 -9.238 -5.932 282 3HB ALA 101 3HB ALA 101 -2.132 -10.802 -6.480 283 H TYR 102 H TYR 102 -3.577 -7.258 -8.241 284 HA TYR 102 HA TYR 102 -6.026 -8.718 -8.519 285 1HB TYR 102 1HB TYR 102 -7.054 -6.511 -8.836 286 2HB TYR 102 2HB TYR 102 -5.978 -6.519 -7.441 287 HD1 TYR 102 HD1 TYR 102 -6.207 -5.506 -11.005 288 HD2 TYR 102 HD2 TYR 102 -4.193 -4.995 -7.292 289 HE1 TYR 102 HE1 TYR 102 -5.006 -3.569 -11.929 290 HE2 TYR 102 HE2 TYR 102 -2.987 -3.057 -8.207 291 HH TYR 102 HH TYR 102 -3.434 -1.337 -10.103 292 H PHE 103 H PHE 103 -3.560 -8.138 -10.677 293 HA PHE 103 HA PHE 103 -5.352 -7.923 -12.986 294 1HB PHE 103 1HB PHE 103 -3.139 -6.524 -12.549 295 2HB PHE 103 2HB PHE 103 -2.382 -7.935 -13.281 296 HD1 PHE 103 HD1 PHE 103 -4.010 -8.758 -15.412 297 HD2 PHE 103 HD2 PHE 103 -3.316 -4.795 -14.026 298 HE1 PHE 103 HE1 PHE 103 -4.554 -7.887 -17.647 299 HE2 PHE 103 HE2 PHE 103 -3.860 -3.915 -16.259 300 HZ PHE 103 HZ PHE 103 -4.480 -5.462 -18.073 301 H CYS 104 H CYS 104 -2.298 -9.666 -12.381 302 HA CYS 104 HA CYS 104 -3.567 -12.094 -13.456 303 1HB CYS 104 1HB CYS 104 -0.745 -11.182 -14.055 304 2HB CYS 104 2HB CYS 104 -1.505 -12.656 -14.638 305 H GLU 105 H GLU 105 -3.846 -12.794 -11.279 306 HA GLU 105 HA GLU 105 -1.568 -14.207 -10.253 307 1HB GLU 105 1HB GLU 105 -2.261 -11.620 -9.156 308 2HB GLU 105 2HB GLU 105 -2.408 -12.876 -7.934 309 1HG GLU 105 1HG GLU 105 0.039 -12.859 -9.607 310 2HG GLU 105 2HG GLU 105 -0.139 -11.599 -8.386 311 H ASN 106 H ASN 106 -2.352 -14.931 -7.806 312 HA ASN 106 HA ASN 106 -4.227 -16.905 -8.172 313 1HB ASN 106 1HB ASN 106 -4.433 -16.896 -5.647 314 2HB ASN 106 2HB ASN 106 -2.791 -17.015 -6.274 315 1HD2 ASN 106 1HD2 ASN 106 -1.405 -15.244 -6.090 316 2HD2 ASN 106 2HD2 ASN 106 -1.718 -13.952 -4.986 317 H LYS 107 H LYS 107 -4.749 -13.571 -7.177 318 HA LYS 107 HA LYS 107 -7.443 -13.842 -6.384 319 1HB LYS 107 1HB LYS 107 -6.171 -11.370 -7.561 320 2HB LYS 107 2HB LYS 107 -7.558 -11.446 -6.483 321 1HG LYS 107 1HG LYS 107 -5.701 -12.680 -4.967 322 2HG LYS 107 2HG LYS 107 -4.683 -11.566 -5.883 323 1HD LYS 107 1HD LYS 107 -7.156 -10.765 -4.352 324 2HD LYS 107 2HD LYS 107 -5.508 -10.628 -3.735 325 1HE LYS 107 1HE LYS 107 -4.927 -9.037 -5.399 326 2HE LYS 107 2HE LYS 107 -6.411 -9.341 -6.301 327 1HZ LYS 107 1HZ LYS 107 -7.516 -8.554 -4.100 328 2HZ LYS 107 2HZ LYS 107 -6.022 -7.808 -3.827 329 3HZ LYS 107 3HZ LYS 107 -6.926 -7.416 -5.203 330 H LEU 108 H LEU 108 -5.957 -12.982 -9.485 331 HA LEU 108 HA LEU 108 -8.445 -13.749 -10.817 332 1HB LEU 108 1HB LEU 108 -7.825 -11.105 -10.450 333 2HB LEU 108 2HB LEU 108 -7.143 -11.419 -12.034 334 HG LEU 108 HG LEU 108 -9.385 -10.559 -12.275 335 1HD1 LEU 108 1HD1 LEU 108 -8.549 -12.361 -13.806 336 2HD1 LEU 108 2HD1 LEU 108 -9.474 -13.512 -12.843 337 3HD1 LEU 108 3HD1 LEU 108 -10.303 -12.216 -13.706 338 1HD2 LEU 108 1HD2 LEU 108 -9.965 -12.551 -10.175 339 2HD2 LEU 108 2HD2 LEU 108 -10.673 -10.962 -10.461 340 3HD2 LEU 108 3HD2 LEU 108 -11.193 -12.346 -11.423 341 H ARG 109 H ARG 109 -7.700 -15.501 -11.865 342 HA ARG 109 HA ARG 109 -5.623 -15.082 -13.872 343 1HB ARG 109 1HB ARG 109 -5.404 -16.865 -11.523 344 2HB ARG 109 2HB ARG 109 -4.918 -17.565 -13.061 345 1HG ARG 109 1HG ARG 109 -3.854 -14.881 -12.472 346 2HG ARG 109 2HG ARG 109 -3.263 -16.198 -11.457 347 1HD ARG 109 1HD ARG 109 -2.479 -17.409 -13.354 348 2HD ARG 109 2HD ARG 109 -3.285 -16.304 -14.466 349 HE ARG 109 HE ARG 109 -1.575 -14.703 -13.091 350 1HH1 ARG 109 1HH1 ARG 109 -1.188 -17.662 -14.902 351 2HH1 ARG 109 2HH1 ARG 109 0.432 -17.297 -15.392 352 1HH2 ARG 109 1HH2 ARG 109 0.556 -14.221 -13.735 353 2HH2 ARG 109 2HH2 ARG 109 1.423 -15.344 -14.730 Start of MODEL 3 1 1H GLY 64 1H GLY 64 4.509 19.684 -5.556 2 2H GLY 64 2H GLY 64 4.115 18.167 -6.192 3 3H GLY 64 3H GLY 64 5.736 18.591 -5.959 4 1HA GLY 64 1HA GLY 64 5.362 18.705 -3.552 5 2HA GLY 64 2HA GLY 64 3.710 18.173 -3.830 6 H SER 65 H SER 65 3.395 16.045 -4.784 7 HA SER 65 HA SER 65 5.205 14.131 -3.622 8 1HB SER 65 1HB SER 65 3.505 12.521 -4.830 9 2HB SER 65 2HB SER 65 3.014 13.412 -3.390 10 HG SER 65 HG SER 65 2.377 13.905 -6.091 11 HA PRO 66 HA PRO 66 7.704 13.173 -7.118 12 1HB PRO 66 1HB PRO 66 7.945 10.458 -6.883 13 2HB PRO 66 2HB PRO 66 8.823 11.612 -5.874 14 1HG PRO 66 1HG PRO 66 6.314 10.095 -5.270 15 2HG PRO 66 2HG PRO 66 7.719 10.391 -4.229 16 1HD PRO 66 1HD PRO 66 5.452 11.812 -3.984 17 2HD PRO 66 2HD PRO 66 7.047 12.549 -3.729 18 H TRP 67 H TRP 67 5.092 10.774 -6.692 19 HA TRP 67 HA TRP 67 4.754 10.746 -9.614 20 1HB TRP 67 1HB TRP 67 3.403 8.603 -9.056 21 2HB TRP 67 2HB TRP 67 5.160 8.535 -8.989 22 HD1 TRP 67 HD1 TRP 67 2.077 8.520 -6.713 23 HE1 TRP 67 HE1 TRP 67 2.772 7.636 -4.399 24 HE3 TRP 67 HE3 TRP 67 7.138 8.300 -7.412 25 HZ2 TRP 67 HZ2 TRP 67 5.150 6.933 -3.049 26 HZ3 TRP 67 HZ3 TRP 67 8.551 7.509 -5.562 27 HH2 TRP 67 HH2 TRP 67 7.576 6.841 -3.424 28 H SER 68 H SER 68 3.002 11.640 -10.461 29 HA SER 68 HA SER 68 0.414 11.482 -9.372 30 1HB SER 68 1HB SER 68 1.984 13.496 -8.177 31 2HB SER 68 2HB SER 68 0.886 14.328 -9.279 32 HG SER 68 HG SER 68 0.080 12.403 -7.355 33 H LEU 69 H LEU 69 2.272 14.003 -11.083 34 HA LEU 69 HA LEU 69 0.336 13.811 -13.286 35 1HB LEU 69 1HB LEU 69 1.094 16.039 -13.945 36 2HB LEU 69 2HB LEU 69 0.496 16.019 -12.296 37 HG LEU 69 HG LEU 69 3.091 15.678 -11.769 38 1HD1 LEU 69 1HD1 LEU 69 3.282 15.922 -14.443 39 2HD1 LEU 69 2HD1 LEU 69 3.439 17.612 -13.962 40 3HD1 LEU 69 3HD1 LEU 69 4.554 16.404 -13.320 41 1HD2 LEU 69 1HD2 LEU 69 1.652 18.260 -12.342 42 2HD2 LEU 69 2HD2 LEU 69 1.811 17.431 -10.794 43 3HD2 LEU 69 3HD2 LEU 69 3.223 18.173 -11.545 44 H SER 70 H SER 70 3.552 13.091 -12.428 45 HA SER 70 HA SER 70 4.917 13.428 -14.837 46 1HB SER 70 1HB SER 70 5.848 12.775 -12.534 47 2HB SER 70 2HB SER 70 5.417 11.120 -12.963 48 HG SER 70 HG SER 70 7.113 11.041 -14.189 49 H CYS 71 H CYS 71 2.934 10.733 -13.684 50 HA CYS 71 HA CYS 71 3.207 9.467 -16.327 51 1HB CYS 71 1HB CYS 71 3.754 8.231 -14.093 52 2HB CYS 71 2HB CYS 71 2.005 8.093 -13.946 53 H ARG 72 H ARG 72 1.229 8.313 -17.107 54 HA ARG 72 HA ARG 72 -0.895 10.100 -17.435 55 1HB ARG 72 1HB ARG 72 -0.762 7.115 -17.878 56 2HB ARG 72 2HB ARG 72 -2.114 8.119 -18.386 57 1HG ARG 72 1HG ARG 72 -0.915 8.031 -20.322 58 2HG ARG 72 2HG ARG 72 -0.231 9.487 -19.596 59 1HD ARG 72 1HD ARG 72 1.744 8.436 -19.028 60 2HD ARG 72 2HD ARG 72 1.010 6.833 -19.025 61 HE ARG 72 HE ARG 72 0.845 7.570 -21.617 62 1HH1 ARG 72 1HH1 ARG 72 3.481 7.506 -19.332 63 2HH1 ARG 72 2HH1 ARG 72 4.686 7.218 -20.541 64 1HH2 ARG 72 1HH2 ARG 72 2.427 7.189 -23.208 65 2HH2 ARG 72 2HH2 ARG 72 4.088 7.037 -22.742 66 H LYS 73 H LYS 73 -3.263 9.267 -17.022 67 HA LYS 73 HA LYS 73 -3.483 8.965 -14.129 68 1HB LYS 73 1HB LYS 73 -5.447 9.788 -16.261 69 2HB LYS 73 2HB LYS 73 -5.921 9.508 -14.591 70 1HG LYS 73 1HG LYS 73 -3.639 11.291 -14.816 71 2HG LYS 73 2HG LYS 73 -5.064 11.891 -15.667 72 1HD LYS 73 1HD LYS 73 -5.164 12.730 -13.440 73 2HD LYS 73 2HD LYS 73 -6.379 11.457 -13.574 74 1HE LYS 73 1HE LYS 73 -4.470 9.924 -12.690 75 2HE LYS 73 2HE LYS 73 -3.760 11.437 -12.132 76 1HZ LYS 73 1HZ LYS 73 -6.078 11.821 -11.112 77 2HZ LYS 73 2HZ LYS 73 -6.270 10.150 -11.287 78 3HZ LYS 73 3HZ LYS 73 -5.011 10.760 -10.336 79 H GLU 74 H GLU 74 -3.167 6.817 -16.475 80 HA GLU 74 HA GLU 74 -5.403 5.144 -16.360 81 1HB GLU 74 1HB GLU 74 -2.637 4.947 -17.281 82 2HB GLU 74 2HB GLU 74 -3.271 3.415 -16.696 83 1HG GLU 74 1HG GLU 74 -4.794 3.242 -18.371 84 2HG GLU 74 2HG GLU 74 -4.972 4.987 -18.543 85 H GLN 75 H GLN 75 -6.244 4.037 -14.738 86 HA GLN 75 HA GLN 75 -5.062 3.874 -12.189 87 1HB GLN 75 1HB GLN 75 -7.574 3.612 -13.060 88 2HB GLN 75 2HB GLN 75 -7.162 1.907 -12.937 89 1HG GLN 75 1HG GLN 75 -7.202 1.929 -10.702 90 2HG GLN 75 2HG GLN 75 -6.410 3.501 -10.601 91 1HE2 GLN 75 1HE2 GLN 75 -8.193 3.329 -8.807 92 2HE2 GLN 75 2HE2 GLN 75 -9.687 4.093 -9.217 93 H GLY 76 H GLY 76 -4.639 1.951 -14.988 94 1HA GLY 76 1HA GLY 76 -3.734 -0.377 -13.476 95 2HA GLY 76 2HA GLY 76 -3.885 -0.267 -15.223 96 H LYS 77 H LYS 77 -2.262 2.244 -13.446 97 HA LYS 77 HA LYS 77 0.356 1.119 -14.111 98 1HB LYS 77 1HB LYS 77 -0.855 3.579 -15.246 99 2HB LYS 77 2HB LYS 77 0.836 3.678 -14.776 100 1HG LYS 77 1HG LYS 77 1.440 2.667 -16.645 101 2HG LYS 77 2HG LYS 77 0.448 1.267 -16.235 102 1HD LYS 77 1HD LYS 77 -1.523 2.566 -17.154 103 2HD LYS 77 2HD LYS 77 -0.347 3.715 -17.795 104 1HE LYS 77 1HE LYS 77 -0.296 2.404 -19.605 105 2HE LYS 77 2HE LYS 77 0.660 1.298 -18.619 106 1HZ LYS 77 1HZ LYS 77 -2.206 1.052 -18.302 107 2HZ LYS 77 2HZ LYS 77 -1.631 0.640 -19.838 108 3HZ LYS 77 3HZ LYS 77 -1.027 -0.150 -18.469 109 H PHE 78 H PHE 78 1.998 1.712 -12.736 110 HA PHE 78 HA PHE 78 1.336 3.624 -10.606 111 1HB PHE 78 1HB PHE 78 2.229 2.160 -8.911 112 2HB PHE 78 2HB PHE 78 0.996 1.283 -9.810 113 HD1 PHE 78 HD1 PHE 78 4.626 1.668 -9.300 114 HD2 PHE 78 HD2 PHE 78 1.526 -0.676 -11.033 115 HE1 PHE 78 HE1 PHE 78 6.238 -0.136 -9.734 116 HE2 PHE 78 HE2 PHE 78 3.136 -2.484 -11.471 117 HZ PHE 78 HZ PHE 78 5.495 -2.215 -10.822 118 H TYR 79 H TYR 79 3.385 4.096 -9.261 119 HA TYR 79 HA TYR 79 5.654 4.404 -11.115 120 1HB TYR 79 1HB TYR 79 4.437 6.525 -10.489 121 2HB TYR 79 2HB TYR 79 4.961 6.255 -8.829 122 HD1 TYR 79 HD1 TYR 79 7.584 5.850 -8.585 123 HD2 TYR 79 HD2 TYR 79 5.727 7.903 -11.817 124 HE1 TYR 79 HE1 TYR 79 9.702 7.000 -9.063 125 HE2 TYR 79 HE2 TYR 79 7.841 9.060 -12.303 126 HH TYR 79 HH TYR 79 10.376 9.219 -10.198 127 H ASP 80 H ASP 80 7.416 3.327 -10.548 128 HA ASP 80 HA ASP 80 7.662 2.333 -7.813 129 1HB ASP 80 1HB ASP 80 7.956 0.836 -9.837 130 2HB ASP 80 2HB ASP 80 9.456 1.698 -10.157 131 H HIS 81 H HIS 81 8.839 3.378 -6.369 132 HA HIS 81 HA HIS 81 10.401 5.646 -6.999 133 1HB HIS 81 1HB HIS 81 10.985 5.677 -4.628 134 2HB HIS 81 2HB HIS 81 9.265 5.368 -4.839 135 HD1 HIS 81 HD1 HIS 81 12.143 4.150 -3.066 136 HD2 HIS 81 HD2 HIS 81 8.685 2.447 -4.617 137 HE1 HIS 81 HE1 HIS 81 11.898 1.941 -1.893 138 HE2 HIS 81 HE2 HIS 81 9.847 0.889 -2.910 139 H LEU 82 H LEU 82 11.337 2.368 -5.953 140 HA LEU 82 HA LEU 82 14.091 2.771 -5.887 141 1HB LEU 82 1HB LEU 82 14.294 0.338 -6.148 142 2HB LEU 82 2HB LEU 82 13.086 0.786 -4.959 143 HG LEU 82 HG LEU 82 11.761 0.505 -7.458 144 1HD1 LEU 82 1HD1 LEU 82 13.659 -0.837 -8.188 145 2HD1 LEU 82 2HD1 LEU 82 13.502 -1.853 -6.755 146 3HD1 LEU 82 3HD1 LEU 82 12.222 -1.835 -7.969 147 1HD2 LEU 82 1HD2 LEU 82 11.767 -1.180 -4.959 148 2HD2 LEU 82 2HD2 LEU 82 10.716 0.194 -5.301 149 3HD2 LEU 82 3HD2 LEU 82 10.572 -1.285 -6.251 150 H LEU 83 H LEU 83 11.972 2.535 -8.589 151 HA LEU 83 HA LEU 83 14.240 2.158 -10.419 152 1HB LEU 83 1HB LEU 83 11.271 1.848 -10.799 153 2HB LEU 83 2HB LEU 83 12.403 1.836 -12.135 154 HG LEU 83 HG LEU 83 12.224 -0.162 -9.884 155 1HD1 LEU 83 1HD1 LEU 83 10.608 -0.319 -11.794 156 2HD1 LEU 83 2HD1 LEU 83 11.993 -0.572 -12.857 157 3HD1 LEU 83 3HD1 LEU 83 11.643 -1.730 -11.574 158 1HD2 LEU 83 1HD2 LEU 83 14.435 0.488 -11.727 159 2HD2 LEU 83 2HD2 LEU 83 14.464 -0.271 -10.134 160 3HD2 LEU 83 3HD2 LEU 83 14.040 -1.224 -11.556 161 H ARG 84 H ARG 84 11.885 4.428 -9.331 162 HA ARG 84 HA ARG 84 11.575 6.639 -9.752 163 1HB ARG 84 1HB ARG 84 14.276 6.152 -10.877 164 2HB ARG 84 2HB ARG 84 13.457 7.612 -11.413 165 1HG ARG 84 1HG ARG 84 13.370 7.168 -8.520 166 2HG ARG 84 2HG ARG 84 14.988 7.412 -9.182 167 1HD ARG 84 1HD ARG 84 14.434 9.529 -10.038 168 2HD ARG 84 2HD ARG 84 12.704 9.237 -9.866 169 HE ARG 84 HE ARG 84 13.592 9.117 -7.320 170 1HH1 ARG 84 1HH1 ARG 84 14.004 11.467 -9.867 171 2HH1 ARG 84 2HH1 ARG 84 14.135 12.808 -8.779 172 1HH2 ARG 84 1HH2 ARG 84 13.764 10.878 -5.887 173 2HH2 ARG 84 2HH2 ARG 84 13.999 12.474 -6.518 174 H ASP 85 H ASP 85 10.799 4.356 -11.677 175 HA ASP 85 HA ASP 85 10.038 6.113 -13.916 176 1HB ASP 85 1HB ASP 85 11.569 3.765 -14.047 177 2HB ASP 85 2HB ASP 85 9.968 3.304 -14.617 178 H CYS 86 H CYS 86 8.102 5.007 -15.149 179 HA CYS 86 HA CYS 86 6.077 4.428 -13.101 180 1HB CYS 86 1HB CYS 86 5.784 6.424 -14.612 181 2HB CYS 86 2HB CYS 86 5.607 5.301 -15.955 182 H ILE 87 H ILE 87 6.096 2.264 -12.841 183 HA ILE 87 HA ILE 87 6.073 0.536 -15.199 184 HB ILE 87 HB ILE 87 6.256 -0.248 -12.289 185 1HG1 ILE 87 1HG1 ILE 87 8.692 -0.697 -12.960 186 2HG1 ILE 87 2HG1 ILE 87 8.374 0.329 -14.354 187 1HG2 ILE 87 1HG2 ILE 87 5.414 -1.978 -13.867 188 2HG2 ILE 87 2HG2 ILE 87 6.936 -1.848 -14.749 189 3HG2 ILE 87 3HG2 ILE 87 6.931 -2.406 -13.075 190 1HD1 ILE 87 1HD1 ILE 87 7.667 1.421 -11.703 191 2HD1 ILE 87 2HD1 ILE 87 9.382 1.250 -12.076 192 3HD1 ILE 87 3HD1 ILE 87 8.345 2.220 -13.121 193 H SER 88 H SER 88 4.349 -0.616 -15.832 194 HA SER 88 HA SER 88 1.823 -0.151 -14.456 195 1HB SER 88 1HB SER 88 2.080 -1.716 -17.005 196 2HB SER 88 2HB SER 88 0.752 -0.694 -16.456 197 HG SER 88 HG SER 88 2.553 0.010 -18.127 198 H CYS 89 H CYS 89 0.266 -2.072 -14.418 199 HA CYS 89 HA CYS 89 1.654 -4.298 -13.137 200 1HB CYS 89 1HB CYS 89 -1.187 -3.321 -13.144 201 2HB CYS 89 2HB CYS 89 -0.808 -4.952 -12.605 202 H ALA 90 H ALA 90 -0.950 -3.845 -15.526 203 HA ALA 90 HA ALA 90 -1.224 -6.484 -16.326 204 1HB ALA 90 1HB ALA 90 -2.493 -4.241 -16.974 205 2HB ALA 90 2HB ALA 90 -1.483 -4.395 -18.411 206 3HB ALA 90 3HB ALA 90 -2.585 -5.697 -17.965 207 H SER 91 H SER 91 1.240 -4.163 -17.153 208 HA SER 91 HA SER 91 2.244 -5.684 -19.385 209 1HB SER 91 1HB SER 91 2.440 -3.059 -18.682 210 2HB SER 91 2HB SER 91 4.016 -3.663 -18.172 211 HG SER 91 HG SER 91 2.981 -3.333 -20.703 212 H ILE 92 H ILE 92 2.395 -6.212 -16.127 213 HA ILE 92 HA ILE 92 4.961 -7.632 -16.409 214 HB ILE 92 HB ILE 92 5.220 -7.247 -13.893 215 1HG1 ILE 92 1HG1 ILE 92 3.233 -5.063 -14.555 216 2HG1 ILE 92 2HG1 ILE 92 2.973 -6.405 -13.447 217 1HG2 ILE 92 1HG2 ILE 92 6.523 -6.169 -15.773 218 2HG2 ILE 92 2HG2 ILE 92 5.462 -4.772 -15.585 219 3HG2 ILE 92 3HG2 ILE 92 6.489 -5.285 -14.246 220 1HD1 ILE 92 1HD1 ILE 92 5.069 -4.282 -13.072 221 2HD1 ILE 92 2HD1 ILE 92 3.470 -4.256 -12.331 222 3HD1 ILE 92 3HD1 ILE 92 4.606 -5.541 -11.926 223 H CYS 93 H CYS 93 2.099 -8.497 -16.663 224 HA CYS 93 HA CYS 93 1.281 -9.971 -14.436 225 1HB CYS 93 1HB CYS 93 0.693 -10.052 -17.346 226 2HB CYS 93 2HB CYS 93 0.275 -11.484 -16.410 227 H GLY 94 H GLY 94 2.279 -11.547 -13.409 228 1HA GLY 94 1HA GLY 94 2.986 -13.911 -13.602 229 2HA GLY 94 2HA GLY 94 3.960 -13.407 -14.976 230 H GLN 95 H GLN 95 5.059 -11.065 -13.970 231 HA GLN 95 HA GLN 95 6.554 -11.941 -11.595 232 1HB GLN 95 1HB GLN 95 7.831 -10.577 -13.967 233 2HB GLN 95 2HB GLN 95 8.640 -11.259 -12.562 234 1HG GLN 95 1HG GLN 95 8.519 -13.377 -13.345 235 2HG GLN 95 2HG GLN 95 6.986 -13.103 -14.171 236 1HE2 GLN 95 1HE2 GLN 95 8.455 -14.476 -15.679 237 2HE2 GLN 95 2HE2 GLN 95 9.308 -13.571 -16.878 238 H HIS 96 H HIS 96 4.729 -10.414 -10.855 239 HA HIS 96 HA HIS 96 5.834 -7.690 -10.756 240 1HB HIS 96 1HB HIS 96 3.487 -6.832 -10.759 241 2HB HIS 96 2HB HIS 96 3.963 -7.598 -12.270 242 HD1 HIS 96 HD1 HIS 96 1.923 -8.682 -13.145 243 HD2 HIS 96 HD2 HIS 96 2.373 -9.297 -9.064 244 HE1 HIS 96 HE1 HIS 96 0.059 -10.236 -12.490 245 HE2 HIS 96 HE2 HIS 96 0.276 -10.487 -9.993 246 HA PRO 97 HA PRO 97 5.437 -7.794 -6.376 247 1HB PRO 97 1HB PRO 97 4.254 -5.373 -5.828 248 2HB PRO 97 2HB PRO 97 5.970 -5.582 -6.190 249 1HG PRO 97 1HG PRO 97 3.742 -4.729 -7.994 250 2HG PRO 97 2HG PRO 97 5.393 -4.093 -7.874 251 1HD PRO 97 1HD PRO 97 4.680 -5.767 -9.840 252 2HD PRO 97 2HD PRO 97 6.291 -5.846 -9.099 253 H LYS 98 H LYS 98 3.739 -7.169 -4.564 254 HA LYS 98 HA LYS 98 1.515 -8.862 -4.932 255 1HB LYS 98 1HB LYS 98 2.543 -8.476 -2.743 256 2HB LYS 98 2HB LYS 98 2.031 -6.795 -2.786 257 1HG LYS 98 1HG LYS 98 -0.346 -7.968 -3.112 258 2HG LYS 98 2HG LYS 98 0.480 -9.239 -2.209 259 1HD LYS 98 1HD LYS 98 -0.588 -7.841 -0.610 260 2HD LYS 98 2HD LYS 98 1.137 -7.477 -0.537 261 1HE LYS 98 1HE LYS 98 0.867 -5.383 -1.358 262 2HE LYS 98 2HE LYS 98 -0.467 -5.852 -2.409 263 1HZ LYS 98 1HZ LYS 98 -0.884 -5.824 0.498 264 2HZ LYS 98 2HZ LYS 98 -0.885 -4.355 -0.341 265 3HZ LYS 98 3HZ LYS 98 -1.998 -5.563 -0.749 266 H GLN 99 H GLN 99 1.840 -5.336 -4.967 267 HA GLN 99 HA GLN 99 -0.832 -4.617 -4.986 268 1HB GLN 99 1HB GLN 99 0.013 -2.638 -6.433 269 2HB GLN 99 2HB GLN 99 0.617 -2.822 -4.792 270 1HG GLN 99 1HG GLN 99 2.314 -4.272 -6.563 271 2HG GLN 99 2HG GLN 99 2.082 -2.643 -7.195 272 1HE2 GLN 99 1HE2 GLN 99 1.787 -1.264 -4.794 273 2HE2 GLN 99 2HE2 GLN 99 3.295 -1.286 -3.951 274 H CYS 100 H CYS 100 1.109 -5.934 -7.582 275 HA CYS 100 HA CYS 100 -1.030 -5.475 -9.521 276 1HB CYS 100 1HB CYS 100 1.723 -6.686 -9.849 277 2HB CYS 100 2HB CYS 100 0.571 -6.440 -11.158 278 H ALA 101 H ALA 101 -1.075 -7.455 -7.182 279 HA ALA 101 HA ALA 101 -1.117 -10.041 -8.429 280 1HB ALA 101 1HB ALA 101 -0.544 -9.620 -6.022 281 2HB ALA 101 2HB ALA 101 -2.257 -9.305 -5.742 282 3HB ALA 101 3HB ALA 101 -1.732 -10.894 -6.299 283 H TYR 102 H TYR 102 -3.423 -7.515 -7.843 284 HA TYR 102 HA TYR 102 -5.783 -9.065 -8.003 285 1HB TYR 102 1HB TYR 102 -6.936 -6.950 -8.348 286 2HB TYR 102 2HB TYR 102 -5.721 -6.774 -7.086 287 HD1 TYR 102 HD1 TYR 102 -6.400 -6.092 -10.670 288 HD2 TYR 102 HD2 TYR 102 -4.023 -5.153 -7.268 289 HE1 TYR 102 HE1 TYR 102 -5.434 -4.181 -11.879 290 HE2 TYR 102 HE2 TYR 102 -3.053 -3.238 -8.468 291 HH TYR 102 HH TYR 102 -4.292 -1.818 -10.976 292 H PHE 103 H PHE 103 -3.495 -8.281 -10.372 293 HA PHE 103 HA PHE 103 -5.418 -8.403 -12.563 294 1HB PHE 103 1HB PHE 103 -3.279 -6.852 -12.338 295 2HB PHE 103 2HB PHE 103 -2.475 -8.254 -13.034 296 HD1 PHE 103 HD1 PHE 103 -4.188 -9.294 -15.007 297 HD2 PHE 103 HD2 PHE 103 -3.621 -5.227 -13.898 298 HE1 PHE 103 HE1 PHE 103 -4.915 -8.589 -17.249 299 HE2 PHE 103 HE2 PHE 103 -4.351 -4.511 -16.138 300 HZ PHE 103 HZ PHE 103 -4.998 -6.193 -17.817 301 H CYS 104 H CYS 104 -2.223 -9.923 -12.071 302 HA CYS 104 HA CYS 104 -3.407 -12.483 -12.917 303 1HB CYS 104 1HB CYS 104 -0.685 -11.465 -13.759 304 2HB CYS 104 2HB CYS 104 -1.418 -12.995 -14.223 305 H GLU 105 H GLU 105 -3.477 -13.277 -10.819 306 HA GLU 105 HA GLU 105 -1.045 -14.401 -9.840 307 1HB GLU 105 1HB GLU 105 -1.782 -11.826 -8.849 308 2HB GLU 105 2HB GLU 105 -1.975 -12.993 -7.550 309 1HG GLU 105 1HG GLU 105 0.376 -13.789 -8.168 310 2HG GLU 105 2HG GLU 105 0.501 -12.284 -9.077 311 H ASN 106 H ASN 106 -1.638 -15.104 -7.334 312 HA ASN 106 HA ASN 106 -3.312 -17.252 -7.503 313 1HB ASN 106 1HB ASN 106 -3.497 -17.064 -4.972 314 2HB ASN 106 2HB ASN 106 -1.863 -17.096 -5.630 315 1HD2 ASN 106 1HD2 ASN 106 -0.626 -15.209 -5.615 316 2HD2 ASN 106 2HD2 ASN 106 -1.026 -13.863 -4.608 317 H LYS 107 H LYS 107 -4.187 -14.037 -6.250 318 HA LYS 107 HA LYS 107 -7.020 -14.783 -6.571 319 1HB LYS 107 1HB LYS 107 -7.528 -13.106 -4.848 320 2HB LYS 107 2HB LYS 107 -6.441 -14.348 -4.243 321 1HG LYS 107 1HG LYS 107 -4.832 -12.876 -3.801 322 2HG LYS 107 2HG LYS 107 -5.026 -12.067 -5.359 323 1HD LYS 107 1HD LYS 107 -7.021 -11.675 -3.156 324 2HD LYS 107 2HD LYS 107 -5.525 -10.741 -3.200 325 1HE LYS 107 1HE LYS 107 -6.282 -9.427 -4.837 326 2HE LYS 107 2HE LYS 107 -6.870 -10.799 -5.774 327 1HZ LYS 107 1HZ LYS 107 -8.292 -9.521 -3.501 328 2HZ LYS 107 2HZ LYS 107 -8.670 -9.323 -5.138 329 3HZ LYS 107 3HZ LYS 107 -8.859 -10.835 -4.403 330 H LEU 108 H LEU 108 -8.383 -13.427 -7.671 331 HA LEU 108 HA LEU 108 -7.533 -10.809 -8.523 332 1HB LEU 108 1HB LEU 108 -7.892 -11.404 -10.967 333 2HB LEU 108 2HB LEU 108 -6.389 -11.927 -10.232 334 HG LEU 108 HG LEU 108 -8.116 -14.080 -9.854 335 1HD1 LEU 108 1HD1 LEU 108 -9.367 -12.632 -11.755 336 2HD1 LEU 108 2HD1 LEU 108 -8.299 -13.619 -12.753 337 3HD1 LEU 108 3HD1 LEU 108 -9.436 -14.392 -11.647 338 1HD2 LEU 108 1HD2 LEU 108 -5.756 -13.432 -11.505 339 2HD2 LEU 108 2HD2 LEU 108 -6.009 -14.736 -10.346 340 3HD2 LEU 108 3HD2 LEU 108 -6.674 -14.862 -11.975 341 H ARG 109 H ARG 109 -9.839 -13.456 -9.034 342 HA ARG 109 HA ARG 109 -12.033 -11.603 -8.589 343 1HB ARG 109 1HB ARG 109 -11.337 -12.677 -11.212 344 2HB ARG 109 2HB ARG 109 -12.990 -13.056 -10.746 345 1HG ARG 109 1HG ARG 109 -13.432 -10.684 -10.367 346 2HG ARG 109 2HG ARG 109 -11.771 -10.302 -10.826 347 1HD ARG 109 1HD ARG 109 -12.397 -10.201 -12.953 348 2HD ARG 109 2HD ARG 109 -12.864 -11.899 -12.887 349 HE ARG 109 HE ARG 109 -14.997 -10.638 -11.812 350 1HH1 ARG 109 1HH1 ARG 109 -13.214 -10.188 -14.779 351 2HH1 ARG 109 2HH1 ARG 109 -14.583 -9.599 -15.660 352 1HH2 ARG 109 1HH2 ARG 109 -16.799 -9.864 -12.969 353 2HH2 ARG 109 2HH2 ARG 109 -16.618 -9.413 -14.632 Start of MODEL 4 1 1H GLY 64 1H GLY 64 0.623 5.871 -1.176 2 2H GLY 64 2H GLY 64 1.795 5.148 -0.194 3 3H GLY 64 3H GLY 64 0.168 4.721 -0.021 4 1HA GLY 64 1HA GLY 64 1.600 3.079 -1.251 5 2HA GLY 64 2HA GLY 64 0.108 3.568 -2.038 6 H SER 65 H SER 65 0.267 5.314 -3.651 7 HA SER 65 HA SER 65 2.790 5.078 -5.138 8 1HB SER 65 1HB SER 65 1.403 5.826 -7.104 9 2HB SER 65 2HB SER 65 0.925 4.272 -6.420 10 HG SER 65 HG SER 65 -0.370 6.760 -6.275 11 HA PRO 66 HA PRO 66 3.277 9.359 -3.675 12 1HB PRO 66 1HB PRO 66 5.783 9.627 -4.809 13 2HB PRO 66 2HB PRO 66 5.471 9.011 -3.184 14 1HG PRO 66 1HG PRO 66 6.018 7.513 -5.707 15 2HG PRO 66 2HG PRO 66 6.565 7.172 -4.056 16 1HD PRO 66 1HD PRO 66 4.555 5.803 -5.203 17 2HD PRO 66 2HD PRO 66 4.566 6.171 -3.466 18 H TRP 67 H TRP 67 4.890 8.690 -6.785 19 HA TRP 67 HA TRP 67 3.404 10.953 -7.928 20 1HB TRP 67 1HB TRP 67 5.910 9.696 -9.046 21 2HB TRP 67 2HB TRP 67 5.188 11.237 -9.496 22 HD1 TRP 67 HD1 TRP 67 5.693 13.332 -7.946 23 HE1 TRP 67 HE1 TRP 67 7.409 13.738 -6.071 24 HE3 TRP 67 HE3 TRP 67 7.121 8.502 -7.099 25 HZ2 TRP 67 HZ2 TRP 67 9.141 12.208 -4.446 26 HZ3 TRP 67 HZ3 TRP 67 8.814 8.055 -5.368 27 HH2 TRP 67 HH2 TRP 67 9.802 9.872 -4.069 28 H SER 68 H SER 68 3.019 10.747 -10.345 29 HA SER 68 HA SER 68 2.843 8.248 -11.608 30 1HB SER 68 1HB SER 68 1.119 7.910 -9.795 31 2HB SER 68 2HB SER 68 0.174 9.195 -10.548 32 HG SER 68 HG SER 68 -0.602 7.487 -11.568 33 H LEU 69 H LEU 69 3.751 10.597 -12.513 34 HA LEU 69 HA LEU 69 1.644 11.810 -14.141 35 1HB LEU 69 1HB LEU 69 4.061 12.754 -12.931 36 2HB LEU 69 2HB LEU 69 4.158 13.008 -14.663 37 HG LEU 69 HG LEU 69 1.713 13.999 -14.269 38 1HD1 LEU 69 1HD1 LEU 69 2.087 13.408 -11.758 39 2HD1 LEU 69 2HD1 LEU 69 3.027 14.899 -11.747 40 3HD1 LEU 69 3HD1 LEU 69 1.324 14.934 -12.204 41 1HD2 LEU 69 1HD2 LEU 69 3.995 15.027 -15.073 42 2HD2 LEU 69 2HD2 LEU 69 2.645 16.063 -14.612 43 3HD2 LEU 69 3HD2 LEU 69 3.966 15.779 -13.478 44 H SER 70 H SER 70 4.396 9.714 -14.375 45 HA SER 70 HA SER 70 4.529 9.930 -17.271 46 1HB SER 70 1HB SER 70 6.161 8.601 -15.156 47 2HB SER 70 2HB SER 70 6.218 7.928 -16.784 48 HG SER 70 HG SER 70 6.632 10.675 -16.225 49 H CYS 71 H CYS 71 2.048 9.157 -16.721 50 HA CYS 71 HA CYS 71 1.882 6.580 -17.955 51 1HB CYS 71 1HB CYS 71 1.393 6.874 -15.040 52 2HB CYS 71 2HB CYS 71 0.251 5.886 -15.943 53 H ARG 72 H ARG 72 -0.648 5.879 -17.691 54 HA ARG 72 HA ARG 72 -2.157 8.277 -18.492 55 1HB ARG 72 1HB ARG 72 -2.379 5.407 -19.395 56 2HB ARG 72 2HB ARG 72 -3.604 6.616 -19.750 57 1HG ARG 72 1HG ARG 72 -2.413 6.855 -21.641 58 2HG ARG 72 2HG ARG 72 -1.426 7.911 -20.630 59 1HD ARG 72 1HD ARG 72 0.300 6.447 -20.546 60 2HD ARG 72 2HD ARG 72 -0.758 5.036 -20.568 61 HE ARG 72 HE ARG 72 -0.495 4.943 -22.829 62 1HH1 ARG 72 1HH1 ARG 72 0.340 8.158 -21.762 63 2HH1 ARG 72 2HH1 ARG 72 0.880 8.673 -23.323 64 1HH2 ARG 72 1HH2 ARG 72 0.217 5.616 -24.885 65 2HH2 ARG 72 2HH2 ARG 72 0.812 7.229 -25.098 66 H LYS 73 H LYS 73 -4.646 7.765 -18.318 67 HA LYS 73 HA LYS 73 -5.261 7.649 -15.585 68 1HB LYS 73 1HB LYS 73 -6.576 8.534 -17.756 69 2HB LYS 73 2HB LYS 73 -7.411 7.003 -17.520 70 1HG LYS 73 1HG LYS 73 -8.510 7.744 -15.723 71 2HG LYS 73 2HG LYS 73 -7.085 8.551 -15.066 72 1HD LYS 73 1HD LYS 73 -8.317 10.399 -15.536 73 2HD LYS 73 2HD LYS 73 -7.574 10.182 -17.121 74 1HE LYS 73 1HE LYS 73 -9.513 9.535 -18.090 75 2HE LYS 73 2HE LYS 73 -10.076 8.694 -16.646 76 1HZ LYS 73 1HZ LYS 73 -10.035 11.648 -16.940 77 2HZ LYS 73 2HZ LYS 73 -11.396 10.685 -17.225 78 3HZ LYS 73 3HZ LYS 73 -10.724 10.761 -15.675 79 H GLU 74 H GLU 74 -4.707 5.125 -17.812 80 HA GLU 74 HA GLU 74 -6.367 3.079 -17.154 81 1HB GLU 74 1HB GLU 74 -3.401 3.061 -17.666 82 2HB GLU 74 2HB GLU 74 -4.311 1.575 -17.432 83 1HG GLU 74 1HG GLU 74 -5.805 2.860 -19.316 84 2HG GLU 74 2HG GLU 74 -4.167 3.350 -19.744 85 H GLN 75 H GLN 75 -6.640 1.622 -15.520 86 HA GLN 75 HA GLN 75 -5.645 2.390 -12.930 87 1HB GLN 75 1HB GLN 75 -7.940 1.145 -13.846 88 2HB GLN 75 2HB GLN 75 -7.065 -0.158 -13.054 89 1HG GLN 75 1HG GLN 75 -7.043 0.983 -10.988 90 2HG GLN 75 2HG GLN 75 -7.576 2.488 -11.734 91 1HE2 GLN 75 1HE2 GLN 75 -8.858 1.416 -9.544 92 2HE2 GLN 75 2HE2 GLN 75 -10.435 0.885 -10.007 93 H GLY 76 H GLY 76 -4.988 -0.108 -15.282 94 1HA GLY 76 1HA GLY 76 -3.477 -1.769 -13.492 95 2HA GLY 76 2HA GLY 76 -3.544 -1.912 -15.242 96 H LYS 77 H LYS 77 -2.327 0.446 -12.855 97 HA LYS 77 HA LYS 77 0.336 0.226 -13.984 98 1HB LYS 77 1HB LYS 77 -1.229 2.811 -14.045 99 2HB LYS 77 2HB LYS 77 0.510 2.711 -14.278 100 1HG LYS 77 1HG LYS 77 -1.492 1.284 -16.012 101 2HG LYS 77 2HG LYS 77 -0.825 2.877 -16.375 102 1HD LYS 77 1HD LYS 77 1.425 1.395 -15.862 103 2HD LYS 77 2HD LYS 77 0.374 0.226 -16.665 104 1HE LYS 77 1HE LYS 77 0.383 2.843 -17.952 105 2HE LYS 77 2HE LYS 77 1.975 2.086 -17.910 106 1HZ LYS 77 1HZ LYS 77 -0.261 0.399 -18.717 107 2HZ LYS 77 2HZ LYS 77 0.212 1.599 -19.810 108 3HZ LYS 77 3HZ LYS 77 1.330 0.439 -19.295 109 H PHE 78 H PHE 78 1.936 1.479 -12.720 110 HA PHE 78 HA PHE 78 1.150 2.516 -10.161 111 1HB PHE 78 1HB PHE 78 2.130 0.895 -8.744 112 2HB PHE 78 2HB PHE 78 1.146 -0.015 -9.883 113 HD1 PHE 78 HD1 PHE 78 2.292 -1.150 -11.825 114 HD2 PHE 78 HD2 PHE 78 4.420 0.489 -8.525 115 HE1 PHE 78 HE1 PHE 78 4.248 -2.528 -12.403 116 HE2 PHE 78 HE2 PHE 78 6.378 -0.886 -9.098 117 HZ PHE 78 HZ PHE 78 6.292 -2.399 -11.038 118 H TYR 79 H TYR 79 3.140 3.105 -8.839 119 HA TYR 79 HA TYR 79 5.305 3.897 -10.677 120 1HB TYR 79 1HB TYR 79 3.836 5.754 -9.778 121 2HB TYR 79 2HB TYR 79 4.479 5.384 -8.182 122 HD1 TYR 79 HD1 TYR 79 7.119 5.346 -8.041 123 HD2 TYR 79 HD2 TYR 79 4.889 7.381 -11.039 124 HE1 TYR 79 HE1 TYR 79 9.048 6.809 -8.474 125 HE2 TYR 79 HE2 TYR 79 6.811 8.850 -11.480 126 HH TYR 79 HH TYR 79 9.463 9.076 -9.416 127 H ASP 80 H ASP 80 7.274 3.187 -10.225 128 HA ASP 80 HA ASP 80 7.728 1.848 -7.662 129 1HB ASP 80 1HB ASP 80 8.236 0.560 -9.675 130 2HB ASP 80 2HB ASP 80 9.336 1.814 -10.229 131 H HIS 81 H HIS 81 8.742 2.897 -6.093 132 HA HIS 81 HA HIS 81 9.873 5.462 -6.448 133 1HB HIS 81 1HB HIS 81 10.367 5.406 -4.103 134 2HB HIS 81 2HB HIS 81 8.806 4.631 -4.345 135 HD1 HIS 81 HD1 HIS 81 8.960 1.888 -4.412 136 HD2 HIS 81 HD2 HIS 81 12.103 3.942 -2.632 137 HE1 HIS 81 HE1 HIS 81 10.150 0.192 -2.988 138 HE2 HIS 81 HE2 HIS 81 11.961 1.492 -1.815 139 H LEU 82 H LEU 82 11.400 2.308 -5.775 140 HA LEU 82 HA LEU 82 14.036 3.282 -5.721 141 1HB LEU 82 1HB LEU 82 14.751 1.029 -5.795 142 2HB LEU 82 2HB LEU 82 13.264 1.059 -4.869 143 HG LEU 82 HG LEU 82 12.880 0.505 -7.728 144 1HD1 LEU 82 1HD1 LEU 82 14.401 -1.425 -5.986 145 2HD1 LEU 82 2HD1 LEU 82 13.647 -1.834 -7.527 146 3HD1 LEU 82 3HD1 LEU 82 14.969 -0.666 -7.473 147 1HD2 LEU 82 1HD2 LEU 82 11.119 0.365 -5.995 148 2HD2 LEU 82 2HD2 LEU 82 11.355 -1.150 -6.866 149 3HD2 LEU 82 3HD2 LEU 82 12.008 -0.956 -5.240 150 H LEU 83 H LEU 83 11.902 2.872 -8.341 151 HA LEU 83 HA LEU 83 14.118 2.828 -10.267 152 1HB LEU 83 1HB LEU 83 11.177 2.263 -10.587 153 2HB LEU 83 2HB LEU 83 12.286 2.383 -11.939 154 HG LEU 83 HG LEU 83 12.322 0.319 -9.739 155 1HD1 LEU 83 1HD1 LEU 83 11.411 0.392 -12.547 156 2HD1 LEU 83 2HD1 LEU 83 12.270 -1.058 -12.030 157 3HD1 LEU 83 3HD1 LEU 83 10.812 -0.547 -11.180 158 1HD2 LEU 83 1HD2 LEU 83 14.291 0.793 -11.972 159 2HD2 LEU 83 2HD2 LEU 83 14.605 0.896 -10.240 160 3HD2 LEU 83 3HD2 LEU 83 14.230 -0.662 -10.976 161 H ARG 84 H ARG 84 11.565 4.786 -8.997 162 HA ARG 84 HA ARG 84 11.041 6.980 -9.283 163 1HB ARG 84 1HB ARG 84 13.448 7.170 -11.093 164 2HB ARG 84 2HB ARG 84 12.642 8.486 -10.251 165 1HG ARG 84 1HG ARG 84 13.982 8.219 -8.513 166 2HG ARG 84 2HG ARG 84 13.437 6.551 -8.326 167 1HD ARG 84 1HD ARG 84 15.103 6.120 -10.307 168 2HD ARG 84 2HD ARG 84 15.831 7.624 -9.744 169 HE ARG 84 HE ARG 84 15.377 5.706 -7.653 170 1HH1 ARG 84 1HH1 ARG 84 17.591 6.759 -10.136 171 2HH1 ARG 84 2HH1 ARG 84 18.981 6.075 -9.363 172 1HH2 ARG 84 1HH2 ARG 84 17.203 4.807 -6.634 173 2HH2 ARG 84 2HH2 ARG 84 18.761 4.965 -7.373 174 H ASP 85 H ASP 85 10.476 4.731 -11.363 175 HA ASP 85 HA ASP 85 9.445 6.549 -13.440 176 1HB ASP 85 1HB ASP 85 10.753 3.864 -13.684 177 2HB ASP 85 2HB ASP 85 9.545 4.348 -14.870 178 H CYS 86 H CYS 86 7.590 5.436 -14.687 179 HA CYS 86 HA CYS 86 5.750 4.330 -12.682 180 1HB CYS 86 1HB CYS 86 5.100 6.455 -13.825 181 2HB CYS 86 2HB CYS 86 5.070 5.578 -15.351 182 H ILE 87 H ILE 87 6.100 2.180 -12.753 183 HA ILE 87 HA ILE 87 6.328 0.769 -15.266 184 HB ILE 87 HB ILE 87 6.243 -0.253 -12.428 185 1HG1 ILE 87 1HG1 ILE 87 8.703 -0.688 -12.930 186 2HG1 ILE 87 2HG1 ILE 87 8.496 0.352 -14.333 187 1HG2 ILE 87 1HG2 ILE 87 5.488 -1.951 -14.006 188 2HG2 ILE 87 2HG2 ILE 87 6.944 -1.709 -14.971 189 3HG2 ILE 87 3HG2 ILE 87 7.066 -2.363 -13.337 190 1HD1 ILE 87 1HD1 ILE 87 7.756 1.310 -11.602 191 2HD1 ILE 87 2HD1 ILE 87 9.428 1.354 -12.163 192 3HD1 ILE 87 3HD1 ILE 87 8.182 2.244 -13.037 193 H SER 88 H SER 88 4.897 -0.810 -16.028 194 HA SER 88 HA SER 88 2.119 -0.352 -15.268 195 1HB SER 88 1HB SER 88 3.040 -2.127 -17.521 196 2HB SER 88 2HB SER 88 1.515 -1.256 -17.358 197 HG SER 88 HG SER 88 3.977 -0.374 -18.256 198 H CYS 89 H CYS 89 0.657 -2.319 -15.313 199 HA CYS 89 HA CYS 89 1.920 -4.449 -13.725 200 1HB CYS 89 1HB CYS 89 -0.901 -3.384 -13.790 201 2HB CYS 89 2HB CYS 89 -0.491 -4.909 -13.013 202 H ALA 90 H ALA 90 -0.543 -3.915 -16.234 203 HA ALA 90 HA ALA 90 -1.100 -6.581 -16.820 204 1HB ALA 90 1HB ALA 90 -1.953 -4.155 -17.765 205 2HB ALA 90 2HB ALA 90 -1.119 -4.836 -19.161 206 3HB ALA 90 3HB ALA 90 -2.435 -5.729 -18.399 207 H SER 91 H SER 91 1.582 -4.565 -17.780 208 HA SER 91 HA SER 91 2.508 -6.295 -19.862 209 1HB SER 91 1HB SER 91 3.331 -3.763 -18.654 210 2HB SER 91 2HB SER 91 4.695 -4.789 -19.097 211 HG SER 91 HG SER 91 2.559 -4.280 -20.876 212 H ILE 92 H ILE 92 2.812 -6.258 -16.432 213 HA ILE 92 HA ILE 92 4.955 -8.275 -16.595 214 HB ILE 92 HB ILE 92 5.284 -7.707 -14.116 215 1HG1 ILE 92 1HG1 ILE 92 3.817 -5.213 -15.005 216 2HG1 ILE 92 2HG1 ILE 92 3.207 -6.400 -13.856 217 1HG2 ILE 92 1HG2 ILE 92 6.644 -6.995 -16.236 218 2HG2 ILE 92 2HG2 ILE 92 6.027 -5.392 -15.838 219 3HG2 ILE 92 3HG2 ILE 92 6.996 -6.281 -14.662 220 1HD1 ILE 92 1HD1 ILE 92 5.091 -5.875 -12.362 221 2HD1 ILE 92 2HD1 ILE 92 5.614 -4.633 -13.500 222 3HD1 ILE 92 3HD1 ILE 92 4.058 -4.482 -12.684 223 H CYS 93 H CYS 93 1.959 -8.609 -16.774 224 HA CYS 93 HA CYS 93 1.008 -9.755 -14.388 225 1HB CYS 93 1HB CYS 93 0.172 -9.798 -17.234 226 2HB CYS 93 2HB CYS 93 -0.451 -11.085 -16.206 227 H GLY 94 H GLY 94 1.736 -11.466 -13.358 228 1HA GLY 94 1HA GLY 94 1.943 -13.907 -13.419 229 2HA GLY 94 2HA GLY 94 2.779 -13.721 -14.953 230 H GLN 95 H GLN 95 4.286 -11.378 -13.931 231 HA GLN 95 HA GLN 95 5.997 -12.616 -11.903 232 1HB GLN 95 1HB GLN 95 6.969 -11.570 -14.569 233 2HB GLN 95 2HB GLN 95 8.020 -11.988 -13.223 234 1HG GLN 95 1HG GLN 95 6.128 -14.074 -14.098 235 2HG GLN 95 2HG GLN 95 7.425 -13.666 -15.220 236 1HE2 GLN 95 1HE2 GLN 95 6.597 -15.731 -12.867 237 2HE2 GLN 95 2HE2 GLN 95 8.156 -16.137 -12.244 238 H HIS 96 H HIS 96 4.275 -10.644 -11.312 239 HA HIS 96 HA HIS 96 5.975 -8.242 -11.118 240 1HB HIS 96 1HB HIS 96 3.836 -6.947 -10.959 241 2HB HIS 96 2HB HIS 96 4.083 -7.728 -12.517 242 HD1 HIS 96 HD1 HIS 96 1.838 -8.382 -13.315 243 HD2 HIS 96 HD2 HIS 96 2.344 -9.210 -9.276 244 HE1 HIS 96 HE1 HIS 96 -0.249 -9.595 -12.609 245 HE2 HIS 96 HE2 HIS 96 0.046 -10.019 -10.144 246 HA PRO 97 HA PRO 97 5.763 -8.460 -6.726 247 1HB PRO 97 1HB PRO 97 5.279 -5.858 -6.017 248 2HB PRO 97 2HB PRO 97 6.858 -6.463 -6.528 249 1HG PRO 97 1HG PRO 97 4.790 -4.990 -8.109 250 2HG PRO 97 2HG PRO 97 6.551 -4.787 -8.106 251 1HD PRO 97 1HD PRO 97 5.279 -6.134 -10.056 252 2HD PRO 97 2HD PRO 97 6.890 -6.613 -9.487 253 H LYS 98 H LYS 98 4.358 -7.626 -4.794 254 HA LYS 98 HA LYS 98 1.756 -8.631 -5.149 255 1HB LYS 98 1HB LYS 98 3.136 -8.494 -3.000 256 2HB LYS 98 2HB LYS 98 2.586 -6.828 -2.884 257 1HG LYS 98 1HG LYS 98 0.223 -8.003 -3.207 258 2HG LYS 98 2HG LYS 98 1.099 -9.355 -2.488 259 1HD LYS 98 1HD LYS 98 0.177 -8.232 -0.655 260 2HD LYS 98 2HD LYS 98 1.849 -7.671 -0.706 261 1HE LYS 98 1HE LYS 98 0.752 -5.798 -2.247 262 2HE LYS 98 2HE LYS 98 -0.669 -6.215 -1.292 263 1HZ LYS 98 1HZ LYS 98 1.240 -5.986 0.591 264 2HZ LYS 98 2HZ LYS 98 1.718 -4.798 -0.514 265 3HZ LYS 98 3HZ LYS 98 0.165 -4.754 0.157 266 H GLN 99 H GLN 99 3.060 -5.449 -5.535 267 HA GLN 99 HA GLN 99 0.756 -3.907 -5.141 268 1HB GLN 99 1HB GLN 99 3.287 -3.271 -5.625 269 2HB GLN 99 2HB GLN 99 2.691 -3.136 -7.273 270 1HG GLN 99 1HG GLN 99 1.616 -1.228 -6.855 271 2HG GLN 99 2HG GLN 99 1.003 -1.799 -5.304 272 1HE2 GLN 99 1HE2 GLN 99 3.249 -2.297 -3.897 273 2HE2 GLN 99 2HE2 GLN 99 4.157 -0.845 -3.669 274 H CYS 100 H CYS 100 1.942 -5.624 -7.990 275 HA CYS 100 HA CYS 100 -0.366 -4.734 -9.546 276 1HB CYS 100 1HB CYS 100 2.145 -6.244 -10.248 277 2HB CYS 100 2HB CYS 100 0.803 -6.086 -11.377 278 H ALA 101 H ALA 101 -0.609 -6.607 -7.253 279 HA ALA 101 HA ALA 101 -1.150 -9.199 -8.360 280 1HB ALA 101 1HB ALA 101 -1.543 -7.934 -5.677 281 2HB ALA 101 2HB ALA 101 -2.277 -9.494 -6.049 282 3HB ALA 101 3HB ALA 101 -0.526 -9.302 -6.130 283 H TYR 102 H TYR 102 -2.992 -6.306 -7.688 284 HA TYR 102 HA TYR 102 -5.578 -7.382 -7.764 285 1HB TYR 102 1HB TYR 102 -6.323 -5.101 -8.268 286 2HB TYR 102 2HB TYR 102 -5.106 -5.102 -6.995 287 HD1 TYR 102 HD1 TYR 102 -5.614 -4.487 -10.620 288 HD2 TYR 102 HD2 TYR 102 -3.117 -3.863 -7.231 289 HE1 TYR 102 HE1 TYR 102 -4.279 -2.873 -11.909 290 HE2 TYR 102 HE2 TYR 102 -1.777 -2.246 -8.508 291 HH TYR 102 HH TYR 102 -1.378 -1.372 -10.546 292 H PHE 103 H PHE 103 -3.274 -6.922 -10.272 293 HA PHE 103 HA PHE 103 -5.251 -6.902 -12.392 294 1HB PHE 103 1HB PHE 103 -2.854 -5.769 -12.305 295 2HB PHE 103 2HB PHE 103 -2.347 -7.333 -12.935 296 HD1 PHE 103 HD1 PHE 103 -4.513 -8.066 -14.721 297 HD2 PHE 103 HD2 PHE 103 -2.713 -4.271 -14.041 298 HE1 PHE 103 HE1 PHE 103 -5.164 -7.358 -16.985 299 HE2 PHE 103 HE2 PHE 103 -3.361 -3.554 -16.304 300 HZ PHE 103 HZ PHE 103 -4.588 -5.098 -17.780 301 H CYS 104 H CYS 104 -2.383 -8.970 -11.891 302 HA CYS 104 HA CYS 104 -4.055 -11.303 -12.524 303 1HB CYS 104 1HB CYS 104 -1.258 -10.926 -13.598 304 2HB CYS 104 2HB CYS 104 -2.390 -12.211 -13.995 305 H GLU 105 H GLU 105 -4.091 -12.076 -10.440 306 HA GLU 105 HA GLU 105 -1.788 -13.507 -9.563 307 1HB GLU 105 1HB GLU 105 -2.216 -10.837 -8.519 308 2HB GLU 105 2HB GLU 105 -2.261 -12.037 -7.235 309 1HG GLU 105 1HG GLU 105 -0.058 -12.444 -9.088 310 2HG GLU 105 2HG GLU 105 -0.014 -10.870 -8.294 311 H ASN 106 H ASN 106 -2.298 -14.148 -7.060 312 HA ASN 106 HA ASN 106 -4.487 -15.875 -7.185 313 1HB ASN 106 1HB ASN 106 -4.152 -15.839 -4.558 314 2HB ASN 106 2HB ASN 106 -2.973 -16.600 -5.618 315 1HD2 ASN 106 1HD2 ASN 106 -3.411 -13.133 -5.204 316 2HD2 ASN 106 2HD2 ASN 106 -1.878 -12.846 -4.462 317 H LYS 107 H LYS 107 -6.302 -14.655 -7.816 318 HA LYS 107 HA LYS 107 -8.016 -13.881 -5.752 319 1HB LYS 107 1HB LYS 107 -8.170 -11.468 -6.077 320 2HB LYS 107 2HB LYS 107 -6.553 -11.918 -5.557 321 1HG LYS 107 1HG LYS 107 -5.660 -11.580 -7.717 322 2HG LYS 107 2HG LYS 107 -7.265 -11.478 -8.442 323 1HD LYS 107 1HD LYS 107 -6.303 -9.527 -6.365 324 2HD LYS 107 2HD LYS 107 -6.025 -9.286 -8.091 325 1HE LYS 107 1HE LYS 107 -8.352 -9.182 -8.539 326 2HE LYS 107 2HE LYS 107 -8.759 -9.760 -6.924 327 1HZ LYS 107 1HZ LYS 107 -7.780 -7.694 -6.035 328 2HZ LYS 107 2HZ LYS 107 -7.555 -7.136 -7.616 329 3HZ LYS 107 3HZ LYS 107 -9.118 -7.411 -7.030 330 H LEU 108 H LEU 108 -7.136 -13.503 -9.138 331 HA LEU 108 HA LEU 108 -9.993 -13.590 -9.841 332 1HB LEU 108 1HB LEU 108 -8.108 -11.753 -10.604 333 2HB LEU 108 2HB LEU 108 -8.102 -12.861 -11.963 334 HG LEU 108 HG LEU 108 -9.628 -10.980 -12.328 335 1HD1 LEU 108 1HD1 LEU 108 -10.086 -13.562 -12.914 336 2HD1 LEU 108 2HD1 LEU 108 -11.531 -13.203 -11.970 337 3HD1 LEU 108 3HD1 LEU 108 -11.155 -12.246 -13.402 338 1HD2 LEU 108 1HD2 LEU 108 -10.161 -10.940 -9.760 339 2HD2 LEU 108 2HD2 LEU 108 -11.358 -10.405 -10.938 340 3HD2 LEU 108 3HD2 LEU 108 -11.474 -12.017 -10.233 341 H ARG 109 H ARG 109 -9.498 -15.981 -9.319 342 HA ARG 109 HA ARG 109 -8.750 -17.298 -11.843 343 1HB ARG 109 1HB ARG 109 -7.713 -17.743 -9.128 344 2HB ARG 109 2HB ARG 109 -8.207 -19.210 -9.960 345 1HG ARG 109 1HG ARG 109 -6.782 -18.012 -11.908 346 2HG ARG 109 2HG ARG 109 -5.942 -17.412 -10.477 347 1HD ARG 109 1HD ARG 109 -4.802 -19.342 -10.611 348 2HD ARG 109 2HD ARG 109 -6.234 -20.037 -9.853 349 HE ARG 109 HE ARG 109 -6.356 -19.950 -12.727 350 1HH1 ARG 109 1HH1 ARG 109 -5.312 -21.796 -9.954 351 2HH1 ARG 109 2HH1 ARG 109 -5.333 -23.308 -10.797 352 1HH2 ARG 109 1HH2 ARG 109 -6.381 -21.938 -13.836 353 2HH2 ARG 109 2HH2 ARG 109 -5.938 -23.389 -13.002 Start of MODEL 5 1 1H GLY 64 1H GLY 64 -0.589 6.715 -8.215 2 2H GLY 64 2H GLY 64 -1.268 8.038 -9.022 3 3H GLY 64 3H GLY 64 -2.004 7.432 -7.625 4 1HA GLY 64 1HA GLY 64 -0.582 9.558 -7.459 5 2HA GLY 64 2HA GLY 64 -0.454 8.326 -6.213 6 H SER 65 H SER 65 1.573 10.133 -6.574 7 HA SER 65 HA SER 65 3.752 8.355 -7.287 8 1HB SER 65 1HB SER 65 3.525 9.375 -9.409 9 2HB SER 65 2HB SER 65 3.225 10.963 -8.703 10 HG SER 65 HG SER 65 5.667 9.516 -8.669 11 HA PRO 66 HA PRO 66 5.365 10.496 -3.746 12 1HB PRO 66 1HB PRO 66 7.775 9.327 -3.607 13 2HB PRO 66 2HB PRO 66 6.289 8.442 -3.241 14 1HG PRO 66 1HG PRO 66 7.945 8.418 -5.728 15 2HG PRO 66 2HG PRO 66 7.157 7.068 -4.896 16 1HD PRO 66 1HD PRO 66 6.139 8.331 -7.119 17 2HD PRO 66 2HD PRO 66 5.159 7.448 -5.934 18 H TRP 67 H TRP 67 7.301 10.336 -6.722 19 HA TRP 67 HA TRP 67 8.460 12.944 -5.989 20 1HB TRP 67 1HB TRP 67 9.684 10.608 -7.427 21 2HB TRP 67 2HB TRP 67 10.327 12.235 -7.626 22 HD1 TRP 67 HD1 TRP 67 11.246 13.436 -5.299 23 HE1 TRP 67 HE1 TRP 67 12.383 12.356 -3.257 24 HE3 TRP 67 HE3 TRP 67 9.807 8.598 -6.044 25 HZ2 TRP 67 HZ2 TRP 67 12.633 9.783 -2.114 26 HZ3 TRP 67 HZ3 TRP 67 10.533 6.882 -4.434 27 HH2 TRP 67 HH2 TRP 67 11.919 7.465 -2.509 28 H SER 68 H SER 68 8.566 11.228 -9.084 29 HA SER 68 HA SER 68 7.625 13.625 -10.420 30 1HB SER 68 1HB SER 68 8.269 12.511 -12.479 31 2HB SER 68 2HB SER 68 9.564 12.330 -11.295 32 HG SER 68 HG SER 68 8.571 10.234 -10.819 33 H LEU 69 H LEU 69 5.513 13.957 -10.563 34 HA LEU 69 HA LEU 69 3.582 11.865 -10.400 35 1HB LEU 69 1HB LEU 69 3.554 14.808 -10.675 36 2HB LEU 69 2HB LEU 69 2.149 13.969 -11.305 37 HG LEU 69 HG LEU 69 2.394 12.799 -8.856 38 1HD1 LEU 69 1HD1 LEU 69 4.220 14.726 -8.584 39 2HD1 LEU 69 2HD1 LEU 69 2.781 15.638 -8.129 40 3HD1 LEU 69 3HD1 LEU 69 3.209 14.171 -7.251 41 1HD2 LEU 69 1HD2 LEU 69 0.878 15.302 -9.582 42 2HD2 LEU 69 2HD2 LEU 69 0.336 13.640 -9.806 43 3HD2 LEU 69 3HD2 LEU 69 0.548 14.287 -8.180 44 H SER 70 H SER 70 5.191 13.515 -13.004 45 HA SER 70 HA SER 70 3.419 13.056 -15.102 46 1HB SER 70 1HB SER 70 6.445 13.031 -15.213 47 2HB SER 70 2HB SER 70 5.361 13.273 -16.581 48 HG SER 70 HG SER 70 4.542 15.122 -15.288 49 H CYS 71 H CYS 71 2.473 11.121 -15.375 50 HA CYS 71 HA CYS 71 4.236 8.822 -15.867 51 1HB CYS 71 1HB CYS 71 1.796 8.923 -14.108 52 2HB CYS 71 2HB CYS 71 2.343 7.414 -14.828 53 H ARG 72 H ARG 72 2.656 6.948 -16.751 54 HA ARG 72 HA ARG 72 1.868 7.774 -19.310 55 1HB ARG 72 1HB ARG 72 0.907 5.285 -17.897 56 2HB ARG 72 2HB ARG 72 1.058 5.538 -19.630 57 1HG ARG 72 1HG ARG 72 3.607 5.994 -18.782 58 2HG ARG 72 2HG ARG 72 3.066 4.744 -17.660 59 1HD ARG 72 1HD ARG 72 3.399 3.213 -19.232 60 2HD ARG 72 2HD ARG 72 2.176 3.993 -20.235 61 HE ARG 72 HE ARG 72 4.628 5.361 -20.486 62 1HH1 ARG 72 1HH1 ARG 72 3.093 2.365 -21.405 63 2HH1 ARG 72 2HH1 ARG 72 4.051 2.166 -22.833 64 1HH2 ARG 72 1HH2 ARG 72 5.889 5.103 -22.365 65 2HH2 ARG 72 2HH2 ARG 72 5.640 3.719 -23.378 66 H LYS 73 H LYS 73 -0.287 7.618 -20.270 67 HA LYS 73 HA LYS 73 -2.225 8.999 -18.626 68 1HB LYS 73 1HB LYS 73 -1.573 9.088 -21.303 69 2HB LYS 73 2HB LYS 73 -3.091 8.201 -21.306 70 1HG LYS 73 1HG LYS 73 -3.993 10.093 -19.846 71 2HG LYS 73 2HG LYS 73 -2.551 10.984 -20.337 72 1HD LYS 73 1HD LYS 73 -3.172 10.727 -22.678 73 2HD LYS 73 2HD LYS 73 -4.592 9.787 -22.211 74 1HE LYS 73 1HE LYS 73 -5.346 11.794 -20.892 75 2HE LYS 73 2HE LYS 73 -4.037 12.695 -21.657 76 1HZ LYS 73 1HZ LYS 73 -5.046 11.997 -23.831 77 2HZ LYS 73 2HZ LYS 73 -6.391 11.455 -22.961 78 3HZ LYS 73 3HZ LYS 73 -5.964 13.092 -22.927 79 H GLU 74 H GLU 74 -1.699 5.795 -19.847 80 HA GLU 74 HA GLU 74 -4.285 4.762 -19.793 81 1HB GLU 74 1HB GLU 74 -1.616 3.468 -19.254 82 2HB GLU 74 2HB GLU 74 -3.117 2.556 -19.311 83 1HG GLU 74 1HG GLU 74 -3.398 3.693 -21.634 84 2HG GLU 74 2HG GLU 74 -1.657 3.940 -21.509 85 H GLN 75 H GLN 75 -5.512 3.722 -18.233 86 HA GLN 75 HA GLN 75 -5.310 4.747 -15.598 87 1HB GLN 75 1HB GLN 75 -7.245 3.377 -17.151 88 2HB GLN 75 2HB GLN 75 -7.006 2.437 -15.685 89 1HG GLN 75 1HG GLN 75 -8.768 3.938 -15.247 90 2HG GLN 75 2HG GLN 75 -7.358 4.556 -14.389 91 1HE2 GLN 75 1HE2 GLN 75 -9.864 5.794 -15.545 92 2HE2 GLN 75 2HE2 GLN 75 -9.283 7.133 -16.470 93 H GLY 76 H GLY 76 -5.148 1.363 -16.739 94 1HA GLY 76 1HA GLY 76 -4.205 0.324 -14.295 95 2HA GLY 76 2HA GLY 76 -4.091 -0.474 -15.856 96 H LYS 77 H LYS 77 -2.503 1.755 -13.651 97 HA LYS 77 HA LYS 77 0.078 0.843 -14.573 98 1HB LYS 77 1HB LYS 77 -1.026 3.303 -15.551 99 2HB LYS 77 2HB LYS 77 0.359 3.663 -14.531 100 1HG LYS 77 1HG LYS 77 1.555 3.331 -16.384 101 2HG LYS 77 2HG LYS 77 1.318 1.615 -16.047 102 1HD LYS 77 1HD LYS 77 -0.969 2.653 -17.433 103 2HD LYS 77 2HD LYS 77 0.500 3.066 -18.320 104 1HE LYS 77 1HE LYS 77 0.987 0.899 -18.794 105 2HE LYS 77 2HE LYS 77 0.294 0.302 -17.288 106 1HZ LYS 77 1HZ LYS 77 -1.896 1.156 -18.522 107 2HZ LYS 77 2HZ LYS 77 -0.968 0.725 -19.869 108 3HZ LYS 77 3HZ LYS 77 -1.305 -0.423 -18.674 109 H PHE 78 H PHE 78 1.555 0.865 -12.959 110 HA PHE 78 HA PHE 78 0.808 2.287 -10.490 111 1HB PHE 78 1HB PHE 78 1.519 0.500 -9.181 112 2HB PHE 78 2HB PHE 78 0.768 -0.311 -10.550 113 HD1 PHE 78 HD1 PHE 78 2.407 -0.947 -12.503 114 HD2 PHE 78 HD2 PHE 78 3.611 -0.151 -8.500 115 HE1 PHE 78 HE1 PHE 78 4.475 -2.223 -12.874 116 HE2 PHE 78 HE2 PHE 78 5.683 -1.424 -8.865 117 HZ PHE 78 HZ PHE 78 6.117 -2.463 -11.056 118 H TYR 79 H TYR 79 2.686 2.795 -9.055 119 HA TYR 79 HA TYR 79 4.977 3.647 -10.698 120 1HB TYR 79 1HB TYR 79 3.459 5.402 -9.582 121 2HB TYR 79 2HB TYR 79 4.203 4.893 -8.069 122 HD1 TYR 79 HD1 TYR 79 6.862 4.835 -8.138 123 HD2 TYR 79 HD2 TYR 79 4.413 7.171 -10.715 124 HE1 TYR 79 HE1 TYR 79 8.756 6.346 -8.560 125 HE2 TYR 79 HE2 TYR 79 6.300 8.687 -11.146 126 HH TYR 79 HH TYR 79 9.084 8.253 -10.974 127 H ASP 80 H ASP 80 6.948 2.948 -10.198 128 HA ASP 80 HA ASP 80 7.254 1.362 -7.739 129 1HB ASP 80 1HB ASP 80 7.629 0.306 -10.041 130 2HB ASP 80 2HB ASP 80 9.093 1.279 -10.128 131 H HIS 81 H HIS 81 8.190 2.444 -6.146 132 HA HIS 81 HA HIS 81 9.620 4.836 -6.434 133 1HB HIS 81 1HB HIS 81 10.150 4.620 -4.070 134 2HB HIS 81 2HB HIS 81 8.475 4.164 -4.357 135 HD1 HIS 81 HD1 HIS 81 8.022 1.503 -4.405 136 HD2 HIS 81 HD2 HIS 81 11.643 2.737 -2.783 137 HE1 HIS 81 HE1 HIS 81 8.871 -0.461 -3.085 138 HE2 HIS 81 HE2 HIS 81 11.103 0.280 -2.183 139 H LEU 82 H LEU 82 10.817 1.535 -5.808 140 HA LEU 82 HA LEU 82 13.519 2.127 -5.599 141 1HB LEU 82 1HB LEU 82 13.862 -0.235 -6.463 142 2HB LEU 82 2HB LEU 82 12.878 -0.049 -5.025 143 HG LEU 82 HG LEU 82 11.222 0.008 -7.388 144 1HD1 LEU 82 1HD1 LEU 82 13.151 -1.370 -8.243 145 2HD1 LEU 82 2HD1 LEU 82 12.742 -2.556 -7.004 146 3HD1 LEU 82 3HD1 LEU 82 11.574 -2.158 -8.264 147 1HD2 LEU 82 1HD2 LEU 82 11.396 -1.424 -4.797 148 2HD2 LEU 82 2HD2 LEU 82 10.056 -0.525 -5.508 149 3HD2 LEU 82 3HD2 LEU 82 10.423 -2.154 -6.073 150 H LEU 83 H LEU 83 11.492 2.140 -8.391 151 HA LEU 83 HA LEU 83 13.818 2.260 -10.176 152 1HB LEU 83 1HB LEU 83 10.880 1.871 -10.715 153 2HB LEU 83 2HB LEU 83 12.063 2.115 -11.984 154 HG LEU 83 HG LEU 83 11.885 -0.219 -10.083 155 1HD1 LEU 83 1HD1 LEU 83 11.182 0.273 -12.908 156 2HD1 LEU 83 2HD1 LEU 83 11.960 -1.268 -12.544 157 3HD1 LEU 83 3HD1 LEU 83 10.461 -0.822 -11.729 158 1HD2 LEU 83 1HD2 LEU 83 14.059 0.568 -12.008 159 2HD2 LEU 83 2HD2 LEU 83 14.202 0.191 -10.291 160 3HD2 LEU 83 3HD2 LEU 83 13.831 -1.089 -11.447 161 H ARG 84 H ARG 84 11.290 4.168 -8.798 162 HA ARG 84 HA ARG 84 10.863 6.400 -8.835 163 1HB ARG 84 1HB ARG 84 13.414 6.606 -10.444 164 2HB ARG 84 2HB ARG 84 12.559 7.945 -9.692 165 1HG ARG 84 1HG ARG 84 13.519 7.576 -7.724 166 2HG ARG 84 2HG ARG 84 13.174 5.847 -7.790 167 1HD ARG 84 1HD ARG 84 15.136 5.437 -9.095 168 2HD ARG 84 2HD ARG 84 15.425 7.165 -9.297 169 HE ARG 84 HE ARG 84 15.415 6.608 -6.562 170 1HH1 ARG 84 1HH1 ARG 84 17.328 5.874 -9.387 171 2HH1 ARG 84 2HH1 ARG 84 18.806 5.711 -8.498 172 1HH2 ARG 84 1HH2 ARG 84 17.355 6.393 -5.391 173 2HH2 ARG 84 2HH2 ARG 84 18.821 6.005 -6.229 174 H ASP 85 H ASP 85 10.313 4.434 -11.183 175 HA ASP 85 HA ASP 85 9.421 6.518 -13.065 176 1HB ASP 85 1HB ASP 85 11.024 4.152 -13.547 177 2HB ASP 85 2HB ASP 85 9.540 4.106 -14.493 178 H CYS 86 H CYS 86 7.622 5.503 -14.551 179 HA CYS 86 HA CYS 86 5.645 4.324 -12.725 180 1HB CYS 86 1HB CYS 86 4.852 5.469 -15.365 181 2HB CYS 86 2HB CYS 86 3.977 5.456 -13.840 182 H ILE 87 H ILE 87 5.733 2.178 -12.900 183 HA ILE 87 HA ILE 87 6.050 0.944 -15.533 184 HB ILE 87 HB ILE 87 6.041 -0.372 -12.817 185 1HG1 ILE 87 1HG1 ILE 87 8.544 -0.546 -13.298 186 2HG1 ILE 87 2HG1 ILE 87 8.283 0.687 -14.528 187 1HG2 ILE 87 1HG2 ILE 87 6.834 -1.378 -15.543 188 2HG2 ILE 87 2HG2 ILE 87 7.138 -2.234 -14.031 189 3HG2 ILE 87 3HG2 ILE 87 5.481 -1.933 -14.555 190 1HD1 ILE 87 1HD1 ILE 87 7.318 1.208 -11.768 191 2HD1 ILE 87 2HD1 ILE 87 9.047 1.314 -12.103 192 3HD1 ILE 87 3HD1 ILE 87 7.912 2.331 -12.992 193 H SER 88 H SER 88 4.676 -0.803 -16.197 194 HA SER 88 HA SER 88 1.897 -0.360 -15.422 195 1HB SER 88 1HB SER 88 2.866 -2.175 -17.630 196 2HB SER 88 2HB SER 88 1.289 -1.403 -17.464 197 HG SER 88 HG SER 88 3.693 -0.368 -18.392 198 H CYS 89 H CYS 89 0.462 -2.282 -15.215 199 HA CYS 89 HA CYS 89 1.839 -4.387 -13.691 200 1HB CYS 89 1HB CYS 89 -0.944 -3.252 -13.520 201 2HB CYS 89 2HB CYS 89 -0.536 -4.800 -12.789 202 H ALA 90 H ALA 90 -0.432 -3.787 -16.289 203 HA ALA 90 HA ALA 90 -1.198 -6.506 -16.665 204 1HB ALA 90 1HB ALA 90 -2.173 -4.142 -17.549 205 2HB ALA 90 2HB ALA 90 -1.348 -4.722 -18.996 206 3HB ALA 90 3HB ALA 90 -2.595 -5.711 -18.237 207 H SER 91 H SER 91 1.522 -4.614 -17.651 208 HA SER 91 HA SER 91 2.269 -6.371 -19.816 209 1HB SER 91 1HB SER 91 2.799 -3.766 -19.343 210 2HB SER 91 2HB SER 91 4.271 -4.493 -18.700 211 HG SER 91 HG SER 91 3.245 -5.140 -21.256 212 H ILE 92 H ILE 92 2.776 -6.236 -16.419 213 HA ILE 92 HA ILE 92 4.962 -8.198 -16.650 214 HB ILE 92 HB ILE 92 5.420 -7.595 -14.225 215 1HG1 ILE 92 1HG1 ILE 92 3.755 -5.175 -14.946 216 2HG1 ILE 92 2HG1 ILE 92 3.235 -6.457 -13.857 217 1HG2 ILE 92 1HG2 ILE 92 6.841 -6.876 -16.075 218 2HG2 ILE 92 2HG2 ILE 92 5.816 -5.461 -16.319 219 3HG2 ILE 92 3HG2 ILE 92 6.741 -5.634 -14.827 220 1HD1 ILE 92 1HD1 ILE 92 5.736 -5.593 -12.925 221 2HD1 ILE 92 2HD1 ILE 92 4.806 -4.143 -13.302 222 3HD1 ILE 92 3HD1 ILE 92 4.154 -5.344 -12.188 223 H CYS 93 H CYS 93 1.995 -8.670 -16.725 224 HA CYS 93 HA CYS 93 1.184 -9.816 -14.278 225 1HB CYS 93 1HB CYS 93 0.215 -9.901 -17.083 226 2HB CYS 93 2HB CYS 93 -0.317 -11.201 -16.019 227 H GLY 94 H GLY 94 2.017 -11.500 -13.281 228 1HA GLY 94 1HA GLY 94 2.267 -13.958 -13.413 229 2HA GLY 94 2HA GLY 94 3.121 -13.693 -14.924 230 H GLN 95 H GLN 95 4.513 -11.325 -13.820 231 HA GLN 95 HA GLN 95 6.197 -12.469 -11.734 232 1HB GLN 95 1HB GLN 95 7.079 -11.891 -14.533 233 2HB GLN 95 2HB GLN 95 8.207 -11.620 -13.212 234 1HG GLN 95 1HG GLN 95 6.928 -14.192 -12.973 235 2HG GLN 95 2HG GLN 95 7.708 -14.008 -14.544 236 1HE2 GLN 95 1HE2 GLN 95 9.964 -13.009 -14.376 237 2HE2 GLN 95 2HE2 GLN 95 10.985 -13.657 -13.143 238 H HIS 96 H HIS 96 4.586 -10.550 -11.095 239 HA HIS 96 HA HIS 96 6.201 -8.085 -11.150 240 1HB HIS 96 1HB HIS 96 4.002 -6.865 -10.921 241 2HB HIS 96 2HB HIS 96 4.260 -7.655 -12.472 242 HD1 HIS 96 HD1 HIS 96 2.023 -8.408 -13.211 243 HD2 HIS 96 HD2 HIS 96 2.675 -9.205 -9.186 244 HE1 HIS 96 HE1 HIS 96 0.013 -9.712 -12.450 245 HE2 HIS 96 HE2 HIS 96 0.383 -10.097 -9.988 246 HA PRO 97 HA PRO 97 6.187 -8.053 -6.746 247 1HB PRO 97 1HB PRO 97 5.681 -5.429 -6.161 248 2HB PRO 97 2HB PRO 97 7.244 -6.024 -6.730 249 1HG PRO 97 1HG PRO 97 5.050 -4.694 -8.267 250 2HG PRO 97 2HG PRO 97 6.803 -4.444 -8.373 251 1HD PRO 97 1HD PRO 97 5.463 -5.933 -10.172 252 2HD PRO 97 2HD PRO 97 7.119 -6.330 -9.673 253 H LYS 98 H LYS 98 4.844 -7.021 -4.815 254 HA LYS 98 HA LYS 98 2.270 -8.156 -4.937 255 1HB LYS 98 1HB LYS 98 3.693 -7.799 -2.872 256 2HB LYS 98 2HB LYS 98 3.200 -6.113 -2.920 257 1HG LYS 98 1HG LYS 98 0.828 -6.886 -2.788 258 2HG LYS 98 2HG LYS 98 1.441 -8.520 -2.526 259 1HD LYS 98 1HD LYS 98 1.053 -7.710 -0.368 260 2HD LYS 98 2HD LYS 98 2.790 -7.492 -0.599 261 1HE LYS 98 1HE LYS 98 1.744 -5.137 -1.556 262 2HE LYS 98 2HE LYS 98 0.684 -5.510 -0.197 263 1HZ LYS 98 1HZ LYS 98 3.620 -5.626 0.092 264 2HZ LYS 98 2HZ LYS 98 2.791 -4.160 0.245 265 3HZ LYS 98 3HZ LYS 98 2.444 -5.442 1.293 266 H GLN 99 H GLN 99 3.437 -4.926 -5.542 267 HA GLN 99 HA GLN 99 1.092 -3.456 -5.258 268 1HB GLN 99 1HB GLN 99 3.426 -2.582 -5.711 269 2HB GLN 99 2HB GLN 99 3.160 -2.980 -7.403 270 1HG GLN 99 1HG GLN 99 2.037 -1.106 -7.740 271 2HG GLN 99 2HG GLN 99 0.965 -1.436 -6.380 272 1HE2 GLN 99 1HE2 GLN 99 2.522 -1.306 -4.231 273 2HE2 GLN 99 2HE2 GLN 99 3.246 0.254 -4.070 274 H CYS 100 H CYS 100 2.218 -5.425 -7.954 275 HA CYS 100 HA CYS 100 -0.194 -4.763 -9.478 276 1HB CYS 100 1HB CYS 100 2.342 -6.216 -10.231 277 2HB CYS 100 2HB CYS 100 0.957 -6.070 -11.305 278 H ALA 101 H ALA 101 -0.180 -6.485 -7.058 279 HA ALA 101 HA ALA 101 -0.603 -9.175 -7.981 280 1HB ALA 101 1HB ALA 101 0.251 -8.546 -5.698 281 2HB ALA 101 2HB ALA 101 -1.393 -8.041 -5.307 282 3HB ALA 101 3HB ALA 101 -1.061 -9.724 -5.720 283 H TYR 102 H TYR 102 -2.537 -6.345 -7.630 284 HA TYR 102 HA TYR 102 -5.065 -7.630 -7.363 285 1HB TYR 102 1HB TYR 102 -6.005 -5.422 -7.877 286 2HB TYR 102 2HB TYR 102 -4.721 -5.302 -6.677 287 HD1 TYR 102 HD1 TYR 102 -5.472 -4.822 -10.279 288 HD2 TYR 102 HD2 TYR 102 -2.842 -3.934 -7.054 289 HE1 TYR 102 HE1 TYR 102 -4.326 -3.155 -11.678 290 HE2 TYR 102 HE2 TYR 102 -1.690 -2.265 -8.444 291 HH TYR 102 HH TYR 102 -2.604 -0.797 -10.694 292 H PHE 103 H PHE 103 -2.987 -6.922 -10.041 293 HA PHE 103 HA PHE 103 -5.053 -7.116 -12.036 294 1HB PHE 103 1HB PHE 103 -2.698 -5.901 -12.103 295 2HB PHE 103 2HB PHE 103 -2.170 -7.460 -12.725 296 HD1 PHE 103 HD1 PHE 103 -4.372 -8.316 -14.391 297 HD2 PHE 103 HD2 PHE 103 -2.732 -4.426 -13.862 298 HE1 PHE 103 HE1 PHE 103 -5.165 -7.683 -16.631 299 HE2 PHE 103 HE2 PHE 103 -3.522 -3.784 -16.102 300 HZ PHE 103 HZ PHE 103 -4.741 -5.413 -17.490 301 H CYS 104 H CYS 104 -2.090 -9.071 -11.654 302 HA CYS 104 HA CYS 104 -3.708 -11.479 -12.124 303 1HB CYS 104 1HB CYS 104 -0.995 -11.056 -13.380 304 2HB CYS 104 2HB CYS 104 -2.129 -12.365 -13.685 305 H GLU 105 H GLU 105 -3.587 -12.219 -10.045 306 HA GLU 105 HA GLU 105 -1.170 -13.510 -9.260 307 1HB GLU 105 1HB GLU 105 -1.590 -10.834 -8.330 308 2HB GLU 105 2HB GLU 105 -1.701 -11.933 -6.963 309 1HG GLU 105 1HG GLU 105 0.540 -12.624 -8.620 310 2HG GLU 105 2HG GLU 105 0.608 -10.922 -8.164 311 H ASN 106 H ASN 106 -1.558 -14.040 -6.663 312 HA ASN 106 HA ASN 106 -3.480 -16.001 -6.581 313 1HB ASN 106 1HB ASN 106 -3.239 -15.944 -4.124 314 2HB ASN 106 2HB ASN 106 -1.682 -15.853 -4.941 315 1HD2 ASN 106 1HD2 ASN 106 -0.552 -13.891 -4.954 316 2HD2 ASN 106 2HD2 ASN 106 -0.897 -12.641 -3.812 317 H LYS 107 H LYS 107 -3.850 -12.584 -5.996 318 HA LYS 107 HA LYS 107 -6.727 -13.021 -5.539 319 1HB LYS 107 1HB LYS 107 -6.715 -10.959 -4.151 320 2HB LYS 107 2HB LYS 107 -5.762 -12.266 -3.461 321 1HG LYS 107 1HG LYS 107 -3.905 -11.048 -3.487 322 2HG LYS 107 2HG LYS 107 -4.164 -10.551 -5.160 323 1HD LYS 107 1HD LYS 107 -5.843 -9.326 -3.025 324 2HD LYS 107 2HD LYS 107 -4.170 -8.792 -3.200 325 1HE LYS 107 1HE LYS 107 -4.550 -8.149 -5.477 326 2HE LYS 107 2HE LYS 107 -6.159 -8.870 -5.463 327 1HZ LYS 107 1HZ LYS 107 -5.584 -6.795 -3.486 328 2HZ LYS 107 2HZ LYS 107 -5.787 -6.306 -5.093 329 3HZ LYS 107 3HZ LYS 107 -7.025 -7.141 -4.299 330 H LEU 108 H LEU 108 -8.021 -12.078 -6.974 331 HA LEU 108 HA LEU 108 -7.369 -9.559 -8.199 332 1HB LEU 108 1HB LEU 108 -7.351 -10.318 -10.490 333 2HB LEU 108 2HB LEU 108 -6.080 -11.123 -9.590 334 HG LEU 108 HG LEU 108 -8.223 -12.874 -9.391 335 1HD1 LEU 108 1HD1 LEU 108 -8.385 -11.316 -11.889 336 2HD1 LEU 108 2HD1 LEU 108 -8.500 -13.068 -12.053 337 3HD1 LEU 108 3HD1 LEU 108 -9.635 -12.203 -11.016 338 1HD2 LEU 108 1HD2 LEU 108 -5.871 -12.824 -11.274 339 2HD2 LEU 108 2HD2 LEU 108 -5.950 -13.572 -9.679 340 3HD2 LEU 108 3HD2 LEU 108 -6.902 -14.231 -11.009 341 H ARG 109 H ARG 109 -9.116 -8.818 -9.670 342 HA ARG 109 HA ARG 109 -11.697 -10.007 -8.888 343 1HB ARG 109 1HB ARG 109 -10.769 -7.189 -9.079 344 2HB ARG 109 2HB ARG 109 -12.429 -7.521 -9.553 345 1HG ARG 109 1HG ARG 109 -11.412 -8.562 -6.951 346 2HG ARG 109 2HG ARG 109 -11.866 -6.863 -7.099 347 1HD ARG 109 1HD ARG 109 -14.076 -7.332 -7.337 348 2HD ARG 109 2HD ARG 109 -13.772 -8.856 -8.170 349 HE ARG 109 HE ARG 109 -13.949 -9.914 -6.162 350 1HH1 ARG 109 1HH1 ARG 109 -13.180 -6.562 -5.562 351 2HH1 ARG 109 2HH1 ARG 109 -13.311 -6.710 -3.842 352 1HH2 ARG 109 1HH2 ARG 109 -14.124 -10.109 -3.900 353 2HH2 ARG 109 2HH2 ARG 109 -13.847 -8.724 -2.898 Start of MODEL 6 1 1H GLY 64 1H GLY 64 4.922 -0.996 -2.179 2 2H GLY 64 2H GLY 64 4.090 -1.318 -0.742 3 3H GLY 64 3H GLY 64 5.637 -0.636 -0.688 4 1HA GLY 64 1HA GLY 64 3.361 0.722 -2.005 5 2HA GLY 64 2HA GLY 64 3.701 0.924 -0.293 6 H SER 65 H SER 65 4.093 2.355 -3.175 7 HA SER 65 HA SER 65 6.785 3.372 -2.666 8 1HB SER 65 1HB SER 65 4.915 3.661 -5.022 9 2HB SER 65 2HB SER 65 6.456 4.509 -4.902 10 HG SER 65 HG SER 65 5.961 1.747 -5.146 11 HA PRO 66 HA PRO 66 5.376 7.033 -0.607 12 1HB PRO 66 1HB PRO 66 7.593 8.358 -2.086 13 2HB PRO 66 2HB PRO 66 7.248 8.340 -0.353 14 1HG PRO 66 1HG PRO 66 9.231 6.876 -1.362 15 2HG PRO 66 2HG PRO 66 8.215 6.254 -0.048 16 1HD PRO 66 1HD PRO 66 8.178 5.582 -2.958 17 2HD PRO 66 2HD PRO 66 7.905 4.533 -1.551 18 H TRP 67 H TRP 67 6.593 7.699 -3.897 19 HA TRP 67 HA TRP 67 4.891 9.884 -4.373 20 1HB TRP 67 1HB TRP 67 6.168 8.041 -6.405 21 2HB TRP 67 2HB TRP 67 5.545 9.659 -6.717 22 HD1 TRP 67 HD1 TRP 67 7.029 11.724 -5.926 23 HE1 TRP 67 HE1 TRP 67 9.498 11.914 -5.222 24 HE3 TRP 67 HE3 TRP 67 8.044 6.770 -5.184 25 HZ2 TRP 67 HZ2 TRP 67 11.598 10.190 -4.454 26 HZ3 TRP 67 HZ3 TRP 67 10.307 6.124 -4.465 27 HH2 TRP 67 HH2 TRP 67 12.046 7.800 -4.108 28 H SER 68 H SER 68 3.450 9.731 -6.513 29 HA SER 68 HA SER 68 1.954 7.422 -7.021 30 1HB SER 68 1HB SER 68 1.087 7.555 -4.787 31 2HB SER 68 2HB SER 68 0.758 9.279 -4.958 32 HG SER 68 HG SER 68 -0.476 7.255 -6.516 33 H LEU 69 H LEU 69 1.974 10.934 -6.817 34 HA LEU 69 HA LEU 69 0.060 11.223 -8.962 35 1HB LEU 69 1HB LEU 69 0.427 13.621 -8.691 36 2HB LEU 69 2HB LEU 69 0.074 12.846 -7.159 37 HG LEU 69 HG LEU 69 2.766 12.778 -7.080 38 1HD1 LEU 69 1HD1 LEU 69 2.706 14.037 -9.323 39 2HD1 LEU 69 2HD1 LEU 69 2.247 15.438 -8.355 40 3HD1 LEU 69 3HD1 LEU 69 3.784 14.626 -8.057 41 1HD2 LEU 69 1HD2 LEU 69 0.808 13.949 -5.651 42 2HD2 LEU 69 2HD2 LEU 69 2.527 14.196 -5.341 43 3HD2 LEU 69 3HD2 LEU 69 1.622 15.377 -6.289 44 H SER 70 H SER 70 3.138 10.227 -9.029 45 HA SER 70 HA SER 70 3.984 11.865 -11.296 46 1HB SER 70 1HB SER 70 5.395 9.830 -9.575 47 2HB SER 70 2HB SER 70 6.100 10.429 -11.076 48 HG SER 70 HG SER 70 6.837 11.729 -9.443 49 H CYS 71 H CYS 71 1.745 10.194 -11.713 50 HA CYS 71 HA CYS 71 2.855 8.331 -13.700 51 1HB CYS 71 1HB CYS 71 0.822 7.839 -11.584 52 2HB CYS 71 2HB CYS 71 0.558 7.083 -13.151 53 H ARG 72 H ARG 72 1.589 8.025 -15.589 54 HA ARG 72 HA ARG 72 0.314 10.362 -16.528 55 1HB ARG 72 1HB ARG 72 0.554 7.565 -17.612 56 2HB ARG 72 2HB ARG 72 -0.381 8.795 -18.451 57 1HG ARG 72 1HG ARG 72 1.997 10.074 -17.969 58 2HG ARG 72 2HG ARG 72 2.501 8.414 -18.292 59 1HD ARG 72 1HD ARG 72 0.645 9.993 -20.066 60 2HD ARG 72 2HD ARG 72 2.387 9.884 -20.312 61 HE ARG 72 HE ARG 72 1.089 7.328 -20.136 62 1HH1 ARG 72 1HH1 ARG 72 1.962 9.948 -22.269 63 2HH1 ARG 72 2HH1 ARG 72 1.932 8.966 -23.694 64 1HH2 ARG 72 1HH2 ARG 72 1.050 6.032 -22.010 65 2HH2 ARG 72 2HH2 ARG 72 1.414 6.742 -23.547 66 H LYS 73 H LYS 73 -1.912 10.257 -17.591 67 HA LYS 73 HA LYS 73 -3.863 9.960 -15.616 68 1HB LYS 73 1HB LYS 73 -3.845 10.519 -18.520 69 2HB LYS 73 2HB LYS 73 -5.358 9.901 -17.870 70 1HG LYS 73 1HG LYS 73 -4.795 11.803 -16.045 71 2HG LYS 73 2HG LYS 73 -4.052 12.507 -17.483 72 1HD LYS 73 1HD LYS 73 -6.131 13.297 -17.858 73 2HD LYS 73 2HD LYS 73 -6.417 11.679 -18.501 74 1HE LYS 73 1HE LYS 73 -8.205 12.095 -17.027 75 2HE LYS 73 2HE LYS 73 -7.112 11.025 -16.152 76 1HZ LYS 73 1HZ LYS 73 -6.653 13.866 -15.781 77 2HZ LYS 73 2HZ LYS 73 -8.101 13.276 -15.136 78 3HZ LYS 73 3HZ LYS 73 -6.624 12.608 -14.652 79 H GLU 74 H GLU 74 -2.485 7.630 -17.736 80 HA GLU 74 HA GLU 74 -4.506 5.785 -18.093 81 1HB GLU 74 1HB GLU 74 -1.544 5.608 -17.870 82 2HB GLU 74 2HB GLU 74 -2.457 4.108 -17.786 83 1HG GLU 74 1HG GLU 74 -2.990 6.033 -19.998 84 2HG GLU 74 2HG GLU 74 -1.572 4.988 -20.068 85 H GLN 75 H GLN 75 -5.822 4.900 -16.653 86 HA GLN 75 HA GLN 75 -5.324 4.847 -13.872 87 1HB GLN 75 1HB GLN 75 -7.397 3.565 -15.632 88 2HB GLN 75 2HB GLN 75 -7.340 3.230 -13.907 89 1HG GLN 75 1HG GLN 75 -8.359 5.135 -13.426 90 2HG GLN 75 2HG GLN 75 -7.223 6.063 -14.404 91 1HE2 GLN 75 1HE2 GLN 75 -9.956 6.647 -14.166 92 2HE2 GLN 75 2HE2 GLN 75 -10.694 6.431 -15.714 93 H GLY 76 H GLY 76 -5.008 2.427 -16.419 94 1HA GLY 76 1HA GLY 76 -4.333 0.314 -14.574 95 2HA GLY 76 2HA GLY 76 -4.271 0.231 -16.328 96 H LYS 77 H LYS 77 -2.612 2.005 -13.713 97 HA LYS 77 HA LYS 77 -0.063 0.942 -14.525 98 1HB LYS 77 1HB LYS 77 -0.841 3.166 -15.892 99 2HB LYS 77 2HB LYS 77 0.010 3.889 -14.534 100 1HG LYS 77 1HG LYS 77 1.961 3.442 -15.471 101 2HG LYS 77 2HG LYS 77 1.564 1.725 -15.555 102 1HD LYS 77 1HD LYS 77 0.800 1.870 -17.720 103 2HD LYS 77 2HD LYS 77 0.386 3.579 -17.571 104 1HE LYS 77 1HE LYS 77 2.668 4.229 -17.722 105 2HE LYS 77 2HE LYS 77 3.219 2.563 -17.558 106 1HZ LYS 77 1HZ LYS 77 1.439 3.107 -19.790 107 2HZ LYS 77 2HZ LYS 77 2.979 3.796 -19.893 108 3HZ LYS 77 3HZ LYS 77 2.813 2.123 -19.714 109 H PHE 78 H PHE 78 1.533 1.199 -12.963 110 HA PHE 78 HA PHE 78 0.715 2.603 -10.509 111 1HB PHE 78 1HB PHE 78 1.280 0.815 -9.144 112 2HB PHE 78 2HB PHE 78 0.583 -0.008 -10.533 113 HD1 PHE 78 HD1 PHE 78 2.353 -0.639 -12.410 114 HD2 PHE 78 HD2 PHE 78 3.273 0.047 -8.313 115 HE1 PHE 78 HE1 PHE 78 4.414 -1.957 -12.657 116 HE2 PHE 78 HE2 PHE 78 5.337 -1.271 -8.553 117 HZ PHE 78 HZ PHE 78 5.910 -2.274 -10.728 118 H TYR 79 H TYR 79 2.638 2.919 -8.997 119 HA TYR 79 HA TYR 79 4.949 3.764 -10.612 120 1HB TYR 79 1HB TYR 79 3.631 5.555 -9.420 121 2HB TYR 79 2HB TYR 79 4.148 4.832 -7.900 122 HD1 TYR 79 HD1 TYR 79 6.803 4.458 -7.757 123 HD2 TYR 79 HD2 TYR 79 4.859 7.333 -10.219 124 HE1 TYR 79 HE1 TYR 79 8.875 5.780 -7.836 125 HE2 TYR 79 HE2 TYR 79 6.924 8.665 -10.302 126 HH TYR 79 HH TYR 79 9.311 8.382 -10.009 127 H ASP 80 H ASP 80 6.931 3.017 -10.149 128 HA ASP 80 HA ASP 80 7.167 1.167 -7.873 129 1HB ASP 80 1HB ASP 80 7.552 0.100 -10.024 130 2HB ASP 80 2HB ASP 80 8.751 1.317 -10.447 131 H HIS 81 H HIS 81 8.822 1.379 -6.402 132 HA HIS 81 HA HIS 81 10.004 4.006 -6.231 133 1HB HIS 81 1HB HIS 81 10.891 3.173 -4.046 134 2HB HIS 81 2HB HIS 81 9.141 3.068 -4.199 135 HD1 HIS 81 HD1 HIS 81 8.132 0.660 -4.518 136 HD2 HIS 81 HD2 HIS 81 12.196 0.769 -3.665 137 HE1 HIS 81 HE1 HIS 81 8.741 -1.687 -3.855 138 HE2 HIS 81 HE2 HIS 81 11.184 -1.576 -3.250 139 H LEU 82 H LEU 82 11.295 0.670 -6.319 140 HA LEU 82 HA LEU 82 13.997 1.407 -6.397 141 1HB LEU 82 1HB LEU 82 14.439 -0.846 -7.196 142 2HB LEU 82 2HB LEU 82 13.286 -0.858 -5.876 143 HG LEU 82 HG LEU 82 12.089 -0.812 -8.569 144 1HD1 LEU 82 1HD1 LEU 82 14.105 -2.793 -7.837 145 2HD1 LEU 82 2HD1 LEU 82 12.553 -3.492 -8.297 146 3HD1 LEU 82 3HD1 LEU 82 13.398 -2.415 -9.407 147 1HD2 LEU 82 1HD2 LEU 82 11.618 -2.124 -5.926 148 2HD2 LEU 82 2HD2 LEU 82 10.548 -1.085 -6.866 149 3HD2 LEU 82 3HD2 LEU 82 10.832 -2.750 -7.375 150 H LEU 83 H LEU 83 11.581 1.651 -8.797 151 HA LEU 83 HA LEU 83 13.571 1.841 -10.941 152 1HB LEU 83 1HB LEU 83 10.562 1.670 -11.006 153 2HB LEU 83 2HB LEU 83 11.548 1.933 -12.431 154 HG LEU 83 HG LEU 83 11.502 -0.520 -10.678 155 1HD1 LEU 83 1HD1 LEU 83 10.359 0.227 -13.290 156 2HD1 LEU 83 2HD1 LEU 83 11.088 -1.376 -13.187 157 3HD1 LEU 83 3HD1 LEU 83 9.787 -0.925 -12.085 158 1HD2 LEU 83 1HD2 LEU 83 13.326 0.174 -12.974 159 2HD2 LEU 83 2HD2 LEU 83 13.790 -0.124 -11.299 160 3HD2 LEU 83 3HD2 LEU 83 13.152 -1.440 -12.284 161 H ARG 84 H ARG 84 11.337 3.707 -9.042 162 HA ARG 84 HA ARG 84 11.012 5.946 -8.828 163 1HB ARG 84 1HB ARG 84 13.687 5.679 -9.501 164 2HB ARG 84 2HB ARG 84 13.094 6.872 -10.649 165 1HG ARG 84 1HG ARG 84 12.581 7.108 -7.702 166 2HG ARG 84 2HG ARG 84 14.052 7.727 -8.457 167 1HD ARG 84 1HD ARG 84 11.325 8.468 -9.466 168 2HD ARG 84 2HD ARG 84 12.092 9.347 -8.146 169 HE ARG 84 HE ARG 84 12.804 9.426 -10.943 170 1HH1 ARG 84 1HH1 ARG 84 13.850 10.066 -7.674 171 2HH1 ARG 84 2HH1 ARG 84 15.039 11.231 -8.150 172 1HH2 ARG 84 1HH2 ARG 84 14.369 10.956 -11.568 173 2HH2 ARG 84 2HH2 ARG 84 15.334 11.736 -10.359 174 H ASP 85 H ASP 85 10.088 4.297 -11.250 175 HA ASP 85 HA ASP 85 9.171 6.609 -12.816 176 1HB ASP 85 1HB ASP 85 10.511 4.133 -13.760 177 2HB ASP 85 2HB ASP 85 9.152 4.710 -14.720 178 H CYS 86 H CYS 86 7.331 5.681 -14.392 179 HA CYS 86 HA CYS 86 5.425 4.346 -12.599 180 1HB CYS 86 1HB CYS 86 4.862 6.630 -13.471 181 2HB CYS 86 2HB CYS 86 4.816 5.946 -15.091 182 H ILE 87 H ILE 87 5.319 2.237 -12.942 183 HA ILE 87 HA ILE 87 5.556 1.221 -15.691 184 HB ILE 87 HB ILE 87 5.785 -0.338 -13.117 185 1HG1 ILE 87 1HG1 ILE 87 8.268 -0.360 -13.834 186 2HG1 ILE 87 2HG1 ILE 87 7.848 1.046 -14.807 187 1HG2 ILE 87 1HG2 ILE 87 6.309 -1.012 -15.997 188 2HG2 ILE 87 2HG2 ILE 87 6.955 -1.965 -14.660 189 3HG2 ILE 87 3HG2 ILE 87 5.211 -1.808 -14.868 190 1HD1 ILE 87 1HD1 ILE 87 7.153 1.003 -11.912 191 2HD1 ILE 87 2HD1 ILE 87 8.808 1.342 -12.415 192 3HD1 ILE 87 3HD1 ILE 87 7.490 2.373 -12.970 193 H SER 88 H SER 88 4.197 -0.626 -16.279 194 HA SER 88 HA SER 88 1.475 -0.254 -15.283 195 1HB SER 88 1HB SER 88 1.978 -2.124 -17.525 196 2HB SER 88 2HB SER 88 0.740 -0.880 -17.348 197 HG SER 88 HG SER 88 2.423 0.669 -17.761 198 H CYS 89 H CYS 89 0.113 -2.304 -15.177 199 HA CYS 89 HA CYS 89 1.633 -4.325 -13.679 200 1HB CYS 89 1HB CYS 89 -1.261 -3.487 -13.581 201 2HB CYS 89 2HB CYS 89 -0.677 -4.953 -12.801 202 H ALA 90 H ALA 90 -0.447 -3.853 -16.424 203 HA ALA 90 HA ALA 90 -1.066 -6.613 -16.832 204 1HB ALA 90 1HB ALA 90 -2.072 -4.272 -17.799 205 2HB ALA 90 2HB ALA 90 -1.171 -4.878 -19.189 206 3HB ALA 90 3HB ALA 90 -2.427 -5.872 -18.450 207 H SER 91 H SER 91 1.619 -4.587 -17.610 208 HA SER 91 HA SER 91 2.605 -6.332 -19.704 209 1HB SER 91 1HB SER 91 3.315 -3.680 -18.622 210 2HB SER 91 2HB SER 91 4.678 -4.649 -19.182 211 HG SER 91 HG SER 91 2.351 -4.262 -20.743 212 H ILE 92 H ILE 92 2.951 -5.973 -16.288 213 HA ILE 92 HA ILE 92 5.300 -7.746 -16.303 214 HB ILE 92 HB ILE 92 5.539 -7.090 -13.894 215 1HG1 ILE 92 1HG1 ILE 92 3.455 -5.032 -14.654 216 2HG1 ILE 92 2HG1 ILE 92 3.231 -6.351 -13.511 217 1HG2 ILE 92 1HG2 ILE 92 5.973 -5.400 -16.247 218 2HG2 ILE 92 2HG2 ILE 92 6.028 -4.540 -14.709 219 3HG2 ILE 92 3HG2 ILE 92 7.099 -5.911 -14.989 220 1HD1 ILE 92 1HD1 ILE 92 5.489 -4.551 -12.957 221 2HD1 ILE 92 2HD1 ILE 92 3.880 -3.846 -12.808 222 3HD1 ILE 92 3HD1 ILE 92 4.308 -5.271 -11.863 223 H CYS 93 H CYS 93 2.388 -8.499 -16.614 224 HA CYS 93 HA CYS 93 1.547 -9.760 -14.228 225 1HB CYS 93 1HB CYS 93 0.718 -9.836 -17.076 226 2HB CYS 93 2HB CYS 93 0.244 -11.206 -16.074 227 H GLY 94 H GLY 94 2.459 -11.404 -13.236 228 1HA GLY 94 1HA GLY 94 2.872 -13.860 -13.522 229 2HA GLY 94 2HA GLY 94 3.901 -13.398 -14.869 230 H GLN 95 H GLN 95 5.081 -11.116 -13.608 231 HA GLN 95 HA GLN 95 6.446 -12.206 -11.267 232 1HB GLN 95 1HB GLN 95 7.706 -11.629 -13.914 233 2HB GLN 95 2HB GLN 95 8.625 -11.288 -12.453 234 1HG GLN 95 1HG GLN 95 7.344 -13.944 -12.622 235 2HG GLN 95 2HG GLN 95 8.691 -13.638 -13.718 236 1HE2 GLN 95 1HE2 GLN 95 9.271 -15.546 -12.142 237 2HE2 GLN 95 2HE2 GLN 95 10.248 -15.078 -10.796 238 H HIS 96 H HIS 96 4.738 -10.340 -10.826 239 HA HIS 96 HA HIS 96 6.247 -7.808 -10.743 240 1HB HIS 96 1HB HIS 96 3.955 -6.722 -10.621 241 2HB HIS 96 2HB HIS 96 4.383 -7.440 -12.170 242 HD1 HIS 96 HD1 HIS 96 2.253 -8.299 -13.096 243 HD2 HIS 96 HD2 HIS 96 2.672 -9.205 -9.065 244 HE1 HIS 96 HE1 HIS 96 0.291 -9.761 -12.530 245 HE2 HIS 96 HE2 HIS 96 0.626 -10.388 -10.115 246 HA PRO 97 HA PRO 97 5.911 -7.806 -6.349 247 1HB PRO 97 1HB PRO 97 5.359 -5.201 -5.776 248 2HB PRO 97 2HB PRO 97 6.953 -5.763 -6.290 249 1HG PRO 97 1HG PRO 97 4.799 -4.449 -7.896 250 2HG PRO 97 2HG PRO 97 6.550 -4.170 -7.931 251 1HD PRO 97 1HD PRO 97 5.281 -5.670 -9.788 252 2HD PRO 97 2HD PRO 97 6.943 -6.009 -9.267 253 H LYS 98 H LYS 98 4.444 -7.027 -4.492 254 HA LYS 98 HA LYS 98 1.895 -8.109 -4.825 255 1HB LYS 98 1HB LYS 98 1.390 -7.127 -2.609 256 2HB LYS 98 2HB LYS 98 2.926 -7.981 -2.643 257 1HG LYS 98 1HG LYS 98 4.098 -6.140 -2.161 258 2HG LYS 98 2HG LYS 98 3.146 -5.130 -3.250 259 1HD LYS 98 1HD LYS 98 1.831 -6.074 -0.764 260 2HD LYS 98 2HD LYS 98 3.081 -4.840 -0.600 261 1HE LYS 98 1HE LYS 98 1.005 -4.461 -2.692 262 2HE LYS 98 2HE LYS 98 0.535 -4.221 -1.009 263 1HZ LYS 98 1HZ LYS 98 2.578 -2.728 -0.889 264 2HZ LYS 98 2HZ LYS 98 2.556 -2.747 -2.580 265 3HZ LYS 98 3HZ LYS 98 1.231 -2.135 -1.726 266 H GLN 99 H GLN 99 3.056 -4.865 -5.319 267 HA GLN 99 HA GLN 99 0.692 -3.409 -5.139 268 1HB GLN 99 1HB GLN 99 3.021 -2.498 -5.458 269 2HB GLN 99 2HB GLN 99 2.882 -2.921 -7.158 270 1HG GLN 99 1HG GLN 99 1.778 -1.057 -7.597 271 2HG GLN 99 2HG GLN 99 0.595 -1.400 -6.335 272 1HE2 GLN 99 1HE2 GLN 99 2.071 -1.280 -4.074 273 2HE2 GLN 99 2HE2 GLN 99 2.708 0.311 -3.852 274 H CYS 100 H CYS 100 2.017 -5.233 -7.864 275 HA CYS 100 HA CYS 100 -0.360 -4.636 -9.462 276 1HB CYS 100 1HB CYS 100 2.304 -5.889 -10.083 277 2HB CYS 100 2HB CYS 100 0.958 -5.994 -11.210 278 H ALA 101 H ALA 101 -0.324 -6.433 -7.060 279 HA ALA 101 HA ALA 101 -0.655 -9.101 -8.040 280 1HB ALA 101 1HB ALA 101 0.098 -8.559 -5.734 281 2HB ALA 101 2HB ALA 101 -1.531 -7.980 -5.384 282 3HB ALA 101 3HB ALA 101 -1.266 -9.674 -5.793 283 H TYR 102 H TYR 102 -2.660 -6.339 -7.883 284 HA TYR 102 HA TYR 102 -5.166 -7.721 -7.707 285 1HB TYR 102 1HB TYR 102 -6.158 -5.531 -8.195 286 2HB TYR 102 2HB TYR 102 -4.941 -5.410 -6.929 287 HD1 TYR 102 HD1 TYR 102 -5.499 -4.860 -10.561 288 HD2 TYR 102 HD2 TYR 102 -3.125 -3.936 -7.152 289 HE1 TYR 102 HE1 TYR 102 -4.347 -3.107 -11.845 290 HE2 TYR 102 HE2 TYR 102 -1.968 -2.180 -8.426 291 HH TYR 102 HH TYR 102 -2.333 -0.778 -10.378 292 H PHE 103 H PHE 103 -2.924 -7.568 -10.140 293 HA PHE 103 HA PHE 103 -4.937 -7.564 -12.276 294 1HB PHE 103 1HB PHE 103 -2.669 -6.179 -12.232 295 2HB PHE 103 2HB PHE 103 -2.014 -7.687 -12.859 296 HD1 PHE 103 HD1 PHE 103 -4.049 -8.669 -14.640 297 HD2 PHE 103 HD2 PHE 103 -2.780 -4.669 -13.942 298 HE1 PHE 103 HE1 PHE 103 -4.799 -8.043 -16.899 299 HE2 PHE 103 HE2 PHE 103 -3.529 -4.033 -16.198 300 HZ PHE 103 HZ PHE 103 -4.540 -5.723 -17.681 301 H CYS 104 H CYS 104 -1.854 -9.285 -11.759 302 HA CYS 104 HA CYS 104 -3.248 -11.815 -12.282 303 1HB CYS 104 1HB CYS 104 -0.542 -11.199 -13.466 304 2HB CYS 104 2HB CYS 104 -1.586 -12.570 -13.813 305 H GLU 105 H GLU 105 -3.117 -12.177 -10.015 306 HA GLU 105 HA GLU 105 -0.525 -13.234 -9.198 307 1HB GLU 105 1HB GLU 105 -1.540 -10.755 -8.241 308 2HB GLU 105 2HB GLU 105 -1.621 -11.909 -6.920 309 1HG GLU 105 1HG GLU 105 0.871 -12.374 -7.931 310 2HG GLU 105 2HG GLU 105 0.688 -10.637 -8.168 311 H ASN 106 H ASN 106 -0.974 -13.982 -6.684 312 HA ASN 106 HA ASN 106 -2.722 -16.197 -6.955 313 1HB ASN 106 1HB ASN 106 -2.177 -16.598 -4.548 314 2HB ASN 106 2HB ASN 106 -0.756 -16.385 -5.566 315 1HD2 ASN 106 1HD2 ASN 106 0.457 -14.489 -5.390 316 2HD2 ASN 106 2HD2 ASN 106 0.328 -13.447 -4.019 317 H LYS 107 H LYS 107 -4.693 -14.970 -7.513 318 HA LYS 107 HA LYS 107 -6.404 -14.761 -5.246 319 1HB LYS 107 1HB LYS 107 -7.037 -12.408 -5.496 320 2HB LYS 107 2HB LYS 107 -5.342 -12.573 -5.061 321 1HG LYS 107 1HG LYS 107 -5.091 -11.046 -6.696 322 2HG LYS 107 2HG LYS 107 -5.090 -12.484 -7.719 323 1HD LYS 107 1HD LYS 107 -7.044 -11.939 -8.675 324 2HD LYS 107 2HD LYS 107 -7.766 -11.468 -7.136 325 1HE LYS 107 1HE LYS 107 -5.689 -9.661 -8.192 326 2HE LYS 107 2HE LYS 107 -7.184 -9.739 -9.123 327 1HZ LYS 107 1HZ LYS 107 -8.287 -9.423 -6.827 328 2HZ LYS 107 2HZ LYS 107 -6.774 -8.833 -6.352 329 3HZ LYS 107 3HZ LYS 107 -7.619 -8.080 -7.610 330 H LEU 108 H LEU 108 -5.950 -13.975 -8.668 331 HA LEU 108 HA LEU 108 -8.687 -13.952 -9.355 332 1HB LEU 108 1HB LEU 108 -7.948 -14.117 -11.653 333 2HB LEU 108 2HB LEU 108 -6.942 -12.979 -10.776 334 HG LEU 108 HG LEU 108 -5.875 -15.711 -10.819 335 1HD1 LEU 108 1HD1 LEU 108 -6.134 -14.156 -13.388 336 2HD1 LEU 108 2HD1 LEU 108 -5.108 -15.571 -13.150 337 3HD1 LEU 108 3HD1 LEU 108 -6.862 -15.722 -13.030 338 1HD2 LEU 108 1HD2 LEU 108 -4.876 -13.337 -10.173 339 2HD2 LEU 108 2HD2 LEU 108 -3.874 -14.636 -10.816 340 3HD2 LEU 108 3HD2 LEU 108 -4.437 -13.347 -11.880 341 H ARG 109 H ARG 109 -10.063 -15.525 -10.045 342 HA ARG 109 HA ARG 109 -9.113 -18.220 -10.511 343 1HB ARG 109 1HB ARG 109 -10.441 -17.399 -8.013 344 2HB ARG 109 2HB ARG 109 -11.132 -18.822 -8.779 345 1HG ARG 109 1HG ARG 109 -8.286 -19.052 -8.773 346 2HG ARG 109 2HG ARG 109 -8.846 -18.658 -7.147 347 1HD ARG 109 1HD ARG 109 -10.656 -20.538 -7.861 348 2HD ARG 109 2HD ARG 109 -9.241 -21.094 -8.755 349 HE ARG 109 HE ARG 109 -9.646 -21.205 -5.927 350 1HH1 ARG 109 1HH1 ARG 109 -7.211 -20.937 -8.414 351 2HH1 ARG 109 2HH1 ARG 109 -5.956 -21.614 -7.433 352 1HH2 ARG 109 1HH2 ARG 109 -7.995 -22.096 -4.635 353 2HH2 ARG 109 2HH2 ARG 109 -6.401 -22.273 -5.287 Start of MODEL 7 1 1H GLY 64 1H GLY 64 -0.742 1.894 -7.121 2 2H GLY 64 2H GLY 64 -1.048 0.843 -5.832 3 3H GLY 64 3H GLY 64 0.509 0.948 -6.485 4 1HA GLY 64 1HA GLY 64 -0.904 3.163 -5.103 5 2HA GLY 64 2HA GLY 64 0.305 2.131 -4.355 6 H SER 65 H SER 65 -0.273 4.700 -6.633 7 HA SER 65 HA SER 65 2.567 4.985 -7.210 8 1HB SER 65 1HB SER 65 1.751 6.903 -8.659 9 2HB SER 65 2HB SER 65 1.166 5.303 -9.114 10 HG SER 65 HG SER 65 -0.471 6.972 -9.046 11 HA PRO 66 HA PRO 66 2.659 7.679 -3.533 12 1HB PRO 66 1HB PRO 66 5.388 8.097 -3.743 13 2HB PRO 66 2HB PRO 66 4.632 6.781 -2.839 14 1HG PRO 66 1HG PRO 66 5.816 6.764 -5.580 15 2HG PRO 66 2HG PRO 66 5.900 5.528 -4.311 16 1HD PRO 66 1HD PRO 66 4.253 5.277 -6.411 17 2HD PRO 66 2HD PRO 66 3.785 4.713 -4.794 18 H TRP 67 H TRP 67 4.757 8.382 -6.342 19 HA TRP 67 HA TRP 67 3.913 11.194 -6.143 20 1HB TRP 67 1HB TRP 67 6.404 10.051 -7.419 21 2HB TRP 67 2HB TRP 67 5.988 11.759 -7.331 22 HD1 TRP 67 HD1 TRP 67 6.235 12.963 -4.942 23 HE1 TRP 67 HE1 TRP 67 7.579 12.330 -2.840 24 HE3 TRP 67 HE3 TRP 67 7.199 8.072 -6.047 25 HZ2 TRP 67 HZ2 TRP 67 8.878 10.052 -1.790 26 HZ3 TRP 67 HZ3 TRP 67 8.499 6.731 -4.443 27 HH2 TRP 67 HH2 TRP 67 9.322 7.703 -2.359 28 H SER 68 H SER 68 2.350 11.654 -7.543 29 HA SER 68 HA SER 68 2.293 10.282 -10.133 30 1HB SER 68 1HB SER 68 -0.015 11.419 -10.263 31 2HB SER 68 2HB SER 68 0.184 10.118 -9.089 32 HG SER 68 HG SER 68 0.233 11.575 -7.464 33 H LEU 69 H LEU 69 4.269 12.270 -9.720 34 HA LEU 69 HA LEU 69 3.287 14.518 -11.338 35 1HB LEU 69 1HB LEU 69 4.572 14.714 -9.036 36 2HB LEU 69 2HB LEU 69 5.981 14.522 -10.063 37 HG LEU 69 HG LEU 69 4.617 16.475 -11.395 38 1HD1 LEU 69 1HD1 LEU 69 4.088 16.813 -8.451 39 2HD1 LEU 69 2HD1 LEU 69 4.008 18.131 -9.620 40 3HD1 LEU 69 3HD1 LEU 69 2.910 16.759 -9.763 41 1HD2 LEU 69 1HD2 LEU 69 7.055 16.196 -10.332 42 2HD2 LEU 69 2HD2 LEU 69 6.443 17.734 -10.941 43 3HD2 LEU 69 3HD2 LEU 69 6.391 17.387 -9.213 44 H SER 70 H SER 70 5.385 11.780 -11.365 45 HA SER 70 HA SER 70 7.071 12.652 -13.501 46 1HB SER 70 1HB SER 70 6.533 9.851 -12.488 47 2HB SER 70 2HB SER 70 7.854 10.326 -13.554 48 HG SER 70 HG SER 70 7.460 10.921 -10.832 49 H CYS 71 H CYS 71 4.914 9.818 -13.541 50 HA CYS 71 HA CYS 71 3.584 10.747 -15.932 51 1HB CYS 71 1HB CYS 71 4.235 8.545 -17.123 52 2HB CYS 71 2HB CYS 71 5.399 9.864 -17.111 53 H ARG 72 H ARG 72 1.588 9.894 -16.134 54 HA ARG 72 HA ARG 72 0.888 7.666 -14.337 55 1HB ARG 72 1HB ARG 72 -1.436 8.695 -14.363 56 2HB ARG 72 2HB ARG 72 -0.203 9.578 -13.475 57 1HG ARG 72 1HG ARG 72 0.084 11.070 -15.418 58 2HG ARG 72 2HG ARG 72 -1.225 10.214 -16.235 59 1HD ARG 72 1HD ARG 72 -2.407 11.941 -15.326 60 2HD ARG 72 2HD ARG 72 -2.519 10.779 -14.006 61 HE ARG 72 HE ARG 72 -0.291 12.174 -13.393 62 1HH1 ARG 72 1HH1 ARG 72 -3.542 13.145 -14.216 63 2HH1 ARG 72 2HH1 ARG 72 -3.483 14.593 -13.270 64 1HH2 ARG 72 1HH2 ARG 72 -0.214 14.077 -12.144 65 2HH2 ARG 72 2HH2 ARG 72 -1.595 15.122 -12.092 66 H LYS 73 H LYS 73 1.023 5.987 -15.769 67 HA LYS 73 HA LYS 73 0.183 6.030 -18.443 68 1HB LYS 73 1HB LYS 73 0.402 3.698 -16.532 69 2HB LYS 73 2HB LYS 73 0.201 3.551 -18.273 70 1HG LYS 73 1HG LYS 73 2.356 5.082 -18.291 71 2HG LYS 73 2HG LYS 73 2.580 4.360 -16.696 72 1HD LYS 73 1HD LYS 73 2.326 2.117 -17.748 73 2HD LYS 73 2HD LYS 73 2.278 2.909 -19.323 74 1HE LYS 73 1HE LYS 73 4.538 3.921 -17.982 75 2HE LYS 73 2HE LYS 73 4.546 2.176 -17.730 76 1HZ LYS 73 1HZ LYS 73 4.185 2.000 -20.207 77 2HZ LYS 73 2HZ LYS 73 4.563 3.645 -20.300 78 3HZ LYS 73 3HZ LYS 73 5.709 2.545 -19.716 79 H GLU 74 H GLU 74 -1.462 4.534 -15.648 80 HA GLU 74 HA GLU 74 -4.009 5.527 -16.305 81 1HB GLU 74 1HB GLU 74 -3.284 3.514 -18.030 82 2HB GLU 74 2HB GLU 74 -4.185 2.641 -16.799 83 1HG GLU 74 1HG GLU 74 -6.140 3.870 -17.202 84 2HG GLU 74 2HG GLU 74 -5.272 5.107 -18.111 85 H GLN 75 H GLN 75 -5.775 4.116 -15.154 86 HA GLN 75 HA GLN 75 -5.136 4.029 -12.432 87 1HB GLN 75 1HB GLN 75 -7.449 3.290 -14.104 88 2HB GLN 75 2HB GLN 75 -7.345 2.445 -12.566 89 1HG GLN 75 1HG GLN 75 -8.575 4.253 -11.946 90 2HG GLN 75 2HG GLN 75 -6.952 4.865 -11.629 91 1HE2 GLN 75 1HE2 GLN 75 -9.670 6.018 -12.513 92 2HE2 GLN 75 2HE2 GLN 75 -9.241 7.084 -13.804 93 H GLY 76 H GLY 76 -4.885 1.613 -14.919 94 1HA GLY 76 1HA GLY 76 -4.478 -0.526 -12.973 95 2HA GLY 76 2HA GLY 76 -4.552 -0.709 -14.720 96 H LYS 77 H LYS 77 -2.533 1.451 -12.756 97 HA LYS 77 HA LYS 77 -0.165 -0.101 -13.458 98 1HB LYS 77 1HB LYS 77 -0.783 2.647 -14.443 99 2HB LYS 77 2HB LYS 77 0.881 2.271 -14.021 100 1HG LYS 77 1HG LYS 77 1.030 1.588 -16.145 101 2HG LYS 77 2HG LYS 77 0.238 0.127 -15.551 102 1HD LYS 77 1HD LYS 77 -1.914 0.943 -16.230 103 2HD LYS 77 2HD LYS 77 -1.236 2.519 -16.645 104 1HE LYS 77 1HE LYS 77 0.006 1.580 -18.462 105 2HE LYS 77 2HE LYS 77 -0.423 -0.059 -17.975 106 1HZ LYS 77 1HZ LYS 77 -2.688 1.659 -18.465 107 2HZ LYS 77 2HZ LYS 77 -1.728 1.387 -19.832 108 3HZ LYS 77 3HZ LYS 77 -2.393 0.078 -18.992 109 H PHE 78 H PHE 78 1.845 1.067 -12.451 110 HA PHE 78 HA PHE 78 1.176 2.414 -9.948 111 1HB PHE 78 1HB PHE 78 2.289 0.857 -8.542 112 2HB PHE 78 2HB PHE 78 1.237 -0.104 -9.575 113 HD1 PHE 78 HD1 PHE 78 2.188 -1.450 -11.401 114 HD2 PHE 78 HD2 PHE 78 4.658 0.658 -8.650 115 HE1 PHE 78 HE1 PHE 78 4.117 -2.808 -12.097 116 HE2 PHE 78 HE2 PHE 78 6.591 -0.697 -9.343 117 HZ PHE 78 HZ PHE 78 6.322 -2.434 -11.067 118 H TYR 79 H TYR 79 3.198 3.114 -8.779 119 HA TYR 79 HA TYR 79 5.295 3.811 -10.729 120 1HB TYR 79 1HB TYR 79 3.994 5.779 -10.068 121 2HB TYR 79 2HB TYR 79 4.309 5.433 -8.370 122 HD1 TYR 79 HD1 TYR 79 6.823 5.363 -7.669 123 HD2 TYR 79 HD2 TYR 79 5.399 7.223 -11.220 124 HE1 TYR 79 HE1 TYR 79 8.872 6.721 -7.772 125 HE2 TYR 79 HE2 TYR 79 7.442 8.586 -11.331 126 HH TYR 79 HH TYR 79 9.617 8.721 -10.530 127 H ASP 80 H ASP 80 7.276 3.101 -10.281 128 HA ASP 80 HA ASP 80 7.765 1.916 -7.654 129 1HB ASP 80 1HB ASP 80 8.221 0.577 -9.696 130 2HB ASP 80 2HB ASP 80 9.443 1.753 -10.167 131 H HIS 81 H HIS 81 8.977 2.875 -6.166 132 HA HIS 81 HA HIS 81 10.075 5.461 -6.613 133 1HB HIS 81 1HB HIS 81 10.789 5.351 -4.278 134 2HB HIS 81 2HB HIS 81 9.126 4.801 -4.448 135 HD1 HIS 81 HD1 HIS 81 8.720 2.205 -4.197 136 HD2 HIS 81 HD2 HIS 81 12.549 3.503 -3.238 137 HE1 HIS 81 HE1 HIS 81 9.776 0.307 -2.930 138 HE2 HIS 81 HE2 HIS 81 12.055 1.156 -2.274 139 H LEU 82 H LEU 82 11.575 2.291 -5.960 140 HA LEU 82 HA LEU 82 14.230 3.151 -5.992 141 1HB LEU 82 1HB LEU 82 14.830 0.834 -6.407 142 2HB LEU 82 2HB LEU 82 13.572 0.950 -5.192 143 HG LEU 82 HG LEU 82 12.320 0.624 -7.735 144 1HD1 LEU 82 1HD1 LEU 82 14.777 -0.960 -7.342 145 2HD1 LEU 82 2HD1 LEU 82 13.345 -1.852 -7.853 146 3HD1 LEU 82 3HD1 LEU 82 13.939 -0.507 -8.826 147 1HD2 LEU 82 1HD2 LEU 82 11.609 -0.016 -5.353 148 2HD2 LEU 82 2HD2 LEU 82 11.198 -1.120 -6.666 149 3HD2 LEU 82 3HD2 LEU 82 12.564 -1.476 -5.610 150 H LEU 83 H LEU 83 11.990 2.818 -8.572 151 HA LEU 83 HA LEU 83 14.151 2.926 -10.560 152 1HB LEU 83 1HB LEU 83 11.222 2.264 -10.821 153 2HB LEU 83 2HB LEU 83 12.286 2.477 -12.196 154 HG LEU 83 HG LEU 83 12.467 0.336 -10.079 155 1HD1 LEU 83 1HD1 LEU 83 10.743 -0.003 -11.787 156 2HD1 LEU 83 2HD1 LEU 83 11.963 0.182 -13.047 157 3HD1 LEU 83 3HD1 LEU 83 12.050 -1.180 -11.930 158 1HD2 LEU 83 1HD2 LEU 83 14.462 1.363 -11.983 159 2HD2 LEU 83 2HD2 LEU 83 14.679 0.468 -10.479 160 3HD2 LEU 83 3HD2 LEU 83 14.261 -0.389 -11.964 161 H ARG 84 H ARG 84 11.562 4.727 -9.140 162 HA ARG 84 HA ARG 84 10.915 6.896 -9.334 163 1HB ARG 84 1HB ARG 84 13.582 7.012 -9.659 164 2HB ARG 84 2HB ARG 84 13.076 7.616 -11.231 165 1HG ARG 84 1HG ARG 84 11.630 8.848 -9.027 166 2HG ARG 84 2HG ARG 84 13.374 9.106 -8.947 167 1HD ARG 84 1HD ARG 84 11.603 9.694 -11.318 168 2HD ARG 84 2HD ARG 84 12.259 10.888 -10.199 169 HE ARG 84 HE ARG 84 14.469 9.637 -11.112 170 1HH1 ARG 84 1HH1 ARG 84 11.742 11.106 -12.719 171 2HH1 ARG 84 2HH1 ARG 84 12.653 11.563 -14.119 172 1HH2 ARG 84 1HH2 ARG 84 15.669 10.237 -12.952 173 2HH2 ARG 84 2HH2 ARG 84 14.883 11.069 -14.252 174 H ASP 85 H ASP 85 10.420 4.738 -11.493 175 HA ASP 85 HA ASP 85 9.413 6.597 -13.548 176 1HB ASP 85 1HB ASP 85 10.316 3.729 -13.898 177 2HB ASP 85 2HB ASP 85 9.600 4.725 -15.160 178 H CYS 86 H CYS 86 7.577 5.422 -14.849 179 HA CYS 86 HA CYS 86 5.662 4.450 -12.844 180 1HB CYS 86 1HB CYS 86 3.951 5.067 -14.631 181 2HB CYS 86 2HB CYS 86 4.805 6.402 -13.865 182 H ILE 87 H ILE 87 6.082 2.285 -12.815 183 HA ILE 87 HA ILE 87 6.247 0.766 -15.272 184 HB ILE 87 HB ILE 87 6.208 -0.174 -12.401 185 1HG1 ILE 87 1HG1 ILE 87 8.690 -0.596 -12.974 186 2HG1 ILE 87 2HG1 ILE 87 8.427 0.517 -14.311 187 1HG2 ILE 87 1HG2 ILE 87 5.478 -1.898 -13.989 188 2HG2 ILE 87 2HG2 ILE 87 6.970 -1.673 -14.903 189 3HG2 ILE 87 3HG2 ILE 87 7.032 -2.292 -13.253 190 1HD1 ILE 87 1HD1 ILE 87 7.735 1.292 -11.509 191 2HD1 ILE 87 2HD1 ILE 87 9.384 1.428 -12.118 192 3HD1 ILE 87 3HD1 ILE 87 8.080 2.323 -12.898 193 H SER 88 H SER 88 4.793 -0.831 -15.936 194 HA SER 88 HA SER 88 2.056 -0.437 -14.955 195 1HB SER 88 1HB SER 88 2.300 -2.046 -17.371 196 2HB SER 88 2HB SER 88 1.377 -0.569 -17.094 197 HG SER 88 HG SER 88 3.465 0.536 -17.322 198 H CYS 89 H CYS 89 0.636 -2.433 -15.119 199 HA CYS 89 HA CYS 89 2.048 -4.655 -13.827 200 1HB CYS 89 1HB CYS 89 -0.891 -3.947 -13.892 201 2HB CYS 89 2HB CYS 89 -0.216 -5.348 -13.068 202 H ALA 90 H ALA 90 -0.347 -3.999 -16.358 203 HA ALA 90 HA ALA 90 -0.848 -6.575 -17.220 204 1HB ALA 90 1HB ALA 90 -1.971 -4.457 -17.985 205 2HB ALA 90 2HB ALA 90 -0.600 -4.213 -19.068 206 3HB ALA 90 3HB ALA 90 -1.628 -5.634 -19.253 207 H SER 91 H SER 91 2.002 -4.644 -17.661 208 HA SER 91 HA SER 91 3.058 -6.266 -19.799 209 1HB SER 91 1HB SER 91 5.192 -4.819 -18.853 210 2HB SER 91 2HB SER 91 4.068 -4.268 -20.095 211 HG SER 91 HG SER 91 3.540 -2.753 -18.758 212 H ILE 92 H ILE 92 3.155 -6.266 -16.337 213 HA ILE 92 HA ILE 92 5.259 -8.330 -16.401 214 HB ILE 92 HB ILE 92 5.435 -7.828 -13.900 215 1HG1 ILE 92 1HG1 ILE 92 3.981 -5.334 -14.806 216 2HG1 ILE 92 2HG1 ILE 92 3.363 -6.539 -13.681 217 1HG2 ILE 92 1HG2 ILE 92 6.837 -6.949 -16.010 218 2HG2 ILE 92 2HG2 ILE 92 6.308 -5.406 -15.337 219 3HG2 ILE 92 3HG2 ILE 92 7.229 -6.533 -14.341 220 1HD1 ILE 92 1HD1 ILE 92 5.364 -5.978 -12.226 221 2HD1 ILE 92 2HD1 ILE 92 5.591 -4.578 -13.274 222 3HD1 ILE 92 3HD1 ILE 92 4.097 -4.759 -12.355 223 H CYS 93 H CYS 93 2.251 -8.581 -16.765 224 HA CYS 93 HA CYS 93 1.128 -9.779 -14.494 225 1HB CYS 93 1HB CYS 93 0.502 -9.757 -17.393 226 2HB CYS 93 2HB CYS 93 -0.204 -11.060 -16.442 227 H GLY 94 H GLY 94 1.748 -11.519 -13.447 228 1HA GLY 94 1HA GLY 94 1.901 -13.980 -13.596 229 2HA GLY 94 2HA GLY 94 2.939 -13.737 -14.993 230 H GLN 95 H GLN 95 4.411 -11.534 -13.826 231 HA GLN 95 HA GLN 95 5.758 -12.786 -11.546 232 1HB GLN 95 1HB GLN 95 7.324 -11.685 -13.876 233 2HB GLN 95 2HB GLN 95 7.922 -12.629 -12.518 234 1HG GLN 95 1HG GLN 95 7.052 -14.616 -13.354 235 2HG GLN 95 2HG GLN 95 5.933 -13.783 -14.432 236 1HE2 GLN 95 1HE2 GLN 95 7.591 -15.825 -15.294 237 2HE2 GLN 95 2HE2 GLN 95 8.760 -15.177 -16.390 238 H HIS 96 H HIS 96 4.191 -10.806 -10.982 239 HA HIS 96 HA HIS 96 5.947 -8.452 -10.760 240 1HB HIS 96 1HB HIS 96 3.868 -7.052 -10.800 241 2HB HIS 96 2HB HIS 96 4.216 -7.867 -12.321 242 HD1 HIS 96 HD1 HIS 96 2.056 -8.506 -13.325 243 HD2 HIS 96 HD2 HIS 96 2.088 -9.135 -9.220 244 HE1 HIS 96 HE1 HIS 96 -0.150 -9.585 -12.794 245 HE2 HIS 96 HE2 HIS 96 -0.148 -9.864 -10.291 246 HA PRO 97 HA PRO 97 5.391 -8.585 -6.393 247 1HB PRO 97 1HB PRO 97 4.957 -5.667 -6.377 248 2HB PRO 97 2HB PRO 97 6.244 -6.614 -5.627 249 1HG PRO 97 1HG PRO 97 6.701 -5.082 -7.780 250 2HG PRO 97 2HG PRO 97 7.529 -6.632 -7.545 251 1HD PRO 97 1HD PRO 97 5.214 -5.969 -9.322 252 2HD PRO 97 2HD PRO 97 6.614 -7.016 -9.635 253 H LYS 98 H LYS 98 3.918 -7.705 -4.597 254 HA LYS 98 HA LYS 98 1.269 -8.406 -5.139 255 1HB LYS 98 1HB LYS 98 0.811 -7.207 -2.903 256 2HB LYS 98 2HB LYS 98 1.881 -8.600 -2.898 257 1HG LYS 98 1HG LYS 98 3.470 -6.295 -3.335 258 2HG LYS 98 2HG LYS 98 2.384 -5.959 -1.988 259 1HD LYS 98 1HD LYS 98 4.470 -6.938 -1.194 260 2HD LYS 98 2HD LYS 98 3.113 -8.023 -0.887 261 1HE LYS 98 1HE LYS 98 3.738 -9.153 -3.086 262 2HE LYS 98 2HE LYS 98 5.245 -8.242 -2.994 263 1HZ LYS 98 1HZ LYS 98 4.413 -9.811 -0.660 264 2HZ LYS 98 2HZ LYS 98 5.062 -10.631 -1.991 265 3HZ LYS 98 3HZ LYS 98 5.970 -9.439 -1.209 266 H GLN 99 H GLN 99 2.913 -5.376 -5.482 267 HA GLN 99 HA GLN 99 0.739 -3.611 -5.357 268 1HB GLN 99 1HB GLN 99 2.140 -2.089 -6.712 269 2HB GLN 99 2HB GLN 99 3.017 -2.791 -5.360 270 1HG GLN 99 1HG GLN 99 3.594 -4.573 -7.307 271 2HG GLN 99 2HG GLN 99 3.434 -3.092 -8.249 272 1HE2 GLN 99 1HE2 GLN 99 4.689 -3.739 -4.997 273 2HE2 GLN 99 2HE2 GLN 99 6.247 -3.047 -5.274 274 H CYS 100 H CYS 100 1.526 -5.994 -7.673 275 HA CYS 100 HA CYS 100 -0.467 -4.878 -9.530 276 1HB CYS 100 1HB CYS 100 2.099 -6.350 -10.083 277 2HB CYS 100 2HB CYS 100 0.802 -6.291 -11.272 278 H ALA 101 H ALA 101 -0.466 -6.911 -7.193 279 HA ALA 101 HA ALA 101 -1.066 -9.437 -8.331 280 1HB ALA 101 1HB ALA 101 -1.433 -8.216 -5.628 281 2HB ALA 101 2HB ALA 101 -2.148 -9.784 -6.004 282 3HB ALA 101 3HB ALA 101 -0.401 -9.558 -6.119 283 H TYR 102 H TYR 102 -2.898 -6.548 -7.954 284 HA TYR 102 HA TYR 102 -5.482 -7.787 -7.944 285 1HB TYR 102 1HB TYR 102 -6.322 -5.484 -8.303 286 2HB TYR 102 2HB TYR 102 -5.207 -5.599 -6.946 287 HD1 TYR 102 HD1 TYR 102 -5.306 -4.728 -10.570 288 HD2 TYR 102 HD2 TYR 102 -3.409 -4.134 -6.809 289 HE1 TYR 102 HE1 TYR 102 -3.938 -2.935 -11.550 290 HE2 TYR 102 HE2 TYR 102 -2.038 -2.339 -7.777 291 HH TYR 102 HH TYR 102 -1.851 -1.779 -11.146 292 H PHE 103 H PHE 103 -3.185 -7.202 -10.378 293 HA PHE 103 HA PHE 103 -5.156 -6.946 -12.502 294 1HB PHE 103 1HB PHE 103 -2.744 -5.858 -12.321 295 2HB PHE 103 2HB PHE 103 -2.258 -7.374 -13.072 296 HD1 PHE 103 HD1 PHE 103 -4.157 -8.013 -15.025 297 HD2 PHE 103 HD2 PHE 103 -2.850 -4.145 -13.827 298 HE1 PHE 103 HE1 PHE 103 -4.786 -7.122 -17.231 299 HE2 PHE 103 HE2 PHE 103 -3.478 -3.246 -16.029 300 HZ PHE 103 HZ PHE 103 -4.447 -4.735 -17.735 301 H CYS 104 H CYS 104 -2.331 -9.092 -12.110 302 HA CYS 104 HA CYS 104 -4.017 -11.330 -13.015 303 1HB CYS 104 1HB CYS 104 -1.142 -10.878 -13.837 304 2HB CYS 104 2HB CYS 104 -2.180 -12.201 -14.347 305 H GLU 105 H GLU 105 -4.200 -11.837 -10.738 306 HA GLU 105 HA GLU 105 -2.210 -13.695 -9.892 307 1HB GLU 105 1HB GLU 105 -1.953 -10.979 -9.004 308 2HB GLU 105 2HB GLU 105 -2.321 -12.007 -7.627 309 1HG GLU 105 1HG GLU 105 -0.311 -13.192 -9.333 310 2HG GLU 105 2HG GLU 105 0.161 -11.585 -8.782 311 H ASN 106 H ASN 106 -2.729 -14.057 -7.305 312 HA ASN 106 HA ASN 106 -5.114 -15.438 -7.213 313 1HB ASN 106 1HB ASN 106 -4.834 -15.097 -4.626 314 2HB ASN 106 2HB ASN 106 -3.654 -16.045 -5.524 315 1HD2 ASN 106 1HD2 ASN 106 -4.287 -12.724 -4.457 316 2HD2 ASN 106 2HD2 ASN 106 -2.635 -12.331 -4.133 317 H LYS 107 H LYS 107 -4.528 -12.058 -6.603 318 HA LYS 107 HA LYS 107 -7.017 -11.547 -5.300 319 1HB LYS 107 1HB LYS 107 -4.797 -9.892 -6.398 320 2HB LYS 107 2HB LYS 107 -6.351 -9.112 -6.135 321 1HG LYS 107 1HG LYS 107 -6.260 -10.009 -3.777 322 2HG LYS 107 2HG LYS 107 -4.582 -10.443 -4.107 323 1HD LYS 107 1HD LYS 107 -4.641 -8.297 -3.012 324 2HD LYS 107 2HD LYS 107 -4.131 -8.076 -4.687 325 1HE LYS 107 1HE LYS 107 -6.252 -7.239 -5.320 326 2HE LYS 107 2HE LYS 107 -6.989 -7.758 -3.804 327 1HZ LYS 107 1HZ LYS 107 -4.769 -5.900 -3.567 328 2HZ LYS 107 2HZ LYS 107 -6.177 -5.272 -4.264 329 3HZ LYS 107 3HZ LYS 107 -6.230 -5.955 -2.718 330 H LEU 108 H LEU 108 -5.955 -11.689 -8.610 331 HA LEU 108 HA LEU 108 -8.704 -11.416 -9.497 332 1HB LEU 108 1HB LEU 108 -7.082 -9.181 -9.542 333 2HB LEU 108 2HB LEU 108 -6.939 -9.804 -11.174 334 HG LEU 108 HG LEU 108 -8.700 -8.160 -11.096 335 1HD1 LEU 108 1HD1 LEU 108 -8.932 -10.579 -12.235 336 2HD1 LEU 108 2HD1 LEU 108 -10.358 -10.596 -11.196 337 3HD1 LEU 108 3HD1 LEU 108 -10.148 -9.311 -12.385 338 1HD2 LEU 108 1HD2 LEU 108 -9.113 -8.780 -8.563 339 2HD2 LEU 108 2HD2 LEU 108 -10.381 -8.061 -9.556 340 3HD2 LEU 108 3HD2 LEU 108 -10.369 -9.801 -9.264 341 H ARG 109 H ARG 109 -8.804 -13.384 -10.420 342 HA ARG 109 HA ARG 109 -6.726 -14.089 -12.384 343 1HB ARG 109 1HB ARG 109 -8.348 -15.706 -10.481 344 2HB ARG 109 2HB ARG 109 -7.930 -16.437 -12.024 345 1HG ARG 109 1HG ARG 109 -5.525 -15.467 -11.274 346 2HG ARG 109 2HG ARG 109 -6.241 -15.820 -9.700 347 1HD ARG 109 1HD ARG 109 -6.780 -17.989 -11.478 348 2HD ARG 109 2HD ARG 109 -5.057 -17.618 -11.533 349 HE ARG 109 HE ARG 109 -6.519 -18.755 -9.337 350 1HH1 ARG 109 1HH1 ARG 109 -3.683 -16.935 -10.244 351 2HH1 ARG 109 2HH1 ARG 109 -2.787 -17.389 -8.833 352 1HH2 ARG 109 1HH2 ARG 109 -5.342 -19.354 -7.480 353 2HH2 ARG 109 2HH2 ARG 109 -3.728 -18.764 -7.265 Start of MODEL 8 1 1H GLY 64 1H GLY 64 4.254 8.407 -3.570 2 2H GLY 64 2H GLY 64 3.118 8.993 -2.462 3 3H GLY 64 3H GLY 64 4.329 10.016 -3.053 4 1HA GLY 64 1HA GLY 64 2.008 8.908 -4.521 5 2HA GLY 64 2HA GLY 64 2.359 10.599 -4.194 6 H SER 65 H SER 65 3.637 11.731 -5.572 7 HA SER 65 HA SER 65 4.885 10.233 -7.779 8 1HB SER 65 1HB SER 65 3.619 12.942 -8.156 9 2HB SER 65 2HB SER 65 4.094 11.774 -9.388 10 HG SER 65 HG SER 65 1.880 11.665 -9.130 11 HA PRO 66 HA PRO 66 8.086 12.843 -5.675 12 1HB PRO 66 1HB PRO 66 9.806 10.672 -6.699 13 2HB PRO 66 2HB PRO 66 9.697 11.346 -5.072 14 1HG PRO 66 1HG PRO 66 8.726 8.916 -5.642 15 2HG PRO 66 2HG PRO 66 7.919 9.990 -4.484 16 1HD PRO 66 1HD PRO 66 7.208 9.392 -7.329 17 2HD PRO 66 2HD PRO 66 6.146 9.598 -5.921 18 H TRP 67 H TRP 67 9.076 10.921 -8.519 19 HA TRP 67 HA TRP 67 10.050 13.400 -9.746 20 1HB TRP 67 1HB TRP 67 10.678 10.540 -10.494 21 2HB TRP 67 2HB TRP 67 11.419 11.980 -11.185 22 HD1 TRP 67 HD1 TRP 67 13.195 13.303 -9.649 23 HE1 TRP 67 HE1 TRP 67 14.588 12.540 -7.622 24 HE3 TRP 67 HE3 TRP 67 10.625 9.061 -8.463 25 HZ2 TRP 67 HZ2 TRP 67 14.593 10.411 -5.762 26 HZ3 TRP 67 HZ3 TRP 67 11.382 7.710 -6.547 27 HH2 TRP 67 HH2 TRP 67 13.327 8.374 -5.226 28 H SER 68 H SER 68 8.664 10.335 -10.928 29 HA SER 68 HA SER 68 7.692 11.431 -13.333 30 1HB SER 68 1HB SER 68 7.937 8.890 -12.284 31 2HB SER 68 2HB SER 68 6.189 9.115 -12.356 32 HG SER 68 HG SER 68 8.005 8.802 -14.383 33 H LEU 69 H LEU 69 6.187 12.952 -13.484 34 HA LEU 69 HA LEU 69 3.982 12.973 -11.542 35 1HB LEU 69 1HB LEU 69 5.353 15.074 -13.146 36 2HB LEU 69 2HB LEU 69 3.657 15.309 -12.765 37 HG LEU 69 HG LEU 69 5.695 14.728 -10.629 38 1HD1 LEU 69 1HD1 LEU 69 4.950 17.351 -11.882 39 2HD1 LEU 69 2HD1 LEU 69 5.568 17.240 -10.234 40 3HD1 LEU 69 3HD1 LEU 69 6.556 16.686 -11.586 41 1HD2 LEU 69 1HD2 LEU 69 2.854 15.116 -10.707 42 2HD2 LEU 69 2HD2 LEU 69 3.886 14.694 -9.343 43 3HD2 LEU 69 3HD2 LEU 69 3.607 16.388 -9.747 44 H SER 70 H SER 70 4.744 12.640 -14.916 45 HA SER 70 HA SER 70 1.872 12.502 -15.551 46 1HB SER 70 1HB SER 70 2.894 14.190 -16.896 47 2HB SER 70 2HB SER 70 4.259 13.145 -17.288 48 HG SER 70 HG SER 70 1.598 12.509 -18.008 49 H CYS 71 H CYS 71 1.078 10.767 -16.752 50 HA CYS 71 HA CYS 71 2.768 8.637 -17.648 51 1HB CYS 71 1HB CYS 71 2.525 8.405 -15.065 52 2HB CYS 71 2HB CYS 71 0.895 7.854 -15.434 53 H ARG 72 H ARG 72 1.423 6.756 -18.444 54 HA ARG 72 HA ARG 72 -0.553 7.653 -20.192 55 1HB ARG 72 1HB ARG 72 0.365 4.971 -19.263 56 2HB ARG 72 2HB ARG 72 -1.136 5.067 -20.174 57 1HG ARG 72 1HG ARG 72 0.388 6.521 -21.789 58 2HG ARG 72 2HG ARG 72 1.652 5.536 -21.049 59 1HD ARG 72 1HD ARG 72 -0.198 3.644 -21.591 60 2HD ARG 72 2HD ARG 72 -0.504 4.777 -22.907 61 HE ARG 72 HE ARG 72 2.180 4.484 -22.968 62 1HH1 ARG 72 1HH1 ARG 72 -0.460 2.202 -22.948 63 2HH1 ARG 72 2HH1 ARG 72 0.402 1.007 -23.857 64 1HH2 ARG 72 1HH2 ARG 72 3.315 2.913 -24.163 65 2HH2 ARG 72 2HH2 ARG 72 2.546 1.409 -24.546 66 H LYS 73 H LYS 73 -2.808 6.621 -20.280 67 HA LYS 73 HA LYS 73 -4.191 7.405 -17.867 68 1HB LYS 73 1HB LYS 73 -6.240 6.971 -19.235 69 2HB LYS 73 2HB LYS 73 -5.139 8.150 -19.935 70 1HG LYS 73 1HG LYS 73 -4.793 6.912 -21.758 71 2HG LYS 73 2HG LYS 73 -4.622 5.423 -20.826 72 1HD LYS 73 1HD LYS 73 -6.533 5.054 -22.113 73 2HD LYS 73 2HD LYS 73 -7.176 5.550 -20.546 74 1HE LYS 73 1HE LYS 73 -7.489 7.816 -21.375 75 2HE LYS 73 2HE LYS 73 -6.793 7.360 -22.929 76 1HZ LYS 73 1HZ LYS 73 -8.629 5.782 -23.213 77 2HZ LYS 73 2HZ LYS 73 -9.310 6.305 -21.755 78 3HZ LYS 73 3HZ LYS 73 -9.183 7.374 -23.060 79 H GLU 74 H GLU 74 -3.053 4.486 -19.229 80 HA GLU 74 HA GLU 74 -4.914 2.594 -18.506 81 1HB GLU 74 1HB GLU 74 -2.136 2.626 -19.187 82 2HB GLU 74 2HB GLU 74 -2.367 1.535 -17.829 83 1HG GLU 74 1HG GLU 74 -2.668 0.122 -19.601 84 2HG GLU 74 2HG GLU 74 -4.329 0.607 -19.264 85 H GLN 75 H GLN 75 -5.883 2.172 -16.648 86 HA GLN 75 HA GLN 75 -5.165 3.283 -14.183 87 1HB GLN 75 1HB GLN 75 -7.297 1.764 -15.201 88 2HB GLN 75 2HB GLN 75 -6.670 0.839 -13.844 89 1HG GLN 75 1HG GLN 75 -6.991 2.680 -12.354 90 2HG GLN 75 2HG GLN 75 -7.418 3.747 -13.691 91 1HE2 GLN 75 1HE2 GLN 75 -9.436 4.260 -12.967 92 2HE2 GLN 75 2HE2 GLN 75 -10.735 3.125 -12.878 93 H GLY 76 H GLY 76 -4.323 0.222 -15.674 94 1HA GLY 76 1HA GLY 76 -3.183 -0.911 -13.294 95 2HA GLY 76 2HA GLY 76 -3.020 -1.535 -14.928 96 H LYS 77 H LYS 77 -1.975 1.325 -13.068 97 HA LYS 77 HA LYS 77 0.773 0.791 -13.912 98 1HB LYS 77 1HB LYS 77 -0.871 3.102 -14.712 99 2HB LYS 77 2HB LYS 77 0.726 3.510 -14.099 100 1HG LYS 77 1HG LYS 77 1.785 2.647 -15.891 101 2HG LYS 77 2HG LYS 77 0.629 1.326 -16.073 102 1HD LYS 77 1HD LYS 77 -1.016 3.078 -16.896 103 2HD LYS 77 2HD LYS 77 0.360 4.178 -16.994 104 1HE LYS 77 1HE LYS 77 0.195 1.508 -18.385 105 2HE LYS 77 2HE LYS 77 -0.179 3.054 -19.143 106 1HZ LYS 77 1HZ LYS 77 2.314 3.342 -17.979 107 2HZ LYS 77 2HZ LYS 77 2.341 1.833 -18.746 108 3HZ LYS 77 3HZ LYS 77 1.962 3.226 -19.628 109 H PHE 78 H PHE 78 2.075 0.849 -12.218 110 HA PHE 78 HA PHE 78 1.260 2.429 -9.869 111 1HB PHE 78 1HB PHE 78 2.469 0.825 -8.492 112 2HB PHE 78 2HB PHE 78 1.295 -0.018 -9.497 113 HD1 PHE 78 HD1 PHE 78 2.039 -1.365 -11.406 114 HD2 PHE 78 HD2 PHE 78 4.814 0.480 -8.760 115 HE1 PHE 78 HE1 PHE 78 3.823 -2.825 -12.264 116 HE2 PHE 78 HE2 PHE 78 6.603 -0.974 -9.616 117 HZ PHE 78 HZ PHE 78 6.108 -2.633 -11.367 118 H TYR 79 H TYR 79 3.333 2.807 -8.413 119 HA TYR 79 HA TYR 79 5.412 3.933 -10.174 120 1HB TYR 79 1HB TYR 79 3.853 5.527 -8.855 121 2HB TYR 79 2HB TYR 79 4.781 5.029 -7.446 122 HD1 TYR 79 HD1 TYR 79 7.471 5.058 -8.009 123 HD2 TYR 79 HD2 TYR 79 4.493 7.534 -9.772 124 HE1 TYR 79 HE1 TYR 79 9.191 6.728 -8.552 125 HE2 TYR 79 HE2 TYR 79 6.205 9.212 -10.318 126 HH TYR 79 HH TYR 79 9.538 8.569 -10.129 127 H ASP 80 H ASP 80 7.401 3.177 -9.902 128 HA ASP 80 HA ASP 80 8.012 1.726 -7.411 129 1HB ASP 80 1HB ASP 80 7.998 0.424 -9.590 130 2HB ASP 80 2HB ASP 80 9.411 1.360 -10.063 131 H HIS 81 H HIS 81 9.199 2.913 -6.086 132 HA HIS 81 HA HIS 81 10.567 5.235 -6.687 133 1HB HIS 81 1HB HIS 81 11.597 5.058 -4.512 134 2HB HIS 81 2HB HIS 81 9.935 4.490 -4.405 135 HD1 HIS 81 HD1 HIS 81 9.769 1.718 -4.619 136 HD2 HIS 81 HD2 HIS 81 13.364 3.377 -3.357 137 HE1 HIS 81 HE1 HIS 81 11.004 -0.147 -3.471 138 HE2 HIS 81 HE2 HIS 81 13.141 0.902 -2.644 139 H LEU 82 H LEU 82 11.941 1.956 -6.378 140 HA LEU 82 HA LEU 82 14.603 2.627 -6.820 141 1HB LEU 82 1HB LEU 82 14.967 0.318 -7.395 142 2HB LEU 82 2HB LEU 82 13.842 0.421 -6.054 143 HG LEU 82 HG LEU 82 12.182 0.349 -8.266 144 1HD1 LEU 82 1HD1 LEU 82 14.654 -1.256 -8.757 145 2HD1 LEU 82 2HD1 LEU 82 13.089 -1.830 -9.335 146 3HD1 LEU 82 3HD1 LEU 82 13.714 -0.272 -9.880 147 1HD2 LEU 82 1HD2 LEU 82 12.167 -0.851 -5.976 148 2HD2 LEU 82 2HD2 LEU 82 11.413 -1.644 -7.359 149 3HD2 LEU 82 3HD2 LEU 82 13.020 -2.139 -6.828 150 H LEU 83 H LEU 83 11.966 2.570 -9.035 151 HA LEU 83 HA LEU 83 13.795 2.671 -11.329 152 1HB LEU 83 1HB LEU 83 10.827 2.212 -11.121 153 2HB LEU 83 2HB LEU 83 11.628 2.510 -12.650 154 HG LEU 83 HG LEU 83 11.997 0.149 -10.814 155 1HD1 LEU 83 1HD1 LEU 83 10.585 0.673 -13.330 156 2HD1 LEU 83 2HD1 LEU 83 11.564 -0.795 -13.322 157 3HD1 LEU 83 3HD1 LEU 83 10.309 -0.565 -12.105 158 1HD2 LEU 83 1HD2 LEU 83 13.630 0.985 -13.204 159 2HD2 LEU 83 2HD2 LEU 83 14.193 0.712 -11.555 160 3HD2 LEU 83 3HD2 LEU 83 13.634 -0.646 -12.533 161 H ARG 84 H ARG 84 11.614 4.569 -9.429 162 HA ARG 84 HA ARG 84 11.145 6.791 -9.397 163 1HB ARG 84 1HB ARG 84 13.312 7.045 -11.488 164 2HB ARG 84 2HB ARG 84 12.646 8.346 -10.511 165 1HG ARG 84 1HG ARG 84 14.373 7.978 -9.157 166 2HG ARG 84 2HG ARG 84 13.472 6.562 -8.610 167 1HD ARG 84 1HD ARG 84 14.766 5.103 -9.813 168 2HD ARG 84 2HD ARG 84 15.178 6.306 -11.035 169 HE ARG 84 HE ARG 84 16.680 5.672 -8.729 170 1HH1 ARG 84 1HH1 ARG 84 15.694 8.398 -10.670 171 2HH1 ARG 84 2HH1 ARG 84 17.078 9.352 -10.258 172 1HH2 ARG 84 1HH2 ARG 84 18.503 6.926 -8.186 173 2HH2 ARG 84 2HH2 ARG 84 18.675 8.515 -8.850 174 H ASP 85 H ASP 85 10.073 4.841 -11.511 175 HA ASP 85 HA ASP 85 8.771 6.913 -13.138 176 1HB ASP 85 1HB ASP 85 10.077 4.377 -14.087 177 2HB ASP 85 2HB ASP 85 8.745 5.090 -14.990 178 H CYS 86 H CYS 86 6.863 5.731 -14.400 179 HA CYS 86 HA CYS 86 5.339 4.309 -12.332 180 1HB CYS 86 1HB CYS 86 3.340 4.984 -13.716 181 2HB CYS 86 2HB CYS 86 4.228 6.318 -12.990 182 H ILE 87 H ILE 87 5.828 2.208 -12.631 183 HA ILE 87 HA ILE 87 5.933 1.033 -15.266 184 HB ILE 87 HB ILE 87 6.101 -0.298 -12.562 185 1HG1 ILE 87 1HG1 ILE 87 8.603 -0.390 -13.346 186 2HG1 ILE 87 2HG1 ILE 87 8.137 0.984 -14.341 187 1HG2 ILE 87 1HG2 ILE 87 6.258 -1.285 -15.335 188 2HG2 ILE 87 2HG2 ILE 87 7.474 -1.902 -14.217 189 3HG2 ILE 87 3HG2 ILE 87 5.760 -2.113 -13.859 190 1HD1 ILE 87 1HD1 ILE 87 7.527 0.998 -11.426 191 2HD1 ILE 87 2HD1 ILE 87 9.156 1.366 -11.994 192 3HD1 ILE 87 3HD1 ILE 87 7.794 2.350 -12.526 193 H SER 88 H SER 88 4.544 -0.521 -16.097 194 HA SER 88 HA SER 88 1.810 -0.324 -15.159 195 1HB SER 88 1HB SER 88 2.381 -2.153 -17.397 196 2HB SER 88 2HB SER 88 1.210 -0.839 -17.283 197 HG SER 88 HG SER 88 3.254 -0.720 -18.721 198 H CYS 89 H CYS 89 0.465 -2.375 -15.179 199 HA CYS 89 HA CYS 89 1.884 -4.414 -13.614 200 1HB CYS 89 1HB CYS 89 -1.017 -3.613 -13.770 201 2HB CYS 89 2HB CYS 89 -0.503 -5.111 -13.001 202 H ALA 90 H ALA 90 -0.443 -4.062 -16.269 203 HA ALA 90 HA ALA 90 -0.799 -6.759 -16.871 204 1HB ALA 90 1HB ALA 90 -1.748 -4.409 -17.881 205 2HB ALA 90 2HB ALA 90 -0.748 -4.999 -19.208 206 3HB ALA 90 3HB ALA 90 -2.048 -6.004 -18.570 207 H SER 91 H SER 91 1.763 -4.539 -17.781 208 HA SER 91 HA SER 91 2.957 -6.227 -19.733 209 1HB SER 91 1HB SER 91 4.789 -4.669 -19.720 210 2HB SER 91 2HB SER 91 3.296 -3.744 -19.566 211 HG SER 91 HG SER 91 4.169 -2.949 -17.838 212 H ILE 92 H ILE 92 2.954 -6.279 -16.312 213 HA ILE 92 HA ILE 92 5.238 -8.142 -16.338 214 HB ILE 92 HB ILE 92 5.395 -7.532 -13.837 215 1HG1 ILE 92 1HG1 ILE 92 4.009 -5.047 -14.868 216 2HG1 ILE 92 2HG1 ILE 92 3.257 -6.243 -13.817 217 1HG2 ILE 92 1HG2 ILE 92 6.319 -5.949 -16.177 218 2HG2 ILE 92 2HG2 ILE 92 6.645 -5.330 -14.558 219 3HG2 ILE 92 3HG2 ILE 92 7.243 -6.920 -15.032 220 1HD1 ILE 92 1HD1 ILE 92 5.510 -5.641 -12.426 221 2HD1 ILE 92 2HD1 ILE 92 5.136 -4.096 -13.189 222 3HD1 ILE 92 3HD1 ILE 92 3.933 -4.893 -12.174 223 H CYS 93 H CYS 93 2.282 -8.627 -16.659 224 HA CYS 93 HA CYS 93 1.246 -9.775 -14.316 225 1HB CYS 93 1HB CYS 93 0.611 -9.944 -17.209 226 2HB CYS 93 2HB CYS 93 -0.006 -11.236 -16.184 227 H GLY 94 H GLY 94 2.001 -11.413 -13.189 228 1HA GLY 94 1HA GLY 94 2.363 -13.827 -13.135 229 2HA GLY 94 2HA GLY 94 3.243 -13.660 -14.646 230 H GLN 95 H GLN 95 4.579 -11.192 -13.673 231 HA GLN 95 HA GLN 95 6.307 -12.281 -11.569 232 1HB GLN 95 1HB GLN 95 7.314 -11.104 -14.167 233 2HB GLN 95 2HB GLN 95 8.318 -11.593 -12.810 234 1HG GLN 95 1HG GLN 95 8.075 -13.816 -13.245 235 2HG GLN 95 2HG GLN 95 6.492 -13.611 -13.994 236 1HE2 GLN 95 1HE2 GLN 95 6.436 -13.878 -16.098 237 2HE2 GLN 95 2HE2 GLN 95 7.756 -13.663 -17.191 238 H HIS 96 H HIS 96 4.399 -10.416 -11.090 239 HA HIS 96 HA HIS 96 5.935 -7.912 -10.819 240 1HB HIS 96 1HB HIS 96 3.719 -6.749 -10.799 241 2HB HIS 96 2HB HIS 96 4.092 -7.533 -12.329 242 HD1 HIS 96 HD1 HIS 96 1.937 -8.327 -13.231 243 HD2 HIS 96 HD2 HIS 96 2.274 -9.068 -9.157 244 HE1 HIS 96 HE1 HIS 96 -0.118 -9.640 -12.613 245 HE2 HIS 96 HE2 HIS 96 0.052 -9.971 -10.122 246 HA PRO 97 HA PRO 97 5.488 -8.104 -6.442 247 1HB PRO 97 1HB PRO 97 4.742 -5.542 -5.799 248 2HB PRO 97 2HB PRO 97 6.396 -6.021 -6.194 249 1HG PRO 97 1HG PRO 97 4.329 -4.732 -7.929 250 2HG PRO 97 2HG PRO 97 6.066 -4.393 -7.814 251 1HD PRO 97 1HD PRO 97 5.033 -5.850 -9.824 252 2HD PRO 97 2HD PRO 97 6.634 -6.201 -9.144 253 H LYS 98 H LYS 98 3.938 -7.655 -4.612 254 HA LYS 98 HA LYS 98 1.441 -8.769 -5.139 255 1HB LYS 98 1HB LYS 98 2.831 -8.329 -2.896 256 2HB LYS 98 2HB LYS 98 1.699 -6.990 -2.773 257 1HG LYS 98 1HG LYS 98 -0.054 -8.900 -3.297 258 2HG LYS 98 2HG LYS 98 1.216 -9.909 -2.602 259 1HD LYS 98 1HD LYS 98 -0.225 -9.288 -0.817 260 2HD LYS 98 2HD LYS 98 1.247 -8.331 -0.641 261 1HE LYS 98 1HE LYS 98 -0.179 -6.647 -2.149 262 2HE LYS 98 2HE LYS 98 -1.503 -7.486 -1.342 263 1HZ LYS 98 1HZ LYS 98 0.683 -6.608 0.361 264 2HZ LYS 98 2HZ LYS 98 -0.268 -5.381 -0.309 265 3HZ LYS 98 3HZ LYS 98 -0.986 -6.582 0.640 266 H GLN 99 H GLN 99 2.496 -5.473 -5.326 267 HA GLN 99 HA GLN 99 0.050 -4.144 -5.025 268 1HB GLN 99 1HB GLN 99 2.461 -3.203 -5.219 269 2HB GLN 99 2HB GLN 99 2.152 -3.206 -6.950 270 1HG GLN 99 1HG GLN 99 1.686 -1.030 -6.050 271 2HG GLN 99 2HG GLN 99 0.184 -1.784 -6.583 272 1HE2 GLN 99 1HE2 GLN 99 2.103 -2.108 -3.618 273 2HE2 GLN 99 2HE2 GLN 99 0.821 -1.690 -2.538 274 H CYS 100 H CYS 100 1.487 -5.750 -7.799 275 HA CYS 100 HA CYS 100 -0.719 -4.908 -9.518 276 1HB CYS 100 1HB CYS 100 1.866 -6.367 -10.037 277 2HB CYS 100 2HB CYS 100 0.605 -6.237 -11.259 278 H ALA 101 H ALA 101 -1.069 -6.793 -7.245 279 HA ALA 101 HA ALA 101 -1.467 -9.395 -8.368 280 1HB ALA 101 1HB ALA 101 -0.953 -9.056 -5.989 281 2HB ALA 101 2HB ALA 101 -2.514 -8.263 -5.777 282 3HB ALA 101 3HB ALA 101 -2.444 -9.968 -6.225 283 H TYR 102 H TYR 102 -3.424 -6.542 -7.916 284 HA TYR 102 HA TYR 102 -5.965 -7.719 -8.203 285 1HB TYR 102 1HB TYR 102 -6.746 -5.452 -8.741 286 2HB TYR 102 2HB TYR 102 -5.667 -5.447 -7.350 287 HD1 TYR 102 HD1 TYR 102 -5.832 -4.735 -10.988 288 HD2 TYR 102 HD2 TYR 102 -3.700 -4.149 -7.352 289 HE1 TYR 102 HE1 TYR 102 -4.430 -3.040 -12.089 290 HE2 TYR 102 HE2 TYR 102 -2.294 -2.452 -8.441 291 HH TYR 102 HH TYR 102 -1.661 -1.607 -10.476 292 H PHE 103 H PHE 103 -3.464 -7.230 -10.476 293 HA PHE 103 HA PHE 103 -5.256 -7.213 -12.767 294 1HB PHE 103 1HB PHE 103 -2.924 -5.986 -12.458 295 2HB PHE 103 2HB PHE 103 -2.302 -7.519 -13.060 296 HD1 PHE 103 HD1 PHE 103 -4.152 -8.344 -15.075 297 HD2 PHE 103 HD2 PHE 103 -2.817 -4.419 -14.121 298 HE1 PHE 103 HE1 PHE 103 -4.628 -7.628 -17.379 299 HE2 PHE 103 HE2 PHE 103 -3.292 -3.693 -16.423 300 HZ PHE 103 HZ PHE 103 -4.198 -5.298 -18.057 301 H CYS 104 H CYS 104 -2.372 -9.169 -11.988 302 HA CYS 104 HA CYS 104 -3.868 -11.570 -12.786 303 1HB CYS 104 1HB CYS 104 -1.015 -11.024 -13.621 304 2HB CYS 104 2HB CYS 104 -2.006 -12.404 -14.075 305 H GLU 105 H GLU 105 -4.049 -12.358 -10.709 306 HA GLU 105 HA GLU 105 -1.748 -13.661 -9.636 307 1HB GLU 105 1HB GLU 105 -2.445 -11.034 -8.624 308 2HB GLU 105 2HB GLU 105 -2.502 -12.247 -7.355 309 1HG GLU 105 1HG GLU 105 -0.161 -11.689 -9.161 310 2HG GLU 105 2HG GLU 105 -0.318 -11.188 -7.479 311 H ASN 106 H ASN 106 -2.456 -14.266 -7.141 312 HA ASN 106 HA ASN 106 -4.440 -16.201 -7.422 313 1HB ASN 106 1HB ASN 106 -4.348 -16.329 -4.912 314 2HB ASN 106 2HB ASN 106 -2.782 -16.444 -5.710 315 1HD2 ASN 106 1HD2 ASN 106 -1.332 -14.730 -5.555 316 2HD2 ASN 106 2HD2 ASN 106 -1.499 -13.493 -4.360 317 H LYS 107 H LYS 107 -4.710 -12.836 -6.681 318 HA LYS 107 HA LYS 107 -7.431 -13.141 -5.670 319 1HB LYS 107 1HB LYS 107 -7.330 -10.775 -5.154 320 2HB LYS 107 2HB LYS 107 -5.893 -11.577 -4.534 321 1HG LYS 107 1HG LYS 107 -4.573 -10.733 -6.359 322 2HG LYS 107 2HG LYS 107 -6.006 -10.043 -7.122 323 1HD LYS 107 1HD LYS 107 -5.091 -9.257 -4.364 324 2HD LYS 107 2HD LYS 107 -4.536 -8.435 -5.824 325 1HE LYS 107 1HE LYS 107 -6.318 -7.111 -5.450 326 2HE LYS 107 2HE LYS 107 -7.203 -8.417 -6.238 327 1HZ LYS 107 1HZ LYS 107 -6.779 -8.564 -3.341 328 2HZ LYS 107 2HZ LYS 107 -7.947 -7.489 -3.926 329 3HZ LYS 107 3HZ LYS 107 -8.069 -9.140 -4.273 330 H LEU 108 H LEU 108 -6.975 -13.873 -8.385 331 HA LEU 108 HA LEU 108 -9.110 -12.588 -9.644 332 1HB LEU 108 1HB LEU 108 -6.954 -10.932 -9.689 333 2HB LEU 108 2HB LEU 108 -6.723 -11.810 -11.189 334 HG LEU 108 HG LEU 108 -7.930 -9.788 -11.657 335 1HD1 LEU 108 1HD1 LEU 108 -8.568 -11.831 -12.890 336 2HD1 LEU 108 2HD1 LEU 108 -9.857 -12.105 -11.718 337 3HD1 LEU 108 3HD1 LEU 108 -9.889 -10.672 -12.746 338 1HD2 LEU 108 1HD2 LEU 108 -9.486 -10.602 -9.276 339 2HD2 LEU 108 2HD2 LEU 108 -9.009 -8.997 -9.828 340 3HD2 LEU 108 3HD2 LEU 108 -10.377 -9.818 -10.580 341 H ARG 109 H ARG 109 -8.335 -15.209 -9.264 342 HA ARG 109 HA ARG 109 -7.812 -16.088 -12.027 343 1HB ARG 109 1HB ARG 109 -5.941 -16.541 -10.373 344 2HB ARG 109 2HB ARG 109 -7.042 -17.645 -9.560 345 1HG ARG 109 1HG ARG 109 -7.020 -19.162 -11.301 346 2HG ARG 109 2HG ARG 109 -6.506 -17.956 -12.481 347 1HD ARG 109 1HD ARG 109 -4.392 -17.883 -10.848 348 2HD ARG 109 2HD ARG 109 -4.908 -19.543 -10.556 349 HE ARG 109 HE ARG 109 -3.743 -18.477 -12.969 350 1HH1 ARG 109 1HH1 ARG 109 -5.645 -21.055 -11.581 351 2HH1 ARG 109 2HH1 ARG 109 -5.267 -22.179 -12.843 352 1HH2 ARG 109 1HH2 ARG 109 -3.246 -19.955 -14.628 353 2HH2 ARG 109 2HH2 ARG 109 -3.905 -21.557 -14.571 Start of MODEL 9 1 1H GLY 64 1H GLY 64 6.043 12.967 -1.777 2 2H GLY 64 2H GLY 64 4.725 13.145 -0.731 3 3H GLY 64 3H GLY 64 4.644 13.758 -2.306 4 1HA GLY 64 1HA GLY 64 4.209 11.069 -1.341 5 2HA GLY 64 2HA GLY 64 3.548 11.872 -2.757 6 H SER 65 H SER 65 5.377 12.386 -4.443 7 HA SER 65 HA SER 65 6.872 9.879 -4.820 8 1HB SER 65 1HB SER 65 6.781 10.385 -7.242 9 2HB SER 65 2HB SER 65 5.172 10.253 -6.533 10 HG SER 65 HG SER 65 4.814 12.238 -7.093 11 HA PRO 66 HA PRO 66 10.577 12.284 -4.216 12 1HB PRO 66 1HB PRO 66 12.291 10.494 -5.435 13 2HB PRO 66 2HB PRO 66 11.764 10.400 -3.753 14 1HG PRO 66 1HG PRO 66 10.743 8.929 -6.144 15 2HG PRO 66 2HG PRO 66 10.998 8.346 -4.490 16 1HD PRO 66 1HD PRO 66 8.550 8.955 -5.411 17 2HD PRO 66 2HD PRO 66 9.017 9.266 -3.725 18 H TRP 67 H TRP 67 11.073 10.495 -7.246 19 HA TRP 67 HA TRP 67 11.496 13.077 -8.590 20 1HB TRP 67 1HB TRP 67 12.459 10.477 -9.729 21 2HB TRP 67 2HB TRP 67 13.108 12.098 -9.953 22 HD1 TRP 67 HD1 TRP 67 14.981 12.891 -8.304 23 HE1 TRP 67 HE1 TRP 67 16.281 11.741 -6.402 24 HE3 TRP 67 HE3 TRP 67 12.132 8.678 -7.808 25 HZ2 TRP 67 HZ2 TRP 67 16.120 9.360 -4.893 26 HZ3 TRP 67 HZ3 TRP 67 12.771 7.013 -6.113 27 HH2 TRP 67 HH2 TRP 67 14.724 7.348 -4.687 28 H SER 68 H SER 68 9.254 13.355 -9.028 29 HA SER 68 HA SER 68 8.450 12.321 -11.545 30 1HB SER 68 1HB SER 68 7.932 10.419 -9.871 31 2HB SER 68 2HB SER 68 6.627 11.463 -9.308 32 HG SER 68 HG SER 68 6.982 10.285 -11.847 33 H LEU 69 H LEU 69 6.982 13.642 -12.487 34 HA LEU 69 HA LEU 69 5.953 15.843 -10.838 35 1HB LEU 69 1HB LEU 69 7.151 15.700 -13.440 36 2HB LEU 69 2HB LEU 69 5.538 16.371 -13.588 37 HG LEU 69 HG LEU 69 7.335 17.485 -11.488 38 1HD1 LEU 69 1HD1 LEU 69 8.536 17.236 -13.785 39 2HD1 LEU 69 2HD1 LEU 69 7.489 18.572 -14.263 40 3HD1 LEU 69 3HD1 LEU 69 8.609 18.767 -12.914 41 1HD2 LEU 69 1HD2 LEU 69 4.937 18.267 -13.015 42 2HD2 LEU 69 2HD2 LEU 69 5.397 18.633 -11.353 43 3HD2 LEU 69 3HD2 LEU 69 6.097 19.555 -12.683 44 H SER 70 H SER 70 4.946 13.845 -13.617 45 HA SER 70 HA SER 70 2.478 13.098 -12.532 46 1HB SER 70 1HB SER 70 2.497 15.767 -13.554 47 2HB SER 70 2HB SER 70 1.501 14.774 -14.619 48 HG SER 70 HG SER 70 0.373 14.075 -12.726 49 H CYS 71 H CYS 71 2.863 11.122 -13.431 50 HA CYS 71 HA CYS 71 3.140 10.986 -16.355 51 1HB CYS 71 1HB CYS 71 4.940 9.876 -15.165 52 2HB CYS 71 2HB CYS 71 3.784 8.944 -14.218 53 H ARG 72 H ARG 72 1.312 10.619 -17.413 54 HA ARG 72 HA ARG 72 -0.701 8.861 -16.167 55 1HB ARG 72 1HB ARG 72 -1.107 11.218 -18.015 56 2HB ARG 72 2HB ARG 72 -2.383 10.106 -17.542 57 1HG ARG 72 1HG ARG 72 -2.781 11.395 -15.790 58 2HG ARG 72 2HG ARG 72 -1.197 10.947 -15.152 59 1HD ARG 72 1HD ARG 72 -0.274 12.929 -15.698 60 2HD ARG 72 2HD ARG 72 -1.165 13.040 -17.215 61 HE ARG 72 HE ARG 72 -3.068 13.467 -15.333 62 1HH1 ARG 72 1HH1 ARG 72 0.047 14.906 -15.974 63 2HH1 ARG 72 2HH1 ARG 72 -0.401 16.455 -15.345 64 1HH2 ARG 72 1HH2 ARG 72 -3.658 15.505 -14.507 65 2HH2 ARG 72 2HH2 ARG 72 -2.503 16.796 -14.512 66 H LYS 73 H LYS 73 -0.083 6.947 -17.098 67 HA LYS 73 HA LYS 73 0.214 6.823 -20.002 68 1HB LYS 73 1HB LYS 73 0.667 4.747 -17.853 69 2HB LYS 73 2HB LYS 73 0.902 4.463 -19.572 70 1HG LYS 73 1HG LYS 73 2.322 6.789 -18.460 71 2HG LYS 73 2HG LYS 73 2.859 5.208 -17.887 72 1HD LYS 73 1HD LYS 73 2.686 4.700 -20.518 73 2HD LYS 73 2HD LYS 73 3.052 6.425 -20.575 74 1HE LYS 73 1HE LYS 73 5.188 6.033 -20.104 75 2HE LYS 73 2HE LYS 73 4.744 5.144 -18.649 76 1HZ LYS 73 1HZ LYS 73 4.381 3.178 -20.085 77 2HZ LYS 73 2HZ LYS 73 4.996 4.052 -21.396 78 3HZ LYS 73 3HZ LYS 73 5.987 3.711 -20.068 79 H GLU 74 H GLU 74 -1.544 5.012 -17.482 80 HA GLU 74 HA GLU 74 -3.957 5.025 -19.049 81 1HB GLU 74 1HB GLU 74 -2.208 2.979 -19.612 82 2HB GLU 74 2HB GLU 74 -3.257 2.251 -18.403 83 1HG GLU 74 1HG GLU 74 -5.069 2.266 -19.760 84 2HG GLU 74 2HG GLU 74 -4.569 3.736 -20.596 85 H GLN 75 H GLN 75 -5.286 2.917 -17.819 86 HA GLN 75 HA GLN 75 -5.765 4.059 -15.221 87 1HB GLN 75 1HB GLN 75 -7.039 1.839 -16.800 88 2HB GLN 75 2HB GLN 75 -7.481 2.140 -15.125 89 1HG GLN 75 1HG GLN 75 -8.570 4.070 -15.609 90 2HG GLN 75 2HG GLN 75 -7.524 4.449 -16.977 91 1HE2 GLN 75 1HE2 GLN 75 -8.098 3.809 -18.990 92 2HE2 GLN 75 2HE2 GLN 75 -9.578 2.997 -19.362 93 H GLY 76 H GLY 76 -4.493 1.002 -16.481 94 1HA GLY 76 1HA GLY 76 -3.974 0.088 -13.746 95 2HA GLY 76 2HA GLY 76 -3.852 -0.887 -15.201 96 H LYS 77 H LYS 77 -2.317 1.845 -13.528 97 HA LYS 77 HA LYS 77 0.289 0.760 -14.308 98 1HB LYS 77 1HB LYS 77 -0.510 3.658 -14.643 99 2HB LYS 77 2HB LYS 77 1.116 3.026 -14.858 100 1HG LYS 77 1HG LYS 77 -0.859 1.610 -16.455 101 2HG LYS 77 2HG LYS 77 -0.784 3.334 -16.821 102 1HD LYS 77 1HD LYS 77 1.630 3.159 -17.164 103 2HD LYS 77 2HD LYS 77 1.564 1.439 -16.779 104 1HE LYS 77 1HE LYS 77 0.063 2.729 -19.052 105 2HE LYS 77 2HE LYS 77 1.630 1.940 -19.220 106 1HZ LYS 77 1HZ LYS 77 -0.363 0.328 -17.901 107 2HZ LYS 77 2HZ LYS 77 -0.750 0.715 -19.501 108 3HZ LYS 77 3HZ LYS 77 0.703 -0.076 -19.149 109 H PHE 78 H PHE 78 2.085 1.780 -13.038 110 HA PHE 78 HA PHE 78 1.301 3.051 -10.552 111 1HB PHE 78 1HB PHE 78 2.066 1.381 -9.077 112 2HB PHE 78 2HB PHE 78 1.098 0.516 -10.264 113 HD1 PHE 78 HD1 PHE 78 2.650 -0.163 -12.432 114 HD2 PHE 78 HD2 PHE 78 3.949 0.289 -8.405 115 HE1 PHE 78 HE1 PHE 78 4.549 -1.660 -12.879 116 HE2 PHE 78 HE2 PHE 78 5.852 -1.205 -8.847 117 HZ PHE 78 HZ PHE 78 6.153 -2.184 -11.086 118 H TYR 79 H TYR 79 3.371 3.296 -9.118 119 HA TYR 79 HA TYR 79 5.592 4.046 -10.904 120 1HB TYR 79 1HB TYR 79 4.406 5.990 -9.931 121 2HB TYR 79 2HB TYR 79 4.767 5.384 -8.319 122 HD1 TYR 79 HD1 TYR 79 7.321 4.998 -7.814 123 HD2 TYR 79 HD2 TYR 79 5.840 7.524 -10.900 124 HE1 TYR 79 HE1 TYR 79 9.459 6.212 -7.835 125 HE2 TYR 79 HE2 TYR 79 7.973 8.746 -10.930 126 HH TYR 79 HH TYR 79 9.914 9.103 -8.993 127 H ASP 80 H ASP 80 7.628 3.440 -10.373 128 HA ASP 80 HA ASP 80 7.927 1.809 -7.937 129 1HB ASP 80 1HB ASP 80 8.168 0.586 -10.101 130 2HB ASP 80 2HB ASP 80 9.539 1.619 -10.490 131 H HIS 81 H HIS 81 9.394 2.405 -6.465 132 HA HIS 81 HA HIS 81 10.684 4.921 -6.660 133 1HB HIS 81 1HB HIS 81 9.890 3.889 -4.534 134 2HB HIS 81 2HB HIS 81 11.199 2.721 -4.655 135 HD1 HIS 81 HD1 HIS 81 10.631 6.428 -4.195 136 HD2 HIS 81 HD2 HIS 81 13.611 3.580 -3.676 137 HE1 HIS 81 HE1 HIS 81 12.482 7.608 -2.967 138 HE2 HIS 81 HE2 HIS 81 14.226 5.834 -2.567 139 H LEU 82 H LEU 82 12.114 1.657 -6.320 140 HA LEU 82 HA LEU 82 14.757 2.302 -6.653 141 1HB LEU 82 1HB LEU 82 14.997 0.000 -7.684 142 2HB LEU 82 2HB LEU 82 14.265 0.080 -6.093 143 HG LEU 82 HG LEU 82 12.227 0.205 -8.128 144 1HD1 LEU 82 1HD1 LEU 82 14.250 -1.169 -9.170 145 2HD1 LEU 82 2HD1 LEU 82 13.542 -2.449 -8.186 146 3HD1 LEU 82 3HD1 LEU 82 12.567 -1.636 -9.411 147 1HD2 LEU 82 1HD2 LEU 82 12.885 -1.339 -5.692 148 2HD2 LEU 82 2HD2 LEU 82 11.401 -0.498 -6.138 149 3HD2 LEU 82 3HD2 LEU 82 11.761 -2.080 -6.831 150 H LEU 83 H LEU 83 12.267 2.215 -9.079 151 HA LEU 83 HA LEU 83 14.224 2.542 -11.228 152 1HB LEU 83 1HB LEU 83 11.233 2.166 -11.263 153 2HB LEU 83 2HB LEU 83 12.197 2.431 -12.702 154 HG LEU 83 HG LEU 83 12.307 0.055 -10.848 155 1HD1 LEU 83 1HD1 LEU 83 10.462 0.068 -12.453 156 2HD1 LEU 83 2HD1 LEU 83 11.612 0.297 -13.771 157 3HD1 LEU 83 3HD1 LEU 83 11.639 -1.191 -12.826 158 1HD2 LEU 83 1HD2 LEU 83 14.265 1.083 -12.804 159 2HD2 LEU 83 2HD2 LEU 83 14.503 0.069 -11.381 160 3HD2 LEU 83 3HD2 LEU 83 13.911 -0.643 -12.881 161 H ARG 84 H ARG 84 11.900 4.316 -9.362 162 HA ARG 84 HA ARG 84 11.404 6.527 -9.225 163 1HB ARG 84 1HB ARG 84 13.661 7.136 -11.111 164 2HB ARG 84 2HB ARG 84 13.036 8.118 -9.793 165 1HG ARG 84 1HG ARG 84 13.926 6.454 -8.190 166 2HG ARG 84 2HG ARG 84 14.642 5.583 -9.549 167 1HD ARG 84 1HD ARG 84 16.091 7.381 -10.059 168 2HD ARG 84 2HD ARG 84 15.211 8.484 -9.004 169 HE ARG 84 HE ARG 84 16.251 6.306 -7.523 170 1HH1 ARG 84 1HH1 ARG 84 17.220 9.266 -9.097 171 2HH1 ARG 84 2HH1 ARG 84 18.585 9.517 -8.063 172 1HH2 ARG 84 1HH2 ARG 84 18.047 6.635 -6.159 173 2HH2 ARG 84 2HH2 ARG 84 19.055 8.024 -6.395 174 H ASP 85 H ASP 85 10.603 4.751 -11.612 175 HA ASP 85 HA ASP 85 9.620 6.961 -13.294 176 1HB ASP 85 1HB ASP 85 10.810 4.331 -14.066 177 2HB ASP 85 2HB ASP 85 9.547 5.017 -15.084 178 H CYS 86 H CYS 86 7.755 5.921 -14.774 179 HA CYS 86 HA CYS 86 5.839 4.782 -12.861 180 1HB CYS 86 1HB CYS 86 4.142 5.598 -14.634 181 2HB CYS 86 2HB CYS 86 4.930 6.797 -13.616 182 H ILE 87 H ILE 87 5.989 2.625 -13.035 183 HA ILE 87 HA ILE 87 6.125 1.379 -15.673 184 HB ILE 87 HB ILE 87 6.213 0.073 -12.951 185 1HG1 ILE 87 1HG1 ILE 87 8.695 -0.161 -13.594 186 2HG1 ILE 87 2HG1 ILE 87 8.378 1.121 -14.757 187 1HG2 ILE 87 1HG2 ILE 87 6.782 -0.952 -15.723 188 2HG2 ILE 87 2HG2 ILE 87 7.267 -1.796 -14.251 189 3HG2 ILE 87 3HG2 ILE 87 5.557 -1.522 -14.589 190 1HD1 ILE 87 1HD1 ILE 87 7.661 1.489 -11.885 191 2HD1 ILE 87 2HD1 ILE 87 9.322 1.713 -12.433 192 3HD1 ILE 87 3HD1 ILE 87 8.030 2.699 -13.112 193 H SER 88 H SER 88 4.707 -0.434 -16.188 194 HA SER 88 HA SER 88 1.967 0.122 -15.343 195 1HB SER 88 1HB SER 88 2.627 -1.874 -17.470 196 2HB SER 88 2HB SER 88 1.262 -0.763 -17.360 197 HG SER 88 HG SER 88 2.740 -0.092 -18.952 198 H CYS 89 H CYS 89 0.487 -1.688 -14.958 199 HA CYS 89 HA CYS 89 1.841 -3.872 -13.519 200 1HB CYS 89 1HB CYS 89 -0.619 -2.295 -12.975 201 2HB CYS 89 2HB CYS 89 -0.621 -3.990 -12.499 202 H ALA 90 H ALA 90 0.396 -3.346 -16.393 203 HA ALA 90 HA ALA 90 -1.126 -5.848 -16.429 204 1HB ALA 90 1HB ALA 90 -2.026 -3.644 -17.367 205 2HB ALA 90 2HB ALA 90 -0.917 -3.911 -18.711 206 3HB ALA 90 3HB ALA 90 -2.187 -5.086 -18.368 207 H SER 91 H SER 91 1.742 -4.338 -17.744 208 HA SER 91 HA SER 91 2.258 -6.526 -19.570 209 1HB SER 91 1HB SER 91 4.345 -5.269 -20.084 210 2HB SER 91 2HB SER 91 2.890 -4.292 -20.275 211 HG SER 91 HG SER 91 4.882 -4.163 -18.306 212 H ILE 92 H ILE 92 2.850 -5.869 -16.292 213 HA ILE 92 HA ILE 92 5.229 -7.562 -16.190 214 HB ILE 92 HB ILE 92 5.200 -6.990 -13.738 215 1HG1 ILE 92 1HG1 ILE 92 3.196 -4.882 -14.539 216 2HG1 ILE 92 2HG1 ILE 92 2.720 -6.401 -13.785 217 1HG2 ILE 92 1HG2 ILE 92 5.393 -4.788 -15.783 218 2HG2 ILE 92 2HG2 ILE 92 5.949 -4.635 -14.116 219 3HG2 ILE 92 3HG2 ILE 92 6.691 -5.824 -15.186 220 1HD1 ILE 92 1HD1 ILE 92 4.778 -5.307 -12.205 221 2HD1 ILE 92 2HD1 ILE 92 3.642 -4.006 -12.564 222 3HD1 ILE 92 3HD1 ILE 92 3.071 -5.492 -11.806 223 H CYS 93 H CYS 93 2.497 -8.607 -16.804 224 HA CYS 93 HA CYS 93 1.440 -9.976 -14.596 225 1HB CYS 93 1HB CYS 93 1.217 -10.235 -17.548 226 2HB CYS 93 2HB CYS 93 0.730 -11.626 -16.585 227 H GLY 94 H GLY 94 2.012 -11.782 -13.553 228 1HA GLY 94 1HA GLY 94 2.956 -13.950 -13.382 229 2HA GLY 94 2HA GLY 94 3.954 -13.597 -14.784 230 H GLN 95 H GLN 95 4.654 -10.923 -13.596 231 HA GLN 95 HA GLN 95 6.351 -11.774 -11.360 232 1HB GLN 95 1HB GLN 95 7.393 -10.192 -13.714 233 2HB GLN 95 2HB GLN 95 8.316 -10.744 -12.324 234 1HG GLN 95 1HG GLN 95 6.927 -12.790 -13.959 235 2HG GLN 95 2HG GLN 95 8.352 -12.011 -14.643 236 1HE2 GLN 95 1HE2 GLN 95 10.336 -12.136 -13.443 237 2HE2 GLN 95 2HE2 GLN 95 10.631 -13.486 -12.408 238 H HIS 96 H HIS 96 4.000 -10.247 -11.209 239 HA HIS 96 HA HIS 96 4.933 -7.492 -10.820 240 1HB HIS 96 1HB HIS 96 2.457 -7.038 -10.463 241 2HB HIS 96 2HB HIS 96 2.930 -7.536 -12.084 242 HD1 HIS 96 HD1 HIS 96 2.386 -10.064 -12.716 243 HD2 HIS 96 HD2 HIS 96 0.604 -8.644 -9.244 244 HE1 HIS 96 HE1 HIS 96 0.544 -11.691 -12.193 245 HE2 HIS 96 HE2 HIS 96 -0.630 -10.706 -10.196 246 HA PRO 97 HA PRO 97 5.054 -7.765 -6.429 247 1HB PRO 97 1HB PRO 97 3.891 -5.414 -5.658 248 2HB PRO 97 2HB PRO 97 5.534 -5.530 -6.297 249 1HG PRO 97 1HG PRO 97 3.007 -4.753 -7.698 250 2HG PRO 97 2HG PRO 97 4.622 -4.028 -7.816 251 1HD PRO 97 1HD PRO 97 3.675 -5.712 -9.692 252 2HD PRO 97 2HD PRO 97 5.393 -5.670 -9.248 253 H LYS 98 H LYS 98 3.623 -7.450 -4.410 254 HA LYS 98 HA LYS 98 1.311 -9.067 -4.727 255 1HB LYS 98 1HB LYS 98 2.668 -9.127 -2.691 256 2HB LYS 98 2HB LYS 98 2.243 -7.455 -2.346 257 1HG LYS 98 1HG LYS 98 -0.177 -8.862 -2.679 258 2HG LYS 98 2HG LYS 98 0.858 -9.845 -1.643 259 1HD LYS 98 1HD LYS 98 -0.340 -8.424 -0.188 260 2HD LYS 98 2HD LYS 98 1.280 -7.735 -0.302 261 1HE LYS 98 1HE LYS 98 0.556 -6.007 -1.733 262 2HE LYS 98 2HE LYS 98 -0.977 -6.814 -2.059 263 1HZ LYS 98 1HZ LYS 98 -1.189 -6.523 0.549 264 2HZ LYS 98 2HZ LYS 98 -0.174 -5.206 0.239 265 3HZ LYS 98 3HZ LYS 98 -1.674 -5.317 -0.533 266 H GLN 99 H GLN 99 1.845 -5.621 -4.466 267 HA GLN 99 HA GLN 99 -0.738 -4.780 -3.822 268 1HB GLN 99 1HB GLN 99 -0.100 -2.628 -4.853 269 2HB GLN 99 2HB GLN 99 1.146 -3.252 -3.780 270 1HG GLN 99 1HG GLN 99 2.285 -4.171 -5.829 271 2HG GLN 99 2HG GLN 99 1.132 -3.239 -6.784 272 1HE2 GLN 99 1HE2 GLN 99 3.028 -2.596 -3.851 273 2HE2 GLN 99 2HE2 GLN 99 3.741 -1.131 -4.427 274 H CYS 100 H CYS 100 0.721 -5.500 -6.963 275 HA CYS 100 HA CYS 100 -1.872 -5.060 -8.255 276 1HB CYS 100 1HB CYS 100 0.956 -5.102 -9.225 277 2HB CYS 100 2HB CYS 100 -0.331 -5.500 -10.357 278 H ALA 101 H ALA 101 -1.235 -7.392 -6.563 279 HA ALA 101 HA ALA 101 -0.825 -9.667 -8.211 280 1HB ALA 101 1HB ALA 101 -1.944 -9.359 -5.434 281 2HB ALA 101 2HB ALA 101 -1.702 -10.922 -6.214 282 3HB ALA 101 3HB ALA 101 -0.322 -9.870 -5.900 283 H TYR 102 H TYR 102 -3.519 -7.649 -7.720 284 HA TYR 102 HA TYR 102 -5.559 -9.607 -8.195 285 1HB TYR 102 1HB TYR 102 -7.042 -7.624 -8.425 286 2HB TYR 102 2HB TYR 102 -6.100 -7.609 -6.937 287 HD1 TYR 102 HD1 TYR 102 -6.107 -6.266 -10.411 288 HD2 TYR 102 HD2 TYR 102 -4.824 -5.736 -6.390 289 HE1 TYR 102 HE1 TYR 102 -5.249 -4.033 -10.986 290 HE2 TYR 102 HE2 TYR 102 -3.963 -3.502 -6.952 291 HH TYR 102 HH TYR 102 -4.339 -1.757 -8.642 292 H PHE 103 H PHE 103 -3.231 -8.428 -10.195 293 HA PHE 103 HA PHE 103 -4.931 -8.137 -12.539 294 1HB PHE 103 1HB PHE 103 -2.774 -6.745 -11.872 295 2HB PHE 103 2HB PHE 103 -1.955 -8.057 -12.712 296 HD1 PHE 103 HD1 PHE 103 -3.117 -8.671 -15.053 297 HD2 PHE 103 HD2 PHE 103 -3.301 -4.896 -13.099 298 HE1 PHE 103 HE1 PHE 103 -3.597 -7.583 -17.208 299 HE2 PHE 103 HE2 PHE 103 -3.784 -3.801 -15.248 300 HZ PHE 103 HZ PHE 103 -3.932 -5.145 -17.307 301 H CYS 104 H CYS 104 -2.016 -10.041 -11.697 302 HA CYS 104 HA CYS 104 -3.131 -12.269 -13.245 303 1HB CYS 104 1HB CYS 104 -0.519 -10.881 -13.710 304 2HB CYS 104 2HB CYS 104 -0.649 -12.604 -14.036 305 H GLU 105 H GLU 105 -3.002 -11.980 -10.413 306 HA GLU 105 HA GLU 105 -1.000 -14.041 -9.756 307 1HB GLU 105 1HB GLU 105 -1.281 -11.520 -8.602 308 2HB GLU 105 2HB GLU 105 -2.014 -12.614 -7.438 309 1HG GLU 105 1HG GLU 105 0.103 -13.999 -7.641 310 2HG GLU 105 2HG GLU 105 0.797 -12.615 -8.484 311 H ASN 106 H ASN 106 -1.844 -14.894 -7.348 312 HA ASN 106 HA ASN 106 -3.644 -16.852 -7.778 313 1HB ASN 106 1HB ASN 106 -4.086 -16.884 -5.346 314 2HB ASN 106 2HB ASN 106 -2.374 -16.693 -5.711 315 1HD2 ASN 106 1HD2 ASN 106 -1.394 -14.676 -5.382 316 2HD2 ASN 106 2HD2 ASN 106 -2.094 -13.495 -4.333 317 H LYS 107 H LYS 107 -4.432 -13.512 -6.999 318 HA LYS 107 HA LYS 107 -7.289 -14.170 -7.231 319 1HB LYS 107 1HB LYS 107 -5.783 -12.120 -5.693 320 2HB LYS 107 2HB LYS 107 -7.365 -11.660 -6.309 321 1HG LYS 107 1HG LYS 107 -7.089 -14.230 -4.832 322 2HG LYS 107 2HG LYS 107 -7.094 -12.714 -3.928 323 1HD LYS 107 1HD LYS 107 -9.344 -13.419 -3.991 324 2HD LYS 107 2HD LYS 107 -9.218 -12.136 -5.195 325 1HE LYS 107 1HE LYS 107 -9.204 -13.688 -6.983 326 2HE LYS 107 2HE LYS 107 -8.956 -15.050 -5.891 327 1HZ LYS 107 1HZ LYS 107 -11.228 -14.152 -4.929 328 2HZ LYS 107 2HZ LYS 107 -11.405 -13.589 -6.514 329 3HZ LYS 107 3HZ LYS 107 -11.175 -15.240 -6.224 330 H LEU 108 H LEU 108 -8.609 -12.286 -8.169 331 HA LEU 108 HA LEU 108 -7.457 -10.470 -9.965 332 1HB LEU 108 1HB LEU 108 -7.829 -11.480 -12.092 333 2HB LEU 108 2HB LEU 108 -6.847 -12.573 -11.138 334 HG LEU 108 HG LEU 108 -9.799 -12.995 -11.176 335 1HD1 LEU 108 1HD1 LEU 108 -8.046 -13.131 -13.513 336 2HD1 LEU 108 2HD1 LEU 108 -8.947 -14.614 -13.193 337 3HD1 LEU 108 3HD1 LEU 108 -9.806 -13.089 -13.410 338 1HD2 LEU 108 1HD2 LEU 108 -8.073 -14.279 -9.783 339 2HD2 LEU 108 2HD2 LEU 108 -9.242 -15.215 -10.713 340 3HD2 LEU 108 3HD2 LEU 108 -7.594 -15.023 -11.309 341 H ARG 109 H ARG 109 -10.234 -12.485 -9.172 342 HA ARG 109 HA ARG 109 -11.999 -10.283 -10.018 343 1HB ARG 109 1HB ARG 109 -12.254 -12.567 -11.127 344 2HB ARG 109 2HB ARG 109 -12.855 -13.139 -9.578 345 1HG ARG 109 1HG ARG 109 -14.487 -11.099 -9.814 346 2HG ARG 109 2HG ARG 109 -14.105 -11.273 -11.528 347 1HD ARG 109 1HD ARG 109 -14.624 -13.858 -10.460 348 2HD ARG 109 2HD ARG 109 -15.925 -12.780 -9.956 349 HE ARG 109 HE ARG 109 -15.605 -12.269 -12.618 350 1HH1 ARG 109 1HH1 ARG 109 -16.241 -15.129 -10.722 351 2HH1 ARG 109 2HH1 ARG 109 -17.144 -15.912 -11.976 352 1HH2 ARG 109 1HH2 ARG 109 -16.793 -13.296 -14.267 353 2HH2 ARG 109 2HH2 ARG 109 -17.457 -14.871 -13.989 Start of MODEL 10 1 1H GLY 64 1H GLY 64 -0.975 2.267 -3.018 2 2H GLY 64 2H GLY 64 0.478 1.438 -2.765 3 3H GLY 64 3H GLY 64 0.024 1.890 -4.331 4 1HA GLY 64 1HA GLY 64 0.188 4.074 -2.441 5 2HA GLY 64 2HA GLY 64 1.717 3.281 -2.785 6 H SER 65 H SER 65 0.867 5.982 -3.464 7 HA SER 65 HA SER 65 1.664 5.945 -6.230 8 1HB SER 65 1HB SER 65 -1.120 6.730 -5.415 9 2HB SER 65 2HB SER 65 -0.354 7.481 -6.816 10 HG SER 65 HG SER 65 -1.426 4.996 -6.551 11 HA PRO 66 HA PRO 66 2.941 9.542 -3.397 12 1HB PRO 66 1HB PRO 66 5.617 9.233 -4.057 13 2HB PRO 66 2HB PRO 66 4.850 8.598 -2.599 14 1HG PRO 66 1HG PRO 66 5.483 7.211 -5.165 15 2HG PRO 66 2HG PRO 66 5.600 6.607 -3.503 16 1HD PRO 66 1HD PRO 66 3.573 5.906 -5.113 17 2HD PRO 66 2HD PRO 66 3.329 6.165 -3.373 18 H TRP 67 H TRP 67 5.075 8.867 -6.159 19 HA TRP 67 HA TRP 67 4.615 11.561 -7.143 20 1HB TRP 67 1HB TRP 67 6.457 9.426 -8.235 21 2HB TRP 67 2HB TRP 67 6.464 11.134 -8.659 22 HD1 TRP 67 HD1 TRP 67 7.581 12.827 -6.928 23 HE1 TRP 67 HE1 TRP 67 9.160 12.463 -4.928 24 HE3 TRP 67 HE3 TRP 67 6.977 7.791 -6.328 25 HZ2 TRP 67 HZ2 TRP 67 10.033 10.320 -3.308 26 HZ3 TRP 67 HZ3 TRP 67 8.219 6.656 -4.532 27 HH2 TRP 67 HH2 TRP 67 9.716 7.897 -3.054 28 H SER 68 H SER 68 2.709 11.726 -8.188 29 HA SER 68 HA SER 68 2.182 9.802 -10.357 30 1HB SER 68 1HB SER 68 0.512 9.833 -8.467 31 2HB SER 68 2HB SER 68 0.120 11.491 -8.927 32 HG SER 68 HG SER 68 -0.004 9.320 -10.741 33 H LEU 69 H LEU 69 3.896 11.971 -10.751 34 HA LEU 69 HA LEU 69 2.277 13.882 -12.287 35 1HB LEU 69 1HB LEU 69 4.920 14.024 -10.933 36 2HB LEU 69 2HB LEU 69 4.701 14.987 -12.383 37 HG LEU 69 HG LEU 69 2.521 15.794 -11.146 38 1HD1 LEU 69 1HD1 LEU 69 4.261 14.756 -8.924 39 2HD1 LEU 69 2HD1 LEU 69 3.027 15.993 -8.686 40 3HD1 LEU 69 3HD1 LEU 69 2.567 14.386 -9.246 41 1HD2 LEU 69 1HD2 LEU 69 5.334 16.673 -11.006 42 2HD2 LEU 69 2HD2 LEU 69 3.902 17.529 -11.578 43 3HD2 LEU 69 3HD2 LEU 69 4.227 17.411 -9.848 44 H SER 70 H SER 70 4.775 11.462 -12.540 45 HA SER 70 HA SER 70 4.924 11.941 -15.443 46 1HB SER 70 1HB SER 70 7.102 10.879 -15.420 47 2HB SER 70 2HB SER 70 7.076 12.144 -14.192 48 HG SER 70 HG SER 70 6.896 9.345 -13.833 49 H CYS 71 H CYS 71 3.021 10.737 -15.863 50 HA CYS 71 HA CYS 71 3.515 7.905 -16.136 51 1HB CYS 71 1HB CYS 71 1.415 8.984 -14.277 52 2HB CYS 71 2HB CYS 71 1.189 7.435 -15.081 53 H ARG 72 H ARG 72 2.068 6.875 -17.600 54 HA ARG 72 HA ARG 72 1.139 8.589 -19.669 55 1HB ARG 72 1HB ARG 72 1.653 5.799 -19.325 56 2HB ARG 72 2HB ARG 72 0.039 5.988 -19.996 57 1HG ARG 72 1HG ARG 72 2.064 7.664 -21.276 58 2HG ARG 72 2HG ARG 72 2.347 5.929 -21.436 59 1HD ARG 72 1HD ARG 72 0.209 5.596 -22.437 60 2HD ARG 72 2HD ARG 72 -0.290 7.243 -22.057 61 HE ARG 72 HE ARG 72 2.029 7.134 -23.736 62 1HH1 ARG 72 1HH1 ARG 72 -1.459 7.024 -23.707 63 2HH1 ARG 72 2HH1 ARG 72 -1.615 7.577 -25.341 64 1HH2 ARG 72 1HH2 ARG 72 1.827 7.860 -25.884 65 2HH2 ARG 72 2HH2 ARG 72 0.252 8.052 -26.577 66 H LYS 73 H LYS 73 -1.096 8.347 -20.611 67 HA LYS 73 HA LYS 73 -3.011 9.137 -18.666 68 1HB LYS 73 1HB LYS 73 -3.277 8.490 -21.603 69 2HB LYS 73 2HB LYS 73 -4.598 9.105 -20.619 70 1HG LYS 73 1HG LYS 73 -3.585 11.184 -20.342 71 2HG LYS 73 2HG LYS 73 -1.997 10.575 -20.813 72 1HD LYS 73 1HD LYS 73 -2.634 10.417 -23.091 73 2HD LYS 73 2HD LYS 73 -4.339 10.659 -22.702 74 1HE LYS 73 1HE LYS 73 -3.642 12.940 -21.809 75 2HE LYS 73 2HE LYS 73 -2.100 12.663 -22.619 76 1HZ LYS 73 1HZ LYS 73 -4.478 12.238 -24.232 77 2HZ LYS 73 2HZ LYS 73 -4.173 13.842 -23.783 78 3HZ LYS 73 3HZ LYS 73 -3.008 12.967 -24.641 79 H GLU 74 H GLU 74 -2.066 6.086 -19.897 80 HA GLU 74 HA GLU 74 -4.378 4.583 -19.859 81 1HB GLU 74 1HB GLU 74 -1.520 3.960 -19.224 82 2HB GLU 74 2HB GLU 74 -2.749 2.734 -18.945 83 1HG GLU 74 1HG GLU 74 -3.450 3.034 -21.334 84 2HG GLU 74 2HG GLU 74 -2.025 4.049 -21.549 85 H GLN 75 H GLN 75 -5.291 3.167 -18.255 86 HA GLN 75 HA GLN 75 -5.402 4.441 -15.647 87 1HB GLN 75 1HB GLN 75 -7.339 3.365 -17.189 88 2HB GLN 75 2HB GLN 75 -6.972 1.983 -16.164 89 1HG GLN 75 1HG GLN 75 -7.163 4.246 -14.485 90 2HG GLN 75 2HG GLN 75 -8.544 4.281 -15.582 91 1HE2 GLN 75 1HE2 GLN 75 -10.020 2.567 -15.554 92 2HE2 GLN 75 2HE2 GLN 75 -10.131 1.486 -14.210 93 H GLY 76 H GLY 76 -4.360 1.408 -17.091 94 1HA GLY 76 1HA GLY 76 -3.729 0.255 -14.498 95 2HA GLY 76 2HA GLY 76 -3.511 -0.514 -16.062 96 H LYS 77 H LYS 77 -2.250 2.286 -14.249 97 HA LYS 77 HA LYS 77 0.463 1.357 -14.805 98 1HB LYS 77 1HB LYS 77 -0.779 3.692 -16.019 99 2HB LYS 77 2HB LYS 77 0.670 4.115 -15.119 100 1HG LYS 77 1HG LYS 77 1.770 2.172 -16.405 101 2HG LYS 77 2HG LYS 77 0.384 2.312 -17.487 102 1HD LYS 77 1HD LYS 77 0.924 4.693 -17.826 103 2HD LYS 77 2HD LYS 77 2.343 4.500 -16.796 104 1HE LYS 77 1HE LYS 77 2.866 2.542 -18.490 105 2HE LYS 77 2HE LYS 77 1.838 3.502 -19.553 106 1HZ LYS 77 1HZ LYS 77 3.537 5.326 -18.448 107 2HZ LYS 77 2HZ LYS 77 4.530 3.980 -18.705 108 3HZ LYS 77 3HZ LYS 77 3.670 4.657 -19.996 109 H PHE 78 H PHE 78 1.912 1.810 -13.205 110 HA PHE 78 HA PHE 78 1.008 3.532 -11.002 111 1HB PHE 78 1HB PHE 78 1.774 1.935 -9.358 112 2HB PHE 78 2HB PHE 78 0.637 1.135 -10.436 113 HD1 PHE 78 HD1 PHE 78 4.188 1.464 -9.531 114 HD2 PHE 78 HD2 PHE 78 1.309 -0.682 -11.816 115 HE1 PHE 78 HE1 PHE 78 5.854 -0.290 -9.978 116 HE2 PHE 78 HE2 PHE 78 2.973 -2.438 -12.266 117 HZ PHE 78 HZ PHE 78 5.248 -2.242 -11.348 118 H TYR 79 H TYR 79 2.920 3.874 -9.412 119 HA TYR 79 HA TYR 79 5.331 4.419 -11.016 120 1HB TYR 79 1HB TYR 79 4.038 6.432 -10.219 121 2HB TYR 79 2HB TYR 79 4.426 5.947 -8.571 122 HD1 TYR 79 HD1 TYR 79 7.026 5.523 -8.161 123 HD2 TYR 79 HD2 TYR 79 5.414 7.976 -11.240 124 HE1 TYR 79 HE1 TYR 79 9.163 6.728 -8.309 125 HE2 TYR 79 HE2 TYR 79 7.547 9.190 -11.396 126 HH TYR 79 HH TYR 79 10.031 8.628 -10.835 127 H ASP 80 H ASP 80 7.009 3.210 -10.487 128 HA ASP 80 HA ASP 80 7.083 1.929 -7.862 129 1HB ASP 80 1HB ASP 80 7.503 0.785 -10.191 130 2HB ASP 80 2HB ASP 80 9.128 1.427 -9.992 131 H HIS 81 H HIS 81 8.153 2.864 -6.269 132 HA HIS 81 HA HIS 81 9.812 5.104 -6.552 133 1HB HIS 81 1HB HIS 81 10.426 4.670 -4.165 134 2HB HIS 81 2HB HIS 81 8.691 4.697 -4.464 135 HD1 HIS 81 HD1 HIS 81 11.500 2.348 -3.628 136 HD2 HIS 81 HD2 HIS 81 7.357 2.314 -3.957 137 HE1 HIS 81 HE1 HIS 81 10.766 0.154 -2.645 138 HE2 HIS 81 HE2 HIS 81 8.262 0.123 -2.920 139 H LEU 82 H LEU 82 10.651 1.705 -5.914 140 HA LEU 82 HA LEU 82 13.408 2.001 -5.733 141 1HB LEU 82 1HB LEU 82 13.544 -0.378 -6.333 142 2HB LEU 82 2HB LEU 82 12.319 -0.059 -5.120 143 HG LEU 82 HG LEU 82 11.259 -0.025 -7.845 144 1HD1 LEU 82 1HD1 LEU 82 13.189 -1.854 -7.651 145 2HD1 LEU 82 2HD1 LEU 82 11.870 -2.765 -6.915 146 3HD1 LEU 82 3HD1 LEU 82 11.698 -2.130 -8.552 147 1HD2 LEU 82 1HD2 LEU 82 10.566 -1.295 -5.218 148 2HD2 LEU 82 2HD2 LEU 82 9.704 -0.037 -6.101 149 3HD2 LEU 82 3HD2 LEU 82 9.696 -1.696 -6.698 150 H LEU 83 H LEU 83 11.370 2.204 -8.509 151 HA LEU 83 HA LEU 83 13.688 1.985 -10.300 152 1HB LEU 83 1HB LEU 83 10.730 1.965 -10.889 153 2HB LEU 83 2HB LEU 83 11.981 1.909 -12.113 154 HG LEU 83 HG LEU 83 11.459 -0.187 -10.004 155 1HD1 LEU 83 1HD1 LEU 83 10.678 0.147 -12.835 156 2HD1 LEU 83 2HD1 LEU 83 11.205 -1.461 -12.336 157 3HD1 LEU 83 3HD1 LEU 83 9.852 -0.682 -11.516 158 1HD2 LEU 83 1HD2 LEU 83 13.531 -0.094 -12.194 159 2HD2 LEU 83 2HD2 LEU 83 13.837 -0.012 -10.459 160 3HD2 LEU 83 3HD2 LEU 83 13.185 -1.488 -11.171 161 H ARG 84 H ARG 84 11.349 4.206 -9.031 162 HA ARG 84 HA ARG 84 11.230 6.480 -9.125 163 1HB ARG 84 1HB ARG 84 13.873 6.039 -9.510 164 2HB ARG 84 2HB ARG 84 13.467 6.828 -11.027 165 1HG ARG 84 1HG ARG 84 13.105 8.830 -10.048 166 2HG ARG 84 2HG ARG 84 12.453 8.114 -8.572 167 1HD ARG 84 1HD ARG 84 15.365 7.928 -9.280 168 2HD ARG 84 2HD ARG 84 14.705 9.314 -8.413 169 HE ARG 84 HE ARG 84 13.830 7.228 -6.950 170 1HH1 ARG 84 1HH1 ARG 84 16.989 8.100 -8.150 171 2HH1 ARG 84 2HH1 ARG 84 17.832 7.355 -6.835 172 1HH2 ARG 84 1HH2 ARG 84 14.937 6.247 -5.219 173 2HH2 ARG 84 2HH2 ARG 84 16.668 6.302 -5.172 174 H ASP 85 H ASP 85 10.484 4.452 -11.445 175 HA ASP 85 HA ASP 85 9.659 6.566 -13.322 176 1HB ASP 85 1HB ASP 85 10.877 3.901 -13.817 177 2HB ASP 85 2HB ASP 85 9.595 4.404 -14.914 178 H CYS 86 H CYS 86 7.830 5.468 -14.820 179 HA CYS 86 HA CYS 86 5.777 4.568 -12.923 180 1HB CYS 86 1HB CYS 86 5.480 6.698 -14.300 181 2HB CYS 86 2HB CYS 86 5.287 5.644 -15.695 182 H ILE 87 H ILE 87 5.647 2.423 -12.887 183 HA ILE 87 HA ILE 87 5.871 0.938 -15.413 184 HB ILE 87 HB ILE 87 6.024 -0.141 -12.597 185 1HG1 ILE 87 1HG1 ILE 87 8.495 -0.412 -13.246 186 2HG1 ILE 87 2HG1 ILE 87 8.160 0.749 -14.526 187 1HG2 ILE 87 1HG2 ILE 87 6.357 -1.356 -15.310 188 2HG2 ILE 87 2HG2 ILE 87 7.174 -2.046 -13.908 189 3HG2 ILE 87 3HG2 ILE 87 5.414 -1.933 -13.937 190 1HD1 ILE 87 1HD1 ILE 87 7.223 1.652 -11.936 191 2HD1 ILE 87 2HD1 ILE 87 8.957 1.332 -11.966 192 3HD1 ILE 87 3HD1 ILE 87 8.248 2.462 -13.119 193 H SER 88 H SER 88 4.387 -0.747 -15.881 194 HA SER 88 HA SER 88 1.720 -0.272 -14.756 195 1HB SER 88 1HB SER 88 2.746 -1.125 -17.402 196 2HB SER 88 2HB SER 88 1.246 -1.887 -16.872 197 HG SER 88 HG SER 88 0.245 -0.086 -17.250 198 H CYS 89 H CYS 89 0.291 -2.240 -14.602 199 HA CYS 89 HA CYS 89 1.792 -4.372 -13.267 200 1HB CYS 89 1HB CYS 89 -1.080 -3.477 -13.146 201 2HB CYS 89 2HB CYS 89 -0.584 -5.042 -12.513 202 H ALA 90 H ALA 90 -0.604 -3.855 -15.807 203 HA ALA 90 HA ALA 90 -1.093 -6.556 -16.422 204 1HB ALA 90 1HB ALA 90 -2.085 -4.159 -17.283 205 2HB ALA 90 2HB ALA 90 -1.205 -4.727 -18.702 206 3HB ALA 90 3HB ALA 90 -2.467 -5.730 -17.987 207 H SER 91 H SER 91 1.371 -4.295 -17.516 208 HA SER 91 HA SER 91 2.412 -5.937 -19.583 209 1HB SER 91 1HB SER 91 3.362 -3.498 -18.130 210 2HB SER 91 2HB SER 91 4.490 -4.384 -19.156 211 HG SER 91 HG SER 91 3.569 -2.988 -20.528 212 H ILE 92 H ILE 92 2.589 -6.229 -16.218 213 HA ILE 92 HA ILE 92 4.929 -8.001 -16.476 214 HB ILE 92 HB ILE 92 5.343 -7.495 -14.021 215 1HG1 ILE 92 1HG1 ILE 92 3.590 -5.118 -14.678 216 2HG1 ILE 92 2HG1 ILE 92 3.159 -6.427 -13.583 217 1HG2 ILE 92 1HG2 ILE 92 6.467 -6.504 -16.192 218 2HG2 ILE 92 2HG2 ILE 92 5.759 -5.005 -15.588 219 3HG2 ILE 92 3HG2 ILE 92 6.889 -5.913 -14.585 220 1HD1 ILE 92 1HD1 ILE 92 5.589 -5.532 -12.622 221 2HD1 ILE 92 2HD1 ILE 92 4.746 -4.061 -13.105 222 3HD1 ILE 92 3HD1 ILE 92 3.996 -5.173 -11.960 223 H CYS 93 H CYS 93 1.955 -8.504 -16.588 224 HA CYS 93 HA CYS 93 1.140 -9.789 -14.220 225 1HB CYS 93 1HB CYS 93 0.214 -9.753 -17.035 226 2HB CYS 93 2HB CYS 93 -0.300 -11.123 -16.054 227 H GLY 94 H GLY 94 1.951 -11.516 -13.286 228 1HA GLY 94 1HA GLY 94 2.252 -13.958 -13.531 229 2HA GLY 94 2HA GLY 94 3.154 -13.602 -14.997 230 H GLN 95 H GLN 95 4.610 -11.380 -13.970 231 HA GLN 95 HA GLN 95 6.191 -12.528 -11.786 232 1HB GLN 95 1HB GLN 95 7.352 -11.531 -14.397 233 2HB GLN 95 2HB GLN 95 8.285 -12.017 -12.988 234 1HG GLN 95 1HG GLN 95 6.417 -14.065 -13.859 235 2HG GLN 95 2HG GLN 95 7.578 -13.617 -15.107 236 1HE2 GLN 95 1HE2 GLN 95 7.092 -15.162 -12.076 237 2HE2 GLN 95 2HE2 GLN 95 8.697 -15.767 -11.877 238 H HIS 96 H HIS 96 4.580 -10.641 -11.109 239 HA HIS 96 HA HIS 96 6.155 -8.149 -11.128 240 1HB HIS 96 1HB HIS 96 3.932 -6.982 -10.822 241 2HB HIS 96 2HB HIS 96 4.185 -7.723 -12.399 242 HD1 HIS 96 HD1 HIS 96 1.896 -8.400 -13.089 243 HD2 HIS 96 HD2 HIS 96 2.745 -9.506 -9.176 244 HE1 HIS 96 HE1 HIS 96 -0.051 -9.809 -12.351 245 HE2 HIS 96 HE2 HIS 96 0.453 -10.414 -9.958 246 HA PRO 97 HA PRO 97 6.277 -7.994 -6.735 247 1HB PRO 97 1HB PRO 97 4.850 -5.385 -6.790 248 2HB PRO 97 2HB PRO 97 6.416 -5.796 -6.083 249 1HG PRO 97 1HG PRO 97 6.274 -4.394 -8.340 250 2HG PRO 97 2HG PRO 97 7.524 -5.632 -8.116 251 1HD PRO 97 1HD PRO 97 4.991 -5.759 -9.702 252 2HD PRO 97 2HD PRO 97 6.598 -6.414 -10.086 253 H LYS 98 H LYS 98 4.799 -7.341 -4.752 254 HA LYS 98 HA LYS 98 2.437 -8.939 -4.982 255 1HB LYS 98 1HB LYS 98 2.108 -8.301 -2.579 256 2HB LYS 98 2HB LYS 98 3.659 -9.050 -2.931 257 1HG LYS 98 1HG LYS 98 4.687 -7.330 -2.000 258 2HG LYS 98 2HG LYS 98 3.999 -6.263 -3.226 259 1HD LYS 98 1HD LYS 98 2.200 -7.029 -1.012 260 2HD LYS 98 2HD LYS 98 3.557 -5.986 -0.582 261 1HE LYS 98 1HE LYS 98 2.263 -5.111 -3.020 262 2HE LYS 98 2HE LYS 98 1.125 -5.200 -1.676 263 1HZ LYS 98 1HZ LYS 98 3.172 -3.991 -0.496 264 2HZ LYS 98 2HZ LYS 98 3.390 -3.424 -2.074 265 3HZ LYS 98 3HZ LYS 98 1.926 -3.150 -1.273 266 H GLN 99 H GLN 99 3.112 -5.613 -5.406 267 HA GLN 99 HA GLN 99 0.559 -4.583 -4.658 268 1HB GLN 99 1HB GLN 99 1.288 -2.517 -5.678 269 2HB GLN 99 2HB GLN 99 2.610 -3.198 -4.740 270 1HG GLN 99 1HG GLN 99 3.233 -4.255 -7.087 271 2HG GLN 99 2HG GLN 99 2.332 -2.856 -7.670 272 1HE2 GLN 99 1HE2 GLN 99 3.012 -1.052 -5.638 273 2HE2 GLN 99 2HE2 GLN 99 4.691 -0.668 -5.790 274 H CYS 100 H CYS 100 1.917 -5.928 -7.579 275 HA CYS 100 HA CYS 100 -0.424 -5.148 -9.144 276 1HB CYS 100 1HB CYS 100 2.185 -6.476 -9.869 277 2HB CYS 100 2HB CYS 100 0.853 -6.328 -11.008 278 H ALA 101 H ALA 101 -0.470 -7.164 -6.915 279 HA ALA 101 HA ALA 101 -0.864 -9.713 -8.158 280 1HB ALA 101 1HB ALA 101 -1.235 -8.626 -5.400 281 2HB ALA 101 2HB ALA 101 -1.931 -10.189 -5.830 282 3HB ALA 101 3HB ALA 101 -0.191 -9.933 -5.962 283 H TYR 102 H TYR 102 -2.833 -6.947 -7.507 284 HA TYR 102 HA TYR 102 -5.362 -8.233 -7.542 285 1HB TYR 102 1HB TYR 102 -6.271 -5.969 -7.882 286 2HB TYR 102 2HB TYR 102 -5.078 -6.004 -6.588 287 HD1 TYR 102 HD1 TYR 102 -5.479 -5.186 -10.196 288 HD2 TYR 102 HD2 TYR 102 -3.257 -4.538 -6.625 289 HE1 TYR 102 HE1 TYR 102 -4.232 -3.381 -11.307 290 HE2 TYR 102 HE2 TYR 102 -2.004 -2.731 -7.727 291 HH TYR 102 HH TYR 102 -2.956 -1.341 -10.638 292 H PHE 103 H PHE 103 -3.123 -7.443 -10.016 293 HA PHE 103 HA PHE 103 -5.125 -7.399 -12.119 294 1HB PHE 103 1HB PHE 103 -2.816 -6.098 -11.962 295 2HB PHE 103 2HB PHE 103 -2.206 -7.568 -12.715 296 HD1 PHE 103 HD1 PHE 103 -4.328 -8.323 -14.535 297 HD2 PHE 103 HD2 PHE 103 -2.824 -4.461 -13.574 298 HE1 PHE 103 HE1 PHE 103 -5.065 -7.496 -16.731 299 HE2 PHE 103 HE2 PHE 103 -3.560 -3.625 -15.768 300 HZ PHE 103 HZ PHE 103 -4.682 -5.143 -17.350 301 H CYS 104 H CYS 104 -2.246 -9.373 -11.377 302 HA CYS 104 HA CYS 104 -3.675 -11.764 -12.217 303 1HB CYS 104 1HB CYS 104 -0.985 -11.142 -13.437 304 2HB CYS 104 2HB CYS 104 -2.066 -12.469 -13.835 305 H GLU 105 H GLU 105 -3.486 -12.765 -10.270 306 HA GLU 105 HA GLU 105 -0.935 -13.836 -9.554 307 1HB GLU 105 1HB GLU 105 -1.768 -11.389 -8.302 308 2HB GLU 105 2HB GLU 105 -1.711 -12.671 -7.102 309 1HG GLU 105 1HG GLU 105 0.597 -12.523 -8.919 310 2HG GLU 105 2HG GLU 105 0.404 -11.169 -7.807 311 H ASN 106 H ASN 106 -1.307 -14.722 -7.064 312 HA ASN 106 HA ASN 106 -2.898 -16.939 -7.276 313 1HB ASN 106 1HB ASN 106 -2.874 -16.935 -4.721 314 2HB ASN 106 2HB ASN 106 -1.308 -16.890 -5.525 315 1HD2 ASN 106 1HD2 ASN 106 -0.086 -15.007 -5.465 316 2HD2 ASN 106 2HD2 ASN 106 -0.414 -13.734 -4.344 317 H LYS 107 H LYS 107 -3.803 -13.764 -6.017 318 HA LYS 107 HA LYS 107 -6.579 -14.704 -5.756 319 1HB LYS 107 1HB LYS 107 -4.966 -12.642 -4.341 320 2HB LYS 107 2HB LYS 107 -6.681 -12.322 -4.555 321 1HG LYS 107 1HG LYS 107 -5.895 -14.978 -3.497 322 2HG LYS 107 2HG LYS 107 -5.740 -13.579 -2.431 323 1HD LYS 107 1HD LYS 107 -7.908 -14.548 -2.094 324 2HD LYS 107 2HD LYS 107 -8.113 -13.013 -2.940 325 1HE LYS 107 1HE LYS 107 -8.459 -14.123 -5.024 326 2HE LYS 107 2HE LYS 107 -8.000 -15.680 -4.334 327 1HZ LYS 107 1HZ LYS 107 -10.372 -14.108 -3.490 328 2HZ LYS 107 2HZ LYS 107 -10.419 -15.393 -4.588 329 3HZ LYS 107 3HZ LYS 107 -9.961 -15.668 -2.983 330 H LEU 108 H LEU 108 -8.084 -13.983 -7.117 331 HA LEU 108 HA LEU 108 -7.958 -11.393 -8.332 332 1HB LEU 108 1HB LEU 108 -6.613 -13.432 -9.670 333 2HB LEU 108 2HB LEU 108 -8.151 -13.312 -10.504 334 HG LEU 108 HG LEU 108 -6.478 -11.926 -11.590 335 1HD1 LEU 108 1HD1 LEU 108 -8.915 -11.216 -11.371 336 2HD1 LEU 108 2HD1 LEU 108 -8.349 -10.064 -10.161 337 3HD1 LEU 108 3HD1 LEU 108 -7.748 -9.970 -11.817 338 1HD2 LEU 108 1HD2 LEU 108 -6.269 -10.531 -8.926 339 2HD2 LEU 108 2HD2 LEU 108 -5.019 -11.501 -9.705 340 3HD2 LEU 108 3HD2 LEU 108 -5.531 -9.977 -10.427 341 H ARG 109 H ARG 109 -9.976 -10.696 -8.489 342 HA ARG 109 HA ARG 109 -12.148 -12.665 -8.502 343 1HB ARG 109 1HB ARG 109 -11.961 -10.818 -6.735 344 2HB ARG 109 2HB ARG 109 -12.433 -9.707 -8.012 345 1HG ARG 109 1HG ARG 109 -14.527 -10.120 -7.394 346 2HG ARG 109 2HG ARG 109 -14.335 -11.682 -8.191 347 1HD ARG 109 1HD ARG 109 -14.595 -12.718 -6.245 348 2HD ARG 109 2HD ARG 109 -13.197 -11.865 -5.592 349 HE ARG 109 HE ARG 109 -15.972 -11.282 -5.106 350 1HH1 ARG 109 1HH1 ARG 109 -12.730 -9.991 -5.112 351 2HH1 ARG 109 2HH1 ARG 109 -13.096 -8.731 -3.982 352 1HH2 ARG 109 1HH2 ARG 109 -16.455 -9.624 -3.620 353 2HH2 ARG 109 2HH2 ARG 109 -15.209 -8.523 -3.134 Start of MODEL 11 1 1H GLY 64 1H GLY 64 12.359 18.015 -2.844 2 2H GLY 64 2H GLY 64 12.869 16.430 -2.545 3 3H GLY 64 3H GLY 64 11.218 16.788 -2.616 4 1HA GLY 64 1HA GLY 64 11.990 17.664 -5.013 5 2HA GLY 64 2HA GLY 64 13.117 16.339 -4.761 6 H SER 65 H SER 65 9.854 17.235 -5.417 7 HA SER 65 HA SER 65 8.495 14.862 -4.917 8 1HB SER 65 1HB SER 65 7.961 16.698 -7.257 9 2HB SER 65 2HB SER 65 6.805 15.659 -6.424 10 HG SER 65 HG SER 65 7.279 16.974 -4.520 11 HA PRO 66 HA PRO 66 10.768 12.326 -7.906 12 1HB PRO 66 1HB PRO 66 9.589 9.977 -7.181 13 2HB PRO 66 2HB PRO 66 10.944 10.696 -6.305 14 1HG PRO 66 1HG PRO 66 8.017 10.803 -5.683 15 2HG PRO 66 2HG PRO 66 9.386 10.538 -4.585 16 1HD PRO 66 1HD PRO 66 8.166 12.930 -4.799 17 2HD PRO 66 2HD PRO 66 9.910 12.785 -4.498 18 H TRP 67 H TRP 67 7.277 12.218 -7.322 19 HA TRP 67 HA TRP 67 6.890 11.797 -10.208 20 1HB TRP 67 1HB TRP 67 4.776 10.510 -9.524 21 2HB TRP 67 2HB TRP 67 6.322 9.690 -9.328 22 HD1 TRP 67 HD1 TRP 67 3.579 11.410 -7.244 23 HE1 TRP 67 HE1 TRP 67 3.733 10.536 -4.827 24 HE3 TRP 67 HE3 TRP 67 7.849 8.627 -7.656 25 HZ2 TRP 67 HZ2 TRP 67 5.438 8.886 -3.299 26 HZ3 TRP 67 HZ3 TRP 67 8.674 7.432 -5.670 27 HH2 TRP 67 HH2 TRP 67 7.493 7.561 -3.536 28 H SER 68 H SER 68 5.424 13.085 -11.173 29 HA SER 68 HA SER 68 3.348 14.417 -9.707 30 1HB SER 68 1HB SER 68 5.878 15.811 -10.326 31 2HB SER 68 2HB SER 68 4.410 16.686 -10.763 32 HG SER 68 HG SER 68 4.742 17.229 -8.686 33 H LEU 69 H LEU 69 4.914 15.837 -12.521 34 HA LEU 69 HA LEU 69 2.562 15.073 -14.110 35 1HB LEU 69 1HB LEU 69 3.967 17.541 -13.764 36 2HB LEU 69 2HB LEU 69 4.085 17.058 -15.445 37 HG LEU 69 HG LEU 69 1.484 17.292 -13.934 38 1HD1 LEU 69 1HD1 LEU 69 3.063 19.260 -15.515 39 2HD1 LEU 69 2HD1 LEU 69 1.303 19.293 -15.619 40 3HD1 LEU 69 3HD1 LEU 69 2.098 19.495 -14.057 41 1HD2 LEU 69 1HD2 LEU 69 2.198 16.733 -16.796 42 2HD2 LEU 69 2HD2 LEU 69 1.165 15.798 -15.715 43 3HD2 LEU 69 3HD2 LEU 69 0.615 17.358 -16.330 44 H SER 70 H SER 70 5.163 13.561 -13.609 45 HA SER 70 HA SER 70 6.416 13.499 -16.211 46 1HB SER 70 1HB SER 70 7.936 11.909 -15.266 47 2HB SER 70 2HB SER 70 7.649 13.135 -14.031 48 HG SER 70 HG SER 70 7.077 10.468 -14.006 49 H CYS 71 H CYS 71 4.028 11.672 -14.438 50 HA CYS 71 HA CYS 71 3.617 10.006 -16.826 51 1HB CYS 71 1HB CYS 71 3.540 9.067 -13.951 52 2HB CYS 71 2HB CYS 71 3.051 8.099 -15.338 53 H ARG 72 H ARG 72 1.400 8.673 -16.259 54 HA ARG 72 HA ARG 72 -0.578 10.802 -15.903 55 1HB ARG 72 1HB ARG 72 -0.861 8.029 -17.076 56 2HB ARG 72 2HB ARG 72 -2.151 9.221 -16.977 57 1HG ARG 72 1HG ARG 72 -1.496 10.177 -18.862 58 2HG ARG 72 2HG ARG 72 0.151 10.362 -18.258 59 1HD ARG 72 1HD ARG 72 -0.919 7.782 -19.385 60 2HD ARG 72 2HD ARG 72 -0.098 8.997 -20.364 61 HE ARG 72 HE ARG 72 1.551 8.420 -18.201 62 1HH1 ARG 72 1HH1 ARG 72 0.251 6.777 -20.992 63 2HH1 ARG 72 2HH1 ARG 72 1.588 5.686 -21.127 64 1HH2 ARG 72 1HH2 ARG 72 3.310 6.987 -18.377 65 2HH2 ARG 72 2HH2 ARG 72 3.324 5.804 -19.642 66 H LYS 73 H LYS 73 -2.694 10.085 -14.897 67 HA LYS 73 HA LYS 73 -2.085 8.850 -12.333 68 1HB LYS 73 1HB LYS 73 -3.527 11.041 -12.913 69 2HB LYS 73 2HB LYS 73 -4.816 9.846 -12.917 70 1HG LYS 73 1HG LYS 73 -4.330 9.220 -10.659 71 2HG LYS 73 2HG LYS 73 -2.887 10.235 -10.641 72 1HD LYS 73 1HD LYS 73 -4.648 12.110 -11.275 73 2HD LYS 73 2HD LYS 73 -5.757 10.997 -10.470 74 1HE LYS 73 1HE LYS 73 -4.721 11.232 -8.426 75 2HE LYS 73 2HE LYS 73 -3.180 11.702 -9.143 76 1HZ LYS 73 1HZ LYS 73 -5.402 13.519 -9.597 77 2HZ LYS 73 2HZ LYS 73 -4.848 13.422 -8.001 78 3HZ LYS 73 3HZ LYS 73 -3.782 13.854 -9.242 79 H GLU 74 H GLU 74 -2.790 7.552 -15.159 80 HA GLU 74 HA GLU 74 -5.100 6.050 -14.927 81 1HB GLU 74 1HB GLU 74 -2.472 5.534 -16.287 82 2HB GLU 74 2HB GLU 74 -3.754 4.332 -16.329 83 1HG GLU 74 1HG GLU 74 -4.103 7.175 -17.240 84 2HG GLU 74 2HG GLU 74 -3.653 5.847 -18.308 85 H GLN 75 H GLN 75 -5.732 4.380 -13.719 86 HA GLN 75 HA GLN 75 -4.055 3.444 -11.594 87 1HB GLN 75 1HB GLN 75 -6.878 3.198 -12.375 88 2HB GLN 75 2HB GLN 75 -6.229 1.780 -11.563 89 1HG GLN 75 1HG GLN 75 -5.634 3.057 -9.644 90 2HG GLN 75 2HG GLN 75 -6.009 4.570 -10.467 91 1HE2 GLN 75 1HE2 GLN 75 -8.211 5.041 -10.943 92 2HE2 GLN 75 2HE2 GLN 75 -9.479 4.348 -9.997 93 H GLY 76 H GLY 76 -4.845 2.343 -14.775 94 1HA GLY 76 1HA GLY 76 -4.485 -0.393 -14.602 95 2HA GLY 76 2HA GLY 76 -4.056 0.572 -16.004 96 H LYS 77 H LYS 77 -2.104 2.106 -14.270 97 HA LYS 77 HA LYS 77 0.003 0.045 -14.209 98 1HB LYS 77 1HB LYS 77 0.421 2.980 -14.772 99 2HB LYS 77 2HB LYS 77 1.593 1.681 -14.944 100 1HG LYS 77 1HG LYS 77 0.280 0.734 -16.773 101 2HG LYS 77 2HG LYS 77 -0.899 2.036 -16.598 102 1HD LYS 77 1HD LYS 77 0.790 3.680 -17.172 103 2HD LYS 77 2HD LYS 77 2.022 2.419 -17.255 104 1HE LYS 77 1HE LYS 77 1.445 1.864 -19.337 105 2HE LYS 77 2HE LYS 77 -0.269 1.818 -18.929 106 1HZ LYS 77 1HZ LYS 77 -0.305 4.254 -19.139 107 2HZ LYS 77 2HZ LYS 77 1.311 4.231 -19.635 108 3HZ LYS 77 3HZ LYS 77 0.126 3.490 -20.587 109 H PHE 78 H PHE 78 1.911 0.748 -12.816 110 HA PHE 78 HA PHE 78 0.991 2.182 -10.421 111 1HB PHE 78 1HB PHE 78 1.796 0.523 -8.955 112 2HB PHE 78 2HB PHE 78 0.952 -0.377 -10.210 113 HD1 PHE 78 HD1 PHE 78 2.543 -1.052 -12.259 114 HD2 PHE 78 HD2 PHE 78 3.827 -0.278 -8.277 115 HE1 PHE 78 HE1 PHE 78 4.570 -2.388 -12.658 116 HE2 PHE 78 HE2 PHE 78 5.855 -1.614 -8.667 117 HZ PHE 78 HZ PHE 78 6.227 -2.671 -10.859 118 H TYR 79 H TYR 79 2.987 2.554 -8.910 119 HA TYR 79 HA TYR 79 5.219 3.453 -10.612 120 1HB TYR 79 1HB TYR 79 3.707 5.219 -9.497 121 2HB TYR 79 2HB TYR 79 4.488 4.740 -7.993 122 HD1 TYR 79 HD1 TYR 79 7.073 4.839 -7.947 123 HD2 TYR 79 HD2 TYR 79 4.694 6.831 -10.858 124 HE1 TYR 79 HE1 TYR 79 8.948 6.352 -8.435 125 HE2 TYR 79 HE2 TYR 79 6.563 8.349 -11.354 126 HH TYR 79 HH TYR 79 9.348 8.544 -9.380 127 H ASP 80 H ASP 80 7.246 2.899 -10.058 128 HA ASP 80 HA ASP 80 7.591 1.367 -7.564 129 1HB ASP 80 1HB ASP 80 7.831 0.148 -9.806 130 2HB ASP 80 2HB ASP 80 9.314 1.068 -10.023 131 H HIS 81 H HIS 81 8.617 2.546 -6.097 132 HA HIS 81 HA HIS 81 10.026 4.890 -6.542 133 1HB HIS 81 1HB HIS 81 10.877 4.634 -4.244 134 2HB HIS 81 2HB HIS 81 9.152 4.300 -4.352 135 HD1 HIS 81 HD1 HIS 81 12.196 2.959 -2.999 136 HD2 HIS 81 HD2 HIS 81 8.659 1.357 -4.477 137 HE1 HIS 81 HE1 HIS 81 12.100 0.608 -2.111 138 HE2 HIS 81 HE2 HIS 81 9.914 -0.317 -2.955 139 H LEU 82 H LEU 82 11.375 1.628 -5.981 140 HA LEU 82 HA LEU 82 14.063 2.295 -6.100 141 1HB LEU 82 1HB LEU 82 14.310 -0.102 -7.043 142 2HB LEU 82 2HB LEU 82 13.687 0.127 -5.421 143 HG LEU 82 HG LEU 82 11.505 0.099 -7.290 144 1HD1 LEU 82 1HD1 LEU 82 13.622 -1.919 -7.702 145 2HD1 LEU 82 2HD1 LEU 82 11.962 -2.510 -7.636 146 3HD1 LEU 82 3HD1 LEU 82 12.418 -1.289 -8.825 147 1HD2 LEU 82 1HD2 LEU 82 11.669 -0.428 -4.767 148 2HD2 LEU 82 2HD2 LEU 82 10.573 -1.382 -5.765 149 3HD2 LEU 82 3HD2 LEU 82 12.139 -2.043 -5.297 150 H LEU 83 H LEU 83 11.742 2.176 -8.653 151 HA LEU 83 HA LEU 83 13.843 2.251 -10.693 152 1HB LEU 83 1HB LEU 83 10.853 1.930 -10.861 153 2HB LEU 83 2HB LEU 83 11.863 2.167 -12.274 154 HG LEU 83 HG LEU 83 11.846 -0.188 -10.394 155 1HD1 LEU 83 1HD1 LEU 83 11.301 0.160 -13.335 156 2HD1 LEU 83 2HD1 LEU 83 11.470 -1.405 -12.540 157 3HD1 LEU 83 3HD1 LEU 83 10.161 -0.318 -12.077 158 1HD2 LEU 83 1HD2 LEU 83 13.976 0.797 -12.200 159 2HD2 LEU 83 2HD2 LEU 83 14.090 -0.162 -10.724 160 3HD2 LEU 83 3HD2 LEU 83 13.625 -0.931 -12.241 161 H ARG 84 H ARG 84 11.527 4.249 -9.073 162 HA ARG 84 HA ARG 84 11.161 6.491 -9.099 163 1HB ARG 84 1HB ARG 84 13.832 6.244 -9.707 164 2HB ARG 84 2HB ARG 84 13.229 7.211 -11.047 165 1HG ARG 84 1HG ARG 84 12.981 9.024 -9.775 166 2HG ARG 84 2HG ARG 84 12.256 8.110 -8.451 167 1HD ARG 84 1HD ARG 84 14.315 7.614 -7.499 168 2HD ARG 84 2HD ARG 84 15.190 7.908 -9.002 169 HE ARG 84 HE ARG 84 15.323 10.127 -8.451 170 1HH1 ARG 84 1HH1 ARG 84 12.932 8.598 -6.421 171 2HH1 ARG 84 2HH1 ARG 84 12.732 9.982 -5.400 172 1HH2 ARG 84 1HH2 ARG 84 15.059 11.949 -7.111 173 2HH2 ARG 84 2HH2 ARG 84 13.937 11.886 -5.792 174 H ASP 85 H ASP 85 10.280 4.555 -11.327 175 HA ASP 85 HA ASP 85 9.270 6.661 -13.115 176 1HB ASP 85 1HB ASP 85 10.167 3.904 -13.985 177 2HB ASP 85 2HB ASP 85 9.472 5.142 -15.027 178 H CYS 86 H CYS 86 7.444 5.553 -14.556 179 HA CYS 86 HA CYS 86 5.619 4.285 -12.635 180 1HB CYS 86 1HB CYS 86 3.840 5.022 -14.309 181 2HB CYS 86 2HB CYS 86 4.652 6.296 -13.408 182 H ILE 87 H ILE 87 5.700 2.150 -12.814 183 HA ILE 87 HA ILE 87 5.984 0.927 -15.458 184 HB ILE 87 HB ILE 87 6.050 -0.445 -12.772 185 1HG1 ILE 87 1HG1 ILE 87 8.582 -0.467 -13.295 186 2HG1 ILE 87 2HG1 ILE 87 8.220 0.865 -14.386 187 1HG2 ILE 87 1HG2 ILE 87 6.349 -1.305 -15.563 188 2HG2 ILE 87 2HG2 ILE 87 7.573 -1.924 -14.452 189 3HG2 ILE 87 3HG2 ILE 87 5.863 -2.221 -14.137 190 1HD1 ILE 87 1HD1 ILE 87 7.293 1.009 -11.563 191 2HD1 ILE 87 2HD1 ILE 87 8.987 1.321 -11.942 192 3HD1 ILE 87 3HD1 ILE 87 7.723 2.306 -12.678 193 H SER 88 H SER 88 4.535 -0.586 -16.261 194 HA SER 88 HA SER 88 1.812 -0.272 -15.340 195 1HB SER 88 1HB SER 88 1.562 -2.044 -17.338 196 2HB SER 88 2HB SER 88 1.747 -0.315 -17.628 197 HG SER 88 HG SER 88 3.221 -1.438 -18.895 198 H CYS 89 H CYS 89 0.401 -2.289 -15.249 199 HA CYS 89 HA CYS 89 1.777 -4.285 -13.589 200 1HB CYS 89 1HB CYS 89 -1.071 -3.319 -13.681 201 2HB CYS 89 2HB CYS 89 -0.655 -4.849 -12.917 202 H ALA 90 H ALA 90 -0.513 -3.941 -16.259 203 HA ALA 90 HA ALA 90 -0.956 -6.699 -16.674 204 1HB ALA 90 1HB ALA 90 -1.888 -4.307 -17.778 205 2HB ALA 90 2HB ALA 90 -1.163 -5.194 -19.119 206 3HB ALA 90 3HB ALA 90 -2.433 -5.942 -18.150 207 H SER 91 H SER 91 1.488 -4.471 -17.862 208 HA SER 91 HA SER 91 2.564 -6.215 -19.832 209 1HB SER 91 1HB SER 91 3.258 -3.602 -18.662 210 2HB SER 91 2HB SER 91 4.638 -4.545 -19.226 211 HG SER 91 HG SER 91 3.482 -4.764 -21.242 212 H ILE 92 H ILE 92 2.765 -6.205 -16.436 213 HA ILE 92 HA ILE 92 5.128 -7.964 -16.550 214 HB ILE 92 HB ILE 92 5.351 -7.342 -14.059 215 1HG1 ILE 92 1HG1 ILE 92 3.741 -4.976 -15.040 216 2HG1 ILE 92 2HG1 ILE 92 3.172 -6.186 -13.896 217 1HG2 ILE 92 1HG2 ILE 92 6.665 -6.541 -16.217 218 2HG2 ILE 92 2HG2 ILE 92 5.982 -4.985 -15.745 219 3HG2 ILE 92 3HG2 ILE 92 7.001 -5.879 -14.617 220 1HD1 ILE 92 1HD1 ILE 92 5.090 -5.510 -12.413 221 2HD1 ILE 92 2HD1 ILE 92 5.338 -4.147 -13.505 222 3HD1 ILE 92 3HD1 ILE 92 3.816 -4.311 -12.629 223 H CYS 93 H CYS 93 2.132 -8.524 -16.707 224 HA CYS 93 HA CYS 93 1.300 -9.754 -14.330 225 1HB CYS 93 1HB CYS 93 0.467 -9.886 -17.173 226 2HB CYS 93 2HB CYS 93 -0.027 -11.227 -16.144 227 H GLY 94 H GLY 94 2.174 -11.378 -13.287 228 1HA GLY 94 1HA GLY 94 2.578 -13.815 -13.382 229 2HA GLY 94 2HA GLY 94 3.486 -13.510 -14.856 230 H GLN 95 H GLN 95 4.642 -11.030 -13.653 231 HA GLN 95 HA GLN 95 6.297 -12.063 -11.495 232 1HB GLN 95 1HB GLN 95 7.274 -11.521 -14.262 233 2HB GLN 95 2HB GLN 95 8.318 -11.094 -12.913 234 1HG GLN 95 1HG GLN 95 7.134 -13.800 -12.877 235 2HG GLN 95 2HG GLN 95 8.364 -13.480 -14.098 236 1HE2 GLN 95 1HE2 GLN 95 10.356 -13.903 -13.506 237 2HE2 GLN 95 2HE2 GLN 95 10.966 -13.900 -11.890 238 H HIS 96 H HIS 96 4.541 -10.205 -10.998 239 HA HIS 96 HA HIS 96 6.049 -7.672 -10.986 240 1HB HIS 96 1HB HIS 96 3.799 -6.538 -10.915 241 2HB HIS 96 2HB HIS 96 4.170 -7.350 -12.432 242 HD1 HIS 96 HD1 HIS 96 2.084 -8.330 -13.295 243 HD2 HIS 96 HD2 HIS 96 2.388 -8.752 -9.177 244 HE1 HIS 96 HE1 HIS 96 0.062 -9.653 -12.606 245 HE2 HIS 96 HE2 HIS 96 0.185 -9.748 -10.092 246 HA PRO 97 HA PRO 97 5.819 -7.561 -6.592 247 1HB PRO 97 1HB PRO 97 4.993 -4.978 -6.108 248 2HB PRO 97 2HB PRO 97 6.653 -5.438 -6.501 249 1HG PRO 97 1HG PRO 97 4.517 -4.338 -8.282 250 2HG PRO 97 2HG PRO 97 6.247 -3.952 -8.235 251 1HD PRO 97 1HD PRO 97 5.220 -5.574 -10.108 252 2HD PRO 97 2HD PRO 97 6.832 -5.855 -9.423 253 H LYS 98 H LYS 98 4.344 -7.079 -4.727 254 HA LYS 98 HA LYS 98 1.869 -8.302 -5.052 255 1HB LYS 98 1HB LYS 98 3.083 -8.074 -2.899 256 2HB LYS 98 2HB LYS 98 2.662 -6.367 -2.868 257 1HG LYS 98 1HG LYS 98 0.221 -7.536 -3.195 258 2HG LYS 98 2HG LYS 98 1.061 -8.715 -2.186 259 1HD LYS 98 1HD LYS 98 -0.018 -7.198 -0.712 260 2HD LYS 98 2HD LYS 98 1.702 -6.803 -0.677 261 1HE LYS 98 1HE LYS 98 1.290 -4.991 -2.295 262 2HE LYS 98 2HE LYS 98 -0.431 -5.368 -2.255 263 1HZ LYS 98 1HZ LYS 98 0.824 -4.883 0.319 264 2HZ LYS 98 2HZ LYS 98 0.703 -3.539 -0.702 265 3HZ LYS 98 3HZ LYS 98 -0.687 -4.391 -0.258 266 H GLN 99 H GLN 99 2.772 -4.949 -5.383 267 HA GLN 99 HA GLN 99 0.295 -3.709 -5.111 268 1HB GLN 99 1HB GLN 99 2.714 -2.751 -5.527 269 2HB GLN 99 2HB GLN 99 2.204 -2.770 -7.209 270 1HG GLN 99 1HG GLN 99 1.570 -0.668 -6.648 271 2HG GLN 99 2HG GLN 99 0.095 -1.536 -6.224 272 1HE2 GLN 99 1HE2 GLN 99 3.232 -1.040 -4.635 273 2HE2 GLN 99 2HE2 GLN 99 2.578 -0.458 -3.145 274 H CYS 100 H CYS 100 1.702 -5.395 -7.860 275 HA CYS 100 HA CYS 100 -0.626 -4.775 -9.515 276 1HB CYS 100 1HB CYS 100 1.989 -6.167 -10.105 277 2HB CYS 100 2HB CYS 100 0.680 -6.045 -11.273 278 H ALA 101 H ALA 101 -0.603 -6.631 -7.112 279 HA ALA 101 HA ALA 101 -0.974 -9.270 -8.141 280 1HB ALA 101 1HB ALA 101 -1.602 -8.022 -5.475 281 2HB ALA 101 2HB ALA 101 -1.890 -9.723 -5.843 282 3HB ALA 101 3HB ALA 101 -0.250 -9.077 -5.889 283 H TYR 102 H TYR 102 -2.992 -6.492 -7.816 284 HA TYR 102 HA TYR 102 -5.494 -7.854 -7.733 285 1HB TYR 102 1HB TYR 102 -6.465 -5.651 -8.243 286 2HB TYR 102 2HB TYR 102 -5.277 -5.550 -6.947 287 HD1 TYR 102 HD1 TYR 102 -5.714 -5.001 -10.598 288 HD2 TYR 102 HD2 TYR 102 -3.474 -4.064 -7.105 289 HE1 TYR 102 HE1 TYR 102 -4.516 -3.252 -11.844 290 HE2 TYR 102 HE2 TYR 102 -2.270 -2.311 -8.340 291 HH TYR 102 HH TYR 102 -2.449 -2.011 -11.745 292 H PHE 103 H PHE 103 -3.224 -7.489 -10.189 293 HA PHE 103 HA PHE 103 -5.224 -7.570 -12.324 294 1HB PHE 103 1HB PHE 103 -2.981 -6.151 -12.257 295 2HB PHE 103 2HB PHE 103 -2.293 -7.645 -12.884 296 HD1 PHE 103 HD1 PHE 103 -4.324 -8.650 -14.672 297 HD2 PHE 103 HD2 PHE 103 -3.070 -4.644 -13.980 298 HE1 PHE 103 HE1 PHE 103 -5.064 -8.032 -16.937 299 HE2 PHE 103 HE2 PHE 103 -3.809 -4.016 -16.243 300 HZ PHE 103 HZ PHE 103 -4.806 -5.713 -17.725 301 H CYS 104 H CYS 104 -2.125 -9.255 -11.790 302 HA CYS 104 HA CYS 104 -3.479 -11.799 -12.351 303 1HB CYS 104 1HB CYS 104 -0.780 -11.113 -13.513 304 2HB CYS 104 2HB CYS 104 -1.777 -12.516 -13.866 305 H GLU 105 H GLU 105 -3.359 -12.422 -10.202 306 HA GLU 105 HA GLU 105 -0.770 -13.390 -9.352 307 1HB GLU 105 1HB GLU 105 -1.897 -10.957 -8.268 308 2HB GLU 105 2HB GLU 105 -1.703 -12.170 -7.011 309 1HG GLU 105 1HG GLU 105 0.468 -11.244 -8.879 310 2HG GLU 105 2HG GLU 105 0.244 -10.693 -7.220 311 H ASN 106 H ASN 106 -1.243 -14.126 -6.827 312 HA ASN 106 HA ASN 106 -2.452 -16.504 -6.825 313 1HB ASN 106 1HB ASN 106 -2.927 -14.705 -4.460 314 2HB ASN 106 2HB ASN 106 -2.592 -16.432 -4.474 315 1HD2 ASN 106 1HD2 ASN 106 -1.259 -13.250 -4.618 316 2HD2 ASN 106 2HD2 ASN 106 0.400 -13.705 -4.459 317 H LYS 107 H LYS 107 -4.163 -13.442 -6.484 318 HA LYS 107 HA LYS 107 -6.720 -14.819 -6.254 319 1HB LYS 107 1HB LYS 107 -7.648 -12.523 -6.003 320 2HB LYS 107 2HB LYS 107 -6.423 -12.918 -4.806 321 1HG LYS 107 1HG LYS 107 -5.080 -11.272 -5.475 322 2HG LYS 107 2HG LYS 107 -5.322 -11.646 -7.182 323 1HD LYS 107 1HD LYS 107 -7.523 -10.342 -5.644 324 2HD LYS 107 2HD LYS 107 -6.153 -9.368 -6.182 325 1HE LYS 107 1HE LYS 107 -7.288 -9.152 -8.098 326 2HE LYS 107 2HE LYS 107 -6.772 -10.804 -8.430 327 1HZ LYS 107 1HZ LYS 107 -8.929 -11.301 -7.005 328 2HZ LYS 107 2HZ LYS 107 -9.390 -9.800 -7.631 329 3HZ LYS 107 3HZ LYS 107 -8.990 -11.067 -8.678 330 H LEU 108 H LEU 108 -8.014 -15.207 -7.919 331 HA LEU 108 HA LEU 108 -8.434 -13.495 -10.101 332 1HB LEU 108 1HB LEU 108 -7.398 -14.860 -11.895 333 2HB LEU 108 2HB LEU 108 -6.235 -14.073 -10.846 334 HG LEU 108 HG LEU 108 -6.438 -16.480 -9.618 335 1HD1 LEU 108 1HD1 LEU 108 -7.031 -16.901 -12.529 336 2HD1 LEU 108 2HD1 LEU 108 -6.255 -18.139 -11.542 337 3HD1 LEU 108 3HD1 LEU 108 -7.869 -17.562 -11.126 338 1HD2 LEU 108 1HD2 LEU 108 -4.495 -15.050 -10.829 339 2HD2 LEU 108 2HD2 LEU 108 -4.263 -16.671 -10.173 340 3HD2 LEU 108 3HD2 LEU 108 -4.573 -16.453 -11.895 341 H ARG 109 H ARG 109 -9.395 -14.963 -12.048 342 HA ARG 109 HA ARG 109 -11.745 -16.091 -11.038 343 1HB ARG 109 1HB ARG 109 -10.573 -15.612 -13.623 344 2HB ARG 109 2HB ARG 109 -11.313 -17.207 -13.595 345 1HG ARG 109 1HG ARG 109 -13.236 -15.686 -12.408 346 2HG ARG 109 2HG ARG 109 -12.546 -14.558 -13.575 347 1HD ARG 109 1HD ARG 109 -13.147 -17.315 -14.501 348 2HD ARG 109 2HD ARG 109 -14.507 -16.236 -14.204 349 HE ARG 109 HE ARG 109 -13.795 -14.871 -15.960 350 1HH1 ARG 109 1HH1 ARG 109 -11.616 -17.566 -15.497 351 2HH1 ARG 109 2HH1 ARG 109 -10.861 -17.375 -17.041 352 1HH2 ARG 109 1HH2 ARG 109 -12.795 -14.624 -17.984 353 2HH2 ARG 109 2HH2 ARG 109 -11.529 -15.709 -18.453 Start of MODEL 12 1 1H GLY 64 1H GLY 64 4.619 17.806 -4.679 2 2H GLY 64 2H GLY 64 6.219 17.544 -5.159 3 3H GLY 64 3H GLY 64 5.791 18.995 -4.401 4 1HA GLY 64 1HA GLY 64 6.706 17.927 -2.630 5 2HA GLY 64 2HA GLY 64 5.028 17.422 -2.483 6 H SER 65 H SER 65 4.921 15.560 -4.571 7 HA SER 65 HA SER 65 6.278 13.343 -3.304 8 1HB SER 65 1HB SER 65 4.140 13.637 -5.373 9 2HB SER 65 2HB SER 65 5.040 12.121 -5.301 10 HG SER 65 HG SER 65 4.221 11.703 -3.355 11 HA PRO 66 HA PRO 66 9.567 13.022 -6.235 12 1HB PRO 66 1HB PRO 66 10.214 10.431 -6.047 13 2HB PRO 66 2HB PRO 66 10.437 11.537 -4.686 14 1HG PRO 66 1HG PRO 66 8.264 9.546 -5.174 15 2HG PRO 66 2HG PRO 66 9.106 9.937 -3.666 16 1HD PRO 66 1HD PRO 66 6.620 10.906 -4.366 17 2HD PRO 66 2HD PRO 66 7.718 11.690 -3.215 18 H TRP 67 H TRP 67 6.557 11.811 -6.921 19 HA TRP 67 HA TRP 67 7.134 10.157 -9.170 20 1HB TRP 67 1HB TRP 67 4.539 11.630 -8.818 21 2HB TRP 67 2HB TRP 67 4.819 10.030 -9.496 22 HD1 TRP 67 HD1 TRP 67 2.942 11.090 -6.855 23 HE1 TRP 67 HE1 TRP 67 3.101 9.631 -4.741 24 HE3 TRP 67 HE3 TRP 67 7.300 8.628 -7.892 25 HZ2 TRP 67 HZ2 TRP 67 4.844 7.694 -3.656 26 HZ3 TRP 67 HZ3 TRP 67 8.145 6.989 -6.263 27 HH2 TRP 67 HH2 TRP 67 6.940 6.531 -4.189 28 H SER 68 H SER 68 6.025 10.811 -11.350 29 HA SER 68 HA SER 68 6.454 13.617 -12.007 30 1HB SER 68 1HB SER 68 8.651 12.523 -12.358 31 2HB SER 68 2HB SER 68 7.891 11.398 -13.482 32 HG SER 68 HG SER 68 8.316 12.869 -14.914 33 H LEU 69 H LEU 69 5.521 14.247 -14.024 34 HA LEU 69 HA LEU 69 3.301 12.510 -14.796 35 1HB LEU 69 1HB LEU 69 3.064 14.985 -14.132 36 2HB LEU 69 2HB LEU 69 3.723 15.337 -15.719 37 HG LEU 69 HG LEU 69 1.791 13.803 -16.574 38 1HD1 LEU 69 1HD1 LEU 69 1.203 13.122 -14.215 39 2HD1 LEU 69 2HD1 LEU 69 0.557 14.750 -14.001 40 3HD1 LEU 69 3HD1 LEU 69 -0.137 13.677 -15.217 41 1HD2 LEU 69 1HD2 LEU 69 1.671 16.637 -15.648 42 2HD2 LEU 69 2HD2 LEU 69 1.695 15.988 -17.288 43 3HD2 LEU 69 3HD2 LEU 69 0.227 15.878 -16.317 44 H SER 70 H SER 70 6.202 12.278 -15.706 45 HA SER 70 HA SER 70 5.919 12.731 -18.575 46 1HB SER 70 1HB SER 70 8.303 11.675 -17.038 47 2HB SER 70 2HB SER 70 8.287 12.205 -18.719 48 HG SER 70 HG SER 70 8.478 14.188 -18.065 49 H CYS 71 H CYS 71 4.171 10.818 -17.611 50 HA CYS 71 HA CYS 71 4.916 8.562 -19.216 51 1HB CYS 71 1HB CYS 71 4.651 6.875 -17.421 52 2HB CYS 71 2HB CYS 71 6.052 7.912 -17.171 53 H ARG 72 H ARG 72 3.107 6.748 -18.778 54 HA ARG 72 HA ARG 72 0.673 7.927 -19.578 55 1HB ARG 72 1HB ARG 72 1.366 5.136 -18.667 56 2HB ARG 72 2HB ARG 72 -0.244 5.585 -19.211 57 1HG ARG 72 1HG ARG 72 2.126 6.123 -20.946 58 2HG ARG 72 2HG ARG 72 1.418 4.509 -20.875 59 1HD ARG 72 1HD ARG 72 -0.600 5.219 -21.779 60 2HD ARG 72 2HD ARG 72 -0.313 6.905 -21.348 61 HE ARG 72 HE ARG 72 0.567 5.545 -23.726 62 1HH1 ARG 72 1HH1 ARG 72 1.142 8.241 -21.586 63 2HH1 ARG 72 2HH1 ARG 72 1.954 9.184 -22.791 64 1HH2 ARG 72 1HH2 ARG 72 1.636 6.783 -25.310 65 2HH2 ARG 72 2HH2 ARG 72 2.236 8.356 -24.905 66 H LYS 73 H LYS 73 -0.971 8.721 -18.445 67 HA LYS 73 HA LYS 73 -0.875 8.582 -15.543 68 1HB LYS 73 1HB LYS 73 -1.917 10.428 -17.518 69 2HB LYS 73 2HB LYS 73 -3.127 10.061 -16.297 70 1HG LYS 73 1HG LYS 73 -0.333 11.015 -15.709 71 2HG LYS 73 2HG LYS 73 -1.766 12.044 -15.761 72 1HD LYS 73 1HD LYS 73 -2.311 11.486 -13.675 73 2HD LYS 73 2HD LYS 73 -2.238 9.767 -14.068 74 1HE LYS 73 1HE LYS 73 0.400 10.390 -13.955 75 2HE LYS 73 2HE LYS 73 -0.259 11.496 -12.749 76 1HZ LYS 73 1HZ LYS 73 -0.967 8.628 -12.741 77 2HZ LYS 73 2HZ LYS 73 0.446 9.179 -11.992 78 3HZ LYS 73 3HZ LYS 73 -1.063 9.744 -11.475 79 H GLU 74 H GLU 74 -1.965 6.479 -17.674 80 HA GLU 74 HA GLU 74 -4.644 6.014 -17.306 81 1HB GLU 74 1HB GLU 74 -2.581 4.661 -18.492 82 2HB GLU 74 2HB GLU 74 -3.010 3.574 -17.179 83 1HG GLU 74 1HG GLU 74 -4.703 2.808 -18.367 84 2HG GLU 74 2HG GLU 74 -5.419 4.419 -18.389 85 H GLN 75 H GLN 75 -5.788 4.473 -15.951 86 HA GLN 75 HA GLN 75 -5.134 4.829 -13.185 87 1HB GLN 75 1HB GLN 75 -7.465 4.426 -14.580 88 2HB GLN 75 2HB GLN 75 -7.222 2.864 -13.809 89 1HG GLN 75 1HG GLN 75 -7.700 3.655 -11.772 90 2HG GLN 75 2HG GLN 75 -6.828 5.162 -12.040 91 1HE2 GLN 75 1HE2 GLN 75 -9.484 4.605 -10.863 92 2HE2 GLN 75 2HE2 GLN 75 -10.594 5.579 -11.760 93 H GLY 76 H GLY 76 -4.733 2.294 -15.538 94 1HA GLY 76 1HA GLY 76 -4.071 0.321 -13.491 95 2HA GLY 76 2HA GLY 76 -4.157 0.036 -15.223 96 H LYS 77 H LYS 77 -2.321 2.416 -13.325 97 HA LYS 77 HA LYS 77 0.173 1.108 -14.085 98 1HB LYS 77 1HB LYS 77 -0.832 3.351 -15.481 99 2HB LYS 77 2HB LYS 77 0.490 3.939 -14.483 100 1HG LYS 77 1HG LYS 77 2.017 3.017 -15.804 101 2HG LYS 77 2HG LYS 77 1.177 1.467 -15.818 102 1HD LYS 77 1HD LYS 77 0.175 3.775 -17.447 103 2HD LYS 77 2HD LYS 77 1.473 2.740 -18.045 104 1HE LYS 77 1HE LYS 77 0.071 0.807 -17.940 105 2HE LYS 77 2HE LYS 77 -1.193 1.703 -17.098 106 1HZ LYS 77 1HZ LYS 77 -0.280 2.298 -19.860 107 2HZ LYS 77 2HZ LYS 77 -1.639 1.364 -19.487 108 3HZ LYS 77 3HZ LYS 77 -1.590 2.999 -19.053 109 H PHE 78 H PHE 78 1.650 1.194 -12.502 110 HA PHE 78 HA PHE 78 1.134 3.035 -10.260 111 1HB PHE 78 1HB PHE 78 2.079 1.410 -8.771 112 2HB PHE 78 2HB PHE 78 0.898 0.581 -9.777 113 HD1 PHE 78 HD1 PHE 78 4.464 1.015 -9.059 114 HD2 PHE 78 HD2 PHE 78 1.575 -1.095 -11.364 115 HE1 PHE 78 HE1 PHE 78 6.178 -0.629 -9.694 116 HE2 PHE 78 HE2 PHE 78 3.287 -2.745 -12.005 117 HZ PHE 78 HZ PHE 78 5.592 -2.511 -11.169 118 H TYR 79 H TYR 79 3.202 3.459 -8.940 119 HA TYR 79 HA TYR 79 5.398 4.015 -10.825 120 1HB TYR 79 1HB TYR 79 4.094 6.009 -9.916 121 2HB TYR 79 2HB TYR 79 4.802 5.632 -8.349 122 HD1 TYR 79 HD1 TYR 79 7.369 5.545 -8.211 123 HD2 TYR 79 HD2 TYR 79 5.260 7.334 -11.445 124 HE1 TYR 79 HE1 TYR 79 9.384 6.823 -8.809 125 HE2 TYR 79 HE2 TYR 79 7.266 8.614 -12.054 126 HH TYR 79 HH TYR 79 9.665 8.531 -11.762 127 H ASP 80 H ASP 80 7.408 3.397 -10.300 128 HA ASP 80 HA ASP 80 7.782 2.122 -7.669 129 1HB ASP 80 1HB ASP 80 7.872 0.680 -9.792 130 2HB ASP 80 2HB ASP 80 9.400 1.486 -10.132 131 H HIS 81 H HIS 81 8.684 3.711 -6.474 132 HA HIS 81 HA HIS 81 10.331 5.763 -7.253 133 1HB HIS 81 1HB HIS 81 9.287 5.457 -4.995 134 2HB HIS 81 2HB HIS 81 10.562 4.303 -4.621 135 HD1 HIS 81 HD1 HIS 81 10.044 7.971 -5.324 136 HD2 HIS 81 HD2 HIS 81 12.960 5.411 -3.837 137 HE1 HIS 81 HE1 HIS 81 11.840 9.466 -4.393 138 HE2 HIS 81 HE2 HIS 81 13.623 7.896 -3.556 139 H LEU 82 H LEU 82 11.415 2.610 -5.966 140 HA LEU 82 HA LEU 82 14.134 2.976 -6.076 141 1HB LEU 82 1HB LEU 82 14.164 0.450 -6.701 142 2HB LEU 82 2HB LEU 82 13.543 0.961 -5.144 143 HG LEU 82 HG LEU 82 11.459 0.843 -7.174 144 1HD1 LEU 82 1HD1 LEU 82 13.281 -1.462 -6.833 145 2HD1 LEU 82 2HD1 LEU 82 11.550 -1.798 -6.843 146 3HD1 LEU 82 3HD1 LEU 82 12.299 -0.984 -8.218 147 1HD2 LEU 82 1HD2 LEU 82 11.894 -0.318 -4.434 148 2HD2 LEU 82 2HD2 LEU 82 10.857 1.032 -4.894 149 3HD2 LEU 82 3HD2 LEU 82 10.435 -0.609 -5.382 150 H LEU 83 H LEU 83 11.921 2.544 -8.716 151 HA LEU 83 HA LEU 83 14.122 2.276 -10.630 152 1HB LEU 83 1HB LEU 83 11.133 2.016 -10.929 153 2HB LEU 83 2HB LEU 83 12.246 1.951 -12.281 154 HG LEU 83 HG LEU 83 12.037 -0.004 -9.994 155 1HD1 LEU 83 1HD1 LEU 83 11.369 -0.055 -12.907 156 2HD1 LEU 83 2HD1 LEU 83 11.786 -1.546 -12.062 157 3HD1 LEU 83 3HD1 LEU 83 10.408 -0.585 -11.526 158 1HD2 LEU 83 1HD2 LEU 83 14.097 0.172 -12.188 159 2HD2 LEU 83 2HD2 LEU 83 14.377 0.296 -10.452 160 3HD2 LEU 83 3HD2 LEU 83 13.854 -1.235 -11.154 161 H ARG 84 H ARG 84 11.803 4.539 -9.431 162 HA ARG 84 HA ARG 84 11.534 6.770 -9.781 163 1HB ARG 84 1HB ARG 84 14.183 6.365 -10.361 164 2HB ARG 84 2HB ARG 84 13.592 7.096 -11.847 165 1HG ARG 84 1HG ARG 84 12.673 8.965 -10.517 166 2HG ARG 84 2HG ARG 84 13.389 8.246 -9.072 167 1HD ARG 84 1HD ARG 84 15.395 8.405 -11.084 168 2HD ARG 84 2HD ARG 84 14.593 9.972 -10.978 169 HE ARG 84 HE ARG 84 15.208 9.015 -8.392 170 1HH1 ARG 84 1HH1 ARG 84 16.723 10.369 -11.229 171 2HH1 ARG 84 2HH1 ARG 84 18.037 11.071 -10.346 172 1HH2 ARG 84 1HH2 ARG 84 16.935 9.938 -7.228 173 2HH2 ARG 84 2HH2 ARG 84 18.158 10.825 -8.075 174 H ASP 85 H ASP 85 10.695 4.485 -11.760 175 HA ASP 85 HA ASP 85 9.710 6.319 -13.843 176 1HB ASP 85 1HB ASP 85 10.897 3.596 -14.055 177 2HB ASP 85 2HB ASP 85 9.557 3.981 -15.133 178 H CYS 86 H CYS 86 7.730 5.220 -14.986 179 HA CYS 86 HA CYS 86 5.901 4.414 -12.834 180 1HB CYS 86 1HB CYS 86 4.993 5.319 -15.548 181 2HB CYS 86 2HB CYS 86 4.143 5.405 -14.009 182 H ILE 87 H ILE 87 6.037 2.233 -12.740 183 HA ILE 87 HA ILE 87 5.972 0.657 -15.185 184 HB ILE 87 HB ILE 87 6.127 -0.258 -12.311 185 1HG1 ILE 87 1HG1 ILE 87 8.543 -0.765 -13.046 186 2HG1 ILE 87 2HG1 ILE 87 8.231 0.339 -14.381 187 1HG2 ILE 87 1HG2 ILE 87 6.554 -1.755 -14.893 188 2HG2 ILE 87 2HG2 ILE 87 6.880 -2.394 -13.281 189 3HG2 ILE 87 3HG2 ILE 87 5.230 -1.985 -13.750 190 1HD1 ILE 87 1HD1 ILE 87 7.603 1.308 -11.662 191 2HD1 ILE 87 2HD1 ILE 87 9.304 1.123 -12.088 192 3HD1 ILE 87 3HD1 ILE 87 8.263 2.168 -13.053 193 H SER 88 H SER 88 4.385 -0.896 -15.651 194 HA SER 88 HA SER 88 1.789 -0.375 -14.366 195 1HB SER 88 1HB SER 88 1.752 -1.811 -16.930 196 2HB SER 88 2HB SER 88 0.806 -0.419 -16.402 197 HG SER 88 HG SER 88 3.309 -0.507 -17.658 198 H CYS 89 H CYS 89 0.252 -2.291 -14.496 199 HA CYS 89 HA CYS 89 1.647 -4.618 -13.418 200 1HB CYS 89 1HB CYS 89 -1.288 -3.886 -13.457 201 2HB CYS 89 2HB CYS 89 -0.636 -5.347 -12.724 202 H ALA 90 H ALA 90 -0.446 -3.682 -16.077 203 HA ALA 90 HA ALA 90 -0.920 -6.316 -17.047 204 1HB ALA 90 1HB ALA 90 -2.069 -3.953 -17.552 205 2HB ALA 90 2HB ALA 90 -0.997 -4.053 -18.950 206 3HB ALA 90 3HB ALA 90 -2.179 -5.327 -18.651 207 H SER 91 H SER 91 1.600 -3.946 -17.515 208 HA SER 91 HA SER 91 2.751 -5.109 -19.837 209 1HB SER 91 1HB SER 91 3.621 -3.082 -17.818 210 2HB SER 91 2HB SER 91 4.829 -3.776 -18.899 211 HG SER 91 HG SER 91 2.699 -2.081 -19.457 212 H ILE 92 H ILE 92 2.763 -6.021 -16.546 213 HA ILE 92 HA ILE 92 5.129 -7.713 -16.967 214 HB ILE 92 HB ILE 92 4.741 -8.025 -14.340 215 1HG1 ILE 92 1HG1 ILE 92 3.619 -5.290 -14.984 216 2HG1 ILE 92 2HG1 ILE 92 2.835 -6.582 -14.084 217 1HG2 ILE 92 1HG2 ILE 92 6.705 -7.100 -15.759 218 2HG2 ILE 92 2HG2 ILE 92 6.116 -5.525 -15.225 219 3HG2 ILE 92 3HG2 ILE 92 6.623 -6.727 -14.037 220 1HD1 ILE 92 1HD1 ILE 92 5.038 -6.190 -12.576 221 2HD1 ILE 92 2HD1 ILE 92 4.765 -4.563 -13.201 222 3HD1 ILE 92 3HD1 ILE 92 3.489 -5.389 -12.308 223 H CYS 93 H CYS 93 2.545 -8.219 -14.606 224 HA CYS 93 HA CYS 93 1.224 -10.007 -14.167 225 1HB CYS 93 1HB CYS 93 1.100 -9.709 -17.113 226 2HB CYS 93 2HB CYS 93 0.488 -11.220 -16.444 227 H GLY 94 H GLY 94 1.962 -11.741 -13.187 228 1HA GLY 94 1HA GLY 94 2.569 -14.081 -13.420 229 2HA GLY 94 2HA GLY 94 3.629 -13.612 -14.738 230 H GLN 95 H GLN 95 4.835 -11.363 -13.461 231 HA GLN 95 HA GLN 95 6.148 -12.537 -11.118 232 1HB GLN 95 1HB GLN 95 7.602 -11.444 -13.533 233 2HB GLN 95 2HB GLN 95 8.367 -11.902 -12.016 234 1HG GLN 95 1HG GLN 95 6.754 -13.828 -13.657 235 2HG GLN 95 2HG GLN 95 8.481 -13.577 -13.904 236 1HE2 GLN 95 1HE2 GLN 95 6.167 -15.317 -12.244 237 2HE2 GLN 95 2HE2 GLN 95 7.179 -16.015 -11.030 238 H HIS 96 H HIS 96 4.256 -10.544 -11.046 239 HA HIS 96 HA HIS 96 5.776 -8.057 -10.663 240 1HB HIS 96 1HB HIS 96 3.502 -6.999 -10.551 241 2HB HIS 96 2HB HIS 96 3.865 -7.767 -12.094 242 HD1 HIS 96 HD1 HIS 96 1.782 -8.768 -12.936 243 HD2 HIS 96 HD2 HIS 96 2.204 -9.325 -8.846 244 HE1 HIS 96 HE1 HIS 96 -0.151 -10.221 -12.256 245 HE2 HIS 96 HE2 HIS 96 0.050 -10.430 -9.752 246 HA PRO 97 HA PRO 97 5.528 -8.109 -6.266 247 1HB PRO 97 1HB PRO 97 4.261 -5.432 -6.303 248 2HB PRO 97 2HB PRO 97 5.777 -5.948 -5.560 249 1HG PRO 97 1HG PRO 97 5.759 -4.443 -7.770 250 2HG PRO 97 2HG PRO 97 6.977 -5.708 -7.521 251 1HD PRO 97 1HD PRO 97 4.534 -5.739 -9.248 252 2HD PRO 97 2HD PRO 97 6.147 -6.411 -9.562 253 H LYS 98 H LYS 98 3.988 -7.731 -4.390 254 HA LYS 98 HA LYS 98 1.580 -9.111 -4.845 255 1HB LYS 98 1HB LYS 98 1.034 -8.484 -2.499 256 2HB LYS 98 2HB LYS 98 2.635 -9.188 -2.681 257 1HG LYS 98 1HG LYS 98 3.666 -7.331 -1.978 258 2HG LYS 98 2HG LYS 98 2.580 -6.269 -2.877 259 1HD LYS 98 1HD LYS 98 1.587 -7.700 -0.447 260 2HD LYS 98 2HD LYS 98 2.568 -6.244 -0.267 261 1HE LYS 98 1HE LYS 98 0.906 -4.898 -0.949 262 2HE LYS 98 2HE LYS 98 0.414 -5.999 -2.234 263 1HZ LYS 98 1HZ LYS 98 -0.204 -6.513 0.616 264 2HZ LYS 98 2HZ LYS 98 -1.235 -5.624 -0.388 265 3HZ LYS 98 3HZ LYS 98 -0.891 -7.240 -0.749 266 H GLN 99 H GLN 99 2.368 -5.773 -5.134 267 HA GLN 99 HA GLN 99 -0.190 -4.662 -4.660 268 1HB GLN 99 1HB GLN 99 0.667 -2.654 -5.674 269 2HB GLN 99 2HB GLN 99 1.928 -3.363 -4.675 270 1HG GLN 99 1HG GLN 99 2.643 -4.478 -6.945 271 2HG GLN 99 2HG GLN 99 1.759 -3.115 -7.632 272 1HE2 GLN 99 1HE2 GLN 99 3.913 -3.528 -4.838 273 2HE2 GLN 99 2HE2 GLN 99 4.986 -2.241 -5.260 274 H CYS 100 H CYS 100 1.391 -5.899 -7.565 275 HA CYS 100 HA CYS 100 -0.884 -5.192 -9.228 276 1HB CYS 100 1HB CYS 100 1.773 -6.498 -9.779 277 2HB CYS 100 2HB CYS 100 0.508 -6.424 -10.999 278 H ALA 101 H ALA 101 -0.752 -7.396 -6.997 279 HA ALA 101 HA ALA 101 -1.165 -9.870 -8.268 280 1HB ALA 101 1HB ALA 101 -0.726 -9.249 -5.758 281 2HB ALA 101 2HB ALA 101 -2.488 -9.266 -5.670 282 3HB ALA 101 3HB ALA 101 -1.616 -10.710 -6.185 283 H TYR 102 H TYR 102 -3.163 -7.113 -8.060 284 HA TYR 102 HA TYR 102 -5.674 -8.510 -8.228 285 1HB TYR 102 1HB TYR 102 -6.629 -6.256 -8.590 286 2HB TYR 102 2HB TYR 102 -5.600 -6.329 -7.163 287 HD1 TYR 102 HD1 TYR 102 -5.468 -5.435 -10.785 288 HD2 TYR 102 HD2 TYR 102 -3.962 -4.712 -6.872 289 HE1 TYR 102 HE1 TYR 102 -4.157 -3.541 -11.646 290 HE2 TYR 102 HE2 TYR 102 -2.648 -2.815 -7.721 291 HH TYR 102 HH TYR 102 -2.616 -1.282 -9.581 292 H PHE 103 H PHE 103 -3.248 -8.153 -10.423 293 HA PHE 103 HA PHE 103 -5.067 -7.851 -12.708 294 1HB PHE 103 1HB PHE 103 -2.794 -6.532 -12.337 295 2HB PHE 103 2HB PHE 103 -2.104 -7.984 -13.055 296 HD1 PHE 103 HD1 PHE 103 -3.720 -8.788 -15.166 297 HD2 PHE 103 HD2 PHE 103 -3.007 -4.815 -13.821 298 HE1 PHE 103 HE1 PHE 103 -4.265 -7.936 -17.409 299 HE2 PHE 103 HE2 PHE 103 -3.553 -3.954 -16.061 300 HZ PHE 103 HZ PHE 103 -4.183 -5.516 -17.859 301 H CYS 104 H CYS 104 -2.084 -9.710 -12.097 302 HA CYS 104 HA CYS 104 -3.459 -12.104 -13.119 303 1HB CYS 104 1HB CYS 104 -0.627 -11.271 -13.787 304 2HB CYS 104 2HB CYS 104 -1.399 -12.769 -14.287 305 H GLU 105 H GLU 105 -3.725 -12.642 -10.856 306 HA GLU 105 HA GLU 105 -1.592 -14.265 -9.880 307 1HB GLU 105 1HB GLU 105 -1.781 -11.535 -8.936 308 2HB GLU 105 2HB GLU 105 -1.977 -12.675 -7.613 309 1HG GLU 105 1HG GLU 105 0.131 -13.796 -8.446 310 2HG GLU 105 2HG GLU 105 0.352 -12.387 -9.483 311 H ASN 106 H ASN 106 -2.219 -14.667 -7.325 312 HA ASN 106 HA ASN 106 -4.280 -16.420 -7.255 313 1HB ASN 106 1HB ASN 106 -4.049 -14.811 -4.774 314 2HB ASN 106 2HB ASN 106 -3.983 -16.554 -4.996 315 1HD2 ASN 106 1HD2 ASN 106 -2.173 -13.580 -5.081 316 2HD2 ASN 106 2HD2 ASN 106 -0.602 -14.298 -5.012 317 H LYS 107 H LYS 107 -4.544 -12.956 -6.532 318 HA LYS 107 HA LYS 107 -7.245 -12.923 -5.813 319 1HB LYS 107 1HB LYS 107 -5.391 -10.852 -6.950 320 2HB LYS 107 2HB LYS 107 -7.090 -10.484 -6.685 321 1HG LYS 107 1HG LYS 107 -5.539 -11.670 -4.445 322 2HG LYS 107 2HG LYS 107 -5.268 -9.976 -4.860 323 1HD LYS 107 1HD LYS 107 -8.016 -11.110 -4.401 324 2HD LYS 107 2HD LYS 107 -7.034 -10.446 -3.095 325 1HE LYS 107 1HE LYS 107 -7.450 -8.822 -5.560 326 2HE LYS 107 2HE LYS 107 -8.765 -8.949 -4.392 327 1HZ LYS 107 1HZ LYS 107 -6.348 -8.401 -3.043 328 2HZ LYS 107 2HZ LYS 107 -6.555 -7.272 -4.285 329 3HZ LYS 107 3HZ LYS 107 -7.758 -7.469 -3.112 330 H LEU 108 H LEU 108 -5.835 -11.981 -8.954 331 HA LEU 108 HA LEU 108 -8.317 -12.914 -10.238 332 1HB LEU 108 1HB LEU 108 -7.698 -10.302 -10.037 333 2HB LEU 108 2HB LEU 108 -6.834 -10.689 -11.513 334 HG LEU 108 HG LEU 108 -9.026 -9.823 -12.050 335 1HD1 LEU 108 1HD1 LEU 108 -7.931 -12.015 -13.141 336 2HD1 LEU 108 2HD1 LEU 108 -9.478 -12.682 -12.620 337 3HD1 LEU 108 3HD1 LEU 108 -9.437 -11.296 -13.710 338 1HD2 LEU 108 1HD2 LEU 108 -9.857 -11.688 -9.937 339 2HD2 LEU 108 2HD2 LEU 108 -10.571 -10.160 -10.452 340 3HD2 LEU 108 3HD2 LEU 108 -10.909 -11.638 -11.352 341 H ARG 109 H ARG 109 -8.081 -14.150 -12.022 342 HA ARG 109 HA ARG 109 -5.471 -15.174 -12.619 343 1HB ARG 109 1HB ARG 109 -8.240 -15.727 -13.637 344 2HB ARG 109 2HB ARG 109 -6.839 -16.397 -14.461 345 1HG ARG 109 1HG ARG 109 -6.922 -18.094 -13.041 346 2HG ARG 109 2HG ARG 109 -6.418 -16.975 -11.773 347 1HD ARG 109 1HD ARG 109 -8.787 -16.442 -11.343 348 2HD ARG 109 2HD ARG 109 -9.256 -17.621 -12.567 349 HE ARG 109 HE ARG 109 -8.772 -19.322 -11.090 350 1HH1 ARG 109 1HH1 ARG 109 -7.617 -16.289 -9.797 351 2HH1 ARG 109 2HH1 ARG 109 -7.306 -16.937 -8.223 352 1HH2 ARG 109 1HH2 ARG 109 -8.359 -20.173 -9.021 353 2HH2 ARG 109 2HH2 ARG 109 -7.725 -19.142 -7.782 Start of MODEL 13 1 1H GLY 64 1H GLY 64 -0.418 5.121 -3.284 2 2H GLY 64 2H GLY 64 -1.836 4.200 -3.345 3 3H GLY 64 3H GLY 64 -1.585 5.442 -4.466 4 1HA GLY 64 1HA GLY 64 -0.325 2.785 -4.324 5 2HA GLY 64 2HA GLY 64 -1.089 3.569 -5.698 6 H SER 65 H SER 65 0.203 6.081 -5.488 7 HA SER 65 HA SER 65 3.003 5.341 -6.025 8 1HB SER 65 1HB SER 65 1.457 7.468 -7.517 9 2HB SER 65 2HB SER 65 3.064 6.846 -7.896 10 HG SER 65 HG SER 65 2.179 5.232 -8.906 11 HA PRO 66 HA PRO 66 3.860 8.366 -2.862 12 1HB PRO 66 1HB PRO 66 6.514 8.741 -3.509 13 2HB PRO 66 2HB PRO 66 5.904 7.427 -2.499 14 1HG PRO 66 1HG PRO 66 6.614 7.413 -5.402 15 2HG PRO 66 2HG PRO 66 6.921 6.180 -4.166 16 1HD PRO 66 1HD PRO 66 4.931 5.921 -5.947 17 2HD PRO 66 2HD PRO 66 4.758 5.355 -4.274 18 H TRP 67 H TRP 67 5.555 9.000 -5.950 19 HA TRP 67 HA TRP 67 4.865 11.834 -5.659 20 1HB TRP 67 1HB TRP 67 6.886 10.478 -7.451 21 2HB TRP 67 2HB TRP 67 6.582 12.211 -7.414 22 HD1 TRP 67 HD1 TRP 67 7.411 13.555 -5.220 23 HE1 TRP 67 HE1 TRP 67 9.222 12.995 -3.478 24 HE3 TRP 67 HE3 TRP 67 7.973 8.577 -6.211 25 HZ2 TRP 67 HZ2 TRP 67 10.695 10.737 -2.637 26 HZ3 TRP 67 HZ3 TRP 67 9.604 7.285 -4.895 27 HH2 TRP 67 HH2 TRP 67 10.936 8.345 -3.144 28 H SER 68 H SER 68 4.780 12.862 -8.055 29 HA SER 68 HA SER 68 3.183 11.254 -9.863 30 1HB SER 68 1HB SER 68 1.974 13.091 -7.985 31 2HB SER 68 2HB SER 68 1.664 13.610 -9.642 32 HG SER 68 HG SER 68 0.768 11.377 -8.283 33 H LEU 69 H LEU 69 4.841 11.602 -11.348 34 HA LEU 69 HA LEU 69 5.280 14.382 -12.193 35 1HB LEU 69 1HB LEU 69 7.278 13.541 -13.341 36 2HB LEU 69 2HB LEU 69 7.310 13.201 -11.621 37 HG LEU 69 HG LEU 69 6.292 10.879 -12.443 38 1HD1 LEU 69 1HD1 LEU 69 6.954 12.150 -14.876 39 2HD1 LEU 69 2HD1 LEU 69 8.129 10.858 -14.622 40 3HD1 LEU 69 3HD1 LEU 69 6.403 10.494 -14.620 41 1HD2 LEU 69 1HD2 LEU 69 8.478 11.492 -11.215 42 2HD2 LEU 69 2HD2 LEU 69 8.386 9.952 -12.071 43 3HD2 LEU 69 3HD2 LEU 69 9.231 11.318 -12.801 44 H SER 70 H SER 70 4.620 11.140 -13.485 45 HA SER 70 HA SER 70 2.819 12.104 -15.437 46 1HB SER 70 1HB SER 70 5.340 12.602 -16.253 47 2HB SER 70 2HB SER 70 5.160 10.954 -16.853 48 HG SER 70 HG SER 70 3.351 11.615 -18.014 49 H CYS 71 H CYS 71 1.432 10.502 -15.756 50 HA CYS 71 HA CYS 71 2.267 7.814 -16.271 51 1HB CYS 71 1HB CYS 71 2.347 8.121 -13.706 52 2HB CYS 71 2HB CYS 71 0.589 8.141 -13.796 53 H ARG 72 H ARG 72 0.582 6.498 -17.046 54 HA ARG 72 HA ARG 72 -1.506 7.882 -18.354 55 1HB ARG 72 1HB ARG 72 -1.318 4.906 -17.863 56 2HB ARG 72 2HB ARG 72 -2.241 5.711 -19.124 57 1HG ARG 72 1HG ARG 72 0.419 6.577 -19.409 58 2HG ARG 72 2HG ARG 72 0.477 4.832 -19.152 59 1HD ARG 72 1HD ARG 72 -0.602 4.371 -21.099 60 2HD ARG 72 2HD ARG 72 -1.564 5.847 -21.041 61 HE ARG 72 HE ARG 72 0.924 6.772 -21.517 62 1HH1 ARG 72 1HH1 ARG 72 -1.013 4.302 -23.042 63 2HH1 ARG 72 2HH1 ARG 72 -0.298 4.530 -24.604 64 1HH2 ARG 72 1HH2 ARG 72 1.864 7.073 -23.570 65 2HH2 ARG 72 2HH2 ARG 72 1.335 6.103 -24.903 66 H LYS 73 H LYS 73 -3.827 7.397 -18.142 67 HA LYS 73 HA LYS 73 -4.644 7.663 -15.393 68 1HB LYS 73 1HB LYS 73 -5.661 8.468 -17.883 69 2HB LYS 73 2HB LYS 73 -6.845 7.341 -17.236 70 1HG LYS 73 1HG LYS 73 -7.669 9.070 -16.112 71 2HG LYS 73 2HG LYS 73 -6.250 8.935 -15.071 72 1HD LYS 73 1HD LYS 73 -6.200 10.542 -17.608 73 2HD LYS 73 2HD LYS 73 -6.771 11.229 -16.087 74 1HE LYS 73 1HE LYS 73 -4.477 10.189 -15.224 75 2HE LYS 73 2HE LYS 73 -4.036 10.433 -16.914 76 1HZ LYS 73 1HZ LYS 73 -5.152 12.778 -16.358 77 2HZ LYS 73 2HZ LYS 73 -4.545 12.390 -14.828 78 3HZ LYS 73 3HZ LYS 73 -3.500 12.469 -16.156 79 H GLU 74 H GLU 74 -4.181 5.050 -17.492 80 HA GLU 74 HA GLU 74 -6.255 3.311 -16.915 81 1HB GLU 74 1HB GLU 74 -3.659 3.146 -18.084 82 2HB GLU 74 2HB GLU 74 -3.835 1.805 -16.961 83 1HG GLU 74 1HG GLU 74 -4.666 0.859 -18.854 84 2HG GLU 74 2HG GLU 74 -6.148 1.518 -18.162 85 H GLN 75 H GLN 75 -6.824 2.053 -15.229 86 HA GLN 75 HA GLN 75 -5.864 2.628 -12.651 87 1HB GLN 75 1HB GLN 75 -8.017 1.214 -13.757 88 2HB GLN 75 2HB GLN 75 -7.144 0.035 -12.789 89 1HG GLN 75 1HG GLN 75 -8.051 2.717 -11.770 90 2HG GLN 75 2HG GLN 75 -8.964 1.221 -11.584 91 1HE2 GLN 75 1HE2 GLN 75 -7.431 -0.627 -10.744 92 2HE2 GLN 75 2HE2 GLN 75 -6.528 -0.206 -9.333 93 H GLY 76 H GLY 76 -5.159 0.001 -14.899 94 1HA GLY 76 1HA GLY 76 -3.553 -1.478 -13.048 95 2HA GLY 76 2HA GLY 76 -3.641 -1.732 -14.784 96 H LYS 77 H LYS 77 -2.267 0.441 -12.337 97 HA LYS 77 HA LYS 77 0.286 0.389 -13.659 98 1HB LYS 77 1HB LYS 77 -1.547 2.690 -13.954 99 2HB LYS 77 2HB LYS 77 0.111 3.090 -13.526 100 1HG LYS 77 1HG LYS 77 0.465 1.284 -15.544 101 2HG LYS 77 2HG LYS 77 -1.000 2.129 -16.048 102 1HD LYS 77 1HD LYS 77 0.123 4.261 -15.888 103 2HD LYS 77 2HD LYS 77 1.568 3.487 -15.235 104 1HE LYS 77 1HE LYS 77 0.439 2.804 -17.937 105 2HE LYS 77 2HE LYS 77 1.615 4.096 -17.698 106 1HZ LYS 77 1HZ LYS 77 2.330 1.562 -16.501 107 2HZ LYS 77 2HZ LYS 77 2.253 1.543 -18.190 108 3HZ LYS 77 3HZ LYS 77 3.273 2.639 -17.402 109 H PHE 78 H PHE 78 1.906 1.744 -12.459 110 HA PHE 78 HA PHE 78 1.258 2.653 -9.828 111 1HB PHE 78 1HB PHE 78 2.438 1.004 -8.537 112 2HB PHE 78 2HB PHE 78 1.253 0.166 -9.532 113 HD1 PHE 78 HD1 PHE 78 4.838 0.913 -9.129 114 HD2 PHE 78 HD2 PHE 78 1.916 -1.404 -11.179 115 HE1 PHE 78 HE1 PHE 78 6.616 -0.537 -10.016 116 HE2 PHE 78 HE2 PHE 78 3.689 -2.859 -12.070 117 HZ PHE 78 HZ PHE 78 6.043 -2.426 -11.488 118 H TYR 79 H TYR 79 3.354 3.135 -8.576 119 HA TYR 79 HA TYR 79 5.378 4.073 -10.499 120 1HB TYR 79 1HB TYR 79 4.028 5.858 -9.344 121 2HB TYR 79 2HB TYR 79 4.736 5.322 -7.823 122 HD1 TYR 79 HD1 TYR 79 7.391 5.209 -7.846 123 HD2 TYR 79 HD2 TYR 79 5.042 7.606 -10.461 124 HE1 TYR 79 HE1 TYR 79 9.327 6.675 -8.231 125 HE2 TYR 79 HE2 TYR 79 6.971 9.078 -10.853 126 HH TYR 79 HH TYR 79 9.127 9.685 -9.520 127 H ASP 80 H ASP 80 7.447 3.513 -10.193 128 HA ASP 80 HA ASP 80 8.068 1.947 -7.776 129 1HB ASP 80 1HB ASP 80 8.221 0.745 -9.956 130 2HB ASP 80 2HB ASP 80 9.481 1.870 -10.451 131 H HIS 81 H HIS 81 9.592 2.644 -6.412 132 HA HIS 81 HA HIS 81 10.733 5.233 -6.769 133 1HB HIS 81 1HB HIS 81 11.782 4.843 -4.580 134 2HB HIS 81 2HB HIS 81 10.069 4.440 -4.557 135 HD1 HIS 81 HD1 HIS 81 9.488 1.843 -4.569 136 HD2 HIS 81 HD2 HIS 81 13.476 2.797 -3.894 137 HE1 HIS 81 HE1 HIS 81 10.528 -0.243 -3.625 138 HE2 HIS 81 HE2 HIS 81 12.913 0.392 -3.124 139 H LEU 82 H LEU 82 12.154 1.963 -6.601 140 HA LEU 82 HA LEU 82 14.816 2.719 -6.939 141 1HB LEU 82 1HB LEU 82 15.199 0.417 -7.723 142 2HB LEU 82 2HB LEU 82 14.246 0.488 -6.253 143 HG LEU 82 HG LEU 82 12.497 0.450 -8.536 144 1HD1 LEU 82 1HD1 LEU 82 14.688 -1.590 -8.474 145 2HD1 LEU 82 2HD1 LEU 82 13.093 -1.982 -9.113 146 3HD1 LEU 82 3HD1 LEU 82 14.043 -0.691 -9.846 147 1HD2 LEU 82 1HD2 LEU 82 12.077 -0.198 -6.121 148 2HD2 LEU 82 2HD2 LEU 82 11.440 -1.290 -7.350 149 3HD2 LEU 82 3HD2 LEU 82 12.920 -1.705 -6.484 150 H LEU 83 H LEU 83 12.228 2.677 -9.209 151 HA LEU 83 HA LEU 83 14.108 2.925 -11.454 152 1HB LEU 83 1HB LEU 83 11.152 2.347 -11.373 153 2HB LEU 83 2HB LEU 83 12.028 2.670 -12.856 154 HG LEU 83 HG LEU 83 12.422 0.332 -10.990 155 1HD1 LEU 83 1HD1 LEU 83 11.106 0.746 -13.616 156 2HD1 LEU 83 2HD1 LEU 83 11.971 -0.768 -13.356 157 3HD1 LEU 83 3HD1 LEU 83 10.657 -0.307 -12.275 158 1HD2 LEU 83 1HD2 LEU 83 14.150 1.467 -13.108 159 2HD2 LEU 83 2HD2 LEU 83 14.576 0.542 -11.668 160 3HD2 LEU 83 3HD2 LEU 83 13.948 -0.285 -13.093 161 H ARG 84 H ARG 84 11.790 4.650 -9.550 162 HA ARG 84 HA ARG 84 11.219 6.849 -9.464 163 1HB ARG 84 1HB ARG 84 13.821 6.831 -10.571 164 2HB ARG 84 2HB ARG 84 12.884 7.982 -11.513 165 1HG ARG 84 1HG ARG 84 12.763 9.457 -9.830 166 2HG ARG 84 2HG ARG 84 12.533 8.203 -8.610 167 1HD ARG 84 1HD ARG 84 14.709 8.161 -8.096 168 2HD ARG 84 2HD ARG 84 15.196 8.163 -9.790 169 HE ARG 84 HE ARG 84 14.411 10.716 -9.370 170 1HH1 ARG 84 1HH1 ARG 84 16.628 8.598 -7.705 171 2HH1 ARG 84 2HH1 ARG 84 17.654 9.886 -7.171 172 1HH2 ARG 84 1HH2 ARG 84 15.759 12.412 -8.670 173 2HH2 ARG 84 2HH2 ARG 84 17.160 12.052 -7.717 174 H ASP 85 H ASP 85 10.340 4.876 -11.691 175 HA ASP 85 HA ASP 85 9.010 6.914 -13.351 176 1HB ASP 85 1HB ASP 85 10.694 4.756 -14.184 177 2HB ASP 85 2HB ASP 85 9.056 4.432 -14.745 178 H CYS 86 H CYS 86 7.049 5.780 -14.521 179 HA CYS 86 HA CYS 86 5.487 4.495 -12.393 180 1HB CYS 86 1HB CYS 86 4.816 6.724 -13.611 181 2HB CYS 86 2HB CYS 86 4.244 5.631 -14.867 182 H ILE 87 H ILE 87 6.071 2.373 -12.699 183 HA ILE 87 HA ILE 87 5.948 1.143 -15.301 184 HB ILE 87 HB ILE 87 6.316 -0.110 -12.577 185 1HG1 ILE 87 1HG1 ILE 87 8.719 -0.318 -13.507 186 2HG1 ILE 87 2HG1 ILE 87 8.233 0.929 -14.649 187 1HG2 ILE 87 1HG2 ILE 87 6.356 -1.216 -15.347 188 2HG2 ILE 87 2HG2 ILE 87 7.403 -1.914 -14.112 189 3HG2 ILE 87 3HG2 ILE 87 5.655 -1.891 -13.877 190 1HD1 ILE 87 1HD1 ILE 87 7.756 1.415 -11.764 191 2HD1 ILE 87 2HD1 ILE 87 9.409 1.510 -12.373 192 3HD1 ILE 87 3HD1 ILE 87 8.156 2.547 -13.055 193 H SER 88 H SER 88 4.539 -0.568 -15.898 194 HA SER 88 HA SER 88 1.882 -0.318 -14.691 195 1HB SER 88 1HB SER 88 2.632 -0.217 -17.313 196 2HB SER 88 2HB SER 88 2.165 -1.910 -17.158 197 HG SER 88 HG SER 88 0.517 -0.102 -17.642 198 H CYS 89 H CYS 89 0.533 -2.360 -14.746 199 HA CYS 89 HA CYS 89 2.066 -4.486 -13.457 200 1HB CYS 89 1HB CYS 89 -0.905 -3.961 -13.626 201 2HB CYS 89 2HB CYS 89 -0.195 -5.344 -12.803 202 H ALA 90 H ALA 90 -0.088 -3.940 -16.192 203 HA ALA 90 HA ALA 90 -0.488 -6.567 -17.012 204 1HB ALA 90 1HB ALA 90 -1.338 -4.187 -17.909 205 2HB ALA 90 2HB ALA 90 -0.144 -4.564 -19.150 206 3HB ALA 90 3HB ALA 90 -1.475 -5.679 -18.838 207 H SER 91 H SER 91 2.117 -4.318 -17.874 208 HA SER 91 HA SER 91 3.426 -6.010 -19.699 209 1HB SER 91 1HB SER 91 4.086 -3.526 -18.233 210 2HB SER 91 2HB SER 91 5.463 -4.486 -18.773 211 HG SER 91 HG SER 91 3.324 -3.798 -20.492 212 H ILE 92 H ILE 92 3.209 -6.167 -16.290 213 HA ILE 92 HA ILE 92 5.457 -8.073 -16.232 214 HB ILE 92 HB ILE 92 5.599 -7.541 -13.767 215 1HG1 ILE 92 1HG1 ILE 92 3.941 -5.155 -14.619 216 2HG1 ILE 92 2HG1 ILE 92 3.395 -6.455 -13.565 217 1HG2 ILE 92 1HG2 ILE 92 6.437 -5.848 -16.023 218 2HG2 ILE 92 2HG2 ILE 92 6.564 -5.109 -14.426 219 3HG2 ILE 92 3HG2 ILE 92 7.398 -6.625 -14.764 220 1HD1 ILE 92 1HD1 ILE 92 5.613 -5.658 -12.255 221 2HD1 ILE 92 2HD1 ILE 92 5.094 -4.138 -12.985 222 3HD1 ILE 92 3HD1 ILE 92 3.993 -5.037 -11.940 223 H CYS 93 H CYS 93 2.508 -8.480 -16.732 224 HA CYS 93 HA CYS 93 1.344 -9.680 -14.466 225 1HB CYS 93 1HB CYS 93 0.793 -9.691 -17.381 226 2HB CYS 93 2HB CYS 93 0.103 -11.010 -16.439 227 H GLY 94 H GLY 94 1.898 -11.449 -13.420 228 1HA GLY 94 1HA GLY 94 2.139 -13.907 -13.644 229 2HA GLY 94 2HA GLY 94 3.304 -13.572 -14.915 230 H GLN 95 H GLN 95 4.711 -11.476 -13.683 231 HA GLN 95 HA GLN 95 5.763 -12.661 -11.216 232 1HB GLN 95 1HB GLN 95 7.389 -11.947 -13.661 233 2HB GLN 95 2HB GLN 95 8.093 -12.228 -12.074 234 1HG GLN 95 1HG GLN 95 7.640 -14.484 -12.121 235 2HG GLN 95 2HG GLN 95 6.334 -14.304 -13.291 236 1HE2 GLN 95 1HE2 GLN 95 9.170 -15.675 -12.992 237 2HE2 GLN 95 2HE2 GLN 95 9.813 -15.499 -14.585 238 H HIS 96 H HIS 96 4.268 -10.678 -10.765 239 HA HIS 96 HA HIS 96 6.006 -8.305 -10.566 240 1HB HIS 96 1HB HIS 96 3.879 -6.949 -10.674 241 2HB HIS 96 2HB HIS 96 4.326 -7.754 -12.175 242 HD1 HIS 96 HD1 HIS 96 2.162 -8.322 -13.248 243 HD2 HIS 96 HD2 HIS 96 2.183 -9.249 -9.200 244 HE1 HIS 96 HE1 HIS 96 -0.003 -9.523 -12.823 245 HE2 HIS 96 HE2 HIS 96 0.079 -10.167 -10.390 246 HA PRO 97 HA PRO 97 5.417 -8.065 -6.212 247 1HB PRO 97 1HB PRO 97 4.113 -5.409 -6.580 248 2HB PRO 97 2HB PRO 97 5.473 -5.861 -5.546 249 1HG PRO 97 1HG PRO 97 5.884 -4.514 -7.801 250 2HG PRO 97 2HG PRO 97 6.996 -5.801 -7.299 251 1HD PRO 97 1HD PRO 97 4.880 -5.835 -9.405 252 2HD PRO 97 2HD PRO 97 6.476 -6.613 -9.395 253 H LYS 98 H LYS 98 3.694 -7.516 -4.493 254 HA LYS 98 HA LYS 98 1.340 -8.987 -5.119 255 1HB LYS 98 1HB LYS 98 2.408 -8.970 -2.880 256 2HB LYS 98 2HB LYS 98 1.926 -7.290 -2.685 257 1HG LYS 98 1HG LYS 98 -0.447 -8.480 -3.296 258 2HG LYS 98 2HG LYS 98 0.370 -9.744 -2.375 259 1HD LYS 98 1HD LYS 98 -0.944 -8.320 -0.900 260 2HD LYS 98 2HD LYS 98 0.780 -8.143 -0.561 261 1HE LYS 98 1HE LYS 98 0.880 -6.030 -1.529 262 2HE LYS 98 2HE LYS 98 -0.605 -6.276 -2.448 263 1HZ LYS 98 1HZ LYS 98 -0.806 -6.326 0.465 264 2HZ LYS 98 2HZ LYS 98 -0.533 -4.824 -0.264 265 3HZ LYS 98 3HZ LYS 98 -1.896 -5.732 -0.685 266 H GLN 99 H GLN 99 2.119 -5.581 -4.951 267 HA GLN 99 HA GLN 99 -0.461 -4.516 -4.766 268 1HB GLN 99 1HB GLN 99 0.481 -2.458 -5.618 269 2HB GLN 99 2HB GLN 99 1.618 -3.201 -4.502 270 1HG GLN 99 1HG GLN 99 2.530 -4.240 -6.784 271 2HG GLN 99 2HG GLN 99 1.827 -2.750 -7.412 272 1HE2 GLN 99 1HE2 GLN 99 3.579 -3.589 -4.440 273 2HE2 GLN 99 2HE2 GLN 99 4.786 -2.364 -4.603 274 H CYS 100 H CYS 100 1.301 -5.813 -7.490 275 HA CYS 100 HA CYS 100 -0.723 -4.925 -9.393 276 1HB CYS 100 1HB CYS 100 1.941 -6.292 -9.625 277 2HB CYS 100 2HB CYS 100 0.811 -6.319 -10.975 278 H ALA 101 H ALA 101 -1.305 -6.914 -7.233 279 HA ALA 101 HA ALA 101 -1.623 -9.439 -8.557 280 1HB ALA 101 1HB ALA 101 -1.233 -9.307 -6.142 281 2HB ALA 101 2HB ALA 101 -2.779 -8.481 -5.942 282 3HB ALA 101 3HB ALA 101 -2.738 -10.149 -6.513 283 H TYR 102 H TYR 102 -3.584 -6.613 -7.986 284 HA TYR 102 HA TYR 102 -6.124 -7.696 -8.463 285 1HB TYR 102 1HB TYR 102 -6.783 -5.365 -9.011 286 2HB TYR 102 2HB TYR 102 -5.860 -5.482 -7.516 287 HD1 TYR 102 HD1 TYR 102 -5.408 -4.799 -11.156 288 HD2 TYR 102 HD2 TYR 102 -4.042 -4.075 -7.193 289 HE1 TYR 102 HE1 TYR 102 -3.818 -3.132 -12.014 290 HE2 TYR 102 HE2 TYR 102 -2.448 -2.406 -8.040 291 HH TYR 102 HH TYR 102 -2.596 -0.891 -10.669 292 H PHE 103 H PHE 103 -3.512 -7.154 -10.612 293 HA PHE 103 HA PHE 103 -5.204 -7.017 -12.971 294 1HB PHE 103 1HB PHE 103 -2.867 -5.845 -12.494 295 2HB PHE 103 2HB PHE 103 -2.247 -7.351 -13.160 296 HD1 PHE 103 HD1 PHE 103 -3.953 -8.040 -15.312 297 HD2 PHE 103 HD2 PHE 103 -2.743 -4.169 -14.028 298 HE1 PHE 103 HE1 PHE 103 -4.321 -7.177 -17.587 299 HE2 PHE 103 HE2 PHE 103 -3.110 -3.295 -16.301 300 HZ PHE 103 HZ PHE 103 -3.901 -4.801 -18.084 301 H CYS 104 H CYS 104 -2.363 -9.042 -12.206 302 HA CYS 104 HA CYS 104 -3.862 -11.386 -13.159 303 1HB CYS 104 1HB CYS 104 -0.971 -10.837 -13.857 304 2HB CYS 104 2HB CYS 104 -1.951 -12.189 -14.405 305 H GLU 105 H GLU 105 -4.143 -12.158 -11.065 306 HA GLU 105 HA GLU 105 -1.954 -13.630 -9.986 307 1HB GLU 105 1HB GLU 105 -2.518 -10.978 -8.918 308 2HB GLU 105 2HB GLU 105 -2.579 -12.227 -7.685 309 1HG GLU 105 1HG GLU 105 -0.274 -12.496 -9.429 310 2HG GLU 105 2HG GLU 105 -0.326 -10.941 -8.599 311 H ASN 106 H ASN 106 -2.737 -14.184 -7.496 312 HA ASN 106 HA ASN 106 -4.620 -16.114 -7.628 313 1HB ASN 106 1HB ASN 106 -4.670 -14.457 -5.141 314 2HB ASN 106 2HB ASN 106 -4.621 -16.206 -5.319 315 1HD2 ASN 106 1HD2 ASN 106 -2.769 -13.274 -5.242 316 2HD2 ASN 106 2HD2 ASN 106 -1.215 -14.013 -5.080 317 H LYS 107 H LYS 107 -5.330 -12.771 -6.609 318 HA LYS 107 HA LYS 107 -8.168 -13.283 -7.208 319 1HB LYS 107 1HB LYS 107 -8.676 -11.429 -5.678 320 2HB LYS 107 2HB LYS 107 -7.771 -12.703 -4.874 321 1HG LYS 107 1HG LYS 107 -6.312 -11.187 -4.194 322 2HG LYS 107 2HG LYS 107 -5.864 -10.903 -5.877 323 1HD LYS 107 1HD LYS 107 -8.210 -9.488 -5.615 324 2HD LYS 107 2HD LYS 107 -7.431 -9.253 -4.049 325 1HE LYS 107 1HE LYS 107 -5.390 -8.504 -5.191 326 2HE LYS 107 2HE LYS 107 -6.191 -8.718 -6.748 327 1HZ LYS 107 1HZ LYS 107 -7.486 -7.008 -4.756 328 2HZ LYS 107 2HZ LYS 107 -6.126 -6.400 -5.556 329 3HZ LYS 107 3HZ LYS 107 -7.481 -6.885 -6.443 330 H LEU 108 H LEU 108 -8.937 -12.363 -8.984 331 HA LEU 108 HA LEU 108 -8.090 -9.688 -9.737 332 1HB LEU 108 1HB LEU 108 -7.758 -10.482 -12.132 333 2HB LEU 108 2HB LEU 108 -6.477 -10.837 -10.988 334 HG LEU 108 HG LEU 108 -7.581 -13.142 -10.736 335 1HD1 LEU 108 1HD1 LEU 108 -8.948 -12.122 -13.213 336 2HD1 LEU 108 2HD1 LEU 108 -8.788 -13.836 -12.830 337 3HD1 LEU 108 3HD1 LEU 108 -9.689 -12.771 -11.751 338 1HD2 LEU 108 1HD2 LEU 108 -5.953 -12.085 -12.966 339 2HD2 LEU 108 2HD2 LEU 108 -5.585 -13.343 -11.785 340 3HD2 LEU 108 3HD2 LEU 108 -6.619 -13.705 -13.168 341 H ARG 109 H ARG 109 -10.540 -10.787 -8.745 342 HA ARG 109 HA ARG 109 -12.349 -9.658 -10.618 343 1HB ARG 109 1HB ARG 109 -11.844 -12.497 -10.823 344 2HB ARG 109 2HB ARG 109 -13.521 -12.200 -10.392 345 1HG ARG 109 1HG ARG 109 -14.020 -11.558 -12.453 346 2HG ARG 109 2HG ARG 109 -12.671 -10.421 -12.494 347 1HD ARG 109 1HD ARG 109 -11.154 -12.186 -13.146 348 2HD ARG 109 2HD ARG 109 -12.436 -13.387 -12.988 349 HE ARG 109 HE ARG 109 -13.443 -11.664 -14.805 350 1HH1 ARG 109 1HH1 ARG 109 -10.400 -13.357 -14.574 351 2HH1 ARG 109 2HH1 ARG 109 -10.185 -13.462 -16.288 352 1HH2 ARG 109 1HH2 ARG 109 -13.163 -11.802 -17.061 353 2HH2 ARG 109 2HH2 ARG 109 -11.755 -12.580 -17.701 Start of MODEL 14 1 1H GLY 64 1H GLY 64 0.328 8.745 -7.768 2 2H GLY 64 2H GLY 64 1.601 8.604 -8.873 3 3H GLY 64 3H GLY 64 0.135 9.295 -9.357 4 1HA GLY 64 1HA GLY 64 0.576 11.291 -8.446 5 2HA GLY 64 2HA GLY 64 1.429 10.565 -7.092 6 H SER 65 H SER 65 2.608 12.711 -7.982 7 HA SER 65 HA SER 65 4.764 11.770 -9.759 8 1HB SER 65 1HB SER 65 3.735 14.591 -9.361 9 2HB SER 65 2HB SER 65 5.113 14.148 -10.370 10 HG SER 65 HG SER 65 2.540 14.153 -11.017 11 HA PRO 66 HA PRO 66 6.706 12.554 -5.653 12 1HB PRO 66 1HB PRO 66 8.306 10.386 -5.650 13 2HB PRO 66 2HB PRO 66 6.610 10.307 -5.160 14 1HG PRO 66 1HG PRO 66 7.867 9.535 -7.761 15 2HG PRO 66 2HG PRO 66 6.605 8.703 -6.836 16 1HD PRO 66 1HD PRO 66 6.098 10.290 -9.006 17 2HD PRO 66 2HD PRO 66 4.938 10.023 -7.690 18 H TRP 67 H TRP 67 8.406 11.259 -8.521 19 HA TRP 67 HA TRP 67 10.376 13.412 -8.202 20 1HB TRP 67 1HB TRP 67 11.048 10.560 -8.932 21 2HB TRP 67 2HB TRP 67 12.188 11.896 -8.818 22 HD1 TRP 67 HD1 TRP 67 12.779 12.788 -6.325 23 HE1 TRP 67 HE1 TRP 67 12.648 11.602 -4.042 24 HE3 TRP 67 HE3 TRP 67 9.737 8.908 -7.616 25 HZ2 TRP 67 HZ2 TRP 67 11.412 9.310 -2.937 26 HZ3 TRP 67 HZ3 TRP 67 9.123 7.253 -5.896 27 HH2 TRP 67 HH2 TRP 67 9.945 7.453 -3.604 28 H SER 68 H SER 68 9.103 10.925 -10.394 29 HA SER 68 HA SER 68 10.164 11.860 -12.777 30 1HB SER 68 1HB SER 68 8.706 9.739 -12.220 31 2HB SER 68 2HB SER 68 7.375 10.772 -12.741 32 HG SER 68 HG SER 68 8.342 10.980 -14.737 33 H LEU 69 H LEU 69 8.974 12.901 -14.588 34 HA LEU 69 HA LEU 69 7.733 15.352 -13.625 35 1HB LEU 69 1HB LEU 69 9.537 14.801 -15.640 36 2HB LEU 69 2HB LEU 69 8.041 15.062 -16.516 37 HG LEU 69 HG LEU 69 9.326 17.124 -16.355 38 1HD1 LEU 69 1HD1 LEU 69 6.660 16.831 -15.132 39 2HD1 LEU 69 2HD1 LEU 69 7.483 18.364 -14.842 40 3HD1 LEU 69 3HD1 LEU 69 7.186 17.822 -16.493 41 1HD2 LEU 69 1HD2 LEU 69 9.466 16.337 -13.522 42 2HD2 LEU 69 2HD2 LEU 69 10.608 17.251 -14.508 43 3HD2 LEU 69 3HD2 LEU 69 9.194 18.053 -13.824 44 H SER 70 H SER 70 7.053 12.936 -16.163 45 HA SER 70 HA SER 70 4.238 12.989 -15.513 46 1HB SER 70 1HB SER 70 4.711 13.511 -18.391 47 2HB SER 70 2HB SER 70 3.411 14.072 -17.340 48 HG SER 70 HG SER 70 4.614 15.746 -16.710 49 H CYS 71 H CYS 71 3.006 11.383 -16.760 50 HA CYS 71 HA CYS 71 4.570 9.403 -18.208 51 1HB CYS 71 1HB CYS 71 3.420 8.981 -15.494 52 2HB CYS 71 2HB CYS 71 3.284 7.658 -16.648 53 H ARG 72 H ARG 72 2.881 7.413 -18.578 54 HA ARG 72 HA ARG 72 0.986 8.401 -20.379 55 1HB ARG 72 1HB ARG 72 1.222 5.699 -19.053 56 2HB ARG 72 2HB ARG 72 0.077 6.050 -20.340 57 1HG ARG 72 1HG ARG 72 2.718 6.880 -21.107 58 2HG ARG 72 2HG ARG 72 2.726 5.193 -20.592 59 1HD ARG 72 1HD ARG 72 0.630 4.980 -22.100 60 2HD ARG 72 2HD ARG 72 1.201 6.484 -22.823 61 HE ARG 72 HE ARG 72 3.392 4.906 -22.892 62 1HH1 ARG 72 1HH1 ARG 72 0.098 4.447 -23.951 63 2HH1 ARG 72 2HH1 ARG 72 0.531 3.382 -25.245 64 1HH2 ARG 72 1HH2 ARG 72 3.963 3.506 -24.594 65 2HH2 ARG 72 2HH2 ARG 72 2.725 2.848 -25.611 66 H LYS 73 H LYS 73 -1.360 8.129 -20.320 67 HA LYS 73 HA LYS 73 -2.426 9.066 -17.792 68 1HB LYS 73 1HB LYS 73 -2.963 9.820 -20.299 69 2HB LYS 73 2HB LYS 73 -4.201 8.585 -20.127 70 1HG LYS 73 1HG LYS 73 -5.450 9.857 -18.782 71 2HG LYS 73 2HG LYS 73 -4.054 10.417 -17.859 72 1HD LYS 73 1HD LYS 73 -3.688 12.214 -19.243 73 2HD LYS 73 2HD LYS 73 -4.437 11.429 -20.635 74 1HE LYS 73 1HE LYS 73 -6.240 11.936 -18.370 75 2HE LYS 73 2HE LYS 73 -5.601 13.382 -19.152 76 1HZ LYS 73 1HZ LYS 73 -6.315 11.902 -21.264 77 2HZ LYS 73 2HZ LYS 73 -7.490 11.428 -20.143 78 3HZ LYS 73 3HZ LYS 73 -7.311 13.062 -20.543 79 H GLU 74 H GLU 74 -1.983 6.072 -19.214 80 HA GLU 74 HA GLU 74 -4.346 4.694 -18.735 81 1HB GLU 74 1HB GLU 74 -1.593 4.040 -19.284 82 2HB GLU 74 2HB GLU 74 -2.251 2.926 -18.093 83 1HG GLU 74 1HG GLU 74 -4.060 3.396 -20.319 84 2HG GLU 74 2HG GLU 74 -2.508 2.729 -20.819 85 H GLN 75 H GLN 75 -5.437 4.239 -16.950 86 HA GLN 75 HA GLN 75 -4.415 4.935 -14.371 87 1HB GLN 75 1HB GLN 75 -6.856 5.036 -15.235 88 2HB GLN 75 2HB GLN 75 -6.913 3.329 -14.821 89 1HG GLN 75 1HG GLN 75 -6.716 3.731 -12.559 90 2HG GLN 75 2HG GLN 75 -5.988 5.318 -12.800 91 1HE2 GLN 75 1HE2 GLN 75 -8.143 4.764 -11.071 92 2HE2 GLN 75 2HE2 GLN 75 -9.524 5.629 -11.646 93 H GLY 76 H GLY 76 -4.071 2.187 -16.275 94 1HA GLY 76 1HA GLY 76 -4.020 0.302 -14.061 95 2HA GLY 76 2HA GLY 76 -3.726 -0.067 -15.753 96 H LYS 77 H LYS 77 -1.971 2.635 -14.694 97 HA LYS 77 HA LYS 77 0.441 0.969 -14.440 98 1HB LYS 77 1HB LYS 77 -0.064 3.656 -15.640 99 2HB LYS 77 2HB LYS 77 1.524 3.323 -14.962 100 1HG LYS 77 1HG LYS 77 2.069 1.851 -16.592 101 2HG LYS 77 2HG LYS 77 0.405 1.299 -16.805 102 1HD LYS 77 1HD LYS 77 -0.156 3.209 -18.094 103 2HD LYS 77 2HD LYS 77 1.342 4.030 -17.656 104 1HE LYS 77 1HE LYS 77 2.491 3.025 -19.288 105 2HE LYS 77 2HE LYS 77 1.799 1.447 -18.916 106 1HZ LYS 77 1HZ LYS 77 0.160 3.459 -20.298 107 2HZ LYS 77 2HZ LYS 77 1.300 2.572 -21.177 108 3HZ LYS 77 3HZ LYS 77 0.056 1.772 -20.354 109 H PHE 78 H PHE 78 1.928 1.380 -12.813 110 HA PHE 78 HA PHE 78 1.018 3.202 -10.683 111 1HB PHE 78 1HB PHE 78 1.688 1.636 -9.014 112 2HB PHE 78 2HB PHE 78 0.718 0.741 -10.178 113 HD1 PHE 78 HD1 PHE 78 2.077 -0.452 -12.077 114 HD2 PHE 78 HD2 PHE 78 3.713 0.777 -8.346 115 HE1 PHE 78 HE1 PHE 78 3.909 -2.070 -12.353 116 HE2 PHE 78 HE2 PHE 78 5.548 -0.840 -8.614 117 HZ PHE 78 HZ PHE 78 5.646 -2.267 -10.619 118 H TYR 79 H TYR 79 2.952 3.489 -9.039 119 HA TYR 79 HA TYR 79 5.344 4.121 -10.640 120 1HB TYR 79 1HB TYR 79 3.971 6.079 -9.751 121 2HB TYR 79 2HB TYR 79 4.498 5.590 -8.144 122 HD1 TYR 79 HD1 TYR 79 7.171 5.176 -8.030 123 HD2 TYR 79 HD2 TYR 79 5.177 7.763 -10.756 124 HE1 TYR 79 HE1 TYR 79 9.247 6.456 -8.320 125 HE2 TYR 79 HE2 TYR 79 7.248 9.054 -11.054 126 HH TYR 79 HH TYR 79 9.685 8.708 -10.807 127 H ASP 80 H ASP 80 6.875 2.686 -10.189 128 HA ASP 80 HA ASP 80 7.053 1.519 -7.525 129 1HB ASP 80 1HB ASP 80 7.264 0.211 -9.733 130 2HB ASP 80 2HB ASP 80 8.880 0.898 -9.838 131 H HIS 81 H HIS 81 8.176 2.539 -6.026 132 HA HIS 81 HA HIS 81 9.878 4.693 -6.407 133 1HB HIS 81 1HB HIS 81 10.576 4.368 -4.085 134 2HB HIS 81 2HB HIS 81 8.836 4.151 -4.252 135 HD1 HIS 81 HD1 HIS 81 11.886 2.459 -3.115 136 HD2 HIS 81 HD2 HIS 81 7.995 1.390 -4.109 137 HE1 HIS 81 HE1 HIS 81 11.564 0.148 -2.178 138 HE2 HIS 81 HE2 HIS 81 9.177 -0.446 -2.721 139 H LEU 82 H LEU 82 10.761 1.280 -5.874 140 HA LEU 82 HA LEU 82 13.526 1.612 -5.887 141 1HB LEU 82 1HB LEU 82 13.642 -0.771 -6.503 142 2HB LEU 82 2HB LEU 82 12.540 -0.457 -5.176 143 HG LEU 82 HG LEU 82 10.936 -0.352 -7.458 144 1HD1 LEU 82 1HD1 LEU 82 13.036 -1.488 -8.495 145 2HD1 LEU 82 2HD1 LEU 82 12.460 -2.912 -7.629 146 3HD1 LEU 82 3HD1 LEU 82 11.430 -2.134 -8.831 147 1HD2 LEU 82 1HD2 LEU 82 10.680 -1.369 -5.063 148 2HD2 LEU 82 2HD2 LEU 82 9.753 -2.027 -6.412 149 3HD2 LEU 82 3HD2 LEU 82 11.208 -2.854 -5.856 150 H LEU 83 H LEU 83 11.290 1.853 -8.480 151 HA LEU 83 HA LEU 83 13.443 1.604 -10.462 152 1HB LEU 83 1HB LEU 83 10.445 1.590 -10.744 153 2HB LEU 83 2HB LEU 83 11.540 1.633 -12.112 154 HG LEU 83 HG LEU 83 11.249 -0.591 -10.094 155 1HD1 LEU 83 1HD1 LEU 83 10.298 -0.106 -12.844 156 2HD1 LEU 83 2HD1 LEU 83 10.917 -1.721 -12.501 157 3HD1 LEU 83 3HD1 LEU 83 9.587 -1.065 -11.546 158 1HD2 LEU 83 1HD2 LEU 83 13.234 -0.249 -12.335 159 2HD2 LEU 83 2HD2 LEU 83 13.582 -0.398 -10.612 160 3HD2 LEU 83 3HD2 LEU 83 12.925 -1.773 -11.501 161 H ARG 84 H ARG 84 11.317 3.851 -8.935 162 HA ARG 84 HA ARG 84 11.109 6.108 -9.053 163 1HB ARG 84 1HB ARG 84 13.751 5.696 -10.408 164 2HB ARG 84 2HB ARG 84 13.018 7.293 -10.396 165 1HG ARG 84 1HG ARG 84 13.903 7.632 -8.399 166 2HG ARG 84 2HG ARG 84 12.861 6.361 -7.759 167 1HD ARG 84 1HD ARG 84 14.883 5.505 -7.155 168 2HD ARG 84 2HD ARG 84 14.761 4.815 -8.773 169 HE ARG 84 HE ARG 84 16.034 7.356 -8.822 170 1HH1 ARG 84 1HH1 ARG 84 16.580 3.995 -8.059 171 2HH1 ARG 84 2HH1 ARG 84 18.283 4.073 -8.365 172 1HH2 ARG 84 1HH2 ARG 84 18.273 7.461 -9.223 173 2HH2 ARG 84 2HH2 ARG 84 19.245 6.040 -9.025 174 H ASP 85 H ASP 85 10.180 4.196 -11.271 175 HA ASP 85 HA ASP 85 9.448 6.322 -13.164 176 1HB ASP 85 1HB ASP 85 10.138 3.477 -13.937 177 2HB ASP 85 2HB ASP 85 9.648 4.766 -15.033 178 H CYS 86 H CYS 86 7.640 5.259 -14.701 179 HA CYS 86 HA CYS 86 5.598 4.254 -12.845 180 1HB CYS 86 1HB CYS 86 3.976 5.052 -14.584 181 2HB CYS 86 2HB CYS 86 4.946 6.326 -13.855 182 H ILE 87 H ILE 87 5.502 2.111 -12.898 183 HA ILE 87 HA ILE 87 5.829 0.718 -15.458 184 HB ILE 87 HB ILE 87 5.717 -0.511 -12.707 185 1HG1 ILE 87 1HG1 ILE 87 8.261 -0.697 -13.110 186 2HG1 ILE 87 2HG1 ILE 87 8.024 0.594 -14.281 187 1HG2 ILE 87 1HG2 ILE 87 6.728 -1.554 -15.346 188 2HG2 ILE 87 2HG2 ILE 87 6.816 -2.405 -13.804 189 3HG2 ILE 87 3HG2 ILE 87 5.247 -2.050 -14.526 190 1HD1 ILE 87 1HD1 ILE 87 6.955 0.963 -11.539 191 2HD1 ILE 87 2HD1 ILE 87 8.694 1.102 -11.800 192 3HD1 ILE 87 3HD1 ILE 87 7.584 2.152 -12.679 193 H SER 88 H SER 88 4.369 -0.944 -16.078 194 HA SER 88 HA SER 88 1.620 -0.386 -15.274 195 1HB SER 88 1HB SER 88 2.288 -2.358 -17.417 196 2HB SER 88 2HB SER 88 0.953 -1.210 -17.326 197 HG SER 88 HG SER 88 3.587 -0.825 -18.178 198 H CYS 89 H CYS 89 0.127 -2.351 -15.184 199 HA CYS 89 HA CYS 89 1.432 -4.415 -13.542 200 1HB CYS 89 1HB CYS 89 -1.354 -3.274 -13.502 201 2HB CYS 89 2HB CYS 89 -0.977 -4.807 -12.728 202 H ALA 90 H ALA 90 -0.614 -3.853 -16.306 203 HA ALA 90 HA ALA 90 -1.308 -6.636 -16.630 204 1HB ALA 90 1HB ALA 90 -2.531 -4.381 -17.414 205 2HB ALA 90 2HB ALA 90 -1.663 -4.780 -18.897 206 3HB ALA 90 3HB ALA 90 -2.786 -5.943 -18.192 207 H SER 91 H SER 91 1.356 -4.680 -17.460 208 HA SER 91 HA SER 91 2.106 -6.302 -19.758 209 1HB SER 91 1HB SER 91 3.906 -4.735 -20.082 210 2HB SER 91 2HB SER 91 2.438 -3.817 -19.744 211 HG SER 91 HG SER 91 4.541 -4.414 -17.935 212 H ILE 92 H ILE 92 2.743 -6.117 -16.374 213 HA ILE 92 HA ILE 92 5.049 -7.922 -16.688 214 HB ILE 92 HB ILE 92 5.423 -7.328 -14.206 215 1HG1 ILE 92 1HG1 ILE 92 3.714 -4.983 -15.058 216 2HG1 ILE 92 2HG1 ILE 92 3.242 -6.210 -13.889 217 1HG2 ILE 92 1HG2 ILE 92 6.639 -6.526 -16.377 218 2HG2 ILE 92 2HG2 ILE 92 5.888 -4.981 -15.982 219 3HG2 ILE 92 3HG2 ILE 92 6.974 -5.753 -14.828 220 1HD1 ILE 92 1HD1 ILE 92 5.581 -5.366 -12.827 221 2HD1 ILE 92 2HD1 ILE 92 4.993 -3.885 -13.582 222 3HD1 ILE 92 3HD1 ILE 92 3.995 -4.727 -12.397 223 H CYS 93 H CYS 93 2.115 -8.611 -16.701 224 HA CYS 93 HA CYS 93 1.394 -9.841 -14.290 225 1HB CYS 93 1HB CYS 93 0.526 -10.077 -17.119 226 2HB CYS 93 2HB CYS 93 0.102 -11.407 -16.045 227 H GLY 94 H GLY 94 2.377 -11.406 -13.237 228 1HA GLY 94 1HA GLY 94 2.882 -13.835 -13.333 229 2HA GLY 94 2HA GLY 94 3.780 -13.483 -14.801 230 H GLN 95 H GLN 95 4.927 -11.020 -13.769 231 HA GLN 95 HA GLN 95 6.569 -11.910 -11.524 232 1HB GLN 95 1HB GLN 95 7.721 -11.024 -14.177 233 2HB GLN 95 2HB GLN 95 8.652 -11.298 -12.711 234 1HG GLN 95 1HG GLN 95 7.298 -13.657 -12.991 235 2HG GLN 95 2HG GLN 95 7.620 -13.199 -14.663 236 1HE2 GLN 95 1HE2 GLN 95 9.278 -13.295 -11.525 237 2HE2 GLN 95 2HE2 GLN 95 10.774 -13.901 -12.141 238 H HIS 96 H HIS 96 4.831 -10.133 -10.970 239 HA HIS 96 HA HIS 96 6.202 -7.528 -11.125 240 1HB HIS 96 1HB HIS 96 3.891 -6.509 -10.986 241 2HB HIS 96 2HB HIS 96 4.260 -7.332 -12.499 242 HD1 HIS 96 HD1 HIS 96 2.138 -8.346 -13.258 243 HD2 HIS 96 HD2 HIS 96 2.730 -8.866 -9.180 244 HE1 HIS 96 HE1 HIS 96 0.236 -9.794 -12.482 245 HE2 HIS 96 HE2 HIS 96 0.543 -9.983 -9.990 246 HA PRO 97 HA PRO 97 6.157 -7.228 -6.736 247 1HB PRO 97 1HB PRO 97 5.089 -4.709 -6.331 248 2HB PRO 97 2HB PRO 97 6.778 -5.036 -6.732 249 1HG PRO 97 1HG PRO 97 4.529 -4.205 -8.518 250 2HG PRO 97 2HG PRO 97 6.224 -3.680 -8.527 251 1HD PRO 97 1HD PRO 97 5.304 -5.458 -10.307 252 2HD PRO 97 2HD PRO 97 6.939 -5.591 -9.631 253 H LYS 98 H LYS 98 4.674 -6.598 -4.832 254 HA LYS 98 HA LYS 98 2.303 -8.111 -5.025 255 1HB LYS 98 1HB LYS 98 1.836 -7.259 -2.737 256 2HB LYS 98 2HB LYS 98 3.452 -7.926 -2.917 257 1HG LYS 98 1HG LYS 98 4.378 -6.021 -2.271 258 2HG LYS 98 2HG LYS 98 3.470 -5.108 -3.477 259 1HD LYS 98 1HD LYS 98 1.880 -5.985 -1.175 260 2HD LYS 98 2HD LYS 98 3.180 -4.860 -0.774 261 1HE LYS 98 1HE LYS 98 1.562 -4.179 -3.145 262 2HE LYS 98 2HE LYS 98 0.728 -4.095 -1.594 263 1HZ LYS 98 1HZ LYS 98 3.357 -2.866 -1.685 264 2HZ LYS 98 2HZ LYS 98 2.159 -2.096 -2.599 265 3HZ LYS 98 3HZ LYS 98 1.937 -2.331 -0.940 266 H GLN 99 H GLN 99 2.965 -4.759 -5.584 267 HA GLN 99 HA GLN 99 0.398 -3.692 -5.153 268 1HB GLN 99 1HB GLN 99 2.726 -2.549 -5.643 269 2HB GLN 99 2HB GLN 99 2.157 -2.600 -7.306 270 1HG GLN 99 1HG GLN 99 1.401 -0.547 -6.683 271 2HG GLN 99 2HG GLN 99 0.000 -1.533 -6.266 272 1HE2 GLN 99 1HE2 GLN 99 2.935 -0.102 -4.931 273 2HE2 GLN 99 2HE2 GLN 99 2.321 0.110 -3.331 274 H CYS 100 H CYS 100 1.855 -5.283 -7.929 275 HA CYS 100 HA CYS 100 -0.551 -4.839 -9.527 276 1HB CYS 100 1HB CYS 100 2.151 -6.014 -10.180 277 2HB CYS 100 2HB CYS 100 0.807 -6.015 -11.315 278 H ALA 101 H ALA 101 -0.423 -6.658 -7.144 279 HA ALA 101 HA ALA 101 -0.592 -9.328 -8.185 280 1HB ALA 101 1HB ALA 101 0.058 -8.500 -5.790 281 2HB ALA 101 2HB ALA 101 -1.681 -8.586 -5.511 282 3HB ALA 101 3HB ALA 101 -0.796 -10.029 -6.007 283 H TYR 102 H TYR 102 -2.812 -6.723 -7.581 284 HA TYR 102 HA TYR 102 -5.202 -8.220 -7.469 285 1HB TYR 102 1HB TYR 102 -6.329 -6.091 -7.936 286 2HB TYR 102 2HB TYR 102 -5.073 -5.892 -6.717 287 HD1 TYR 102 HD1 TYR 102 -5.796 -5.404 -10.327 288 HD2 TYR 102 HD2 TYR 102 -3.354 -4.322 -7.016 289 HE1 TYR 102 HE1 TYR 102 -4.795 -3.599 -11.663 290 HE2 TYR 102 HE2 TYR 102 -2.346 -2.513 -8.344 291 HH TYR 102 HH TYR 102 -3.611 -1.266 -11.012 292 H PHE 103 H PHE 103 -3.095 -7.585 -10.067 293 HA PHE 103 HA PHE 103 -5.166 -7.817 -12.096 294 1HB PHE 103 1HB PHE 103 -2.948 -6.365 -12.141 295 2HB PHE 103 2HB PHE 103 -2.260 -7.855 -12.777 296 HD1 PHE 103 HD1 PHE 103 -4.244 -8.940 -14.508 297 HD2 PHE 103 HD2 PHE 103 -3.237 -4.861 -13.840 298 HE1 PHE 103 HE1 PHE 103 -5.087 -8.371 -16.748 299 HE2 PHE 103 HE2 PHE 103 -4.078 -4.283 -16.079 300 HZ PHE 103 HZ PHE 103 -5.005 -6.039 -17.537 301 H CYS 104 H CYS 104 -2.019 -9.466 -11.719 302 HA CYS 104 HA CYS 104 -3.384 -12.009 -12.297 303 1HB CYS 104 1HB CYS 104 -0.674 -11.240 -13.392 304 2HB CYS 104 2HB CYS 104 -1.583 -12.703 -13.745 305 H GLU 105 H GLU 105 -3.325 -12.542 -10.083 306 HA GLU 105 HA GLU 105 -0.934 -13.846 -9.250 307 1HB GLU 105 1HB GLU 105 -1.391 -11.119 -8.357 308 2HB GLU 105 2HB GLU 105 -1.282 -12.236 -7.005 309 1HG GLU 105 1HG GLU 105 0.862 -13.070 -7.973 310 2HG GLU 105 2HG GLU 105 0.764 -11.767 -9.155 311 H ASN 106 H ASN 106 -1.303 -14.243 -6.629 312 HA ASN 106 HA ASN 106 -3.309 -16.130 -6.452 313 1HB ASN 106 1HB ASN 106 -2.992 -16.020 -4.004 314 2HB ASN 106 2HB ASN 106 -1.458 -16.041 -4.868 315 1HD2 ASN 106 1HD2 ASN 106 -0.216 -14.154 -4.961 316 2HD2 ASN 106 2HD2 ASN 106 -0.456 -12.854 -3.849 317 H LYS 107 H LYS 107 -3.476 -12.688 -5.905 318 HA LYS 107 HA LYS 107 -5.956 -12.641 -4.538 319 1HB LYS 107 1HB LYS 107 -4.268 -10.639 -5.964 320 2HB LYS 107 2HB LYS 107 -5.941 -10.217 -5.621 321 1HG LYS 107 1HG LYS 107 -4.830 -11.310 -3.256 322 2HG LYS 107 2HG LYS 107 -3.689 -10.125 -3.894 323 1HD LYS 107 1HD LYS 107 -6.629 -9.622 -3.432 324 2HD LYS 107 2HD LYS 107 -5.337 -9.141 -2.331 325 1HE LYS 107 1HE LYS 107 -4.398 -8.039 -4.569 326 2HE LYS 107 2HE LYS 107 -6.117 -8.018 -4.962 327 1HZ LYS 107 1HZ LYS 107 -6.280 -7.014 -2.568 328 2HZ LYS 107 2HZ LYS 107 -4.673 -6.574 -2.860 329 3HZ LYS 107 3HZ LYS 107 -5.899 -6.032 -3.892 330 H LEU 108 H LEU 108 -5.171 -11.878 -7.935 331 HA LEU 108 HA LEU 108 -7.925 -12.659 -8.637 332 1HB LEU 108 1HB LEU 108 -6.405 -10.238 -9.249 333 2HB LEU 108 2HB LEU 108 -7.101 -10.990 -10.672 334 HG LEU 108 HG LEU 108 -8.586 -9.281 -9.777 335 1HD1 LEU 108 1HD1 LEU 108 -9.344 -12.120 -9.925 336 2HD1 LEU 108 2HD1 LEU 108 -10.507 -11.060 -9.126 337 3HD1 LEU 108 3HD1 LEU 108 -9.994 -10.720 -10.778 338 1HD2 LEU 108 1HD2 LEU 108 -8.365 -10.904 -7.261 339 2HD2 LEU 108 2HD2 LEU 108 -8.077 -9.179 -7.490 340 3HD2 LEU 108 3HD2 LEU 108 -9.721 -9.815 -7.557 341 H ARG 109 H ARG 109 -7.683 -14.661 -9.454 342 HA ARG 109 HA ARG 109 -5.467 -15.208 -11.283 343 1HB ARG 109 1HB ARG 109 -7.413 -16.950 -9.793 344 2HB ARG 109 2HB ARG 109 -6.465 -17.589 -11.130 345 1HG ARG 109 1HG ARG 109 -4.539 -16.382 -9.645 346 2HG ARG 109 2HG ARG 109 -5.660 -16.923 -8.395 347 1HD ARG 109 1HD ARG 109 -4.316 -18.599 -10.507 348 2HD ARG 109 2HD ARG 109 -4.055 -18.660 -8.765 349 HE ARG 109 HE ARG 109 -6.187 -19.896 -10.245 350 1HH1 ARG 109 1HH1 ARG 109 -5.195 -18.685 -7.126 351 2HH1 ARG 109 2HH1 ARG 109 -6.306 -19.680 -6.247 352 1HH2 ARG 109 1HH2 ARG 109 -7.650 -21.206 -9.090 353 2HH2 ARG 109 2HH2 ARG 109 -7.700 -21.111 -7.361 Start of MODEL 15 1 1H GLY 64 1H GLY 64 -2.800 6.796 -6.247 2 2H GLY 64 2H GLY 64 -3.783 5.642 -5.497 3 3H GLY 64 3H GLY 64 -2.494 5.147 -6.472 4 1HA GLY 64 1HA GLY 64 -2.226 6.649 -3.926 5 2HA GLY 64 2HA GLY 64 -1.991 4.916 -4.097 6 H SER 65 H SER 65 -0.962 7.684 -6.086 7 HA SER 65 HA SER 65 1.638 6.538 -6.462 8 1HB SER 65 1HB SER 65 2.093 8.463 -7.847 9 2HB SER 65 2HB SER 65 0.454 7.909 -8.192 10 HG SER 65 HG SER 65 -0.278 9.561 -6.738 11 HA PRO 66 HA PRO 66 3.379 8.110 -2.643 12 1HB PRO 66 1HB PRO 66 5.905 7.718 -4.167 13 2HB PRO 66 2HB PRO 66 5.459 7.138 -2.557 14 1HG PRO 66 1HG PRO 66 5.506 5.473 -4.633 15 2HG PRO 66 2HG PRO 66 4.243 5.349 -3.394 16 1HD PRO 66 1HD PRO 66 4.089 6.485 -6.153 17 2HD PRO 66 2HD PRO 66 2.879 5.554 -5.246 18 H TRP 67 H TRP 67 5.268 9.039 -5.527 19 HA TRP 67 HA TRP 67 5.617 11.710 -4.457 20 1HB TRP 67 1HB TRP 67 6.641 10.401 -6.982 21 2HB TRP 67 2HB TRP 67 7.036 12.044 -6.488 22 HD1 TRP 67 HD1 TRP 67 8.723 12.342 -4.436 23 HE1 TRP 67 HE1 TRP 67 10.403 10.728 -3.341 24 HE3 TRP 67 HE3 TRP 67 7.001 7.938 -6.380 25 HZ2 TRP 67 HZ2 TRP 67 10.928 7.954 -3.306 26 HZ3 TRP 67 HZ3 TRP 67 8.148 5.849 -5.766 27 HH2 TRP 67 HH2 TRP 67 10.071 5.859 -4.260 28 H SER 68 H SER 68 5.376 13.581 -6.031 29 HA SER 68 HA SER 68 2.675 13.479 -7.116 30 1HB SER 68 1HB SER 68 3.008 15.371 -5.744 31 2HB SER 68 2HB SER 68 4.576 15.726 -6.469 32 HG SER 68 HG SER 68 2.049 15.936 -7.748 33 H LEU 69 H LEU 69 5.919 13.405 -8.222 34 HA LEU 69 HA LEU 69 5.373 14.461 -10.844 35 1HB LEU 69 1HB LEU 69 7.772 12.880 -9.934 36 2HB LEU 69 2HB LEU 69 7.659 13.902 -11.353 37 HG LEU 69 HG LEU 69 7.474 14.915 -8.515 38 1HD1 LEU 69 1HD1 LEU 69 9.796 14.898 -10.436 39 2HD1 LEU 69 2HD1 LEU 69 9.742 15.800 -8.923 40 3HD1 LEU 69 3HD1 LEU 69 9.686 14.038 -8.901 41 1HD2 LEU 69 1HD2 LEU 69 6.498 16.116 -10.701 42 2HD2 LEU 69 2HD2 LEU 69 7.211 17.000 -9.352 43 3HD2 LEU 69 3HD2 LEU 69 8.172 16.663 -10.793 44 H SER 70 H SER 70 4.462 11.647 -9.436 45 HA SER 70 HA SER 70 5.168 9.607 -11.169 46 1HB SER 70 1HB SER 70 4.023 9.035 -9.161 47 2HB SER 70 2HB SER 70 2.648 10.062 -9.569 48 HG SER 70 HG SER 70 3.441 7.766 -11.038 49 H CYS 71 H CYS 71 4.037 8.604 -12.912 50 HA CYS 71 HA CYS 71 2.359 10.471 -14.453 51 1HB CYS 71 1HB CYS 71 3.354 9.032 -16.443 52 2HB CYS 71 2HB CYS 71 4.222 10.418 -15.796 53 H ARG 72 H ARG 72 0.418 9.759 -15.059 54 HA ARG 72 HA ARG 72 -0.125 6.870 -14.829 55 1HB ARG 72 1HB ARG 72 -1.787 9.258 -14.082 56 2HB ARG 72 2HB ARG 72 -2.550 7.718 -14.449 57 1HG ARG 72 1HG ARG 72 -0.400 7.291 -12.615 58 2HG ARG 72 2HG ARG 72 -1.448 8.574 -12.008 59 1HD ARG 72 1HD ARG 72 -3.355 7.169 -12.072 60 2HD ARG 72 2HD ARG 72 -2.506 5.942 -13.011 61 HE ARG 72 HE ARG 72 -1.705 5.083 -11.057 62 1HH1 ARG 72 1HH1 ARG 72 -2.713 8.372 -10.476 63 2HH1 ARG 72 2HH1 ARG 72 -2.439 8.287 -8.768 64 1HH2 ARG 72 1HH2 ARG 72 -1.344 4.968 -8.811 65 2HH2 ARG 72 2HH2 ARG 72 -1.660 6.356 -7.823 66 H LYS 73 H LYS 73 0.031 6.208 -16.912 67 HA LYS 73 HA LYS 73 -1.177 7.756 -19.047 68 1HB LYS 73 1HB LYS 73 0.655 5.433 -18.864 69 2HB LYS 73 2HB LYS 73 -0.389 5.493 -20.278 70 1HG LYS 73 1HG LYS 73 1.118 7.945 -19.543 71 2HG LYS 73 2HG LYS 73 1.999 6.600 -20.273 72 1HD LYS 73 1HD LYS 73 1.011 6.875 -22.289 73 2HD LYS 73 2HD LYS 73 -0.538 7.339 -21.584 74 1HE LYS 73 1HE LYS 73 1.642 9.266 -21.173 75 2HE LYS 73 2HE LYS 73 1.154 9.042 -22.853 76 1HZ LYS 73 1HZ LYS 73 -1.219 9.267 -21.681 77 2HZ LYS 73 2HZ LYS 73 -0.301 10.240 -20.644 78 3HZ LYS 73 3HZ LYS 73 -0.363 10.588 -22.298 79 H GLU 74 H GLU 74 -1.843 4.912 -17.147 80 HA GLU 74 HA GLU 74 -4.462 4.714 -18.451 81 1HB GLU 74 1HB GLU 74 -2.438 2.844 -18.841 82 2HB GLU 74 2HB GLU 74 -3.467 2.110 -17.618 83 1HG GLU 74 1HG GLU 74 -5.262 3.079 -19.472 84 2HG GLU 74 2HG GLU 74 -3.923 2.492 -20.457 85 H GLN 75 H GLN 75 -5.621 2.749 -17.039 86 HA GLN 75 HA GLN 75 -5.757 3.912 -14.368 87 1HB GLN 75 1HB GLN 75 -7.788 3.436 -15.885 88 2HB GLN 75 2HB GLN 75 -7.560 1.752 -15.432 89 1HG GLN 75 1HG GLN 75 -9.073 2.370 -13.859 90 2HG GLN 75 2HG GLN 75 -7.584 2.757 -12.999 91 1HE2 GLN 75 1HE2 GLN 75 -10.529 3.922 -14.132 92 2HE2 GLN 75 2HE2 GLN 75 -10.277 5.601 -13.817 93 H GLY 76 H GLY 76 -4.791 0.987 -15.990 94 1HA GLY 76 1HA GLY 76 -4.444 -0.389 -13.419 95 2HA GLY 76 2HA GLY 76 -4.390 -1.146 -15.003 96 H LYS 77 H LYS 77 -2.664 1.428 -13.234 97 HA LYS 77 HA LYS 77 -0.140 0.152 -14.044 98 1HB LYS 77 1HB LYS 77 -0.669 3.129 -14.012 99 2HB LYS 77 2HB LYS 77 0.861 2.357 -14.406 100 1HG LYS 77 1HG LYS 77 -0.345 1.214 -16.305 101 2HG LYS 77 2HG LYS 77 -1.699 2.297 -15.976 102 1HD LYS 77 1HD LYS 77 -0.552 3.452 -17.616 103 2HD LYS 77 2HD LYS 77 0.103 4.167 -16.141 104 1HE LYS 77 1HE LYS 77 2.160 3.458 -16.619 105 2HE LYS 77 2HE LYS 77 1.594 1.817 -16.925 106 1HZ LYS 77 1HZ LYS 77 0.744 3.097 -19.117 107 2HZ LYS 77 2HZ LYS 77 2.166 3.952 -18.791 108 3HZ LYS 77 3HZ LYS 77 2.218 2.275 -19.013 109 H PHE 78 H PHE 78 1.728 0.897 -12.685 110 HA PHE 78 HA PHE 78 0.921 1.749 -10.001 111 1HB PHE 78 1HB PHE 78 1.969 -0.045 -8.893 112 2HB PHE 78 2HB PHE 78 1.060 -0.798 -10.198 113 HD1 PHE 78 HD1 PHE 78 2.547 -0.913 -12.487 114 HD2 PHE 78 HD2 PHE 78 4.037 -0.919 -8.501 115 HE1 PHE 78 HE1 PHE 78 4.590 -2.040 -13.256 116 HE2 PHE 78 HE2 PHE 78 6.086 -2.045 -9.264 117 HZ PHE 78 HZ PHE 78 6.365 -2.608 -11.645 118 H TYR 79 H TYR 79 2.967 2.069 -8.601 119 HA TYR 79 HA TYR 79 4.980 3.437 -10.262 120 1HB TYR 79 1HB TYR 79 3.478 4.826 -8.718 121 2HB TYR 79 2HB TYR 79 4.367 4.096 -7.384 122 HD1 TYR 79 HD1 TYR 79 7.052 4.212 -7.776 123 HD2 TYR 79 HD2 TYR 79 4.181 6.909 -9.386 124 HE1 TYR 79 HE1 TYR 79 8.800 5.926 -8.003 125 HE2 TYR 79 HE2 TYR 79 5.921 8.630 -9.617 126 HH TYR 79 HH TYR 79 8.486 8.636 -9.865 127 H ASP 80 H ASP 80 6.951 2.601 -10.230 128 HA ASP 80 HA ASP 80 7.657 0.741 -8.073 129 1HB ASP 80 1HB ASP 80 7.791 0.138 -10.590 130 2HB ASP 80 2HB ASP 80 9.251 1.122 -10.595 131 H HIS 81 H HIS 81 8.611 1.755 -6.432 132 HA HIS 81 HA HIS 81 9.956 4.183 -6.506 133 1HB HIS 81 1HB HIS 81 10.801 3.618 -4.288 134 2HB HIS 81 2HB HIS 81 9.112 3.145 -4.440 135 HD1 HIS 81 HD1 HIS 81 12.146 1.919 -3.126 136 HD2 HIS 81 HD2 HIS 81 9.032 0.200 -5.273 137 HE1 HIS 81 HE1 HIS 81 12.323 -0.554 -2.705 138 HE2 HIS 81 HE2 HIS 81 10.490 -1.581 -4.094 139 H LEU 82 H LEU 82 11.296 0.892 -6.641 140 HA LEU 82 HA LEU 82 13.995 1.555 -6.631 141 1HB LEU 82 1HB LEU 82 14.422 -0.612 -7.507 142 2HB LEU 82 2HB LEU 82 13.037 -0.741 -6.442 143 HG LEU 82 HG LEU 82 11.783 -0.368 -8.813 144 1HD1 LEU 82 1HD1 LEU 82 13.937 -0.359 -10.019 145 2HD1 LEU 82 2HD1 LEU 82 14.234 -2.001 -9.450 146 3HD1 LEU 82 3HD1 LEU 82 12.873 -1.673 -10.522 147 1HD2 LEU 82 1HD2 LEU 82 12.611 -2.768 -7.265 148 2HD2 LEU 82 2HD2 LEU 82 11.000 -2.119 -7.570 149 3HD2 LEU 82 3HD2 LEU 82 11.849 -3.006 -8.837 150 H LEU 83 H LEU 83 11.641 1.986 -9.111 151 HA LEU 83 HA LEU 83 13.734 2.521 -11.102 152 1HB LEU 83 1HB LEU 83 10.763 2.096 -11.394 153 2HB LEU 83 2HB LEU 83 11.812 2.571 -12.716 154 HG LEU 83 HG LEU 83 11.911 -0.024 -11.181 155 1HD1 LEU 83 1HD1 LEU 83 10.107 0.118 -12.811 156 2HD1 LEU 83 2HD1 LEU 83 11.259 0.590 -14.060 157 3HD1 LEU 83 3HD1 LEU 83 11.349 -1.017 -13.338 158 1HD2 LEU 83 1HD2 LEU 83 13.712 0.993 -13.375 159 2HD2 LEU 83 2HD2 LEU 83 14.169 0.682 -11.700 160 3HD2 LEU 83 3HD2 LEU 83 13.700 -0.656 -12.748 161 H ARG 84 H ARG 84 11.304 4.017 -9.148 162 HA ARG 84 HA ARG 84 10.797 6.196 -8.746 163 1HB ARG 84 1HB ARG 84 13.455 6.310 -9.930 164 2HB ARG 84 2HB ARG 84 12.516 7.755 -10.276 165 1HG ARG 84 1HG ARG 84 12.007 7.552 -7.668 166 2HG ARG 84 2HG ARG 84 13.577 6.745 -7.710 167 1HD ARG 84 1HD ARG 84 14.268 8.819 -9.145 168 2HD ARG 84 2HD ARG 84 12.871 9.568 -8.373 169 HE ARG 84 HE ARG 84 15.395 8.954 -7.160 170 1HH1 ARG 84 1HH1 ARG 84 11.991 9.422 -6.553 171 2HH1 ARG 84 2HH1 ARG 84 12.219 9.862 -4.895 172 1HH2 ARG 84 1HH2 ARG 84 15.698 9.532 -4.979 173 2HH2 ARG 84 2HH2 ARG 84 14.325 9.925 -4.000 174 H ASP 85 H ASP 85 10.081 4.639 -11.354 175 HA ASP 85 HA ASP 85 8.880 6.963 -12.707 176 1HB ASP 85 1HB ASP 85 10.378 4.655 -13.829 177 2HB ASP 85 2HB ASP 85 8.952 5.182 -14.720 178 H CYS 86 H CYS 86 7.083 5.957 -14.306 179 HA CYS 86 HA CYS 86 5.327 4.402 -12.538 180 1HB CYS 86 1HB CYS 86 3.468 5.306 -13.854 181 2HB CYS 86 2HB CYS 86 4.468 6.599 -13.203 182 H ILE 87 H ILE 87 5.278 2.311 -12.969 183 HA ILE 87 HA ILE 87 5.554 1.431 -15.764 184 HB ILE 87 HB ILE 87 5.986 -0.240 -13.292 185 1HG1 ILE 87 1HG1 ILE 87 8.444 0.009 -13.997 186 2HG1 ILE 87 2HG1 ILE 87 7.906 1.404 -14.925 187 1HG2 ILE 87 1HG2 ILE 87 6.462 -0.668 -16.222 188 2HG2 ILE 87 2HG2 ILE 87 7.298 -1.617 -14.992 189 3HG2 ILE 87 3HG2 ILE 87 5.538 -1.663 -15.097 190 1HD1 ILE 87 1HD1 ILE 87 7.138 1.268 -12.068 191 2HD1 ILE 87 2HD1 ILE 87 8.821 1.621 -12.462 192 3HD1 ILE 87 3HD1 ILE 87 7.535 2.662 -13.073 193 H SER 88 H SER 88 4.314 -0.446 -16.426 194 HA SER 88 HA SER 88 1.617 -0.367 -15.310 195 1HB SER 88 1HB SER 88 2.757 -0.802 -17.947 196 2HB SER 88 2HB SER 88 1.608 -2.073 -17.527 197 HG SER 88 HG SER 88 1.009 0.265 -18.431 198 H CYS 89 H CYS 89 0.414 -2.427 -15.119 199 HA CYS 89 HA CYS 89 2.093 -4.420 -13.801 200 1HB CYS 89 1HB CYS 89 -0.915 -4.097 -13.861 201 2HB CYS 89 2HB CYS 89 -0.046 -5.309 -12.926 202 H ALA 90 H ALA 90 -0.001 -4.027 -16.563 203 HA ALA 90 HA ALA 90 -0.492 -6.690 -17.219 204 1HB ALA 90 1HB ALA 90 -0.243 -4.227 -18.923 205 2HB ALA 90 2HB ALA 90 -0.687 -5.801 -19.584 206 3HB ALA 90 3HB ALA 90 -1.710 -5.034 -18.370 207 H SER 91 H SER 91 2.102 -4.570 -18.440 208 HA SER 91 HA SER 91 3.412 -6.459 -20.004 209 1HB SER 91 1HB SER 91 4.536 -4.070 -18.530 210 2HB SER 91 2HB SER 91 5.413 -4.982 -19.758 211 HG SER 91 HG SER 91 4.190 -3.013 -20.424 212 H ILE 92 H ILE 92 3.337 -6.134 -16.566 213 HA ILE 92 HA ILE 92 5.551 -8.061 -16.324 214 HB ILE 92 HB ILE 92 5.635 -7.348 -13.919 215 1HG1 ILE 92 1HG1 ILE 92 3.885 -5.083 -14.899 216 2HG1 ILE 92 2HG1 ILE 92 3.335 -6.394 -13.860 217 1HG2 ILE 92 1HG2 ILE 92 6.244 -5.483 -16.181 218 2HG2 ILE 92 2HG2 ILE 92 6.629 -5.042 -14.518 219 3HG2 ILE 92 3HG2 ILE 92 7.342 -6.486 -15.235 220 1HD1 ILE 92 1HD1 ILE 92 5.066 -5.671 -12.202 221 2HD1 ILE 92 2HD1 ILE 92 5.337 -4.252 -13.214 222 3HD1 ILE 92 3HD1 ILE 92 3.756 -4.522 -12.480 223 H CYS 93 H CYS 93 2.710 -8.672 -16.931 224 HA CYS 93 HA CYS 93 1.421 -9.704 -14.643 225 1HB CYS 93 1HB CYS 93 1.131 -10.049 -17.585 226 2HB CYS 93 2HB CYS 93 0.397 -11.274 -16.555 227 H GLY 94 H GLY 94 1.821 -11.450 -13.457 228 1HA GLY 94 1HA GLY 94 2.298 -13.775 -13.208 229 2HA GLY 94 2HA GLY 94 3.289 -13.692 -14.657 230 H GLN 95 H GLN 95 4.628 -11.225 -13.777 231 HA GLN 95 HA GLN 95 6.157 -12.201 -11.470 232 1HB GLN 95 1HB GLN 95 7.441 -11.132 -13.987 233 2HB GLN 95 2HB GLN 95 8.266 -11.747 -12.561 234 1HG GLN 95 1HG GLN 95 8.296 -13.759 -13.467 235 2HG GLN 95 2HG GLN 95 6.534 -13.785 -13.443 236 1HE2 GLN 95 1HE2 GLN 95 6.230 -14.844 -15.342 237 2HE2 GLN 95 2HE2 GLN 95 6.657 -14.193 -16.885 238 H HIS 96 H HIS 96 4.428 -10.368 -10.911 239 HA HIS 96 HA HIS 96 5.915 -7.824 -10.912 240 1HB HIS 96 1HB HIS 96 3.651 -6.711 -10.751 241 2HB HIS 96 2HB HIS 96 4.004 -7.475 -12.297 242 HD1 HIS 96 HD1 HIS 96 2.702 -9.678 -12.847 243 HD2 HIS 96 HD2 HIS 96 1.498 -7.768 -9.361 244 HE1 HIS 96 HE1 HIS 96 0.496 -10.718 -12.235 245 HE2 HIS 96 HE2 HIS 96 -0.194 -9.575 -10.100 246 HA PRO 97 HA PRO 97 5.804 -7.839 -6.514 247 1HB PRO 97 1HB PRO 97 5.246 -5.220 -5.940 248 2HB PRO 97 2HB PRO 97 6.832 -5.797 -6.461 249 1HG PRO 97 1HG PRO 97 4.666 -4.498 -8.068 250 2HG PRO 97 2HG PRO 97 6.417 -4.221 -8.117 251 1HD PRO 97 1HD PRO 97 5.168 -5.729 -9.961 252 2HD PRO 97 2HD PRO 97 6.807 -6.112 -9.395 253 H LYS 98 H LYS 98 4.438 -7.093 -4.594 254 HA LYS 98 HA LYS 98 1.856 -8.144 -4.827 255 1HB LYS 98 1HB LYS 98 3.176 -8.019 -2.721 256 2HB LYS 98 2HB LYS 98 2.887 -6.285 -2.678 257 1HG LYS 98 1HG LYS 98 0.366 -7.060 -2.828 258 2HG LYS 98 2HG LYS 98 1.035 -8.534 -2.123 259 1HD LYS 98 1HD LYS 98 0.440 -7.270 -0.260 260 2HD LYS 98 2HD LYS 98 2.167 -6.949 -0.432 261 1HE LYS 98 1HE LYS 98 1.817 -4.774 -0.778 262 2HE LYS 98 2HE LYS 98 0.566 -5.093 -1.979 263 1HZ LYS 98 1HZ LYS 98 -0.502 -5.704 0.519 264 2HZ LYS 98 2HZ LYS 98 0.267 -4.206 0.672 265 3HZ LYS 98 3HZ LYS 98 -0.926 -4.429 -0.506 266 H GLN 99 H GLN 99 3.055 -4.885 -5.186 267 HA GLN 99 HA GLN 99 0.733 -3.405 -4.835 268 1HB GLN 99 1HB GLN 99 3.200 -2.693 -5.397 269 2HB GLN 99 2HB GLN 99 2.614 -2.709 -7.054 270 1HG GLN 99 1HG GLN 99 2.416 -0.491 -6.265 271 2HG GLN 99 2HG GLN 99 0.787 -1.164 -6.328 272 1HE2 GLN 99 1HE2 GLN 99 3.436 -1.320 -3.970 273 2HE2 GLN 99 2HE2 GLN 99 2.497 -0.783 -2.623 274 H CYS 100 H CYS 100 1.859 -5.184 -7.664 275 HA CYS 100 HA CYS 100 -0.502 -4.415 -9.192 276 1HB CYS 100 1HB CYS 100 2.009 -5.939 -9.845 277 2HB CYS 100 2HB CYS 100 0.633 -5.935 -10.940 278 H ALA 101 H ALA 101 -0.636 -6.152 -6.766 279 HA ALA 101 HA ALA 101 -1.153 -8.819 -7.575 280 1HB ALA 101 1HB ALA 101 -1.782 -7.237 -5.110 281 2HB ALA 101 2HB ALA 101 -2.377 -8.884 -5.320 282 3HB ALA 101 3HB ALA 101 -0.641 -8.567 -5.318 283 H TYR 102 H TYR 102 -2.932 -5.948 -7.930 284 HA TYR 102 HA TYR 102 -5.524 -7.266 -7.987 285 1HB TYR 102 1HB TYR 102 -6.391 -4.989 -8.436 286 2HB TYR 102 2HB TYR 102 -5.409 -5.063 -6.976 287 HD1 TYR 102 HD1 TYR 102 -5.391 -4.025 -10.531 288 HD2 TYR 102 HD2 TYR 102 -3.458 -3.742 -6.752 289 HE1 TYR 102 HE1 TYR 102 -3.982 -2.206 -11.396 290 HE2 TYR 102 HE2 TYR 102 -2.041 -1.922 -7.607 291 HH TYR 102 HH TYR 102 -1.863 -1.137 -10.933 292 H PHE 103 H PHE 103 -3.033 -7.037 -10.138 293 HA PHE 103 HA PHE 103 -4.789 -6.673 -12.459 294 1HB PHE 103 1HB PHE 103 -2.465 -5.478 -12.054 295 2HB PHE 103 2HB PHE 103 -1.834 -6.968 -12.744 296 HD1 PHE 103 HD1 PHE 103 -2.625 -7.668 -15.033 297 HD2 PHE 103 HD2 PHE 103 -3.378 -3.811 -13.404 298 HE1 PHE 103 HE1 PHE 103 -3.081 -6.809 -17.293 299 HE2 PHE 103 HE2 PHE 103 -3.837 -2.943 -15.662 300 HZ PHE 103 HZ PHE 103 -3.689 -4.443 -17.610 301 H CYS 104 H CYS 104 -1.886 -8.690 -11.940 302 HA CYS 104 HA CYS 104 -3.401 -10.960 -13.058 303 1HB CYS 104 1HB CYS 104 -0.634 -9.976 -13.654 304 2HB CYS 104 2HB CYS 104 -0.997 -11.689 -13.819 305 H GLU 105 H GLU 105 -3.526 -10.720 -10.410 306 HA GLU 105 HA GLU 105 -1.808 -12.900 -9.482 307 1HB GLU 105 1HB GLU 105 -1.444 -10.221 -8.714 308 2HB GLU 105 2HB GLU 105 -2.206 -11.011 -7.341 309 1HG GLU 105 1HG GLU 105 -0.367 -12.837 -7.814 310 2HG GLU 105 2HG GLU 105 0.459 -11.474 -8.566 311 H ASN 106 H ASN 106 -2.613 -13.164 -6.934 312 HA ASN 106 HA ASN 106 -5.105 -14.426 -7.140 313 1HB ASN 106 1HB ASN 106 -4.968 -14.626 -4.664 314 2HB ASN 106 2HB ASN 106 -3.486 -15.119 -5.478 315 1HD2 ASN 106 1HD2 ASN 106 -1.655 -13.810 -5.330 316 2HD2 ASN 106 2HD2 ASN 106 -1.497 -12.595 -4.110 317 H LYS 107 H LYS 107 -6.304 -12.611 -8.125 318 HA LYS 107 HA LYS 107 -8.173 -11.507 -6.373 319 1HB LYS 107 1HB LYS 107 -5.842 -9.782 -6.999 320 2HB LYS 107 2HB LYS 107 -7.425 -9.027 -7.099 321 1HG LYS 107 1HG LYS 107 -7.051 -10.599 -4.673 322 2HG LYS 107 2HG LYS 107 -5.907 -9.265 -4.836 323 1HD LYS 107 1HD LYS 107 -8.867 -8.925 -5.234 324 2HD LYS 107 2HD LYS 107 -8.101 -8.767 -3.651 325 1HE LYS 107 1HE LYS 107 -7.198 -7.201 -6.055 326 2HE LYS 107 2HE LYS 107 -8.460 -6.623 -4.967 327 1HZ LYS 107 1HZ LYS 107 -5.678 -7.299 -4.174 328 2HZ LYS 107 2HZ LYS 107 -6.292 -5.735 -4.374 329 3HZ LYS 107 3HZ LYS 107 -6.887 -6.725 -3.140 330 H LEU 108 H LEU 108 -6.470 -10.703 -9.395 331 HA LEU 108 HA LEU 108 -9.087 -10.688 -10.749 332 1HB LEU 108 1HB LEU 108 -7.541 -8.486 -10.420 333 2HB LEU 108 2HB LEU 108 -6.917 -9.086 -11.945 334 HG LEU 108 HG LEU 108 -8.628 -7.472 -12.407 335 1HD1 LEU 108 1HD1 LEU 108 -8.499 -9.647 -13.728 336 2HD1 LEU 108 2HD1 LEU 108 -9.952 -10.130 -12.851 337 3HD1 LEU 108 3HD1 LEU 108 -9.976 -8.697 -13.879 338 1HD2 LEU 108 1HD2 LEU 108 -10.260 -9.088 -10.473 339 2HD2 LEU 108 2HD2 LEU 108 -9.895 -7.364 -10.435 340 3HD2 LEU 108 3HD2 LEU 108 -11.004 -8.003 -11.648 341 H ARG 109 H ARG 109 -9.278 -12.047 -12.410 342 HA ARG 109 HA ARG 109 -7.184 -12.674 -14.209 343 1HB ARG 109 1HB ARG 109 -7.199 -14.196 -11.822 344 2HB ARG 109 2HB ARG 109 -7.788 -15.251 -13.099 345 1HG ARG 109 1HG ARG 109 -5.334 -13.633 -13.578 346 2HG ARG 109 2HG ARG 109 -5.234 -15.077 -12.567 347 1HD ARG 109 1HD ARG 109 -5.044 -16.265 -14.439 348 2HD ARG 109 2HD ARG 109 -6.724 -15.860 -14.787 349 HE ARG 109 HE ARG 109 -5.371 -13.723 -15.737 350 1HH1 ARG 109 1HH1 ARG 109 -5.035 -17.162 -16.226 351 2HH1 ARG 109 2HH1 ARG 109 -4.414 -16.999 -17.835 352 1HH2 ARG 109 1HH2 ARG 109 -4.554 -13.506 -17.852 353 2HH2 ARG 109 2HH2 ARG 109 -4.141 -14.924 -18.758 Start of MODEL 16 1 1H GLY 64 1H GLY 64 -0.487 1.152 -2.889 2 2H GLY 64 2H GLY 64 0.229 -0.141 -2.067 3 3H GLY 64 3H GLY 64 0.756 0.269 -3.621 4 1HA GLY 64 1HA GLY 64 0.895 2.352 -1.584 5 2HA GLY 64 2HA GLY 64 2.040 1.027 -1.448 6 H SER 65 H SER 65 1.250 3.931 -3.051 7 HA SER 65 HA SER 65 3.547 3.567 -4.862 8 1HB SER 65 1HB SER 65 0.849 4.311 -5.467 9 2HB SER 65 2HB SER 65 1.902 5.681 -5.819 10 HG SER 65 HG SER 65 2.572 4.644 -7.504 11 HA PRO 66 HA PRO 66 5.437 6.969 -2.768 12 1HB PRO 66 1HB PRO 66 7.068 7.892 -4.741 13 2HB PRO 66 2HB PRO 66 7.396 6.416 -3.827 14 1HG PRO 66 1HG PRO 66 6.174 6.732 -6.541 15 2HG PRO 66 2HG PRO 66 7.386 5.561 -5.990 16 1HD PRO 66 1HD PRO 66 4.774 4.921 -6.254 17 2HD PRO 66 2HD PRO 66 5.805 4.203 -4.999 18 H TRP 67 H TRP 67 4.313 7.614 -6.082 19 HA TRP 67 HA TRP 67 3.475 10.292 -5.182 20 1HB TRP 67 1HB TRP 67 4.594 9.392 -7.831 21 2HB TRP 67 2HB TRP 67 3.684 10.890 -7.670 22 HD1 TRP 67 HD1 TRP 67 4.807 12.829 -6.109 23 HE1 TRP 67 HE1 TRP 67 7.280 13.314 -5.580 24 HE3 TRP 67 HE3 TRP 67 6.825 8.335 -7.472 25 HZ2 TRP 67 HZ2 TRP 67 9.757 11.969 -5.722 26 HZ3 TRP 67 HZ3 TRP 67 9.254 8.013 -7.244 27 HH2 TRP 67 HH2 TRP 67 10.690 9.795 -6.388 28 H SER 68 H SER 68 1.817 11.144 -7.012 29 HA SER 68 HA SER 68 -0.073 9.068 -7.765 30 1HB SER 68 1HB SER 68 -0.697 9.652 -5.438 31 2HB SER 68 2HB SER 68 -0.894 11.333 -5.933 32 HG SER 68 HG SER 68 -2.522 10.604 -7.393 33 H LEU 69 H LEU 69 0.598 12.547 -7.592 34 HA LEU 69 HA LEU 69 -0.991 13.000 -9.997 35 1HB LEU 69 1HB LEU 69 0.200 14.740 -7.889 36 2HB LEU 69 2HB LEU 69 -0.113 15.436 -9.467 37 HG LEU 69 HG LEU 69 -2.404 13.956 -8.434 38 1HD1 LEU 69 1HD1 LEU 69 -1.059 15.945 -6.709 39 2HD1 LEU 69 2HD1 LEU 69 -2.809 16.088 -6.880 40 3HD1 LEU 69 3HD1 LEU 69 -2.101 14.588 -6.283 41 1HD2 LEU 69 1HD2 LEU 69 -1.789 16.520 -9.776 42 2HD2 LEU 69 2HD2 LEU 69 -3.012 15.307 -10.150 43 3HD2 LEU 69 3HD2 LEU 69 -3.275 16.447 -8.830 44 H SER 70 H SER 70 1.727 11.612 -9.871 45 HA SER 70 HA SER 70 3.404 13.420 -11.404 46 1HB SER 70 1HB SER 70 3.767 10.785 -10.074 47 2HB SER 70 2HB SER 70 4.789 11.126 -11.470 48 HG SER 70 HG SER 70 5.432 13.060 -10.407 49 H CYS 71 H CYS 71 2.088 10.136 -11.893 50 HA CYS 71 HA CYS 71 1.681 10.776 -14.720 51 1HB CYS 71 1HB CYS 71 2.682 8.606 -15.394 52 2HB CYS 71 2HB CYS 71 3.858 9.705 -14.682 53 H ARG 72 H ARG 72 -0.401 10.397 -15.089 54 HA ARG 72 HA ARG 72 -1.649 8.061 -13.796 55 1HB ARG 72 1HB ARG 72 -2.606 10.844 -14.197 56 2HB ARG 72 2HB ARG 72 -3.793 9.560 -14.388 57 1HG ARG 72 1HG ARG 72 -2.462 8.907 -12.048 58 2HG ARG 72 2HG ARG 72 -2.625 10.662 -11.983 59 1HD ARG 72 1HD ARG 72 -4.844 10.560 -11.680 60 2HD ARG 72 2HD ARG 72 -5.042 9.286 -12.882 61 HE ARG 72 HE ARG 72 -3.853 8.360 -10.443 62 1HH1 ARG 72 1HH1 ARG 72 -6.874 9.074 -12.037 63 2HH1 ARG 72 2HH1 ARG 72 -7.796 7.993 -11.048 64 1HH2 ARG 72 1HH2 ARG 72 -5.063 6.936 -9.143 65 2HH2 ARG 72 2HH2 ARG 72 -6.769 6.779 -9.405 66 H LYS 73 H LYS 73 -1.381 6.581 -15.417 67 HA LYS 73 HA LYS 73 -2.246 7.266 -18.119 68 1HB LYS 73 1HB LYS 73 -0.886 4.813 -16.994 69 2HB LYS 73 2HB LYS 73 -1.370 4.980 -18.676 70 1HG LYS 73 1HG LYS 73 0.094 7.273 -18.178 71 2HG LYS 73 2HG LYS 73 0.962 6.010 -17.304 72 1HD LYS 73 1HD LYS 73 0.101 5.206 -19.980 73 2HD LYS 73 2HD LYS 73 1.221 6.569 -19.977 74 1HE LYS 73 1HE LYS 73 2.689 5.202 -18.445 75 2HE LYS 73 2HE LYS 73 1.633 3.833 -18.791 76 1HZ LYS 73 1HZ LYS 73 2.149 4.137 -21.163 77 2HZ LYS 73 2HZ LYS 73 3.242 5.365 -20.763 78 3HZ LYS 73 3HZ LYS 73 3.525 3.780 -20.243 79 H GLU 74 H GLU 74 -2.832 4.648 -15.766 80 HA GLU 74 HA GLU 74 -5.649 4.656 -16.472 81 1HB GLU 74 1HB GLU 74 -3.978 2.883 -17.770 82 2HB GLU 74 2HB GLU 74 -4.605 1.923 -16.438 83 1HG GLU 74 1HG GLU 74 -6.854 2.290 -17.135 84 2HG GLU 74 2HG GLU 74 -6.343 3.474 -18.337 85 H GLN 75 H GLN 75 -6.601 2.542 -15.177 86 HA GLN 75 HA GLN 75 -6.117 3.211 -12.419 87 1HB GLN 75 1HB GLN 75 -8.159 1.764 -13.950 88 2HB GLN 75 2HB GLN 75 -7.831 1.070 -12.368 89 1HG GLN 75 1HG GLN 75 -8.823 2.753 -11.286 90 2HG GLN 75 2HG GLN 75 -8.134 3.977 -12.352 91 1HE2 GLN 75 1HE2 GLN 75 -9.332 4.773 -13.994 92 2HE2 GLN 75 2HE2 GLN 75 -10.962 4.308 -14.323 93 H GLY 76 H GLY 76 -4.562 1.168 -14.512 94 1HA GLY 76 1HA GLY 76 -3.835 -0.678 -12.321 95 2HA GLY 76 2HA GLY 76 -3.887 -1.160 -14.010 96 H LYS 77 H LYS 77 -2.626 1.951 -13.095 97 HA LYS 77 HA LYS 77 0.069 1.000 -13.807 98 1HB LYS 77 1HB LYS 77 -1.442 3.463 -14.445 99 2HB LYS 77 2HB LYS 77 0.261 3.687 -14.069 100 1HG LYS 77 1HG LYS 77 0.397 3.383 -16.317 101 2HG LYS 77 2HG LYS 77 0.547 1.708 -15.785 102 1HD LYS 77 1HD LYS 77 -1.761 1.282 -16.250 103 2HD LYS 77 2HD LYS 77 -2.068 2.993 -16.555 104 1HE LYS 77 1HE LYS 77 -1.212 2.910 -18.642 105 2HE LYS 77 2HE LYS 77 0.047 1.762 -18.193 106 1HZ LYS 77 1HZ LYS 77 -2.109 0.228 -17.979 107 2HZ LYS 77 2HZ LYS 77 -2.633 1.275 -19.200 108 3HZ LYS 77 3HZ LYS 77 -1.217 0.374 -19.409 109 H PHE 78 H PHE 78 1.699 1.236 -12.399 110 HA PHE 78 HA PHE 78 1.197 2.826 -9.968 111 1HB PHE 78 1HB PHE 78 2.325 1.174 -8.641 112 2HB PHE 78 2HB PHE 78 1.105 0.344 -9.601 113 HD1 PHE 78 HD1 PHE 78 4.712 0.984 -9.239 114 HD2 PHE 78 HD2 PHE 78 1.707 -1.288 -11.217 115 HE1 PHE 78 HE1 PHE 78 6.438 -0.542 -10.098 116 HE2 PHE 78 HE2 PHE 78 3.428 -2.820 -12.081 117 HZ PHE 78 HZ PHE 78 5.798 -2.447 -11.520 118 H TYR 79 H TYR 79 3.318 3.305 -8.784 119 HA TYR 79 HA TYR 79 5.370 4.025 -10.772 120 1HB TYR 79 1HB TYR 79 4.037 5.927 -9.710 121 2HB TYR 79 2HB TYR 79 4.865 5.529 -8.207 122 HD1 TYR 79 HD1 TYR 79 7.460 5.499 -8.296 123 HD2 TYR 79 HD2 TYR 79 5.018 7.405 -11.206 124 HE1 TYR 79 HE1 TYR 79 9.372 6.885 -8.983 125 HE2 TYR 79 HE2 TYR 79 6.919 8.794 -11.907 126 HH TYR 79 HH TYR 79 9.773 9.046 -10.096 127 H ASP 80 H ASP 80 7.296 3.137 -10.492 128 HA ASP 80 HA ASP 80 7.875 1.820 -7.939 129 1HB ASP 80 1HB ASP 80 8.052 0.669 -10.254 130 2HB ASP 80 2HB ASP 80 9.555 1.569 -10.420 131 H HIS 81 H HIS 81 8.724 3.257 -6.554 132 HA HIS 81 HA HIS 81 10.248 5.497 -7.159 133 1HB HIS 81 1HB HIS 81 10.857 5.550 -4.806 134 2HB HIS 81 2HB HIS 81 9.166 5.092 -4.976 135 HD1 HIS 81 HD1 HIS 81 8.721 2.411 -4.763 136 HD2 HIS 81 HD2 HIS 81 12.332 3.845 -3.292 137 HE1 HIS 81 HE1 HIS 81 9.588 0.610 -3.237 138 HE2 HIS 81 HE2 HIS 81 11.818 1.462 -2.431 139 H LEU 82 H LEU 82 11.364 2.247 -6.223 140 HA LEU 82 HA LEU 82 14.091 2.745 -6.157 141 1HB LEU 82 1HB LEU 82 14.375 0.337 -6.646 142 2HB LEU 82 2HB LEU 82 13.215 0.660 -5.372 143 HG LEU 82 HG LEU 82 11.678 0.549 -7.698 144 1HD1 LEU 82 1HD1 LEU 82 13.668 -0.434 -8.820 145 2HD1 LEU 82 2HD1 LEU 82 13.602 -1.769 -7.668 146 3HD1 LEU 82 3HD1 LEU 82 12.264 -1.500 -8.787 147 1HD2 LEU 82 1HD2 LEU 82 11.075 -0.259 -5.456 148 2HD2 LEU 82 2HD2 LEU 82 10.766 -1.466 -6.706 149 3HD2 LEU 82 3HD2 LEU 82 12.179 -1.618 -5.662 150 H LEU 83 H LEU 83 11.974 2.580 -8.876 151 HA LEU 83 HA LEU 83 14.244 2.432 -10.730 152 1HB LEU 83 1HB LEU 83 11.277 2.134 -11.163 153 2HB LEU 83 2HB LEU 83 12.444 2.178 -12.469 154 HG LEU 83 HG LEU 83 12.218 0.081 -10.313 155 1HD1 LEU 83 1HD1 LEU 83 11.679 0.119 -13.267 156 2HD1 LEU 83 2HD1 LEU 83 11.933 -1.378 -12.370 157 3HD1 LEU 83 3HD1 LEU 83 10.585 -0.320 -11.955 158 1HD2 LEU 83 1HD2 LEU 83 14.287 0.412 -12.480 159 2HD2 LEU 83 2HD2 LEU 83 14.556 0.462 -10.738 160 3HD2 LEU 83 3HD2 LEU 83 14.068 -1.046 -11.512 161 H ARG 84 H ARG 84 11.832 4.565 -9.474 162 HA ARG 84 HA ARG 84 11.563 6.817 -9.679 163 1HB ARG 84 1HB ARG 84 14.220 6.460 -10.328 164 2HB ARG 84 2HB ARG 84 13.592 7.317 -11.729 165 1HG ARG 84 1HG ARG 84 12.518 8.726 -9.636 166 2HG ARG 84 2HG ARG 84 14.109 8.268 -9.026 167 1HD ARG 84 1HD ARG 84 13.804 9.421 -11.772 168 2HD ARG 84 2HD ARG 84 13.843 10.476 -10.360 169 HE ARG 84 HE ARG 84 16.016 8.594 -10.470 170 1HH1 ARG 84 1HH1 ARG 84 14.901 11.745 -11.474 171 2HH1 ARG 84 2HH1 ARG 84 16.497 12.379 -11.689 172 1HH2 ARG 84 1HH2 ARG 84 18.116 9.427 -10.750 173 2HH2 ARG 84 2HH2 ARG 84 18.323 11.064 -11.280 174 H ASP 85 H ASP 85 10.793 4.622 -11.816 175 HA ASP 85 HA ASP 85 9.745 6.560 -13.773 176 1HB ASP 85 1HB ASP 85 11.097 3.959 -14.153 177 2HB ASP 85 2HB ASP 85 9.657 4.209 -15.137 178 H CYS 86 H CYS 86 7.810 5.453 -15.002 179 HA CYS 86 HA CYS 86 5.987 4.479 -12.915 180 1HB CYS 86 1HB CYS 86 5.295 5.685 -15.599 181 2HB CYS 86 2HB CYS 86 4.170 5.288 -14.307 182 H ILE 87 H ILE 87 5.965 2.325 -12.900 183 HA ILE 87 HA ILE 87 6.049 0.868 -15.438 184 HB ILE 87 HB ILE 87 6.269 -0.209 -12.625 185 1HG1 ILE 87 1HG1 ILE 87 8.699 -0.525 -13.314 186 2HG1 ILE 87 2HG1 ILE 87 8.361 0.553 -14.664 187 1HG2 ILE 87 1HG2 ILE 87 5.441 -1.811 -14.321 188 2HG2 ILE 87 2HG2 ILE 87 6.915 -1.536 -15.252 189 3HG2 ILE 87 3HG2 ILE 87 7.008 -2.259 -13.646 190 1HD1 ILE 87 1HD1 ILE 87 7.633 1.515 -11.968 191 2HD1 ILE 87 2HD1 ILE 87 9.350 1.398 -12.351 192 3HD1 ILE 87 3HD1 ILE 87 8.291 2.389 -13.350 193 H SER 88 H SER 88 4.496 -0.645 -16.019 194 HA SER 88 HA SER 88 1.875 -0.224 -14.792 195 1HB SER 88 1HB SER 88 2.566 -0.180 -17.400 196 2HB SER 88 2HB SER 88 2.116 -1.878 -17.241 197 HG SER 88 HG SER 88 0.400 -0.289 -17.789 198 H CYS 89 H CYS 89 0.401 -2.195 -14.804 199 HA CYS 89 HA CYS 89 1.803 -4.356 -13.431 200 1HB CYS 89 1HB CYS 89 -1.096 -3.553 -13.628 201 2HB CYS 89 2HB CYS 89 -0.609 -5.097 -12.940 202 H ALA 90 H ALA 90 -0.034 -3.739 -16.334 203 HA ALA 90 HA ALA 90 -0.542 -6.443 -17.025 204 1HB ALA 90 1HB ALA 90 -1.442 -4.083 -17.955 205 2HB ALA 90 2HB ALA 90 -0.280 -4.492 -19.217 206 3HB ALA 90 3HB ALA 90 -1.594 -5.605 -18.834 207 H SER 91 H SER 91 2.100 -4.217 -17.725 208 HA SER 91 HA SER 91 3.386 -5.869 -19.641 209 1HB SER 91 1HB SER 91 5.415 -4.334 -18.744 210 2HB SER 91 2HB SER 91 4.195 -3.754 -19.879 211 HG SER 91 HG SER 91 4.376 -3.314 -17.097 212 H ILE 92 H ILE 92 3.091 -6.172 -16.283 213 HA ILE 92 HA ILE 92 5.392 -8.013 -16.233 214 HB ILE 92 HB ILE 92 5.506 -7.497 -13.746 215 1HG1 ILE 92 1HG1 ILE 92 3.889 -5.106 -14.656 216 2HG1 ILE 92 2HG1 ILE 92 3.341 -6.364 -13.553 217 1HG2 ILE 92 1HG2 ILE 92 6.294 -5.580 -15.907 218 2HG2 ILE 92 2HG2 ILE 92 6.709 -5.266 -14.222 219 3HG2 ILE 92 3HG2 ILE 92 7.293 -6.728 -15.015 220 1HD1 ILE 92 1HD1 ILE 92 5.476 -5.600 -12.201 221 2HD1 ILE 92 2HD1 ILE 92 5.192 -4.102 -13.088 222 3HD1 ILE 92 3HD1 ILE 92 3.927 -4.768 -12.055 223 H CYS 93 H CYS 93 2.477 -8.454 -16.750 224 HA CYS 93 HA CYS 93 1.203 -9.607 -14.547 225 1HB CYS 93 1HB CYS 93 0.931 -9.845 -17.500 226 2HB CYS 93 2HB CYS 93 0.172 -11.093 -16.518 227 H GLY 94 H GLY 94 1.835 -11.245 -13.320 228 1HA GLY 94 1HA GLY 94 2.167 -13.681 -13.265 229 2HA GLY 94 2HA GLY 94 3.277 -13.479 -14.611 230 H GLN 95 H GLN 95 4.813 -11.364 -13.796 231 HA GLN 95 HA GLN 95 6.014 -12.315 -11.278 232 1HB GLN 95 1HB GLN 95 7.313 -11.641 -13.900 233 2HB GLN 95 2HB GLN 95 8.213 -11.492 -12.397 234 1HG GLN 95 1HG GLN 95 8.100 -13.784 -11.966 235 2HG GLN 95 2HG GLN 95 6.802 -14.029 -13.134 236 1HE2 GLN 95 1HE2 GLN 95 9.910 -14.669 -12.621 237 2HE2 GLN 95 2HE2 GLN 95 10.507 -14.699 -14.241 238 H HIS 96 H HIS 96 4.409 -10.487 -10.671 239 HA HIS 96 HA HIS 96 5.954 -7.988 -10.552 240 1HB HIS 96 1HB HIS 96 3.760 -6.758 -10.676 241 2HB HIS 96 2HB HIS 96 4.244 -7.560 -12.167 242 HD1 HIS 96 HD1 HIS 96 2.147 -8.321 -13.237 243 HD2 HIS 96 HD2 HIS 96 2.154 -9.055 -9.151 244 HE1 HIS 96 HE1 HIS 96 0.027 -9.587 -12.778 245 HE2 HIS 96 HE2 HIS 96 -0.027 -9.858 -10.279 246 HA PRO 97 HA PRO 97 5.289 -7.809 -6.206 247 1HB PRO 97 1HB PRO 97 4.051 -5.127 -6.490 248 2HB PRO 97 2HB PRO 97 5.464 -5.621 -5.553 249 1HG PRO 97 1HG PRO 97 5.744 -4.224 -7.804 250 2HG PRO 97 2HG PRO 97 6.880 -5.522 -7.387 251 1HD PRO 97 1HD PRO 97 4.613 -5.541 -9.343 252 2HD PRO 97 2HD PRO 97 6.232 -6.261 -9.485 253 H LYS 98 H LYS 98 3.532 -7.004 -4.518 254 HA LYS 98 HA LYS 98 1.201 -8.541 -5.024 255 1HB LYS 98 1HB LYS 98 0.432 -7.615 -2.824 256 2HB LYS 98 2HB LYS 98 2.005 -8.399 -2.778 257 1HG LYS 98 1HG LYS 98 3.056 -6.522 -2.174 258 2HG LYS 98 2HG LYS 98 2.134 -5.527 -3.303 259 1HD LYS 98 1HD LYS 98 1.083 -6.558 -0.669 260 2HD LYS 98 2HD LYS 98 1.750 -4.943 -0.919 261 1HE LYS 98 1HE LYS 98 -0.112 -5.183 -2.939 262 2HE LYS 98 2HE LYS 98 -0.880 -6.005 -1.582 263 1HZ LYS 98 1HZ LYS 98 0.026 -3.817 -0.379 264 2HZ LYS 98 2HZ LYS 98 -0.245 -3.193 -1.927 265 3HZ LYS 98 3HZ LYS 98 -1.512 -3.921 -1.076 266 H GLN 99 H GLN 99 1.946 -5.134 -5.249 267 HA GLN 99 HA GLN 99 -0.641 -4.079 -5.276 268 1HB GLN 99 1HB GLN 99 0.344 -2.169 -6.485 269 2HB GLN 99 2HB GLN 99 1.321 -2.658 -5.107 270 1HG GLN 99 1HG GLN 99 2.436 -4.116 -7.116 271 2HG GLN 99 2HG GLN 99 1.957 -2.645 -7.959 272 1HE2 GLN 99 1HE2 GLN 99 3.265 -3.377 -4.740 273 2HE2 GLN 99 2HE2 GLN 99 4.572 -2.251 -4.829 274 H CYS 100 H CYS 100 1.093 -5.878 -7.674 275 HA CYS 100 HA CYS 100 -0.968 -5.272 -9.680 276 1HB CYS 100 1HB CYS 100 1.792 -6.463 -9.967 277 2HB CYS 100 2HB CYS 100 0.638 -6.344 -11.289 278 H ALA 101 H ALA 101 -0.425 -7.480 -7.329 279 HA ALA 101 HA ALA 101 -0.627 -9.992 -8.447 280 1HB ALA 101 1HB ALA 101 -0.302 -9.494 -6.038 281 2HB ALA 101 2HB ALA 101 -2.017 -9.103 -5.926 282 3HB ALA 101 3HB ALA 101 -1.510 -10.739 -6.345 283 H TYR 102 H TYR 102 -3.420 -8.234 -7.100 284 HA TYR 102 HA TYR 102 -5.435 -9.813 -8.072 285 1HB TYR 102 1HB TYR 102 -6.863 -7.745 -7.984 286 2HB TYR 102 2HB TYR 102 -5.932 -8.060 -6.523 287 HD1 TYR 102 HD1 TYR 102 -6.059 -5.978 -9.583 288 HD2 TYR 102 HD2 TYR 102 -4.365 -6.486 -5.713 289 HE1 TYR 102 HE1 TYR 102 -5.103 -3.716 -9.711 290 HE2 TYR 102 HE2 TYR 102 -3.403 -4.226 -5.832 291 HH TYR 102 HH TYR 102 -2.726 -2.627 -8.073 292 H PHE 103 H PHE 103 -3.445 -7.615 -9.864 293 HA PHE 103 HA PHE 103 -5.086 -7.048 -12.035 294 1HB PHE 103 1HB PHE 103 -2.651 -6.252 -11.381 295 2HB PHE 103 2HB PHE 103 -2.180 -7.525 -12.501 296 HD1 PHE 103 HD1 PHE 103 -4.334 -4.511 -12.235 297 HD2 PHE 103 HD2 PHE 103 -2.122 -7.106 -14.780 298 HE1 PHE 103 HE1 PHE 103 -4.722 -2.982 -14.123 299 HE2 PHE 103 HE2 PHE 103 -2.506 -5.582 -16.674 300 HZ PHE 103 HZ PHE 103 -3.807 -3.517 -16.346 301 H CYS 104 H CYS 104 -2.540 -9.581 -11.960 302 HA CYS 104 HA CYS 104 -4.173 -11.067 -13.916 303 1HB CYS 104 1HB CYS 104 -1.266 -10.450 -13.876 304 2HB CYS 104 2HB CYS 104 -1.751 -12.027 -14.487 305 H GLU 105 H GLU 105 -1.896 -11.362 -11.215 306 HA GLU 105 HA GLU 105 -2.643 -14.187 -10.975 307 1HB GLU 105 1HB GLU 105 -0.665 -14.126 -9.266 308 2HB GLU 105 2HB GLU 105 -0.347 -14.204 -10.994 309 1HG GLU 105 1HG GLU 105 0.249 -11.954 -11.102 310 2HG GLU 105 2HG GLU 105 -0.474 -11.601 -9.536 311 H ASN 106 H ASN 106 -4.362 -14.429 -9.738 312 HA ASN 106 HA ASN 106 -4.312 -14.023 -6.978 313 1HB ASN 106 1HB ASN 106 -4.837 -11.631 -8.272 314 2HB ASN 106 2HB ASN 106 -6.443 -12.220 -7.854 315 1HD2 ASN 106 1HD2 ASN 106 -3.457 -10.976 -6.683 316 2HD2 ASN 106 2HD2 ASN 106 -3.925 -10.810 -5.029 317 H LYS 107 H LYS 107 -6.334 -14.122 -9.848 318 HA LYS 107 HA LYS 107 -7.750 -16.430 -8.806 319 1HB LYS 107 1HB LYS 107 -9.969 -15.431 -9.412 320 2HB LYS 107 2HB LYS 107 -9.201 -14.699 -8.009 321 1HG LYS 107 1HG LYS 107 -9.597 -12.744 -8.982 322 2HG LYS 107 2HG LYS 107 -8.295 -13.152 -10.101 323 1HD LYS 107 1HD LYS 107 -10.147 -14.385 -11.426 324 2HD LYS 107 2HD LYS 107 -11.257 -13.396 -10.476 325 1HE LYS 107 1HE LYS 107 -10.023 -11.379 -11.251 326 2HE LYS 107 2HE LYS 107 -9.065 -12.421 -12.302 327 1HZ LYS 107 1HZ LYS 107 -11.425 -13.162 -13.106 328 2HZ LYS 107 2HZ LYS 107 -11.880 -11.641 -12.524 329 3HZ LYS 107 3HZ LYS 107 -10.699 -11.766 -13.728 330 H LEU 108 H LEU 108 -5.840 -15.731 -10.960 331 HA LEU 108 HA LEU 108 -7.368 -16.862 -13.191 332 1HB LEU 108 1HB LEU 108 -5.624 -14.417 -13.228 333 2HB LEU 108 2HB LEU 108 -5.870 -15.369 -14.680 334 HG LEU 108 HG LEU 108 -7.975 -13.898 -13.097 335 1HD1 LEU 108 1HD1 LEU 108 -6.946 -13.558 -15.911 336 2HD1 LEU 108 2HD1 LEU 108 -8.263 -12.642 -15.176 337 3HD1 LEU 108 3HD1 LEU 108 -6.622 -12.487 -14.547 338 1HD2 LEU 108 1HD2 LEU 108 -8.191 -16.014 -15.180 339 2HD2 LEU 108 2HD2 LEU 108 -9.202 -15.712 -13.767 340 3HD2 LEU 108 3HD2 LEU 108 -9.352 -14.685 -15.194 341 H ARG 109 H ARG 109 -5.349 -17.829 -11.156 342 HA ARG 109 HA ARG 109 -3.110 -18.554 -12.887 343 1HB ARG 109 1HB ARG 109 -3.563 -19.025 -9.936 344 2HB ARG 109 2HB ARG 109 -2.112 -19.485 -10.815 345 1HG ARG 109 1HG ARG 109 -2.805 -16.680 -11.162 346 2HG ARG 109 2HG ARG 109 -2.518 -17.121 -9.477 347 1HD ARG 109 1HD ARG 109 -0.436 -16.426 -10.423 348 2HD ARG 109 2HD ARG 109 -0.373 -18.174 -10.197 349 HE ARG 109 HE ARG 109 -1.213 -17.908 -12.755 350 1HH1 ARG 109 1HH1 ARG 109 1.490 -16.605 -10.975 351 2HH1 ARG 109 2HH1 ARG 109 2.523 -16.518 -12.362 352 1HH2 ARG 109 1HH2 ARG 109 0.145 -17.795 -14.582 353 2HH2 ARG 109 2HH2 ARG 109 1.759 -17.191 -14.410 Start of MODEL 17 1 1H GLY 64 1H GLY 64 -0.707 10.721 -3.804 2 2H GLY 64 2H GLY 64 -2.283 10.118 -3.697 3 3H GLY 64 3H GLY 64 -2.010 11.664 -4.327 4 1HA GLY 64 1HA GLY 64 -2.371 9.502 -5.838 5 2HA GLY 64 2HA GLY 64 -1.474 10.922 -6.355 6 H SER 65 H SER 65 0.890 10.907 -5.856 7 HA SER 65 HA SER 65 2.101 8.301 -5.489 8 1HB SER 65 1HB SER 65 3.171 9.587 -7.903 9 2HB SER 65 2HB SER 65 2.785 7.893 -7.604 10 HG SER 65 HG SER 65 0.634 8.335 -8.062 11 HA PRO 66 HA PRO 66 5.418 10.630 -3.779 12 1HB PRO 66 1HB PRO 66 7.640 9.293 -4.578 13 2HB PRO 66 2HB PRO 66 6.523 8.661 -3.365 14 1HG PRO 66 1HG PRO 66 6.723 8.006 -6.279 15 2HG PRO 66 2HG PRO 66 6.485 6.916 -4.900 16 1HD PRO 66 1HD PRO 66 4.446 7.715 -6.491 17 2HD PRO 66 2HD PRO 66 4.231 7.377 -4.761 18 H TRP 67 H TRP 67 6.238 9.709 -7.135 19 HA TRP 67 HA TRP 67 7.115 12.483 -7.572 20 1HB TRP 67 1HB TRP 67 8.423 10.003 -8.706 21 2HB TRP 67 2HB TRP 67 8.884 11.663 -9.068 22 HD1 TRP 67 HD1 TRP 67 10.154 13.034 -7.111 23 HE1 TRP 67 HE1 TRP 67 11.515 12.211 -5.084 24 HE3 TRP 67 HE3 TRP 67 8.558 8.191 -6.986 25 HZ2 TRP 67 HZ2 TRP 67 11.864 9.815 -3.625 26 HZ3 TRP 67 HZ3 TRP 67 9.451 6.691 -5.248 27 HH2 TRP 67 HH2 TRP 67 11.070 7.489 -3.602 28 H SER 68 H SER 68 4.689 12.346 -8.209 29 HA SER 68 HA SER 68 4.374 11.332 -10.939 30 1HB SER 68 1HB SER 68 2.611 10.625 -9.472 31 2HB SER 68 2HB SER 68 2.357 12.271 -8.892 32 HG SER 68 HG SER 68 1.374 11.039 -11.111 33 H LEU 69 H LEU 69 5.392 12.863 -12.182 34 HA LEU 69 HA LEU 69 4.579 15.657 -11.902 35 1HB LEU 69 1HB LEU 69 6.903 14.244 -13.002 36 2HB LEU 69 2HB LEU 69 6.350 15.578 -13.998 37 HG LEU 69 HG LEU 69 6.391 16.829 -11.630 38 1HD1 LEU 69 1HD1 LEU 69 8.496 14.681 -11.426 39 2HD1 LEU 69 2HD1 LEU 69 8.428 16.124 -10.414 40 3HD1 LEU 69 3HD1 LEU 69 7.127 14.935 -10.343 41 1HD2 LEU 69 1HD2 LEU 69 7.612 17.274 -13.851 42 2HD2 LEU 69 2HD2 LEU 69 8.322 17.901 -12.363 43 3HD2 LEU 69 3HD2 LEU 69 8.972 16.437 -13.101 44 H SER 70 H SER 70 4.633 13.044 -14.286 45 HA SER 70 HA SER 70 2.210 13.898 -15.492 46 1HB SER 70 1HB SER 70 3.554 14.133 -17.811 47 2HB SER 70 2HB SER 70 3.174 15.516 -16.786 48 HG SER 70 HG SER 70 5.267 15.787 -16.870 49 H CYS 71 H CYS 71 2.272 11.583 -14.624 50 HA CYS 71 HA CYS 71 3.300 9.736 -16.668 51 1HB CYS 71 1HB CYS 71 2.840 9.502 -13.731 52 2HB CYS 71 2HB CYS 71 2.644 8.054 -14.713 53 H ARG 72 H ARG 72 1.816 7.567 -16.451 54 HA ARG 72 HA ARG 72 -0.611 8.262 -17.737 55 1HB ARG 72 1HB ARG 72 0.295 5.607 -16.607 56 2HB ARG 72 2HB ARG 72 -1.082 5.832 -17.675 57 1HG ARG 72 1HG ARG 72 0.446 5.244 -19.230 58 2HG ARG 72 2HG ARG 72 0.788 6.975 -19.187 59 1HD ARG 72 1HD ARG 72 2.731 6.694 -17.967 60 2HD ARG 72 2HD ARG 72 2.222 5.135 -17.321 61 HE ARG 72 HE ARG 72 2.477 4.681 -19.987 62 1HH1 ARG 72 1HH1 ARG 72 4.595 5.994 -17.543 63 2HH1 ARG 72 2HH1 ARG 72 6.039 5.434 -18.316 64 1HH2 ARG 72 1HH2 ARG 72 4.376 3.945 -21.006 65 2HH2 ARG 72 2HH2 ARG 72 5.916 4.273 -20.283 66 H LYS 73 H LYS 73 -2.646 8.465 -16.992 67 HA LYS 73 HA LYS 73 -3.017 8.399 -14.098 68 1HB LYS 73 1HB LYS 73 -4.401 9.727 -16.378 69 2HB LYS 73 2HB LYS 73 -5.334 9.396 -14.925 70 1HG LYS 73 1HG LYS 73 -2.761 10.615 -14.348 71 2HG LYS 73 2HG LYS 73 -3.776 11.614 -15.390 72 1HD LYS 73 1HD LYS 73 -5.567 11.564 -13.792 73 2HD LYS 73 2HD LYS 73 -4.704 10.392 -12.793 74 1HE LYS 73 1HE LYS 73 -4.458 12.538 -11.777 75 2HE LYS 73 2HE LYS 73 -2.905 12.098 -12.488 76 1HZ LYS 73 1HZ LYS 73 -3.450 13.496 -14.401 77 2HZ LYS 73 2HZ LYS 73 -4.907 13.947 -13.669 78 3HZ LYS 73 3HZ LYS 73 -3.431 14.388 -12.965 79 H GLU 74 H GLU 74 -3.275 6.166 -16.431 80 HA GLU 74 HA GLU 74 -5.862 5.119 -16.194 81 1HB GLU 74 1HB GLU 74 -3.543 4.446 -17.568 82 2HB GLU 74 2HB GLU 74 -3.813 3.071 -16.508 83 1HG GLU 74 1HG GLU 74 -6.226 3.131 -17.392 84 2HG GLU 74 2HG GLU 74 -5.572 4.149 -18.673 85 H GLN 75 H GLN 75 -6.338 2.935 -15.192 86 HA GLN 75 HA GLN 75 -5.551 3.050 -12.387 87 1HB GLN 75 1HB GLN 75 -7.704 1.467 -13.798 88 2HB GLN 75 2HB GLN 75 -7.402 1.412 -12.066 89 1HG GLN 75 1HG GLN 75 -7.730 3.983 -12.192 90 2HG GLN 75 2HG GLN 75 -8.532 3.623 -13.720 91 1HE2 GLN 75 1HE2 GLN 75 -8.459 2.111 -10.508 92 2HE2 GLN 75 2HE2 GLN 75 -10.175 2.041 -10.314 93 H GLY 76 H GLY 76 -4.943 1.186 -15.215 94 1HA GLY 76 1HA GLY 76 -4.011 -1.124 -13.691 95 2HA GLY 76 2HA GLY 76 -4.107 -1.003 -15.440 96 H LYS 77 H LYS 77 -2.550 1.243 -13.189 97 HA LYS 77 HA LYS 77 0.077 0.363 -14.119 98 1HB LYS 77 1HB LYS 77 -0.896 3.221 -14.284 99 2HB LYS 77 2HB LYS 77 0.762 2.703 -14.559 100 1HG LYS 77 1HG LYS 77 -0.755 1.104 -16.249 101 2HG LYS 77 2HG LYS 77 -1.494 2.703 -16.358 102 1HD LYS 77 1HD LYS 77 0.749 3.659 -16.803 103 2HD LYS 77 2HD LYS 77 1.412 2.024 -16.803 104 1HE LYS 77 1HE LYS 77 -0.563 1.681 -18.570 105 2HE LYS 77 2HE LYS 77 -0.265 3.401 -18.819 106 1HZ LYS 77 1HZ LYS 77 2.128 2.802 -19.109 107 2HZ LYS 77 2HZ LYS 77 1.670 1.174 -19.118 108 3HZ LYS 77 3HZ LYS 77 1.105 2.219 -20.322 109 H PHE 78 H PHE 78 1.835 1.082 -12.779 110 HA PHE 78 HA PHE 78 1.081 2.265 -10.211 111 1HB PHE 78 1HB PHE 78 1.962 0.537 -8.894 112 2HB PHE 78 2HB PHE 78 1.068 -0.313 -10.149 113 HD1 PHE 78 HD1 PHE 78 2.689 -0.647 -12.368 114 HD2 PHE 78 HD2 PHE 78 3.915 -0.474 -8.295 115 HE1 PHE 78 HE1 PHE 78 4.706 -1.937 -12.925 116 HE2 PHE 78 HE2 PHE 78 5.938 -1.762 -8.847 117 HZ PHE 78 HZ PHE 78 6.335 -2.493 -11.165 118 H TYR 79 H TYR 79 3.167 2.575 -8.840 119 HA TYR 79 HA TYR 79 5.282 3.559 -10.641 120 1HB TYR 79 1HB TYR 79 3.882 5.295 -9.401 121 2HB TYR 79 2HB TYR 79 4.647 4.712 -7.926 122 HD1 TYR 79 HD1 TYR 79 7.314 4.588 -8.089 123 HD2 TYR 79 HD2 TYR 79 4.832 7.111 -10.452 124 HE1 TYR 79 HE1 TYR 79 9.227 6.079 -8.493 125 HE2 TYR 79 HE2 TYR 79 6.737 8.609 -10.863 126 HH TYR 79 HH TYR 79 9.681 8.362 -9.125 127 H ASP 80 H ASP 80 7.196 2.625 -10.411 128 HA ASP 80 HA ASP 80 7.710 1.050 -7.992 129 1HB ASP 80 1HB ASP 80 7.898 -0.009 -10.274 130 2HB ASP 80 2HB ASP 80 9.289 1.028 -10.569 131 H HIS 81 H HIS 81 8.775 2.072 -6.444 132 HA HIS 81 HA HIS 81 10.186 4.457 -6.711 133 1HB HIS 81 1HB HIS 81 11.173 3.824 -4.453 134 2HB HIS 81 2HB HIS 81 9.417 3.882 -4.552 135 HD1 HIS 81 HD1 HIS 81 12.266 1.540 -4.037 136 HD2 HIS 81 HD2 HIS 81 8.124 1.388 -4.326 137 HE1 HIS 81 HE1 HIS 81 11.619 -0.752 -3.231 138 HE2 HIS 81 HE2 HIS 81 9.117 -0.854 -3.508 139 H LEU 82 H LEU 82 11.509 1.162 -6.327 140 HA LEU 82 HA LEU 82 14.192 1.723 -6.428 141 1HB LEU 82 1HB LEU 82 14.555 -0.526 -7.130 142 2HB LEU 82 2HB LEU 82 13.171 -0.514 -6.054 143 HG LEU 82 HG LEU 82 12.006 -0.260 -8.540 144 1HD1 LEU 82 1HD1 LEU 82 14.257 -0.731 -9.527 145 2HD1 LEU 82 2HD1 LEU 82 14.173 -2.331 -8.790 146 3HD1 LEU 82 3HD1 LEU 82 12.985 -1.856 -10.003 147 1HD2 LEU 82 1HD2 LEU 82 12.549 -2.755 -6.935 148 2HD2 LEU 82 2HD2 LEU 82 11.190 -1.650 -6.730 149 3HD2 LEU 82 3HD2 LEU 82 11.336 -2.604 -8.206 150 H LEU 83 H LEU 83 11.887 1.844 -9.019 151 HA LEU 83 HA LEU 83 13.999 2.140 -11.020 152 1HB LEU 83 1HB LEU 83 11.006 1.875 -11.221 153 2HB LEU 83 2HB LEU 83 12.019 2.244 -12.603 154 HG LEU 83 HG LEU 83 11.963 -0.291 -10.977 155 1HD1 LEU 83 1HD1 LEU 83 11.035 0.565 -13.629 156 2HD1 LEU 83 2HD1 LEU 83 11.869 -0.989 -13.587 157 3HD1 LEU 83 3HD1 LEU 83 10.449 -0.723 -12.576 158 1HD2 LEU 83 1HD2 LEU 83 14.004 0.604 -13.006 159 2HD2 LEU 83 2HD2 LEU 83 14.286 0.180 -11.318 160 3HD2 LEU 83 3HD2 LEU 83 13.804 -1.064 -12.470 161 H ARG 84 H ARG 84 11.728 3.986 -9.187 162 HA ARG 84 HA ARG 84 11.402 6.225 -8.969 163 1HB ARG 84 1HB ARG 84 14.062 5.989 -9.963 164 2HB ARG 84 2HB ARG 84 13.301 7.350 -10.776 165 1HG ARG 84 1HG ARG 84 12.574 7.676 -8.129 166 2HG ARG 84 2HG ARG 84 14.241 7.101 -8.047 167 1HD ARG 84 1HD ARG 84 14.499 8.906 -10.006 168 2HD ARG 84 2HD ARG 84 13.148 9.627 -9.136 169 HE ARG 84 HE ARG 84 14.627 10.278 -7.538 170 1HH1 ARG 84 1HH1 ARG 84 15.993 7.543 -9.219 171 2HH1 ARG 84 2HH1 ARG 84 17.490 7.598 -8.350 172 1HH2 ARG 84 1HH2 ARG 84 16.594 10.351 -6.393 173 2HH2 ARG 84 2HH2 ARG 84 17.831 9.191 -6.744 174 H ASP 85 H ASP 85 10.463 4.521 -11.364 175 HA ASP 85 HA ASP 85 9.410 6.795 -12.902 176 1HB ASP 85 1HB ASP 85 10.754 4.323 -13.892 177 2HB ASP 85 2HB ASP 85 9.394 4.947 -14.822 178 H CYS 86 H CYS 86 7.512 5.888 -14.353 179 HA CYS 86 HA CYS 86 5.761 4.402 -12.521 180 1HB CYS 86 1HB CYS 86 4.831 5.962 -14.920 181 2HB CYS 86 2HB CYS 86 3.911 5.483 -13.498 182 H ILE 87 H ILE 87 5.426 2.345 -12.972 183 HA ILE 87 HA ILE 87 5.644 1.454 -15.773 184 HB ILE 87 HB ILE 87 6.010 -0.245 -13.308 185 1HG1 ILE 87 1HG1 ILE 87 8.479 -0.066 -14.434 186 2HG1 ILE 87 2HG1 ILE 87 7.858 1.554 -14.734 187 1HG2 ILE 87 1HG2 ILE 87 6.236 -0.706 -16.238 188 2HG2 ILE 87 2HG2 ILE 87 7.296 -1.596 -15.145 189 3HG2 ILE 87 3HG2 ILE 87 5.545 -1.736 -14.982 190 1HD1 ILE 87 1HD1 ILE 87 7.193 1.270 -12.151 191 2HD1 ILE 87 2HD1 ILE 87 8.634 0.255 -12.223 192 3HD1 ILE 87 3HD1 ILE 87 8.724 1.949 -12.706 193 H SER 88 H SER 88 4.273 -0.367 -16.398 194 HA SER 88 HA SER 88 1.602 -0.076 -15.257 195 1HB SER 88 1HB SER 88 1.207 -1.689 -17.381 196 2HB SER 88 2HB SER 88 1.266 0.069 -17.508 197 HG SER 88 HG SER 88 3.202 -0.042 -18.415 198 H CYS 89 H CYS 89 0.242 -2.046 -15.053 199 HA CYS 89 HA CYS 89 1.768 -4.134 -13.698 200 1HB CYS 89 1HB CYS 89 -1.157 -3.404 -13.727 201 2HB CYS 89 2HB CYS 89 -0.573 -4.897 -13.000 202 H ALA 90 H ALA 90 -0.704 -3.799 -16.222 203 HA ALA 90 HA ALA 90 -1.019 -6.482 -16.875 204 1HB ALA 90 1HB ALA 90 -2.230 -4.312 -17.725 205 2HB ALA 90 2HB ALA 90 -1.071 -4.445 -19.046 206 3HB ALA 90 3HB ALA 90 -2.185 -5.771 -18.716 207 H SER 91 H SER 91 1.598 -4.318 -17.568 208 HA SER 91 HA SER 91 2.718 -6.047 -19.614 209 1HB SER 91 1HB SER 91 2.858 -3.557 -19.781 210 2HB SER 91 2HB SER 91 3.920 -3.565 -18.374 211 HG SER 91 HG SER 91 4.706 -3.750 -20.792 212 H ILE 92 H ILE 92 2.555 -6.383 -16.409 213 HA ILE 92 HA ILE 92 5.173 -7.705 -16.299 214 HB ILE 92 HB ILE 92 5.313 -7.036 -13.864 215 1HG1 ILE 92 1HG1 ILE 92 3.264 -4.998 -14.761 216 2HG1 ILE 92 2HG1 ILE 92 2.990 -6.290 -13.596 217 1HG2 ILE 92 1HG2 ILE 92 6.661 -6.057 -15.729 218 2HG2 ILE 92 2HG2 ILE 92 5.490 -4.742 -15.803 219 3HG2 ILE 92 3HG2 ILE 92 6.442 -4.994 -14.339 220 1HD1 ILE 92 1HD1 ILE 92 5.250 -4.618 -12.883 221 2HD1 ILE 92 2HD1 ILE 92 3.745 -3.711 -13.023 222 3HD1 ILE 92 3HD1 ILE 92 3.843 -5.093 -11.934 223 H CYS 93 H CYS 93 2.262 -8.549 -16.607 224 HA CYS 93 HA CYS 93 1.399 -9.818 -14.261 225 1HB CYS 93 1HB CYS 93 0.795 -10.094 -17.157 226 2HB CYS 93 2HB CYS 93 0.338 -11.438 -16.114 227 H GLY 94 H GLY 94 2.380 -11.333 -13.128 228 1HA GLY 94 1HA GLY 94 3.043 -13.706 -13.123 229 2HA GLY 94 2HA GLY 94 3.973 -13.359 -14.574 230 H GLN 95 H GLN 95 5.059 -10.874 -13.712 231 HA GLN 95 HA GLN 95 6.704 -11.653 -11.403 232 1HB GLN 95 1HB GLN 95 7.841 -10.332 -13.866 233 2HB GLN 95 2HB GLN 95 8.724 -10.987 -12.495 234 1HG GLN 95 1HG GLN 95 8.699 -13.066 -13.313 235 2HG GLN 95 2HG GLN 95 7.032 -12.934 -13.871 236 1HE2 GLN 95 1HE2 GLN 95 8.188 -14.220 -15.625 237 2HE2 GLN 95 2HE2 GLN 95 8.808 -13.304 -16.953 238 H HIS 96 H HIS 96 4.837 -10.108 -10.680 239 HA HIS 96 HA HIS 96 5.959 -7.388 -10.654 240 1HB HIS 96 1HB HIS 96 3.621 -6.514 -10.643 241 2HB HIS 96 2HB HIS 96 4.070 -7.308 -12.148 242 HD1 HIS 96 HD1 HIS 96 2.560 -9.115 -12.937 243 HD2 HIS 96 HD2 HIS 96 1.966 -8.223 -8.926 244 HE1 HIS 96 HE1 HIS 96 0.555 -10.460 -12.240 245 HE2 HIS 96 HE2 HIS 96 0.155 -9.829 -9.836 246 HA PRO 97 HA PRO 97 5.485 -7.544 -6.272 247 1HB PRO 97 1HB PRO 97 4.836 -4.988 -5.647 248 2HB PRO 97 2HB PRO 97 6.451 -5.458 -6.188 249 1HG PRO 97 1HG PRO 97 4.221 -4.211 -7.745 250 2HG PRO 97 2HG PRO 97 5.955 -3.838 -7.777 251 1HD PRO 97 1HD PRO 97 4.738 -5.365 -9.662 252 2HD PRO 97 2HD PRO 97 6.432 -5.592 -9.188 253 H LYS 98 H LYS 98 3.959 -7.095 -4.454 254 HA LYS 98 HA LYS 98 1.474 -8.202 -4.850 255 1HB LYS 98 1HB LYS 98 2.649 -7.853 -2.656 256 2HB LYS 98 2HB LYS 98 2.109 -6.180 -2.702 257 1HG LYS 98 1HG LYS 98 -0.230 -7.498 -3.093 258 2HG LYS 98 2HG LYS 98 0.634 -8.622 -2.043 259 1HD LYS 98 1HD LYS 98 -0.607 -7.144 -0.641 260 2HD LYS 98 2HD LYS 98 1.094 -6.693 -0.510 261 1HE LYS 98 1HE LYS 98 0.789 -4.702 -1.561 262 2HE LYS 98 2HE LYS 98 -0.496 -5.324 -2.596 263 1HZ LYS 98 1HZ LYS 98 -1.978 -5.284 -0.655 264 2HZ LYS 98 2HZ LYS 98 -0.744 -4.590 0.271 265 3HZ LYS 98 3HZ LYS 98 -1.392 -3.745 -1.043 266 H GLN 99 H GLN 99 2.452 -4.896 -5.319 267 HA GLN 99 HA GLN 99 -0.011 -3.597 -5.181 268 1HB GLN 99 1HB GLN 99 2.450 -2.718 -5.579 269 2HB GLN 99 2HB GLN 99 1.960 -2.781 -7.267 270 1HG GLN 99 1HG GLN 99 1.370 -0.647 -6.778 271 2HG GLN 99 2HG GLN 99 -0.131 -1.470 -6.356 272 1HE2 GLN 99 1HE2 GLN 99 2.989 -0.966 -4.734 273 2HE2 GLN 99 2HE2 GLN 99 2.320 -0.335 -3.272 274 H CYS 100 H CYS 100 1.504 -5.326 -7.866 275 HA CYS 100 HA CYS 100 -0.814 -4.815 -9.569 276 1HB CYS 100 1HB CYS 100 1.835 -6.165 -10.103 277 2HB CYS 100 2HB CYS 100 0.552 -6.029 -11.297 278 H ALA 101 H ALA 101 -0.873 -6.588 -7.153 279 HA ALA 101 HA ALA 101 -1.090 -9.275 -8.123 280 1HB ALA 101 1HB ALA 101 -1.849 -7.983 -5.513 281 2HB ALA 101 2HB ALA 101 -2.073 -9.701 -5.847 282 3HB ALA 101 3HB ALA 101 -0.453 -9.006 -5.854 283 H TYR 102 H TYR 102 -3.162 -6.564 -8.113 284 HA TYR 102 HA TYR 102 -5.637 -8.027 -8.049 285 1HB TYR 102 1HB TYR 102 -6.664 -5.852 -8.609 286 2HB TYR 102 2HB TYR 102 -5.566 -5.732 -7.238 287 HD1 TYR 102 HD1 TYR 102 -5.788 -5.133 -10.900 288 HD2 TYR 102 HD2 TYR 102 -3.803 -4.189 -7.258 289 HE1 TYR 102 HE1 TYR 102 -4.572 -3.324 -12.040 290 HE2 TYR 102 HE2 TYR 102 -2.581 -2.378 -8.387 291 HH TYR 102 HH TYR 102 -2.773 -0.962 -10.335 292 H PHE 103 H PHE 103 -3.286 -7.845 -10.350 293 HA PHE 103 HA PHE 103 -5.180 -7.858 -12.594 294 1HB PHE 103 1HB PHE 103 -2.952 -6.419 -12.426 295 2HB PHE 103 2HB PHE 103 -2.228 -7.908 -13.021 296 HD1 PHE 103 HD1 PHE 103 -4.012 -8.957 -14.951 297 HD2 PHE 103 HD2 PHE 103 -3.134 -4.883 -14.097 298 HE1 PHE 103 HE1 PHE 103 -4.659 -8.342 -17.245 299 HE2 PHE 103 HE2 PHE 103 -3.781 -4.258 -16.387 300 HZ PHE 103 HZ PHE 103 -4.543 -5.990 -17.965 301 H CYS 104 H CYS 104 -2.092 -9.503 -11.904 302 HA CYS 104 HA CYS 104 -3.381 -12.061 -12.566 303 1HB CYS 104 1HB CYS 104 -0.625 -11.243 -13.507 304 2HB CYS 104 2HB CYS 104 -1.446 -12.757 -13.858 305 H GLU 105 H GLU 105 -3.461 -12.479 -10.306 306 HA GLU 105 HA GLU 105 -0.961 -13.541 -9.279 307 1HB GLU 105 1HB GLU 105 -1.962 -11.020 -8.415 308 2HB GLU 105 2HB GLU 105 -2.155 -12.159 -7.089 309 1HG GLU 105 1HG GLU 105 0.431 -12.474 -8.284 310 2HG GLU 105 2HG GLU 105 0.160 -10.785 -7.860 311 H ASN 106 H ASN 106 -1.608 -14.233 -6.785 312 HA ASN 106 HA ASN 106 -3.195 -16.496 -7.072 313 1HB ASN 106 1HB ASN 106 -3.200 -16.521 -4.542 314 2HB ASN 106 2HB ASN 106 -1.610 -16.419 -5.293 315 1HD2 ASN 106 1HD2 ASN 106 -0.447 -14.499 -5.167 316 2HD2 ASN 106 2HD2 ASN 106 -0.845 -13.257 -4.032 317 H LYS 107 H LYS 107 -4.025 -13.382 -5.559 318 HA LYS 107 HA LYS 107 -6.626 -14.025 -4.787 319 1HB LYS 107 1HB LYS 107 -7.029 -11.619 -4.698 320 2HB LYS 107 2HB LYS 107 -5.454 -12.013 -4.024 321 1HG LYS 107 1HG LYS 107 -4.530 -10.536 -5.383 322 2HG LYS 107 2HG LYS 107 -5.051 -11.504 -6.762 323 1HD LYS 107 1HD LYS 107 -6.299 -9.753 -7.360 324 2HD LYS 107 2HD LYS 107 -7.347 -10.158 -5.999 325 1HE LYS 107 1HE LYS 107 -5.819 -8.725 -4.576 326 2HE LYS 107 2HE LYS 107 -5.092 -8.167 -6.081 327 1HZ LYS 107 1HZ LYS 107 -7.410 -7.523 -6.767 328 2HZ LYS 107 2HZ LYS 107 -7.885 -7.796 -5.165 329 3HZ LYS 107 3HZ LYS 107 -6.736 -6.604 -5.516 330 H LEU 108 H LEU 108 -5.340 -13.130 -7.903 331 HA LEU 108 HA LEU 108 -8.064 -13.198 -9.020 332 1HB LEU 108 1HB LEU 108 -5.899 -11.366 -9.397 333 2HB LEU 108 2HB LEU 108 -6.233 -12.161 -10.923 334 HG LEU 108 HG LEU 108 -7.475 -10.076 -10.743 335 1HD1 LEU 108 1HD1 LEU 108 -9.151 -12.573 -10.615 336 2HD1 LEU 108 2HD1 LEU 108 -9.775 -10.992 -11.086 337 3HD1 LEU 108 3HD1 LEU 108 -8.521 -11.769 -12.052 338 1HD2 LEU 108 1HD2 LEU 108 -8.236 -11.225 -8.124 339 2HD2 LEU 108 2HD2 LEU 108 -7.934 -9.549 -8.586 340 3HD2 LEU 108 3HD2 LEU 108 -9.471 -10.313 -8.991 341 H ARG 109 H ARG 109 -7.417 -13.548 -11.688 342 HA ARG 109 HA ARG 109 -5.767 -15.925 -11.917 343 1HB ARG 109 1HB ARG 109 -8.276 -16.453 -11.248 344 2HB ARG 109 2HB ARG 109 -8.547 -16.202 -12.967 345 1HG ARG 109 1HG ARG 109 -8.224 -18.525 -12.633 346 2HG ARG 109 2HG ARG 109 -6.765 -17.903 -13.407 347 1HD ARG 109 1HD ARG 109 -6.173 -19.436 -11.627 348 2HD ARG 109 2HD ARG 109 -5.664 -17.800 -11.212 349 HE ARG 109 HE ARG 109 -8.136 -18.065 -10.077 350 1HH1 ARG 109 1HH1 ARG 109 -5.125 -19.818 -9.871 351 2HH1 ARG 109 2HH1 ARG 109 -5.391 -20.330 -8.238 352 1HH2 ARG 109 1HH2 ARG 109 -8.486 -18.737 -7.928 353 2HH2 ARG 109 2HH2 ARG 109 -7.297 -19.715 -7.135 Start of MODEL 18 1 1H GLY 64 1H GLY 64 11.878 19.437 -6.320 2 2H GLY 64 2H GLY 64 10.300 19.758 -6.838 3 3H GLY 64 3H GLY 64 11.613 20.444 -7.654 4 1HA GLY 64 1HA GLY 64 11.002 18.710 -9.042 5 2HA GLY 64 2HA GLY 64 12.357 18.072 -8.122 6 H SER 65 H SER 65 9.805 16.935 -9.430 7 HA SER 65 HA SER 65 9.059 15.263 -7.126 8 1HB SER 65 1HB SER 65 7.232 16.301 -9.304 9 2HB SER 65 2HB SER 65 6.772 15.084 -8.114 10 HG SER 65 HG SER 65 7.354 16.712 -6.503 11 HA PRO 66 HA PRO 66 10.544 12.020 -9.807 12 1HB PRO 66 1HB PRO 66 9.552 9.916 -8.372 13 2HB PRO 66 2HB PRO 66 11.025 10.787 -7.936 14 1HG PRO 66 1HG PRO 66 8.252 11.095 -6.851 15 2HG PRO 66 2HG PRO 66 9.797 11.067 -5.982 16 1HD PRO 66 1HD PRO 66 8.510 13.367 -6.519 17 2HD PRO 66 2HD PRO 66 10.283 13.263 -6.522 18 H TRP 67 H TRP 67 7.218 11.875 -8.552 19 HA TRP 67 HA TRP 67 6.367 10.841 -11.178 20 1HB TRP 67 1HB TRP 67 4.410 9.843 -9.855 21 2HB TRP 67 2HB TRP 67 5.979 9.060 -9.688 22 HD1 TRP 67 HD1 TRP 67 3.554 11.324 -7.742 23 HE1 TRP 67 HE1 TRP 67 4.105 11.134 -5.234 24 HE3 TRP 67 HE3 TRP 67 7.789 8.474 -8.052 25 HZ2 TRP 67 HZ2 TRP 67 6.072 9.934 -3.604 26 HZ3 TRP 67 HZ3 TRP 67 8.944 7.849 -5.973 27 HH2 TRP 67 HH2 TRP 67 8.103 8.565 -3.796 28 H SER 68 H SER 68 4.750 11.881 -12.205 29 HA SER 68 HA SER 68 2.775 13.459 -10.972 30 1HB SER 68 1HB SER 68 5.120 14.802 -10.883 31 2HB SER 68 2HB SER 68 4.536 15.317 -12.465 32 HG SER 68 HG SER 68 3.400 16.683 -11.342 33 H LEU 69 H LEU 69 4.771 13.806 -13.911 34 HA LEU 69 HA LEU 69 2.306 13.618 -15.502 35 1HB LEU 69 1HB LEU 69 4.968 14.908 -16.002 36 2HB LEU 69 2HB LEU 69 3.887 14.534 -17.331 37 HG LEU 69 HG LEU 69 2.127 15.907 -16.102 38 1HD1 LEU 69 1HD1 LEU 69 4.571 16.791 -14.575 39 2HD1 LEU 69 2HD1 LEU 69 2.998 17.588 -14.539 40 3HD1 LEU 69 3HD1 LEU 69 3.170 15.947 -13.916 41 1HD2 LEU 69 1HD2 LEU 69 3.310 16.687 -18.100 42 2HD2 LEU 69 2HD2 LEU 69 2.997 18.007 -16.973 43 3HD2 LEU 69 3HD2 LEU 69 4.613 17.307 -17.084 44 H SER 70 H SER 70 4.894 11.752 -14.546 45 HA SER 70 HA SER 70 5.711 10.424 -16.852 46 1HB SER 70 1HB SER 70 6.749 10.193 -14.585 47 2HB SER 70 2HB SER 70 5.381 9.186 -14.110 48 HG SER 70 HG SER 70 7.145 7.925 -14.817 49 H CYS 71 H CYS 71 2.891 9.899 -14.798 50 HA CYS 71 HA CYS 71 1.689 8.313 -16.931 51 1HB CYS 71 1HB CYS 71 2.397 7.288 -14.230 52 2HB CYS 71 2HB CYS 71 0.842 6.798 -14.895 53 H ARG 72 H ARG 72 -0.656 7.659 -16.096 54 HA ARG 72 HA ARG 72 -1.882 10.181 -15.265 55 1HB ARG 72 1HB ARG 72 -2.662 7.948 -16.999 56 2HB ARG 72 2HB ARG 72 -3.955 8.509 -15.945 57 1HG ARG 72 1HG ARG 72 -2.357 10.419 -17.611 58 2HG ARG 72 2HG ARG 72 -3.751 9.558 -18.265 59 1HD ARG 72 1HD ARG 72 -4.148 10.895 -15.664 60 2HD ARG 72 2HD ARG 72 -3.906 11.957 -17.049 61 HE ARG 72 HE ARG 72 -5.778 10.305 -17.982 62 1HH1 ARG 72 1HH1 ARG 72 -5.555 11.989 -14.929 63 2HH1 ARG 72 2HH1 ARG 72 -7.270 12.115 -14.735 64 1HH2 ARG 72 1HH2 ARG 72 -8.032 10.473 -17.724 65 2HH2 ARG 72 2HH2 ARG 72 -8.676 11.255 -16.318 66 H LYS 73 H LYS 73 -4.091 9.754 -14.069 67 HA LYS 73 HA LYS 73 -3.416 8.742 -11.506 68 1HB LYS 73 1HB LYS 73 -5.944 9.794 -12.738 69 2HB LYS 73 2HB LYS 73 -5.954 9.099 -11.123 70 1HG LYS 73 1HG LYS 73 -3.886 10.809 -10.892 71 2HG LYS 73 2HG LYS 73 -4.877 11.664 -12.075 72 1HD LYS 73 1HD LYS 73 -6.811 11.081 -10.389 73 2HD LYS 73 2HD LYS 73 -5.478 10.956 -9.240 74 1HE LYS 73 1HE LYS 73 -5.255 13.333 -10.876 75 2HE LYS 73 2HE LYS 73 -6.799 13.274 -10.028 76 1HZ LYS 73 1HZ LYS 73 -4.384 12.651 -8.503 77 2HZ LYS 73 2HZ LYS 73 -4.653 14.270 -8.917 78 3HZ LYS 73 3HZ LYS 73 -5.803 13.427 -8.008 79 H GLU 74 H GLU 74 -4.377 7.123 -14.282 80 HA GLU 74 HA GLU 74 -6.211 5.236 -13.608 81 1HB GLU 74 1HB GLU 74 -3.754 5.142 -15.302 82 2HB GLU 74 2HB GLU 74 -4.625 3.645 -14.999 83 1HG GLU 74 1HG GLU 74 -6.683 4.747 -15.859 84 2HG GLU 74 2HG GLU 74 -5.692 6.137 -16.301 85 H GLN 75 H GLN 75 -6.381 3.546 -12.265 86 HA GLN 75 HA GLN 75 -4.362 3.139 -10.271 87 1HB GLN 75 1HB GLN 75 -7.116 2.726 -10.442 88 2HB GLN 75 2HB GLN 75 -6.438 1.109 -10.321 89 1HG GLN 75 1HG GLN 75 -5.347 1.643 -8.267 90 2HG GLN 75 2HG GLN 75 -5.777 3.346 -8.424 91 1HE2 GLN 75 1HE2 GLN 75 -6.371 1.801 -6.178 92 2HE2 GLN 75 2HE2 GLN 75 -8.088 1.646 -6.055 93 H GLY 76 H GLY 76 -5.291 1.576 -13.236 94 1HA GLY 76 1HA GLY 76 -4.299 -0.990 -12.877 95 2HA GLY 76 2HA GLY 76 -4.319 -0.140 -14.414 96 H LYS 77 H LYS 77 -2.535 1.960 -13.699 97 HA LYS 77 HA LYS 77 -0.027 0.442 -13.705 98 1HB LYS 77 1HB LYS 77 -0.432 3.343 -14.437 99 2HB LYS 77 2HB LYS 77 0.981 2.350 -14.764 100 1HG LYS 77 1HG LYS 77 -0.266 1.013 -16.333 101 2HG LYS 77 2HG LYS 77 -1.752 1.879 -15.936 102 1HD LYS 77 1HD LYS 77 -1.093 3.790 -17.047 103 2HD LYS 77 2HD LYS 77 0.624 3.412 -16.894 104 1HE LYS 77 1HE LYS 77 -0.764 1.396 -18.429 105 2HE LYS 77 2HE LYS 77 -1.002 3.000 -19.120 106 1HZ LYS 77 1HZ LYS 77 1.714 2.351 -18.326 107 2HZ LYS 77 2HZ LYS 77 1.109 1.478 -19.643 108 3HZ LYS 77 3HZ LYS 77 1.152 3.168 -19.695 109 H PHE 78 H PHE 78 1.877 1.815 -12.763 110 HA PHE 78 HA PHE 78 1.214 3.430 -10.478 111 1HB PHE 78 1HB PHE 78 2.026 1.988 -8.758 112 2HB PHE 78 2HB PHE 78 0.854 1.062 -9.689 113 HD1 PHE 78 HD1 PHE 78 4.380 1.456 -8.826 114 HD2 PHE 78 HD2 PHE 78 1.553 -0.794 -11.074 115 HE1 PHE 78 HE1 PHE 78 6.060 -0.303 -9.169 116 HE2 PHE 78 HE2 PHE 78 3.233 -2.560 -11.422 117 HZ PHE 78 HZ PHE 78 5.487 -2.318 -10.467 118 H TYR 79 H TYR 79 3.234 4.000 -9.219 119 HA TYR 79 HA TYR 79 5.537 4.129 -11.052 120 1HB TYR 79 1HB TYR 79 4.256 6.298 -10.554 121 2HB TYR 79 2HB TYR 79 4.933 6.184 -8.933 122 HD1 TYR 79 HD1 TYR 79 7.588 5.753 -8.935 123 HD2 TYR 79 HD2 TYR 79 5.389 7.598 -12.075 124 HE1 TYR 79 HE1 TYR 79 9.643 6.859 -9.716 125 HE2 TYR 79 HE2 TYR 79 7.435 8.708 -12.864 126 HH TYR 79 HH TYR 79 10.011 8.174 -12.669 127 H ASP 80 H ASP 80 7.419 3.354 -10.328 128 HA ASP 80 HA ASP 80 7.581 2.617 -7.482 129 1HB ASP 80 1HB ASP 80 7.719 0.807 -9.277 130 2HB ASP 80 2HB ASP 80 9.288 1.484 -9.697 131 H HIS 81 H HIS 81 8.763 3.945 -6.299 132 HA HIS 81 HA HIS 81 10.448 5.936 -7.284 133 1HB HIS 81 1HB HIS 81 11.174 6.249 -4.975 134 2HB HIS 81 2HB HIS 81 9.433 5.999 -5.045 135 HD1 HIS 81 HD1 HIS 81 12.268 4.988 -3.167 136 HD2 HIS 81 HD2 HIS 81 8.840 3.068 -4.518 137 HE1 HIS 81 HE1 HIS 81 12.028 2.945 -1.721 138 HE2 HIS 81 HE2 HIS 81 9.986 1.761 -2.603 139 H LEU 82 H LEU 82 11.293 2.772 -5.879 140 HA LEU 82 HA LEU 82 14.058 3.021 -5.995 141 1HB LEU 82 1HB LEU 82 14.178 0.667 -5.773 142 2HB LEU 82 2HB LEU 82 12.757 1.188 -4.887 143 HG LEU 82 HG LEU 82 11.658 0.601 -7.305 144 1HD1 LEU 82 1HD1 LEU 82 14.027 -0.252 -7.909 145 2HD1 LEU 82 2HD1 LEU 82 13.602 -1.634 -6.899 146 3HD1 LEU 82 3HD1 LEU 82 12.624 -1.242 -8.314 147 1HD2 LEU 82 1HD2 LEU 82 12.079 -1.029 -4.827 148 2HD2 LEU 82 2HD2 LEU 82 10.625 -0.199 -5.381 149 3HD2 LEU 82 3HD2 LEU 82 11.163 -1.670 -6.190 150 H LEU 83 H LEU 83 11.783 2.577 -8.549 151 HA LEU 83 HA LEU 83 13.901 1.856 -10.442 152 1HB LEU 83 1HB LEU 83 10.898 1.899 -10.688 153 2HB LEU 83 2HB LEU 83 11.970 1.583 -12.038 154 HG LEU 83 HG LEU 83 11.582 -0.112 -9.575 155 1HD1 LEU 83 1HD1 LEU 83 10.793 -0.283 -12.429 156 2HD1 LEU 83 2HD1 LEU 83 11.233 -1.777 -11.601 157 3HD1 LEU 83 3HD1 LEU 83 9.921 -0.777 -10.978 158 1HD2 LEU 83 1HD2 LEU 83 13.754 -0.119 -11.625 159 2HD2 LEU 83 2HD2 LEU 83 13.856 -0.357 -9.881 160 3HD2 LEU 83 3HD2 LEU 83 13.213 -1.638 -10.910 161 H ARG 84 H ARG 84 11.874 4.478 -9.464 162 HA ARG 84 HA ARG 84 11.805 6.667 -10.072 163 1HB ARG 84 1HB ARG 84 14.401 5.757 -11.053 164 2HB ARG 84 2HB ARG 84 13.752 7.094 -11.989 165 1HG ARG 84 1HG ARG 84 14.029 8.571 -10.319 166 2HG ARG 84 2HG ARG 84 13.581 7.406 -9.072 167 1HD ARG 84 1HD ARG 84 15.792 6.341 -9.312 168 2HD ARG 84 2HD ARG 84 16.232 7.565 -10.503 169 HE ARG 84 HE ARG 84 15.523 9.037 -8.352 170 1HH1 ARG 84 1HH1 ARG 84 17.715 6.355 -8.780 171 2HH1 ARG 84 2HH1 ARG 84 18.782 6.863 -7.515 172 1HH2 ARG 84 1HH2 ARG 84 16.926 9.707 -6.688 173 2HH2 ARG 84 2HH2 ARG 84 18.335 8.767 -6.327 174 H ASP 85 H ASP 85 10.709 4.319 -11.779 175 HA ASP 85 HA ASP 85 9.896 6.023 -14.031 176 1HB ASP 85 1HB ASP 85 10.706 3.113 -14.143 177 2HB ASP 85 2HB ASP 85 9.839 3.928 -15.441 178 H CYS 86 H CYS 86 7.959 4.795 -15.192 179 HA CYS 86 HA CYS 86 6.038 4.191 -13.054 180 1HB CYS 86 1HB CYS 86 5.451 6.106 -14.446 181 2HB CYS 86 2HB CYS 86 5.574 5.117 -15.897 182 H ILE 87 H ILE 87 6.012 2.062 -12.725 183 HA ILE 87 HA ILE 87 6.181 0.224 -14.981 184 HB ILE 87 HB ILE 87 6.041 -0.411 -12.035 185 1HG1 ILE 87 1HG1 ILE 87 8.546 -0.891 -12.443 186 2HG1 ILE 87 2HG1 ILE 87 8.362 0.122 -13.871 187 1HG2 ILE 87 1HG2 ILE 87 5.379 -2.261 -13.479 188 2HG2 ILE 87 2HG2 ILE 87 6.879 -2.095 -14.391 189 3HG2 ILE 87 3HG2 ILE 87 6.925 -2.589 -12.699 190 1HD1 ILE 87 1HD1 ILE 87 7.476 1.149 -11.220 191 2HD1 ILE 87 2HD1 ILE 87 9.191 1.144 -11.635 192 3HD1 ILE 87 3HD1 ILE 87 8.043 2.030 -12.638 193 H SER 88 H SER 88 4.478 -0.739 -15.855 194 HA SER 88 HA SER 88 1.840 -0.289 -14.744 195 1HB SER 88 1HB SER 88 1.317 -1.758 -16.921 196 2HB SER 88 2HB SER 88 1.663 -0.031 -17.015 197 HG SER 88 HG SER 88 3.688 -0.462 -17.710 198 H CYS 89 H CYS 89 0.260 -2.176 -14.815 199 HA CYS 89 HA CYS 89 1.467 -4.401 -13.354 200 1HB CYS 89 1HB CYS 89 -1.381 -3.457 -13.676 201 2HB CYS 89 2HB CYS 89 -0.974 -4.983 -12.901 202 H ALA 90 H ALA 90 -0.541 -3.770 -16.193 203 HA ALA 90 HA ALA 90 -0.946 -6.485 -16.893 204 1HB ALA 90 1HB ALA 90 -2.020 -4.149 -17.722 205 2HB ALA 90 2HB ALA 90 -0.958 -4.518 -19.080 206 3HB ALA 90 3HB ALA 90 -2.191 -5.677 -18.584 207 H SER 91 H SER 91 1.580 -4.168 -17.610 208 HA SER 91 HA SER 91 2.790 -5.797 -19.650 209 1HB SER 91 1HB SER 91 3.811 -3.345 -18.200 210 2HB SER 91 2HB SER 91 4.607 -4.107 -19.577 211 HG SER 91 HG SER 91 3.138 -3.308 -20.887 212 H ILE 92 H ILE 92 2.709 -6.056 -16.327 213 HA ILE 92 HA ILE 92 5.319 -7.428 -16.300 214 HB ILE 92 HB ILE 92 5.497 -6.954 -13.916 215 1HG1 ILE 92 1HG1 ILE 92 3.035 -5.230 -14.227 216 2HG1 ILE 92 2HG1 ILE 92 3.003 -6.848 -13.542 217 1HG2 ILE 92 1HG2 ILE 92 6.323 -5.353 -15.701 218 2HG2 ILE 92 2HG2 ILE 92 4.915 -4.361 -15.321 219 3HG2 ILE 92 3HG2 ILE 92 6.125 -4.689 -14.080 220 1HD1 ILE 92 1HD1 ILE 92 4.911 -5.762 -12.014 221 2HD1 ILE 92 2HD1 ILE 92 3.971 -4.318 -12.389 222 3HD1 ILE 92 3HD1 ILE 92 3.194 -5.700 -11.616 223 H CYS 93 H CYS 93 2.640 -8.514 -16.977 224 HA CYS 93 HA CYS 93 1.459 -9.972 -14.947 225 1HB CYS 93 1HB CYS 93 1.771 -10.405 -17.881 226 2HB CYS 93 2HB CYS 93 1.170 -11.740 -16.916 227 H GLY 94 H GLY 94 1.680 -12.183 -14.279 228 1HA GLY 94 1HA GLY 94 2.831 -14.115 -13.757 229 2HA GLY 94 2HA GLY 94 4.005 -13.699 -14.995 230 H GLN 95 H GLN 95 5.226 -11.494 -14.232 231 HA GLN 95 HA GLN 95 6.264 -12.132 -11.549 232 1HB GLN 95 1HB GLN 95 7.788 -10.667 -13.694 233 2HB GLN 95 2HB GLN 95 8.418 -11.435 -12.243 234 1HG GLN 95 1HG GLN 95 8.024 -13.609 -13.132 235 2HG GLN 95 2HG GLN 95 7.132 -12.946 -14.500 236 1HE2 GLN 95 1HE2 GLN 95 10.137 -13.931 -13.340 237 2HE2 GLN 95 2HE2 GLN 95 11.109 -13.374 -14.655 238 H HIS 96 H HIS 96 4.575 -10.743 -10.678 239 HA HIS 96 HA HIS 96 5.397 -7.922 -10.739 240 1HB HIS 96 1HB HIS 96 2.883 -7.425 -10.412 241 2HB HIS 96 2HB HIS 96 3.454 -7.816 -12.028 242 HD1 HIS 96 HD1 HIS 96 3.049 -10.395 -12.761 243 HD2 HIS 96 HD2 HIS 96 0.838 -8.993 -9.535 244 HE1 HIS 96 HE1 HIS 96 1.147 -12.013 -12.499 245 HE2 HIS 96 HE2 HIS 96 -0.238 -11.086 -10.610 246 HA PRO 97 HA PRO 97 5.241 -8.120 -6.337 247 1HB PRO 97 1HB PRO 97 4.420 -5.637 -5.649 248 2HB PRO 97 2HB PRO 97 6.022 -5.951 -6.327 249 1HG PRO 97 1HG PRO 97 3.558 -4.926 -7.683 250 2HG PRO 97 2HG PRO 97 5.238 -4.381 -7.853 251 1HD PRO 97 1HD PRO 97 4.028 -6.026 -9.646 252 2HD PRO 97 2HD PRO 97 5.771 -6.075 -9.314 253 H LYS 98 H LYS 98 3.715 -7.365 -4.416 254 HA LYS 98 HA LYS 98 1.299 -8.807 -4.713 255 1HB LYS 98 1HB LYS 98 2.532 -8.570 -2.572 256 2HB LYS 98 2HB LYS 98 2.068 -6.874 -2.518 257 1HG LYS 98 1HG LYS 98 -0.356 -7.899 -2.744 258 2HG LYS 98 2HG LYS 98 0.440 -9.308 -2.040 259 1HD LYS 98 1HD LYS 98 -0.320 -8.147 -0.175 260 2HD LYS 98 2HD LYS 98 1.364 -7.635 -0.302 261 1HE LYS 98 1HE LYS 98 0.737 -5.561 -1.294 262 2HE LYS 98 2HE LYS 98 -0.933 -6.090 -1.487 263 1HZ LYS 98 1HZ LYS 98 -0.602 -6.356 1.150 264 2HZ LYS 98 2HZ LYS 98 0.414 -5.036 0.849 265 3HZ LYS 98 3HZ LYS 98 -1.218 -4.963 0.416 266 H GLN 99 H GLN 99 2.121 -5.456 -5.107 267 HA GLN 99 HA GLN 99 -0.393 -4.277 -4.767 268 1HB GLN 99 1HB GLN 99 2.011 -3.265 -5.222 269 2HB GLN 99 2HB GLN 99 1.441 -3.254 -6.886 270 1HG GLN 99 1HG GLN 99 0.061 -1.535 -6.533 271 2HG GLN 99 2HG GLN 99 -0.469 -2.154 -4.970 272 1HE2 GLN 99 1HE2 GLN 99 1.802 -2.251 -3.529 273 2HE2 GLN 99 2HE2 GLN 99 2.471 -0.670 -3.338 274 H CYS 100 H CYS 100 1.171 -5.371 -7.780 275 HA CYS 100 HA CYS 100 -1.222 -4.982 -9.319 276 1HB CYS 100 1HB CYS 100 1.411 -6.304 -9.970 277 2HB CYS 100 2HB CYS 100 0.103 -6.115 -11.131 278 H ALA 101 H ALA 101 -0.612 -7.223 -7.053 279 HA ALA 101 HA ALA 101 -1.009 -9.721 -8.121 280 1HB ALA 101 1HB ALA 101 -0.582 -9.131 -5.716 281 2HB ALA 101 2HB ALA 101 -2.306 -8.789 -5.573 282 3HB ALA 101 3HB ALA 101 -1.760 -10.416 -5.983 283 H TYR 102 H TYR 102 -3.264 -7.107 -7.926 284 HA TYR 102 HA TYR 102 -5.606 -8.748 -8.274 285 1HB TYR 102 1HB TYR 102 -6.792 -6.589 -8.479 286 2HB TYR 102 2HB TYR 102 -5.791 -6.668 -7.031 287 HD1 TYR 102 HD1 TYR 102 -5.674 -5.474 -10.567 288 HD2 TYR 102 HD2 TYR 102 -4.355 -4.907 -6.562 289 HE1 TYR 102 HE1 TYR 102 -4.561 -3.386 -11.235 290 HE2 TYR 102 HE2 TYR 102 -3.239 -2.817 -7.220 291 HH TYR 102 HH TYR 102 -3.821 -1.072 -9.541 292 H PHE 103 H PHE 103 -3.183 -7.962 -10.369 293 HA PHE 103 HA PHE 103 -4.989 -7.580 -12.645 294 1HB PHE 103 1HB PHE 103 -2.821 -6.164 -12.129 295 2HB PHE 103 2HB PHE 103 -2.023 -7.495 -12.959 296 HD1 PHE 103 HD1 PHE 103 -3.318 -8.209 -15.215 297 HD2 PHE 103 HD2 PHE 103 -3.385 -4.354 -13.413 298 HE1 PHE 103 HE1 PHE 103 -3.910 -7.210 -17.383 299 HE2 PHE 103 HE2 PHE 103 -3.977 -3.348 -15.580 300 HZ PHE 103 HZ PHE 103 -4.241 -4.776 -17.568 301 H CYS 104 H CYS 104 -1.868 -9.307 -12.343 302 HA CYS 104 HA CYS 104 -3.118 -11.532 -13.825 303 1HB CYS 104 1HB CYS 104 -0.157 -11.233 -13.795 304 2HB CYS 104 2HB CYS 104 -1.209 -11.827 -15.070 305 H GLU 105 H GLU 105 -3.373 -11.489 -11.054 306 HA GLU 105 HA GLU 105 -1.563 -13.684 -10.298 307 1HB GLU 105 1HB GLU 105 -1.652 -11.150 -9.119 308 2HB GLU 105 2HB GLU 105 -2.489 -12.208 -7.992 309 1HG GLU 105 1HG GLU 105 -0.578 -13.670 -7.879 310 2HG GLU 105 2HG GLU 105 0.257 -12.724 -9.109 311 H ASN 106 H ASN 106 -2.557 -14.439 -7.945 312 HA ASN 106 HA ASN 106 -4.460 -16.254 -8.350 313 1HB ASN 106 1HB ASN 106 -5.177 -15.841 -5.898 314 2HB ASN 106 2HB ASN 106 -3.502 -16.275 -6.223 315 1HD2 ASN 106 1HD2 ASN 106 -1.900 -14.661 -6.097 316 2HD2 ASN 106 2HD2 ASN 106 -2.159 -13.208 -5.200 317 H LYS 107 H LYS 107 -5.330 -13.010 -7.108 318 HA LYS 107 HA LYS 107 -8.119 -13.508 -7.668 319 1HB LYS 107 1HB LYS 107 -8.484 -11.253 -6.753 320 2HB LYS 107 2HB LYS 107 -7.533 -12.257 -5.669 321 1HG LYS 107 1HG LYS 107 -5.719 -10.942 -5.826 322 2HG LYS 107 2HG LYS 107 -5.976 -10.609 -7.539 323 1HD LYS 107 1HD LYS 107 -7.525 -9.378 -5.260 324 2HD LYS 107 2HD LYS 107 -6.228 -8.590 -6.161 325 1HE LYS 107 1HE LYS 107 -7.913 -7.787 -7.416 326 2HE LYS 107 2HE LYS 107 -7.847 -9.371 -8.184 327 1HZ LYS 107 1HZ LYS 107 -9.473 -9.317 -5.815 328 2HZ LYS 107 2HZ LYS 107 -10.033 -8.275 -7.023 329 3HZ LYS 107 3HZ LYS 107 -9.827 -9.921 -7.355 330 H LEU 108 H LEU 108 -9.236 -12.883 -9.406 331 HA LEU 108 HA LEU 108 -8.607 -10.655 -11.023 332 1HB LEU 108 1HB LEU 108 -7.945 -11.867 -13.075 333 2HB LEU 108 2HB LEU 108 -6.747 -11.959 -11.797 334 HG LEU 108 HG LEU 108 -8.050 -14.238 -11.286 335 1HD1 LEU 108 1HD1 LEU 108 -9.406 -13.498 -13.498 336 2HD1 LEU 108 2HD1 LEU 108 -8.115 -14.460 -14.217 337 3HD1 LEU 108 3HD1 LEU 108 -9.170 -15.172 -12.997 338 1HD2 LEU 108 1HD2 LEU 108 -5.594 -13.557 -12.198 339 2HD2 LEU 108 2HD2 LEU 108 -6.132 -15.215 -11.933 340 3HD2 LEU 108 3HD2 LEU 108 -6.198 -14.514 -13.550 341 H ARG 109 H ARG 109 -9.772 -11.055 -13.327 342 HA ARG 109 HA ARG 109 -12.202 -12.623 -12.982 343 1HB ARG 109 1HB ARG 109 -12.129 -9.838 -12.467 344 2HB ARG 109 2HB ARG 109 -12.978 -10.053 -13.992 345 1HG ARG 109 1HG ARG 109 -14.130 -11.983 -12.468 346 2HG ARG 109 2HG ARG 109 -13.792 -10.737 -11.263 347 1HD ARG 109 1HD ARG 109 -15.178 -10.172 -13.875 348 2HD ARG 109 2HD ARG 109 -16.043 -10.596 -12.399 349 HE ARG 109 HE ARG 109 -14.238 -8.406 -12.032 350 1HH1 ARG 109 1HH1 ARG 109 -17.422 -9.285 -13.158 351 2HH1 ARG 109 2HH1 ARG 109 -18.092 -7.714 -12.875 352 1HH2 ARG 109 1HH2 ARG 109 -15.118 -6.340 -11.657 353 2HH2 ARG 109 2HH2 ARG 109 -16.784 -6.042 -12.022 Start of MODEL 19 1 1H GLY 64 1H GLY 64 8.860 12.621 3.716 2 2H GLY 64 2H GLY 64 7.331 12.175 3.147 3 3H GLY 64 3H GLY 64 8.170 13.445 2.408 4 1HA GLY 64 1HA GLY 64 9.766 12.018 1.470 5 2HA GLY 64 2HA GLY 64 9.230 10.683 2.479 6 H SER 65 H SER 65 7.715 12.990 0.218 7 HA SER 65 HA SER 65 6.422 10.687 -1.088 8 1HB SER 65 1HB SER 65 4.843 12.123 0.232 9 2HB SER 65 2HB SER 65 5.248 13.464 -0.838 10 HG SER 65 HG SER 65 4.579 11.942 -2.576 11 HA PRO 66 HA PRO 66 8.859 12.685 -4.386 12 1HB PRO 66 1HB PRO 66 9.342 10.451 -5.802 13 2HB PRO 66 2HB PRO 66 10.252 10.844 -4.337 14 1HG PRO 66 1HG PRO 66 7.969 8.951 -4.697 15 2HG PRO 66 2HG PRO 66 9.458 8.740 -3.761 16 1HD PRO 66 1HD PRO 66 7.053 9.446 -2.659 17 2HD PRO 66 2HD PRO 66 8.624 9.873 -1.957 18 H TRP 67 H TRP 67 5.819 11.264 -4.276 19 HA TRP 67 HA TRP 67 5.232 11.087 -7.054 20 1HB TRP 67 1HB TRP 67 3.107 11.620 -5.008 21 2HB TRP 67 2HB TRP 67 3.045 10.589 -6.432 22 HD1 TRP 67 HD1 TRP 67 2.553 9.961 -3.116 23 HE1 TRP 67 HE1 TRP 67 3.599 7.775 -2.251 24 HE3 TRP 67 HE3 TRP 67 5.954 9.144 -6.851 25 HZ2 TRP 67 HZ2 TRP 67 5.596 5.949 -3.043 26 HZ3 TRP 67 HZ3 TRP 67 7.394 7.151 -6.717 27 HH2 TRP 67 HH2 TRP 67 7.213 5.591 -4.853 28 H SER 68 H SER 68 5.071 12.723 -8.428 29 HA SER 68 HA SER 68 3.469 14.998 -7.960 30 1HB SER 68 1HB SER 68 5.353 16.699 -8.093 31 2HB SER 68 2HB SER 68 5.204 15.843 -6.558 32 HG SER 68 HG SER 68 6.873 14.427 -7.323 33 H LEU 69 H LEU 69 6.547 14.459 -9.681 34 HA LEU 69 HA LEU 69 5.260 15.300 -12.165 35 1HB LEU 69 1HB LEU 69 7.589 15.259 -13.068 36 2HB LEU 69 2HB LEU 69 7.333 16.385 -11.750 37 HG LEU 69 HG LEU 69 8.214 13.908 -10.639 38 1HD1 LEU 69 1HD1 LEU 69 9.618 14.764 -13.116 39 2HD1 LEU 69 2HD1 LEU 69 10.579 14.179 -11.759 40 3HD1 LEU 69 3HD1 LEU 69 9.341 13.146 -12.472 41 1HD2 LEU 69 1HD2 LEU 69 9.495 16.624 -10.904 42 2HD2 LEU 69 2HD2 LEU 69 8.509 16.040 -9.564 43 3HD2 LEU 69 3HD2 LEU 69 10.092 15.327 -9.868 44 H SER 70 H SER 70 4.942 12.603 -10.779 45 HA SER 70 HA SER 70 6.216 10.574 -12.175 46 1HB SER 70 1HB SER 70 3.447 10.666 -10.965 47 2HB SER 70 2HB SER 70 4.195 9.190 -11.578 48 HG SER 70 HG SER 70 4.562 10.428 -9.214 49 H CYS 71 H CYS 71 5.092 9.024 -13.703 50 HA CYS 71 HA CYS 71 3.660 10.543 -15.782 51 1HB CYS 71 1HB CYS 71 4.739 8.696 -17.310 52 2HB CYS 71 2HB CYS 71 5.666 10.117 -16.844 53 H ARG 72 H ARG 72 1.645 9.880 -16.062 54 HA ARG 72 HA ARG 72 0.970 7.097 -15.381 55 1HB ARG 72 1HB ARG 72 -1.397 8.005 -15.240 56 2HB ARG 72 2HB ARG 72 -0.282 8.544 -13.991 57 1HG ARG 72 1HG ARG 72 -0.260 10.692 -14.738 58 2HG ARG 72 2HG ARG 72 -0.554 10.229 -16.416 59 1HD ARG 72 1HD ARG 72 -2.498 11.361 -15.544 60 2HD ARG 72 2HD ARG 72 -2.881 9.662 -15.816 61 HE ARG 72 HE ARG 72 -2.031 10.160 -13.137 62 1HH1 ARG 72 1HH1 ARG 72 -4.764 10.364 -15.297 63 2HH1 ARG 72 2HH1 ARG 72 -5.935 10.251 -14.026 64 1HH2 ARG 72 1HH2 ARG 72 -3.569 10.009 -11.466 65 2HH2 ARG 72 2HH2 ARG 72 -5.257 10.050 -11.851 66 H LYS 73 H LYS 73 1.283 6.041 -17.289 67 HA LYS 73 HA LYS 73 0.559 7.059 -19.829 68 1HB LYS 73 1HB LYS 73 1.075 4.234 -18.891 69 2HB LYS 73 2HB LYS 73 0.832 4.678 -20.575 70 1HG LYS 73 1HG LYS 73 2.808 6.411 -19.710 71 2HG LYS 73 2HG LYS 73 3.202 4.882 -18.923 72 1HD LYS 73 1HD LYS 73 3.663 3.836 -20.885 73 2HD LYS 73 2HD LYS 73 2.451 4.751 -21.782 74 1HE LYS 73 1HE LYS 73 5.165 5.726 -20.900 75 2HE LYS 73 2HE LYS 73 4.663 5.353 -22.549 76 1HZ LYS 73 1HZ LYS 73 2.868 7.130 -22.094 77 2HZ LYS 73 2HZ LYS 73 3.901 7.636 -20.853 78 3HZ LYS 73 3HZ LYS 73 4.444 7.630 -22.455 79 H GLU 74 H GLU 74 -1.150 5.227 -17.396 80 HA GLU 74 HA GLU 74 -3.661 5.756 -18.698 81 1HB GLU 74 1HB GLU 74 -2.508 3.480 -19.549 82 2HB GLU 74 2HB GLU 74 -3.320 2.868 -18.115 83 1HG GLU 74 1HG GLU 74 -5.100 4.537 -19.625 84 2HG GLU 74 2HG GLU 74 -4.408 3.286 -20.657 85 H GLN 75 H GLN 75 -5.435 4.389 -17.372 86 HA GLN 75 HA GLN 75 -5.173 5.327 -14.676 87 1HB GLN 75 1HB GLN 75 -7.320 4.127 -16.336 88 2HB GLN 75 2HB GLN 75 -7.461 3.921 -14.596 89 1HG GLN 75 1HG GLN 75 -7.480 6.274 -14.241 90 2HG GLN 75 2HG GLN 75 -7.066 6.587 -15.926 91 1HE2 GLN 75 1HE2 GLN 75 -8.910 7.901 -16.124 92 2HE2 GLN 75 2HE2 GLN 75 -10.489 7.218 -16.284 93 H GLY 76 H GLY 76 -4.777 2.285 -16.308 94 1HA GLY 76 1HA GLY 76 -4.680 0.855 -13.744 95 2HA GLY 76 2HA GLY 76 -4.762 0.108 -15.333 96 H LYS 77 H LYS 77 -2.607 2.296 -13.518 97 HA LYS 77 HA LYS 77 -0.365 0.539 -14.174 98 1HB LYS 77 1HB LYS 77 -0.683 3.373 -15.043 99 2HB LYS 77 2HB LYS 77 0.917 2.840 -14.545 100 1HG LYS 77 1HG LYS 77 1.092 2.320 -16.729 101 2HG LYS 77 2HG LYS 77 0.294 0.836 -16.204 102 1HD LYS 77 1HD LYS 77 -1.899 2.011 -16.724 103 2HD LYS 77 2HD LYS 77 -0.930 3.240 -17.537 104 1HE LYS 77 1HE LYS 77 -0.304 0.469 -18.285 105 2HE LYS 77 2HE LYS 77 -1.920 1.012 -18.733 106 1HZ LYS 77 1HZ LYS 77 -0.500 3.088 -19.541 107 2HZ LYS 77 2HZ LYS 77 0.673 1.885 -19.724 108 3HZ LYS 77 3HZ LYS 77 -0.808 1.753 -20.533 109 H PHE 78 H PHE 78 1.687 1.423 -13.000 110 HA PHE 78 HA PHE 78 0.993 2.686 -10.457 111 1HB PHE 78 1HB PHE 78 1.940 0.980 -9.109 112 2HB PHE 78 2HB PHE 78 0.872 0.160 -10.242 113 HD1 PHE 78 HD1 PHE 78 4.356 0.780 -9.303 114 HD2 PHE 78 HD2 PHE 78 1.745 -1.308 -11.933 115 HE1 PHE 78 HE1 PHE 78 6.214 -0.677 -9.983 116 HE2 PHE 78 HE2 PHE 78 3.600 -2.771 -12.618 117 HZ PHE 78 HZ PHE 78 5.839 -2.457 -11.643 118 H TYR 79 H TYR 79 2.961 3.223 -9.167 119 HA TYR 79 HA TYR 79 5.204 3.901 -10.952 120 1HB TYR 79 1HB TYR 79 3.816 5.844 -10.160 121 2HB TYR 79 2HB TYR 79 4.314 5.455 -8.517 122 HD1 TYR 79 HD1 TYR 79 6.932 5.287 -8.173 123 HD2 TYR 79 HD2 TYR 79 5.041 7.406 -11.340 124 HE1 TYR 79 HE1 TYR 79 8.955 6.655 -8.457 125 HE2 TYR 79 HE2 TYR 79 7.058 8.782 -11.632 126 HH TYR 79 HH TYR 79 9.527 8.927 -9.371 127 H ASP 80 H ASP 80 6.959 2.751 -10.491 128 HA ASP 80 HA ASP 80 7.280 1.524 -7.890 129 1HB ASP 80 1HB ASP 80 7.830 0.434 -10.148 130 2HB ASP 80 2HB ASP 80 9.278 1.429 -10.143 131 H HIS 81 H HIS 81 8.235 2.499 -6.255 132 HA HIS 81 HA HIS 81 9.518 4.990 -6.427 133 1HB HIS 81 1HB HIS 81 10.121 4.614 -4.058 134 2HB HIS 81 2HB HIS 81 8.430 4.253 -4.383 135 HD1 HIS 81 HD1 HIS 81 11.397 2.853 -2.864 136 HD2 HIS 81 HD2 HIS 81 7.964 1.350 -4.658 137 HE1 HIS 81 HE1 HIS 81 11.248 0.454 -2.127 138 HE2 HIS 81 HE2 HIS 81 9.221 -0.463 -3.310 139 H LEU 82 H LEU 82 10.894 1.743 -5.881 140 HA LEU 82 HA LEU 82 13.565 2.535 -5.684 141 1HB LEU 82 1HB LEU 82 14.079 0.168 -6.331 142 2HB LEU 82 2HB LEU 82 12.989 0.360 -4.971 143 HG LEU 82 HG LEU 82 11.317 0.175 -7.208 144 1HD1 LEU 82 1HD1 LEU 82 13.634 -0.781 -8.139 145 2HD1 LEU 82 2HD1 LEU 82 13.009 -2.240 -7.371 146 3HD1 LEU 82 3HD1 LEU 82 12.064 -1.427 -8.618 147 1HD2 LEU 82 1HD2 LEU 82 10.998 -0.706 -4.891 148 2HD2 LEU 82 2HD2 LEU 82 10.546 -1.832 -6.171 149 3HD2 LEU 82 3HD2 LEU 82 12.071 -2.040 -5.310 150 H LEU 83 H LEU 83 11.532 2.402 -8.444 151 HA LEU 83 HA LEU 83 13.838 2.396 -10.257 152 1HB LEU 83 1HB LEU 83 10.885 2.118 -10.786 153 2HB LEU 83 2HB LEU 83 12.097 2.205 -12.046 154 HG LEU 83 HG LEU 83 11.777 0.024 -9.987 155 1HD1 LEU 83 1HD1 LEU 83 11.438 0.116 -12.977 156 2HD1 LEU 83 2HD1 LEU 83 11.487 -1.374 -12.034 157 3HD1 LEU 83 3HD1 LEU 83 10.199 -0.201 -11.763 158 1HD2 LEU 83 1HD2 LEU 83 14.059 0.773 -11.708 159 2HD2 LEU 83 2HD2 LEU 83 14.030 -0.078 -10.163 160 3HD2 LEU 83 3HD2 LEU 83 13.638 -0.939 -11.652 161 H ARG 84 H ARG 84 11.380 4.445 -8.946 162 HA ARG 84 HA ARG 84 10.993 6.679 -9.121 163 1HB ARG 84 1HB ARG 84 13.771 6.401 -10.088 164 2HB ARG 84 2HB ARG 84 12.945 7.870 -10.583 165 1HG ARG 84 1HG ARG 84 13.325 8.772 -8.603 166 2HG ARG 84 2HG ARG 84 12.446 7.460 -7.816 167 1HD ARG 84 1HD ARG 84 14.680 6.147 -8.184 168 2HD ARG 84 2HD ARG 84 15.377 7.762 -8.305 169 HE ARG 84 HE ARG 84 14.399 6.466 -5.932 170 1HH1 ARG 84 1HH1 ARG 84 15.087 9.537 -7.441 171 2HH1 ARG 84 2HH1 ARG 84 15.276 10.375 -5.938 172 1HH2 ARG 84 1HH2 ARG 84 14.647 7.568 -3.955 173 2HH2 ARG 84 2HH2 ARG 84 15.029 9.258 -3.959 174 H ASP 85 H ASP 85 10.407 4.623 -11.347 175 HA ASP 85 HA ASP 85 9.652 6.616 -13.380 176 1HB ASP 85 1HB ASP 85 11.075 4.049 -13.680 177 2HB ASP 85 2HB ASP 85 9.749 4.295 -14.813 178 H CYS 86 H CYS 86 7.943 5.384 -14.921 179 HA CYS 86 HA CYS 86 5.849 4.443 -13.084 180 1HB CYS 86 1HB CYS 86 4.317 5.065 -15.056 181 2HB CYS 86 2HB CYS 86 5.038 6.376 -14.130 182 H ILE 87 H ILE 87 5.634 2.324 -13.065 183 HA ILE 87 HA ILE 87 6.009 0.828 -15.576 184 HB ILE 87 HB ILE 87 6.163 -0.282 -12.777 185 1HG1 ILE 87 1HG1 ILE 87 8.674 -0.379 -13.361 186 2HG1 ILE 87 2HG1 ILE 87 8.297 0.840 -14.573 187 1HG2 ILE 87 1HG2 ILE 87 5.617 -1.839 -14.651 188 2HG2 ILE 87 2HG2 ILE 87 7.182 -1.441 -15.360 189 3HG2 ILE 87 3HG2 ILE 87 7.102 -2.228 -13.783 190 1HD1 ILE 87 1HD1 ILE 87 7.349 1.358 -11.829 191 2HD1 ILE 87 2HD1 ILE 87 9.088 1.435 -12.106 192 3HD1 ILE 87 3HD1 ILE 87 8.001 2.465 -13.037 193 H SER 88 H SER 88 4.510 -0.753 -16.160 194 HA SER 88 HA SER 88 1.881 -0.441 -14.900 195 1HB SER 88 1HB SER 88 2.333 -1.906 -17.481 196 2HB SER 88 2HB SER 88 0.908 -1.021 -16.940 197 HG SER 88 HG SER 88 1.691 0.663 -17.898 198 H CYS 89 H CYS 89 0.491 -2.431 -14.855 199 HA CYS 89 HA CYS 89 2.035 -4.618 -13.690 200 1HB CYS 89 1HB CYS 89 -0.904 -3.932 -13.630 201 2HB CYS 89 2HB CYS 89 -0.254 -5.422 -12.956 202 H ALA 90 H ALA 90 -0.502 -4.098 -16.119 203 HA ALA 90 HA ALA 90 -0.883 -6.697 -16.971 204 1HB ALA 90 1HB ALA 90 -1.342 -4.035 -18.080 205 2HB ALA 90 2HB ALA 90 -1.116 -5.286 -19.302 206 3HB ALA 90 3HB ALA 90 -2.378 -5.461 -18.084 207 H SER 91 H SER 91 1.741 -4.498 -17.711 208 HA SER 91 HA SER 91 2.822 -6.133 -19.814 209 1HB SER 91 1HB SER 91 4.004 -3.794 -18.299 210 2HB SER 91 2HB SER 91 4.751 -4.564 -19.699 211 HG SER 91 HG SER 91 2.838 -3.999 -20.879 212 H ILE 92 H ILE 92 2.737 -6.531 -16.522 213 HA ILE 92 HA ILE 92 5.105 -8.264 -16.619 214 HB ILE 92 HB ILE 92 5.548 -7.644 -14.210 215 1HG1 ILE 92 1HG1 ILE 92 3.743 -5.331 -14.946 216 2HG1 ILE 92 2HG1 ILE 92 3.422 -6.551 -13.719 217 1HG2 ILE 92 1HG2 ILE 92 6.691 -6.766 -16.394 218 2HG2 ILE 92 2HG2 ILE 92 5.956 -5.236 -15.916 219 3HG2 ILE 92 3HG2 ILE 92 7.081 -6.050 -14.829 220 1HD1 ILE 92 1HD1 ILE 92 5.608 -5.712 -12.643 221 2HD1 ILE 92 2HD1 ILE 92 5.376 -4.296 -13.669 222 3HD1 ILE 92 3HD1 ILE 92 4.145 -4.740 -12.487 223 H CYS 93 H CYS 93 2.073 -8.599 -16.681 224 HA CYS 93 HA CYS 93 1.228 -9.746 -14.266 225 1HB CYS 93 1HB CYS 93 0.281 -9.797 -17.075 226 2HB CYS 93 2HB CYS 93 -0.292 -11.091 -16.026 227 H GLY 94 H GLY 94 1.983 -11.452 -13.253 228 1HA GLY 94 1HA GLY 94 2.147 -13.923 -13.392 229 2HA GLY 94 2HA GLY 94 3.066 -13.674 -14.869 230 H GLN 95 H GLN 95 4.595 -11.444 -13.859 231 HA GLN 95 HA GLN 95 6.120 -12.612 -11.651 232 1HB GLN 95 1HB GLN 95 7.259 -11.875 -14.349 233 2HB GLN 95 2HB GLN 95 8.247 -12.120 -12.914 234 1HG GLN 95 1HG GLN 95 8.223 -14.317 -13.187 235 2HG GLN 95 2HG GLN 95 6.464 -14.342 -13.305 236 1HE2 GLN 95 1HE2 GLN 95 9.135 -13.121 -15.306 237 2HE2 GLN 95 2HE2 GLN 95 8.599 -13.861 -16.772 238 H HIS 96 H HIS 96 4.616 -10.632 -11.034 239 HA HIS 96 HA HIS 96 6.341 -8.243 -11.063 240 1HB HIS 96 1HB HIS 96 4.223 -6.896 -10.957 241 2HB HIS 96 2HB HIS 96 4.461 -7.755 -12.477 242 HD1 HIS 96 HD1 HIS 96 2.171 -8.352 -13.227 243 HD2 HIS 96 HD2 HIS 96 2.743 -9.133 -9.187 244 HE1 HIS 96 HE1 HIS 96 0.089 -9.538 -12.469 245 HE2 HIS 96 HE2 HIS 96 0.422 -9.926 -10.003 246 HA PRO 97 HA PRO 97 6.169 -8.017 -6.671 247 1HB PRO 97 1HB PRO 97 5.042 -5.279 -6.818 248 2HB PRO 97 2HB PRO 97 6.533 -5.843 -6.059 249 1HG PRO 97 1HG PRO 97 6.585 -4.448 -8.338 250 2HG PRO 97 2HG PRO 97 7.727 -5.772 -8.040 251 1HD PRO 97 1HD PRO 97 5.270 -5.731 -9.746 252 2HD PRO 97 2HD PRO 97 6.835 -6.521 -10.036 253 H LYS 98 H LYS 98 4.723 -7.638 -4.790 254 HA LYS 98 HA LYS 98 2.230 -8.848 -5.136 255 1HB LYS 98 1HB LYS 98 1.792 -7.952 -2.781 256 2HB LYS 98 2HB LYS 98 3.182 -9.006 -2.994 257 1HG LYS 98 1HG LYS 98 4.596 -7.435 -2.312 258 2HG LYS 98 2HG LYS 98 3.874 -6.219 -3.367 259 1HD LYS 98 1HD LYS 98 2.497 -7.068 -0.845 260 2HD LYS 98 2HD LYS 98 3.792 -5.869 -0.803 261 1HE LYS 98 1HE LYS 98 1.804 -5.361 -2.879 262 2HE LYS 98 2HE LYS 98 1.129 -5.351 -1.250 263 1HZ LYS 98 1HZ LYS 98 3.618 -3.898 -1.583 264 2HZ LYS 98 2HZ LYS 98 2.284 -3.240 -2.389 265 3HZ LYS 98 3HZ LYS 98 2.227 -3.482 -0.715 266 H GLN 99 H GLN 99 3.174 -5.498 -5.287 267 HA GLN 99 HA GLN 99 0.707 -4.260 -4.852 268 1HB GLN 99 1HB GLN 99 1.633 -2.326 -5.921 269 2HB GLN 99 2HB GLN 99 2.918 -3.105 -5.009 270 1HG GLN 99 1HG GLN 99 3.404 -4.271 -7.310 271 2HG GLN 99 2HG GLN 99 2.547 -2.870 -7.950 272 1HE2 GLN 99 1HE2 GLN 99 4.871 -3.359 -5.308 273 2HE2 GLN 99 2HE2 GLN 99 5.980 -2.142 -5.832 274 H CYS 100 H CYS 100 1.981 -5.893 -7.662 275 HA CYS 100 HA CYS 100 -0.253 -5.009 -9.322 276 1HB CYS 100 1HB CYS 100 2.297 -6.503 -9.849 277 2HB CYS 100 2HB CYS 100 0.984 -6.556 -11.019 278 H ALA 101 H ALA 101 -0.578 -6.829 -6.974 279 HA ALA 101 HA ALA 101 -1.145 -9.424 -8.029 280 1HB ALA 101 1HB ALA 101 -0.483 -9.100 -5.694 281 2HB ALA 101 2HB ALA 101 -1.975 -8.207 -5.400 282 3HB ALA 101 3HB ALA 101 -2.040 -9.918 -5.823 283 H TYR 102 H TYR 102 -2.987 -6.508 -7.440 284 HA TYR 102 HA TYR 102 -5.566 -7.621 -7.612 285 1HB TYR 102 1HB TYR 102 -6.324 -5.328 -8.059 286 2HB TYR 102 2HB TYR 102 -5.164 -5.371 -6.735 287 HD1 TYR 102 HD1 TYR 102 -5.593 -4.512 -10.308 288 HD2 TYR 102 HD2 TYR 102 -3.108 -4.189 -6.869 289 HE1 TYR 102 HE1 TYR 102 -4.223 -2.827 -11.462 290 HE2 TYR 102 HE2 TYR 102 -1.733 -2.503 -8.014 291 HH TYR 102 HH TYR 102 -2.589 -0.777 -10.454 292 H PHE 103 H PHE 103 -3.185 -7.189 -10.011 293 HA PHE 103 HA PHE 103 -5.139 -7.116 -12.177 294 1HB PHE 103 1HB PHE 103 -2.828 -5.820 -12.003 295 2HB PHE 103 2HB PHE 103 -2.210 -7.315 -12.696 296 HD1 PHE 103 HD1 PHE 103 -4.260 -8.125 -14.555 297 HD2 PHE 103 HD2 PHE 103 -2.827 -4.224 -13.649 298 HE1 PHE 103 HE1 PHE 103 -4.942 -7.360 -16.792 299 HE2 PHE 103 HE2 PHE 103 -3.509 -3.449 -15.883 300 HZ PHE 103 HZ PHE 103 -4.568 -5.020 -17.458 301 H CYS 104 H CYS 104 -2.231 -9.053 -11.421 302 HA CYS 104 HA CYS 104 -3.684 -11.469 -12.187 303 1HB CYS 104 1HB CYS 104 -0.960 -10.887 -13.349 304 2HB CYS 104 2HB CYS 104 -2.029 -12.228 -13.736 305 H GLU 105 H GLU 105 -3.571 -12.263 -10.102 306 HA GLU 105 HA GLU 105 -0.967 -13.275 -9.313 307 1HB GLU 105 1HB GLU 105 -2.144 -10.982 -8.052 308 2HB GLU 105 2HB GLU 105 -2.054 -12.306 -6.899 309 1HG GLU 105 1HG GLU 105 0.296 -11.461 -8.562 310 2HG GLU 105 2HG GLU 105 -0.072 -10.736 -6.999 311 H ASN 106 H ASN 106 -1.448 -14.269 -6.892 312 HA ASN 106 HA ASN 106 -2.605 -16.677 -7.186 313 1HB ASN 106 1HB ASN 106 -3.040 -15.220 -4.592 314 2HB ASN 106 2HB ASN 106 -2.647 -16.915 -4.851 315 1HD2 ASN 106 1HD2 ASN 106 -1.423 -13.685 -4.628 316 2HD2 ASN 106 2HD2 ASN 106 0.254 -14.098 -4.568 317 H LYS 107 H LYS 107 -4.403 -14.091 -5.500 318 HA LYS 107 HA LYS 107 -6.898 -15.420 -6.237 319 1HB LYS 107 1HB LYS 107 -7.952 -13.941 -4.603 320 2HB LYS 107 2HB LYS 107 -6.590 -14.792 -3.888 321 1HG LYS 107 1HG LYS 107 -5.436 -12.903 -3.517 322 2HG LYS 107 2HG LYS 107 -5.948 -12.168 -5.038 323 1HD LYS 107 1HD LYS 107 -8.277 -12.056 -3.813 324 2HD LYS 107 2HD LYS 107 -7.269 -12.137 -2.367 325 1HE LYS 107 1HE LYS 107 -6.633 -10.187 -4.544 326 2HE LYS 107 2HE LYS 107 -7.898 -9.824 -3.370 327 1HZ LYS 107 1HZ LYS 107 -5.160 -10.607 -2.559 328 2HZ LYS 107 2HZ LYS 107 -5.598 -8.995 -2.829 329 3HZ LYS 107 3HZ LYS 107 -6.363 -9.889 -1.612 330 H LEU 108 H LEU 108 -5.906 -14.469 -8.479 331 HA LEU 108 HA LEU 108 -7.841 -12.625 -9.375 332 1HB LEU 108 1HB LEU 108 -5.696 -11.381 -8.140 333 2HB LEU 108 2HB LEU 108 -5.300 -11.280 -9.846 334 HG LEU 108 HG LEU 108 -6.466 -9.280 -9.181 335 1HD1 LEU 108 1HD1 LEU 108 -7.729 -11.187 -11.049 336 2HD1 LEU 108 2HD1 LEU 108 -8.688 -9.779 -10.589 337 3HD1 LEU 108 3HD1 LEU 108 -7.103 -9.562 -11.331 338 1HD2 LEU 108 1HD2 LEU 108 -7.627 -10.219 -7.230 339 2HD2 LEU 108 2HD2 LEU 108 -8.717 -9.317 -8.282 340 3HD2 LEU 108 3HD2 LEU 108 -8.723 -11.081 -8.310 341 H ARG 109 H ARG 109 -8.247 -13.549 -11.262 342 HA ARG 109 HA ARG 109 -6.331 -15.031 -12.744 343 1HB ARG 109 1HB ARG 109 -9.059 -14.922 -12.694 344 2HB ARG 109 2HB ARG 109 -8.709 -14.085 -14.199 345 1HG ARG 109 1HG ARG 109 -7.754 -16.844 -13.461 346 2HG ARG 109 2HG ARG 109 -9.088 -16.466 -14.554 347 1HD ARG 109 1HD ARG 109 -7.521 -16.610 -16.155 348 2HD ARG 109 2HD ARG 109 -7.090 -14.982 -15.634 349 HE ARG 109 HE ARG 109 -5.096 -15.828 -14.950 350 1HH1 ARG 109 1HH1 ARG 109 -7.433 -18.419 -14.897 351 2HH1 ARG 109 2HH1 ARG 109 -6.278 -19.619 -14.426 352 1HH2 ARG 109 1HH2 ARG 109 -3.574 -17.406 -14.329 353 2HH2 ARG 109 2HH2 ARG 109 -4.088 -19.046 -14.103 Start of MODEL 20 1 1H GLY 64 1H GLY 64 0.527 10.687 -4.114 2 2H GLY 64 2H GLY 64 0.064 10.115 -2.591 3 3H GLY 64 3H GLY 64 -0.431 9.298 -3.987 4 1HA GLY 64 1HA GLY 64 2.156 9.278 -2.630 5 2HA GLY 64 2HA GLY 64 1.284 7.955 -3.389 6 H SER 65 H SER 65 3.449 10.641 -3.898 7 HA SER 65 HA SER 65 4.534 9.366 -6.238 8 1HB SER 65 1HB SER 65 2.528 11.358 -6.582 9 2HB SER 65 2HB SER 65 4.066 12.054 -7.091 10 HG SER 65 HG SER 65 2.685 9.836 -8.113 11 HA PRO 66 HA PRO 66 7.665 11.482 -3.589 12 1HB PRO 66 1HB PRO 66 9.342 9.485 -5.005 13 2HB PRO 66 2HB PRO 66 9.262 9.869 -3.284 14 1HG PRO 66 1HG PRO 66 8.187 7.621 -4.236 15 2HG PRO 66 2HG PRO 66 7.403 8.535 -2.934 16 1HD PRO 66 1HD PRO 66 6.714 8.402 -5.841 17 2HD PRO 66 2HD PRO 66 5.640 8.471 -4.428 18 H TRP 67 H TRP 67 8.725 10.182 -6.747 19 HA TRP 67 HA TRP 67 9.843 12.819 -7.358 20 1HB TRP 67 1HB TRP 67 10.363 10.216 -8.798 21 2HB TRP 67 2HB TRP 67 11.250 11.726 -8.982 22 HD1 TRP 67 HD1 TRP 67 13.006 12.363 -7.058 23 HE1 TRP 67 HE1 TRP 67 14.153 10.936 -5.246 24 HE3 TRP 67 HE3 TRP 67 9.984 8.258 -7.238 25 HZ2 TRP 67 HZ2 TRP 67 13.816 8.396 -4.053 26 HZ3 TRP 67 HZ3 TRP 67 10.459 6.366 -5.733 27 HH2 TRP 67 HH2 TRP 67 12.338 6.437 -4.174 28 H SER 68 H SER 68 8.012 10.207 -8.935 29 HA SER 68 HA SER 68 7.404 11.530 -11.303 30 1HB SER 68 1HB SER 68 6.956 9.060 -10.519 31 2HB SER 68 2HB SER 68 5.383 9.706 -10.053 32 HG SER 68 HG SER 68 4.869 9.520 -12.070 33 H LEU 69 H LEU 69 5.858 12.946 -11.946 34 HA LEU 69 HA LEU 69 4.276 14.199 -9.816 35 1HB LEU 69 1HB LEU 69 5.500 15.159 -12.342 36 2HB LEU 69 2HB LEU 69 3.987 15.904 -11.863 37 HG LEU 69 HG LEU 69 6.433 15.775 -10.100 38 1HD1 LEU 69 1HD1 LEU 69 5.619 17.670 -12.213 39 2HD1 LEU 69 2HD1 LEU 69 6.194 18.372 -10.701 40 3HD1 LEU 69 3HD1 LEU 69 7.223 17.262 -11.607 41 1HD2 LEU 69 1HD2 LEU 69 3.680 16.818 -9.803 42 2HD2 LEU 69 2HD2 LEU 69 4.779 16.153 -8.596 43 3HD2 LEU 69 3HD2 LEU 69 4.988 17.811 -9.160 44 H SER 70 H SER 70 4.024 12.864 -13.079 45 HA SER 70 HA SER 70 1.210 12.301 -12.602 46 1HB SER 70 1HB SER 70 1.445 14.592 -13.739 47 2HB SER 70 2HB SER 70 1.989 13.699 -15.159 48 HG SER 70 HG SER 70 -0.244 14.040 -15.253 49 H CYS 71 H CYS 71 0.287 10.987 -14.458 50 HA CYS 71 HA CYS 71 2.310 9.446 -15.901 51 1HB CYS 71 1HB CYS 71 1.649 8.396 -13.607 52 2HB CYS 71 2HB CYS 71 0.151 7.967 -14.426 53 H ARG 72 H ARG 72 1.284 7.937 -17.497 54 HA ARG 72 HA ARG 72 -0.466 9.312 -19.177 55 1HB ARG 72 1HB ARG 72 -0.152 6.315 -19.178 56 2HB ARG 72 2HB ARG 72 -0.490 7.371 -20.543 57 1HG ARG 72 1HG ARG 72 1.905 8.335 -19.623 58 2HG ARG 72 2HG ARG 72 2.054 6.597 -19.355 59 1HD ARG 72 1HD ARG 72 2.891 7.076 -21.537 60 2HD ARG 72 2HD ARG 72 1.349 6.245 -21.722 61 HE ARG 72 HE ARG 72 1.883 9.075 -22.261 62 1HH1 ARG 72 1HH1 ARG 72 -0.352 6.384 -22.303 63 2HH1 ARG 72 2HH1 ARG 72 -1.473 7.178 -23.355 64 1HH2 ARG 72 1HH2 ARG 72 0.404 10.109 -23.641 65 2HH2 ARG 72 2HH2 ARG 72 -1.046 9.289 -24.114 66 H LYS 73 H LYS 73 -2.560 8.206 -20.018 67 HA LYS 73 HA LYS 73 -4.466 8.346 -17.926 68 1HB LYS 73 1HB LYS 73 -4.591 8.700 -20.598 69 2HB LYS 73 2HB LYS 73 -5.275 7.084 -20.476 70 1HG LYS 73 1HG LYS 73 -7.210 7.876 -19.737 71 2HG LYS 73 2HG LYS 73 -6.413 8.840 -18.492 72 1HD LYS 73 1HD LYS 73 -7.327 10.530 -19.717 73 2HD LYS 73 2HD LYS 73 -5.807 10.349 -20.593 74 1HE LYS 73 1HE LYS 73 -7.336 10.353 -22.317 75 2HE LYS 73 2HE LYS 73 -7.148 8.627 -22.013 76 1HZ LYS 73 1HZ LYS 73 -9.170 9.490 -20.337 77 2HZ LYS 73 2HZ LYS 73 -9.478 10.222 -21.831 78 3HZ LYS 73 3HZ LYS 73 -9.329 8.540 -21.726 79 H GLU 74 H GLU 74 -2.564 5.774 -19.106 80 HA GLU 74 HA GLU 74 -4.174 3.548 -18.845 81 1HB GLU 74 1HB GLU 74 -1.263 4.064 -18.529 82 2HB GLU 74 2HB GLU 74 -1.878 2.534 -17.921 83 1HG GLU 74 1HG GLU 74 -2.041 1.684 -19.961 84 2HG GLU 74 2HG GLU 74 -2.889 3.106 -20.566 85 H GLN 75 H GLN 75 -5.471 3.033 -17.216 86 HA GLN 75 HA GLN 75 -5.096 3.965 -14.555 87 1HB GLN 75 1HB GLN 75 -7.305 3.412 -15.685 88 2HB GLN 75 2HB GLN 75 -6.917 1.719 -15.415 89 1HG GLN 75 1HG GLN 75 -8.149 2.084 -13.558 90 2HG GLN 75 2HG GLN 75 -6.580 2.590 -12.932 91 1HE2 GLN 75 1HE2 GLN 75 -9.303 3.960 -14.754 92 2HE2 GLN 75 2HE2 GLN 75 -9.350 5.455 -13.890 93 H GLY 76 H GLY 76 -4.697 0.801 -16.117 94 1HA GLY 76 1HA GLY 76 -3.888 -0.525 -13.718 95 2HA GLY 76 2HA GLY 76 -3.732 -1.148 -15.353 96 H LYS 77 H LYS 77 -2.271 1.122 -13.055 97 HA LYS 77 HA LYS 77 0.366 0.299 -13.994 98 1HB LYS 77 1HB LYS 77 -0.650 3.134 -14.011 99 2HB LYS 77 2HB LYS 77 1.066 2.760 -13.948 100 1HG LYS 77 1HG LYS 77 0.716 1.406 -16.053 101 2HG LYS 77 2HG LYS 77 -0.884 2.144 -16.146 102 1HD LYS 77 1HD LYS 77 -0.052 4.064 -16.927 103 2HD LYS 77 2HD LYS 77 1.203 4.110 -15.686 104 1HE LYS 77 1HE LYS 77 2.584 2.601 -16.995 105 2HE LYS 77 2HE LYS 77 1.317 2.468 -18.215 106 1HZ LYS 77 1HZ LYS 77 2.243 5.155 -17.575 107 2HZ LYS 77 2HZ LYS 77 3.327 4.166 -18.417 108 3HZ LYS 77 3HZ LYS 77 1.799 4.490 -19.065 109 H PHE 78 H PHE 78 2.053 0.689 -12.487 110 HA PHE 78 HA PHE 78 1.148 1.478 -9.801 111 1HB PHE 78 1HB PHE 78 2.234 -0.334 -8.776 112 2HB PHE 78 2HB PHE 78 1.448 -1.049 -10.177 113 HD1 PHE 78 HD1 PHE 78 2.997 -1.050 -12.361 114 HD2 PHE 78 HD2 PHE 78 4.389 -0.955 -8.340 115 HE1 PHE 78 HE1 PHE 78 5.153 -1.982 -13.089 116 HE2 PHE 78 HE2 PHE 78 6.549 -1.886 -9.062 117 HZ PHE 78 HZ PHE 78 6.932 -2.401 -11.440 118 H TYR 79 H TYR 79 3.355 1.542 -8.369 119 HA TYR 79 HA TYR 79 5.180 3.296 -9.878 120 1HB TYR 79 1HB TYR 79 3.656 4.272 -8.001 121 2HB TYR 79 2HB TYR 79 4.811 3.517 -6.908 122 HD1 TYR 79 HD1 TYR 79 7.388 3.991 -7.862 123 HD2 TYR 79 HD2 TYR 79 3.997 6.532 -8.250 124 HE1 TYR 79 HE1 TYR 79 8.877 5.931 -8.095 125 HE2 TYR 79 HE2 TYR 79 5.478 8.480 -8.484 126 HH TYR 79 HH TYR 79 8.618 8.326 -9.238 127 H ASP 80 H ASP 80 7.131 2.481 -10.139 128 HA ASP 80 HA ASP 80 8.112 0.472 -8.235 129 1HB ASP 80 1HB ASP 80 7.987 0.221 -10.881 130 2HB ASP 80 2HB ASP 80 9.539 1.046 -10.793 131 H HIS 81 H HIS 81 9.014 1.627 -6.601 132 HA HIS 81 HA HIS 81 10.299 4.033 -6.642 133 1HB HIS 81 1HB HIS 81 11.409 3.375 -4.579 134 2HB HIS 81 2HB HIS 81 9.749 2.790 -4.589 135 HD1 HIS 81 HD1 HIS 81 13.013 1.701 -3.747 136 HD2 HIS 81 HD2 HIS 81 9.744 -0.087 -5.588 137 HE1 HIS 81 HE1 HIS 81 13.391 -0.776 -3.531 138 HE2 HIS 81 HE2 HIS 81 11.436 -1.837 -4.715 139 H LEU 82 H LEU 82 11.841 0.857 -7.134 140 HA LEU 82 HA LEU 82 14.470 1.678 -7.365 141 1HB LEU 82 1HB LEU 82 14.617 -0.296 -9.054 142 2HB LEU 82 2HB LEU 82 14.252 -0.609 -7.369 143 HG LEU 82 HG LEU 82 11.845 -0.199 -8.961 144 1HD1 LEU 82 1HD1 LEU 82 13.921 -2.064 -9.927 145 2HD1 LEU 82 2HD1 LEU 82 12.276 -2.694 -9.833 146 3HD1 LEU 82 3HD1 LEU 82 12.617 -1.260 -10.801 147 1HD2 LEU 82 1HD2 LEU 82 12.552 -1.426 -6.611 148 2HD2 LEU 82 2HD2 LEU 82 11.011 -1.615 -7.446 149 3HD2 LEU 82 3HD2 LEU 82 12.301 -2.790 -7.701 150 H LEU 83 H LEU 83 11.841 2.146 -9.558 151 HA LEU 83 HA LEU 83 13.663 3.108 -11.653 152 1HB LEU 83 1HB LEU 83 10.751 2.344 -11.689 153 2HB LEU 83 2HB LEU 83 11.541 3.139 -13.037 154 HG LEU 83 HG LEU 83 12.132 0.393 -11.938 155 1HD1 LEU 83 1HD1 LEU 83 10.355 1.314 -13.911 156 2HD1 LEU 83 2HD1 LEU 83 11.697 0.552 -14.762 157 3HD1 LEU 83 3HD1 LEU 83 10.800 -0.352 -13.544 158 1HD2 LEU 83 1HD2 LEU 83 13.741 2.189 -13.669 159 2HD2 LEU 83 2HD2 LEU 83 14.262 0.976 -12.500 160 3HD2 LEU 83 3HD2 LEU 83 13.678 0.477 -14.088 161 H ARG 84 H ARG 84 11.402 4.102 -9.279 162 HA ARG 84 HA ARG 84 10.659 6.106 -8.572 163 1HB ARG 84 1HB ARG 84 12.050 7.919 -8.689 164 2HB ARG 84 2HB ARG 84 13.170 6.618 -9.054 165 1HG ARG 84 1HG ARG 84 12.026 7.553 -11.495 166 2HG ARG 84 2HG ARG 84 12.609 8.932 -10.565 167 1HD ARG 84 1HD ARG 84 14.501 6.775 -10.449 168 2HD ARG 84 2HD ARG 84 14.113 7.155 -12.125 169 HE ARG 84 HE ARG 84 14.656 9.496 -10.582 170 1HH1 ARG 84 1HH1 ARG 84 16.155 6.865 -12.318 171 2HH1 ARG 84 2HH1 ARG 84 17.611 7.745 -12.643 172 1HH2 ARG 84 1HH2 ARG 84 16.569 10.655 -11.009 173 2HH2 ARG 84 2HH2 ARG 84 17.847 9.896 -11.901 174 H ASP 85 H ASP 85 9.806 4.845 -11.246 175 HA ASP 85 HA ASP 85 8.267 7.181 -12.164 176 1HB ASP 85 1HB ASP 85 9.727 5.107 -13.764 177 2HB ASP 85 2HB ASP 85 8.277 5.853 -14.428 178 H CYS 86 H CYS 86 6.405 6.205 -13.702 179 HA CYS 86 HA CYS 86 5.015 4.247 -12.010 180 1HB CYS 86 1HB CYS 86 2.948 5.102 -13.136 181 2HB CYS 86 2HB CYS 86 3.803 6.312 -12.188 182 H ILE 87 H ILE 87 5.480 2.274 -12.772 183 HA ILE 87 HA ILE 87 5.455 1.787 -15.654 184 HB ILE 87 HB ILE 87 6.174 -0.122 -13.428 185 1HG1 ILE 87 1HG1 ILE 87 8.541 0.347 -14.299 186 2HG1 ILE 87 2HG1 ILE 87 7.851 1.774 -15.064 187 1HG2 ILE 87 1HG2 ILE 87 6.428 -0.246 -16.417 188 2HG2 ILE 87 2HG2 ILE 87 7.387 -1.266 -15.345 189 3HG2 ILE 87 3HG2 ILE 87 5.627 -1.384 -15.334 190 1HD1 ILE 87 1HD1 ILE 87 7.221 1.468 -12.216 191 2HD1 ILE 87 2HD1 ILE 87 8.925 1.726 -12.590 192 3HD1 ILE 87 3HD1 ILE 87 7.718 2.893 -13.130 193 H SER 88 H SER 88 4.305 -0.092 -16.503 194 HA SER 88 HA SER 88 1.625 -0.220 -15.436 195 1HB SER 88 1HB SER 88 1.586 -1.968 -17.507 196 2HB SER 88 2HB SER 88 1.385 -0.226 -17.698 197 HG SER 88 HG SER 88 3.046 -0.450 -18.976 198 H CYS 89 H CYS 89 0.503 -2.366 -15.305 199 HA CYS 89 HA CYS 89 2.209 -4.238 -13.821 200 1HB CYS 89 1HB CYS 89 -0.782 -3.811 -13.807 201 2HB CYS 89 2HB CYS 89 0.023 -5.109 -12.933 202 H ALA 90 H ALA 90 -0.147 -4.052 -16.432 203 HA ALA 90 HA ALA 90 -0.534 -6.744 -16.961 204 1HB ALA 90 1HB ALA 90 -1.145 -4.299 -18.220 205 2HB ALA 90 2HB ALA 90 -0.384 -5.325 -19.437 206 3HB ALA 90 3HB ALA 90 -1.806 -5.897 -18.566 207 H SER 91 H SER 91 2.058 -4.606 -18.076 208 HA SER 91 HA SER 91 3.301 -6.470 -19.790 209 1HB SER 91 1HB SER 91 5.304 -4.961 -19.552 210 2HB SER 91 2HB SER 91 3.820 -4.139 -20.034 211 HG SER 91 HG SER 91 4.856 -4.276 -17.393 212 H ILE 92 H ILE 92 3.158 -6.308 -16.388 213 HA ILE 92 HA ILE 92 5.448 -8.153 -16.179 214 HB ILE 92 HB ILE 92 5.541 -7.438 -13.758 215 1HG1 ILE 92 1HG1 ILE 92 3.782 -5.206 -14.800 216 2HG1 ILE 92 2HG1 ILE 92 3.309 -6.428 -13.625 217 1HG2 ILE 92 1HG2 ILE 92 7.138 -6.676 -15.466 218 2HG2 ILE 92 2HG2 ILE 92 6.090 -5.300 -15.814 219 3HG2 ILE 92 3HG2 ILE 92 6.849 -5.453 -14.229 220 1HD1 ILE 92 1HD1 ILE 92 5.666 -5.164 -12.685 221 2HD1 ILE 92 2HD1 ILE 92 4.516 -3.918 -13.171 222 3HD1 ILE 92 3HD1 ILE 92 4.045 -5.141 -11.992 223 H CYS 93 H CYS 93 2.529 -8.693 -16.686 224 HA CYS 93 HA CYS 93 1.338 -9.754 -14.373 225 1HB CYS 93 1HB CYS 93 0.915 -10.049 -17.298 226 2HB CYS 93 2HB CYS 93 0.227 -11.297 -16.266 227 H GLY 94 H GLY 94 1.893 -11.420 -13.167 228 1HA GLY 94 1HA GLY 94 2.301 -13.796 -12.984 229 2HA GLY 94 2HA GLY 94 3.291 -13.685 -14.433 230 H GLN 95 H GLN 95 4.704 -11.309 -13.647 231 HA GLN 95 HA GLN 95 6.205 -12.240 -11.298 232 1HB GLN 95 1HB GLN 95 7.535 -11.141 -13.774 233 2HB GLN 95 2HB GLN 95 8.306 -11.879 -12.377 234 1HG GLN 95 1HG GLN 95 7.970 -13.964 -13.128 235 2HG GLN 95 2HG GLN 95 6.373 -13.590 -13.772 236 1HE2 GLN 95 1HE2 GLN 95 6.826 -11.653 -15.561 237 2HE2 GLN 95 2HE2 GLN 95 7.865 -12.208 -16.826 238 H HIS 96 H HIS 96 4.499 -10.423 -10.717 239 HA HIS 96 HA HIS 96 5.995 -7.887 -10.689 240 1HB HIS 96 1HB HIS 96 3.810 -6.693 -10.764 241 2HB HIS 96 2HB HIS 96 4.152 -7.602 -12.232 242 HD1 HIS 96 HD1 HIS 96 2.642 -9.617 -12.757 243 HD2 HIS 96 HD2 HIS 96 1.660 -7.650 -9.232 244 HE1 HIS 96 HE1 HIS 96 0.398 -10.524 -12.083 245 HE2 HIS 96 HE2 HIS 96 -0.138 -9.383 -9.903 246 HA PRO 97 HA PRO 97 5.582 -7.836 -6.307 247 1HB PRO 97 1HB PRO 97 4.879 -5.216 -5.835 248 2HB PRO 97 2HB PRO 97 6.525 -5.763 -6.161 249 1HG PRO 97 1HG PRO 97 4.532 -4.535 -8.020 250 2HG PRO 97 2HG PRO 97 6.277 -4.244 -7.895 251 1HD PRO 97 1HD PRO 97 5.240 -5.794 -9.827 252 2HD PRO 97 2HD PRO 97 6.807 -6.163 -9.079 253 H LYS 98 H LYS 98 4.010 -6.846 -4.530 254 HA LYS 98 HA LYS 98 1.500 -8.084 -4.935 255 1HB LYS 98 1HB LYS 98 2.770 -7.678 -2.734 256 2HB LYS 98 2HB LYS 98 2.057 -6.070 -2.772 257 1HG LYS 98 1HG LYS 98 0.276 -8.435 -3.069 258 2HG LYS 98 2HG LYS 98 0.908 -8.032 -1.472 259 1HD LYS 98 1HD LYS 98 -0.571 -6.110 -3.268 260 2HD LYS 98 2HD LYS 98 -1.310 -7.020 -1.950 261 1HE LYS 98 1HE LYS 98 -0.520 -5.617 -0.402 262 2HE LYS 98 2HE LYS 98 1.087 -5.590 -1.127 263 1HZ LYS 98 1HZ LYS 98 -1.129 -4.104 -2.378 264 2HZ LYS 98 2HZ LYS 98 -0.294 -3.437 -1.067 265 3HZ LYS 98 3HZ LYS 98 0.537 -3.827 -2.487 266 H GLN 99 H GLN 99 2.557 -4.718 -5.019 267 HA GLN 99 HA GLN 99 0.135 -3.404 -5.039 268 1HB GLN 99 1HB GLN 99 1.338 -1.724 -6.563 269 2HB GLN 99 2HB GLN 99 2.039 -2.043 -4.983 270 1HG GLN 99 1HG GLN 99 3.213 -3.903 -6.701 271 2HG GLN 99 2HG GLN 99 3.178 -2.385 -7.597 272 1HE2 GLN 99 1HE2 GLN 99 3.709 -3.297 -4.205 273 2HE2 GLN 99 2HE2 GLN 99 5.186 -2.422 -4.023 274 H CYS 100 H CYS 100 1.713 -5.133 -7.662 275 HA CYS 100 HA CYS 100 -0.390 -4.377 -9.538 276 1HB CYS 100 1HB CYS 100 2.229 -5.828 -9.787 277 2HB CYS 100 2HB CYS 100 1.026 -5.935 -11.067 278 H ALA 101 H ALA 101 -0.523 -6.343 -7.104 279 HA ALA 101 HA ALA 101 -1.102 -8.894 -8.198 280 1HB ALA 101 1HB ALA 101 -0.477 -8.464 -5.827 281 2HB ALA 101 2HB ALA 101 -2.078 -7.765 -5.580 282 3HB ALA 101 3HB ALA 101 -1.917 -9.466 -6.018 283 H TYR 102 H TYR 102 -2.865 -5.974 -8.149 284 HA TYR 102 HA TYR 102 -5.484 -7.164 -8.181 285 1HB TYR 102 1HB TYR 102 -6.288 -4.902 -8.608 286 2HB TYR 102 2HB TYR 102 -5.113 -4.896 -7.295 287 HD1 TYR 102 HD1 TYR 102 -5.449 -4.262 -10.947 288 HD2 TYR 102 HD2 TYR 102 -3.255 -3.482 -7.387 289 HE1 TYR 102 HE1 TYR 102 -4.142 -2.551 -12.135 290 HE2 TYR 102 HE2 TYR 102 -1.942 -1.768 -8.563 291 HH TYR 102 HH TYR 102 -2.805 -0.371 -11.335 292 H PHE 103 H PHE 103 -3.085 -7.185 -10.430 293 HA PHE 103 HA PHE 103 -4.915 -6.896 -12.706 294 1HB PHE 103 1HB PHE 103 -2.535 -5.756 -12.469 295 2HB PHE 103 2HB PHE 103 -1.983 -7.313 -13.076 296 HD1 PHE 103 HD1 PHE 103 -3.617 -8.152 -15.123 297 HD2 PHE 103 HD2 PHE 103 -2.709 -4.134 -14.057 298 HE1 PHE 103 HE1 PHE 103 -4.127 -7.433 -17.420 299 HE2 PHE 103 HE2 PHE 103 -3.217 -3.406 -16.353 300 HZ PHE 103 HZ PHE 103 -3.927 -5.057 -18.037 301 H CYS 104 H CYS 104 -2.089 -8.964 -12.012 302 HA CYS 104 HA CYS 104 -3.682 -11.278 -12.897 303 1HB CYS 104 1HB CYS 104 -0.802 -10.659 -13.580 304 2HB CYS 104 2HB CYS 104 -1.588 -12.199 -13.906 305 H GLU 105 H GLU 105 -4.002 -11.472 -10.526 306 HA GLU 105 HA GLU 105 -2.027 -13.275 -9.436 307 1HB GLU 105 1HB GLU 105 -2.176 -10.503 -8.581 308 2HB GLU 105 2HB GLU 105 -2.460 -11.608 -7.243 309 1HG GLU 105 1HG GLU 105 -0.099 -11.799 -9.094 310 2HG GLU 105 2HG GLU 105 -0.085 -10.918 -7.567 311 H ASN 106 H ASN 106 -2.841 -13.579 -6.906 312 HA ASN 106 HA ASN 106 -5.076 -15.167 -7.026 313 1HB ASN 106 1HB ASN 106 -5.177 -14.938 -4.541 314 2HB ASN 106 2HB ASN 106 -3.563 -15.291 -5.152 315 1HD2 ASN 106 1HD2 ASN 106 -1.988 -13.671 -5.115 316 2HD2 ASN 106 2HD2 ASN 106 -2.145 -12.273 -4.112 317 H LYS 107 H LYS 107 -4.921 -11.706 -6.585 318 HA LYS 107 HA LYS 107 -7.493 -11.253 -5.574 319 1HB LYS 107 1HB LYS 107 -5.487 -9.620 -7.046 320 2HB LYS 107 2HB LYS 107 -7.129 -9.000 -6.940 321 1HG LYS 107 1HG LYS 107 -6.138 -9.944 -4.380 322 2HG LYS 107 2HG LYS 107 -5.128 -8.673 -5.073 323 1HD LYS 107 1HD LYS 107 -8.120 -8.511 -4.711 324 2HD LYS 107 2HD LYS 107 -6.927 -7.786 -3.631 325 1HE LYS 107 1HE LYS 107 -6.043 -6.579 -5.698 326 2HE LYS 107 2HE LYS 107 -7.535 -7.084 -6.490 327 1HZ LYS 107 1HZ LYS 107 -7.459 -5.538 -3.957 328 2HZ LYS 107 2HZ LYS 107 -7.612 -4.829 -5.486 329 3HZ LYS 107 3HZ LYS 107 -8.815 -5.873 -4.913 330 H LEU 108 H LEU 108 -6.629 -10.292 -8.878 331 HA LEU 108 HA LEU 108 -9.338 -10.842 -9.741 332 1HB LEU 108 1HB LEU 108 -7.051 -9.295 -10.726 333 2HB LEU 108 2HB LEU 108 -7.956 -10.101 -11.994 334 HG LEU 108 HG LEU 108 -8.724 -7.797 -11.623 335 1HD1 LEU 108 1HD1 LEU 108 -10.243 -9.971 -12.082 336 2HD1 LEU 108 2HD1 LEU 108 -11.022 -9.347 -10.628 337 3HD1 LEU 108 3HD1 LEU 108 -10.870 -8.323 -12.056 338 1HD2 LEU 108 1HD2 LEU 108 -8.281 -8.216 -9.005 339 2HD2 LEU 108 2HD2 LEU 108 -9.344 -6.951 -9.623 340 3HD2 LEU 108 3HD2 LEU 108 -10.024 -8.480 -9.065 341 H ARG 109 H ARG 109 -9.683 -11.970 -11.860 342 HA ARG 109 HA ARG 109 -8.630 -14.601 -11.710 343 1HB ARG 109 1HB ARG 109 -10.765 -13.284 -13.048 344 2HB ARG 109 2HB ARG 109 -9.825 -14.136 -14.264 345 1HG ARG 109 1HG ARG 109 -10.019 -16.193 -12.873 346 2HG ARG 109 2HG ARG 109 -11.115 -15.306 -11.812 347 1HD ARG 109 1HD ARG 109 -12.264 -14.801 -14.188 348 2HD ARG 109 2HD ARG 109 -11.548 -16.376 -14.532 349 HE ARG 109 HE ARG 109 -13.206 -17.300 -13.283 350 1HH1 ARG 109 1HH1 ARG 109 -12.747 -14.017 -12.193 351 2HH1 ARG 109 2HH1 ARG 109 -14.039 -14.086 -11.042 352 1HH2 ARG 109 1HH2 ARG 109 -14.906 -17.394 -11.770 353 2HH2 ARG 109 2HH2 ARG 109 -15.265 -16.003 -10.801
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