NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
5180 | 1gjx | 5067 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 H1 ALA 1 -12.391 3.999 -12.491 2 H2 ALA 1 H2 ALA 1 -13.591 3.078 -13.303 3 H3 ALA 1 H3 ALA 1 -13.966 4.644 -12.713 4 HA ALA 1 HA ALA 1 -14.123 3.994 -10.604 5 1HB ALA 1 1HB ALA 1 -15.241 2.191 -12.521 6 2HB ALA 1 2HB ALA 1 -15.890 2.704 -10.963 7 3HB ALA 1 3HB ALA 1 -14.819 1.306 -11.055 8 H LEU 2 H LEU 2 -13.718 2.256 -8.911 9 HA LEU 2 HA LEU 2 -12.207 1.160 -7.610 10 1HB LEU 2 1HB LEU 2 -11.365 0.047 -10.288 11 2HB LEU 2 2HB LEU 2 -10.842 -0.584 -8.737 12 HG LEU 2 HG LEU 2 -13.678 -0.506 -8.699 13 1HD1 LEU 2 1HD1 LEU 2 -12.537 -1.175 -11.321 14 2HD1 LEU 2 2HD1 LEU 2 -13.671 -2.359 -10.671 15 3HD1 LEU 2 3HD1 LEU 2 -14.173 -0.682 -10.882 16 1HD2 LEU 2 1HD2 LEU 2 -11.878 -2.067 -7.644 17 2HD2 LEU 2 2HD2 LEU 2 -13.468 -2.710 -8.059 18 3HD2 LEU 2 3HD2 LEU 2 -12.093 -3.000 -9.126 19 H VAL 3 H VAL 3 -9.758 0.719 -7.323 20 HA VAL 3 HA VAL 3 -8.066 2.679 -8.646 21 HB VAL 3 HB VAL 3 -8.854 2.853 -5.754 22 1HG1 VAL 3 1HG1 VAL 3 -6.409 2.651 -5.718 23 2HG1 VAL 3 2HG1 VAL 3 -6.288 3.977 -6.877 24 3HG1 VAL 3 3HG1 VAL 3 -6.936 4.274 -5.265 25 1HG2 VAL 3 1HG2 VAL 3 -8.773 4.648 -8.118 26 2HG2 VAL 3 2HG2 VAL 3 -10.034 4.428 -6.905 27 3HG2 VAL 3 3HG2 VAL 3 -8.590 5.360 -6.514 28 H GLU 4 H GLU 4 -5.789 2.458 -8.022 29 HA GLU 4 HA GLU 4 -5.097 -0.149 -6.872 30 1HB GLU 4 1HB GLU 4 -3.173 0.190 -8.816 31 2HB GLU 4 2HB GLU 4 -4.544 -0.904 -8.914 32 1HG GLU 4 1HG GLU 4 -5.825 1.005 -9.964 33 2HG GLU 4 2HG GLU 4 -4.280 1.846 -10.090 34 H LEU 5 H LEU 5 -4.041 0.421 -5.073 35 HA LEU 5 HA LEU 5 -2.776 2.816 -4.552 36 1HB LEU 5 1HB LEU 5 -2.987 0.260 -3.280 37 2HB LEU 5 2HB LEU 5 -1.338 0.831 -3.140 38 HG LEU 5 HG LEU 5 -2.679 1.480 -1.204 39 1HD1 LEU 5 1HD1 LEU 5 -1.758 3.699 -3.014 40 2HD1 LEU 5 2HD1 LEU 5 -2.266 3.963 -1.346 41 3HD1 LEU 5 3HD1 LEU 5 -0.876 2.933 -1.692 42 1HD2 LEU 5 1HD2 LEU 5 -4.725 1.814 -2.964 43 2HD2 LEU 5 2HD2 LEU 5 -4.707 2.436 -1.313 44 3HD2 LEU 5 3HD2 LEU 5 -4.252 3.486 -2.654 45 H LYS 6 H LYS 6 -0.270 2.637 -3.778 46 HA LYS 6 HA LYS 6 1.469 1.368 -5.652 47 1HB LYS 6 1HB LYS 6 0.787 4.271 -5.972 48 2HB LYS 6 2HB LYS 6 2.384 3.685 -6.414 49 1HG LYS 6 1HG LYS 6 0.800 1.880 -7.676 50 2HG LYS 6 2HG LYS 6 -0.195 3.336 -7.759 51 1HD LYS 6 1HD LYS 6 2.341 4.234 -8.400 52 2HD LYS 6 2HD LYS 6 2.240 2.661 -9.192 53 1HE LYS 6 1HE LYS 6 1.147 3.701 -10.835 54 2HE LYS 6 2HE LYS 6 -0.213 3.815 -9.719 55 1HZ LYS 6 1HZ LYS 6 1.803 5.880 -9.441 56 2HZ LYS 6 2HZ LYS 6 0.929 5.919 -10.888 57 3HZ LYS 6 3HZ LYS 6 0.115 6.001 -9.408 58 H VAL 7 H VAL 7 3.574 1.370 -4.968 59 HA VAL 7 HA VAL 7 4.160 1.657 -2.304 60 HB VAL 7 HB VAL 7 6.115 1.934 -4.593 61 1HG1 VAL 7 1HG1 VAL 7 6.937 2.703 -2.361 62 2HG1 VAL 7 2HG1 VAL 7 6.664 1.067 -1.767 63 3HG1 VAL 7 3HG1 VAL 7 7.836 1.353 -3.054 64 1HG2 VAL 7 1HG2 VAL 7 4.745 -0.123 -4.656 65 2HG2 VAL 7 2HG2 VAL 7 6.456 -0.443 -4.382 66 3HG2 VAL 7 3HG2 VAL 7 5.319 -0.521 -3.038 67 HA PRO 8 HA PRO 8 4.439 6.035 -1.689 68 1HB PRO 8 1HB PRO 8 5.745 6.059 0.683 69 2HB PRO 8 2HB PRO 8 4.039 5.626 0.529 70 1HG PRO 8 1HG PRO 8 6.424 3.852 0.826 71 2HG PRO 8 2HG PRO 8 4.812 3.698 1.546 72 1HD PRO 8 1HD PRO 8 5.638 2.269 -0.632 73 2HD PRO 8 2HD PRO 8 3.942 2.683 -0.316 74 H ASP 9 H ASP 9 6.335 7.467 -0.501 75 HA ASP 9 HA ASP 9 8.573 7.257 -2.360 76 1HB ASP 9 1HB ASP 9 7.171 9.404 -0.964 77 2HB ASP 9 2HB ASP 9 8.924 9.573 -0.892 78 H ILE 10 H ILE 10 9.268 5.325 -0.998 79 HA ILE 10 HA ILE 10 10.200 5.562 1.610 80 HB ILE 10 HB ILE 10 11.945 3.764 0.785 81 1HG1 ILE 10 1HG1 ILE 10 11.316 2.575 -1.184 82 2HG1 ILE 10 2HG1 ILE 10 9.837 3.513 -1.362 83 1HG2 ILE 10 1HG2 ILE 10 10.092 3.349 2.294 84 2HG2 ILE 10 2HG2 ILE 10 8.978 3.272 0.926 85 3HG2 ILE 10 3HG2 ILE 10 10.234 2.048 1.111 86 1HD1 ILE 10 1HD1 ILE 10 12.478 4.887 -1.483 87 2HD1 ILE 10 2HD1 ILE 10 11.882 3.992 -2.881 88 3HD1 ILE 10 3HD1 ILE 10 10.941 5.332 -2.226 89 H GLY 11 H GLY 11 11.485 6.923 -1.268 90 1HA GLY 11 1HA GLY 11 13.863 7.774 0.257 91 2HA GLY 11 2HA GLY 11 13.068 8.748 -0.970 92 H GLY 12 H GLY 12 14.299 5.401 -0.852 93 1HA GLY 12 1HA GLY 12 15.773 4.294 -2.217 94 2HA GLY 12 2HA GLY 12 16.471 5.863 -2.586 95 H HIS 13 H HIS 13 14.097 3.478 -3.538 96 HA HIS 13 HA HIS 13 12.872 4.745 -5.663 97 1HB HIS 13 1HB HIS 13 14.387 3.464 -7.475 98 2HB HIS 13 2HB HIS 13 14.670 5.135 -7.005 99 HD1 HIS 13 HD1 HIS 13 15.681 2.446 -4.631 100 HD2 HIS 13 HD2 HIS 13 17.416 4.816 -7.571 101 HE1 HIS 13 HE1 HIS 13 18.163 2.179 -4.332 102 HE2 HIS 13 HE2 HIS 13 19.193 3.578 -6.157 103 H GLU 14 H GLU 14 14.642 1.742 -6.168 104 HA GLU 14 HA GLU 14 12.086 0.298 -5.964 105 1HB GLU 14 1HB GLU 14 12.972 -1.289 -7.586 106 2HB GLU 14 2HB GLU 14 13.019 0.344 -8.236 107 1HG GLU 14 1HG GLU 14 15.485 0.131 -7.105 108 2HG GLU 14 2HG GLU 14 15.196 -1.517 -7.661 109 H ASN 15 H ASN 15 12.596 -2.182 -5.684 110 HA ASN 15 HA ASN 15 13.037 -3.729 -4.060 111 1HB ASN 15 1HB ASN 15 15.412 -4.238 -3.800 112 2HB ASN 15 2HB ASN 15 15.037 -3.877 -5.482 113 1HD2 ASN 15 2HD2 ASN 15 16.914 -3.072 -2.772 114 2HD2 ASN 15 1HD2 ASN 15 17.740 -1.714 -3.449 115 H VAL 16 H VAL 16 11.834 -2.248 -2.545 116 HA VAL 16 HA VAL 16 13.611 -1.513 -0.313 117 HB VAL 16 HB VAL 16 12.152 0.317 0.297 118 1HG1 VAL 16 1HG1 VAL 16 13.881 0.327 -1.797 119 2HG1 VAL 16 2HG1 VAL 16 12.423 0.975 -2.548 120 3HG1 VAL 16 3HG1 VAL 16 13.109 1.763 -1.126 121 1HG2 VAL 16 1HG2 VAL 16 10.330 -0.979 -1.535 122 2HG2 VAL 16 2HG2 VAL 16 10.004 0.218 -0.283 123 3HG2 VAL 16 3HG2 VAL 16 10.491 0.739 -1.896 124 H ASP 17 H ASP 17 13.206 -2.590 1.493 125 HA ASP 17 HA ASP 17 11.089 -4.469 1.648 126 1HB ASP 17 1HB ASP 17 12.985 -3.502 3.795 127 2HB ASP 17 2HB ASP 17 11.941 -4.915 3.922 128 H ILE 18 H ILE 18 9.065 -4.193 2.276 129 HA ILE 18 HA ILE 18 8.024 -1.732 3.152 130 HB ILE 18 HB ILE 18 6.896 -4.532 3.211 131 1HG1 ILE 18 1HG1 ILE 18 5.584 -2.573 1.534 132 2HG1 ILE 18 2HG1 ILE 18 7.298 -2.692 1.156 133 1HG2 ILE 18 1HG2 ILE 18 5.532 -1.945 3.928 134 2HG2 ILE 18 2HG2 ILE 18 4.682 -3.446 3.569 135 3HG2 ILE 18 3HG2 ILE 18 5.764 -3.358 4.957 136 1HD1 ILE 18 1HD1 ILE 18 6.124 -5.304 1.462 137 2HD1 ILE 18 2HD1 ILE 18 5.266 -4.348 0.254 138 3HD1 ILE 18 3HD1 ILE 18 7.003 -4.614 0.098 139 H ILE 19 H ILE 19 6.840 -1.436 5.273 140 HA ILE 19 HA ILE 19 8.282 -2.853 7.418 141 HB ILE 19 HB ILE 19 9.181 -1.031 8.310 142 1HG1 ILE 19 1HG1 ILE 19 6.641 0.568 7.984 143 2HG1 ILE 19 2HG1 ILE 19 6.965 -0.488 9.351 144 1HG2 ILE 19 1HG2 ILE 19 9.118 -0.483 5.721 145 2HG2 ILE 19 2HG2 ILE 19 8.171 0.888 6.295 146 3HG2 ILE 19 3HG2 ILE 19 9.802 0.628 6.904 147 1HD1 ILE 19 1HD1 ILE 19 9.027 0.901 9.759 148 2HD1 ILE 19 2HD1 ILE 19 8.370 2.043 8.588 149 3HD1 ILE 19 3HD1 ILE 19 7.475 1.680 10.063 150 H ALA 20 H ALA 20 5.269 -1.949 6.185 151 HA ALA 20 HA ALA 20 3.967 -3.131 8.484 152 1HB ALA 20 1HB ALA 20 4.211 -0.595 8.836 153 2HB ALA 20 2HB ALA 20 2.962 -0.454 7.601 154 3HB ALA 20 3HB ALA 20 2.628 -1.330 9.094 155 H VAL 21 H VAL 21 1.974 -4.026 8.020 156 HA VAL 21 HA VAL 21 0.811 -3.568 5.385 157 HB VAL 21 HB VAL 21 2.367 -5.448 5.061 158 1HG1 VAL 21 1HG1 VAL 21 2.043 -6.216 7.507 159 2HG1 VAL 21 2HG1 VAL 21 0.663 -7.114 6.874 160 3HG1 VAL 21 3HG1 VAL 21 2.283 -7.437 6.257 161 1HG2 VAL 21 1HG2 VAL 21 -0.246 -5.265 4.256 162 2HG2 VAL 21 2HG2 VAL 21 0.941 -6.406 3.623 163 3HG2 VAL 21 3HG2 VAL 21 -0.161 -6.901 4.907 164 H GLU 22 H GLU 22 -1.311 -3.319 5.591 165 HA GLU 22 HA GLU 22 -2.752 -4.923 7.573 166 1HB GLU 22 1HB GLU 22 -4.121 -2.675 7.923 167 2HB GLU 22 2HB GLU 22 -2.713 -3.064 8.900 168 1HG GLU 22 1HG GLU 22 -1.360 -1.728 7.229 169 2HG GLU 22 2HG GLU 22 -2.901 -1.164 6.585 170 H VAL 23 H VAL 23 -2.750 -5.506 4.933 171 HA VAL 23 HA VAL 23 -5.515 -4.921 4.202 172 HB VAL 23 HB VAL 23 -4.796 -4.611 1.794 173 1HG1 VAL 23 1HG1 VAL 23 -4.395 -2.643 3.990 174 2HG1 VAL 23 2HG1 VAL 23 -3.934 -2.185 2.351 175 3HG1 VAL 23 3HG1 VAL 23 -5.596 -2.665 2.697 176 1HG2 VAL 23 1HG2 VAL 23 -2.220 -4.993 3.016 177 2HG2 VAL 23 2HG2 VAL 23 -2.647 -4.910 1.308 178 3HG2 VAL 23 3HG2 VAL 23 -2.292 -3.432 2.199 179 H ASN 24 H ASN 24 -6.519 -6.746 3.733 180 HA ASN 24 HA ASN 24 -4.980 -8.968 2.561 181 1HB ASN 24 1HB ASN 24 -5.889 -8.982 5.119 182 2HB ASN 24 2HB ASN 24 -7.263 -9.688 4.276 183 1HD2 ASN 24 2HD2 ASN 24 -7.168 -11.790 4.645 184 2HD2 ASN 24 1HD2 ASN 24 -5.781 -12.794 4.413 185 H VAL 25 H VAL 25 -6.954 -6.837 1.583 186 HA VAL 25 HA VAL 25 -8.537 -6.681 -0.040 187 HB VAL 25 HB VAL 25 -8.037 -9.644 -0.323 188 1HG1 VAL 25 1HG1 VAL 25 -10.247 -8.968 -1.202 189 2HG1 VAL 25 2HG1 VAL 25 -9.444 -7.792 -2.242 190 3HG1 VAL 25 3HG1 VAL 25 -9.145 -9.516 -2.466 191 1HG2 VAL 25 1HG2 VAL 25 -6.839 -7.205 -1.565 192 2HG2 VAL 25 2HG2 VAL 25 -6.042 -8.634 -0.908 193 3HG2 VAL 25 3HG2 VAL 25 -6.878 -8.725 -2.458 194 H GLY 26 H GLY 26 -10.490 -6.167 0.702 195 1HA GLY 26 1HA GLY 26 -12.039 -8.246 2.117 196 2HA GLY 26 2HA GLY 26 -12.768 -7.229 0.883 197 H ASP 27 H ASP 27 -10.426 -5.794 2.963 198 HA ASP 27 HA ASP 27 -12.335 -4.886 4.925 199 1HB ASP 27 1HB ASP 27 -9.711 -5.337 5.110 200 2HB ASP 27 2HB ASP 27 -9.646 -3.628 4.690 201 H THR 28 H THR 28 -13.031 -2.763 5.243 202 HA THR 28 HA THR 28 -13.472 -1.264 2.859 203 HB THR 28 HB THR 28 -14.031 -0.614 5.758 204 HG1 THR 28 HG1 THR 28 -15.522 -2.036 5.360 205 1HG2 THR 28 1HG2 THR 28 -14.736 0.877 3.265 206 2HG2 THR 28 2HG2 THR 28 -15.758 0.948 4.700 207 3HG2 THR 28 3HG2 THR 28 -14.081 1.490 4.783 208 H ILE 29 H ILE 29 -12.863 0.956 2.495 209 HA ILE 29 HA ILE 29 -10.544 1.922 3.983 210 HB ILE 29 HB ILE 29 -9.300 2.406 1.907 211 1HG1 ILE 29 1HG1 ILE 29 -10.362 0.578 0.086 212 2HG1 ILE 29 2HG1 ILE 29 -11.765 1.437 0.717 213 1HG2 ILE 29 1HG2 ILE 29 -9.403 0.073 3.311 214 2HG2 ILE 29 2HG2 ILE 29 -9.625 -0.490 1.654 215 3HG2 ILE 29 3HG2 ILE 29 -8.203 0.462 2.077 216 1HD1 ILE 29 1HD1 ILE 29 -9.414 3.033 -0.119 217 2HD1 ILE 29 2HD1 ILE 29 -10.425 2.309 -1.370 218 3HD1 ILE 29 3HD1 ILE 29 -11.130 3.420 -0.196 219 H ALA 30 H ALA 30 -10.282 4.137 3.951 220 HA ALA 30 HA ALA 30 -12.378 5.649 2.533 221 1HB ALA 30 1HB ALA 30 -12.946 5.794 4.806 222 2HB ALA 30 2HB ALA 30 -12.118 7.309 4.452 223 3HB ALA 30 3HB ALA 30 -11.268 6.017 5.300 224 H VAL 31 H VAL 31 -11.664 8.144 2.675 225 HA VAL 31 HA VAL 31 -9.218 8.254 1.124 226 HB VAL 31 HB VAL 31 -10.962 10.598 1.854 227 1HG1 VAL 31 1HG1 VAL 31 -8.572 10.432 0.489 228 2HG1 VAL 31 2HG1 VAL 31 -9.776 10.489 -0.799 229 3HG1 VAL 31 3HG1 VAL 31 -9.721 11.768 0.415 230 1HG2 VAL 31 1HG2 VAL 31 -11.757 8.304 0.404 231 2HG2 VAL 31 2HG2 VAL 31 -12.632 9.822 0.615 232 3HG2 VAL 31 3HG2 VAL 31 -11.544 9.614 -0.757 233 H ASP 32 H ASP 32 -8.523 7.559 3.641 234 HA ASP 32 HA ASP 32 -6.484 9.170 4.377 235 1HB ASP 32 1HB ASP 32 -7.533 10.281 6.494 236 2HB ASP 32 2HB ASP 32 -7.718 11.068 4.930 237 H ASP 33 H ASP 33 -6.086 6.805 4.581 238 HA ASP 33 HA ASP 33 -6.173 6.066 7.377 239 1HB ASP 33 1HB ASP 33 -7.182 3.842 6.947 240 2HB ASP 33 2HB ASP 33 -8.306 5.162 6.648 241 H THR 34 H THR 34 -4.141 5.501 7.776 242 HA THR 34 HA THR 34 -2.189 4.964 5.923 243 HB THR 34 HB THR 34 -1.276 3.539 8.015 244 HG1 THR 34 HG1 THR 34 -2.251 4.071 9.812 245 1HG2 THR 34 1HG2 THR 34 -1.314 6.532 7.806 246 2HG2 THR 34 2HG2 THR 34 -0.236 5.586 8.832 247 3HG2 THR 34 3HG2 THR 34 -0.133 5.443 7.076 248 H LEU 35 H LEU 35 -1.966 3.429 4.500 249 HA LEU 35 HA LEU 35 -3.305 0.876 4.839 250 1HB LEU 35 1HB LEU 35 -1.920 2.266 2.578 251 2HB LEU 35 2HB LEU 35 -2.152 0.530 2.507 252 HG LEU 35 HG LEU 35 -4.302 2.639 2.675 253 1HD1 LEU 35 1HD1 LEU 35 -3.273 0.829 0.533 254 2HD1 LEU 35 2HD1 LEU 35 -4.960 1.345 0.521 255 3HD1 LEU 35 3HD1 LEU 35 -3.670 2.547 0.458 256 1HD2 LEU 35 1HD2 LEU 35 -4.427 -0.343 2.975 257 2HD2 LEU 35 2HD2 LEU 35 -5.159 0.906 3.982 258 3HD2 LEU 35 3HD2 LEU 35 -5.802 0.581 2.373 259 H ILE 36 H ILE 36 -0.026 2.168 4.471 260 HA ILE 36 HA ILE 36 1.030 -0.021 6.017 261 HB ILE 36 HB ILE 36 2.773 -0.636 4.312 262 1HG1 ILE 36 1HG1 ILE 36 2.566 -0.165 2.051 263 2HG1 ILE 36 2HG1 ILE 36 0.865 0.265 2.183 264 1HG2 ILE 36 1HG2 ILE 36 0.473 -1.780 4.900 265 2HG2 ILE 36 2HG2 ILE 36 0.172 -1.466 3.193 266 3HG2 ILE 36 3HG2 ILE 36 1.566 -2.432 3.682 267 1HD1 ILE 36 1HD1 ILE 36 3.188 1.923 3.144 268 2HD1 ILE 36 2HD1 ILE 36 2.257 2.192 1.669 269 3HD1 ILE 36 3HD1 ILE 36 1.484 2.369 3.246 270 H THR 37 H THR 37 3.570 0.124 5.859 271 HA THR 37 HA THR 37 4.467 2.892 5.718 272 HB THR 37 HB THR 37 4.827 1.112 8.145 273 HG1 THR 37 HG1 THR 37 3.088 2.101 8.733 274 1HG2 THR 37 1HG2 THR 37 6.818 2.564 7.534 275 2HG2 THR 37 2HG2 THR 37 5.780 3.941 7.898 276 3HG2 THR 37 3HG2 THR 37 6.145 2.758 9.153 277 H LEU 38 H LEU 38 6.166 2.861 4.409 278 HA LEU 38 HA LEU 38 7.771 0.401 4.273 279 1HB LEU 38 1HB LEU 38 7.073 2.489 2.242 280 2HB LEU 38 2HB LEU 38 8.430 1.403 2.000 281 HG LEU 38 HG LEU 38 6.618 -0.449 2.479 282 1HD1 LEU 38 1HD1 LEU 38 5.068 1.958 2.350 283 2HD1 LEU 38 2HD1 LEU 38 4.623 0.879 1.027 284 3HD1 LEU 38 3HD1 LEU 38 4.546 0.309 2.695 285 1HD2 LEU 38 1HD2 LEU 38 7.537 0.936 0.086 286 2HD2 LEU 38 2HD2 LEU 38 7.413 -0.791 0.421 287 3HD2 LEU 38 3HD2 LEU 38 5.997 0.104 -0.131 288 H GLU 39 H GLU 39 10.051 0.812 3.403 289 HA GLU 39 HA GLU 39 11.351 3.265 3.946 290 1HB GLU 39 1HB GLU 39 10.988 2.804 6.259 291 2HB GLU 39 2HB GLU 39 11.493 1.131 6.073 292 1HG GLU 39 1HG GLU 39 13.779 1.951 5.532 293 2HG GLU 39 2HG GLU 39 13.230 3.581 5.914 294 H THR 40 H THR 40 13.677 3.124 3.641 295 HA THR 40 HA THR 40 14.572 0.593 2.452 296 HB THR 40 HB THR 40 14.231 1.663 0.463 297 HG1 THR 40 HG1 THR 40 16.312 1.428 0.152 298 1HG2 THR 40 1HG2 THR 40 13.733 3.937 1.881 299 2HG2 THR 40 2HG2 THR 40 15.202 4.360 1.004 300 3HG2 THR 40 3HG2 THR 40 13.775 3.814 0.125 301 H ASP 41 H ASP 41 16.337 3.634 2.404 302 HA ASP 41 HA ASP 41 17.928 2.886 4.708 303 1HB ASP 41 1HB ASP 41 18.782 2.306 2.025 304 2HB ASP 41 2HB ASP 41 19.844 3.523 2.727 305 H LYS 42 H LYS 42 16.150 5.104 3.662 306 HA LYS 42 HA LYS 42 17.997 7.291 4.310 307 1HB LYS 42 1HB LYS 42 17.137 6.930 1.771 308 2HB LYS 42 2HB LYS 42 15.835 7.933 2.396 309 1HG LYS 42 1HG LYS 42 17.089 9.761 2.306 310 2HG LYS 42 2HG LYS 42 18.423 8.973 3.150 311 1HD LYS 42 1HD LYS 42 19.477 8.385 1.220 312 2HD LYS 42 2HD LYS 42 17.967 8.206 0.323 313 1HE LYS 42 1HE LYS 42 17.974 10.875 0.840 314 2HE LYS 42 2HE LYS 42 19.698 10.551 0.667 315 1HZ LYS 42 1HZ LYS 42 18.961 9.311 -1.452 316 2HZ LYS 42 2HZ LYS 42 17.547 10.232 -1.318 317 3HZ LYS 42 3HZ LYS 42 19.045 11.002 -1.481 318 H ALA 43 H ALA 43 14.620 6.243 4.027 319 HA ALA 43 HA ALA 43 13.973 7.413 6.563 320 1HB ALA 43 1HB ALA 43 12.849 9.271 5.983 321 2HB ALA 43 2HB ALA 43 12.193 8.540 4.518 322 3HB ALA 43 3HB ALA 43 13.833 9.189 4.522 323 H THR 44 H THR 44 11.569 7.181 7.019 324 HA THR 44 HA THR 44 10.624 4.667 5.815 325 HB THR 44 HB THR 44 9.313 4.386 7.904 326 HG1 THR 44 HG1 THR 44 9.342 5.854 9.436 327 1HG2 THR 44 1HG2 THR 44 12.270 4.563 7.964 328 2HG2 THR 44 2HG2 THR 44 11.410 4.335 9.488 329 3HG2 THR 44 3HG2 THR 44 11.207 3.171 8.179 330 H MET 45 H MET 45 9.022 4.910 4.411 331 HA MET 45 HA MET 45 7.260 7.241 4.654 332 1HB MET 45 1HB MET 45 8.521 6.027 2.457 333 2HB MET 45 2HB MET 45 6.806 5.677 2.275 334 1HG MET 45 1HG MET 45 7.404 7.721 1.120 335 2HG MET 45 2HG MET 45 6.296 8.054 2.450 336 1HE MET 45 1HE MET 45 7.176 10.215 1.323 337 2HE MET 45 2HE MET 45 8.014 11.246 2.483 338 3HE MET 45 3HE MET 45 8.904 10.523 1.142 339 H ASP 46 H ASP 46 5.030 6.593 3.447 340 HA ASP 46 HA ASP 46 3.896 4.082 4.056 341 1HB ASP 46 1HB ASP 46 2.314 4.957 5.857 342 2HB ASP 46 2HB ASP 46 3.974 4.653 6.360 343 H VAL 47 H VAL 47 1.409 4.222 3.893 344 HA VAL 47 HA VAL 47 0.680 6.438 2.091 345 HB VAL 47 HB VAL 47 -0.077 3.530 1.772 346 1HG1 VAL 47 1HG1 VAL 47 -1.523 5.823 1.010 347 2HG1 VAL 47 2HG1 VAL 47 -0.793 5.177 -0.461 348 3HG1 VAL 47 3HG1 VAL 47 -1.819 4.149 0.540 349 1HG2 VAL 47 1HG2 VAL 47 2.218 4.127 1.050 350 2HG2 VAL 47 2HG2 VAL 47 1.184 3.609 -0.283 351 3HG2 VAL 47 3HG2 VAL 47 1.527 5.324 -0.048 352 HA PRO 48 HA PRO 48 -2.715 6.589 5.018 353 1HB PRO 48 1HB PRO 48 -3.595 9.025 4.419 354 2HB PRO 48 2HB PRO 48 -2.021 8.801 5.195 355 1HG PRO 48 1HG PRO 48 -2.660 9.399 2.342 356 2HG PRO 48 2HG PRO 48 -1.325 9.996 3.343 357 1HD PRO 48 1HD PRO 48 -1.192 7.882 1.506 358 2HD PRO 48 2HD PRO 48 0.000 8.243 2.770 359 H ALA 49 H ALA 49 -2.981 5.393 2.218 360 HA ALA 49 HA ALA 49 -4.636 4.651 0.850 361 1HB ALA 49 1HB ALA 49 -7.033 4.965 1.934 362 2HB ALA 49 2HB ALA 49 -5.897 3.752 2.520 363 3HB ALA 49 3HB ALA 49 -6.065 5.286 3.372 364 H GLU 50 H GLU 50 -6.118 5.341 -0.725 365 HA GLU 50 HA GLU 50 -7.037 8.091 -0.682 366 1HB GLU 50 1HB GLU 50 -4.714 8.105 -1.672 367 2HB GLU 50 2HB GLU 50 -5.345 7.120 -2.985 368 1HG GLU 50 1HG GLU 50 -7.059 8.994 -3.310 369 2HG GLU 50 2HG GLU 50 -5.990 9.960 -2.295 370 H VAL 51 H VAL 51 -8.939 6.622 -0.460 371 HA VAL 51 HA VAL 51 -10.431 6.573 -2.834 372 HB VAL 51 HB VAL 51 -10.622 3.852 -2.521 373 1HG1 VAL 51 1HG1 VAL 51 -10.231 5.586 -4.541 374 2HG1 VAL 51 2HG1 VAL 51 -8.682 4.746 -4.544 375 3HG1 VAL 51 3HG1 VAL 51 -10.180 3.834 -4.727 376 1HG2 VAL 51 1HG2 VAL 51 -8.314 4.294 -1.208 377 2HG2 VAL 51 2HG2 VAL 51 -8.634 2.828 -2.132 378 3HG2 VAL 51 3HG2 VAL 51 -7.695 4.136 -2.852 379 H ALA 52 H ALA 52 -12.424 4.927 -2.449 380 HA ALA 52 HA ALA 52 -13.117 4.836 0.383 381 1HB ALA 52 1HB ALA 52 -14.622 6.466 -1.637 382 2HB ALA 52 2HB ALA 52 -15.278 5.993 -0.070 383 3HB ALA 52 3HB ALA 52 -13.849 7.024 -0.149 384 H GLY 53 H GLY 53 -12.825 2.547 -0.503 385 1HA GLY 53 1HA GLY 53 -14.389 1.241 -2.281 386 2HA GLY 53 2HA GLY 53 -15.473 1.478 -0.923 387 H VAL 54 H VAL 54 -13.952 -0.874 -2.258 388 HA VAL 54 HA VAL 54 -12.868 -2.024 0.233 389 HB VAL 54 HB VAL 54 -14.592 -3.411 -1.827 390 1HG1 VAL 54 1HG1 VAL 54 -12.734 -4.444 0.146 391 2HG1 VAL 54 2HG1 VAL 54 -14.374 -5.039 0.411 392 3HG1 VAL 54 3HG1 VAL 54 -13.587 -5.284 -1.149 393 1HG2 VAL 54 1HG2 VAL 54 -15.216 -1.955 0.573 394 2HG2 VAL 54 2HG2 VAL 54 -16.303 -2.682 -0.611 395 3HG2 VAL 54 3HG2 VAL 54 -15.697 -3.644 0.737 396 H VAL 55 H VAL 55 -11.092 -3.391 0.037 397 HA VAL 55 HA VAL 55 -9.505 -3.030 -2.325 398 HB VAL 55 HB VAL 55 -8.954 -4.745 0.099 399 1HG1 VAL 55 1HG1 VAL 55 -7.729 -5.428 -1.973 400 2HG1 VAL 55 2HG1 VAL 55 -7.027 -3.810 -2.031 401 3HG1 VAL 55 3HG1 VAL 55 -6.677 -4.873 -0.669 402 1HG2 VAL 55 1HG2 VAL 55 -9.186 -2.186 0.332 403 2HG2 VAL 55 2HG2 VAL 55 -7.751 -2.963 1.000 404 3HG2 VAL 55 3HG2 VAL 55 -7.658 -2.120 -0.547 405 H LYS 56 H LYS 56 -8.813 -4.548 -3.771 406 HA LYS 56 HA LYS 56 -10.360 -7.056 -3.847 407 1HB LYS 56 1HB LYS 56 -9.209 -6.415 -6.398 408 2HB LYS 56 2HB LYS 56 -10.904 -6.636 -5.981 409 1HG LYS 56 1HG LYS 56 -9.468 -4.041 -5.516 410 2HG LYS 56 2HG LYS 56 -10.245 -4.431 -7.051 411 1HD LYS 56 1HD LYS 56 -11.660 -4.487 -4.389 412 2HD LYS 56 2HD LYS 56 -11.654 -3.090 -5.468 413 1HE LYS 56 1HE LYS 56 -13.485 -3.990 -6.379 414 2HE LYS 56 2HE LYS 56 -12.384 -5.138 -7.140 415 1HZ LYS 56 1HZ LYS 56 -12.711 -6.359 -4.846 416 2HZ LYS 56 2HZ LYS 56 -14.174 -5.510 -4.858 417 3HZ LYS 56 3HZ LYS 56 -13.801 -6.570 -6.123 418 H GLU 57 H GLU 57 -7.310 -5.504 -4.715 419 HA GLU 57 HA GLU 57 -6.049 -8.130 -4.593 420 1HB GLU 57 1HB GLU 57 -5.615 -5.779 -6.331 421 2HB GLU 57 2HB GLU 57 -4.173 -6.656 -5.836 422 1HG GLU 57 1HG GLU 57 -6.387 -8.318 -6.822 423 2HG GLU 57 2HG GLU 57 -5.644 -7.248 -8.012 424 H VAL 58 H VAL 58 -3.582 -7.869 -4.107 425 HA VAL 58 HA VAL 58 -2.821 -5.805 -2.277 426 HB VAL 58 HB VAL 58 -4.267 -7.099 -0.778 427 1HG1 VAL 58 1HG1 VAL 58 -3.466 -9.282 -2.174 428 2HG1 VAL 58 2HG1 VAL 58 -2.505 -9.445 -0.704 429 3HG1 VAL 58 3HG1 VAL 58 -4.262 -9.339 -0.601 430 1HG2 VAL 58 1HG2 VAL 58 -1.732 -6.234 -0.269 431 2HG2 VAL 58 2HG2 VAL 58 -2.869 -6.809 0.953 432 3HG2 VAL 58 3HG2 VAL 58 -1.660 -7.907 0.287 433 H LYS 59 H LYS 59 -0.745 -5.550 -2.688 434 HA LYS 59 HA LYS 59 0.938 -7.924 -3.111 435 1HB LYS 59 1HB LYS 59 1.514 -5.422 -4.635 436 2HB LYS 59 2HB LYS 59 1.899 -7.090 -5.041 437 1HG LYS 59 1HG LYS 59 -0.847 -7.076 -5.070 438 2HG LYS 59 2HG LYS 59 -0.433 -5.488 -5.720 439 1HD LYS 59 1HD LYS 59 1.252 -6.827 -7.184 440 2HD LYS 59 2HD LYS 59 0.223 -8.203 -6.786 441 1HE LYS 59 1HE LYS 59 -1.586 -6.251 -7.497 442 2HE LYS 59 2HE LYS 59 -0.245 -5.978 -8.609 443 1HZ LYS 59 1HZ LYS 59 -1.377 -8.676 -8.186 444 2HZ LYS 59 2HZ LYS 59 -2.042 -7.607 -9.315 445 3HZ LYS 59 3HZ LYS 59 -0.438 -8.118 -9.478 446 H VAL 60 H VAL 60 1.147 -7.285 -0.726 447 HA VAL 60 HA VAL 60 3.692 -6.131 -0.339 448 HB VAL 60 HB VAL 60 2.896 -3.976 -0.551 449 1HG1 VAL 60 1HG1 VAL 60 0.348 -4.829 0.809 450 2HG1 VAL 60 2HG1 VAL 60 0.710 -3.189 0.272 451 3HG1 VAL 60 3HG1 VAL 60 0.573 -4.493 -0.909 452 1HG2 VAL 60 1HG2 VAL 60 3.943 -4.293 1.686 453 2HG2 VAL 60 2HG2 VAL 60 2.823 -2.934 1.606 454 3HG2 VAL 60 3HG2 VAL 60 2.326 -4.443 2.373 455 H LYS 61 H LYS 61 4.369 -6.180 1.885 456 HA LYS 61 HA LYS 61 2.711 -7.121 3.979 457 1HB LYS 61 1HB LYS 61 3.258 -9.136 2.264 458 2HB LYS 61 2HB LYS 61 4.661 -9.249 3.319 459 1HG LYS 61 1HG LYS 61 3.313 -10.591 4.512 460 2HG LYS 61 2HG LYS 61 2.708 -9.065 5.159 461 1HD LYS 61 1HD LYS 61 0.806 -10.343 4.543 462 2HD LYS 61 2HD LYS 61 0.994 -9.094 3.310 463 1HE LYS 61 1HE LYS 61 1.833 -10.617 1.737 464 2HE LYS 61 2HE LYS 61 2.173 -11.832 2.968 465 1HZ LYS 61 1HZ LYS 61 -0.603 -10.975 2.553 466 2HZ LYS 61 2HZ LYS 61 0.092 -12.039 1.438 467 3HZ LYS 61 3HZ LYS 61 -0.006 -12.470 3.071 468 H VAL 62 H VAL 62 4.683 -8.587 5.414 469 HA VAL 62 HA VAL 62 6.657 -6.451 5.878 470 HB VAL 62 HB VAL 62 5.595 -8.481 7.847 471 1HG1 VAL 62 1HG1 VAL 62 7.909 -7.862 8.310 472 2HG1 VAL 62 2HG1 VAL 62 7.470 -6.155 8.256 473 3HG1 VAL 62 3HG1 VAL 62 6.820 -7.191 9.526 474 1HG2 VAL 62 1HG2 VAL 62 4.234 -6.347 6.952 475 2HG2 VAL 62 2HG2 VAL 62 4.106 -6.956 8.601 476 3HG2 VAL 62 3HG2 VAL 62 5.161 -5.589 8.246 477 H GLY 63 H GLY 63 8.348 -7.147 4.619 478 1HA GLY 63 1HA GLY 63 9.327 -9.886 5.068 479 2HA GLY 63 2HA GLY 63 10.410 -8.527 5.323 480 H ASP 64 H ASP 64 8.159 -8.094 2.789 481 HA ASP 64 HA ASP 64 10.010 -9.123 0.773 482 1HB ASP 64 1HB ASP 64 8.092 -8.495 -0.800 483 2HB ASP 64 2HB ASP 64 7.797 -9.814 0.329 484 H LYS 65 H LYS 65 10.376 -7.773 -1.181 485 HA LYS 65 HA LYS 65 10.929 -5.010 -0.370 486 1HB LYS 65 1HB LYS 65 12.263 -5.239 -2.704 487 2HB LYS 65 2HB LYS 65 12.960 -5.641 -1.143 488 1HG LYS 65 1HG LYS 65 13.464 -7.386 -2.703 489 2HG LYS 65 2HG LYS 65 12.317 -8.002 -1.510 490 1HD LYS 65 1HD LYS 65 10.914 -8.559 -3.138 491 2HD LYS 65 2HD LYS 65 10.843 -6.874 -3.658 492 1HE LYS 65 1HE LYS 65 11.776 -7.575 -5.561 493 2HE LYS 65 2HE LYS 65 13.269 -7.728 -4.637 494 1HZ LYS 65 1HZ LYS 65 11.390 -9.968 -4.574 495 2HZ LYS 65 2HZ LYS 65 12.277 -9.730 -5.994 496 3HZ LYS 65 3HZ LYS 65 13.082 -9.975 -4.527 497 H ILE 66 H ILE 66 10.394 -3.256 -1.702 498 HA ILE 66 HA ILE 66 8.589 -3.809 -3.930 499 HB ILE 66 HB ILE 66 7.611 -3.165 -1.463 500 1HG1 ILE 66 1HG1 ILE 66 5.498 -2.692 -2.679 501 2HG1 ILE 66 2HG1 ILE 66 6.423 -2.630 -4.180 502 1HG2 ILE 66 1HG2 ILE 66 7.772 -0.582 -2.992 503 2HG2 ILE 66 2HG2 ILE 66 6.635 -0.883 -1.685 504 3HG2 ILE 66 3HG2 ILE 66 8.367 -0.919 -1.370 505 1HD1 ILE 66 1HD1 ILE 66 7.084 -5.021 -2.797 506 2HD1 ILE 66 2HD1 ILE 66 5.327 -4.883 -2.898 507 3HD1 ILE 66 3HD1 ILE 66 6.301 -4.824 -4.368 508 H SER 67 H SER 67 7.963 -1.590 -5.007 509 HA SER 67 HA SER 67 10.205 0.283 -4.947 510 1HB SER 67 1HB SER 67 9.230 -0.885 -7.557 511 2HB SER 67 2HB SER 67 10.622 0.167 -7.299 512 HG SER 67 HG SER 67 10.338 -2.560 -6.847 513 H GLU 68 H GLU 68 9.655 2.358 -5.375 514 HA GLU 68 HA GLU 68 7.205 3.405 -4.999 515 1HB GLU 68 1HB GLU 68 9.255 4.489 -6.935 516 2HB GLU 68 2HB GLU 68 7.945 5.411 -6.210 517 1HG GLU 68 1HG GLU 68 8.903 5.059 -4.002 518 2HG GLU 68 2HG GLU 68 10.205 4.107 -4.711 519 H GLY 69 H GLY 69 5.302 3.048 -5.939 520 1HA GLY 69 1HA GLY 69 4.893 3.451 -8.727 521 2HA GLY 69 2HA GLY 69 3.696 2.875 -7.576 522 H GLY 70 H GLY 70 3.906 0.552 -6.912 523 1HA GLY 70 1HA GLY 70 5.202 -1.527 -7.723 524 2HA GLY 70 2HA GLY 70 4.603 -1.029 -9.298 525 H LEU 71 H LEU 71 2.039 -0.114 -8.221 526 HA LEU 71 HA LEU 71 -0.036 -0.891 -7.688 527 1HB LEU 71 1HB LEU 71 0.380 -1.940 -9.904 528 2HB LEU 71 2HB LEU 71 0.962 -3.374 -9.079 529 HG LEU 71 HG LEU 71 -1.193 -3.877 -8.215 530 1HD1 LEU 71 1HD1 LEU 71 -1.673 -1.033 -8.728 531 2HD1 LEU 71 2HD1 LEU 71 -3.024 -2.089 -9.141 532 3HD1 LEU 71 3HD1 LEU 71 -2.364 -2.101 -7.506 533 1HD2 LEU 71 1HD2 LEU 71 -1.279 -3.000 -11.091 534 2HD2 LEU 71 2HD2 LEU 71 -1.005 -4.620 -10.451 535 3HD2 LEU 71 3HD2 LEU 71 -2.599 -3.876 -10.318 536 H ILE 72 H ILE 72 -0.046 -1.016 -5.481 537 HA ILE 72 HA ILE 72 0.924 -3.460 -4.220 538 HB ILE 72 HB ILE 72 0.468 -0.687 -3.326 539 1HG1 ILE 72 1HG1 ILE 72 2.268 -2.460 -1.837 540 2HG1 ILE 72 2HG1 ILE 72 2.590 -2.391 -3.568 541 1HG2 ILE 72 1HG2 ILE 72 -0.403 -2.984 -1.636 542 2HG2 ILE 72 2HG2 ILE 72 0.450 -1.642 -0.871 543 3HG2 ILE 72 3HG2 ILE 72 -1.055 -1.349 -1.742 544 1HD1 ILE 72 1HD1 ILE 72 2.208 0.149 -2.074 545 2HD1 ILE 72 2HD1 ILE 72 3.734 -0.724 -1.922 546 3HD1 ILE 72 3HD1 ILE 72 3.178 -0.187 -3.507 547 H VAL 73 H VAL 73 -1.936 -1.442 -3.495 548 HA VAL 73 HA VAL 73 -3.541 -3.912 -3.563 549 HB VAL 73 HB VAL 73 -4.855 -3.140 -1.686 550 1HG1 VAL 73 1HG1 VAL 73 -2.215 -4.002 -1.555 551 2HG1 VAL 73 2HG1 VAL 73 -2.319 -2.691 -0.379 552 3HG1 VAL 73 3HG1 VAL 73 -3.418 -4.067 -0.266 553 1HG2 VAL 73 1HG2 VAL 73 -4.685 -0.732 -2.120 554 2HG2 VAL 73 2HG2 VAL 73 -4.299 -1.126 -0.444 555 3HG2 VAL 73 3HG2 VAL 73 -3.005 -0.760 -1.584 556 H VAL 74 H VAL 74 -5.468 -3.837 -4.556 557 HA VAL 74 HA VAL 74 -6.226 -1.295 -5.832 558 HB VAL 74 HB VAL 74 -7.014 -4.125 -6.556 559 1HG1 VAL 74 1HG1 VAL 74 -8.587 -2.128 -7.090 560 2HG1 VAL 74 2HG1 VAL 74 -7.391 -1.748 -8.328 561 3HG1 VAL 74 3HG1 VAL 74 -8.218 -3.304 -8.351 562 1HG2 VAL 74 1HG2 VAL 74 -4.670 -2.577 -7.168 563 2HG2 VAL 74 2HG2 VAL 74 -5.043 -4.253 -7.574 564 3HG2 VAL 74 3HG2 VAL 74 -5.565 -2.948 -8.641 565 H VAL 75 H VAL 75 -8.297 -0.471 -5.575 566 HA VAL 75 HA VAL 75 -10.053 -1.949 -3.749 567 HB VAL 75 HB VAL 75 -10.705 0.151 -2.712 568 1HG1 VAL 75 1HG1 VAL 75 -8.713 -1.253 -1.935 569 2HG1 VAL 75 2HG1 VAL 75 -7.713 0.030 -2.615 570 3HG1 VAL 75 3HG1 VAL 75 -8.847 0.391 -1.313 571 1HG2 VAL 75 1HG2 VAL 75 -9.804 1.368 -4.939 572 2HG2 VAL 75 2HG2 VAL 75 -10.088 2.199 -3.409 573 3HG2 VAL 75 3HG2 VAL 75 -8.460 1.673 -3.839 574 H GLU 76 H GLU 76 -12.295 -0.957 -3.695 575 HA GLU 76 HA GLU 76 -13.282 -0.866 -6.414 576 1HB GLU 76 1HB GLU 76 -14.268 -1.875 -4.025 577 2HB GLU 76 2HB GLU 76 -15.242 -0.433 -4.290 578 1HG GLU 76 1HG GLU 76 -14.845 -2.471 -6.449 579 2HG GLU 76 2HG GLU 76 -16.097 -2.648 -5.220 580 H ALA 77 H ALA 77 -13.080 1.228 -3.599 581 HA ALA 77 HA ALA 77 -13.372 3.448 -3.280 582 1HB ALA 77 1HB ALA 77 -12.120 4.658 -4.659 583 2HB ALA 77 2HB ALA 77 -13.095 4.238 -6.066 584 3HB ALA 77 3HB ALA 77 -11.833 3.140 -5.508 585 H GLU 78 H GLU 78 -14.992 4.894 -3.126 586 HA GLU 78 HA GLU 78 -17.207 5.494 -3.126 587 1HB GLU 78 1HB GLU 78 -15.841 6.425 -5.322 588 2HB GLU 78 2HB GLU 78 -17.301 5.751 -6.038 589 1HG GLU 78 1HG GLU 78 -18.607 7.104 -4.371 590 2HG GLU 78 2HG GLU 78 -17.091 7.899 -3.950 591 H GLY 79 H GLY 79 -17.011 2.695 -3.143 592 1HA GLY 79 1HA GLY 79 -18.043 0.755 -3.984 593 2HA GLY 79 2HA GLY 79 -18.939 1.750 -5.122 594 H THR 80 H THR 80 -20.787 0.459 -4.472 595 HA THR 80 HA THR 80 -21.881 1.243 -1.854 596 HB THR 80 HB THR 80 -24.000 1.714 -2.781 597 HG1 THR 80 HG1 THR 80 -24.555 1.195 -4.882 598 1HG2 THR 80 1HG2 THR 80 -21.779 3.105 -3.772 599 2HG2 THR 80 2HG2 THR 80 -22.882 2.885 -5.131 600 3HG2 THR 80 3HG2 THR 80 -23.448 3.664 -3.652 601 H ALA 81 H ALA 81 -23.793 -0.165 -1.235 602 HA ALA 81 HA ALA 81 -23.298 -2.944 -2.092 603 1HB ALA 81 1HB ALA 81 -24.073 -2.000 0.667 604 2HB ALA 81 2HB ALA 81 -22.462 -2.526 0.175 605 3HB ALA 81 3HB ALA 81 -23.804 -3.672 0.174 No H/Q in entry = 605 Start of MODEL 2 1 H1 ALA 1 H1 ALA 1 -12.479 3.689 -11.859 2 H2 ALA 1 H2 ALA 1 -13.919 4.305 -12.554 3 H3 ALA 1 H3 ALA 1 -13.086 5.215 -11.361 4 HA ALA 1 HA ALA 1 -14.788 4.329 -10.196 5 1HB ALA 1 1HB ALA 1 -14.719 2.348 -12.269 6 2HB ALA 1 2HB ALA 1 -16.027 2.762 -11.159 7 3HB ALA 1 3HB ALA 1 -14.815 1.571 -10.688 8 H LEU 2 H LEU 2 -12.651 1.559 -10.754 9 HA LEU 2 HA LEU 2 -12.120 1.301 -7.943 10 1HB LEU 2 1HB LEU 2 -10.811 -0.135 -10.252 11 2HB LEU 2 2HB LEU 2 -10.788 -0.624 -8.569 12 HG LEU 2 HG LEU 2 -13.510 -0.380 -9.392 13 1HD1 LEU 2 1HD1 LEU 2 -11.686 -1.552 -11.394 14 2HD1 LEU 2 2HD1 LEU 2 -13.135 -2.481 -11.013 15 3HD1 LEU 2 3HD1 LEU 2 -13.279 -0.822 -11.593 16 1HD2 LEU 2 1HD2 LEU 2 -12.026 -1.949 -7.748 17 2HD2 LEU 2 2HD2 LEU 2 -13.690 -2.287 -8.223 18 3HD2 LEU 2 3HD2 LEU 2 -12.354 -3.057 -9.079 19 H VAL 3 H VAL 3 -9.750 0.890 -7.291 20 HA VAL 3 HA VAL 3 -7.963 2.854 -8.537 21 HB VAL 3 HB VAL 3 -8.729 2.735 -5.626 22 1HG1 VAL 3 1HG1 VAL 3 -6.303 4.098 -6.798 23 2HG1 VAL 3 2HG1 VAL 3 -6.895 4.310 -5.151 24 3HG1 VAL 3 3HG1 VAL 3 -6.298 2.733 -5.678 25 1HG2 VAL 3 1HG2 VAL 3 -8.881 4.749 -7.816 26 2HG2 VAL 3 2HG2 VAL 3 -10.096 4.282 -6.626 27 3HG2 VAL 3 3HG2 VAL 3 -8.738 5.300 -6.146 28 H GLU 4 H GLU 4 -5.716 2.574 -7.948 29 HA GLU 4 HA GLU 4 -5.029 -0.081 -6.911 30 1HB GLU 4 1HB GLU 4 -3.110 0.370 -8.859 31 2HB GLU 4 2HB GLU 4 -4.447 -0.764 -8.965 32 1HG GLU 4 1HG GLU 4 -5.813 1.046 -9.991 33 2HG GLU 4 2HG GLU 4 -4.365 2.052 -10.018 34 H LEU 5 H LEU 5 -3.937 0.371 -5.120 35 HA LEU 5 HA LEU 5 -2.581 2.783 -4.618 36 1HB LEU 5 1HB LEU 5 -3.447 0.809 -3.052 37 2HB LEU 5 2HB LEU 5 -1.766 0.324 -3.163 38 HG LEU 5 HG LEU 5 -1.281 2.795 -2.473 39 1HD1 LEU 5 1HD1 LEU 5 -3.812 3.277 -2.692 40 2HD1 LEU 5 2HD1 LEU 5 -3.924 2.519 -1.104 41 3HD1 LEU 5 3HD1 LEU 5 -2.924 3.954 -1.328 42 1HD2 LEU 5 1HD2 LEU 5 -1.731 0.358 -1.024 43 2HD2 LEU 5 2HD2 LEU 5 -0.541 1.628 -0.739 44 3HD2 LEU 5 3HD2 LEU 5 -2.150 1.751 -0.027 45 H LYS 6 H LYS 6 -0.284 3.035 -4.122 46 HA LYS 6 HA LYS 6 1.535 1.244 -5.525 47 1HB LYS 6 1HB LYS 6 1.033 4.109 -6.275 48 2HB LYS 6 2HB LYS 6 2.609 3.381 -6.547 49 1HG LYS 6 1HG LYS 6 1.814 2.709 -8.508 50 2HG LYS 6 2HG LYS 6 0.857 1.532 -7.606 51 1HD LYS 6 1HD LYS 6 -0.954 3.212 -7.428 52 2HD LYS 6 2HD LYS 6 -0.003 4.300 -8.439 53 1HE LYS 6 1HE LYS 6 -0.114 1.816 -9.774 54 2HE LYS 6 2HE LYS 6 -1.750 2.174 -9.221 55 1HZ LYS 6 1HZ LYS 6 -1.114 4.525 -10.208 56 2HZ LYS 6 2HZ LYS 6 -0.098 3.580 -11.174 57 3HZ LYS 6 3HZ LYS 6 -1.766 3.298 -11.171 58 H VAL 7 H VAL 7 3.542 1.181 -4.656 59 HA VAL 7 HA VAL 7 4.066 1.771 -2.063 60 HB VAL 7 HB VAL 7 6.056 1.771 -4.336 61 1HG1 VAL 7 1HG1 VAL 7 6.825 2.810 -2.127 62 2HG1 VAL 7 2HG1 VAL 7 6.700 1.179 -1.471 63 3HG1 VAL 7 3HG1 VAL 7 7.802 1.510 -2.805 64 1HG2 VAL 7 1HG2 VAL 7 4.694 -0.267 -4.122 65 2HG2 VAL 7 2HG2 VAL 7 6.397 -0.550 -3.781 66 3HG2 VAL 7 3HG2 VAL 7 5.243 -0.434 -2.455 67 HA PRO 8 HA PRO 8 4.417 6.179 -1.819 68 1HB PRO 8 1HB PRO 8 5.610 6.413 0.588 69 2HB PRO 8 2HB PRO 8 3.922 5.917 0.409 70 1HG PRO 8 1HG PRO 8 6.348 4.239 0.909 71 2HG PRO 8 2HG PRO 8 4.728 4.104 1.618 72 1HD PRO 8 1HD PRO 8 5.625 2.527 -0.427 73 2HD PRO 8 2HD PRO 8 3.914 2.918 -0.169 74 H ASP 9 H ASP 9 6.245 7.732 -0.750 75 HA ASP 9 HA ASP 9 8.499 7.468 -2.540 76 1HB ASP 9 1HB ASP 9 7.439 9.639 -2.304 77 2HB ASP 9 2HB ASP 9 7.718 9.619 -0.565 78 H ILE 10 H ILE 10 9.800 5.838 -1.764 79 HA ILE 10 HA ILE 10 10.770 6.057 0.993 80 HB ILE 10 HB ILE 10 11.974 3.822 0.204 81 1HG1 ILE 10 1HG1 ILE 10 10.502 2.512 -1.274 82 2HG1 ILE 10 2HG1 ILE 10 9.491 3.931 -1.522 83 1HG2 ILE 10 1HG2 ILE 10 10.340 4.172 2.062 84 2HG2 ILE 10 2HG2 ILE 10 9.049 3.834 0.906 85 3HG2 ILE 10 3HG2 ILE 10 10.246 2.593 1.281 86 1HD1 ILE 10 1HD1 ILE 10 11.475 5.076 -2.502 87 2HD1 ILE 10 2HD1 ILE 10 12.336 3.541 -2.404 88 3HD1 ILE 10 3HD1 ILE 10 10.900 3.683 -3.418 89 H GLY 11 H GLY 11 11.856 8.076 0.008 90 1HA GLY 11 1HA GLY 11 14.639 7.352 -0.446 91 2HA GLY 11 2HA GLY 11 14.027 8.954 -0.066 92 H GLY 12 H GLY 12 14.672 6.644 -2.590 93 1HA GLY 12 1HA GLY 12 15.171 8.628 -4.523 94 2HA GLY 12 2HA GLY 12 13.548 8.000 -4.771 95 H HIS 13 H HIS 13 14.165 5.313 -3.912 96 HA HIS 13 HA HIS 13 15.441 4.399 -6.366 97 1HB HIS 13 1HB HIS 13 16.609 2.617 -4.759 98 2HB HIS 13 2HB HIS 13 17.382 4.139 -5.183 99 HD1 HIS 13 HD1 HIS 13 18.686 4.581 -3.090 100 HD2 HIS 13 HD2 HIS 13 14.689 3.737 -2.327 101 HE1 HIS 13 HE1 HIS 13 18.358 5.037 -0.640 102 HE2 HIS 13 HE2 HIS 13 15.910 4.618 -0.224 103 H GLU 14 H GLU 14 15.073 2.099 -6.775 104 HA GLU 14 HA GLU 14 12.419 1.330 -5.876 105 1HB GLU 14 1HB GLU 14 12.723 -0.503 -7.597 106 2HB GLU 14 2HB GLU 14 12.728 1.142 -8.217 107 1HG GLU 14 1HG GLU 14 15.066 1.121 -8.527 108 2HG GLU 14 2HG GLU 14 15.250 -0.356 -7.582 109 H ASN 15 H ASN 15 12.267 -1.262 -5.859 110 HA ASN 15 HA ASN 15 12.428 -3.013 -4.407 111 1HB ASN 15 1HB ASN 15 14.594 -4.120 -4.404 112 2HB ASN 15 2HB ASN 15 14.246 -3.489 -6.010 113 1HD2 ASN 15 2HD2 ASN 15 16.347 -3.419 -3.320 114 2HD2 ASN 15 1HD2 ASN 15 17.482 -2.277 -3.947 115 H VAL 16 H VAL 16 11.718 -2.264 -2.461 116 HA VAL 16 HA VAL 16 13.811 -1.691 -0.488 117 HB VAL 16 HB VAL 16 12.030 -0.094 0.577 118 1HG1 VAL 16 1HG1 VAL 16 14.163 0.333 -1.371 119 2HG1 VAL 16 2HG1 VAL 16 13.012 1.666 -1.277 120 3HG1 VAL 16 3HG1 VAL 16 13.860 1.127 0.173 121 1HG2 VAL 16 1HG2 VAL 16 10.683 -0.757 -1.748 122 2HG2 VAL 16 2HG2 VAL 16 10.300 0.575 -0.658 123 3HG2 VAL 16 3HG2 VAL 16 11.321 0.855 -2.069 124 H ASP 17 H ASP 17 12.937 -1.899 1.782 125 HA ASP 17 HA ASP 17 11.198 -4.247 1.866 126 1HB ASP 17 1HB ASP 17 13.109 -3.068 3.883 127 2HB ASP 17 2HB ASP 17 12.046 -4.428 4.238 128 H ILE 18 H ILE 18 9.238 -4.268 2.779 129 HA ILE 18 HA ILE 18 7.998 -1.797 3.506 130 HB ILE 18 HB ILE 18 7.031 -4.657 3.500 131 1HG1 ILE 18 1HG1 ILE 18 5.771 -2.524 1.884 132 2HG1 ILE 18 2HG1 ILE 18 7.409 -2.977 1.428 133 1HG2 ILE 18 1HG2 ILE 18 5.498 -2.179 4.268 134 2HG2 ILE 18 2HG2 ILE 18 4.759 -3.737 3.895 135 3HG2 ILE 18 3HG2 ILE 18 5.837 -3.582 5.282 136 1HD1 ILE 18 1HD1 ILE 18 5.748 -5.297 1.871 137 2HD1 ILE 18 2HD1 ILE 18 5.068 -4.220 0.651 138 3HD1 ILE 18 3HD1 ILE 18 6.707 -4.844 0.462 139 H ILE 19 H ILE 19 6.784 -1.556 5.581 140 HA ILE 19 HA ILE 19 8.167 -2.924 7.784 141 HB ILE 19 HB ILE 19 9.296 -1.025 8.188 142 1HG1 ILE 19 1HG1 ILE 19 6.586 -0.166 9.210 143 2HG1 ILE 19 2HG1 ILE 19 7.851 -0.992 10.112 144 1HG2 ILE 19 1HG2 ILE 19 8.236 -0.070 5.976 145 2HG2 ILE 19 2HG2 ILE 19 7.352 0.943 7.115 146 3HG2 ILE 19 3HG2 ILE 19 9.109 0.966 7.099 147 1HD1 ILE 19 1HD1 ILE 19 8.905 1.433 9.062 148 2HD1 ILE 19 2HD1 ILE 19 7.375 1.769 9.874 149 3HD1 ILE 19 3HD1 ILE 19 8.675 0.955 10.746 150 H ALA 20 H ALA 20 5.210 -2.124 6.409 151 HA ALA 20 HA ALA 20 3.847 -3.056 8.794 152 1HB ALA 20 1HB ALA 20 4.065 -0.459 8.742 153 2HB ALA 20 2HB ALA 20 2.755 -0.569 7.562 154 3HB ALA 20 3HB ALA 20 2.531 -1.211 9.191 155 H VAL 21 H VAL 21 1.773 -3.880 8.418 156 HA VAL 21 HA VAL 21 0.806 -3.933 5.660 157 HB VAL 21 HB VAL 21 1.275 -6.437 7.286 158 1HG1 VAL 21 1HG1 VAL 21 -0.532 -5.863 5.119 159 2HG1 VAL 21 2HG1 VAL 21 0.645 -7.088 4.642 160 3HG1 VAL 21 3HG1 VAL 21 -0.357 -7.336 6.073 161 1HG2 VAL 21 1HG2 VAL 21 3.274 -5.333 6.174 162 2HG2 VAL 21 2HG2 VAL 21 2.961 -7.015 5.744 163 3HG2 VAL 21 3HG2 VAL 21 2.503 -5.722 4.637 164 H GLU 22 H GLU 22 -1.280 -3.411 5.677 165 HA GLU 22 HA GLU 22 -3.025 -4.506 7.741 166 1HB GLU 22 1HB GLU 22 -2.786 -1.543 7.191 167 2HB GLU 22 2HB GLU 22 -4.050 -2.283 8.164 168 1HG GLU 22 1HG GLU 22 -1.145 -2.628 8.819 169 2HG GLU 22 2HG GLU 22 -2.071 -1.236 9.378 170 H VAL 23 H VAL 23 -3.220 -5.558 5.418 171 HA VAL 23 HA VAL 23 -5.623 -4.368 4.244 172 HB VAL 23 HB VAL 23 -4.702 -5.164 1.962 173 1HG1 VAL 23 1HG1 VAL 23 -3.602 -2.703 3.316 174 2HG1 VAL 23 2HG1 VAL 23 -3.654 -2.973 1.575 175 3HG1 VAL 23 3HG1 VAL 23 -5.155 -2.839 2.491 176 1HG2 VAL 23 1HG2 VAL 23 -2.176 -4.951 3.589 177 2HG2 VAL 23 2HG2 VAL 23 -2.742 -6.323 2.635 178 3HG2 VAL 23 3HG2 VAL 23 -2.204 -4.850 1.827 179 H ASN 24 H ASN 24 -7.163 -5.836 4.412 180 HA ASN 24 HA ASN 24 -6.479 -8.671 4.498 181 1HB ASN 24 1HB ASN 24 -8.362 -7.082 5.833 182 2HB ASN 24 2HB ASN 24 -9.299 -8.107 4.753 183 1HD2 ASN 24 2HD2 ASN 24 -10.166 -9.443 6.252 184 2HD2 ASN 24 1HD2 ASN 24 -9.242 -10.521 7.236 185 H VAL 25 H VAL 25 -6.813 -6.741 2.032 186 HA VAL 25 HA VAL 25 -7.712 -6.797 -0.072 187 HB VAL 25 HB VAL 25 -6.047 -8.519 -0.285 188 1HG1 VAL 25 1HG1 VAL 25 -8.138 -10.358 0.858 189 2HG1 VAL 25 2HG1 VAL 25 -6.666 -10.919 0.066 190 3HG1 VAL 25 3HG1 VAL 25 -6.562 -9.958 1.541 191 1HG2 VAL 25 1HG2 VAL 25 -8.422 -8.423 -1.817 192 2HG2 VAL 25 2HG2 VAL 25 -6.810 -8.926 -2.327 193 3HG2 VAL 25 3HG2 VAL 25 -7.944 -10.116 -1.686 194 H GLY 26 H GLY 26 -9.823 -6.237 1.168 195 1HA GLY 26 1HA GLY 26 -11.826 -8.362 0.906 196 2HA GLY 26 2HA GLY 26 -12.044 -6.900 -0.044 197 H ASP 27 H ASP 27 -11.250 -4.961 1.754 198 HA ASP 27 HA ASP 27 -13.418 -5.129 3.723 199 1HB ASP 27 1HB ASP 27 -10.894 -5.493 4.555 200 2HB ASP 27 2HB ASP 27 -10.937 -3.732 4.577 201 H THR 28 H THR 28 -13.723 -2.869 4.769 202 HA THR 28 HA THR 28 -14.170 -1.023 2.608 203 HB THR 28 HB THR 28 -14.658 -0.662 5.571 204 HG1 THR 28 HG1 THR 28 -15.840 -2.406 4.794 205 1HG2 THR 28 1HG2 THR 28 -14.825 1.240 3.581 206 2HG2 THR 28 2HG2 THR 28 -16.482 0.663 3.762 207 3HG2 THR 28 3HG2 THR 28 -15.611 1.295 5.159 208 H ILE 29 H ILE 29 -13.028 0.752 2.098 209 HA ILE 29 HA ILE 29 -10.871 1.582 3.924 210 HB ILE 29 HB ILE 29 -9.549 2.166 1.850 211 1HG1 ILE 29 1HG1 ILE 29 -10.745 0.141 0.188 212 2HG1 ILE 29 2HG1 ILE 29 -11.948 1.360 0.593 213 1HG2 ILE 29 1HG2 ILE 29 -9.743 -0.192 3.297 214 2HG2 ILE 29 2HG2 ILE 29 -9.721 -0.715 1.613 215 3HG2 ILE 29 3HG2 ILE 29 -8.415 0.290 2.242 216 1HD1 ILE 29 1HD1 ILE 29 -10.316 3.089 -0.185 217 2HD1 ILE 29 2HD1 ILE 29 -9.311 1.768 -0.782 218 3HD1 ILE 29 3HD1 ILE 29 -10.930 2.011 -1.440 219 H ALA 30 H ALA 30 -10.311 3.788 3.893 220 HA ALA 30 HA ALA 30 -12.280 5.536 2.568 221 1HB ALA 30 1HB ALA 30 -11.054 6.595 5.010 222 2HB ALA 30 2HB ALA 30 -12.734 6.625 4.475 223 3HB ALA 30 3HB ALA 30 -12.084 5.185 5.260 224 H VAL 31 H VAL 31 -11.375 7.938 2.745 225 HA VAL 31 HA VAL 31 -8.864 7.888 1.284 226 HB VAL 31 HB VAL 31 -10.464 10.354 1.924 227 1HG1 VAL 31 1HG1 VAL 31 -8.204 9.669 0.211 228 2HG1 VAL 31 2HG1 VAL 31 -9.479 10.554 -0.626 229 3HG1 VAL 31 3HG1 VAL 31 -8.733 11.239 0.818 230 1HG2 VAL 31 1HG2 VAL 31 -11.886 8.493 0.942 231 2HG2 VAL 31 2HG2 VAL 31 -11.862 10.017 0.056 232 3HG2 VAL 31 3HG2 VAL 31 -10.904 8.651 -0.514 233 H ASP 32 H ASP 32 -8.365 7.170 3.850 234 HA ASP 32 HA ASP 32 -6.275 8.699 4.678 235 1HB ASP 32 1HB ASP 32 -7.324 9.847 6.734 236 2HB ASP 32 2HB ASP 32 -7.552 10.615 5.166 237 H ASP 33 H ASP 33 -6.059 6.273 4.802 238 HA ASP 33 HA ASP 33 -6.260 5.486 7.590 239 1HB ASP 33 1HB ASP 33 -7.314 3.306 7.046 240 2HB ASP 33 2HB ASP 33 -8.382 4.669 6.726 241 H THR 34 H THR 34 -4.086 5.281 7.815 242 HA THR 34 HA THR 34 -2.191 4.541 6.038 243 HB THR 34 HB THR 34 -1.242 3.282 8.229 244 HG1 THR 34 HG1 THR 34 -2.576 3.689 9.793 245 1HG2 THR 34 1HG2 THR 34 -0.158 5.127 7.043 246 2HG2 THR 34 2HG2 THR 34 -1.257 6.256 7.839 247 3HG2 THR 34 3HG2 THR 34 -0.108 5.321 8.798 248 H LEU 35 H LEU 35 -2.018 2.920 4.704 249 HA LEU 35 HA LEU 35 -3.267 0.368 5.289 250 1HB LEU 35 1HB LEU 35 -1.774 1.351 2.854 251 2HB LEU 35 2HB LEU 35 -2.540 -0.220 2.984 252 HG LEU 35 HG LEU 35 -3.859 2.479 2.859 253 1HD1 LEU 35 1HD1 LEU 35 -3.260 0.471 0.968 254 2HD1 LEU 35 2HD1 LEU 35 -5.007 0.460 1.211 255 3HD1 LEU 35 3HD1 LEU 35 -4.192 1.950 0.736 256 1HD2 LEU 35 1HD2 LEU 35 -4.902 -0.102 3.929 257 2HD2 LEU 35 2HD2 LEU 35 -5.185 1.546 4.489 258 3HD2 LEU 35 3HD2 LEU 35 -5.982 0.961 3.028 259 H ILE 36 H ILE 36 -0.030 1.608 4.480 260 HA ILE 36 HA ILE 36 1.135 -0.443 6.177 261 HB ILE 36 HB ILE 36 2.815 -1.100 4.442 262 1HG1 ILE 36 1HG1 ILE 36 2.546 -0.694 2.167 263 2HG1 ILE 36 2HG1 ILE 36 0.860 -0.224 2.338 264 1HG2 ILE 36 1HG2 ILE 36 0.420 -2.164 5.046 265 2HG2 ILE 36 2HG2 ILE 36 0.280 -2.004 3.297 266 3HG2 ILE 36 3HG2 ILE 36 1.613 -2.923 3.997 267 1HD1 ILE 36 1HD1 ILE 36 3.187 1.427 3.297 268 2HD1 ILE 36 2HD1 ILE 36 2.404 1.620 1.730 269 3HD1 ILE 36 3HD1 ILE 36 1.492 1.911 3.212 270 H THR 37 H THR 37 3.677 -0.228 5.880 271 HA THR 37 HA THR 37 4.393 2.609 5.773 272 HB THR 37 HB THR 37 5.551 0.755 7.847 273 HG1 THR 37 HG1 THR 37 3.386 2.533 8.261 274 1HG2 THR 37 1HG2 THR 37 5.357 3.751 7.678 275 2HG2 THR 37 2HG2 THR 37 5.984 2.850 9.057 276 3HG2 THR 37 3HG2 THR 37 6.812 2.773 7.502 277 H LEU 38 H LEU 38 6.186 2.959 4.578 278 HA LEU 38 HA LEU 38 7.773 0.593 3.835 279 1HB LEU 38 1HB LEU 38 6.863 2.967 2.264 280 2HB LEU 38 2HB LEU 38 8.329 2.132 1.794 281 HG LEU 38 HG LEU 38 6.700 1.180 0.442 282 1HD1 LEU 38 1HD1 LEU 38 8.042 -0.432 1.998 283 2HD1 LEU 38 2HD1 LEU 38 6.446 -0.776 2.665 284 3HD1 LEU 38 3HD1 LEU 38 6.763 -1.047 0.951 285 1HD2 LEU 38 1HD2 LEU 38 4.883 2.221 2.068 286 2HD2 LEU 38 2HD2 LEU 38 4.491 0.951 0.908 287 3HD2 LEU 38 3HD2 LEU 38 4.778 0.544 2.600 288 H GLU 39 H GLU 39 10.047 1.112 3.165 289 HA GLU 39 HA GLU 39 11.325 3.491 3.910 290 1HB GLU 39 1HB GLU 39 10.789 3.044 6.171 291 2HB GLU 39 2HB GLU 39 11.220 1.347 6.022 292 1HG GLU 39 1HG GLU 39 13.571 1.962 5.784 293 2HG GLU 39 2HG GLU 39 13.140 3.665 5.929 294 H THR 40 H THR 40 13.715 3.249 4.013 295 HA THR 40 HA THR 40 14.606 0.884 2.501 296 HB THR 40 HB THR 40 15.969 2.210 1.138 297 HG1 THR 40 HG1 THR 40 16.853 4.020 1.766 298 1HG2 THR 40 1HG2 THR 40 13.270 3.026 1.394 299 2HG2 THR 40 2HG2 THR 40 14.256 4.456 1.092 300 3HG2 THR 40 3HG2 THR 40 14.316 3.093 -0.025 301 H ASP 41 H ASP 41 15.916 3.595 4.389 302 HA ASP 41 HA ASP 41 17.117 1.958 6.349 303 1HB ASP 41 1HB ASP 41 18.563 1.575 4.232 304 2HB ASP 41 2HB ASP 41 19.172 3.199 4.538 305 H LYS 42 H LYS 42 17.196 5.021 4.599 306 HA LYS 42 HA LYS 42 17.819 6.397 7.125 307 1HB LYS 42 1HB LYS 42 18.523 6.905 4.303 308 2HB LYS 42 2HB LYS 42 18.090 8.329 5.240 309 1HG LYS 42 1HG LYS 42 20.266 6.348 5.877 310 2HG LYS 42 2HG LYS 42 20.471 8.006 5.310 311 1HD LYS 42 1HD LYS 42 19.121 8.647 7.419 312 2HD LYS 42 2HD LYS 42 19.528 7.024 7.980 313 1HE LYS 42 1HE LYS 42 21.919 7.546 7.625 314 2HE LYS 42 2HE LYS 42 21.466 9.190 7.174 315 1HZ LYS 42 1HZ LYS 42 20.237 8.756 9.583 316 2HZ LYS 42 2HZ LYS 42 21.761 8.047 9.767 317 3HZ LYS 42 3HZ LYS 42 21.635 9.673 9.320 318 H ALA 43 H ALA 43 15.612 6.308 4.383 319 HA ALA 43 HA ALA 43 13.849 8.190 5.811 320 1HB ALA 43 1HB ALA 43 14.832 8.526 3.317 321 2HB ALA 43 2HB ALA 43 13.301 9.203 3.877 322 3HB ALA 43 3HB ALA 43 13.317 7.695 2.960 323 H THR 44 H THR 44 11.732 7.652 6.160 324 HA THR 44 HA THR 44 10.870 4.977 5.275 325 HB THR 44 HB THR 44 10.091 4.398 7.379 326 HG1 THR 44 HG1 THR 44 10.032 7.168 7.922 327 1HG2 THR 44 1HG2 THR 44 12.660 4.979 7.341 328 2HG2 THR 44 2HG2 THR 44 12.154 6.195 8.513 329 3HG2 THR 44 3HG2 THR 44 11.839 4.488 8.823 330 H MET 45 H MET 45 8.933 4.899 4.314 331 HA MET 45 HA MET 45 7.198 7.272 4.542 332 1HB MET 45 1HB MET 45 8.314 6.013 2.238 333 2HB MET 45 2HB MET 45 6.570 5.797 2.188 334 1HG MET 45 1HG MET 45 8.117 8.368 2.295 335 2HG MET 45 2HG MET 45 7.055 7.787 1.015 336 1HE MET 45 1HE MET 45 5.570 9.791 0.746 337 2HE MET 45 2HE MET 45 4.564 8.347 0.852 338 3HE MET 45 3HE MET 45 4.078 9.823 1.686 339 H ASP 46 H ASP 46 4.990 6.256 3.206 340 HA ASP 46 HA ASP 46 4.067 3.758 4.036 341 1HB ASP 46 1HB ASP 46 2.482 4.534 5.850 342 2HB ASP 46 2HB ASP 46 4.181 4.478 6.308 343 H VAL 47 H VAL 47 1.550 3.718 4.001 344 HA VAL 47 HA VAL 47 0.641 5.677 1.993 345 HB VAL 47 HB VAL 47 -0.043 2.739 2.165 346 1HG1 VAL 47 1HG1 VAL 47 -1.481 4.968 0.961 347 2HG1 VAL 47 2HG1 VAL 47 -1.087 3.701 -0.203 348 3HG1 VAL 47 3HG1 VAL 47 -2.005 3.309 1.254 349 1HG2 VAL 47 1HG2 VAL 47 2.169 3.665 1.107 350 2HG2 VAL 47 2HG2 VAL 47 1.242 2.407 0.288 351 3HG2 VAL 47 3HG2 VAL 47 1.106 4.086 -0.235 352 HA PRO 48 HA PRO 48 -2.503 6.234 5.173 353 1HB PRO 48 1HB PRO 48 -3.316 8.653 4.440 354 2HB PRO 48 2HB PRO 48 -1.712 8.420 5.150 355 1HG PRO 48 1HG PRO 48 -2.483 8.795 2.285 356 2HG PRO 48 2HG PRO 48 -1.099 9.463 3.171 357 1HD PRO 48 1HD PRO 48 -1.027 7.219 1.525 358 2HD PRO 48 2HD PRO 48 0.175 7.620 2.766 359 H ALA 49 H ALA 49 -2.911 5.050 2.283 360 HA ALA 49 HA ALA 49 -4.650 4.374 0.984 361 1HB ALA 49 1HB ALA 49 -6.924 4.365 2.287 362 2HB ALA 49 2HB ALA 49 -5.630 3.251 2.728 363 3HB ALA 49 3HB ALA 49 -5.889 4.717 3.669 364 H GLU 50 H GLU 50 -5.006 5.722 -0.663 365 HA GLU 50 HA GLU 50 -6.592 8.150 -0.167 366 1HB GLU 50 1HB GLU 50 -4.563 7.496 -2.303 367 2HB GLU 50 2HB GLU 50 -5.664 8.860 -2.437 368 1HG GLU 50 1HG GLU 50 -4.119 8.668 0.068 369 2HG GLU 50 2HG GLU 50 -3.206 9.034 -1.396 370 H VAL 51 H VAL 51 -8.393 6.544 -0.147 371 HA VAL 51 HA VAL 51 -9.680 6.525 -2.726 372 HB VAL 51 HB VAL 51 -10.128 3.897 -2.136 373 1HG1 VAL 51 1HG1 VAL 51 -8.368 5.338 -4.040 374 2HG1 VAL 51 2HG1 VAL 51 -8.238 3.582 -3.952 375 3HG1 VAL 51 3HG1 VAL 51 -9.784 4.332 -4.343 376 1HG2 VAL 51 1HG2 VAL 51 -7.271 4.519 -1.410 377 2HG2 VAL 51 2HG2 VAL 51 -8.474 3.656 -0.452 378 3HG2 VAL 51 3HG2 VAL 51 -7.808 2.913 -1.907 379 H ALA 52 H ALA 52 -11.754 4.880 -2.336 380 HA ALA 52 HA ALA 52 -12.861 5.142 0.311 381 1HB ALA 52 1HB ALA 52 -13.222 7.389 -0.441 382 2HB ALA 52 2HB ALA 52 -13.958 6.806 -1.936 383 3HB ALA 52 3HB ALA 52 -14.766 6.536 -0.392 384 H GLY 53 H GLY 53 -12.648 2.804 -0.603 385 1HA GLY 53 1HA GLY 53 -14.180 1.659 -2.518 386 2HA GLY 53 2HA GLY 53 -15.342 1.985 -1.246 387 H VAL 54 H VAL 54 -13.591 -0.397 -2.515 388 HA VAL 54 HA VAL 54 -12.887 -1.682 0.028 389 HB VAL 54 HB VAL 54 -14.665 -2.926 -2.075 390 1HG1 VAL 54 1HG1 VAL 54 -13.202 -4.034 0.264 391 2HG1 VAL 54 2HG1 VAL 54 -14.823 -4.651 -0.066 392 3HG1 VAL 54 3HG1 VAL 54 -13.566 -4.770 -1.298 393 1HG2 VAL 54 1HG2 VAL 54 -15.232 -1.957 0.722 394 2HG2 VAL 54 2HG2 VAL 54 -15.939 -1.374 -0.785 395 3HG2 VAL 54 3HG2 VAL 54 -16.323 -2.993 -0.198 396 H VAL 55 H VAL 55 -11.138 -3.033 -0.092 397 HA VAL 55 HA VAL 55 -9.548 -2.943 -2.472 398 HB VAL 55 HB VAL 55 -9.086 -4.555 0.038 399 1HG1 VAL 55 1HG1 VAL 55 -7.875 -5.341 -2.014 400 2HG1 VAL 55 2HG1 VAL 55 -7.099 -3.757 -2.090 401 3HG1 VAL 55 3HG1 VAL 55 -6.821 -4.809 -0.702 402 1HG2 VAL 55 1HG2 VAL 55 -9.227 -1.974 0.163 403 2HG2 VAL 55 2HG2 VAL 55 -7.847 -2.789 0.899 404 3HG2 VAL 55 3HG2 VAL 55 -7.675 -2.011 -0.675 405 H LYS 56 H LYS 56 -8.965 -4.577 -3.832 406 HA LYS 56 HA LYS 56 -10.614 -7.017 -3.711 407 1HB LYS 56 1HB LYS 56 -9.467 -6.599 -6.318 408 2HB LYS 56 2HB LYS 56 -11.156 -6.778 -5.871 409 1HG LYS 56 1HG LYS 56 -10.224 -4.120 -5.241 410 2HG LYS 56 2HG LYS 56 -9.896 -4.526 -6.921 411 1HD LYS 56 1HD LYS 56 -12.030 -4.190 -7.426 412 2HD LYS 56 2HD LYS 56 -12.507 -5.447 -6.284 413 1HE LYS 56 1HE LYS 56 -11.791 -2.827 -5.128 414 2HE LYS 56 2HE LYS 56 -13.275 -2.879 -6.078 415 1HZ LYS 56 1HZ LYS 56 -13.822 -4.915 -4.654 416 2HZ LYS 56 2HZ LYS 56 -12.614 -4.357 -3.610 417 3HZ LYS 56 3HZ LYS 56 -13.962 -3.389 -3.937 418 H GLU 57 H GLU 57 -7.512 -5.632 -4.640 419 HA GLU 57 HA GLU 57 -6.359 -8.297 -4.397 420 1HB GLU 57 1HB GLU 57 -5.857 -6.079 -6.285 421 2HB GLU 57 2HB GLU 57 -4.445 -6.983 -5.753 422 1HG GLU 57 1HG GLU 57 -5.334 -9.021 -6.599 423 2HG GLU 57 2HG GLU 57 -6.897 -8.270 -6.920 424 H VAL 58 H VAL 58 -3.894 -8.129 -3.935 425 HA VAL 58 HA VAL 58 -3.059 -5.978 -2.214 426 HB VAL 58 HB VAL 58 -4.492 -7.292 -0.679 427 1HG1 VAL 58 1HG1 VAL 58 -3.494 -9.475 -1.998 428 2HG1 VAL 58 2HG1 VAL 58 -2.635 -9.533 -0.459 429 3HG1 VAL 58 3HG1 VAL 58 -4.398 -9.518 -0.484 430 1HG2 VAL 58 1HG2 VAL 58 -1.534 -7.140 -0.224 431 2HG2 VAL 58 2HG2 VAL 58 -2.814 -6.117 0.426 432 3HG2 VAL 58 3HG2 VAL 58 -2.613 -7.764 1.023 433 H LYS 59 H LYS 59 -0.967 -5.747 -2.591 434 HA LYS 59 HA LYS 59 0.676 -8.135 -3.067 435 1HB LYS 59 1HB LYS 59 1.106 -5.610 -4.630 436 2HB LYS 59 2HB LYS 59 1.674 -7.238 -4.986 437 1HG LYS 59 1HG LYS 59 -1.012 -7.603 -5.041 438 2HG LYS 59 2HG LYS 59 -0.879 -5.945 -5.628 439 1HD LYS 59 1HD LYS 59 0.945 -6.879 -7.193 440 2HD LYS 59 2HD LYS 59 0.266 -8.459 -6.795 441 1HE LYS 59 1HE LYS 59 -1.881 -7.819 -7.650 442 2HE LYS 59 2HE LYS 59 -1.349 -6.153 -7.873 443 1HZ LYS 59 1HZ LYS 59 0.125 -8.280 -9.248 444 2HZ LYS 59 2HZ LYS 59 -1.390 -7.838 -9.856 445 3HZ LYS 59 3HZ LYS 59 -0.160 -6.683 -9.727 446 H VAL 60 H VAL 60 1.134 -7.684 -0.773 447 HA VAL 60 HA VAL 60 3.619 -6.397 -0.468 448 HB VAL 60 HB VAL 60 2.736 -4.281 -0.404 449 1HG1 VAL 60 1HG1 VAL 60 0.267 -5.381 0.931 450 2HG1 VAL 60 2HG1 VAL 60 0.537 -3.683 0.543 451 3HG1 VAL 60 3HG1 VAL 60 0.425 -4.876 -0.753 452 1HG2 VAL 60 1HG2 VAL 60 3.721 -5.049 1.910 453 2HG2 VAL 60 2HG2 VAL 60 3.004 -3.450 1.714 454 3HG2 VAL 60 3HG2 VAL 60 2.074 -4.748 2.463 455 H LYS 61 H LYS 61 4.565 -6.813 1.532 456 HA LYS 61 HA LYS 61 2.995 -8.254 3.534 457 1HB LYS 61 1HB LYS 61 5.563 -9.406 2.442 458 2HB LYS 61 2HB LYS 61 4.465 -10.149 3.597 459 1HG LYS 61 1HG LYS 61 2.841 -9.704 1.435 460 2HG LYS 61 2HG LYS 61 4.385 -10.117 0.687 461 1HD LYS 61 1HD LYS 61 4.358 -12.248 1.486 462 2HD LYS 61 2HD LYS 61 3.489 -11.800 2.956 463 1HE LYS 61 1HE LYS 61 1.431 -11.945 1.945 464 2HE LYS 61 2HE LYS 61 2.077 -11.612 0.339 465 1HZ LYS 61 1HZ LYS 61 3.257 -13.932 0.866 466 2HZ LYS 61 2HZ LYS 61 1.830 -14.138 1.752 467 3HZ LYS 61 3HZ LYS 61 1.757 -13.812 0.095 468 H VAL 62 H VAL 62 5.069 -9.129 5.134 469 HA VAL 62 HA VAL 62 6.240 -6.574 6.001 470 HB VAL 62 HB VAL 62 5.765 -9.081 7.622 471 1HG1 VAL 62 1HG1 VAL 62 6.818 -6.359 8.369 472 2HG1 VAL 62 2HG1 VAL 62 6.250 -7.545 9.545 473 3HG1 VAL 62 3HG1 VAL 62 7.637 -7.914 8.520 474 1HG2 VAL 62 1HG2 VAL 62 4.234 -6.503 7.400 475 2HG2 VAL 62 2HG2 VAL 62 3.645 -8.149 7.168 476 3HG2 VAL 62 3HG2 VAL 62 4.077 -7.586 8.782 477 H GLY 63 H GLY 63 8.067 -6.698 4.627 478 1HA GLY 63 1HA GLY 63 10.023 -8.753 5.456 479 2HA GLY 63 2HA GLY 63 10.458 -7.088 5.103 480 H ASP 64 H ASP 64 8.410 -7.278 2.805 481 HA ASP 64 HA ASP 64 9.957 -8.959 0.968 482 1HB ASP 64 1HB ASP 64 8.014 -8.444 -0.607 483 2HB ASP 64 2HB ASP 64 7.646 -9.443 0.797 484 H LYS 65 H LYS 65 10.082 -8.004 -1.335 485 HA LYS 65 HA LYS 65 11.339 -5.385 -1.081 486 1HB LYS 65 1HB LYS 65 11.575 -7.675 -2.946 487 2HB LYS 65 2HB LYS 65 11.835 -6.078 -3.635 488 1HG LYS 65 1HG LYS 65 13.964 -6.686 -3.016 489 2HG LYS 65 2HG LYS 65 13.432 -5.752 -1.614 490 1HD LYS 65 1HD LYS 65 14.148 -7.550 -0.460 491 2HD LYS 65 2HD LYS 65 12.583 -8.225 -0.919 492 1HE LYS 65 1HE LYS 65 13.488 -9.619 -2.483 493 2HE LYS 65 2HE LYS 65 14.838 -8.538 -2.823 494 1HZ LYS 65 1HZ LYS 65 14.613 -9.980 -0.251 495 2HZ LYS 65 2HZ LYS 65 15.344 -10.687 -1.602 496 3HZ LYS 65 3HZ LYS 65 15.984 -9.267 -0.942 497 H ILE 66 H ILE 66 10.361 -3.580 -1.694 498 HA ILE 66 HA ILE 66 8.175 -3.776 -3.648 499 HB ILE 66 HB ILE 66 7.902 -3.063 -0.992 500 1HG1 ILE 66 1HG1 ILE 66 5.609 -2.407 -1.672 501 2HG1 ILE 66 2HG1 ILE 66 6.136 -2.429 -3.353 502 1HG2 ILE 66 1HG2 ILE 66 7.938 -0.532 -2.621 503 2HG2 ILE 66 2HG2 ILE 66 7.098 -0.688 -1.080 504 3HG2 ILE 66 3HG2 ILE 66 8.847 -0.896 -1.155 505 1HD1 ILE 66 1HD1 ILE 66 6.912 -4.888 -2.282 506 2HD1 ILE 66 2HD1 ILE 66 5.278 -4.591 -1.688 507 3HD1 ILE 66 3HD1 ILE 66 5.604 -4.570 -3.422 508 H SER 67 H SER 67 7.686 -1.625 -4.710 509 HA SER 67 HA SER 67 9.940 0.186 -4.936 510 1HB SER 67 1HB SER 67 10.258 -0.103 -7.309 511 2HB SER 67 2HB SER 67 10.413 -1.683 -6.543 512 HG SER 67 HG SER 67 8.877 -2.308 -7.815 513 H GLU 68 H GLU 68 9.367 2.213 -5.615 514 HA GLU 68 HA GLU 68 6.880 3.222 -5.231 515 1HB GLU 68 1HB GLU 68 8.792 4.241 -7.338 516 2HB GLU 68 2HB GLU 68 7.539 5.167 -6.523 517 1HG GLU 68 1HG GLU 68 8.774 4.636 -4.365 518 2HG GLU 68 2HG GLU 68 10.103 4.101 -5.392 519 H GLY 69 H GLY 69 5.169 2.056 -6.035 520 1HA GLY 69 1HA GLY 69 4.726 2.327 -8.925 521 2HA GLY 69 2HA GLY 69 3.476 2.094 -7.712 522 H GLY 70 H GLY 70 3.900 -0.073 -6.408 523 1HA GLY 70 1HA GLY 70 4.709 -2.360 -6.635 524 2HA GLY 70 2HA GLY 70 4.574 -2.169 -8.377 525 H LEU 71 H LEU 71 1.940 -0.699 -7.822 526 HA LEU 71 HA LEU 71 -0.282 -1.178 -7.638 527 1HB LEU 71 1HB LEU 71 0.436 -2.432 -9.707 528 2HB LEU 71 2HB LEU 71 0.527 -3.875 -8.716 529 HG LEU 71 HG LEU 71 -1.815 -3.898 -8.349 530 1HD1 LEU 71 1HD1 LEU 71 -1.606 -1.058 -9.059 531 2HD1 LEU 71 2HD1 LEU 71 -3.035 -1.882 -9.686 532 3HD1 LEU 71 3HD1 LEU 71 -2.709 -1.877 -7.952 533 1HD2 LEU 71 1HD2 LEU 71 -0.713 -4.116 -10.864 534 2HD2 LEU 71 2HD2 LEU 71 -2.326 -4.646 -10.389 535 3HD2 LEU 71 3HD2 LEU 71 -2.100 -3.057 -11.119 536 H ILE 72 H ILE 72 0.842 -1.396 -5.227 537 HA ILE 72 HA ILE 72 0.833 -3.748 -3.840 538 HB ILE 72 HB ILE 72 0.202 -0.938 -3.039 539 1HG1 ILE 72 1HG1 ILE 72 2.260 -2.578 -1.699 540 2HG1 ILE 72 2HG1 ILE 72 2.512 -2.293 -3.419 541 1HG2 ILE 72 1HG2 ILE 72 -0.504 -3.333 -1.481 542 2HG2 ILE 72 2HG2 ILE 72 0.461 -2.134 -0.616 543 3HG2 ILE 72 3HG2 ILE 72 -1.079 -1.672 -1.335 544 1HD1 ILE 72 1HD1 ILE 72 1.786 0.089 -1.897 545 2HD1 ILE 72 2HD1 ILE 72 3.320 -0.645 -1.433 546 3HD1 ILE 72 3HD1 ILE 72 3.048 -0.153 -3.105 547 H VAL 73 H VAL 73 -1.911 -1.619 -3.154 548 HA VAL 73 HA VAL 73 -3.667 -3.969 -3.435 549 HB VAL 73 HB VAL 73 -5.056 -3.116 -1.656 550 1HG1 VAL 73 1HG1 VAL 73 -2.402 -4.004 -1.336 551 2HG1 VAL 73 2HG1 VAL 73 -2.674 -2.759 -0.116 552 3HG1 VAL 73 3HG1 VAL 73 -3.744 -4.158 -0.203 553 1HG2 VAL 73 1HG2 VAL 73 -3.181 -0.763 -1.695 554 2HG2 VAL 73 2HG2 VAL 73 -4.929 -0.769 -1.929 555 3HG2 VAL 73 3HG2 VAL 73 -4.251 -1.117 -0.338 556 H VAL 74 H VAL 74 -5.594 -3.780 -4.443 557 HA VAL 74 HA VAL 74 -6.168 -1.211 -5.789 558 HB VAL 74 HB VAL 74 -6.820 -4.036 -6.667 559 1HG1 VAL 74 1HG1 VAL 74 -8.323 -1.867 -7.256 560 2HG1 VAL 74 2HG1 VAL 74 -7.143 -1.811 -8.565 561 3HG1 VAL 74 3HG1 VAL 74 -8.128 -3.254 -8.325 562 1HG2 VAL 74 1HG2 VAL 74 -4.535 -2.326 -7.098 563 2HG2 VAL 74 2HG2 VAL 74 -4.763 -4.025 -7.513 564 3HG2 VAL 74 3HG2 VAL 74 -5.306 -2.765 -8.622 565 H VAL 75 H VAL 75 -8.124 -0.283 -5.390 566 HA VAL 75 HA VAL 75 -10.096 -1.902 -3.935 567 HB VAL 75 HB VAL 75 -10.791 0.162 -2.786 568 1HG1 VAL 75 1HG1 VAL 75 -8.430 -1.361 -2.358 569 2HG1 VAL 75 2HG1 VAL 75 -8.120 0.305 -1.870 570 3HG1 VAL 75 3HG1 VAL 75 -9.472 -0.583 -1.166 571 1HG2 VAL 75 1HG2 VAL 75 -8.359 1.351 -4.103 572 2HG2 VAL 75 2HG2 VAL 75 -10.038 1.791 -4.417 573 3HG2 VAL 75 3HG2 VAL 75 -9.319 2.121 -2.842 574 H GLU 76 H GLU 76 -12.316 -0.897 -3.956 575 HA GLU 76 HA GLU 76 -13.135 -0.568 -6.691 576 1HB GLU 76 1HB GLU 76 -14.320 -1.521 -4.336 577 2HB GLU 76 2HB GLU 76 -15.216 -0.062 -4.737 578 1HG GLU 76 1HG GLU 76 -15.024 -1.343 -7.157 579 2HG GLU 76 2HG GLU 76 -15.222 -2.672 -6.017 580 H ALA 77 H ALA 77 -12.869 1.440 -3.829 581 HA ALA 77 HA ALA 77 -13.033 3.666 -3.471 582 1HB ALA 77 1HB ALA 77 -12.061 5.081 -5.059 583 2HB ALA 77 2HB ALA 77 -12.535 4.038 -6.399 584 3HB ALA 77 3HB ALA 77 -11.277 3.517 -5.280 585 H GLU 78 H GLU 78 -14.441 5.401 -3.505 586 HA GLU 78 HA GLU 78 -16.592 6.208 -3.511 587 1HB GLU 78 1HB GLU 78 -17.255 7.040 -5.716 588 2HB GLU 78 2HB GLU 78 -15.546 7.321 -5.411 589 1HG GLU 78 1HG GLU 78 -14.903 5.581 -6.875 590 2HG GLU 78 2HG GLU 78 -16.553 4.972 -6.987 591 H GLY 79 H GLY 79 -16.851 3.591 -2.960 592 1HA GLY 79 1HA GLY 79 -18.005 1.619 -4.007 593 2HA GLY 79 2HA GLY 79 -19.170 2.789 -4.607 594 H THR 80 H THR 80 -20.844 1.637 -3.545 595 HA THR 80 HA THR 80 -20.939 2.167 -0.650 596 HB THR 80 HB THR 80 -22.678 3.413 -1.572 597 HG1 THR 80 HG1 THR 80 -23.798 2.373 -0.094 598 1HG2 THR 80 1HG2 THR 80 -23.112 1.137 -3.474 599 2HG2 THR 80 2HG2 THR 80 -24.315 2.403 -3.217 600 3HG2 THR 80 3HG2 THR 80 -22.716 2.817 -3.836 601 H ALA 81 H ALA 81 -20.585 0.399 0.513 602 HA ALA 81 HA ALA 81 -21.783 -2.136 -0.396 603 1HB ALA 81 1HB ALA 81 -19.032 -1.526 0.438 604 2HB ALA 81 2HB ALA 81 -19.648 -2.811 -0.600 605 3HB ALA 81 3HB ALA 81 -19.728 -2.980 1.154 No H/Q in entry = 605 Start of MODEL 3 1 H1 ALA 1 H1 ALA 1 -13.486 5.603 -9.709 2 H2 ALA 1 H2 ALA 1 -14.761 5.651 -10.857 3 H3 ALA 1 H3 ALA 1 -15.088 5.238 -9.223 4 HA ALA 1 HA ALA 1 -15.095 3.225 -10.168 5 1HB ALA 1 1HB ALA 1 -14.442 4.139 -12.399 6 2HB ALA 1 2HB ALA 1 -12.755 3.994 -11.904 7 3HB ALA 1 3HB ALA 1 -13.763 2.552 -12.033 8 H LEU 2 H LEU 2 -13.284 1.385 -10.296 9 HA LEU 2 HA LEU 2 -12.219 1.086 -7.778 10 1HB LEU 2 1HB LEU 2 -11.289 -0.105 -10.388 11 2HB LEU 2 2HB LEU 2 -10.706 -0.630 -8.820 12 HG LEU 2 HG LEU 2 -13.554 -0.695 -8.764 13 1HD1 LEU 2 1HD1 LEU 2 -13.065 -0.826 -11.315 14 2HD1 LEU 2 2HD1 LEU 2 -12.546 -2.469 -10.942 15 3HD1 LEU 2 3HD1 LEU 2 -14.195 -1.962 -10.578 16 1HD2 LEU 2 1HD2 LEU 2 -11.255 -2.475 -8.348 17 2HD2 LEU 2 2HD2 LEU 2 -12.709 -2.248 -7.377 18 3HD2 LEU 2 3HD2 LEU 2 -12.755 -3.286 -8.801 19 H VAL 3 H VAL 3 -9.735 0.632 -7.466 20 HA VAL 3 HA VAL 3 -8.074 2.679 -8.695 21 HB VAL 3 HB VAL 3 -8.900 2.712 -5.807 22 1HG1 VAL 3 1HG1 VAL 3 -6.456 2.582 -5.746 23 2HG1 VAL 3 2HG1 VAL 3 -6.356 3.949 -6.861 24 3HG1 VAL 3 3HG1 VAL 3 -7.030 4.175 -5.247 25 1HG2 VAL 3 1HG2 VAL 3 -9.101 4.450 -8.131 26 2HG2 VAL 3 2HG2 VAL 3 -10.056 4.421 -6.649 27 3HG2 VAL 3 3HG2 VAL 3 -8.519 5.285 -6.691 28 H GLU 4 H GLU 4 -5.796 2.483 -8.051 29 HA GLU 4 HA GLU 4 -5.070 -0.170 -7.020 30 1HB GLU 4 1HB GLU 4 -3.771 1.126 -9.423 31 2HB GLU 4 2HB GLU 4 -3.424 -0.467 -8.764 32 1HG GLU 4 1HG GLU 4 -5.598 -1.264 -9.416 33 2HG GLU 4 2HG GLU 4 -6.065 0.350 -9.951 34 H LEU 5 H LEU 5 -3.856 0.150 -5.260 35 HA LEU 5 HA LEU 5 -2.572 2.653 -4.752 36 1HB LEU 5 1HB LEU 5 -3.258 0.323 -3.258 37 2HB LEU 5 2HB LEU 5 -1.559 0.661 -3.000 38 HG LEU 5 HG LEU 5 -2.834 1.736 -1.273 39 1HD1 LEU 5 1HD1 LEU 5 -1.802 3.685 -3.327 40 2HD1 LEU 5 2HD1 LEU 5 -2.220 4.114 -1.670 41 3HD1 LEU 5 3HD1 LEU 5 -0.911 2.974 -1.981 42 1HD2 LEU 5 1HD2 LEU 5 -4.497 2.658 -3.566 43 2HD2 LEU 5 2HD2 LEU 5 -4.990 2.027 -1.994 44 3HD2 LEU 5 3HD2 LEU 5 -4.381 3.678 -2.131 45 H LYS 6 H LYS 6 -0.270 2.880 -4.209 46 HA LYS 6 HA LYS 6 1.520 0.979 -5.492 47 1HB LYS 6 1HB LYS 6 1.371 3.884 -6.305 48 2HB LYS 6 2HB LYS 6 2.634 2.764 -6.797 49 1HG LYS 6 1HG LYS 6 0.441 1.391 -7.567 50 2HG LYS 6 2HG LYS 6 -0.124 3.051 -7.767 51 1HD LYS 6 1HD LYS 6 1.854 3.541 -9.141 52 2HD LYS 6 2HD LYS 6 2.383 1.867 -8.959 53 1HE LYS 6 1HE LYS 6 1.109 1.254 -10.671 54 2HE LYS 6 2HE LYS 6 -0.323 1.878 -9.851 55 1HZ LYS 6 1HZ LYS 6 1.520 3.477 -11.547 56 2HZ LYS 6 2HZ LYS 6 -0.004 2.908 -12.018 57 3HZ LYS 6 3HZ LYS 6 0.127 4.056 -10.781 58 H VAL 7 H VAL 7 3.668 1.145 -4.857 59 HA VAL 7 HA VAL 7 4.242 1.670 -2.245 60 HB VAL 7 HB VAL 7 6.151 1.864 -4.581 61 1HG1 VAL 7 1HG1 VAL 7 6.971 2.869 -2.426 62 2HG1 VAL 7 2HG1 VAL 7 6.841 1.259 -1.721 63 3HG1 VAL 7 3HG1 VAL 7 7.943 1.544 -3.064 64 1HG2 VAL 7 1HG2 VAL 7 4.905 -0.261 -4.421 65 2HG2 VAL 7 2HG2 VAL 7 6.636 -0.456 -4.157 66 3HG2 VAL 7 3HG2 VAL 7 5.530 -0.474 -2.788 67 HA PRO 8 HA PRO 8 4.407 6.095 -1.931 68 1HB PRO 8 1HB PRO 8 5.595 6.325 0.474 69 2HB PRO 8 2HB PRO 8 3.933 5.744 0.300 70 1HG PRO 8 1HG PRO 8 6.451 4.185 0.725 71 2HG PRO 8 2HG PRO 8 4.855 3.953 1.464 72 1HD PRO 8 1HD PRO 8 5.786 2.469 -0.636 73 2HD PRO 8 2HD PRO 8 4.064 2.765 -0.333 74 H ASP 9 H ASP 9 6.258 7.632 -0.762 75 HA ASP 9 HA ASP 9 8.548 7.354 -2.545 76 1HB ASP 9 1HB ASP 9 7.436 9.485 -2.611 77 2HB ASP 9 2HB ASP 9 7.518 9.638 -0.859 78 H ILE 10 H ILE 10 9.738 5.749 -1.455 79 HA ILE 10 HA ILE 10 10.649 6.360 1.260 80 HB ILE 10 HB ILE 10 11.858 4.065 0.905 81 1HG1 ILE 10 1HG1 ILE 10 10.707 2.560 -0.613 82 2HG1 ILE 10 2HG1 ILE 10 9.600 3.839 -1.097 83 1HG2 ILE 10 1HG2 ILE 10 9.773 4.763 2.322 84 2HG2 ILE 10 2HG2 ILE 10 8.896 3.815 1.120 85 3HG2 ILE 10 3HG2 ILE 10 10.166 3.060 2.085 86 1HD1 ILE 10 1HD1 ILE 10 11.477 5.071 -2.075 87 2HD1 ILE 10 2HD1 ILE 10 12.562 3.758 -1.618 88 3HD1 ILE 10 3HD1 ILE 10 11.279 3.473 -2.794 89 H GLY 11 H GLY 11 11.745 8.241 -0.035 90 1HA GLY 11 1HA GLY 11 14.534 7.407 -0.418 91 2HA GLY 11 2HA GLY 11 13.992 9.033 -0.033 92 H GLY 12 H GLY 12 14.488 6.685 -2.559 93 1HA GLY 12 1HA GLY 12 14.904 8.700 -4.514 94 2HA GLY 12 2HA GLY 12 13.325 7.963 -4.731 95 H HIS 13 H HIS 13 14.066 5.328 -3.902 96 HA HIS 13 HA HIS 13 15.457 4.501 -6.329 97 1HB HIS 13 1HB HIS 13 16.670 2.756 -4.783 98 2HB HIS 13 2HB HIS 13 17.337 4.370 -4.997 99 HD1 HIS 13 HD1 HIS 13 16.526 6.117 -3.005 100 HD2 HIS 13 HD2 HIS 13 16.404 2.045 -2.190 101 HE1 HIS 13 HE1 HIS 13 16.465 5.935 -0.498 102 HE2 HIS 13 HE2 HIS 13 16.491 3.460 -0.028 103 H GLU 14 H GLU 14 15.560 1.872 -6.118 104 HA GLU 14 HA GLU 14 12.756 1.097 -5.694 105 1HB GLU 14 1HB GLU 14 14.882 -0.253 -7.365 106 2HB GLU 14 2HB GLU 14 13.192 -0.730 -7.260 107 1HG GLU 14 1HG GLU 14 12.839 0.547 -9.033 108 2HG GLU 14 2HG GLU 14 13.082 1.936 -7.975 109 H ASN 15 H ASN 15 12.793 -1.516 -5.497 110 HA ASN 15 HA ASN 15 12.857 -3.124 -3.875 111 1HB ASN 15 1HB ASN 15 15.127 -3.986 -3.418 112 2HB ASN 15 2HB ASN 15 14.865 -3.672 -5.130 113 1HD2 ASN 15 2HD2 ASN 15 16.738 -2.977 -2.380 114 2HD2 ASN 15 1HD2 ASN 15 17.791 -1.814 -3.102 115 H VAL 16 H VAL 16 11.841 -2.299 -2.111 116 HA VAL 16 HA VAL 16 13.576 -1.486 0.094 117 HB VAL 16 HB VAL 16 12.077 0.337 0.762 118 1HG1 VAL 16 1HG1 VAL 16 14.080 0.575 -0.877 119 2HG1 VAL 16 2HG1 VAL 16 12.829 0.933 -2.068 120 3HG1 VAL 16 3HG1 VAL 16 12.990 1.940 -0.629 121 1HG2 VAL 16 1HG2 VAL 16 10.393 -0.799 -1.254 122 2HG2 VAL 16 2HG2 VAL 16 10.016 0.440 -0.059 123 3HG2 VAL 16 3HG2 VAL 16 10.692 0.899 -1.621 124 H ASP 17 H ASP 17 13.167 -2.880 1.664 125 HA ASP 17 HA ASP 17 10.969 -4.603 1.748 126 1HB ASP 17 1HB ASP 17 13.351 -4.455 3.067 127 2HB ASP 17 2HB ASP 17 12.223 -4.019 4.348 128 H ILE 18 H ILE 18 8.956 -4.406 2.464 129 HA ILE 18 HA ILE 18 7.906 -1.936 3.330 130 HB ILE 18 HB ILE 18 6.751 -4.728 3.344 131 1HG1 ILE 18 1HG1 ILE 18 5.558 -2.724 1.610 132 2HG1 ILE 18 2HG1 ILE 18 7.273 -2.950 1.285 133 1HG2 ILE 18 1HG2 ILE 18 5.406 -2.113 3.994 134 2HG2 ILE 18 2HG2 ILE 18 4.543 -3.604 3.619 135 3HG2 ILE 18 3HG2 ILE 18 5.579 -3.519 5.042 136 1HD1 ILE 18 1HD1 ILE 18 5.941 -5.483 1.590 137 2HD1 ILE 18 2HD1 ILE 18 5.172 -4.497 0.345 138 3HD1 ILE 18 3HD1 ILE 18 6.895 -4.863 0.242 139 H ILE 19 H ILE 19 6.670 -1.675 5.412 140 HA ILE 19 HA ILE 19 8.045 -3.108 7.586 141 HB ILE 19 HB ILE 19 9.109 -1.216 8.122 142 1HG1 ILE 19 1HG1 ILE 19 6.347 -0.322 8.957 143 2HG1 ILE 19 2HG1 ILE 19 7.511 -1.205 9.937 144 1HG2 ILE 19 1HG2 ILE 19 8.188 -0.260 5.848 145 2HG2 ILE 19 2HG2 ILE 19 7.234 0.750 6.931 146 3HG2 ILE 19 3HG2 ILE 19 8.988 0.777 7.025 147 1HD1 ILE 19 1HD1 ILE 19 8.088 1.529 8.852 148 2HD1 ILE 19 2HD1 ILE 19 7.254 1.274 10.384 149 3HD1 ILE 19 3HD1 ILE 19 8.897 0.671 10.163 150 H ALA 20 H ALA 20 5.116 -1.488 6.519 151 HA ALA 20 HA ALA 20 3.719 -2.727 8.797 152 1HB ALA 20 1HB ALA 20 3.835 -0.139 8.531 153 2HB ALA 20 2HB ALA 20 2.571 -0.402 7.329 154 3HB ALA 20 3HB ALA 20 2.321 -0.914 8.998 155 H VAL 21 H VAL 21 1.732 -3.721 8.433 156 HA VAL 21 HA VAL 21 0.929 -4.077 5.633 157 HB VAL 21 HB VAL 21 2.262 -6.035 6.226 158 1HG1 VAL 21 1HG1 VAL 21 1.578 -5.760 8.730 159 2HG1 VAL 21 2HG1 VAL 21 0.257 -6.842 8.286 160 3HG1 VAL 21 3HG1 VAL 21 1.930 -7.361 8.080 161 1HG2 VAL 21 1HG2 VAL 21 0.170 -6.180 4.798 162 2HG2 VAL 21 2HG2 VAL 21 0.750 -7.692 5.497 163 3HG2 VAL 21 3HG2 VAL 21 -0.630 -6.860 6.215 164 H GLU 22 H GLU 22 -1.136 -3.520 5.414 165 HA GLU 22 HA GLU 22 -3.071 -4.336 7.436 166 1HB GLU 22 1HB GLU 22 -3.054 -1.482 6.475 167 2HB GLU 22 2HB GLU 22 -3.983 -2.180 7.795 168 1HG GLU 22 1HG GLU 22 -1.601 -2.671 8.783 169 2HG GLU 22 2HG GLU 22 -1.131 -1.353 7.711 170 H VAL 23 H VAL 23 -2.648 -5.342 4.858 171 HA VAL 23 HA VAL 23 -5.177 -4.564 3.580 172 HB VAL 23 HB VAL 23 -3.937 -5.170 1.364 173 1HG1 VAL 23 1HG1 VAL 23 -4.182 -2.672 2.866 174 2HG1 VAL 23 2HG1 VAL 23 -2.959 -2.632 1.594 175 3HG1 VAL 23 3HG1 VAL 23 -4.628 -3.046 1.201 176 1HG2 VAL 23 1HG2 VAL 23 -1.840 -5.651 2.946 177 2HG2 VAL 23 2HG2 VAL 23 -1.669 -5.080 1.286 178 3HG2 VAL 23 3HG2 VAL 23 -1.557 -3.940 2.626 179 H ASN 24 H ASN 24 -6.477 -6.257 3.536 180 HA ASN 24 HA ASN 24 -5.343 -8.914 2.986 181 1HB ASN 24 1HB ASN 24 -6.754 -8.025 5.367 182 2HB ASN 24 2HB ASN 24 -7.545 -9.402 4.607 183 1HD2 ASN 24 2HD2 ASN 24 -5.068 -8.395 6.632 184 2HD2 ASN 24 1HD2 ASN 24 -4.209 -9.889 6.748 185 H VAL 25 H VAL 25 -7.095 -6.676 1.636 186 HA VAL 25 HA VAL 25 -8.705 -6.611 0.034 187 HB VAL 25 HB VAL 25 -8.398 -9.612 0.108 188 1HG1 VAL 25 1HG1 VAL 25 -10.540 -8.947 -0.880 189 2HG1 VAL 25 2HG1 VAL 25 -9.690 -7.873 -1.993 190 3HG1 VAL 25 3HG1 VAL 25 -9.448 -9.617 -2.093 191 1HG2 VAL 25 1HG2 VAL 25 -6.386 -8.171 -0.473 192 2HG2 VAL 25 2HG2 VAL 25 -6.849 -9.403 -1.647 193 3HG2 VAL 25 3HG2 VAL 25 -7.272 -7.714 -1.928 194 H GLY 26 H GLY 26 -10.691 -5.978 0.554 195 1HA GLY 26 1HA GLY 26 -12.369 -7.822 2.139 196 2HA GLY 26 2HA GLY 26 -12.998 -6.738 0.908 197 H ASP 27 H ASP 27 -10.522 -5.547 2.992 198 HA ASP 27 HA ASP 27 -12.189 -4.563 5.071 199 1HB ASP 27 1HB ASP 27 -10.161 -3.051 5.515 200 2HB ASP 27 2HB ASP 27 -9.916 -4.790 5.638 201 H THR 28 H THR 28 -13.161 -2.609 5.360 202 HA THR 28 HA THR 28 -13.761 -1.079 3.015 203 HB THR 28 HB THR 28 -14.444 -0.561 5.916 204 HG1 THR 28 HG1 THR 28 -15.764 -2.142 5.588 205 1HG2 THR 28 1HG2 THR 28 -14.623 1.380 4.210 206 2HG2 THR 28 2HG2 THR 28 -16.022 0.486 3.616 207 3HG2 THR 28 3HG2 THR 28 -15.973 1.036 5.291 208 H ILE 29 H ILE 29 -12.122 0.094 2.206 209 HA ILE 29 HA ILE 29 -10.327 1.558 3.951 210 HB ILE 29 HB ILE 29 -9.264 2.278 1.789 211 1HG1 ILE 29 1HG1 ILE 29 -10.436 0.199 0.177 212 2HG1 ILE 29 2HG1 ILE 29 -11.692 1.303 0.727 213 1HG2 ILE 29 1HG2 ILE 29 -9.517 -0.536 2.716 214 2HG2 ILE 29 2HG2 ILE 29 -8.638 -0.223 1.218 215 3HG2 ILE 29 3HG2 ILE 29 -8.116 0.537 2.721 216 1HD1 ILE 29 1HD1 ILE 29 -9.160 2.244 -0.582 217 2HD1 ILE 29 2HD1 ILE 29 -10.623 1.843 -1.483 218 3HD1 ILE 29 3HD1 ILE 29 -10.647 3.149 -0.299 219 H ALA 30 H ALA 30 -9.959 3.824 3.792 220 HA ALA 30 HA ALA 30 -12.245 5.354 2.736 221 1HB ALA 30 1HB ALA 30 -10.717 6.101 5.218 222 2HB ALA 30 2HB ALA 30 -12.233 6.781 4.626 223 3HB ALA 30 3HB ALA 30 -12.189 5.133 5.251 224 H VAL 31 H VAL 31 -11.437 7.882 3.010 225 HA VAL 31 HA VAL 31 -9.205 8.035 1.148 226 HB VAL 31 HB VAL 31 -10.839 10.349 2.170 227 1HG1 VAL 31 1HG1 VAL 31 -8.606 10.209 0.526 228 2HG1 VAL 31 2HG1 VAL 31 -9.960 10.418 -0.584 229 3HG1 VAL 31 3HG1 VAL 31 -9.695 11.583 0.713 230 1HG2 VAL 31 1HG2 VAL 31 -11.670 8.147 0.477 231 2HG2 VAL 31 2HG2 VAL 31 -12.629 9.440 1.198 232 3HG2 VAL 31 3HG2 VAL 31 -11.810 9.703 -0.341 233 H ASP 32 H ASP 32 -8.394 7.249 3.690 234 HA ASP 32 HA ASP 32 -6.185 8.708 4.235 235 1HB ASP 32 1HB ASP 32 -6.950 9.969 6.365 236 2HB ASP 32 2HB ASP 32 -7.276 10.706 4.800 237 H ASP 33 H ASP 33 -5.990 6.310 4.465 238 HA ASP 33 HA ASP 33 -6.022 5.637 7.296 239 1HB ASP 33 1HB ASP 33 -7.092 3.448 6.901 240 2HB ASP 33 2HB ASP 33 -8.178 4.785 6.533 241 H THR 34 H THR 34 -4.003 5.041 7.705 242 HA THR 34 HA THR 34 -2.074 4.400 5.833 243 HB THR 34 HB THR 34 -1.108 3.116 7.965 244 HG1 THR 34 HG1 THR 34 -2.199 3.526 9.698 245 1HG2 THR 34 1HG2 THR 34 -0.187 5.139 6.841 246 2HG2 THR 34 2HG2 THR 34 -1.233 6.108 7.882 247 3HG2 THR 34 3HG2 THR 34 0.022 5.092 8.593 248 H LEU 35 H LEU 35 -1.964 2.801 4.487 249 HA LEU 35 HA LEU 35 -3.274 0.268 5.060 250 1HB LEU 35 1HB LEU 35 -1.825 1.254 2.596 251 2HB LEU 35 2HB LEU 35 -2.644 -0.292 2.725 252 HG LEU 35 HG LEU 35 -3.982 2.407 2.928 253 1HD1 LEU 35 1HD1 LEU 35 -3.096 1.753 0.664 254 2HD1 LEU 35 2HD1 LEU 35 -4.206 0.384 0.714 255 3HD1 LEU 35 3HD1 LEU 35 -4.835 2.031 0.751 256 1HD2 LEU 35 1HD2 LEU 35 -4.914 -0.391 3.306 257 2HD2 LEU 35 2HD2 LEU 35 -5.399 1.087 4.137 258 3HD2 LEU 35 3HD2 LEU 35 -5.997 0.754 2.513 259 H ILE 36 H ILE 36 -0.064 1.603 4.462 260 HA ILE 36 HA ILE 36 1.142 -0.495 6.015 261 HB ILE 36 HB ILE 36 2.771 -1.184 4.252 262 1HG1 ILE 36 1HG1 ILE 36 2.368 -0.856 1.948 263 2HG1 ILE 36 2HG1 ILE 36 0.772 -0.174 2.233 264 1HG2 ILE 36 1HG2 ILE 36 0.562 -2.339 4.972 265 2HG2 ILE 36 2HG2 ILE 36 0.059 -1.961 3.326 266 3HG2 ILE 36 3HG2 ILE 36 1.488 -2.958 3.606 267 1HD1 ILE 36 1HD1 ILE 36 3.306 1.184 3.107 268 2HD1 ILE 36 2HD1 ILE 36 2.586 1.422 1.514 269 3HD1 ILE 36 3HD1 ILE 36 1.688 1.873 2.964 270 H THR 37 H THR 37 3.696 -0.272 5.604 271 HA THR 37 HA THR 37 4.402 2.555 5.424 272 HB THR 37 HB THR 37 5.397 0.740 7.631 273 HG1 THR 37 HG1 THR 37 3.274 2.573 7.542 274 1HG2 THR 37 1HG2 THR 37 6.816 2.721 6.855 275 2HG2 THR 37 2HG2 THR 37 5.560 3.725 7.579 276 3HG2 THR 37 3HG2 THR 37 6.454 2.578 8.575 277 H LEU 38 H LEU 38 6.250 2.869 4.293 278 HA LEU 38 HA LEU 38 7.797 0.462 3.598 279 1HB LEU 38 1HB LEU 38 6.965 2.845 2.000 280 2HB LEU 38 2HB LEU 38 8.423 1.978 1.557 281 HG LEU 38 HG LEU 38 6.796 1.050 0.185 282 1HD1 LEU 38 1HD1 LEU 38 8.054 -0.573 1.845 283 2HD1 LEU 38 2HD1 LEU 38 6.404 -0.910 2.369 284 3HD1 LEU 38 3HD1 LEU 38 6.862 -1.159 0.685 285 1HD2 LEU 38 1HD2 LEU 38 5.001 2.077 1.974 286 2HD2 LEU 38 2HD2 LEU 38 4.598 1.089 0.569 287 3HD2 LEU 38 3HD2 LEU 38 4.770 0.336 2.155 288 H GLU 39 H GLU 39 10.060 0.646 3.391 289 HA GLU 39 HA GLU 39 11.379 3.113 4.042 290 1HB GLU 39 1HB GLU 39 10.782 2.499 6.279 291 2HB GLU 39 2HB GLU 39 11.338 0.849 6.034 292 1HG GLU 39 1HG GLU 39 13.629 1.613 5.868 293 2HG GLU 39 2HG GLU 39 13.101 3.289 6.017 294 H THR 40 H THR 40 13.751 2.859 4.100 295 HA THR 40 HA THR 40 14.686 0.460 2.689 296 HB THR 40 HB THR 40 14.799 1.732 0.824 297 HG1 THR 40 HG1 THR 40 16.993 1.572 1.386 298 1HG2 THR 40 1HG2 THR 40 13.523 3.598 1.908 299 2HG2 THR 40 2HG2 THR 40 15.080 4.309 2.333 300 3HG2 THR 40 3HG2 THR 40 14.652 4.076 0.640 301 H ASP 41 H ASP 41 16.402 3.441 3.440 302 HA ASP 41 HA ASP 41 17.814 2.138 5.638 303 1HB ASP 41 1HB ASP 41 20.006 2.648 4.733 304 2HB ASP 41 2HB ASP 41 19.117 1.663 3.575 305 H LYS 42 H LYS 42 17.382 5.069 3.693 306 HA LYS 42 HA LYS 42 17.641 6.642 6.169 307 1HB LYS 42 1HB LYS 42 19.461 6.714 4.099 308 2HB LYS 42 2HB LYS 42 18.405 8.071 3.732 309 1HG LYS 42 1HG LYS 42 19.892 7.620 6.311 310 2HG LYS 42 2HG LYS 42 20.297 8.792 5.056 311 1HD LYS 42 1HD LYS 42 17.540 8.997 5.996 312 2HD LYS 42 2HD LYS 42 18.738 9.283 7.261 313 1HE LYS 42 1HE LYS 42 19.836 10.941 5.804 314 2HE LYS 42 2HE LYS 42 18.579 10.684 4.594 315 1HZ LYS 42 1HZ LYS 42 17.732 11.389 7.302 316 2HZ LYS 42 2HZ LYS 42 18.430 12.610 6.362 317 3HZ LYS 42 3HZ LYS 42 17.047 11.806 5.813 318 H ALA 43 H ALA 43 15.218 5.707 5.204 319 HA ALA 43 HA ALA 43 13.708 8.076 5.057 320 1HB ALA 43 1HB ALA 43 14.551 6.930 2.497 321 2HB ALA 43 2HB ALA 43 13.956 8.545 2.878 322 3HB ALA 43 3HB ALA 43 12.817 7.223 2.629 323 H THR 44 H THR 44 11.681 7.665 5.709 324 HA THR 44 HA THR 44 10.661 4.915 5.458 325 HB THR 44 HB THR 44 9.890 4.893 7.694 326 HG1 THR 44 HG1 THR 44 9.094 6.847 8.117 327 1HG2 THR 44 1HG2 THR 44 12.426 4.718 7.382 328 2HG2 THR 44 2HG2 THR 44 12.479 6.335 8.082 329 3HG2 THR 44 3HG2 THR 44 11.798 4.997 9.006 330 H MET 45 H MET 45 8.835 4.905 4.335 331 HA MET 45 HA MET 45 7.088 7.275 4.490 332 1HB MET 45 1HB MET 45 8.207 5.908 2.226 333 2HB MET 45 2HB MET 45 6.452 5.805 2.165 334 1HG MET 45 1HG MET 45 8.128 8.297 2.313 335 2HG MET 45 2HG MET 45 7.151 7.739 0.957 336 1HE MET 45 1HE MET 45 5.663 9.393 0.400 337 2HE MET 45 2HE MET 45 4.563 10.304 1.435 338 3HE MET 45 3HE MET 45 6.287 10.677 1.436 339 H ASP 46 H ASP 46 4.883 6.320 3.222 340 HA ASP 46 HA ASP 46 3.926 3.817 4.033 341 1HB ASP 46 1HB ASP 46 2.487 4.396 5.901 342 2HB ASP 46 2HB ASP 46 4.151 4.810 6.305 343 H VAL 47 H VAL 47 1.463 3.722 3.832 344 HA VAL 47 HA VAL 47 0.580 5.780 1.913 345 HB VAL 47 HB VAL 47 -0.106 2.841 1.855 346 1HG1 VAL 47 1HG1 VAL 47 -1.616 4.949 0.923 347 2HG1 VAL 47 2HG1 VAL 47 -0.708 4.442 -0.501 348 3HG1 VAL 47 3HG1 VAL 47 -1.713 3.279 0.363 349 1HG2 VAL 47 1HG2 VAL 47 2.249 3.728 1.125 350 2HG2 VAL 47 2HG2 VAL 47 1.388 2.554 0.129 351 3HG2 VAL 47 3HG2 VAL 47 1.374 4.262 -0.310 352 HA PRO 48 HA PRO 48 -2.759 5.949 4.954 353 1HB PRO 48 1HB PRO 48 -3.408 8.496 4.611 354 2HB PRO 48 2HB PRO 48 -1.869 8.064 5.371 355 1HG PRO 48 1HG PRO 48 -2.416 8.983 2.582 356 2HG PRO 48 2HG PRO 48 -1.064 9.391 3.651 357 1HD PRO 48 1HD PRO 48 -1.030 7.455 1.628 358 2HD PRO 48 2HD PRO 48 0.149 7.600 2.946 359 H ALA 49 H ALA 49 -3.090 4.928 2.170 360 HA ALA 49 HA ALA 49 -4.740 4.498 0.663 361 1HB ALA 49 1HB ALA 49 -7.092 5.315 1.930 362 2HB ALA 49 2HB ALA 49 -6.011 4.804 3.227 363 3HB ALA 49 3HB ALA 49 -6.394 3.695 1.910 364 H GLU 50 H GLU 50 -6.482 5.485 -0.686 365 HA GLU 50 HA GLU 50 -6.824 8.335 -0.550 366 1HB GLU 50 1HB GLU 50 -4.572 7.512 -1.866 367 2HB GLU 50 2HB GLU 50 -5.741 7.605 -3.177 368 1HG GLU 50 1HG GLU 50 -6.254 9.948 -2.059 369 2HG GLU 50 2HG GLU 50 -4.594 9.759 -1.495 370 H VAL 51 H VAL 51 -8.690 6.356 -0.393 371 HA VAL 51 HA VAL 51 -10.526 7.110 -2.396 372 HB VAL 51 HB VAL 51 -10.780 4.579 -3.171 373 1HG1 VAL 51 1HG1 VAL 51 -9.792 6.969 -4.273 374 2HG1 VAL 51 2HG1 VAL 51 -8.702 5.687 -4.800 375 3HG1 VAL 51 3HG1 VAL 51 -10.430 5.567 -5.129 376 1HG2 VAL 51 1HG2 VAL 51 -7.835 4.878 -2.575 377 2HG2 VAL 51 2HG2 VAL 51 -8.939 3.661 -1.935 378 3HG2 VAL 51 3HG2 VAL 51 -8.509 3.646 -3.644 379 H ALA 52 H ALA 52 -12.613 5.923 -2.196 380 HA ALA 52 HA ALA 52 -12.917 4.812 0.522 381 1HB ALA 52 1HB ALA 52 -14.799 6.571 -1.026 382 2HB ALA 52 2HB ALA 52 -15.175 5.804 0.518 383 3HB ALA 52 3HB ALA 52 -13.885 7.003 0.422 384 H GLY 53 H GLY 53 -12.781 2.649 -0.218 385 1HA GLY 53 1HA GLY 53 -14.039 1.437 -2.305 386 2HA GLY 53 2HA GLY 53 -15.314 1.623 -1.118 387 H VAL 54 H VAL 54 -13.765 -0.727 -2.288 388 HA VAL 54 HA VAL 54 -12.848 -1.925 0.242 389 HB VAL 54 HB VAL 54 -14.638 -3.247 -1.805 390 1HG1 VAL 54 1HG1 VAL 54 -12.780 -4.418 -0.081 391 2HG1 VAL 54 2HG1 VAL 54 -14.343 -4.645 0.702 392 3HG1 VAL 54 3HG1 VAL 54 -14.089 -5.226 -0.943 393 1HG2 VAL 54 1HG2 VAL 54 -15.157 -1.814 0.703 394 2HG2 VAL 54 2HG2 VAL 54 -16.229 -2.157 -0.655 395 3HG2 VAL 54 3HG2 VAL 54 -15.944 -3.388 0.577 396 H VAL 55 H VAL 55 -11.034 -3.170 0.094 397 HA VAL 55 HA VAL 55 -9.524 -3.045 -2.319 398 HB VAL 55 HB VAL 55 -8.938 -4.654 0.164 399 1HG1 VAL 55 1HG1 VAL 55 -7.762 -5.365 -1.946 400 2HG1 VAL 55 2HG1 VAL 55 -7.031 -3.759 -1.997 401 3HG1 VAL 55 3HG1 VAL 55 -6.695 -4.837 -0.642 402 1HG2 VAL 55 1HG2 VAL 55 -9.159 -2.037 0.225 403 2HG2 VAL 55 2HG2 VAL 55 -7.829 -2.847 1.050 404 3HG2 VAL 55 3HG2 VAL 55 -7.564 -2.098 -0.525 405 H LYS 56 H LYS 56 -8.955 -4.634 -3.726 406 HA LYS 56 HA LYS 56 -10.531 -7.120 -3.586 407 1HB LYS 56 1HB LYS 56 -9.405 -6.669 -6.195 408 2HB LYS 56 2HB LYS 56 -11.094 -6.854 -5.741 409 1HG LYS 56 1HG LYS 56 -9.633 -4.245 -5.485 410 2HG LYS 56 2HG LYS 56 -10.460 -4.732 -6.964 411 1HD LYS 56 1HD LYS 56 -11.866 -4.729 -4.311 412 2HD LYS 56 2HD LYS 56 -11.742 -3.265 -5.287 413 1HE LYS 56 1HE LYS 56 -13.661 -4.004 -6.200 414 2HE LYS 56 2HE LYS 56 -12.591 -5.038 -7.146 415 1HZ LYS 56 1HZ LYS 56 -12.985 -6.433 -4.842 416 2HZ LYS 56 2HZ LYS 56 -14.503 -5.750 -5.138 417 3HZ LYS 56 3HZ LYS 56 -13.766 -6.717 -6.315 418 H GLU 57 H GLU 57 -7.471 -5.701 -4.633 419 HA GLU 57 HA GLU 57 -6.257 -8.335 -4.333 420 1HB GLU 57 1HB GLU 57 -5.795 -6.119 -6.240 421 2HB GLU 57 2HB GLU 57 -4.376 -7.017 -5.719 422 1HG GLU 57 1HG GLU 57 -6.782 -8.486 -6.694 423 2HG GLU 57 2HG GLU 57 -5.678 -7.739 -7.847 424 H VAL 58 H VAL 58 -3.801 -8.132 -3.865 425 HA VAL 58 HA VAL 58 -2.958 -5.941 -2.214 426 HB VAL 58 HB VAL 58 -4.370 -7.054 -0.578 427 1HG1 VAL 58 1HG1 VAL 58 -3.412 -9.409 -1.850 428 2HG1 VAL 58 2HG1 VAL 58 -3.004 -9.492 -0.135 429 3HG1 VAL 58 3HG1 VAL 58 -4.679 -9.248 -0.633 430 1HG2 VAL 58 1HG2 VAL 58 -1.768 -6.348 -0.206 431 2HG2 VAL 58 2HG2 VAL 58 -2.886 -6.791 1.086 432 3HG2 VAL 58 3HG2 VAL 58 -1.781 -7.996 0.423 433 H LYS 59 H LYS 59 -0.880 -5.759 -2.644 434 HA LYS 59 HA LYS 59 0.735 -8.194 -2.979 435 1HB LYS 59 1HB LYS 59 1.382 -5.793 -4.623 436 2HB LYS 59 2HB LYS 59 1.659 -7.495 -4.970 437 1HG LYS 59 1HG LYS 59 -1.078 -7.334 -4.942 438 2HG LYS 59 2HG LYS 59 -0.604 -5.787 -5.645 439 1HD LYS 59 1HD LYS 59 0.914 -7.137 -7.184 440 2HD LYS 59 2HD LYS 59 0.025 -8.556 -6.626 441 1HE LYS 59 1HE LYS 59 -1.847 -6.525 -7.339 442 2HE LYS 59 2HE LYS 59 -0.690 -6.713 -8.657 443 1HZ LYS 59 1HZ LYS 59 -1.936 -9.085 -7.428 444 2HZ LYS 59 2HZ LYS 59 -2.773 -8.197 -8.600 445 3HZ LYS 59 3HZ LYS 59 -1.286 -8.905 -8.980 446 H VAL 60 H VAL 60 0.942 -7.396 -0.618 447 HA VAL 60 HA VAL 60 3.539 -6.343 -0.290 448 HB VAL 60 HB VAL 60 2.831 -4.172 -0.668 449 1HG1 VAL 60 1HG1 VAL 60 0.265 -4.837 0.766 450 2HG1 VAL 60 2HG1 VAL 60 0.685 -3.240 0.147 451 3HG1 VAL 60 3HG1 VAL 60 0.485 -4.594 -0.968 452 1HG2 VAL 60 1HG2 VAL 60 3.784 -4.558 1.707 453 2HG2 VAL 60 2HG2 VAL 60 3.056 -3.001 1.322 454 3HG2 VAL 60 3HG2 VAL 60 2.147 -4.195 2.248 455 H LYS 61 H LYS 61 4.253 -6.418 1.868 456 HA LYS 61 HA LYS 61 2.606 -6.961 4.087 457 1HB LYS 61 1HB LYS 61 3.607 -9.405 4.306 458 2HB LYS 61 2HB LYS 61 2.090 -9.106 3.468 459 1HG LYS 61 1HG LYS 61 4.528 -8.967 1.817 460 2HG LYS 61 2HG LYS 61 4.097 -10.559 2.446 461 1HD LYS 61 1HD LYS 61 1.693 -9.512 1.544 462 2HD LYS 61 2HD LYS 61 2.867 -9.001 0.329 463 1HE LYS 61 1HE LYS 61 3.665 -11.488 0.492 464 2HE LYS 61 2HE LYS 61 2.048 -11.753 1.143 465 1HZ LYS 61 1HZ LYS 61 1.256 -10.517 -0.918 466 2HZ LYS 61 2HZ LYS 61 2.810 -10.771 -1.537 467 3HZ LYS 61 3HZ LYS 61 1.832 -12.093 -1.135 468 H VAL 62 H VAL 62 4.017 -8.012 5.918 469 HA VAL 62 HA VAL 62 6.381 -6.383 6.098 470 HB VAL 62 HB VAL 62 5.300 -8.425 8.045 471 1HG1 VAL 62 1HG1 VAL 62 7.794 -7.197 7.993 472 2HG1 VAL 62 2HG1 VAL 62 6.861 -6.268 9.166 473 3HG1 VAL 62 3HG1 VAL 62 7.043 -8.011 9.365 474 1HG2 VAL 62 1HG2 VAL 62 4.122 -6.066 7.290 475 2HG2 VAL 62 2HG2 VAL 62 3.865 -6.896 8.825 476 3HG2 VAL 62 3HG2 VAL 62 5.051 -5.595 8.714 477 H GLY 63 H GLY 63 7.321 -7.611 4.164 478 1HA GLY 63 1HA GLY 63 8.374 -10.242 4.736 479 2HA GLY 63 2HA GLY 63 9.576 -8.963 4.794 480 H ASP 64 H ASP 64 9.108 -7.368 2.742 481 HA ASP 64 HA ASP 64 9.980 -8.859 0.512 482 1HB ASP 64 1HB ASP 64 8.060 -8.496 -0.999 483 2HB ASP 64 2HB ASP 64 7.651 -9.556 0.347 484 H LYS 65 H LYS 65 11.083 -7.562 -0.818 485 HA LYS 65 HA LYS 65 11.248 -4.764 -0.224 486 1HB LYS 65 1HB LYS 65 12.533 -6.287 -2.497 487 2HB LYS 65 2HB LYS 65 13.005 -4.703 -1.896 488 1HG LYS 65 1HG LYS 65 13.058 -6.484 0.298 489 2HG LYS 65 2HG LYS 65 13.882 -7.271 -1.049 490 1HD LYS 65 1HD LYS 65 14.543 -4.429 -0.629 491 2HD LYS 65 2HD LYS 65 15.073 -5.534 0.641 492 1HE LYS 65 1HE LYS 65 15.643 -5.898 -2.297 493 2HE LYS 65 2HE LYS 65 16.764 -5.175 -1.144 494 1HZ LYS 65 1HZ LYS 65 16.408 -7.371 0.135 495 2HZ LYS 65 2HZ LYS 65 15.869 -7.972 -1.352 496 3HZ LYS 65 3HZ LYS 65 17.439 -7.360 -1.205 497 H ILE 66 H ILE 66 9.984 -3.243 -1.033 498 HA ILE 66 HA ILE 66 8.549 -3.781 -3.531 499 HB ILE 66 HB ILE 66 7.520 -3.047 -1.142 500 1HG1 ILE 66 1HG1 ILE 66 5.479 -2.433 -2.408 501 2HG1 ILE 66 2HG1 ILE 66 6.444 -2.375 -3.882 502 1HG2 ILE 66 1HG2 ILE 66 7.854 -0.463 -2.647 503 2HG2 ILE 66 2HG2 ILE 66 6.737 -0.706 -1.305 504 3HG2 ILE 66 3HG2 ILE 66 8.474 -0.854 -1.044 505 1HD1 ILE 66 1HD1 ILE 66 7.004 -4.843 -2.710 506 2HD1 ILE 66 2HD1 ILE 66 5.258 -4.625 -2.571 507 3HD1 ILE 66 3HD1 ILE 66 6.035 -4.528 -4.152 508 H SER 67 H SER 67 8.006 -1.647 -4.767 509 HA SER 67 HA SER 67 10.241 0.230 -4.733 510 1HB SER 67 1HB SER 67 9.409 -1.111 -7.308 511 2HB SER 67 2HB SER 67 10.793 -0.053 -7.038 512 HG SER 67 HG SER 67 11.502 -2.174 -7.050 513 H GLU 68 H GLU 68 9.704 2.267 -5.315 514 HA GLU 68 HA GLU 68 7.221 3.302 -5.154 515 1HB GLU 68 1HB GLU 68 9.513 4.252 -6.869 516 2HB GLU 68 2HB GLU 68 8.055 5.199 -6.606 517 1HG GLU 68 1HG GLU 68 8.538 5.578 -4.383 518 2HG GLU 68 2HG GLU 68 9.608 4.181 -4.271 519 H GLY 69 H GLY 69 5.399 3.368 -6.326 520 1HA GLY 69 1HA GLY 69 5.368 3.230 -9.179 521 2HA GLY 69 2HA GLY 69 3.965 3.193 -8.122 522 H GLY 70 H GLY 70 3.940 1.016 -6.762 523 1HA GLY 70 1HA GLY 70 4.754 -1.374 -7.093 524 2HA GLY 70 2HA GLY 70 4.227 -1.139 -8.754 525 H LEU 71 H LEU 71 2.442 -2.291 -9.059 526 HA LEU 71 HA LEU 71 -0.001 -1.662 -7.934 527 1HB LEU 71 1HB LEU 71 0.435 -3.006 -10.030 528 2HB LEU 71 2HB LEU 71 0.720 -4.390 -8.991 529 HG LEU 71 HG LEU 71 -1.528 -4.501 -8.315 530 1HD1 LEU 71 1HD1 LEU 71 -1.569 -1.646 -9.062 531 2HD1 LEU 71 2HD1 LEU 71 -3.055 -2.549 -9.347 532 3HD1 LEU 71 3HD1 LEU 71 -2.361 -2.484 -7.727 533 1HD2 LEU 71 1HD2 LEU 71 -1.201 -3.867 -11.219 534 2HD2 LEU 71 2HD2 LEU 71 -1.484 -5.422 -10.438 535 3HD2 LEU 71 3HD2 LEU 71 -2.792 -4.246 -10.562 536 H ILE 72 H ILE 72 -0.009 -1.538 -5.744 537 HA ILE 72 HA ILE 72 0.777 -3.860 -4.183 538 HB ILE 72 HB ILE 72 0.347 -0.980 -3.622 539 1HG1 ILE 72 1HG1 ILE 72 2.230 -2.548 -2.020 540 2HG1 ILE 72 2HG1 ILE 72 2.487 -2.688 -3.756 541 1HG2 ILE 72 1HG2 ILE 72 -0.495 -3.100 -1.720 542 2HG2 ILE 72 2HG2 ILE 72 0.460 -1.762 -1.076 543 3HG2 ILE 72 3HG2 ILE 72 -1.067 -1.441 -1.898 544 1HD1 ILE 72 1HD1 ILE 72 2.122 0.004 -2.553 545 2HD1 ILE 72 2HD1 ILE 72 3.669 -0.825 -2.385 546 3HD1 ILE 72 3HD1 ILE 72 3.024 -0.478 -3.991 547 H VAL 73 H VAL 73 -1.976 -1.661 -3.637 548 HA VAL 73 HA VAL 73 -3.714 -4.038 -3.585 549 HB VAL 73 HB VAL 73 -4.950 -3.143 -1.712 550 1HG1 VAL 73 1HG1 VAL 73 -2.233 -3.988 -1.605 551 2HG1 VAL 73 2HG1 VAL 73 -2.516 -2.821 -0.312 552 3HG1 VAL 73 3HG1 VAL 73 -3.526 -4.263 -0.437 553 1HG2 VAL 73 1HG2 VAL 73 -4.634 -0.757 -2.227 554 2HG2 VAL 73 2HG2 VAL 73 -4.277 -1.131 -0.540 555 3HG2 VAL 73 3HG2 VAL 73 -2.959 -0.876 -1.685 556 H VAL 74 H VAL 74 -5.655 -3.887 -4.523 557 HA VAL 74 HA VAL 74 -6.335 -1.334 -5.833 558 HB VAL 74 HB VAL 74 -7.130 -4.163 -6.564 559 1HG1 VAL 74 1HG1 VAL 74 -8.559 -1.894 -7.101 560 2HG1 VAL 74 2HG1 VAL 74 -7.551 -2.049 -8.539 561 3HG1 VAL 74 3HG1 VAL 74 -8.605 -3.377 -8.055 562 1HG2 VAL 74 1HG2 VAL 74 -4.989 -2.331 -7.504 563 2HG2 VAL 74 2HG2 VAL 74 -4.973 -4.085 -7.307 564 3HG2 VAL 74 3HG2 VAL 74 -5.785 -3.358 -8.695 565 H VAL 75 H VAL 75 -8.315 -0.409 -5.427 566 HA VAL 75 HA VAL 75 -10.150 -1.926 -3.705 567 HB VAL 75 HB VAL 75 -10.762 0.440 -2.817 568 1HG1 VAL 75 1HG1 VAL 75 -8.414 -1.245 -2.046 569 2HG1 VAL 75 2HG1 VAL 75 -8.824 0.206 -1.132 570 3HG1 VAL 75 3HG1 VAL 75 -9.991 -1.108 -1.268 571 1HG2 VAL 75 1HG2 VAL 75 -8.032 0.866 -3.987 572 2HG2 VAL 75 2HG2 VAL 75 -9.480 1.855 -4.174 573 3HG2 VAL 75 3HG2 VAL 75 -8.628 1.823 -2.632 574 H GLU 76 H GLU 76 -12.363 -0.967 -3.621 575 HA GLU 76 HA GLU 76 -13.403 -0.783 -6.265 576 1HB GLU 76 1HB GLU 76 -14.429 -1.604 -3.894 577 2HB GLU 76 2HB GLU 76 -15.137 0.003 -4.001 578 1HG GLU 76 1HG GLU 76 -16.016 -0.588 -6.242 579 2HG GLU 76 2HG GLU 76 -15.409 -2.226 -6.002 580 H ALA 77 H ALA 77 -12.852 1.510 -3.652 581 HA ALA 77 HA ALA 77 -12.897 3.765 -3.533 582 1HB ALA 77 1HB ALA 77 -11.158 3.734 -5.084 583 2HB ALA 77 2HB ALA 77 -12.239 3.344 -6.421 584 3HB ALA 77 3HB ALA 77 -12.290 4.945 -5.685 585 H GLU 78 H GLU 78 -14.550 5.056 -3.187 586 HA GLU 78 HA GLU 78 -16.706 5.825 -3.226 587 1HB GLU 78 1HB GLU 78 -17.250 7.049 -5.285 588 2HB GLU 78 2HB GLU 78 -15.593 7.335 -4.770 589 1HG GLU 78 1HG GLU 78 -14.731 5.930 -6.473 590 2HG GLU 78 2HG GLU 78 -16.335 5.317 -6.869 591 H GLY 79 H GLY 79 -16.769 3.090 -3.314 592 1HA GLY 79 1HA GLY 79 -18.068 1.290 -3.904 593 2HA GLY 79 2HA GLY 79 -18.257 2.031 -5.486 594 H THR 80 H THR 80 -20.173 2.909 -6.014 595 HA THR 80 HA THR 80 -22.136 3.309 -3.855 596 HB THR 80 HB THR 80 -23.300 4.819 -5.468 597 HG1 THR 80 HG1 THR 80 -20.945 4.465 -7.006 598 1HG2 THR 80 1HG2 THR 80 -20.451 5.516 -4.816 599 2HG2 THR 80 2HG2 THR 80 -21.635 6.659 -5.450 600 3HG2 THR 80 3HG2 THR 80 -21.895 5.901 -3.880 601 H ALA 81 H ALA 81 -22.368 2.773 -7.370 602 HA ALA 81 HA ALA 81 -23.574 1.295 -8.611 603 1HB ALA 81 1HB ALA 81 -23.525 -0.900 -7.994 604 2HB ALA 81 2HB ALA 81 -22.324 -0.262 -6.871 605 3HB ALA 81 3HB ALA 81 -23.975 -0.557 -6.324 No H/Q in entry = 605 Start of MODEL 4 1 H1 ALA 1 H1 ALA 1 -13.817 5.838 -9.005 2 H2 ALA 1 H2 ALA 1 -13.174 6.180 -10.556 3 H3 ALA 1 H3 ALA 1 -14.871 6.024 -10.346 4 HA ALA 1 HA ALA 1 -14.807 3.805 -10.147 5 1HB ALA 1 1HB ALA 1 -13.964 3.143 -12.138 6 2HB ALA 1 2HB ALA 1 -12.382 3.860 -11.832 7 3HB ALA 1 3HB ALA 1 -13.725 4.877 -12.351 8 H LEU 2 H LEU 2 -12.994 1.861 -10.393 9 HA LEU 2 HA LEU 2 -12.034 1.427 -7.843 10 1HB LEU 2 1HB LEU 2 -11.019 0.300 -10.453 11 2HB LEU 2 2HB LEU 2 -10.588 -0.325 -8.872 12 HG LEU 2 HG LEU 2 -13.431 -0.230 -9.030 13 1HD1 LEU 2 1HD1 LEU 2 -12.835 -0.254 -11.527 14 2HD1 LEU 2 2HD1 LEU 2 -12.298 -1.908 -11.238 15 3HD1 LEU 2 3HD1 LEU 2 -13.975 -1.458 -10.930 16 1HD2 LEU 2 1HD2 LEU 2 -11.467 -1.850 -8.010 17 2HD2 LEU 2 2HD2 LEU 2 -13.194 -2.209 -8.018 18 3HD2 LEU 2 3HD2 LEU 2 -12.156 -2.840 -9.297 19 H VAL 3 H VAL 3 -9.582 0.886 -7.466 20 HA VAL 3 HA VAL 3 -7.858 2.985 -8.542 21 HB VAL 3 HB VAL 3 -8.698 2.737 -5.678 22 1HG1 VAL 3 1HG1 VAL 3 -6.264 2.444 -5.587 23 2HG1 VAL 3 2HG1 VAL 3 -6.056 3.924 -6.528 24 3HG1 VAL 3 3HG1 VAL 3 -6.761 3.998 -4.912 25 1HG2 VAL 3 1HG2 VAL 3 -8.808 4.689 -7.795 26 2HG2 VAL 3 2HG2 VAL 3 -9.683 4.636 -6.266 27 3HG2 VAL 3 3HG2 VAL 3 -8.079 5.363 -6.337 28 H GLU 4 H GLU 4 -5.575 2.669 -7.941 29 HA GLU 4 HA GLU 4 -4.924 -0.127 -7.307 30 1HB GLU 4 1HB GLU 4 -3.175 1.268 -9.257 31 2HB GLU 4 2HB GLU 4 -3.628 -0.427 -9.165 32 1HG GLU 4 1HG GLU 4 -5.949 0.379 -9.942 33 2HG GLU 4 2HG GLU 4 -5.101 1.849 -10.422 34 H LEU 5 H LEU 5 -4.289 0.419 -5.214 35 HA LEU 5 HA LEU 5 -2.786 2.553 -4.366 36 1HB LEU 5 1HB LEU 5 -3.676 0.185 -3.241 37 2HB LEU 5 2HB LEU 5 -1.931 0.075 -3.093 38 HG LEU 5 HG LEU 5 -3.151 1.064 -1.116 39 1HD1 LEU 5 1HD1 LEU 5 -0.693 1.695 -2.272 40 2HD1 LEU 5 2HD1 LEU 5 -1.390 3.241 -1.787 41 3HD1 LEU 5 3HD1 LEU 5 -1.186 1.954 -0.599 42 1HD2 LEU 5 1HD2 LEU 5 -4.374 2.622 -3.044 43 2HD2 LEU 5 2HD2 LEU 5 -4.430 2.881 -1.301 44 3HD2 LEU 5 3HD2 LEU 5 -3.228 3.723 -2.279 45 H LYS 6 H LYS 6 -0.529 2.807 -3.868 46 HA LYS 6 HA LYS 6 1.330 1.079 -5.299 47 1HB LYS 6 1HB LYS 6 1.057 4.037 -5.844 48 2HB LYS 6 2HB LYS 6 2.396 3.045 -6.400 49 1HG LYS 6 1HG LYS 6 0.287 1.626 -7.336 50 2HG LYS 6 2HG LYS 6 -0.343 3.273 -7.425 51 1HD LYS 6 1HD LYS 6 2.171 3.585 -8.432 52 2HD LYS 6 2HD LYS 6 1.760 1.965 -8.998 53 1HE LYS 6 1HE LYS 6 -0.120 4.282 -9.331 54 2HE LYS 6 2HE LYS 6 1.157 3.953 -10.501 55 1HZ LYS 6 1HZ LYS 6 -0.783 1.871 -9.699 56 2HZ LYS 6 2HZ LYS 6 -1.122 2.961 -10.946 57 3HZ LYS 6 3HZ LYS 6 0.204 1.918 -11.072 58 H VAL 7 H VAL 7 3.477 1.247 -4.623 59 HA VAL 7 HA VAL 7 3.964 1.641 -1.943 60 HB VAL 7 HB VAL 7 5.931 1.876 -4.227 61 1HG1 VAL 7 1HG1 VAL 7 6.701 2.816 -2.018 62 2HG1 VAL 7 2HG1 VAL 7 6.556 1.183 -1.369 63 3HG1 VAL 7 3HG1 VAL 7 7.687 1.513 -2.681 64 1HG2 VAL 7 1HG2 VAL 7 4.601 -0.240 -4.075 65 2HG2 VAL 7 2HG2 VAL 7 6.347 -0.442 -3.956 66 3HG2 VAL 7 3HG2 VAL 7 5.350 -0.518 -2.502 67 HA PRO 8 HA PRO 8 4.046 6.037 -1.441 68 1HB PRO 8 1HB PRO 8 5.550 6.209 0.824 69 2HB PRO 8 2HB PRO 8 3.849 5.729 0.814 70 1HG PRO 8 1HG PRO 8 6.298 4.022 0.981 71 2HG PRO 8 2HG PRO 8 4.757 3.855 1.839 72 1HD PRO 8 1HD PRO 8 5.412 2.348 -0.319 73 2HD PRO 8 2HD PRO 8 3.740 2.798 0.064 74 H ASP 9 H ASP 9 5.933 7.618 -0.432 75 HA ASP 9 HA ASP 9 8.076 7.439 -2.416 76 1HB ASP 9 1HB ASP 9 6.524 9.476 -2.121 77 2HB ASP 9 2HB ASP 9 7.463 9.811 -0.671 78 H ILE 10 H ILE 10 8.985 5.707 -0.925 79 HA ILE 10 HA ILE 10 10.040 6.417 1.598 80 HB ILE 10 HB ILE 10 11.619 4.412 1.122 81 1HG1 ILE 10 1HG1 ILE 10 10.981 2.914 -0.613 82 2HG1 ILE 10 2HG1 ILE 10 9.527 3.836 -0.975 83 1HG2 ILE 10 1HG2 ILE 10 9.540 4.510 2.555 84 2HG2 ILE 10 2HG2 ILE 10 8.671 3.832 1.175 85 3HG2 ILE 10 3HG2 ILE 10 9.982 2.922 1.929 86 1HD1 ILE 10 1HD1 ILE 10 12.275 4.970 -1.365 87 2HD1 ILE 10 2HD1 ILE 10 11.455 4.018 -2.603 88 3HD1 ILE 10 3HD1 ILE 10 10.745 5.531 -2.039 89 H GLY 11 H GLY 11 10.999 7.374 -1.492 90 1HA GLY 11 1HA GLY 11 13.084 8.979 -0.646 91 2HA GLY 11 2HA GLY 11 12.860 8.438 -2.302 92 H GLY 12 H GLY 12 13.657 6.175 -2.756 93 1HA GLY 12 1HA GLY 12 15.349 4.644 -1.324 94 2HA GLY 12 2HA GLY 12 16.374 6.000 -1.766 95 H HIS 13 H HIS 13 14.047 3.779 -3.299 96 HA HIS 13 HA HIS 13 14.869 3.999 -5.912 97 1HB HIS 13 1HB HIS 13 16.306 1.812 -5.973 98 2HB HIS 13 2HB HIS 13 17.069 3.346 -5.569 99 HD1 HIS 13 HD1 HIS 13 18.900 2.460 -4.078 100 HD2 HIS 13 HD2 HIS 13 15.118 1.175 -2.932 101 HE1 HIS 13 HE1 HIS 13 19.216 1.351 -1.843 102 HE2 HIS 13 HE2 HIS 13 16.900 0.656 -1.131 103 H GLU 14 H GLU 14 14.527 1.795 -7.145 104 HA GLU 14 HA GLU 14 11.952 0.827 -6.257 105 1HB GLU 14 1HB GLU 14 13.557 0.105 -8.721 106 2HB GLU 14 2HB GLU 14 11.880 -0.330 -8.423 107 1HG GLU 14 1HG GLU 14 11.750 2.351 -8.140 108 2HG GLU 14 2HG GLU 14 13.045 2.207 -9.328 109 H ASN 15 H ASN 15 13.021 -0.121 -4.326 110 HA ASN 15 HA ASN 15 12.928 -2.853 -4.302 111 1HB ASN 15 1HB ASN 15 15.475 -3.297 -3.950 112 2HB ASN 15 2HB ASN 15 14.841 -3.214 -5.591 113 1HD2 ASN 15 2HD2 ASN 15 15.565 -1.676 -6.945 114 2HD2 ASN 15 1HD2 ASN 15 16.747 -0.487 -6.529 115 H VAL 16 H VAL 16 11.845 -1.510 -2.551 116 HA VAL 16 HA VAL 16 13.664 -1.267 -0.243 117 HB VAL 16 HB VAL 16 11.773 0.296 0.630 118 1HG1 VAL 16 1HG1 VAL 16 13.958 0.882 -1.299 119 2HG1 VAL 16 2HG1 VAL 16 12.862 2.187 -0.845 120 3HG1 VAL 16 3HG1 VAL 16 13.790 1.343 0.395 121 1HG2 VAL 16 1HG2 VAL 16 10.547 -0.369 -1.679 122 2HG2 VAL 16 2HG2 VAL 16 10.249 1.133 -0.807 123 3HG2 VAL 16 3HG2 VAL 16 11.366 1.113 -2.174 124 H ASP 17 H ASP 17 13.133 -2.263 1.619 125 HA ASP 17 HA ASP 17 11.086 -4.273 1.528 126 1HB ASP 17 1HB ASP 17 13.208 -3.475 3.485 127 2HB ASP 17 2HB ASP 17 11.900 -4.529 4.014 128 H ILE 18 H ILE 18 9.097 -4.218 2.389 129 HA ILE 18 HA ILE 18 7.990 -1.771 3.277 130 HB ILE 18 HB ILE 18 6.924 -4.595 3.269 131 1HG1 ILE 18 1HG1 ILE 18 5.763 -2.381 1.673 132 2HG1 ILE 18 2HG1 ILE 18 7.354 -2.961 1.191 133 1HG2 ILE 18 1HG2 ILE 18 5.506 -2.058 4.067 134 2HG2 ILE 18 2HG2 ILE 18 4.696 -3.581 3.701 135 3HG2 ILE 18 3HG2 ILE 18 5.800 -3.477 5.072 136 1HD1 ILE 18 1HD1 ILE 18 5.649 -5.194 1.647 137 2HD1 ILE 18 2HD1 ILE 18 4.844 -4.054 0.569 138 3HD1 ILE 18 3HD1 ILE 18 6.440 -4.682 0.158 139 H ILE 19 H ILE 19 6.846 -1.512 5.376 140 HA ILE 19 HA ILE 19 8.294 -2.924 7.523 141 HB ILE 19 HB ILE 19 9.126 -1.087 8.463 142 1HG1 ILE 19 1HG1 ILE 19 6.598 0.504 7.997 143 2HG1 ILE 19 2HG1 ILE 19 6.861 -0.531 9.395 144 1HG2 ILE 19 1HG2 ILE 19 9.123 -0.567 5.844 145 2HG2 ILE 19 2HG2 ILE 19 8.216 0.832 6.415 146 3HG2 ILE 19 3HG2 ILE 19 9.830 0.510 7.042 147 1HD1 ILE 19 1HD1 ILE 19 8.848 0.844 9.955 148 2HD1 ILE 19 2HD1 ILE 19 8.394 1.939 8.648 149 3HD1 ILE 19 3HD1 ILE 19 7.314 1.712 10.024 150 H ALA 20 H ALA 20 5.275 -1.957 6.292 151 HA ALA 20 HA ALA 20 3.976 -3.130 8.623 152 1HB ALA 20 1HB ALA 20 4.119 -0.565 8.794 153 2HB ALA 20 2HB ALA 20 2.891 -0.563 7.528 154 3HB ALA 20 3HB ALA 20 2.560 -1.342 9.075 155 H VAL 21 H VAL 21 1.906 -3.975 8.211 156 HA VAL 21 HA VAL 21 0.983 -3.912 5.432 157 HB VAL 21 HB VAL 21 2.356 -5.945 5.672 158 1HG1 VAL 21 1HG1 VAL 21 1.744 -6.148 8.167 159 2HG1 VAL 21 2HG1 VAL 21 0.325 -7.025 7.591 160 3HG1 VAL 21 3HG1 VAL 21 1.943 -7.626 7.225 161 1HG2 VAL 21 1HG2 VAL 21 -0.203 -5.729 4.624 162 2HG2 VAL 21 2HG2 VAL 21 0.981 -6.983 4.260 163 3HG2 VAL 21 3HG2 VAL 21 -0.225 -7.249 5.518 164 H GLU 22 H GLU 22 -1.157 -3.652 5.273 165 HA GLU 22 HA GLU 22 -2.923 -4.622 7.366 166 1HB GLU 22 1HB GLU 22 -3.126 -1.726 6.585 167 2HB GLU 22 2HB GLU 22 -3.872 -2.547 7.948 168 1HG GLU 22 1HG GLU 22 -1.635 -2.833 8.953 169 2HG GLU 22 2HG GLU 22 -0.950 -1.909 7.616 170 H VAL 23 H VAL 23 -2.690 -5.545 4.787 171 HA VAL 23 HA VAL 23 -5.282 -4.746 3.666 172 HB VAL 23 HB VAL 23 -4.256 -5.110 1.359 173 1HG1 VAL 23 1HG1 VAL 23 -3.684 -2.752 3.117 174 2HG1 VAL 23 2HG1 VAL 23 -3.186 -2.763 1.424 175 3HG1 VAL 23 3HG1 VAL 23 -4.891 -2.925 1.843 176 1HG2 VAL 23 1HG2 VAL 23 -2.171 -6.152 2.158 177 2HG2 VAL 23 2HG2 VAL 23 -1.870 -4.748 1.135 178 3HG2 VAL 23 3HG2 VAL 23 -1.701 -4.616 2.886 179 H ASN 24 H ASN 24 -6.564 -6.445 3.398 180 HA ASN 24 HA ASN 24 -5.374 -9.058 2.783 181 1HB ASN 24 1HB ASN 24 -6.199 -8.524 5.288 182 2HB ASN 24 2HB ASN 24 -7.722 -9.064 4.588 183 1HD2 ASN 24 2HD2 ASN 24 -7.978 -11.025 5.437 184 2HD2 ASN 24 1HD2 ASN 24 -6.845 -12.322 5.303 185 H VAL 25 H VAL 25 -7.216 -6.783 1.567 186 HA VAL 25 HA VAL 25 -8.811 -6.695 -0.047 187 HB VAL 25 HB VAL 25 -8.437 -9.689 -0.101 188 1HG1 VAL 25 1HG1 VAL 25 -10.598 -8.978 -1.058 189 2HG1 VAL 25 2HG1 VAL 25 -9.733 -7.907 -2.161 190 3HG1 VAL 25 3HG1 VAL 25 -9.510 -9.653 -2.272 191 1HG2 VAL 25 1HG2 VAL 25 -6.473 -8.119 -0.626 192 2HG2 VAL 25 2HG2 VAL 25 -6.857 -9.387 -1.789 193 3HG2 VAL 25 3HG2 VAL 25 -7.364 -7.727 -2.096 194 H GLY 26 H GLY 26 -10.819 -6.147 0.466 195 1HA GLY 26 1HA GLY 26 -12.419 -8.050 2.065 196 2HA GLY 26 2HA GLY 26 -13.099 -7.052 0.789 197 H ASP 27 H ASP 27 -10.702 -5.692 2.880 198 HA ASP 27 HA ASP 27 -12.485 -4.676 4.856 199 1HB ASP 27 1HB ASP 27 -9.615 -4.355 4.181 200 2HB ASP 27 2HB ASP 27 -10.357 -3.037 5.083 201 H THR 28 H THR 28 -12.708 -2.297 5.268 202 HA THR 28 HA THR 28 -13.453 -0.971 2.761 203 HB THR 28 HB THR 28 -14.227 -0.134 5.554 204 HG1 THR 28 HG1 THR 28 -15.401 -1.859 5.587 205 1HG2 THR 28 1HG2 THR 28 -14.573 1.452 3.619 206 2HG2 THR 28 2HG2 THR 28 -15.750 0.289 3.008 207 3HG2 THR 28 3HG2 THR 28 -15.997 1.052 4.579 208 H ILE 29 H ILE 29 -11.892 0.289 1.979 209 HA ILE 29 HA ILE 29 -10.098 1.701 3.796 210 HB ILE 29 HB ILE 29 -8.817 2.282 1.786 211 1HG1 ILE 29 1HG1 ILE 29 -10.062 0.530 -0.104 212 2HG1 ILE 29 2HG1 ILE 29 -11.263 1.674 0.480 213 1HG2 ILE 29 1HG2 ILE 29 -8.628 0.049 3.035 214 2HG2 ILE 29 2HG2 ILE 29 -9.429 -0.649 1.627 215 3HG2 ILE 29 3HG2 ILE 29 -7.879 0.173 1.442 216 1HD1 ILE 29 1HD1 ILE 29 -9.649 3.504 -0.072 217 2HD1 ILE 29 2HD1 ILE 29 -8.645 2.287 -0.855 218 3HD1 ILE 29 3HD1 ILE 29 -10.271 2.607 -1.456 219 H ALA 30 H ALA 30 -10.015 3.884 4.027 220 HA ALA 30 HA ALA 30 -12.162 5.419 2.731 221 1HB ALA 30 1HB ALA 30 -12.603 6.057 4.818 222 2HB ALA 30 2HB ALA 30 -11.108 6.993 4.762 223 3HB ALA 30 3HB ALA 30 -11.102 5.357 5.422 224 H VAL 31 H VAL 31 -11.363 7.954 2.924 225 HA VAL 31 HA VAL 31 -9.145 8.066 1.043 226 HB VAL 31 HB VAL 31 -9.811 10.552 0.996 227 1HG1 VAL 31 1HG1 VAL 31 -11.480 8.289 -0.038 228 2HG1 VAL 31 2HG1 VAL 31 -11.863 9.966 -0.429 229 3HG1 VAL 31 3HG1 VAL 31 -10.305 9.286 -0.897 230 1HG2 VAL 31 1HG2 VAL 31 -11.206 10.186 3.147 231 2HG2 VAL 31 2HG2 VAL 31 -11.841 11.232 1.877 232 3HG2 VAL 31 3HG2 VAL 31 -12.438 9.581 2.039 233 H ASP 32 H ASP 32 -8.400 7.415 3.680 234 HA ASP 32 HA ASP 32 -6.200 8.959 4.141 235 1HB ASP 32 1HB ASP 32 -7.045 10.217 6.261 236 2HB ASP 32 2HB ASP 32 -7.331 10.926 4.675 237 H ASP 33 H ASP 33 -6.054 6.511 4.378 238 HA ASP 33 HA ASP 33 -5.987 5.912 7.234 239 1HB ASP 33 1HB ASP 33 -7.018 3.701 6.904 240 2HB ASP 33 2HB ASP 33 -8.133 4.999 6.485 241 H THR 34 H THR 34 -4.052 5.135 7.732 242 HA THR 34 HA THR 34 -2.085 4.578 5.813 243 HB THR 34 HB THR 34 -1.060 3.373 7.952 244 HG1 THR 34 HG1 THR 34 -1.847 4.537 9.794 245 1HG2 THR 34 1HG2 THR 34 -0.218 5.412 6.814 246 2HG2 THR 34 2HG2 THR 34 -1.311 6.357 7.828 247 3HG2 THR 34 3HG2 THR 34 -0.019 5.410 8.569 248 H LEU 35 H LEU 35 -1.943 2.944 4.514 249 HA LEU 35 HA LEU 35 -3.235 0.415 5.135 250 1HB LEU 35 1HB LEU 35 -1.887 1.525 2.679 251 2HB LEU 35 2HB LEU 35 -2.354 -0.162 2.794 252 HG LEU 35 HG LEU 35 -4.325 2.086 3.156 253 1HD1 LEU 35 1HD1 LEU 35 -3.142 2.088 0.906 254 2HD1 LEU 35 2HD1 LEU 35 -3.929 0.536 0.616 255 3HD1 LEU 35 3HD1 LEU 35 -4.902 1.982 0.883 256 1HD2 LEU 35 1HD2 LEU 35 -4.604 -0.857 2.574 257 2HD2 LEU 35 2HD2 LEU 35 -5.053 -0.021 4.060 258 3HD2 LEU 35 3HD2 LEU 35 -5.935 0.298 2.566 259 H ILE 36 H ILE 36 -0.026 1.740 4.485 260 HA ILE 36 HA ILE 36 1.167 -0.348 6.098 261 HB ILE 36 HB ILE 36 2.881 -0.940 4.373 262 1HG1 ILE 36 1HG1 ILE 36 2.475 -0.599 2.047 263 2HG1 ILE 36 2HG1 ILE 36 0.897 0.117 2.352 264 1HG2 ILE 36 1HG2 ILE 36 0.575 -2.115 4.961 265 2HG2 ILE 36 2HG2 ILE 36 0.310 -1.835 3.242 266 3HG2 ILE 36 3HG2 ILE 36 1.708 -2.767 3.780 267 1HD1 ILE 36 1HD1 ILE 36 3.511 1.356 3.182 268 2HD1 ILE 36 2HD1 ILE 36 2.662 1.726 1.681 269 3HD1 ILE 36 3HD1 ILE 36 1.910 2.096 3.233 270 H THR 37 H THR 37 3.715 -0.058 5.833 271 HA THR 37 HA THR 37 4.462 2.739 5.590 272 HB THR 37 HB THR 37 4.793 1.131 8.132 273 HG1 THR 37 HG1 THR 37 3.009 2.192 8.482 274 1HG2 THR 37 1HG2 THR 37 6.864 2.397 7.550 275 2HG2 THR 37 2HG2 THR 37 5.902 3.873 7.620 276 3HG2 THR 37 3HG2 THR 37 6.095 2.878 9.063 277 H LEU 38 H LEU 38 6.304 2.803 4.446 278 HA LEU 38 HA LEU 38 7.987 0.385 4.453 279 1HB LEU 38 1HB LEU 38 7.269 2.310 2.271 280 2HB LEU 38 2HB LEU 38 8.687 1.281 2.146 281 HG LEU 38 HG LEU 38 6.630 -0.460 2.854 282 1HD1 LEU 38 1HD1 LEU 38 5.454 1.836 1.735 283 2HD1 LEU 38 2HD1 LEU 38 5.414 0.585 0.492 284 3HD1 LEU 38 3HD1 LEU 38 4.697 0.280 2.074 285 1HD2 LEU 38 1HD2 LEU 38 7.947 0.189 0.231 286 2HD2 LEU 38 2HD2 LEU 38 8.375 -1.081 1.377 287 3HD2 LEU 38 3HD2 LEU 38 6.872 -1.188 0.463 288 H GLU 39 H GLU 39 10.257 1.037 3.383 289 HA GLU 39 HA GLU 39 11.363 3.548 4.042 290 1HB GLU 39 1HB GLU 39 10.985 2.841 6.339 291 2HB GLU 39 2HB GLU 39 11.841 1.335 6.043 292 1HG GLU 39 1HG GLU 39 13.236 3.938 5.621 293 2HG GLU 39 2HG GLU 39 13.028 3.302 7.251 294 H THR 40 H THR 40 13.714 3.598 3.780 295 HA THR 40 HA THR 40 14.681 1.322 2.180 296 HB THR 40 HB THR 40 15.805 2.794 0.735 297 HG1 THR 40 HG1 THR 40 15.232 5.001 2.397 298 1HG2 THR 40 1HG2 THR 40 13.082 3.162 1.098 299 2HG2 THR 40 2HG2 THR 40 13.751 4.792 1.000 300 3HG2 THR 40 3HG2 THR 40 14.045 3.637 -0.301 301 H ASP 41 H ASP 41 15.989 4.117 3.956 302 HA ASP 41 HA ASP 41 17.707 2.363 5.501 303 1HB ASP 41 1HB ASP 41 18.841 4.501 3.684 304 2HB ASP 41 2HB ASP 41 19.760 3.624 4.904 305 H LYS 42 H LYS 42 16.798 5.697 4.709 306 HA LYS 42 HA LYS 42 16.703 6.282 7.573 307 1HB LYS 42 1HB LYS 42 17.819 8.466 7.204 308 2HB LYS 42 2HB LYS 42 18.879 7.094 6.913 309 1HG LYS 42 1HG LYS 42 17.419 8.511 4.703 310 2HG LYS 42 2HG LYS 42 19.021 8.996 5.262 311 1HD LYS 42 1HD LYS 42 19.285 6.281 4.902 312 2HD LYS 42 2HD LYS 42 18.224 6.755 3.575 313 1HE LYS 42 1HE LYS 42 20.602 8.447 4.096 314 2HE LYS 42 2HE LYS 42 20.883 6.852 3.399 315 1HZ LYS 42 1HZ LYS 42 18.979 8.827 2.268 316 2HZ LYS 42 2HZ LYS 42 20.582 8.669 1.749 317 3HZ LYS 42 3HZ LYS 42 19.500 7.382 1.558 318 H ALA 43 H ALA 43 14.747 5.846 5.363 319 HA ALA 43 HA ALA 43 13.122 8.199 5.911 320 1HB ALA 43 1HB ALA 43 14.063 7.418 3.187 321 2HB ALA 43 2HB ALA 43 13.918 9.020 3.911 322 3HB ALA 43 3HB ALA 43 12.473 8.155 3.387 323 H THR 44 H THR 44 11.613 7.046 7.022 324 HA THR 44 HA THR 44 10.488 4.640 5.814 325 HB THR 44 HB THR 44 9.450 4.212 7.912 326 HG1 THR 44 HG1 THR 44 10.145 6.870 8.610 327 1HG2 THR 44 1HG2 THR 44 12.259 4.993 7.941 328 2HG2 THR 44 2HG2 THR 44 11.486 5.019 9.525 329 3HG2 THR 44 3HG2 THR 44 11.471 3.542 8.562 330 H MET 45 H MET 45 8.833 4.826 4.477 331 HA MET 45 HA MET 45 7.042 7.138 4.758 332 1HB MET 45 1HB MET 45 8.327 6.030 2.523 333 2HB MET 45 2HB MET 45 6.626 5.620 2.340 334 1HG MET 45 1HG MET 45 7.078 7.700 1.233 335 2HG MET 45 2HG MET 45 6.049 7.994 2.633 336 1HE MET 45 1HE MET 45 6.680 10.494 2.041 337 2HE MET 45 2HE MET 45 6.494 10.306 3.784 338 3HE MET 45 3HE MET 45 7.834 11.253 3.138 339 H ASP 46 H ASP 46 4.816 6.463 3.563 340 HA ASP 46 HA ASP 46 3.789 3.886 4.172 341 1HB ASP 46 1HB ASP 46 2.157 4.666 5.923 342 2HB ASP 46 2HB ASP 46 3.832 4.603 6.465 343 H VAL 47 H VAL 47 1.351 3.847 3.860 344 HA VAL 47 HA VAL 47 0.560 5.980 1.986 345 HB VAL 47 HB VAL 47 -0.063 3.033 1.765 346 1HG1 VAL 47 1HG1 VAL 47 -1.599 5.205 0.877 347 2HG1 VAL 47 2HG1 VAL 47 -0.755 4.599 -0.549 348 3HG1 VAL 47 3HG1 VAL 47 -1.761 3.513 0.409 349 1HG2 VAL 47 1HG2 VAL 47 2.245 4.092 1.080 350 2HG2 VAL 47 2HG2 VAL 47 1.453 2.897 0.053 351 3HG2 VAL 47 3HG2 VAL 47 1.333 4.613 -0.338 352 HA PRO 48 HA PRO 48 -2.919 6.018 4.852 353 1HB PRO 48 1HB PRO 48 -3.606 8.562 4.507 354 2HB PRO 48 2HB PRO 48 -2.110 8.141 5.349 355 1HG PRO 48 1HG PRO 48 -2.501 9.162 2.580 356 2HG PRO 48 2HG PRO 48 -1.180 9.473 3.718 357 1HD PRO 48 1HD PRO 48 -1.180 7.606 1.599 358 2HD PRO 48 2HD PRO 48 0.022 7.736 2.897 359 H ALA 49 H ALA 49 -3.146 4.976 2.100 360 HA ALA 49 HA ALA 49 -4.753 4.479 0.564 361 1HB ALA 49 1HB ALA 49 -7.124 4.780 1.278 362 2HB ALA 49 2HB ALA 49 -6.127 3.906 2.441 363 3HB ALA 49 3HB ALA 49 -6.533 5.600 2.724 364 H GLU 50 H GLU 50 -6.694 5.544 -0.704 365 HA GLU 50 HA GLU 50 -6.692 8.399 -0.829 366 1HB GLU 50 1HB GLU 50 -4.535 7.510 -2.030 367 2HB GLU 50 2HB GLU 50 -5.658 7.135 -3.330 368 1HG GLU 50 1HG GLU 50 -6.318 9.445 -3.488 369 2HG GLU 50 2HG GLU 50 -5.317 9.858 -2.097 370 H VAL 51 H VAL 51 -8.735 6.594 -0.471 371 HA VAL 51 HA VAL 51 -10.651 7.466 -2.268 372 HB VAL 51 HB VAL 51 -11.006 4.979 -3.250 373 1HG1 VAL 51 1HG1 VAL 51 -10.169 7.529 -4.213 374 2HG1 VAL 51 2HG1 VAL 51 -9.312 6.271 -5.102 375 3HG1 VAL 51 3HG1 VAL 51 -11.075 6.272 -5.053 376 1HG2 VAL 51 1HG2 VAL 51 -8.702 4.421 -2.210 377 2HG2 VAL 51 2HG2 VAL 51 -9.038 3.900 -3.862 378 3HG2 VAL 51 3HG2 VAL 51 -8.046 5.330 -3.571 379 H ALA 52 H ALA 52 -12.730 6.184 -2.111 380 HA ALA 52 HA ALA 52 -12.890 4.929 0.555 381 1HB ALA 52 1HB ALA 52 -14.914 6.613 -0.894 382 2HB ALA 52 2HB ALA 52 -15.196 5.791 0.642 383 3HB ALA 52 3HB ALA 52 -13.983 7.069 0.535 384 H GLY 53 H GLY 53 -12.674 2.793 -0.215 385 1HA GLY 53 1HA GLY 53 -13.898 1.573 -2.325 386 2HA GLY 53 2HA GLY 53 -15.156 1.656 -1.109 387 H VAL 54 H VAL 54 -14.064 -0.720 -2.209 388 HA VAL 54 HA VAL 54 -12.871 -1.909 0.212 389 HB VAL 54 HB VAL 54 -14.631 -3.204 -1.876 390 1HG1 VAL 54 1HG1 VAL 54 -13.207 -4.286 0.535 391 2HG1 VAL 54 2HG1 VAL 54 -14.670 -5.053 -0.084 392 3HG1 VAL 54 3HG1 VAL 54 -13.242 -4.919 -1.111 393 1HG2 VAL 54 1HG2 VAL 54 -15.654 -1.549 -0.201 394 2HG2 VAL 54 2HG2 VAL 54 -16.391 -3.146 -0.340 395 3HG2 VAL 54 3HG2 VAL 54 -15.322 -2.783 1.015 396 H VAL 55 H VAL 55 -11.185 -3.408 -0.011 397 HA VAL 55 HA VAL 55 -9.603 -3.096 -2.401 398 HB VAL 55 HB VAL 55 -9.043 -4.772 0.045 399 1HG1 VAL 55 1HG1 VAL 55 -7.868 -5.489 -2.057 400 2HG1 VAL 55 2HG1 VAL 55 -7.125 -3.888 -2.112 401 3HG1 VAL 55 3HG1 VAL 55 -6.792 -4.966 -0.757 402 1HG2 VAL 55 1HG2 VAL 55 -9.231 -2.205 0.243 403 2HG2 VAL 55 2HG2 VAL 55 -7.805 -3.001 0.908 404 3HG2 VAL 55 3HG2 VAL 55 -7.710 -2.180 -0.650 405 H LYS 56 H LYS 56 -9.000 -4.647 -3.835 406 HA LYS 56 HA LYS 56 -10.613 -7.113 -3.837 407 1HB LYS 56 1HB LYS 56 -9.327 -6.416 -6.367 408 2HB LYS 56 2HB LYS 56 -10.989 -6.888 -6.049 409 1HG LYS 56 1HG LYS 56 -10.126 -4.136 -5.318 410 2HG LYS 56 2HG LYS 56 -10.398 -4.529 -7.014 411 1HD LYS 56 1HD LYS 56 -12.419 -3.617 -5.971 412 2HD LYS 56 2HD LYS 56 -12.655 -5.283 -6.501 413 1HE LYS 56 1HE LYS 56 -12.200 -6.030 -4.178 414 2HE LYS 56 2HE LYS 56 -12.124 -4.338 -3.689 415 1HZ LYS 56 1HZ LYS 56 -14.499 -5.479 -5.033 416 2HZ LYS 56 2HZ LYS 56 -14.311 -5.521 -3.353 417 3HZ LYS 56 3HZ LYS 56 -14.384 -4.036 -4.159 418 H GLU 57 H GLU 57 -7.530 -5.716 -4.858 419 HA GLU 57 HA GLU 57 -6.351 -8.361 -4.638 420 1HB GLU 57 1HB GLU 57 -5.745 -5.994 -6.322 421 2HB GLU 57 2HB GLU 57 -4.399 -7.025 -5.856 422 1HG GLU 57 1HG GLU 57 -6.165 -8.879 -6.697 423 2HG GLU 57 2HG GLU 57 -6.606 -7.520 -7.729 424 H VAL 58 H VAL 58 -3.917 -8.250 -4.066 425 HA VAL 58 HA VAL 58 -3.064 -6.212 -2.252 426 HB VAL 58 HB VAL 58 -4.629 -7.329 -0.753 427 1HG1 VAL 58 1HG1 VAL 58 -3.674 -9.671 -2.061 428 2HG1 VAL 58 2HG1 VAL 58 -3.386 -9.833 -0.328 429 3HG1 VAL 58 3HG1 VAL 58 -5.014 -9.507 -0.924 430 1HG2 VAL 58 1HG2 VAL 58 -2.171 -6.608 -0.109 431 2HG2 VAL 58 2HG2 VAL 58 -3.229 -7.401 1.058 432 3HG2 VAL 58 3HG2 VAL 58 -1.999 -8.335 0.206 433 H LYS 59 H LYS 59 -0.926 -6.161 -2.362 434 HA LYS 59 HA LYS 59 0.599 -8.628 -2.585 435 1HB LYS 59 1HB LYS 59 0.783 -6.398 -4.614 436 2HB LYS 59 2HB LYS 59 1.891 -7.761 -4.512 437 1HG LYS 59 1HG LYS 59 0.520 -8.630 -6.070 438 2HG LYS 59 2HG LYS 59 -0.442 -9.083 -4.661 439 1HD LYS 59 1HD LYS 59 -1.984 -8.079 -6.100 440 2HD LYS 59 2HD LYS 59 -1.582 -6.805 -4.948 441 1HE LYS 59 1HE LYS 59 -1.497 -5.726 -7.009 442 2HE LYS 59 2HE LYS 59 0.192 -6.098 -6.668 443 1HZ LYS 59 1HZ LYS 59 -0.372 -8.244 -8.008 444 2HZ LYS 59 2HZ LYS 59 -1.610 -7.290 -8.654 445 3HZ LYS 59 3HZ LYS 59 0.004 -6.808 -8.817 446 H VAL 60 H VAL 60 0.999 -7.814 -0.388 447 HA VAL 60 HA VAL 60 3.517 -6.542 -0.228 448 HB VAL 60 HB VAL 60 2.652 -4.429 -0.479 449 1HG1 VAL 60 1HG1 VAL 60 0.144 -5.383 0.884 450 2HG1 VAL 60 2HG1 VAL 60 0.430 -3.708 0.410 451 3HG1 VAL 60 3HG1 VAL 60 0.360 -4.974 -0.819 452 1HG2 VAL 60 1HG2 VAL 60 3.610 -4.838 1.916 453 2HG2 VAL 60 2HG2 VAL 60 2.837 -3.302 1.522 454 3HG2 VAL 60 3HG2 VAL 60 1.949 -4.531 2.422 455 H LYS 61 H LYS 61 4.400 -6.629 1.850 456 HA LYS 61 HA LYS 61 2.862 -7.536 4.100 457 1HB LYS 61 1HB LYS 61 3.561 -9.539 2.439 458 2HB LYS 61 2HB LYS 61 5.015 -9.457 3.425 459 1HG LYS 61 1HG LYS 61 3.897 -10.881 4.742 460 2HG LYS 61 2HG LYS 61 3.121 -9.415 5.345 461 1HD LYS 61 1HD LYS 61 1.813 -10.360 2.955 462 2HD LYS 61 2HD LYS 61 1.882 -11.632 4.177 463 1HE LYS 61 1HE LYS 61 1.172 -9.415 5.637 464 2HE LYS 61 2HE LYS 61 0.316 -9.170 4.115 465 1HZ LYS 61 1HZ LYS 61 -0.610 -11.416 4.356 466 2HZ LYS 61 2HZ LYS 61 0.154 -11.570 5.857 467 3HZ LYS 61 3HZ LYS 61 -1.053 -10.404 5.637 468 H VAL 62 H VAL 62 4.949 -8.672 5.576 469 HA VAL 62 HA VAL 62 6.670 -6.320 5.941 470 HB VAL 62 HB VAL 62 5.995 -8.526 7.892 471 1HG1 VAL 62 1HG1 VAL 62 8.076 -6.520 7.881 472 2HG1 VAL 62 2HG1 VAL 62 7.006 -6.333 9.270 473 3HG1 VAL 62 3HG1 VAL 62 7.821 -7.871 8.985 474 1HG2 VAL 62 1HG2 VAL 62 4.148 -6.929 7.295 475 2HG2 VAL 62 2HG2 VAL 62 4.590 -6.962 9.002 476 3HG2 VAL 62 3HG2 VAL 62 5.142 -5.639 7.974 477 H GLY 63 H GLY 63 8.332 -6.775 4.521 478 1HA GLY 63 1HA GLY 63 9.880 -9.222 5.114 479 2HA GLY 63 2HA GLY 63 10.645 -7.660 4.858 480 H ASP 64 H ASP 64 8.890 -6.897 2.667 481 HA ASP 64 HA ASP 64 10.023 -8.656 0.600 482 1HB ASP 64 1HB ASP 64 7.944 -8.170 -0.755 483 2HB ASP 64 2HB ASP 64 7.707 -9.214 0.643 484 H LYS 65 H LYS 65 10.855 -7.674 -1.190 485 HA LYS 65 HA LYS 65 11.555 -4.915 -0.968 486 1HB LYS 65 1HB LYS 65 12.126 -7.126 -2.882 487 2HB LYS 65 2HB LYS 65 12.366 -5.477 -3.443 488 1HG LYS 65 1HG LYS 65 13.569 -5.665 -0.899 489 2HG LYS 65 2HG LYS 65 14.064 -7.085 -1.821 490 1HD LYS 65 1HD LYS 65 14.410 -5.252 -3.715 491 2HD LYS 65 2HD LYS 65 14.619 -4.209 -2.307 492 1HE LYS 65 1HE LYS 65 16.538 -5.260 -1.642 493 2HE LYS 65 2HE LYS 65 16.067 -6.803 -2.354 494 1HZ LYS 65 1HZ LYS 65 16.364 -5.527 -4.567 495 2HZ LYS 65 2HZ LYS 65 17.306 -4.468 -3.644 496 3HZ LYS 65 3HZ LYS 65 17.731 -6.102 -3.753 497 H ILE 66 H ILE 66 10.600 -3.176 -1.836 498 HA ILE 66 HA ILE 66 8.573 -3.593 -3.912 499 HB ILE 66 HB ILE 66 7.948 -3.000 -1.298 500 1HG1 ILE 66 1HG1 ILE 66 5.692 -2.629 -2.155 501 2HG1 ILE 66 2HG1 ILE 66 6.342 -2.366 -3.772 502 1HG2 ILE 66 1HG2 ILE 66 7.899 -0.411 -2.829 503 2HG2 ILE 66 2HG2 ILE 66 6.930 -0.715 -1.395 504 3HG2 ILE 66 3HG2 ILE 66 8.688 -0.749 -1.292 505 1HD1 ILE 66 1HD1 ILE 66 7.373 -4.817 -2.922 506 2HD1 ILE 66 2HD1 ILE 66 5.669 -4.816 -2.464 507 3HD1 ILE 66 3HD1 ILE 66 6.130 -4.530 -4.143 508 H SER 67 H SER 67 7.894 -1.418 -4.898 509 HA SER 67 HA SER 67 10.035 0.553 -4.964 510 1HB SER 67 1HB SER 67 9.078 -0.737 -7.524 511 2HB SER 67 2HB SER 67 10.388 0.426 -7.333 512 HG SER 67 HG SER 67 10.315 -2.303 -6.717 513 H GLU 68 H GLU 68 9.302 2.581 -5.335 514 HA GLU 68 HA GLU 68 6.746 3.389 -4.980 515 1HB GLU 68 1HB GLU 68 8.570 4.786 -6.931 516 2HB GLU 68 2HB GLU 68 7.334 5.506 -5.910 517 1HG GLU 68 1HG GLU 68 9.020 6.015 -4.550 518 2HG GLU 68 2HG GLU 68 8.954 4.320 -4.069 519 H GLY 69 H GLY 69 5.181 2.150 -5.992 520 1HA GLY 69 1HA GLY 69 4.890 2.662 -8.880 521 2HA GLY 69 2HA GLY 69 3.560 2.374 -7.772 522 H GLY 70 H GLY 70 3.868 0.138 -6.557 523 1HA GLY 70 1HA GLY 70 4.809 -2.126 -6.918 524 2HA GLY 70 2HA GLY 70 4.583 -1.842 -8.636 525 H LEU 71 H LEU 71 1.962 -0.474 -7.969 526 HA LEU 71 HA LEU 71 -0.239 -0.990 -7.642 527 1HB LEU 71 1HB LEU 71 0.093 -1.942 -9.832 528 2HB LEU 71 2HB LEU 71 0.737 -3.418 -9.141 529 HG LEU 71 HG LEU 71 -1.363 -4.187 -8.484 530 1HD1 LEU 71 1HD1 LEU 71 -2.029 -1.325 -8.324 531 2HD1 LEU 71 2HD1 LEU 71 -3.339 -2.383 -8.848 532 3HD1 LEU 71 3HD1 LEU 71 -2.536 -2.672 -7.304 533 1HD2 LEU 71 1HD2 LEU 71 -1.043 -4.077 -10.958 534 2HD2 LEU 71 2HD2 LEU 71 -2.728 -4.118 -10.437 535 3HD2 LEU 71 3HD2 LEU 71 -2.003 -2.598 -10.959 536 H ILE 72 H ILE 72 0.771 -1.282 -5.297 537 HA ILE 72 HA ILE 72 0.989 -3.708 -4.045 538 HB ILE 72 HB ILE 72 0.188 -0.986 -3.149 539 1HG1 ILE 72 1HG1 ILE 72 2.190 -2.664 -1.751 540 2HG1 ILE 72 2HG1 ILE 72 2.545 -2.239 -3.423 541 1HG2 ILE 72 1HG2 ILE 72 -0.501 -3.457 -1.665 542 2HG2 ILE 72 2HG2 ILE 72 0.259 -2.160 -0.740 543 3HG2 ILE 72 3HG2 ILE 72 -1.243 -1.858 -1.614 544 1HD1 ILE 72 1HD1 ILE 72 1.641 0.047 -1.916 545 2HD1 ILE 72 2HD1 ILE 72 3.049 -0.716 -1.177 546 3HD1 ILE 72 3HD1 ILE 72 3.115 -0.179 -2.855 547 H VAL 73 H VAL 73 -1.964 -1.818 -3.472 548 HA VAL 73 HA VAL 73 -3.528 -4.279 -3.901 549 HB VAL 73 HB VAL 73 -4.997 -3.671 -2.069 550 1HG1 VAL 73 1HG1 VAL 73 -2.231 -4.348 -1.767 551 2HG1 VAL 73 2HG1 VAL 73 -2.766 -3.403 -0.377 552 3HG1 VAL 73 3HG1 VAL 73 -3.619 -4.882 -0.820 553 1HG2 VAL 73 1HG2 VAL 73 -3.206 -1.262 -1.794 554 2HG2 VAL 73 2HG2 VAL 73 -4.936 -1.287 -2.137 555 3HG2 VAL 73 3HG2 VAL 73 -4.345 -1.783 -0.552 556 H VAL 74 H VAL 74 -5.759 -3.962 -4.493 557 HA VAL 74 HA VAL 74 -6.244 -1.384 -5.854 558 HB VAL 74 HB VAL 74 -7.194 -4.135 -6.691 559 1HG1 VAL 74 1HG1 VAL 74 -8.423 -1.725 -7.173 560 2HG1 VAL 74 2HG1 VAL 74 -7.435 -1.961 -8.614 561 3HG1 VAL 74 3HG1 VAL 74 -8.608 -3.189 -8.138 562 1HG2 VAL 74 1HG2 VAL 74 -4.807 -3.792 -7.103 563 2HG2 VAL 74 2HG2 VAL 74 -5.718 -3.851 -8.613 564 3HG2 VAL 74 3HG2 VAL 74 -5.170 -2.302 -7.975 565 H VAL 75 H VAL 75 -8.084 -0.326 -5.313 566 HA VAL 75 HA VAL 75 -10.025 -1.782 -3.664 567 HB VAL 75 HB VAL 75 -10.547 0.422 -2.624 568 1HG1 VAL 75 1HG1 VAL 75 -7.953 -0.999 -2.332 569 2HG1 VAL 75 2HG1 VAL 75 -8.209 0.483 -1.414 570 3HG1 VAL 75 3HG1 VAL 75 -9.306 -0.881 -1.209 571 1HG2 VAL 75 1HG2 VAL 75 -8.121 1.255 -4.192 572 2HG2 VAL 75 2HG2 VAL 75 -9.737 1.959 -4.238 573 3HG2 VAL 75 3HG2 VAL 75 -8.732 2.151 -2.802 574 H GLU 76 H GLU 76 -12.211 -0.813 -3.620 575 HA GLU 76 HA GLU 76 -13.221 -0.605 -6.274 576 1HB GLU 76 1HB GLU 76 -14.293 -1.532 -4.014 577 2HB GLU 76 2HB GLU 76 -14.908 0.115 -3.925 578 1HG GLU 76 1HG GLU 76 -16.614 -0.966 -5.010 579 2HG GLU 76 2HG GLU 76 -15.689 -0.314 -6.361 580 H ALA 77 H ALA 77 -12.703 1.675 -3.636 581 HA ALA 77 HA ALA 77 -12.750 3.930 -3.513 582 1HB ALA 77 1HB ALA 77 -11.066 4.159 -5.009 583 2HB ALA 77 2HB ALA 77 -11.959 3.376 -6.310 584 3HB ALA 77 3HB ALA 77 -12.336 5.039 -5.861 585 H GLU 78 H GLU 78 -14.442 5.159 -3.116 586 HA GLU 78 HA GLU 78 -16.606 5.898 -3.132 587 1HB GLU 78 1HB GLU 78 -17.213 7.064 -5.253 588 2HB GLU 78 2HB GLU 78 -15.624 7.486 -4.629 589 1HG GLU 78 1HG GLU 78 -14.542 6.119 -6.261 590 2HG GLU 78 2HG GLU 78 -16.085 5.453 -6.797 591 H GLY 79 H GLY 79 -16.867 3.306 -3.023 592 1HA GLY 79 1HA GLY 79 -18.296 1.565 -3.452 593 2HA GLY 79 2HA GLY 79 -18.044 1.933 -5.152 594 H THR 80 H THR 80 -19.634 3.721 -2.513 595 HA THR 80 HA THR 80 -21.948 4.096 -4.273 596 HB THR 80 HB THR 80 -22.509 2.197 -2.848 597 HG1 THR 80 HG1 THR 80 -24.426 2.981 -2.173 598 1HG2 THR 80 1HG2 THR 80 -21.821 4.035 -0.577 599 2HG2 THR 80 2HG2 THR 80 -22.822 2.594 -0.393 600 3HG2 THR 80 3HG2 THR 80 -21.150 2.443 -0.934 601 H ALA 81 H ALA 81 -23.500 5.735 -3.295 602 HA ALA 81 HA ALA 81 -21.934 7.873 -2.005 603 1HB ALA 81 1HB ALA 81 -24.376 8.604 -3.492 604 2HB ALA 81 2HB ALA 81 -22.811 9.413 -3.405 605 3HB ALA 81 3HB ALA 81 -23.023 8.013 -4.457 No H/Q in entry = 605 Start of MODEL 5 1 H1 ALA 1 H1 ALA 1 -13.753 4.349 -9.816 2 H2 ALA 1 H2 ALA 1 -14.301 3.700 -11.304 3 H3 ALA 1 H3 ALA 1 -15.254 4.861 -10.473 4 HA ALA 1 HA ALA 1 -15.957 3.424 -8.933 5 1HB ALA 1 1HB ALA 1 -16.343 2.723 -11.481 6 2HB ALA 1 2HB ALA 1 -17.000 1.806 -10.125 7 3HB ALA 1 3HB ALA 1 -15.515 1.272 -10.913 8 H LEU 2 H LEU 2 -12.839 2.566 -10.201 9 HA LEU 2 HA LEU 2 -12.305 1.053 -7.748 10 1HB LEU 2 1HB LEU 2 -11.654 0.142 -10.549 11 2HB LEU 2 2HB LEU 2 -10.958 -0.573 -9.107 12 HG LEU 2 HG LEU 2 -13.860 -0.504 -8.981 13 1HD1 LEU 2 1HD1 LEU 2 -12.635 -1.308 -11.489 14 2HD1 LEU 2 2HD1 LEU 2 -13.576 -2.600 -10.744 15 3HD1 LEU 2 3HD1 LEU 2 -14.333 -1.045 -11.089 16 1HD2 LEU 2 1HD2 LEU 2 -11.817 -2.720 -8.869 17 2HD2 LEU 2 2HD2 LEU 2 -12.468 -1.827 -7.494 18 3HD2 LEU 2 3HD2 LEU 2 -13.522 -2.875 -8.444 19 H VAL 3 H VAL 3 -9.814 0.508 -7.746 20 HA VAL 3 HA VAL 3 -8.125 2.476 -8.979 21 HB VAL 3 HB VAL 3 -8.916 2.748 -6.096 22 1HG1 VAL 3 1HG1 VAL 3 -6.333 3.764 -7.285 23 2HG1 VAL 3 2HG1 VAL 3 -6.972 4.205 -5.703 24 3HG1 VAL 3 3HG1 VAL 3 -6.493 2.536 -6.026 25 1HG2 VAL 3 1HG2 VAL 3 -8.948 4.407 -8.530 26 2HG2 VAL 3 2HG2 VAL 3 -10.071 4.356 -7.172 27 3HG2 VAL 3 3HG2 VAL 3 -8.552 5.240 -7.026 28 H GLU 4 H GLU 4 -5.869 2.204 -8.402 29 HA GLU 4 HA GLU 4 -5.252 -0.393 -7.165 30 1HB GLU 4 1HB GLU 4 -3.632 0.622 -9.470 31 2HB GLU 4 2HB GLU 4 -3.832 -1.025 -8.893 32 1HG GLU 4 1HG GLU 4 -5.181 -1.266 -10.648 33 2HG GLU 4 2HG GLU 4 -6.366 -0.411 -9.661 34 H LEU 5 H LEU 5 -4.461 0.426 -5.249 35 HA LEU 5 HA LEU 5 -2.908 2.737 -4.985 36 1HB LEU 5 1HB LEU 5 -3.817 0.625 -3.287 37 2HB LEU 5 2HB LEU 5 -2.113 0.908 -2.968 38 HG LEU 5 HG LEU 5 -4.264 3.028 -2.894 39 1HD1 LEU 5 1HD1 LEU 5 -3.172 1.196 -0.858 40 2HD1 LEU 5 2HD1 LEU 5 -3.343 2.886 -0.382 41 3HD1 LEU 5 3HD1 LEU 5 -4.746 1.984 -0.955 42 1HD2 LEU 5 1HD2 LEU 5 -1.309 3.076 -2.350 43 2HD2 LEU 5 2HD2 LEU 5 -2.233 4.073 -3.474 44 3HD2 LEU 5 3HD2 LEU 5 -2.414 4.307 -1.734 45 H LYS 6 H LYS 6 -0.609 2.795 -4.231 46 HA LYS 6 HA LYS 6 1.055 0.699 -5.393 47 1HB LYS 6 1HB LYS 6 1.384 3.614 -6.110 48 2HB LYS 6 2HB LYS 6 2.393 2.285 -6.662 49 1HG LYS 6 1HG LYS 6 -0.045 1.427 -7.459 50 2HG LYS 6 2HG LYS 6 -0.241 3.175 -7.602 51 1HD LYS 6 1HD LYS 6 1.668 3.327 -9.052 52 2HD LYS 6 2HD LYS 6 2.057 1.627 -8.789 53 1HE LYS 6 1HE LYS 6 -0.473 1.397 -9.676 54 2HE LYS 6 2HE LYS 6 0.018 2.861 -10.526 55 1HZ LYS 6 1HZ LYS 6 1.954 1.634 -11.369 56 2HZ LYS 6 2HZ LYS 6 1.389 0.228 -10.619 57 3HZ LYS 6 3HZ LYS 6 0.493 0.939 -11.865 58 H VAL 7 H VAL 7 3.433 1.236 -4.999 59 HA VAL 7 HA VAL 7 3.815 1.549 -2.191 60 HB VAL 7 HB VAL 7 5.918 1.433 -4.354 61 1HG1 VAL 7 1HG1 VAL 7 6.729 2.117 -2.139 62 2HG1 VAL 7 2HG1 VAL 7 6.048 0.642 -1.453 63 3HG1 VAL 7 3HG1 VAL 7 7.361 0.543 -2.626 64 1HG2 VAL 7 1HG2 VAL 7 4.074 -0.427 -4.209 65 2HG2 VAL 7 2HG2 VAL 7 5.769 -0.849 -4.445 66 3HG2 VAL 7 3HG2 VAL 7 5.046 -0.976 -2.843 67 HA PRO 8 HA PRO 8 4.419 5.929 -1.998 68 1HB PRO 8 1HB PRO 8 6.112 6.027 0.165 69 2HB PRO 8 2HB PRO 8 4.354 5.886 0.273 70 1HG PRO 8 1HG PRO 8 6.445 3.770 0.522 71 2HG PRO 8 2HG PRO 8 4.921 3.955 1.409 72 1HD PRO 8 1HD PRO 8 5.227 2.181 -0.605 73 2HD PRO 8 2HD PRO 8 3.680 2.978 -0.270 74 H ASP 9 H ASP 9 6.535 7.342 -1.212 75 HA ASP 9 HA ASP 9 8.465 6.848 -3.338 76 1HB ASP 9 1HB ASP 9 7.507 9.063 -3.245 77 2HB ASP 9 2HB ASP 9 7.960 9.231 -1.552 78 H ILE 10 H ILE 10 8.188 6.373 0.005 79 HA ILE 10 HA ILE 10 9.695 6.173 1.736 80 HB ILE 10 HB ILE 10 11.475 4.363 0.990 81 1HG1 ILE 10 1HG1 ILE 10 10.363 2.974 -0.851 82 2HG1 ILE 10 2HG1 ILE 10 9.461 4.430 -1.257 83 1HG2 ILE 10 1HG2 ILE 10 9.261 4.258 2.385 84 2HG2 ILE 10 2HG2 ILE 10 8.641 3.435 0.951 85 3HG2 ILE 10 3HG2 ILE 10 10.035 2.781 1.815 86 1HD1 ILE 10 1HD1 ILE 10 11.969 5.399 -1.218 87 2HD1 ILE 10 2HD1 ILE 10 12.267 3.743 -1.747 88 3HD1 ILE 10 3HD1 ILE 10 11.165 4.777 -2.658 89 H GLY 11 H GLY 11 10.382 8.469 0.157 90 1HA GLY 11 1HA GLY 11 12.697 9.343 1.225 91 2HA GLY 11 2HA GLY 11 12.161 9.857 -0.366 92 H GLY 12 H GLY 12 12.476 7.240 -1.591 93 1HA GLY 12 1HA GLY 12 14.539 5.729 -1.615 94 2HA GLY 12 2HA GLY 12 15.419 7.244 -1.761 95 H HIS 13 H HIS 13 14.167 4.697 -3.449 96 HA HIS 13 HA HIS 13 13.392 6.107 -5.836 97 1HB HIS 13 1HB HIS 13 15.340 4.707 -7.046 98 2HB HIS 13 2HB HIS 13 15.546 6.371 -6.516 99 HD1 HIS 13 HD1 HIS 13 18.109 5.956 -6.284 100 HD2 HIS 13 HD2 HIS 13 15.754 3.625 -3.777 101 HE1 HIS 13 HE1 HIS 13 19.689 4.991 -4.582 102 HE2 HIS 13 HE2 HIS 13 18.232 3.633 -3.038 103 H GLU 14 H GLU 14 15.050 3.001 -5.733 104 HA GLU 14 HA GLU 14 12.467 1.638 -6.024 105 1HB GLU 14 1HB GLU 14 14.877 0.909 -7.677 106 2HB GLU 14 2HB GLU 14 13.222 0.348 -7.871 107 1HG GLU 14 1HG GLU 14 12.517 2.357 -8.801 108 2HG GLU 14 2HG GLU 14 13.908 3.243 -8.177 109 H ASN 15 H ASN 15 12.945 -0.861 -6.041 110 HA ASN 15 HA ASN 15 13.342 -2.601 -4.613 111 1HB ASN 15 1HB ASN 15 15.714 -3.169 -4.392 112 2HB ASN 15 2HB ASN 15 15.347 -2.620 -6.024 113 1HD2 ASN 15 2HD2 ASN 15 17.214 -2.128 -3.229 114 2HD2 ASN 15 1HD2 ASN 15 18.058 -0.714 -3.754 115 H VAL 16 H VAL 16 12.305 -2.124 -2.717 116 HA VAL 16 HA VAL 16 14.026 -1.473 -0.477 117 HB VAL 16 HB VAL 16 12.615 0.282 0.435 118 1HG1 VAL 16 1HG1 VAL 16 13.537 0.851 -2.378 119 2HG1 VAL 16 2HG1 VAL 16 13.128 2.080 -1.184 120 3HG1 VAL 16 3HG1 VAL 16 14.489 0.996 -0.900 121 1HG2 VAL 16 1HG2 VAL 16 10.564 -0.604 -0.910 122 2HG2 VAL 16 2HG2 VAL 16 10.690 1.109 -0.527 123 3HG2 VAL 16 3HG2 VAL 16 11.116 0.535 -2.137 124 H ASP 17 H ASP 17 13.339 -2.383 1.422 125 HA ASP 17 HA ASP 17 11.252 -4.358 1.185 126 1HB ASP 17 1HB ASP 17 13.149 -3.651 3.426 127 2HB ASP 17 2HB ASP 17 11.954 -4.941 3.536 128 H ILE 18 H ILE 18 9.229 -4.245 1.935 129 HA ILE 18 HA ILE 18 8.123 -1.825 2.846 130 HB ILE 18 HB ILE 18 7.070 -4.655 2.856 131 1HG1 ILE 18 1HG1 ILE 18 5.972 -2.400 1.244 132 2HG1 ILE 18 2HG1 ILE 18 7.496 -3.128 0.746 133 1HG2 ILE 18 1HG2 ILE 18 5.625 -2.128 3.634 134 2HG2 ILE 18 2HG2 ILE 18 4.835 -3.664 3.280 135 3HG2 ILE 18 3HG2 ILE 18 5.935 -3.534 4.651 136 1HD1 ILE 18 1HD1 ILE 18 5.473 -5.112 1.330 137 2HD1 ILE 18 2HD1 ILE 18 4.976 -3.989 0.065 138 3HD1 ILE 18 3HD1 ILE 18 6.475 -4.903 -0.103 139 H ILE 19 H ILE 19 6.930 -1.599 4.979 140 HA ILE 19 HA ILE 19 8.434 -2.997 7.096 141 HB ILE 19 HB ILE 19 9.290 -1.169 8.021 142 1HG1 ILE 19 1HG1 ILE 19 6.753 0.424 7.624 143 2HG1 ILE 19 2HG1 ILE 19 7.052 -0.612 9.011 144 1HG2 ILE 19 1HG2 ILE 19 9.258 -0.649 5.416 145 2HG2 ILE 19 2HG2 ILE 19 8.325 0.738 5.976 146 3HG2 ILE 19 3HG2 ILE 19 9.948 0.458 6.599 147 1HD1 ILE 19 1HD1 ILE 19 9.071 0.770 9.492 148 2HD1 ILE 19 2HD1 ILE 19 8.530 1.877 8.231 149 3HD1 ILE 19 3HD1 ILE 19 7.527 1.606 9.657 150 H ALA 20 H ALA 20 5.383 -2.161 5.913 151 HA ALA 20 HA ALA 20 4.174 -3.259 8.326 152 1HB ALA 20 1HB ALA 20 4.257 -0.681 8.383 153 2HB ALA 20 2HB ALA 20 2.968 -0.774 7.182 154 3HB ALA 20 3HB ALA 20 2.742 -1.495 8.775 155 H VAL 21 H VAL 21 1.958 -3.937 8.032 156 HA VAL 21 HA VAL 21 0.963 -4.071 5.305 157 HB VAL 21 HB VAL 21 2.386 -6.045 5.435 158 1HG1 VAL 21 1HG1 VAL 21 2.035 -6.162 8.011 159 2HG1 VAL 21 2HG1 VAL 21 0.670 -7.198 7.592 160 3HG1 VAL 21 3HG1 VAL 21 2.302 -7.646 7.095 161 1HG2 VAL 21 1HG2 VAL 21 -0.427 -6.061 4.920 162 2HG2 VAL 21 2HG2 VAL 21 0.855 -6.965 4.117 163 3HG2 VAL 21 3HG2 VAL 21 0.066 -7.635 5.545 164 H GLU 22 H GLU 22 -1.155 -3.701 5.334 165 HA GLU 22 HA GLU 22 -2.807 -4.803 7.459 166 1HB GLU 22 1HB GLU 22 -2.854 -1.843 6.859 167 2HB GLU 22 2HB GLU 22 -3.822 -2.692 8.056 168 1HG GLU 22 1HG GLU 22 -1.507 -3.365 9.041 169 2HG GLU 22 2HG GLU 22 -0.930 -1.978 8.119 170 H VAL 23 H VAL 23 -2.716 -5.584 4.831 171 HA VAL 23 HA VAL 23 -5.354 -4.708 3.886 172 HB VAL 23 HB VAL 23 -4.411 -5.055 1.512 173 1HG1 VAL 23 1HG1 VAL 23 -5.139 -2.898 2.501 174 2HG1 VAL 23 2HG1 VAL 23 -3.485 -2.639 3.057 175 3HG1 VAL 23 3HG1 VAL 23 -3.831 -2.730 1.331 176 1HG2 VAL 23 1HG2 VAL 23 -2.212 -5.942 2.562 177 2HG2 VAL 23 2HG2 VAL 23 -2.128 -4.902 1.139 178 3HG2 VAL 23 3HG2 VAL 23 -1.809 -4.233 2.740 179 H ASN 24 H ASN 24 -6.666 -6.388 3.756 180 HA ASN 24 HA ASN 24 -5.555 -9.004 2.988 181 1HB ASN 24 1HB ASN 24 -6.252 -8.573 5.500 182 2HB ASN 24 2HB ASN 24 -7.869 -8.865 4.868 183 1HD2 ASN 24 2HD2 ASN 24 -8.022 -10.741 6.132 184 2HD2 ASN 24 1HD2 ASN 24 -7.212 -12.199 5.683 185 H VAL 25 H VAL 25 -7.333 -6.664 1.812 186 HA VAL 25 HA VAL 25 -9.000 -6.481 0.277 187 HB VAL 25 HB VAL 25 -8.538 -9.449 -0.022 188 1HG1 VAL 25 1HG1 VAL 25 -10.734 -8.621 -0.902 189 2HG1 VAL 25 2HG1 VAL 25 -9.829 -7.577 -1.997 190 3HG1 VAL 25 3HG1 VAL 25 -9.671 -9.329 -2.119 191 1HG2 VAL 25 1HG2 VAL 25 -6.570 -7.957 -0.420 192 2HG2 VAL 25 2HG2 VAL 25 -7.065 -8.909 -1.819 193 3HG2 VAL 25 3HG2 VAL 25 -7.485 -7.199 -1.722 194 H GLY 26 H GLY 26 -10.959 -5.978 1.031 195 1HA GLY 26 1HA GLY 26 -12.453 -8.047 2.516 196 2HA GLY 26 2HA GLY 26 -13.216 -7.135 1.224 197 H ASP 27 H ASP 27 -10.983 -5.344 3.084 198 HA ASP 27 HA ASP 27 -13.045 -4.397 4.926 199 1HB ASP 27 1HB ASP 27 -10.353 -4.886 5.272 200 2HB ASP 27 2HB ASP 27 -10.412 -3.133 5.112 201 H THR 28 H THR 28 -13.783 -2.304 4.988 202 HA THR 28 HA THR 28 -13.709 -0.853 2.532 203 HB THR 28 HB THR 28 -14.760 0.148 5.180 204 HG1 THR 28 HG1 THR 28 -15.994 -1.558 3.285 205 1HG2 THR 28 1HG2 THR 28 -14.674 1.729 3.232 206 2HG2 THR 28 2HG2 THR 28 -15.826 0.667 2.424 207 3HG2 THR 28 3HG2 THR 28 -16.269 1.462 3.934 208 H ILE 29 H ILE 29 -12.376 0.715 1.915 209 HA ILE 29 HA ILE 29 -10.502 1.805 3.903 210 HB ILE 29 HB ILE 29 -9.059 2.367 1.965 211 1HG1 ILE 29 1HG1 ILE 29 -10.181 0.581 0.045 212 2HG1 ILE 29 2HG1 ILE 29 -11.430 1.723 0.527 213 1HG2 ILE 29 1HG2 ILE 29 -9.086 0.131 3.302 214 2HG2 ILE 29 2HG2 ILE 29 -9.662 -0.552 1.780 215 3HG2 ILE 29 3HG2 ILE 29 -8.104 0.271 1.845 216 1HD1 ILE 29 1HD1 ILE 29 -8.781 2.859 -0.084 217 2HD1 ILE 29 2HD1 ILE 29 -9.696 2.195 -1.438 218 3HD1 ILE 29 3HD1 ILE 29 -10.396 3.472 -0.442 219 H ALA 30 H ALA 30 -9.914 4.035 3.767 220 HA ALA 30 HA ALA 30 -11.906 5.723 2.404 221 1HB ALA 30 1HB ALA 30 -12.545 5.834 4.658 222 2HB ALA 30 2HB ALA 30 -11.603 7.299 4.385 223 3HB ALA 30 3HB ALA 30 -10.875 5.925 5.217 224 H VAL 31 H VAL 31 -11.040 8.151 2.601 225 HA VAL 31 HA VAL 31 -8.516 8.130 1.177 226 HB VAL 31 HB VAL 31 -10.157 10.560 1.868 227 1HG1 VAL 31 1HG1 VAL 31 -7.706 10.446 0.789 228 2HG1 VAL 31 2HG1 VAL 31 -8.678 10.295 -0.675 229 3HG1 VAL 31 3HG1 VAL 31 -8.884 11.693 0.380 230 1HG2 VAL 31 1HG2 VAL 31 -11.517 8.754 0.757 231 2HG2 VAL 31 2HG2 VAL 31 -11.427 10.282 -0.118 232 3HG2 VAL 31 3HG2 VAL 31 -10.446 8.911 -0.635 233 H ASP 32 H ASP 32 -7.999 7.353 3.723 234 HA ASP 32 HA ASP 32 -5.900 8.822 4.586 235 1HB ASP 32 1HB ASP 32 -6.938 9.995 6.646 236 2HB ASP 32 2HB ASP 32 -7.093 10.782 5.077 237 H ASP 33 H ASP 33 -5.688 6.422 4.749 238 HA ASP 33 HA ASP 33 -5.902 5.650 7.524 239 1HB ASP 33 1HB ASP 33 -7.116 3.550 7.083 240 2HB ASP 33 2HB ASP 33 -8.103 4.961 6.714 241 H THR 34 H THR 34 -3.741 5.348 7.663 242 HA THR 34 HA THR 34 -1.963 4.420 5.825 243 HB THR 34 HB THR 34 -0.877 3.325 7.990 244 HG1 THR 34 HG1 THR 34 -2.593 3.615 9.365 245 1HG2 THR 34 1HG2 THR 34 -0.092 5.315 6.684 246 2HG2 THR 34 2HG2 THR 34 -1.074 6.304 7.765 247 3HG2 THR 34 3HG2 THR 34 0.254 5.341 8.414 248 H LEU 35 H LEU 35 -1.870 2.690 4.635 249 HA LEU 35 HA LEU 35 -3.165 0.225 5.517 250 1HB LEU 35 1HB LEU 35 -2.038 1.145 2.878 251 2HB LEU 35 2HB LEU 35 -2.522 -0.518 3.154 252 HG LEU 35 HG LEU 35 -4.283 1.927 3.157 253 1HD1 LEU 35 1HD1 LEU 35 -3.556 0.689 1.013 254 2HD1 LEU 35 2HD1 LEU 35 -4.654 -0.577 1.563 255 3HD1 LEU 35 3HD1 LEU 35 -5.266 1.047 1.251 256 1HD2 LEU 35 1HD2 LEU 35 -4.717 -0.778 4.314 257 2HD2 LEU 35 2HD2 LEU 35 -5.295 0.795 4.864 258 3HD2 LEU 35 3HD2 LEU 35 -6.060 0.008 3.484 259 H ILE 36 H ILE 36 -0.033 1.488 4.503 260 HA ILE 36 HA ILE 36 1.291 -0.572 6.067 261 HB ILE 36 HB ILE 36 2.896 -1.124 4.243 262 1HG1 ILE 36 1HG1 ILE 36 2.338 -0.722 1.931 263 2HG1 ILE 36 2HG1 ILE 36 0.846 0.093 2.379 264 1HG2 ILE 36 1HG2 ILE 36 0.539 -2.259 4.846 265 2HG2 ILE 36 2HG2 ILE 36 0.333 -1.982 3.118 266 3HG2 ILE 36 3HG2 ILE 36 1.700 -2.930 3.701 267 1HD1 ILE 36 1HD1 ILE 36 3.501 1.157 3.251 268 2HD1 ILE 36 2HD1 ILE 36 2.872 1.485 1.636 269 3HD1 ILE 36 3HD1 ILE 36 1.967 2.005 3.057 270 H THR 37 H THR 37 3.832 -0.186 5.558 271 HA THR 37 HA THR 37 4.473 2.623 5.339 272 HB THR 37 HB THR 37 4.956 1.034 7.866 273 HG1 THR 37 HG1 THR 37 3.249 2.104 8.408 274 1HG2 THR 37 1HG2 THR 37 6.978 2.344 7.155 275 2HG2 THR 37 2HG2 THR 37 5.993 3.796 7.326 276 3HG2 THR 37 3HG2 THR 37 6.299 2.769 8.726 277 H LEU 38 H LEU 38 6.271 2.754 4.136 278 HA LEU 38 HA LEU 38 7.973 0.358 3.998 279 1HB LEU 38 1HB LEU 38 7.172 2.380 1.942 280 2HB LEU 38 2HB LEU 38 8.636 1.434 1.736 281 HG LEU 38 HG LEU 38 6.812 -0.513 2.302 282 1HD1 LEU 38 1HD1 LEU 38 5.342 1.826 1.474 283 2HD1 LEU 38 2HD1 LEU 38 5.116 0.488 0.345 284 3HD1 LEU 38 3HD1 LEU 38 4.754 0.267 2.057 285 1HD2 LEU 38 1HD2 LEU 38 7.840 0.644 -0.261 286 2HD2 LEU 38 2HD2 LEU 38 8.303 -0.850 0.555 287 3HD2 LEU 38 3HD2 LEU 38 6.746 -0.740 -0.265 288 H GLU 39 H GLU 39 10.249 0.803 3.301 289 HA GLU 39 HA GLU 39 11.378 3.361 3.926 290 1HB GLU 39 1HB GLU 39 11.077 2.655 6.189 291 2HB GLU 39 2HB GLU 39 11.724 1.058 5.842 292 1HG GLU 39 1HG GLU 39 13.927 2.004 5.471 293 2HG GLU 39 2HG GLU 39 13.292 3.627 5.741 294 H THR 40 H THR 40 13.776 3.315 3.762 295 HA THR 40 HA THR 40 14.671 1.129 2.003 296 HB THR 40 HB THR 40 15.796 2.659 0.613 297 HG1 THR 40 HG1 THR 40 16.760 4.239 1.573 298 1HG2 THR 40 1HG2 THR 40 13.201 2.810 0.615 299 2HG2 THR 40 2HG2 THR 40 13.488 4.413 1.290 300 3HG2 THR 40 3HG2 THR 40 14.155 3.988 -0.286 301 H ASP 41 H ASP 41 15.941 3.814 3.954 302 HA ASP 41 HA ASP 41 17.483 2.186 5.651 303 1HB ASP 41 1HB ASP 41 18.699 2.848 3.093 304 2HB ASP 41 2HB ASP 41 19.655 3.444 4.447 305 H LYS 42 H LYS 42 17.123 5.329 4.094 306 HA LYS 42 HA LYS 42 17.878 6.597 6.646 307 1HB LYS 42 1HB LYS 42 18.404 7.352 3.816 308 2HB LYS 42 2HB LYS 42 18.129 8.650 4.969 309 1HG LYS 42 1HG LYS 42 19.940 6.877 6.184 310 2HG LYS 42 2HG LYS 42 20.485 7.102 4.521 311 1HD LYS 42 1HD LYS 42 20.764 9.393 4.788 312 2HD LYS 42 2HD LYS 42 19.686 9.459 6.184 313 1HE LYS 42 1HE LYS 42 21.835 9.718 7.080 314 2HE LYS 42 2HE LYS 42 21.423 8.030 7.383 315 1HZ LYS 42 1HZ LYS 42 22.714 8.361 4.864 316 2HZ LYS 42 2HZ LYS 42 23.671 8.960 6.123 317 3HZ LYS 42 3HZ LYS 42 23.131 7.357 6.160 318 H ALA 43 H ALA 43 15.383 6.168 4.323 319 HA ALA 43 HA ALA 43 13.712 8.061 5.825 320 1HB ALA 43 1HB ALA 43 14.607 8.630 3.312 321 2HB ALA 43 2HB ALA 43 13.148 9.295 4.046 322 3HB ALA 43 3HB ALA 43 13.040 7.890 2.985 323 H THR 44 H THR 44 11.524 7.544 5.972 324 HA THR 44 HA THR 44 10.728 4.912 4.928 325 HB THR 44 HB THR 44 9.918 4.172 6.976 326 HG1 THR 44 HG1 THR 44 9.455 5.546 8.697 327 1HG2 THR 44 1HG2 THR 44 12.526 4.948 6.979 328 2HG2 THR 44 2HG2 THR 44 11.901 5.746 8.421 329 3HG2 THR 44 3HG2 THR 44 11.741 3.999 8.242 330 H MET 45 H MET 45 8.666 4.780 4.157 331 HA MET 45 HA MET 45 7.000 7.197 4.435 332 1HB MET 45 1HB MET 45 7.861 5.721 2.053 333 2HB MET 45 2HB MET 45 6.135 6.041 2.105 334 1HG MET 45 1HG MET 45 7.536 8.408 2.853 335 2HG MET 45 2HG MET 45 8.212 7.787 1.349 336 1HE MET 45 1HE MET 45 7.455 10.293 1.284 337 2HE MET 45 2HE MET 45 6.736 10.210 -0.325 338 3HE MET 45 3HE MET 45 5.796 10.839 1.029 339 H ASP 46 H ASP 46 4.705 6.470 3.359 340 HA ASP 46 HA ASP 46 3.735 3.908 4.095 341 1HB ASP 46 1HB ASP 46 2.251 4.629 5.944 342 2HB ASP 46 2HB ASP 46 3.956 4.767 6.365 343 H VAL 47 H VAL 47 1.393 3.722 3.710 344 HA VAL 47 HA VAL 47 0.407 5.914 2.004 345 HB VAL 47 HB VAL 47 -0.076 2.966 1.577 346 1HG1 VAL 47 1HG1 VAL 47 -1.783 4.895 0.883 347 2HG1 VAL 47 2HG1 VAL 47 -0.683 5.002 -0.492 348 3HG1 VAL 47 3HG1 VAL 47 -1.492 3.479 -0.130 349 1HG2 VAL 47 1HG2 VAL 47 2.260 3.988 1.080 350 2HG2 VAL 47 2HG2 VAL 47 1.481 2.982 -0.140 351 3HG2 VAL 47 3HG2 VAL 47 1.447 4.737 -0.294 352 HA PRO 48 HA PRO 48 -3.096 5.538 4.761 353 1HB PRO 48 1HB PRO 48 -4.277 7.840 4.147 354 2HB PRO 48 2HB PRO 48 -2.733 7.819 5.008 355 1HG PRO 48 1HG PRO 48 -3.300 8.422 2.147 356 2HG PRO 48 2HG PRO 48 -2.079 9.120 3.223 357 1HD PRO 48 1HD PRO 48 -1.671 7.076 1.328 358 2HD PRO 48 2HD PRO 48 -0.545 7.570 2.606 359 H ALA 49 H ALA 49 -3.117 4.199 2.107 360 HA ALA 49 HA ALA 49 -4.724 3.024 0.961 361 1HB ALA 49 1HB ALA 49 -6.851 4.843 2.050 362 2HB ALA 49 2HB ALA 49 -6.209 3.481 2.968 363 3HB ALA 49 3HB ALA 49 -7.021 3.201 1.428 364 H GLU 50 H GLU 50 -5.415 6.500 1.088 365 HA GLU 50 HA GLU 50 -5.813 8.042 -0.525 366 1HB GLU 50 1HB GLU 50 -3.457 7.383 -1.064 367 2HB GLU 50 2HB GLU 50 -4.099 6.253 -2.248 368 1HG GLU 50 1HG GLU 50 -3.794 7.949 -3.672 369 2HG GLU 50 2HG GLU 50 -5.331 8.521 -3.025 370 H VAL 51 H VAL 51 -7.975 6.640 -0.281 371 HA VAL 51 HA VAL 51 -9.202 6.727 -2.820 372 HB VAL 51 HB VAL 51 -9.762 4.043 -2.380 373 1HG1 VAL 51 1HG1 VAL 51 -7.888 5.351 -4.341 374 2HG1 VAL 51 2HG1 VAL 51 -8.548 3.726 -4.503 375 3HG1 VAL 51 3HG1 VAL 51 -9.625 5.122 -4.531 376 1HG2 VAL 51 1HG2 VAL 51 -7.517 4.262 -0.972 377 2HG2 VAL 51 2HG2 VAL 51 -7.860 2.842 -1.960 378 3HG2 VAL 51 3HG2 VAL 51 -6.794 4.107 -2.573 379 H ALA 52 H ALA 52 -11.355 5.100 -2.537 380 HA ALA 52 HA ALA 52 -12.453 5.381 0.137 381 1HB ALA 52 1HB ALA 52 -12.783 7.603 -0.710 382 2HB ALA 52 2HB ALA 52 -13.518 6.962 -2.183 383 3HB ALA 52 3HB ALA 52 -14.336 6.768 -0.632 384 H GLY 53 H GLY 53 -12.304 2.998 -0.655 385 1HA GLY 53 1HA GLY 53 -13.809 1.828 -2.581 386 2HA GLY 53 2HA GLY 53 -14.998 2.212 -1.347 387 H VAL 54 H VAL 54 -13.790 -0.344 -2.464 388 HA VAL 54 HA VAL 54 -12.958 -1.542 0.099 389 HB VAL 54 HB VAL 54 -14.760 -2.790 -1.984 390 1HG1 VAL 54 1HG1 VAL 54 -13.318 -3.871 0.362 391 2HG1 VAL 54 2HG1 VAL 54 -14.981 -4.409 0.135 392 3HG1 VAL 54 3HG1 VAL 54 -13.791 -4.659 -1.143 393 1HG2 VAL 54 1HG2 VAL 54 -15.878 -1.058 -0.653 394 2HG2 VAL 54 2HG2 VAL 54 -16.504 -2.666 -0.288 395 3HG2 VAL 54 3HG2 VAL 54 -15.385 -1.881 0.826 396 H VAL 55 H VAL 55 -11.205 -2.887 0.022 397 HA VAL 55 HA VAL 55 -9.626 -2.887 -2.345 398 HB VAL 55 HB VAL 55 -9.211 -4.506 0.167 399 1HG1 VAL 55 1HG1 VAL 55 -8.020 -5.336 -1.878 400 2HG1 VAL 55 2HG1 VAL 55 -7.211 -3.771 -1.973 401 3HG1 VAL 55 3HG1 VAL 55 -6.946 -4.815 -0.577 402 1HG2 VAL 55 1HG2 VAL 55 -9.282 -1.912 0.259 403 2HG2 VAL 55 2HG2 VAL 55 -7.945 -2.766 1.030 404 3HG2 VAL 55 3HG2 VAL 55 -7.717 -2.013 -0.548 405 H LYS 56 H LYS 56 -9.077 -4.515 -3.707 406 HA LYS 56 HA LYS 56 -10.758 -6.936 -3.607 407 1HB LYS 56 1HB LYS 56 -9.629 -6.459 -6.219 408 2HB LYS 56 2HB LYS 56 -11.317 -6.647 -5.763 409 1HG LYS 56 1HG LYS 56 -9.873 -4.045 -5.409 410 2HG LYS 56 2HG LYS 56 -10.625 -4.493 -6.942 411 1HD LYS 56 1HD LYS 56 -12.091 -4.455 -4.309 412 2HD LYS 56 2HD LYS 56 -12.050 -3.086 -5.422 413 1HE LYS 56 1HE LYS 56 -13.422 -4.094 -6.927 414 2HE LYS 56 2HE LYS 56 -12.823 -5.709 -6.555 415 1HZ LYS 56 1HZ LYS 56 -14.533 -4.181 -4.682 416 2HZ LYS 56 2HZ LYS 56 -15.175 -5.205 -5.865 417 3HZ LYS 56 3HZ LYS 56 -14.174 -5.834 -4.654 418 H GLU 57 H GLU 57 -7.673 -5.572 -4.644 419 HA GLU 57 HA GLU 57 -6.519 -8.239 -4.430 420 1HB GLU 57 1HB GLU 57 -6.009 -5.961 -6.238 421 2HB GLU 57 2HB GLU 57 -4.595 -6.871 -5.725 422 1HG GLU 57 1HG GLU 57 -5.385 -8.854 -6.700 423 2HG GLU 57 2HG GLU 57 -7.017 -8.211 -6.878 424 H VAL 58 H VAL 58 -4.072 -8.131 -3.903 425 HA VAL 58 HA VAL 58 -3.187 -6.029 -2.169 426 HB VAL 58 HB VAL 58 -4.715 -7.124 -0.615 427 1HG1 VAL 58 1HG1 VAL 58 -3.736 -9.493 -1.866 428 2HG1 VAL 58 2HG1 VAL 58 -3.433 -9.595 -0.131 429 3HG1 VAL 58 3HG1 VAL 58 -5.070 -9.312 -0.725 430 1HG2 VAL 58 1HG2 VAL 58 -2.139 -6.454 -0.115 431 2HG2 VAL 58 2HG2 VAL 58 -3.295 -6.949 1.122 432 3HG2 VAL 58 3HG2 VAL 58 -2.164 -8.124 0.451 433 H LYS 59 H LYS 59 -1.045 -5.974 -2.257 434 HA LYS 59 HA LYS 59 0.482 -8.438 -2.529 435 1HB LYS 59 1HB LYS 59 0.668 -6.149 -4.486 436 2HB LYS 59 2HB LYS 59 1.778 -7.513 -4.424 437 1HG LYS 59 1HG LYS 59 0.420 -8.389 -5.977 438 2HG LYS 59 2HG LYS 59 -0.598 -8.800 -4.593 439 1HD LYS 59 1HD LYS 59 -2.218 -7.507 -5.382 440 2HD LYS 59 2HD LYS 59 -1.141 -6.111 -5.345 441 1HE LYS 59 1HE LYS 59 -2.055 -6.465 -7.581 442 2HE LYS 59 2HE LYS 59 -0.305 -6.686 -7.562 443 1HZ LYS 59 1HZ LYS 59 -1.818 -9.102 -7.102 444 2HZ LYS 59 2HZ LYS 59 -2.054 -8.421 -8.632 445 3HZ LYS 59 3HZ LYS 59 -0.494 -8.829 -8.120 446 H VAL 60 H VAL 60 0.923 -7.722 -0.315 447 HA VAL 60 HA VAL 60 3.425 -6.430 -0.129 448 HB VAL 60 HB VAL 60 2.504 -4.323 -0.339 449 1HG1 VAL 60 1HG1 VAL 60 0.089 -5.259 1.201 450 2HG1 VAL 60 2HG1 VAL 60 0.327 -3.631 0.566 451 3HG1 VAL 60 3HG1 VAL 60 0.191 -4.999 -0.542 452 1HG2 VAL 60 1HG2 VAL 60 3.683 -4.564 1.862 453 2HG2 VAL 60 2HG2 VAL 60 2.537 -3.227 1.776 454 3HG2 VAL 60 3HG2 VAL 60 2.099 -4.711 2.622 455 H LYS 61 H LYS 61 4.259 -6.421 2.029 456 HA LYS 61 HA LYS 61 2.727 -7.506 4.199 457 1HB LYS 61 1HB LYS 61 3.651 -9.407 2.505 458 2HB LYS 61 2HB LYS 61 5.029 -9.257 3.587 459 1HG LYS 61 1HG LYS 61 4.008 -10.550 5.058 460 2HG LYS 61 2HG LYS 61 2.700 -9.371 5.189 461 1HD LYS 61 1HD LYS 61 1.379 -10.472 3.638 462 2HD LYS 61 2HD LYS 61 2.755 -11.293 2.898 463 1HE LYS 61 1HE LYS 61 1.603 -12.958 4.097 464 2HE LYS 61 2HE LYS 61 2.999 -12.545 5.091 465 1HZ LYS 61 1HZ LYS 61 0.511 -11.095 5.585 466 2HZ LYS 61 2HZ LYS 61 0.582 -12.707 6.088 467 3HZ LYS 61 3HZ LYS 61 1.708 -11.590 6.674 468 H VAL 62 H VAL 62 4.910 -8.563 5.664 469 HA VAL 62 HA VAL 62 6.458 -6.099 6.107 470 HB VAL 62 HB VAL 62 5.810 -8.301 8.072 471 1HG1 VAL 62 1HG1 VAL 62 8.004 -7.112 8.394 472 2HG1 VAL 62 2HG1 VAL 62 7.080 -5.629 8.635 473 3HG1 VAL 62 3HG1 VAL 62 6.874 -6.987 9.741 474 1HG2 VAL 62 1HG2 VAL 62 4.045 -6.504 7.201 475 2HG2 VAL 62 2HG2 VAL 62 4.085 -7.059 8.875 476 3HG2 VAL 62 3HG2 VAL 62 4.839 -5.526 8.436 477 H GLY 63 H GLY 63 7.929 -6.880 4.396 478 1HA GLY 63 1HA GLY 63 9.680 -9.072 5.298 479 2HA GLY 63 2HA GLY 63 10.368 -7.507 4.897 480 H ASP 64 H ASP 64 8.799 -6.901 2.636 481 HA ASP 64 HA ASP 64 9.831 -8.917 0.755 482 1HB ASP 64 1HB ASP 64 7.847 -8.398 -0.702 483 2HB ASP 64 2HB ASP 64 7.459 -9.247 0.791 484 H LYS 65 H LYS 65 10.858 -8.158 -1.028 485 HA LYS 65 HA LYS 65 11.756 -5.453 -1.005 486 1HB LYS 65 1HB LYS 65 12.188 -7.811 -2.802 487 2HB LYS 65 2HB LYS 65 12.706 -6.214 -3.323 488 1HG LYS 65 1HG LYS 65 13.633 -6.574 -0.679 489 2HG LYS 65 2HG LYS 65 14.018 -8.039 -1.583 490 1HD LYS 65 1HD LYS 65 14.549 -5.501 -2.982 491 2HD LYS 65 2HD LYS 65 15.561 -5.820 -1.572 492 1HE LYS 65 1HE LYS 65 15.159 -8.027 -3.516 493 2HE LYS 65 2HE LYS 65 16.198 -6.688 -4.001 494 1HZ LYS 65 1HZ LYS 65 16.925 -7.383 -1.414 495 2HZ LYS 65 2HZ LYS 65 16.780 -8.834 -2.269 496 3HZ LYS 65 3HZ LYS 65 17.813 -7.619 -2.833 497 H ILE 66 H ILE 66 10.496 -3.828 -1.597 498 HA ILE 66 HA ILE 66 9.066 -4.027 -4.141 499 HB ILE 66 HB ILE 66 7.806 -3.995 -1.575 500 1HG1 ILE 66 1HG1 ILE 66 5.821 -4.421 -2.863 501 2HG1 ILE 66 2HG1 ILE 66 6.562 -3.742 -4.311 502 1HG2 ILE 66 1HG2 ILE 66 7.890 -1.554 -1.653 503 2HG2 ILE 66 2HG2 ILE 66 7.085 -1.579 -3.219 504 3HG2 ILE 66 3HG2 ILE 66 6.236 -2.152 -1.785 505 1HD1 ILE 66 1HD1 ILE 66 7.772 -6.098 -2.928 506 2HD1 ILE 66 2HD1 ILE 66 6.439 -6.291 -4.070 507 3HD1 ILE 66 3HD1 ILE 66 7.960 -5.567 -4.599 508 H SER 67 H SER 67 8.268 -1.781 -4.839 509 HA SER 67 HA SER 67 9.806 0.435 -3.782 510 1HB SER 67 1HB SER 67 10.387 0.724 -6.465 511 2HB SER 67 2HB SER 67 11.507 0.160 -5.226 512 HG SER 67 HG SER 67 9.768 -1.621 -6.553 513 H GLU 68 H GLU 68 9.274 2.491 -4.866 514 HA GLU 68 HA GLU 68 6.641 3.109 -4.909 515 1HB GLU 68 1HB GLU 68 7.310 5.002 -6.522 516 2HB GLU 68 2HB GLU 68 8.101 4.925 -4.955 517 1HG GLU 68 1HG GLU 68 10.022 5.052 -6.046 518 2HG GLU 68 2HG GLU 68 9.727 3.399 -6.584 519 H GLY 69 H GLY 69 5.073 2.065 -5.975 520 1HA GLY 69 1HA GLY 69 5.243 1.993 -8.901 521 2HA GLY 69 2HA GLY 69 3.771 1.886 -7.954 522 H GLY 70 H GLY 70 3.619 -0.137 -6.538 523 1HA GLY 70 1HA GLY 70 4.689 -2.448 -6.421 524 2HA GLY 70 2HA GLY 70 4.552 -2.413 -8.174 525 H LEU 71 H LEU 71 1.932 -0.895 -7.787 526 HA LEU 71 HA LEU 71 -0.293 -1.315 -7.449 527 1HB LEU 71 1HB LEU 71 0.018 -2.446 -9.536 528 2HB LEU 71 2HB LEU 71 0.675 -3.861 -8.737 529 HG LEU 71 HG LEU 71 -1.406 -4.619 -8.056 530 1HD1 LEU 71 1HD1 LEU 71 -2.113 -1.758 -8.006 531 2HD1 LEU 71 2HD1 LEU 71 -3.414 -2.867 -8.443 532 3HD1 LEU 71 3HD1 LEU 71 -2.567 -3.063 -6.909 533 1HD2 LEU 71 1HD2 LEU 71 -1.900 -3.151 -10.640 534 2HD2 LEU 71 2HD2 LEU 71 -1.234 -4.775 -10.461 535 3HD2 LEU 71 3HD2 LEU 71 -2.905 -4.450 -9.999 536 H ILE 72 H ILE 72 0.648 -1.427 -5.064 537 HA ILE 72 HA ILE 72 0.782 -3.749 -3.616 538 HB ILE 72 HB ILE 72 0.004 -0.955 -2.937 539 1HG1 ILE 72 1HG1 ILE 72 2.005 -2.533 -1.427 540 2HG1 ILE 72 2HG1 ILE 72 2.362 -2.214 -3.122 541 1HG2 ILE 72 1HG2 ILE 72 -0.710 -3.312 -1.297 542 2HG2 ILE 72 2HG2 ILE 72 0.096 -1.989 -0.450 543 3HG2 ILE 72 3HG2 ILE 72 -1.408 -1.692 -1.322 544 1HD1 ILE 72 1HD1 ILE 72 1.436 0.149 -1.745 545 2HD1 ILE 72 2HD1 ILE 72 2.871 -0.552 -0.993 546 3HD1 ILE 72 3HD1 ILE 72 2.895 -0.111 -2.700 547 H VAL 73 H VAL 73 -2.157 -1.721 -3.469 548 HA VAL 73 HA VAL 73 -3.755 -4.172 -3.707 549 HB VAL 73 HB VAL 73 -5.190 -3.537 -1.872 550 1HG1 VAL 73 1HG1 VAL 73 -2.480 -4.307 -1.614 551 2HG1 VAL 73 2HG1 VAL 73 -2.855 -3.225 -0.273 552 3HG1 VAL 73 3HG1 VAL 73 -3.828 -4.672 -0.538 553 1HG2 VAL 73 1HG2 VAL 73 -4.970 -1.096 -2.112 554 2HG2 VAL 73 2HG2 VAL 73 -4.729 -1.627 -0.448 555 3HG2 VAL 73 3HG2 VAL 73 -3.340 -1.191 -1.443 556 H VAL 74 H VAL 74 -5.760 -3.971 -4.595 557 HA VAL 74 HA VAL 74 -6.345 -1.409 -5.929 558 HB VAL 74 HB VAL 74 -7.253 -4.228 -6.579 559 1HG1 VAL 74 1HG1 VAL 74 -8.820 -2.181 -7.090 560 2HG1 VAL 74 2HG1 VAL 74 -7.696 -1.931 -8.423 561 3HG1 VAL 74 3HG1 VAL 74 -8.575 -3.453 -8.285 562 1HG2 VAL 74 1HG2 VAL 74 -5.179 -2.410 -7.737 563 2HG2 VAL 74 2HG2 VAL 74 -5.051 -4.111 -7.287 564 3HG2 VAL 74 3HG2 VAL 74 -5.947 -3.646 -8.731 565 H VAL 75 H VAL 75 -8.273 -0.378 -5.541 566 HA VAL 75 HA VAL 75 -10.159 -1.739 -3.749 567 HB VAL 75 HB VAL 75 -10.620 0.668 -2.907 568 1HG1 VAL 75 1HG1 VAL 75 -8.280 -1.054 -2.161 569 2HG1 VAL 75 2HG1 VAL 75 -8.691 0.399 -1.250 570 3HG1 VAL 75 3HG1 VAL 75 -9.851 -0.924 -1.371 571 1HG2 VAL 75 1HG2 VAL 75 -8.757 1.349 -4.745 572 2HG2 VAL 75 2HG2 VAL 75 -9.146 2.313 -3.320 573 3HG2 VAL 75 3HG2 VAL 75 -7.762 1.220 -3.294 574 H GLU 76 H GLU 76 -12.311 -0.659 -3.668 575 HA GLU 76 HA GLU 76 -13.169 -0.030 -6.398 576 1HB GLU 76 1HB GLU 76 -14.217 -1.687 -4.327 577 2HB GLU 76 2HB GLU 76 -15.381 -0.406 -4.632 578 1HG GLU 76 1HG GLU 76 -15.243 -0.985 -7.065 579 2HG GLU 76 2HG GLU 76 -14.285 -2.390 -6.602 580 H ALA 77 H ALA 77 -11.929 2.068 -5.183 581 HA ALA 77 HA ALA 77 -13.062 3.833 -3.579 582 1HB ALA 77 1HB ALA 77 -11.779 5.444 -4.526 583 2HB ALA 77 2HB ALA 77 -12.185 4.953 -6.171 584 3HB ALA 77 3HB ALA 77 -11.036 4.006 -5.225 585 H GLU 78 H GLU 78 -14.639 5.386 -3.528 586 HA GLU 78 HA GLU 78 -16.757 6.158 -3.863 587 1HB GLU 78 1HB GLU 78 -17.101 7.294 -5.925 588 2HB GLU 78 2HB GLU 78 -15.381 7.396 -5.574 589 1HG GLU 78 1HG GLU 78 -14.838 5.827 -7.226 590 2HG GLU 78 2HG GLU 78 -16.507 5.276 -7.372 591 H GLY 79 H GLY 79 -16.325 3.254 -4.044 592 1HA GLY 79 1HA GLY 79 -17.642 1.408 -4.373 593 2HA GLY 79 2HA GLY 79 -17.707 1.960 -6.040 594 H THR 80 H THR 80 -19.839 1.074 -6.151 595 HA THR 80 HA THR 80 -21.854 2.830 -4.914 596 HB THR 80 HB THR 80 -21.685 2.970 -7.391 597 HG1 THR 80 HG1 THR 80 -23.857 2.924 -7.679 598 1HG2 THR 80 1HG2 THR 80 -21.133 0.493 -7.665 599 2HG2 THR 80 2HG2 THR 80 -22.870 0.227 -7.525 600 3HG2 THR 80 3HG2 THR 80 -22.234 1.229 -8.830 601 H ALA 81 H ALA 81 -20.852 -0.450 -5.478 602 HA ALA 81 HA ALA 81 -23.306 -1.613 -4.498 603 1HB ALA 81 1HB ALA 81 -21.029 -2.530 -5.930 604 2HB ALA 81 2HB ALA 81 -22.545 -3.373 -5.614 605 3HB ALA 81 3HB ALA 81 -21.204 -3.516 -4.477 No H/Q in entry = 605 Start of MODEL 6 1 H1 ALA 1 H1 ALA 1 -13.701 4.502 -10.893 2 H2 ALA 1 H2 ALA 1 -12.879 3.527 -12.041 3 H3 ALA 1 H3 ALA 1 -14.440 4.146 -12.398 4 HA ALA 1 HA ALA 1 -15.408 2.841 -10.706 5 1HB ALA 1 1HB ALA 1 -15.333 1.790 -12.827 6 2HB ALA 1 2HB ALA 1 -13.630 1.372 -12.636 7 3HB ALA 1 3HB ALA 1 -14.850 0.571 -11.647 8 H LEU 2 H LEU 2 -12.382 1.089 -11.136 9 HA LEU 2 HA LEU 2 -12.216 0.788 -8.221 10 1HB LEU 2 1HB LEU 2 -10.929 -0.787 -10.452 11 2HB LEU 2 2HB LEU 2 -10.671 -1.091 -8.745 12 HG LEU 2 HG LEU 2 -13.427 -1.164 -8.993 13 1HD1 LEU 2 1HD1 LEU 2 -12.195 -1.808 -11.552 14 2HD1 LEU 2 2HD1 LEU 2 -13.211 -3.103 -10.920 15 3HD1 LEU 2 3HD1 LEU 2 -13.883 -1.489 -11.152 16 1HD2 LEU 2 1HD2 LEU 2 -11.497 -2.705 -7.937 17 2HD2 LEU 2 2HD2 LEU 2 -13.174 -3.224 -8.103 18 3HD2 LEU 2 3HD2 LEU 2 -11.976 -3.714 -9.302 19 H VAL 3 H VAL 3 -9.779 0.352 -7.566 20 HA VAL 3 HA VAL 3 -8.005 2.295 -8.835 21 HB VAL 3 HB VAL 3 -9.087 2.502 -6.054 22 1HG1 VAL 3 1HG1 VAL 3 -6.678 2.234 -5.682 23 2HG1 VAL 3 2HG1 VAL 3 -6.360 3.540 -6.826 24 3HG1 VAL 3 3HG1 VAL 3 -7.213 3.877 -5.319 25 1HG2 VAL 3 1HG2 VAL 3 -9.084 4.053 -8.442 26 2HG2 VAL 3 2HG2 VAL 3 -9.947 4.340 -6.932 27 3HG2 VAL 3 3HG2 VAL 3 -8.317 4.979 -7.151 28 H GLU 4 H GLU 4 -5.774 2.133 -8.047 29 HA GLU 4 HA GLU 4 -5.106 -0.433 -6.801 30 1HB GLU 4 1HB GLU 4 -3.086 -0.126 -8.651 31 2HB GLU 4 2HB GLU 4 -4.432 -1.246 -8.783 32 1HG GLU 4 1HG GLU 4 -4.364 -0.137 -10.834 33 2HG GLU 4 2HG GLU 4 -5.679 0.637 -9.950 34 H LEU 5 H LEU 5 -3.885 -0.033 -5.083 35 HA LEU 5 HA LEU 5 -2.664 2.491 -4.629 36 1HB LEU 5 1HB LEU 5 -3.474 0.558 -2.981 37 2HB LEU 5 2HB LEU 5 -1.779 0.113 -3.081 38 HG LEU 5 HG LEU 5 -1.414 2.671 -2.527 39 1HD1 LEU 5 1HD1 LEU 5 -4.219 2.102 -1.651 40 2HD1 LEU 5 2HD1 LEU 5 -3.208 3.252 -0.775 41 3HD1 LEU 5 3HD1 LEU 5 -3.574 3.519 -2.479 42 1HD2 LEU 5 1HD2 LEU 5 -2.207 0.598 -0.485 43 2HD2 LEU 5 2HD2 LEU 5 -0.603 0.812 -1.187 44 3HD2 LEU 5 3HD2 LEU 5 -1.288 2.067 -0.156 45 H LYS 6 H LYS 6 -0.360 2.820 -4.155 46 HA LYS 6 HA LYS 6 1.454 1.018 -5.563 47 1HB LYS 6 1HB LYS 6 1.396 3.980 -6.142 48 2HB LYS 6 2HB LYS 6 2.412 2.770 -6.906 49 1HG LYS 6 1HG LYS 6 -0.064 1.783 -7.426 50 2HG LYS 6 2HG LYS 6 -0.359 3.523 -7.459 51 1HD LYS 6 1HD LYS 6 2.081 2.798 -8.853 52 2HD LYS 6 2HD LYS 6 0.666 1.981 -9.522 53 1HE LYS 6 1HE LYS 6 0.270 3.859 -10.655 54 2HE LYS 6 2HE LYS 6 -0.201 4.575 -9.114 55 1HZ LYS 6 1HZ LYS 6 2.644 4.550 -9.787 56 2HZ LYS 6 2HZ LYS 6 1.655 5.636 -10.626 57 3HZ LYS 6 3HZ LYS 6 1.745 5.704 -8.938 58 H VAL 7 H VAL 7 3.546 1.057 -4.856 59 HA VAL 7 HA VAL 7 4.186 1.496 -2.267 60 HB VAL 7 HB VAL 7 6.076 1.859 -4.602 61 1HG1 VAL 7 1HG1 VAL 7 6.897 2.709 -2.392 62 2HG1 VAL 7 2HG1 VAL 7 6.757 1.059 -1.787 63 3HG1 VAL 7 3HG1 VAL 7 7.868 1.422 -3.108 64 1HG2 VAL 7 1HG2 VAL 7 4.862 -0.284 -4.617 65 2HG2 VAL 7 2HG2 VAL 7 6.587 -0.488 -4.337 66 3HG2 VAL 7 3HG2 VAL 7 5.457 -0.611 -2.990 67 HA PRO 8 HA PRO 8 4.247 5.891 -1.725 68 1HB PRO 8 1HB PRO 8 5.538 6.057 0.633 69 2HB PRO 8 2HB PRO 8 3.879 5.459 0.499 70 1HG PRO 8 1HG PRO 8 6.429 3.919 0.784 71 2HG PRO 8 2HG PRO 8 4.856 3.630 1.548 72 1HD PRO 8 1HD PRO 8 5.761 2.253 -0.631 73 2HD PRO 8 2HD PRO 8 4.042 2.504 -0.277 74 H ASP 9 H ASP 9 6.030 7.471 -0.598 75 HA ASP 9 HA ASP 9 8.324 7.324 -2.407 76 1HB ASP 9 1HB ASP 9 6.631 9.421 -1.402 77 2HB ASP 9 2HB ASP 9 8.313 9.776 -1.020 78 H ILE 10 H ILE 10 9.497 5.766 -1.153 79 HA ILE 10 HA ILE 10 10.238 6.383 1.553 80 HB ILE 10 HB ILE 10 11.908 4.445 1.144 81 1HG1 ILE 10 1HG1 ILE 10 11.455 2.976 -0.668 82 2HG1 ILE 10 2HG1 ILE 10 9.985 3.840 -1.100 83 1HG2 ILE 10 1HG2 ILE 10 9.809 4.385 2.470 84 2HG2 ILE 10 2HG2 ILE 10 8.955 3.888 1.008 85 3HG2 ILE 10 3HG2 ILE 10 10.206 2.850 1.696 86 1HD1 ILE 10 1HD1 ILE 10 11.402 5.776 -1.754 87 2HD1 ILE 10 2HD1 ILE 10 12.820 4.764 -1.477 88 3HD1 ILE 10 3HD1 ILE 10 11.652 4.324 -2.725 89 H GLY 11 H GLY 11 11.201 7.792 -1.228 90 1HA GLY 11 1HA GLY 11 13.506 8.949 -0.017 91 2HA GLY 11 2HA GLY 11 12.935 9.242 -1.652 92 H GLY 12 H GLY 12 14.314 6.469 0.140 93 1HA GLY 12 1HA GLY 12 15.802 4.852 -0.586 94 2HA GLY 12 2HA GLY 12 16.781 6.271 -0.918 95 H HIS 13 H HIS 13 14.573 3.920 -2.310 96 HA HIS 13 HA HIS 13 14.561 4.842 -4.948 97 1HB HIS 13 1HB HIS 13 16.238 3.283 -5.950 98 2HB HIS 13 2HB HIS 13 16.954 4.550 -4.960 99 HD1 HIS 13 HD1 HIS 13 16.381 0.855 -5.061 100 HD2 HIS 13 HD2 HIS 13 18.259 3.671 -2.651 101 HE1 HIS 13 HE1 HIS 13 17.789 -0.470 -3.452 102 HE2 HIS 13 HE2 HIS 13 18.843 1.252 -1.944 103 H GLU 14 H GLU 14 14.479 2.661 -6.476 104 HA GLU 14 HA GLU 14 12.084 1.390 -5.702 105 1HB GLU 14 1HB GLU 14 14.081 0.760 -7.875 106 2HB GLU 14 2HB GLU 14 12.567 -0.113 -7.678 107 1HG GLU 14 1HG GLU 14 11.468 2.213 -7.810 108 2HG GLU 14 2HG GLU 14 13.012 2.729 -8.488 109 H ASN 15 H ASN 15 11.960 -1.119 -5.884 110 HA ASN 15 HA ASN 15 12.199 -3.013 -4.625 111 1HB ASN 15 1HB ASN 15 14.517 -4.012 -4.830 112 2HB ASN 15 2HB ASN 15 13.741 -3.568 -6.346 113 1HD2 ASN 15 2HD2 ASN 15 16.435 -3.158 -4.336 114 2HD2 ASN 15 1HD2 ASN 15 17.245 -1.946 -5.263 115 H VAL 16 H VAL 16 11.677 -1.916 -2.619 116 HA VAL 16 HA VAL 16 13.992 -1.803 -0.797 117 HB VAL 16 HB VAL 16 12.858 -0.121 0.535 118 1HG1 VAL 16 1HG1 VAL 16 13.480 0.351 -2.310 119 2HG1 VAL 16 2HG1 VAL 16 12.617 1.641 -1.472 120 3HG1 VAL 16 3HG1 VAL 16 14.172 1.076 -0.859 121 1HG2 VAL 16 1HG2 VAL 16 10.556 -1.019 -0.712 122 2HG2 VAL 16 2HG2 VAL 16 10.686 0.353 0.386 123 3HG2 VAL 16 3HG2 VAL 16 10.785 0.606 -1.356 124 H ASP 17 H ASP 17 12.936 -1.837 1.607 125 HA ASP 17 HA ASP 17 11.357 -4.314 1.636 126 1HB ASP 17 1HB ASP 17 13.519 -3.233 3.358 127 2HB ASP 17 2HB ASP 17 12.255 -4.159 4.161 128 H ILE 18 H ILE 18 9.282 -4.139 2.151 129 HA ILE 18 HA ILE 18 8.022 -1.818 3.027 130 HB ILE 18 HB ILE 18 7.221 -4.720 3.068 131 1HG1 ILE 18 1HG1 ILE 18 5.825 -2.493 1.638 132 2HG1 ILE 18 2HG1 ILE 18 7.346 -3.114 1.003 133 1HG2 ILE 18 1HG2 ILE 18 5.535 -2.416 4.037 134 2HG2 ILE 18 2HG2 ILE 18 4.940 -4.041 3.699 135 3HG2 ILE 18 3HG2 ILE 18 6.109 -3.782 4.992 136 1HD1 ILE 18 1HD1 ILE 18 5.471 -5.225 1.665 137 2HD1 ILE 18 2HD1 ILE 18 4.841 -4.095 0.466 138 3HD1 ILE 18 3HD1 ILE 18 6.368 -4.927 0.177 139 H ILE 19 H ILE 19 6.831 -1.584 5.189 140 HA ILE 19 HA ILE 19 8.386 -2.810 7.351 141 HB ILE 19 HB ILE 19 9.333 -0.958 8.147 142 1HG1 ILE 19 1HG1 ILE 19 7.887 1.364 7.747 143 2HG1 ILE 19 2HG1 ILE 19 6.635 0.174 8.045 144 1HG2 ILE 19 1HG2 ILE 19 8.566 -0.102 5.399 145 2HG2 ILE 19 2HG2 ILE 19 9.392 1.022 6.468 146 3HG2 ILE 19 3HG2 ILE 19 10.148 -0.515 6.058 147 1HD1 ILE 19 1HD1 ILE 19 7.965 -0.490 10.096 148 2HD1 ILE 19 2HD1 ILE 19 8.907 0.977 9.818 149 3HD1 ILE 19 3HD1 ILE 19 7.174 1.087 10.134 150 H ALA 20 H ALA 20 5.409 -2.443 6.169 151 HA ALA 20 HA ALA 20 4.168 -3.195 8.615 152 1HB ALA 20 1HB ALA 20 4.395 -0.672 8.798 153 2HB ALA 20 2HB ALA 20 3.195 -0.581 7.511 154 3HB ALA 20 3HB ALA 20 2.785 -1.347 9.045 155 H VAL 21 H VAL 21 2.014 -3.906 8.344 156 HA VAL 21 HA VAL 21 0.981 -3.916 5.601 157 HB VAL 21 HB VAL 21 1.238 -6.388 7.324 158 1HG1 VAL 21 1HG1 VAL 21 0.014 -6.000 4.594 159 2HG1 VAL 21 2HG1 VAL 21 0.321 -7.564 5.348 160 3HG1 VAL 21 3HG1 VAL 21 -0.828 -6.445 6.079 161 1HG2 VAL 21 1HG2 VAL 21 3.330 -5.567 6.201 162 2HG2 VAL 21 2HG2 VAL 21 2.818 -7.190 5.734 163 3HG2 VAL 21 3HG2 VAL 21 2.519 -5.826 4.656 164 H GLU 22 H GLU 22 -1.054 -3.222 5.605 165 HA GLU 22 HA GLU 22 -2.879 -4.080 7.703 166 1HB GLU 22 1HB GLU 22 -2.083 -1.224 7.227 167 2HB GLU 22 2HB GLU 22 -3.679 -1.615 7.852 168 1HG GLU 22 1HG GLU 22 -1.064 -2.393 9.124 169 2HG GLU 22 2HG GLU 22 -2.100 -1.059 9.630 170 H VAL 23 H VAL 23 -3.212 -5.148 5.421 171 HA VAL 23 HA VAL 23 -5.492 -3.754 4.234 172 HB VAL 23 HB VAL 23 -4.665 -4.614 1.956 173 1HG1 VAL 23 1HG1 VAL 23 -4.870 -2.254 2.515 174 2HG1 VAL 23 2HG1 VAL 23 -3.289 -2.288 3.294 175 3HG1 VAL 23 3HG1 VAL 23 -3.419 -2.540 1.554 176 1HG2 VAL 23 1HG2 VAL 23 -2.122 -4.685 3.562 177 2HG2 VAL 23 2HG2 VAL 23 -2.829 -5.970 2.583 178 3HG2 VAL 23 3HG2 VAL 23 -2.142 -4.545 1.804 179 H ASN 24 H ASN 24 -7.128 -5.074 4.504 180 HA ASN 24 HA ASN 24 -6.706 -7.946 4.019 181 1HB ASN 24 1HB ASN 24 -8.774 -6.787 5.883 182 2HB ASN 24 2HB ASN 24 -8.330 -8.479 5.686 183 1HD2 ASN 24 2HD2 ASN 24 -6.680 -9.294 6.838 184 2HD2 ASN 24 1HD2 ASN 24 -5.713 -8.383 7.943 185 H VAL 25 H VAL 25 -7.350 -8.017 1.953 186 HA VAL 25 HA VAL 25 -9.227 -6.686 0.548 187 HB VAL 25 HB VAL 25 -8.805 -9.673 0.391 188 1HG1 VAL 25 1HG1 VAL 25 -10.835 -8.790 -0.778 189 2HG1 VAL 25 2HG1 VAL 25 -9.761 -7.805 -1.769 190 3HG1 VAL 25 3HG1 VAL 25 -9.655 -9.564 -1.835 191 1HG2 VAL 25 1HG2 VAL 25 -7.036 -7.516 -0.126 192 2HG2 VAL 25 2HG2 VAL 25 -6.778 -9.238 -0.402 193 3HG2 VAL 25 3HG2 VAL 25 -7.481 -8.237 -1.672 194 H GLY 26 H GLY 26 -11.277 -6.193 0.924 195 1HA GLY 26 1HA GLY 26 -13.000 -8.242 2.173 196 2HA GLY 26 2HA GLY 26 -13.563 -7.106 0.957 197 H ASP 27 H ASP 27 -11.722 -5.095 2.500 198 HA ASP 27 HA ASP 27 -13.707 -4.491 4.594 199 1HB ASP 27 1HB ASP 27 -10.796 -4.654 4.705 200 2HB ASP 27 2HB ASP 27 -11.405 -3.114 5.302 201 H THR 28 H THR 28 -14.156 -2.264 4.989 202 HA THR 28 HA THR 28 -14.332 -0.715 2.610 203 HB THR 28 HB THR 28 -14.781 0.327 5.403 204 HG1 THR 28 HG1 THR 28 -16.070 -1.363 5.507 205 1HG2 THR 28 1HG2 THR 28 -15.345 1.320 2.771 206 2HG2 THR 28 2HG2 THR 28 -16.835 1.100 3.687 207 3HG2 THR 28 3HG2 THR 28 -15.542 2.106 4.338 208 H ILE 29 H ILE 29 -13.315 1.213 2.067 209 HA ILE 29 HA ILE 29 -11.023 2.019 3.705 210 HB ILE 29 HB ILE 29 -9.659 2.308 1.635 211 1HG1 ILE 29 1HG1 ILE 29 -11.318 0.338 0.179 212 2HG1 ILE 29 2HG1 ILE 29 -11.985 1.962 0.289 213 1HG2 ILE 29 1HG2 ILE 29 -10.426 -0.212 2.897 214 2HG2 ILE 29 2HG2 ILE 29 -9.678 -0.403 1.312 215 3HG2 ILE 29 3HG2 ILE 29 -8.827 0.465 2.590 216 1HD1 ILE 29 1HD1 ILE 29 -9.212 1.391 -0.706 217 2HD1 ILE 29 2HD1 ILE 29 -10.626 1.487 -1.760 218 3HD1 ILE 29 3HD1 ILE 29 -10.120 2.896 -0.829 219 H ALA 30 H ALA 30 -10.272 4.166 3.324 220 HA ALA 30 HA ALA 30 -12.112 5.884 1.812 221 1HB ALA 30 1HB ALA 30 -11.099 6.644 4.540 222 2HB ALA 30 2HB ALA 30 -12.356 7.426 3.583 223 3HB ALA 30 3HB ALA 30 -12.646 5.837 4.289 224 H VAL 31 H VAL 31 -11.064 8.298 2.141 225 HA VAL 31 HA VAL 31 -8.444 8.034 0.898 226 HB VAL 31 HB VAL 31 -10.013 10.579 1.268 227 1HG1 VAL 31 1HG1 VAL 31 -7.660 9.736 -0.366 228 2HG1 VAL 31 2HG1 VAL 31 -8.716 11.022 -0.950 229 3HG1 VAL 31 3HG1 VAL 31 -7.893 11.193 0.600 230 1HG2 VAL 31 1HG2 VAL 31 -10.845 8.344 -0.191 231 2HG2 VAL 31 2HG2 VAL 31 -11.475 9.989 -0.303 232 3HG2 VAL 31 3HG2 VAL 31 -10.184 9.464 -1.383 233 H ASP 32 H ASP 32 -8.256 7.383 3.518 234 HA ASP 32 HA ASP 32 -6.200 8.942 4.484 235 1HB ASP 32 1HB ASP 32 -7.478 9.992 6.487 236 2HB ASP 32 2HB ASP 32 -7.525 10.811 4.929 237 H ASP 33 H ASP 33 -6.002 6.471 4.546 238 HA ASP 33 HA ASP 33 -6.243 5.672 7.318 239 1HB ASP 33 1HB ASP 33 -7.162 3.356 6.345 240 2HB ASP 33 2HB ASP 33 -8.236 4.639 6.890 241 H THR 34 H THR 34 -4.186 5.196 7.709 242 HA THR 34 HA THR 34 -2.207 4.538 5.956 243 HB THR 34 HB THR 34 -1.395 3.134 8.101 244 HG1 THR 34 HG1 THR 34 -3.144 3.412 9.376 245 1HG2 THR 34 1HG2 THR 34 -0.224 5.042 7.141 246 2HG2 THR 34 2HG2 THR 34 -1.382 6.129 7.911 247 3HG2 THR 34 3HG2 THR 34 -0.311 5.138 8.901 248 H LEU 35 H LEU 35 -1.908 2.962 4.590 249 HA LEU 35 HA LEU 35 -3.269 0.409 4.995 250 1HB LEU 35 1HB LEU 35 -1.829 1.584 2.616 251 2HB LEU 35 2HB LEU 35 -2.484 -0.042 2.646 252 HG LEU 35 HG LEU 35 -3.991 2.562 2.711 253 1HD1 LEU 35 1HD1 LEU 35 -3.986 0.177 0.872 254 2HD1 LEU 35 2HD1 LEU 35 -5.149 1.500 0.781 255 3HD1 LEU 35 3HD1 LEU 35 -3.435 1.812 0.510 256 1HD2 LEU 35 1HD2 LEU 35 -4.768 -0.088 3.750 257 2HD2 LEU 35 2HD2 LEU 35 -5.357 1.519 4.176 258 3HD2 LEU 35 3HD2 LEU 35 -5.948 0.722 2.719 259 H ILE 36 H ILE 36 -0.061 1.804 4.589 260 HA ILE 36 HA ILE 36 1.130 -0.344 6.067 261 HB ILE 36 HB ILE 36 2.825 -0.911 4.289 262 1HG1 ILE 36 1HG1 ILE 36 2.509 -0.455 2.045 263 2HG1 ILE 36 2HG1 ILE 36 0.787 -0.144 2.234 264 1HG2 ILE 36 1HG2 ILE 36 0.634 -2.150 5.016 265 2HG2 ILE 36 2HG2 ILE 36 0.177 -1.834 3.344 266 3HG2 ILE 36 3HG2 ILE 36 1.642 -2.753 3.701 267 1HD1 ILE 36 1HD1 ILE 36 2.976 1.694 3.173 268 2HD1 ILE 36 2HD1 ILE 36 2.109 1.851 1.644 269 3HD1 ILE 36 3HD1 ILE 36 1.244 2.022 3.171 270 H THR 37 H THR 37 3.714 -0.063 5.726 271 HA THR 37 HA THR 37 4.388 2.765 5.591 272 HB THR 37 HB THR 37 4.927 1.018 7.998 273 HG1 THR 37 HG1 THR 37 3.246 1.985 8.743 274 1HG2 THR 37 1HG2 THR 37 6.696 2.849 7.111 275 2HG2 THR 37 2HG2 THR 37 5.650 3.856 8.111 276 3HG2 THR 37 3HG2 THR 37 6.447 2.447 8.811 277 H LEU 38 H LEU 38 5.876 2.756 4.048 278 HA LEU 38 HA LEU 38 7.713 0.510 3.794 279 1HB LEU 38 1HB LEU 38 6.351 1.714 1.909 280 2HB LEU 38 2HB LEU 38 7.678 2.856 1.957 281 HG LEU 38 HG LEU 38 9.104 0.611 1.741 282 1HD1 LEU 38 1HD1 LEU 38 7.004 -0.748 1.765 283 2HD1 LEU 38 2HD1 LEU 38 6.590 -0.022 0.213 284 3HD1 LEU 38 3HD1 LEU 38 8.041 -1.015 0.363 285 1HD2 LEU 38 1HD2 LEU 38 8.024 2.591 -0.110 286 2HD2 LEU 38 2HD2 LEU 38 9.665 1.963 0.049 287 3HD2 LEU 38 3HD2 LEU 38 8.469 1.072 -0.889 288 H GLU 39 H GLU 39 9.992 0.830 3.503 289 HA GLU 39 HA GLU 39 11.242 3.328 4.054 290 1HB GLU 39 1HB GLU 39 10.556 2.831 6.338 291 2HB GLU 39 2HB GLU 39 11.295 1.239 6.239 292 1HG GLU 39 1HG GLU 39 13.474 2.530 5.754 293 2HG GLU 39 2HG GLU 39 12.609 3.916 6.416 294 H THR 40 H THR 40 13.427 3.298 3.601 295 HA THR 40 HA THR 40 14.415 0.777 2.463 296 HB THR 40 HB THR 40 15.698 2.023 0.955 297 HG1 THR 40 HG1 THR 40 16.012 4.312 1.276 298 1HG2 THR 40 1HG2 THR 40 13.002 2.660 1.134 299 2HG2 THR 40 2HG2 THR 40 13.826 4.206 0.930 300 3HG2 THR 40 3HG2 THR 40 14.070 2.916 -0.247 301 H ASP 41 H ASP 41 15.722 3.654 4.087 302 HA ASP 41 HA ASP 41 17.011 2.227 6.142 303 1HB ASP 41 1HB ASP 41 19.382 2.634 5.393 304 2HB ASP 41 2HB ASP 41 18.526 1.388 4.491 305 H LYS 42 H LYS 42 17.004 5.091 4.086 306 HA LYS 42 HA LYS 42 17.474 6.720 6.496 307 1HB LYS 42 1HB LYS 42 19.023 6.621 4.125 308 2HB LYS 42 2HB LYS 42 18.183 8.165 4.125 309 1HG LYS 42 1HG LYS 42 20.182 8.620 5.211 310 2HG LYS 42 2HG LYS 42 19.032 8.405 6.533 311 1HD LYS 42 1HD LYS 42 20.304 6.790 7.377 312 2HD LYS 42 2HD LYS 42 20.116 5.860 5.889 313 1HE LYS 42 1HE LYS 42 22.444 6.133 6.212 314 2HE LYS 42 2HE LYS 42 21.988 7.250 4.926 315 1HZ LYS 42 1HZ LYS 42 21.873 8.367 7.588 316 2HZ LYS 42 2HZ LYS 42 23.426 7.921 7.089 317 3HZ LYS 42 3HZ LYS 42 22.523 9.016 6.168 318 H ALA 43 H ALA 43 14.933 5.868 5.504 319 HA ALA 43 HA ALA 43 13.485 8.237 5.623 320 1HB ALA 43 1HB ALA 43 14.376 7.510 2.917 321 2HB ALA 43 2HB ALA 43 12.661 7.894 3.069 322 3HB ALA 43 3HB ALA 43 13.876 9.070 3.570 323 H THR 44 H THR 44 11.455 7.744 6.180 324 HA THR 44 HA THR 44 10.451 5.057 5.502 325 HB THR 44 HB THR 44 9.189 5.139 7.638 326 HG1 THR 44 HG1 THR 44 9.457 7.572 7.674 327 1HG2 THR 44 1HG2 THR 44 12.167 5.305 7.702 328 2HG2 THR 44 2HG2 THR 44 11.243 5.141 9.195 329 3HG2 THR 44 3HG2 THR 44 11.115 3.910 7.940 330 H MET 45 H MET 45 8.808 5.145 4.123 331 HA MET 45 HA MET 45 6.911 7.389 4.362 332 1HB MET 45 1HB MET 45 8.552 7.024 2.236 333 2HB MET 45 2HB MET 45 7.149 6.100 1.718 334 1HG MET 45 1HG MET 45 7.259 9.010 2.463 335 2HG MET 45 2HG MET 45 6.933 8.315 0.878 336 1HE MET 45 1HE MET 45 5.761 10.295 3.121 337 2HE MET 45 2HE MET 45 4.006 10.222 2.967 338 3HE MET 45 3HE MET 45 4.805 9.425 4.321 339 H ASP 46 H ASP 46 4.857 6.854 4.673 340 HA ASP 46 HA ASP 46 4.058 4.058 4.204 341 1HB ASP 46 1HB ASP 46 2.240 4.651 5.943 342 2HB ASP 46 2HB ASP 46 3.883 4.390 6.521 343 H VAL 47 H VAL 47 1.533 3.918 4.015 344 HA VAL 47 HA VAL 47 0.682 6.025 2.135 345 HB VAL 47 HB VAL 47 0.100 3.065 1.996 346 1HG1 VAL 47 1HG1 VAL 47 -1.344 5.348 0.901 347 2HG1 VAL 47 2HG1 VAL 47 -0.837 4.196 -0.336 348 3HG1 VAL 47 3HG1 VAL 47 -1.826 3.657 1.021 349 1HG2 VAL 47 1HG2 VAL 47 2.331 3.826 1.197 350 2HG2 VAL 47 2HG2 VAL 47 1.332 3.101 -0.063 351 3HG2 VAL 47 3HG2 VAL 47 1.511 4.854 0.022 352 HA PRO 48 HA PRO 48 -2.694 6.182 5.115 353 1HB PRO 48 1HB PRO 48 -3.513 8.654 4.572 354 2HB PRO 48 2HB PRO 48 -1.973 8.372 5.395 355 1HG PRO 48 1HG PRO 48 -2.498 9.084 2.545 356 2HG PRO 48 2HG PRO 48 -1.188 9.616 3.612 357 1HD PRO 48 1HD PRO 48 -1.023 7.576 1.705 358 2HD PRO 48 2HD PRO 48 0.120 7.853 3.032 359 H ALA 49 H ALA 49 -3.021 4.854 2.514 360 HA ALA 49 HA ALA 49 -4.604 4.308 0.962 361 1HB ALA 49 1HB ALA 49 -6.984 4.401 1.972 362 2HB ALA 49 2HB ALA 49 -5.787 3.321 2.687 363 3HB ALA 49 3HB ALA 49 -6.152 4.867 3.454 364 H GLU 50 H GLU 50 -4.357 5.852 -0.619 365 HA GLU 50 HA GLU 50 -5.849 8.337 -0.388 366 1HB GLU 50 1HB GLU 50 -3.397 7.764 -1.486 367 2HB GLU 50 2HB GLU 50 -4.433 7.848 -2.903 368 1HG GLU 50 1HG GLU 50 -4.283 10.003 -0.812 369 2HG GLU 50 2HG GLU 50 -3.309 9.985 -2.281 370 H VAL 51 H VAL 51 -7.762 6.756 -0.386 371 HA VAL 51 HA VAL 51 -9.413 7.202 -2.491 372 HB VAL 51 HB VAL 51 -8.127 6.098 -4.104 373 1HG1 VAL 51 1HG1 VAL 51 -6.974 4.779 -1.951 374 2HG1 VAL 51 2HG1 VAL 51 -7.694 3.493 -2.925 375 3HG1 VAL 51 3HG1 VAL 51 -6.542 4.613 -3.651 376 1HG2 VAL 51 1HG2 VAL 51 -10.543 5.280 -3.910 377 2HG2 VAL 51 2HG2 VAL 51 -9.433 4.312 -4.881 378 3HG2 VAL 51 3HG2 VAL 51 -9.857 3.795 -3.249 379 H ALA 52 H ALA 52 -11.426 6.186 -2.260 380 HA ALA 52 HA ALA 52 -11.762 4.746 0.266 381 1HB ALA 52 1HB ALA 52 -13.118 6.848 -0.560 382 2HB ALA 52 2HB ALA 52 -13.910 5.559 0.347 383 3HB ALA 52 3HB ALA 52 -14.066 5.624 -1.410 384 H GLY 53 H GLY 53 -14.100 3.391 -0.162 385 1HA GLY 53 1HA GLY 53 -13.629 1.654 -2.482 386 2HA GLY 53 2HA GLY 53 -15.133 1.774 -1.592 387 H VAL 54 H VAL 54 -13.480 -0.544 -2.370 388 HA VAL 54 HA VAL 54 -12.713 -1.624 0.249 389 HB VAL 54 HB VAL 54 -14.602 -2.989 -1.679 390 1HG1 VAL 54 1HG1 VAL 54 -12.977 -4.493 -0.508 391 2HG1 VAL 54 2HG1 VAL 54 -13.671 -3.955 1.021 392 3HG1 VAL 54 3HG1 VAL 54 -14.671 -4.821 -0.145 393 1HG2 VAL 54 1HG2 VAL 54 -15.055 -1.843 1.075 394 2HG2 VAL 54 2HG2 VAL 54 -15.740 -1.261 -0.441 395 3HG2 VAL 54 3HG2 VAL 54 -16.217 -2.836 0.194 396 H VAL 55 H VAL 55 -10.956 -2.951 0.172 397 HA VAL 55 HA VAL 55 -9.434 -3.063 -2.214 398 HB VAL 55 HB VAL 55 -9.028 -4.663 0.314 399 1HG1 VAL 55 1HG1 VAL 55 -7.849 -5.552 -1.682 400 2HG1 VAL 55 2HG1 VAL 55 -7.064 -3.984 -1.880 401 3HG1 VAL 55 3HG1 VAL 55 -6.748 -4.952 -0.441 402 1HG2 VAL 55 1HG2 VAL 55 -9.061 -2.048 0.350 403 2HG2 VAL 55 2HG2 VAL 55 -7.779 -2.929 1.180 404 3HG2 VAL 55 3HG2 VAL 55 -7.474 -2.214 -0.403 405 H LYS 56 H LYS 56 -8.874 -4.768 -3.508 406 HA LYS 56 HA LYS 56 -10.629 -7.134 -3.371 407 1HB LYS 56 1HB LYS 56 -9.508 -6.764 -5.994 408 2HB LYS 56 2HB LYS 56 -11.198 -6.873 -5.524 409 1HG LYS 56 1HG LYS 56 -9.746 -4.293 -5.164 410 2HG LYS 56 2HG LYS 56 -10.297 -4.771 -6.769 411 1HD LYS 56 1HD LYS 56 -12.040 -4.560 -4.314 412 2HD LYS 56 2HD LYS 56 -11.942 -3.359 -5.604 413 1HE LYS 56 1HE LYS 56 -13.607 -4.463 -6.591 414 2HE LYS 56 2HE LYS 56 -12.429 -5.726 -6.945 415 1HZ LYS 56 1HZ LYS 56 -13.522 -5.900 -4.294 416 2HZ LYS 56 2HZ LYS 56 -14.695 -6.054 -5.503 417 3HZ LYS 56 3HZ LYS 56 -13.362 -7.097 -5.477 418 H GLU 57 H GLU 57 -7.541 -5.892 -4.568 419 HA GLU 57 HA GLU 57 -6.409 -8.527 -4.038 420 1HB GLU 57 1HB GLU 57 -6.035 -6.667 -6.323 421 2HB GLU 57 2HB GLU 57 -4.643 -7.610 -5.805 422 1HG GLU 57 1HG GLU 57 -5.456 -9.507 -6.659 423 2HG GLU 57 2HG GLU 57 -7.094 -9.174 -6.096 424 H VAL 58 H VAL 58 -4.008 -8.471 -3.660 425 HA VAL 58 HA VAL 58 -2.947 -6.019 -2.521 426 HB VAL 58 HB VAL 58 -4.141 -6.881 -0.605 427 1HG1 VAL 58 1HG1 VAL 58 -3.473 -9.395 -1.690 428 2HG1 VAL 58 2HG1 VAL 58 -2.745 -9.314 -0.086 429 3HG1 VAL 58 3HG1 VAL 58 -4.477 -9.047 -0.282 430 1HG2 VAL 58 1HG2 VAL 58 -1.311 -6.551 -0.708 431 2HG2 VAL 58 2HG2 VAL 58 -2.423 -6.172 0.608 432 3HG2 VAL 58 3HG2 VAL 58 -1.699 -7.777 0.500 433 H LYS 59 H LYS 59 -0.765 -5.951 -2.605 434 HA LYS 59 HA LYS 59 0.720 -8.414 -3.153 435 1HB LYS 59 1HB LYS 59 1.354 -5.988 -4.776 436 2HB LYS 59 2HB LYS 59 1.653 -7.681 -5.142 437 1HG LYS 59 1HG LYS 59 -1.169 -6.732 -5.013 438 2HG LYS 59 2HG LYS 59 -0.190 -6.307 -6.415 439 1HD LYS 59 1HD LYS 59 0.223 -8.614 -6.907 440 2HD LYS 59 2HD LYS 59 -0.541 -9.121 -5.398 441 1HE LYS 59 1HE LYS 59 -2.623 -8.910 -6.233 442 2HE LYS 59 2HE LYS 59 -2.220 -7.457 -7.147 443 1HZ LYS 59 1HZ LYS 59 -0.859 -9.594 -8.312 444 2HZ LYS 59 2HZ LYS 59 -2.456 -10.098 -8.074 445 3HZ LYS 59 3HZ LYS 59 -2.137 -8.695 -8.963 446 H VAL 60 H VAL 60 0.929 -7.524 -0.763 447 HA VAL 60 HA VAL 60 3.589 -6.438 -0.598 448 HB VAL 60 HB VAL 60 2.826 -4.301 -0.530 449 1HG1 VAL 60 1HG1 VAL 60 0.510 -4.885 -1.033 450 2HG1 VAL 60 2HG1 VAL 60 0.219 -5.214 0.676 451 3HG1 VAL 60 3HG1 VAL 60 0.603 -3.576 0.147 452 1HG2 VAL 60 1HG2 VAL 60 3.550 -5.104 1.895 453 2HG2 VAL 60 2HG2 VAL 60 3.016 -3.456 1.574 454 3HG2 VAL 60 3HG2 VAL 60 1.894 -4.626 2.269 455 H LYS 61 H LYS 61 4.611 -6.923 1.294 456 HA LYS 61 HA LYS 61 3.110 -8.120 3.488 457 1HB LYS 61 1HB LYS 61 5.257 -9.586 1.944 458 2HB LYS 61 2HB LYS 61 4.650 -10.101 3.510 459 1HG LYS 61 1HG LYS 61 2.676 -9.659 1.341 460 2HG LYS 61 2HG LYS 61 3.711 -11.084 1.248 461 1HD LYS 61 1HD LYS 61 2.663 -10.741 3.914 462 2HD LYS 61 2HD LYS 61 1.358 -10.796 2.726 463 1HE LYS 61 1HE LYS 61 3.362 -12.798 2.169 464 2HE LYS 61 2HE LYS 61 2.747 -12.959 3.814 465 1HZ LYS 61 1HZ LYS 61 0.833 -12.591 1.620 466 2HZ LYS 61 2HZ LYS 61 1.546 -14.112 1.826 467 3HZ LYS 61 3HZ LYS 61 0.647 -13.422 3.082 468 H VAL 62 H VAL 62 5.040 -9.041 5.081 469 HA VAL 62 HA VAL 62 6.624 -6.641 5.635 470 HB VAL 62 HB VAL 62 6.082 -9.027 7.409 471 1HG1 VAL 62 1HG1 VAL 62 8.181 -7.883 7.937 472 2HG1 VAL 62 2HG1 VAL 62 7.314 -6.351 8.055 473 3HG1 VAL 62 3HG1 VAL 62 6.978 -7.646 9.205 474 1HG2 VAL 62 1HG2 VAL 62 4.791 -6.313 7.246 475 2HG2 VAL 62 2HG2 VAL 62 4.024 -7.893 7.084 476 3HG2 VAL 62 3HG2 VAL 62 4.644 -7.371 8.650 477 H GLY 63 H GLY 63 8.381 -6.883 4.258 478 1HA GLY 63 1HA GLY 63 10.146 -9.164 4.900 479 2HA GLY 63 2HA GLY 63 10.729 -7.547 4.534 480 H ASP 64 H ASP 64 8.937 -7.093 2.322 481 HA ASP 64 HA ASP 64 10.066 -8.995 0.374 482 1HB ASP 64 1HB ASP 64 8.071 -8.392 -1.059 483 2HB ASP 64 2HB ASP 64 7.703 -9.323 0.390 484 H LYS 65 H LYS 65 10.059 -7.976 -1.913 485 HA LYS 65 HA LYS 65 11.454 -5.418 -1.687 486 1HB LYS 65 1HB LYS 65 11.678 -7.759 -3.407 487 2HB LYS 65 2HB LYS 65 11.674 -6.255 -4.320 488 1HG LYS 65 1HG LYS 65 13.863 -6.216 -3.906 489 2HG LYS 65 2HG LYS 65 13.402 -5.678 -2.289 490 1HD LYS 65 1HD LYS 65 13.168 -8.462 -2.235 491 2HD LYS 65 2HD LYS 65 14.664 -8.137 -3.115 492 1HE LYS 65 1HE LYS 65 15.287 -6.575 -1.233 493 2HE LYS 65 2HE LYS 65 13.909 -7.225 -0.347 494 1HZ LYS 65 1HZ LYS 65 14.988 -9.481 -0.818 495 2HZ LYS 65 2HZ LYS 65 16.388 -8.598 -1.165 496 3HZ LYS 65 3HZ LYS 65 15.687 -8.501 0.371 497 H ILE 66 H ILE 66 10.501 -3.580 -2.246 498 HA ILE 66 HA ILE 66 8.325 -3.671 -4.213 499 HB ILE 66 HB ILE 66 7.967 -3.173 -1.503 500 1HG1 ILE 66 1HG1 ILE 66 5.659 -2.604 -2.192 501 2HG1 ILE 66 2HG1 ILE 66 6.218 -2.475 -3.859 502 1HG2 ILE 66 1HG2 ILE 66 7.927 -0.549 -2.972 503 2HG2 ILE 66 2HG2 ILE 66 7.031 -0.839 -1.484 504 3HG2 ILE 66 3HG2 ILE 66 8.788 -0.958 -1.492 505 1HD1 ILE 66 1HD1 ILE 66 7.122 -4.953 -3.002 506 2HD1 ILE 66 2HD1 ILE 66 5.492 -4.807 -2.341 507 3HD1 ILE 66 3HD1 ILE 66 5.760 -4.627 -4.075 508 H SER 67 H SER 67 7.888 -1.568 -5.263 509 HA SER 67 HA SER 67 10.212 0.225 -5.274 510 1HB SER 67 1HB SER 67 10.382 0.217 -7.650 511 2HB SER 67 2HB SER 67 10.312 -1.475 -7.160 512 HG SER 67 HG SER 67 8.827 -1.404 -8.711 513 H GLU 68 H GLU 68 9.674 2.296 -5.157 514 HA GLU 68 HA GLU 68 7.242 3.354 -4.654 515 1HB GLU 68 1HB GLU 68 9.371 4.741 -6.292 516 2HB GLU 68 2HB GLU 68 8.101 5.523 -5.363 517 1HG GLU 68 1HG GLU 68 9.062 4.666 -3.300 518 2HG GLU 68 2HG GLU 68 10.318 3.839 -4.218 519 H GLY 69 H GLY 69 5.372 3.251 -5.729 520 1HA GLY 69 1HA GLY 69 5.296 4.048 -8.522 521 2HA GLY 69 2HA GLY 69 3.913 3.809 -7.469 522 H GLY 70 H GLY 70 3.698 1.365 -6.748 523 1HA GLY 70 1HA GLY 70 4.376 -0.903 -7.702 524 2HA GLY 70 2HA GLY 70 3.901 -0.198 -9.242 525 H LEU 71 H LEU 71 2.710 -2.517 -8.373 526 HA LEU 71 HA LEU 71 -0.013 -1.565 -7.823 527 1HB LEU 71 1HB LEU 71 0.517 -2.853 -9.957 528 2HB LEU 71 2HB LEU 71 0.735 -4.261 -8.934 529 HG LEU 71 HG LEU 71 -1.544 -4.308 -8.316 530 1HD1 LEU 71 1HD1 LEU 71 -1.477 -1.467 -9.097 531 2HD1 LEU 71 2HD1 LEU 71 -2.968 -2.333 -9.469 532 3HD1 LEU 71 3HD1 LEU 71 -2.374 -2.274 -7.808 533 1HD2 LEU 71 1HD2 LEU 71 -0.758 -4.384 -11.010 534 2HD2 LEU 71 2HD2 LEU 71 -2.161 -5.156 -10.271 535 3HD2 LEU 71 3HD2 LEU 71 -2.307 -3.543 -10.969 536 H ILE 72 H ILE 72 0.104 -1.488 -5.596 537 HA ILE 72 HA ILE 72 0.890 -3.858 -4.131 538 HB ILE 72 HB ILE 72 0.341 -1.021 -3.441 539 1HG1 ILE 72 1HG1 ILE 72 2.309 -2.691 -1.998 540 2HG1 ILE 72 2HG1 ILE 72 2.569 -2.506 -3.730 541 1HG2 ILE 72 1HG2 ILE 72 -0.407 -3.276 -1.658 542 2HG2 ILE 72 2HG2 ILE 72 0.514 -1.957 -0.932 543 3HG2 ILE 72 3HG2 ILE 72 -1.028 -1.626 -1.720 544 1HD1 ILE 72 1HD1 ILE 72 1.951 0.009 -2.439 545 2HD1 ILE 72 2HD1 ILE 72 3.378 -0.773 -1.757 546 3HD1 ILE 72 3HD1 ILE 72 3.301 -0.432 -3.484 547 H VAL 73 H VAL 73 -1.929 -1.788 -3.456 548 HA VAL 73 HA VAL 73 -3.579 -4.230 -3.470 549 HB VAL 73 HB VAL 73 -4.866 -3.385 -1.613 550 1HG1 VAL 73 1HG1 VAL 73 -2.193 -4.197 -1.469 551 2HG1 VAL 73 2HG1 VAL 73 -2.355 -2.879 -0.307 552 3HG1 VAL 73 3HG1 VAL 73 -3.412 -4.286 -0.198 553 1HG2 VAL 73 1HG2 VAL 73 -4.719 -0.999 -2.131 554 2HG2 VAL 73 2HG2 VAL 73 -4.282 -1.320 -0.452 555 3HG2 VAL 73 3HG2 VAL 73 -3.023 -0.996 -1.643 556 H VAL 74 H VAL 74 -5.478 -4.178 -4.495 557 HA VAL 74 HA VAL 74 -6.230 -1.681 -5.861 558 HB VAL 74 HB VAL 74 -7.117 -4.505 -6.463 559 1HG1 VAL 74 1HG1 VAL 74 -8.528 -2.456 -7.163 560 2HG1 VAL 74 2HG1 VAL 74 -7.250 -2.184 -8.347 561 3HG1 VAL 74 3HG1 VAL 74 -8.164 -3.692 -8.368 562 1HG2 VAL 74 1HG2 VAL 74 -4.639 -4.009 -6.760 563 2HG2 VAL 74 2HG2 VAL 74 -5.500 -4.637 -8.164 564 3HG2 VAL 74 3HG2 VAL 74 -5.128 -2.917 -8.056 565 H VAL 75 H VAL 75 -8.333 -0.885 -5.724 566 HA VAL 75 HA VAL 75 -10.095 -2.236 -3.806 567 HB VAL 75 HB VAL 75 -10.810 0.063 -3.070 568 1HG1 VAL 75 1HG1 VAL 75 -8.422 -1.427 -2.388 569 2HG1 VAL 75 2HG1 VAL 75 -8.274 0.282 -1.986 570 3HG1 VAL 75 3HG1 VAL 75 -9.612 -0.663 -1.334 571 1HG2 VAL 75 1HG2 VAL 75 -8.992 0.821 -5.116 572 2HG2 VAL 75 2HG2 VAL 75 -10.004 1.852 -4.104 573 3HG2 VAL 75 3HG2 VAL 75 -8.378 1.417 -3.575 574 H GLU 76 H GLU 76 -12.358 -1.448 -3.897 575 HA GLU 76 HA GLU 76 -13.254 -1.414 -6.647 576 1HB GLU 76 1HB GLU 76 -14.447 -2.872 -5.185 577 2HB GLU 76 2HB GLU 76 -14.683 -1.602 -3.992 578 1HG GLU 76 1HG GLU 76 -16.470 -0.745 -5.059 579 2HG GLU 76 2HG GLU 76 -15.811 -1.076 -6.661 580 H ALA 77 H ALA 77 -12.895 0.796 -4.011 581 HA ALA 77 HA ALA 77 -13.221 3.019 -3.803 582 1HB ALA 77 1HB ALA 77 -13.375 4.297 -6.035 583 2HB ALA 77 2HB ALA 77 -13.022 2.724 -6.754 584 3HB ALA 77 3HB ALA 77 -11.885 3.447 -5.613 585 H GLU 78 H GLU 78 -14.950 3.784 -2.894 586 HA GLU 78 HA GLU 78 -17.142 4.170 -2.412 587 1HB GLU 78 1HB GLU 78 -16.343 5.641 -4.595 588 2HB GLU 78 2HB GLU 78 -17.855 4.927 -5.145 589 1HG GLU 78 1HG GLU 78 -18.866 5.776 -2.981 590 2HG GLU 78 2HG GLU 78 -17.389 6.717 -2.786 591 H GLY 79 H GLY 79 -17.038 1.607 -2.521 592 1HA GLY 79 1HA GLY 79 -18.062 -0.372 -3.115 593 2HA GLY 79 2HA GLY 79 -18.631 0.407 -4.584 594 H THR 80 H THR 80 -20.757 0.609 -4.742 595 HA THR 80 HA THR 80 -22.325 1.073 -2.305 596 HB THR 80 HB THR 80 -22.867 2.765 -3.801 597 HG1 THR 80 HG1 THR 80 -24.874 2.245 -3.523 598 1HG2 THR 80 1HG2 THR 80 -22.804 0.732 -6.013 599 2HG2 THR 80 2HG2 THR 80 -23.379 2.389 -6.197 600 3HG2 THR 80 3HG2 THR 80 -21.698 2.082 -5.762 601 H ALA 81 H ALA 81 -23.773 -0.370 -1.577 602 HA ALA 81 HA ALA 81 -24.937 -2.311 -1.342 603 1HB ALA 81 1HB ALA 81 -25.169 -2.896 -4.207 604 2HB ALA 81 2HB ALA 81 -25.714 -1.285 -3.737 605 3HB ALA 81 3HB ALA 81 -26.421 -2.710 -2.978 No H/Q in entry = 605 Start of MODEL 7 1 H1 ALA 1 H1 ALA 1 -13.263 6.708 -9.112 2 H2 ALA 1 H2 ALA 1 -12.170 6.828 -10.430 3 H3 ALA 1 H3 ALA 1 -13.857 6.967 -10.701 4 HA ALA 1 HA ALA 1 -14.236 4.754 -10.212 5 1HB ALA 1 1HB ALA 1 -13.313 3.820 -12.075 6 2HB ALA 1 2HB ALA 1 -11.710 4.480 -11.751 7 3HB ALA 1 3HB ALA 1 -12.977 5.519 -12.406 8 H LEU 2 H LEU 2 -12.379 2.663 -10.450 9 HA LEU 2 HA LEU 2 -11.718 2.221 -7.748 10 1HB LEU 2 1HB LEU 2 -11.001 0.815 -10.303 11 2HB LEU 2 2HB LEU 2 -10.354 0.284 -8.762 12 HG LEU 2 HG LEU 2 -13.043 0.436 -8.233 13 1HD1 LEU 2 1HD1 LEU 2 -12.914 0.575 -10.984 14 2HD1 LEU 2 2HD1 LEU 2 -13.205 -1.137 -10.668 15 3HD1 LEU 2 3HD1 LEU 2 -14.311 0.079 -10.027 16 1HD2 LEU 2 1HD2 LEU 2 -11.255 -1.824 -9.071 17 2HD2 LEU 2 2HD2 LEU 2 -11.791 -1.379 -7.450 18 3HD2 LEU 2 3HD2 LEU 2 -12.931 -2.092 -8.592 19 H VAL 3 H VAL 3 -9.415 1.457 -7.147 20 HA VAL 3 HA VAL 3 -7.370 3.203 -8.309 21 HB VAL 3 HB VAL 3 -8.222 3.168 -5.423 22 1HG1 VAL 3 1HG1 VAL 3 -5.810 2.757 -5.412 23 2HG1 VAL 3 2HG1 VAL 3 -5.565 4.162 -6.455 24 3HG1 VAL 3 3HG1 VAL 3 -6.186 4.378 -4.819 25 1HG2 VAL 3 1HG2 VAL 3 -7.991 5.178 -7.596 26 2HG2 VAL 3 2HG2 VAL 3 -9.261 4.950 -6.395 27 3HG2 VAL 3 3HG2 VAL 3 -7.738 5.711 -5.934 28 H GLU 4 H GLU 4 -5.264 2.464 -8.102 29 HA GLU 4 HA GLU 4 -4.948 -0.238 -6.972 30 1HB GLU 4 1HB GLU 4 -3.291 0.631 -9.302 31 2HB GLU 4 2HB GLU 4 -3.782 -0.987 -8.823 32 1HG GLU 4 1HG GLU 4 -5.082 -0.726 -10.662 33 2HG GLU 4 2HG GLU 4 -6.174 -0.074 -9.441 34 H LEU 5 H LEU 5 -3.887 0.229 -5.109 35 HA LEU 5 HA LEU 5 -1.997 2.301 -4.802 36 1HB LEU 5 1HB LEU 5 -2.489 -0.200 -3.192 37 2HB LEU 5 2HB LEU 5 -1.345 1.039 -2.714 38 HG LEU 5 HG LEU 5 -4.336 1.336 -2.973 39 1HD1 LEU 5 1HD1 LEU 5 -2.444 0.945 -0.745 40 2HD1 LEU 5 2HD1 LEU 5 -3.713 2.145 -0.494 41 3HD1 LEU 5 3HD1 LEU 5 -4.139 0.482 -0.897 42 1HD2 LEU 5 1HD2 LEU 5 -2.245 3.421 -2.360 43 2HD2 LEU 5 2HD2 LEU 5 -3.283 3.359 -3.785 44 3HD2 LEU 5 3HD2 LEU 5 -3.986 3.646 -2.193 45 H LYS 6 H LYS 6 0.126 2.418 -5.207 46 HA LYS 6 HA LYS 6 1.544 -0.070 -5.870 47 1HB LYS 6 1HB LYS 6 2.168 2.462 -7.339 48 2HB LYS 6 2HB LYS 6 2.455 0.797 -7.822 49 1HG LYS 6 1HG LYS 6 -0.320 1.038 -7.591 50 2HG LYS 6 2HG LYS 6 0.225 2.506 -8.404 51 1HD LYS 6 1HD LYS 6 1.252 -0.165 -9.277 52 2HD LYS 6 2HD LYS 6 -0.338 0.387 -9.806 53 1HE LYS 6 1HE LYS 6 1.111 2.589 -10.329 54 2HE LYS 6 2HE LYS 6 2.354 1.357 -10.538 55 1HZ LYS 6 1HZ LYS 6 0.247 0.323 -11.880 56 2HZ LYS 6 2HZ LYS 6 0.091 1.976 -12.201 57 3HZ LYS 6 3HZ LYS 6 1.528 1.173 -12.588 58 H VAL 7 H VAL 7 1.855 0.707 -3.401 59 HA VAL 7 HA VAL 7 3.364 1.309 -1.802 60 HB VAL 7 HB VAL 7 5.329 1.355 -4.090 61 1HG1 VAL 7 1HG1 VAL 7 6.194 2.343 -2.034 62 2HG1 VAL 7 2HG1 VAL 7 5.748 0.886 -1.146 63 3HG1 VAL 7 3HG1 VAL 7 6.992 0.812 -2.393 64 1HG2 VAL 7 1HG2 VAL 7 3.872 -0.736 -3.787 65 2HG2 VAL 7 2HG2 VAL 7 5.620 -0.944 -3.881 66 3HG2 VAL 7 3HG2 VAL 7 4.808 -0.998 -2.316 67 HA PRO 8 HA PRO 8 3.731 5.731 -2.163 68 1HB PRO 8 1HB PRO 8 4.451 6.280 0.355 69 2HB PRO 8 2HB PRO 8 2.851 5.629 -0.025 70 1HG PRO 8 1HG PRO 8 5.166 4.299 1.248 71 2HG PRO 8 2HG PRO 8 3.443 3.921 1.377 72 1HD PRO 8 1HD PRO 8 5.414 2.673 -0.283 73 2HD PRO 8 2HD PRO 8 3.687 2.284 -0.164 74 H ASP 9 H ASP 9 5.321 7.500 -1.309 75 HA ASP 9 HA ASP 9 7.802 7.121 -2.599 76 1HB ASP 9 1HB ASP 9 6.410 9.260 -1.186 77 2HB ASP 9 2HB ASP 9 8.148 9.289 -0.898 78 H ILE 10 H ILE 10 9.914 7.717 -1.335 79 HA ILE 10 HA ILE 10 10.101 6.931 1.386 80 HB ILE 10 HB ILE 10 11.709 4.919 0.636 81 1HG1 ILE 10 1HG1 ILE 10 10.537 3.544 -1.056 82 2HG1 ILE 10 2HG1 ILE 10 9.428 4.878 -1.353 83 1HG2 ILE 10 1HG2 ILE 10 9.568 5.141 2.180 84 2HG2 ILE 10 2HG2 ILE 10 8.843 4.194 0.877 85 3HG2 ILE 10 3HG2 ILE 10 10.251 3.576 1.746 86 1HD1 ILE 10 1HD1 ILE 10 11.426 6.251 -2.002 87 2HD1 ILE 10 2HD1 ILE 10 12.371 4.763 -1.936 88 3HD1 ILE 10 3HD1 ILE 10 11.037 4.911 -3.080 89 H GLY 11 H GLY 11 11.056 8.994 -0.493 90 1HA GLY 11 1HA GLY 11 13.396 9.782 0.558 91 2HA GLY 11 2HA GLY 11 13.001 10.088 -1.124 92 H GLY 12 H GLY 12 14.003 8.906 -2.741 93 1HA GLY 12 1HA GLY 12 15.823 6.758 -1.962 94 2HA GLY 12 2HA GLY 12 16.552 8.196 -2.663 95 H HIS 13 H HIS 13 15.098 5.212 -3.289 96 HA HIS 13 HA HIS 13 14.338 5.835 -6.016 97 1HB HIS 13 1HB HIS 13 15.929 3.940 -6.806 98 2HB HIS 13 2HB HIS 13 16.592 5.548 -6.534 99 HD1 HIS 13 HD1 HIS 13 15.874 3.323 -3.620 100 HD2 HIS 13 HD2 HIS 13 19.121 4.502 -5.929 101 HE1 HIS 13 HE1 HIS 13 17.910 2.538 -2.369 102 HE2 HIS 13 HE2 HIS 13 19.864 3.331 -3.746 103 H GLU 14 H GLU 14 14.077 3.476 -7.155 104 HA GLU 14 HA GLU 14 11.884 2.286 -5.819 105 1HB GLU 14 1HB GLU 14 13.434 1.060 -8.093 106 2HB GLU 14 2HB GLU 14 11.743 0.812 -7.683 107 1HG GLU 14 1HG GLU 14 11.323 2.315 -9.267 108 2HG GLU 14 2HG GLU 14 11.843 3.510 -8.080 109 H ASN 15 H ASN 15 12.094 -0.376 -6.179 110 HA ASN 15 HA ASN 15 12.567 -2.210 -4.900 111 1HB ASN 15 1HB ASN 15 15.029 -2.810 -4.956 112 2HB ASN 15 2HB ASN 15 14.276 -2.506 -6.518 113 1HD2 ASN 15 2HD2 ASN 15 14.774 -0.606 -7.634 114 2HD2 ASN 15 1HD2 ASN 15 16.186 0.317 -7.266 115 H VAL 16 H VAL 16 11.873 -1.769 -2.846 116 HA VAL 16 HA VAL 16 13.991 -1.206 -0.912 117 HB VAL 16 HB VAL 16 12.118 0.158 0.373 118 1HG1 VAL 16 1HG1 VAL 16 14.302 0.890 -1.408 119 2HG1 VAL 16 2HG1 VAL 16 13.108 2.172 -1.204 120 3HG1 VAL 16 3HG1 VAL 16 13.906 1.478 0.208 121 1HG2 VAL 16 1HG2 VAL 16 11.338 0.382 -2.509 122 2HG2 VAL 16 2HG2 VAL 16 10.316 0.140 -1.093 123 3HG2 VAL 16 3HG2 VAL 16 11.056 1.711 -1.389 124 H ASP 17 H ASP 17 12.724 -1.336 1.425 125 HA ASP 17 HA ASP 17 11.326 -3.924 1.295 126 1HB ASP 17 1HB ASP 17 13.212 -2.764 3.332 127 2HB ASP 17 2HB ASP 17 12.136 -4.097 3.737 128 H ILE 18 H ILE 18 9.414 -4.218 2.333 129 HA ILE 18 HA ILE 18 7.918 -1.901 3.057 130 HB ILE 18 HB ILE 18 7.279 -4.849 3.194 131 1HG1 ILE 18 1HG1 ILE 18 5.905 -2.835 1.470 132 2HG1 ILE 18 2HG1 ILE 18 7.497 -3.420 0.998 133 1HG2 ILE 18 1HG2 ILE 18 5.504 -2.501 3.846 134 2HG2 ILE 18 2HG2 ILE 18 4.928 -4.148 3.584 135 3HG2 ILE 18 3HG2 ILE 18 6.003 -3.793 4.936 136 1HD1 ILE 18 1HD1 ILE 18 5.769 -5.609 1.711 137 2HD1 ILE 18 2HD1 ILE 18 5.042 -4.601 0.459 138 3HD1 ILE 18 3HD1 ILE 18 6.641 -5.302 0.210 139 H ILE 19 H ILE 19 6.759 -1.712 5.142 140 HA ILE 19 HA ILE 19 8.282 -2.892 7.355 141 HB ILE 19 HB ILE 19 9.350 -0.922 7.589 142 1HG1 ILE 19 1HG1 ILE 19 6.679 -0.183 8.786 143 2HG1 ILE 19 2HG1 ILE 19 8.034 -0.947 9.607 144 1HG2 ILE 19 1HG2 ILE 19 7.900 -0.072 5.471 145 2HG2 ILE 19 2HG2 ILE 19 7.328 1.022 6.722 146 3HG2 ILE 19 3HG2 ILE 19 9.044 0.924 6.356 147 1HD1 ILE 19 1HD1 ILE 19 8.799 1.568 8.420 148 2HD1 ILE 19 2HD1 ILE 19 7.430 1.747 9.517 149 3HD1 ILE 19 3HD1 ILE 19 8.930 1.019 10.091 150 H ALA 20 H ALA 20 5.258 -2.331 6.030 151 HA ALA 20 HA ALA 20 4.005 -3.197 8.492 152 1HB ALA 20 1HB ALA 20 4.117 -0.594 8.321 153 2HB ALA 20 2HB ALA 20 2.767 -0.812 7.203 154 3HB ALA 20 3HB ALA 20 2.638 -1.389 8.866 155 H VAL 21 H VAL 21 1.849 -3.979 8.214 156 HA VAL 21 HA VAL 21 0.850 -4.224 5.489 157 HB VAL 21 HB VAL 21 1.423 -6.659 7.182 158 1HG1 VAL 21 1HG1 VAL 21 0.244 -6.409 4.417 159 2HG1 VAL 21 2HG1 VAL 21 0.663 -7.921 5.220 160 3HG1 VAL 21 3HG1 VAL 21 -0.614 -6.898 5.877 161 1HG2 VAL 21 1HG2 VAL 21 3.458 -5.719 6.209 162 2HG2 VAL 21 2HG2 VAL 21 3.037 -7.252 5.445 163 3HG2 VAL 21 3HG2 VAL 21 2.707 -5.733 4.613 164 H GLU 22 H GLU 22 -1.288 -3.981 5.469 165 HA GLU 22 HA GLU 22 -2.933 -5.045 7.599 166 1HB GLU 22 1HB GLU 22 -2.724 -2.081 7.072 167 2HB GLU 22 2HB GLU 22 -4.081 -2.811 7.918 168 1HG GLU 22 1HG GLU 22 -1.207 -2.996 8.791 169 2HG GLU 22 2HG GLU 22 -2.391 -1.856 9.430 170 H VAL 23 H VAL 23 -2.612 -5.534 4.773 171 HA VAL 23 HA VAL 23 -5.309 -4.788 3.844 172 HB VAL 23 HB VAL 23 -4.289 -5.147 1.499 173 1HG1 VAL 23 1HG1 VAL 23 -4.507 -2.878 3.201 174 2HG1 VAL 23 2HG1 VAL 23 -3.067 -2.690 2.199 175 3HG1 VAL 23 3HG1 VAL 23 -4.638 -2.956 1.443 176 1HG2 VAL 23 1HG2 VAL 23 -1.797 -4.682 3.132 177 2HG2 VAL 23 2HG2 VAL 23 -2.173 -6.089 2.138 178 3HG2 VAL 23 3HG2 VAL 23 -1.885 -4.524 1.378 179 H ASN 24 H ASN 24 -6.629 -6.453 3.564 180 HA ASN 24 HA ASN 24 -5.503 -9.059 2.815 181 1HB ASN 24 1HB ASN 24 -6.084 -8.769 5.330 182 2HB ASN 24 2HB ASN 24 -7.755 -8.884 4.789 183 1HD2 ASN 24 2HD2 ASN 24 -6.964 -10.734 6.500 184 2HD2 ASN 24 1HD2 ASN 24 -6.719 -12.259 5.724 185 H VAL 25 H VAL 25 -7.346 -6.704 1.741 186 HA VAL 25 HA VAL 25 -8.994 -6.523 0.188 187 HB VAL 25 HB VAL 25 -8.619 -9.509 -0.049 188 1HG1 VAL 25 1HG1 VAL 25 -10.803 -8.755 -0.908 189 2HG1 VAL 25 2HG1 VAL 25 -9.974 -7.609 -1.961 190 3HG1 VAL 25 3HG1 VAL 25 -9.745 -9.343 -2.191 191 1HG2 VAL 25 1HG2 VAL 25 -7.144 -7.196 -1.061 192 2HG2 VAL 25 2HG2 VAL 25 -6.640 -8.876 -0.886 193 3HG2 VAL 25 3HG2 VAL 25 -7.570 -8.378 -2.299 194 H GLY 26 H GLY 26 -11.130 -6.237 0.423 195 1HA GLY 26 1HA GLY 26 -12.592 -8.116 2.170 196 2HA GLY 26 2HA GLY 26 -13.330 -7.195 0.868 197 H ASP 27 H ASP 27 -10.992 -5.632 2.869 198 HA ASP 27 HA ASP 27 -13.034 -4.479 4.605 199 1HB ASP 27 1HB ASP 27 -10.357 -5.159 4.989 200 2HB ASP 27 2HB ASP 27 -10.353 -3.398 4.927 201 H THR 28 H THR 28 -13.675 -2.368 4.558 202 HA THR 28 HA THR 28 -13.350 -0.947 2.125 203 HB THR 28 HB THR 28 -15.338 -0.876 3.748 204 HG1 THR 28 HG1 THR 28 -15.861 1.167 3.035 205 1HG2 THR 28 1HG2 THR 28 -13.808 -0.148 5.698 206 2HG2 THR 28 2HG2 THR 28 -13.958 1.459 4.987 207 3HG2 THR 28 3HG2 THR 28 -15.399 0.592 5.520 208 H ILE 29 H ILE 29 -12.575 1.310 1.984 209 HA ILE 29 HA ILE 29 -10.448 1.995 3.871 210 HB ILE 29 HB ILE 29 -8.872 2.464 2.012 211 1HG1 ILE 29 1HG1 ILE 29 -9.918 0.729 0.025 212 2HG1 ILE 29 2HG1 ILE 29 -11.195 1.864 0.444 213 1HG2 ILE 29 1HG2 ILE 29 -9.814 -0.295 2.638 214 2HG2 ILE 29 2HG2 ILE 29 -8.557 -0.071 1.422 215 3HG2 ILE 29 3HG2 ILE 29 -8.303 0.507 3.069 216 1HD1 ILE 29 1HD1 ILE 29 -9.619 3.720 0.031 217 2HD1 ILE 29 2HD1 ILE 29 -8.421 2.542 -0.500 218 3HD1 ILE 29 3HD1 ILE 29 -9.929 2.732 -1.396 219 H ALA 30 H ALA 30 -10.410 4.124 4.285 220 HA ALA 30 HA ALA 30 -12.199 5.858 2.788 221 1HB ALA 30 1HB ALA 30 -10.529 6.640 5.163 222 2HB ALA 30 2HB ALA 30 -12.015 7.385 4.574 223 3HB ALA 30 3HB ALA 30 -12.065 5.788 5.320 224 H VAL 31 H VAL 31 -11.150 8.298 2.870 225 HA VAL 31 HA VAL 31 -8.964 8.120 0.957 226 HB VAL 31 HB VAL 31 -10.372 10.632 1.847 227 1HG1 VAL 31 1HG1 VAL 31 -8.323 9.980 -0.094 228 2HG1 VAL 31 2HG1 VAL 31 -9.701 10.792 -0.837 229 3HG1 VAL 31 3HG1 VAL 31 -8.848 11.552 0.507 230 1HG2 VAL 31 1HG2 VAL 31 -11.303 8.450 0.079 231 2HG2 VAL 31 2HG2 VAL 31 -12.225 9.584 1.066 232 3HG2 VAL 31 3HG2 VAL 31 -11.566 10.100 -0.486 233 H ASP 32 H ASP 32 -8.187 7.451 3.562 234 HA ASP 32 HA ASP 32 -5.850 8.809 3.936 235 1HB ASP 32 1HB ASP 32 -6.524 10.156 6.066 236 2HB ASP 32 2HB ASP 32 -6.782 10.871 4.477 237 H ASP 33 H ASP 33 -5.922 6.342 4.217 238 HA ASP 33 HA ASP 33 -5.841 5.806 7.092 239 1HB ASP 33 1HB ASP 33 -6.871 3.495 6.528 240 2HB ASP 33 2HB ASP 33 -7.947 4.882 6.677 241 H THR 34 H THR 34 -3.862 5.122 7.523 242 HA THR 34 HA THR 34 -1.992 4.304 5.611 243 HB THR 34 HB THR 34 -0.936 3.253 7.809 244 HG1 THR 34 HG1 THR 34 -2.235 3.619 9.416 245 1HG2 THR 34 1HG2 THR 34 -0.098 5.187 6.479 246 2HG2 THR 34 2HG2 THR 34 -1.110 6.226 7.484 247 3HG2 THR 34 3HG2 THR 34 0.191 5.287 8.217 248 H LEU 35 H LEU 35 -1.974 2.561 4.445 249 HA LEU 35 HA LEU 35 -3.290 0.134 5.381 250 1HB LEU 35 1HB LEU 35 -2.105 0.948 2.731 251 2HB LEU 35 2HB LEU 35 -2.664 -0.683 3.051 252 HG LEU 35 HG LEU 35 -4.298 1.838 2.893 253 1HD1 LEU 35 1HD1 LEU 35 -3.627 -0.094 1.027 254 2HD1 LEU 35 2HD1 LEU 35 -5.256 -0.535 1.542 255 3HD1 LEU 35 3HD1 LEU 35 -4.938 1.080 0.906 256 1HD2 LEU 35 1HD2 LEU 35 -4.970 -0.790 4.166 257 2HD2 LEU 35 2HD2 LEU 35 -5.252 0.842 4.769 258 3HD2 LEU 35 3HD2 LEU 35 -6.221 0.215 3.435 259 H ILE 36 H ILE 36 -0.130 1.330 4.388 260 HA ILE 36 HA ILE 36 1.144 -0.691 6.038 261 HB ILE 36 HB ILE 36 2.770 -1.346 4.259 262 1HG1 ILE 36 1HG1 ILE 36 2.208 -1.082 1.925 263 2HG1 ILE 36 2HG1 ILE 36 0.734 -0.213 2.330 264 1HG2 ILE 36 1HG2 ILE 36 0.416 -2.447 4.921 265 2HG2 ILE 36 2HG2 ILE 36 0.204 -2.264 3.181 266 3HG2 ILE 36 3HG2 ILE 36 1.574 -3.179 3.811 267 1HD1 ILE 36 1HD1 ILE 36 3.368 0.874 3.201 268 2HD1 ILE 36 2HD1 ILE 36 2.861 1.050 1.524 269 3HD1 ILE 36 3HD1 ILE 36 1.868 1.721 2.818 270 H THR 37 H THR 37 3.706 -0.369 5.553 271 HA THR 37 HA THR 37 4.245 2.506 5.452 272 HB THR 37 HB THR 37 5.587 0.708 7.462 273 HG1 THR 37 HG1 THR 37 3.271 2.296 7.841 274 1HG2 THR 37 1HG2 THR 37 6.694 2.836 7.010 275 2HG2 THR 37 2HG2 THR 37 5.201 3.691 7.396 276 3HG2 THR 37 3HG2 THR 37 6.041 2.775 8.647 277 H LEU 38 H LEU 38 6.412 3.018 4.788 278 HA LEU 38 HA LEU 38 7.927 0.760 3.679 279 1HB LEU 38 1HB LEU 38 6.867 3.156 2.256 280 2HB LEU 38 2HB LEU 38 8.417 2.508 1.759 281 HG LEU 38 HG LEU 38 6.845 1.544 0.312 282 1HD1 LEU 38 1HD1 LEU 38 8.352 -0.039 1.984 283 2HD1 LEU 38 2HD1 LEU 38 6.751 -0.777 2.043 284 3HD1 LEU 38 3HD1 LEU 38 7.561 -0.549 0.495 285 1HD2 LEU 38 1HD2 LEU 38 4.957 2.159 2.015 286 2HD2 LEU 38 2HD2 LEU 38 4.722 0.863 0.840 287 3HD2 LEU 38 3HD2 LEU 38 5.143 0.476 2.509 288 H GLU 39 H GLU 39 10.173 1.443 2.995 289 HA GLU 39 HA GLU 39 11.315 3.832 3.957 290 1HB GLU 39 1HB GLU 39 10.908 3.037 6.160 291 2HB GLU 39 2HB GLU 39 11.509 1.433 5.768 292 1HG GLU 39 1HG GLU 39 13.765 2.318 5.537 293 2HG GLU 39 2HG GLU 39 13.172 3.942 5.886 294 H THR 40 H THR 40 13.713 3.776 3.917 295 HA THR 40 HA THR 40 14.685 1.696 2.076 296 HB THR 40 HB THR 40 15.940 3.315 0.879 297 HG1 THR 40 HG1 THR 40 16.580 5.125 1.720 298 1HG2 THR 40 1HG2 THR 40 13.455 3.359 0.476 299 2HG2 THR 40 2HG2 THR 40 13.412 4.800 1.492 300 3HG2 THR 40 3HG2 THR 40 14.349 4.802 -0.003 301 H ASP 41 H ASP 41 16.214 4.320 3.919 302 HA ASP 41 HA ASP 41 17.552 2.493 5.688 303 1HB ASP 41 1HB ASP 41 18.900 3.525 3.277 304 2HB ASP 41 2HB ASP 41 19.805 3.731 4.774 305 H LYS 42 H LYS 42 15.836 4.927 5.695 306 HA LYS 42 HA LYS 42 16.843 6.199 7.943 307 1HB LYS 42 1HB LYS 42 18.059 7.132 5.511 308 2HB LYS 42 2HB LYS 42 17.106 8.426 6.223 309 1HG LYS 42 1HG LYS 42 19.216 6.845 7.677 310 2HG LYS 42 2HG LYS 42 19.457 8.437 6.953 311 1HD LYS 42 1HD LYS 42 17.439 9.138 8.419 312 2HD LYS 42 2HD LYS 42 17.799 7.669 9.327 313 1HE LYS 42 1HE LYS 42 19.729 9.922 8.782 314 2HE LYS 42 2HE LYS 42 18.888 9.635 10.305 315 1HZ LYS 42 1HZ LYS 42 20.788 7.739 9.033 316 2HZ LYS 42 2HZ LYS 42 21.170 8.783 10.309 317 3HZ LYS 42 3HZ LYS 42 20.036 7.547 10.536 318 H ALA 43 H ALA 43 15.065 6.774 4.932 319 HA ALA 43 HA ALA 43 13.063 8.320 6.409 320 1HB ALA 43 1HB ALA 43 13.785 8.069 3.527 321 2HB ALA 43 2HB ALA 43 12.154 8.578 3.966 322 3HB ALA 43 3HB ALA 43 13.547 9.515 4.508 323 H THR 44 H THR 44 11.143 7.500 6.943 324 HA THR 44 HA THR 44 10.354 4.932 5.734 325 HB THR 44 HB THR 44 9.459 4.216 7.779 326 HG1 THR 44 HG1 THR 44 8.345 6.021 8.431 327 1HG2 THR 44 1HG2 THR 44 12.101 4.842 7.719 328 2HG2 THR 44 2HG2 THR 44 11.563 5.682 9.173 329 3HG2 THR 44 3HG2 THR 44 11.299 3.946 9.008 330 H MET 45 H MET 45 8.692 5.129 4.415 331 HA MET 45 HA MET 45 6.749 7.287 4.871 332 1HB MET 45 1HB MET 45 8.019 6.243 2.535 333 2HB MET 45 2HB MET 45 6.285 5.998 2.384 334 1HG MET 45 1HG MET 45 6.909 8.100 1.396 335 2HG MET 45 2HG MET 45 5.928 8.385 2.832 336 1HE MET 45 1HE MET 45 7.186 10.465 1.471 337 2HE MET 45 2HE MET 45 8.262 11.390 2.519 338 3HE MET 45 3HE MET 45 8.933 10.345 1.266 339 H ASP 46 H ASP 46 4.639 6.307 3.372 340 HA ASP 46 HA ASP 46 3.834 3.692 4.000 341 1HB ASP 46 1HB ASP 46 2.029 4.401 5.699 342 2HB ASP 46 2HB ASP 46 3.680 4.221 6.283 343 H VAL 47 H VAL 47 1.427 3.396 3.662 344 HA VAL 47 HA VAL 47 0.509 5.343 1.652 345 HB VAL 47 HB VAL 47 -0.029 2.376 1.851 346 1HG1 VAL 47 1HG1 VAL 47 -1.704 4.395 0.740 347 2HG1 VAL 47 2HG1 VAL 47 -1.014 3.455 -0.584 348 3HG1 VAL 47 3HG1 VAL 47 -1.911 2.644 0.698 349 1HG2 VAL 47 1HG2 VAL 47 1.543 4.105 -0.028 350 2HG2 VAL 47 2HG2 VAL 47 2.061 2.671 0.856 351 3HG2 VAL 47 3HG2 VAL 47 0.960 2.513 -0.510 352 HA PRO 48 HA PRO 48 -2.810 5.749 4.709 353 1HB PRO 48 1HB PRO 48 -3.259 8.345 4.372 354 2HB PRO 48 2HB PRO 48 -1.797 7.789 5.196 355 1HG PRO 48 1HG PRO 48 -2.133 8.813 2.418 356 2HG PRO 48 2HG PRO 48 -0.789 9.050 3.547 357 1HD PRO 48 1HD PRO 48 -0.894 7.172 1.459 358 2HD PRO 48 2HD PRO 48 0.275 7.192 2.793 359 H ALA 49 H ALA 49 -3.250 4.611 2.110 360 HA ALA 49 HA ALA 49 -4.886 4.284 0.560 361 1HB ALA 49 1HB ALA 49 -6.737 5.828 2.351 362 2HB ALA 49 2HB ALA 49 -6.174 4.210 2.770 363 3HB ALA 49 3HB ALA 49 -7.104 4.466 1.294 364 H GLU 50 H GLU 50 -6.727 5.549 -0.703 365 HA GLU 50 HA GLU 50 -6.351 8.372 -0.934 366 1HB GLU 50 1HB GLU 50 -5.437 8.402 -3.198 367 2HB GLU 50 2HB GLU 50 -4.324 7.623 -2.081 368 1HG GLU 50 1HG GLU 50 -5.222 5.422 -2.861 369 2HG GLU 50 2HG GLU 50 -6.114 6.301 -4.102 370 H VAL 51 H VAL 51 -8.571 6.687 -0.507 371 HA VAL 51 HA VAL 51 -10.453 7.801 -2.206 372 HB VAL 51 HB VAL 51 -11.037 5.390 -3.277 373 1HG1 VAL 51 1HG1 VAL 51 -9.890 7.897 -4.182 374 2HG1 VAL 51 2HG1 VAL 51 -9.451 6.543 -5.222 375 3HG1 VAL 51 3HG1 VAL 51 -11.148 6.901 -4.911 376 1HG2 VAL 51 1HG2 VAL 51 -8.719 4.648 -2.357 377 2HG2 VAL 51 2HG2 VAL 51 -9.186 4.190 -3.995 378 3HG2 VAL 51 3HG2 VAL 51 -8.082 5.542 -3.736 379 H ALA 52 H ALA 52 -12.618 6.651 -2.089 380 HA ALA 52 HA ALA 52 -12.868 5.402 0.567 381 1HB ALA 52 1HB ALA 52 -14.748 7.153 -0.981 382 2HB ALA 52 2HB ALA 52 -15.207 6.280 0.482 383 3HB ALA 52 3HB ALA 52 -13.943 7.510 0.550 384 H GLY 53 H GLY 53 -12.742 3.218 -0.045 385 1HA GLY 53 1HA GLY 53 -13.879 1.980 -2.207 386 2HA GLY 53 2HA GLY 53 -15.198 2.143 -1.066 387 H VAL 54 H VAL 54 -13.589 -0.180 -2.184 388 HA VAL 54 HA VAL 54 -12.676 -1.377 0.344 389 HB VAL 54 HB VAL 54 -14.541 -2.680 -1.646 390 1HG1 VAL 54 1HG1 VAL 54 -12.860 -4.210 -0.612 391 2HG1 VAL 54 2HG1 VAL 54 -13.519 -3.790 0.968 392 3HG1 VAL 54 3HG1 VAL 54 -14.532 -4.609 -0.220 393 1HG2 VAL 54 1HG2 VAL 54 -15.492 -0.937 -0.060 394 2HG2 VAL 54 2HG2 VAL 54 -16.244 -2.532 -0.026 395 3HG2 VAL 54 3HG2 VAL 54 -15.112 -2.064 1.242 396 H VAL 55 H VAL 55 -11.036 -2.922 0.144 397 HA VAL 55 HA VAL 55 -9.469 -2.734 -2.243 398 HB VAL 55 HB VAL 55 -9.052 -4.533 0.144 399 1HG1 VAL 55 1HG1 VAL 55 -7.919 -5.284 -1.949 400 2HG1 VAL 55 2HG1 VAL 55 -7.089 -3.727 -2.007 401 3HG1 VAL 55 3HG1 VAL 55 -6.797 -4.831 -0.663 402 1HG2 VAL 55 1HG2 VAL 55 -9.052 -2.011 0.510 403 2HG2 VAL 55 2HG2 VAL 55 -7.616 -2.893 1.029 404 3HG2 VAL 55 3HG2 VAL 55 -7.592 -1.980 -0.479 405 H LYS 56 H LYS 56 -8.962 -4.300 -3.713 406 HA LYS 56 HA LYS 56 -10.749 -6.644 -3.767 407 1HB LYS 56 1HB LYS 56 -9.573 -6.091 -6.336 408 2HB LYS 56 2HB LYS 56 -11.274 -6.182 -5.899 409 1HG LYS 56 1HG LYS 56 -9.627 -3.714 -5.440 410 2HG LYS 56 2HG LYS 56 -10.470 -4.027 -6.959 411 1HD LYS 56 1HD LYS 56 -11.991 -4.238 -4.404 412 2HD LYS 56 2HD LYS 56 -11.605 -2.634 -5.031 413 1HE LYS 56 1HE LYS 56 -13.459 -2.843 -6.259 414 2HE LYS 56 2HE LYS 56 -12.520 -3.952 -7.258 415 1HZ LYS 56 1HZ LYS 56 -13.784 -5.084 -4.892 416 2HZ LYS 56 2HZ LYS 56 -14.821 -4.618 -6.143 417 3HZ LYS 56 3HZ LYS 56 -13.592 -5.744 -6.436 418 H GLU 57 H GLU 57 -7.579 -5.395 -4.701 419 HA GLU 57 HA GLU 57 -6.581 -8.131 -4.654 420 1HB GLU 57 1HB GLU 57 -5.932 -5.770 -6.292 421 2HB GLU 57 2HB GLU 57 -4.556 -6.748 -5.802 422 1HG GLU 57 1HG GLU 57 -6.075 -8.715 -6.664 423 2HG GLU 57 2HG GLU 57 -6.820 -7.419 -7.599 424 H VAL 58 H VAL 58 -4.241 -8.333 -3.992 425 HA VAL 58 HA VAL 58 -3.169 -6.404 -2.155 426 HB VAL 58 HB VAL 58 -4.890 -7.448 -0.726 427 1HG1 VAL 58 1HG1 VAL 58 -4.889 -9.645 -1.883 428 2HG1 VAL 58 2HG1 VAL 58 -3.342 -10.007 -1.117 429 3HG1 VAL 58 3HG1 VAL 58 -4.783 -9.776 -0.127 430 1HG2 VAL 58 1HG2 VAL 58 -2.252 -6.973 -0.126 431 2HG2 VAL 58 2HG2 VAL 58 -3.537 -7.271 1.047 432 3HG2 VAL 58 3HG2 VAL 58 -2.510 -8.600 0.505 433 H LYS 59 H LYS 59 -1.042 -6.550 -2.324 434 HA LYS 59 HA LYS 59 0.254 -9.145 -2.527 435 1HB LYS 59 1HB LYS 59 0.661 -6.989 -4.603 436 2HB LYS 59 2HB LYS 59 1.536 -8.513 -4.516 437 1HG LYS 59 1HG LYS 59 -0.018 -9.059 -6.083 438 2HG LYS 59 2HG LYS 59 -0.905 -9.516 -4.627 439 1HD LYS 59 1HD LYS 59 -2.493 -8.267 -5.720 440 2HD LYS 59 2HD LYS 59 -1.728 -7.027 -4.726 441 1HE LYS 59 1HE LYS 59 -1.941 -6.109 -6.898 442 2HE LYS 59 2HE LYS 59 -0.240 -6.527 -6.695 443 1HZ LYS 59 1HZ LYS 59 -1.857 -8.628 -7.837 444 2HZ LYS 59 2HZ LYS 59 -1.753 -7.241 -8.797 445 3HZ LYS 59 3HZ LYS 59 -0.344 -8.045 -8.317 446 H VAL 60 H VAL 60 0.936 -8.473 -0.407 447 HA VAL 60 HA VAL 60 3.498 -7.299 -0.392 448 HB VAL 60 HB VAL 60 2.734 -5.146 -0.541 449 1HG1 VAL 60 1HG1 VAL 60 0.267 -5.950 0.988 450 2HG1 VAL 60 2HG1 VAL 60 0.612 -4.315 0.426 451 3HG1 VAL 60 3HG1 VAL 60 0.389 -5.621 -0.741 452 1HG2 VAL 60 1HG2 VAL 60 3.817 -5.627 1.772 453 2HG2 VAL 60 2HG2 VAL 60 3.063 -4.062 1.473 454 3HG2 VAL 60 3HG2 VAL 60 2.204 -5.293 2.398 455 H LYS 61 H LYS 61 4.521 -7.430 1.637 456 HA LYS 61 HA LYS 61 3.029 -8.506 3.888 457 1HB LYS 61 1HB LYS 61 4.126 -10.297 2.144 458 2HB LYS 61 2HB LYS 61 5.438 -10.088 3.295 459 1HG LYS 61 1HG LYS 61 4.362 -11.770 4.343 460 2HG LYS 61 2HG LYS 61 3.432 -10.429 5.018 461 1HD LYS 61 1HD LYS 61 1.567 -10.980 3.873 462 2HD LYS 61 2HD LYS 61 2.470 -11.453 2.432 463 1HE LYS 61 1HE LYS 61 2.142 -13.581 2.971 464 2HE LYS 61 2HE LYS 61 3.111 -13.331 4.422 465 1HZ LYS 61 1HZ LYS 61 0.198 -12.787 4.271 466 2HZ LYS 61 2HZ LYS 61 0.855 -14.238 4.839 467 3HZ LYS 61 3HZ LYS 61 1.167 -12.792 5.658 468 H VAL 62 H VAL 62 4.959 -9.237 5.575 469 HA VAL 62 HA VAL 62 6.500 -6.764 5.919 470 HB VAL 62 HB VAL 62 5.909 -8.915 7.957 471 1HG1 VAL 62 1HG1 VAL 62 7.946 -7.205 8.081 472 2HG1 VAL 62 2HG1 VAL 62 6.679 -6.157 8.718 473 3HG1 VAL 62 3HG1 VAL 62 7.033 -7.693 9.508 474 1HG2 VAL 62 1HG2 VAL 62 3.893 -7.699 7.136 475 2HG2 VAL 62 2HG2 VAL 62 4.225 -7.466 8.852 476 3HG2 VAL 62 3HG2 VAL 62 4.631 -6.198 7.696 477 H GLY 63 H GLY 63 8.077 -7.530 4.319 478 1HA GLY 63 1HA GLY 63 9.811 -9.696 5.292 479 2HA GLY 63 2HA GLY 63 10.505 -8.107 5.016 480 H ASP 64 H ASP 64 9.111 -7.413 2.676 481 HA ASP 64 HA ASP 64 10.357 -9.283 0.782 482 1HB ASP 64 1HB ASP 64 8.371 -8.644 -0.766 483 2HB ASP 64 2HB ASP 64 8.117 -9.861 0.481 484 H LYS 65 H LYS 65 10.702 -8.291 -1.385 485 HA LYS 65 HA LYS 65 11.739 -5.597 -1.038 486 1HB LYS 65 1HB LYS 65 12.145 -7.788 -3.028 487 2HB LYS 65 2HB LYS 65 12.494 -6.137 -3.517 488 1HG LYS 65 1HG LYS 65 13.677 -6.635 -0.964 489 2HG LYS 65 2HG LYS 65 14.143 -7.909 -2.093 490 1HD LYS 65 1HD LYS 65 14.245 -5.128 -3.102 491 2HD LYS 65 2HD LYS 65 15.451 -5.580 -1.895 492 1HE LYS 65 1HE LYS 65 16.622 -6.697 -3.417 493 2HE LYS 65 2HE LYS 65 15.211 -7.659 -3.853 494 1HZ LYS 65 1HZ LYS 65 14.646 -5.371 -5.082 495 2HZ LYS 65 2HZ LYS 65 16.336 -5.321 -5.156 496 3HZ LYS 65 3HZ LYS 65 15.497 -6.633 -5.818 497 H ILE 66 H ILE 66 10.278 -4.064 -1.247 498 HA ILE 66 HA ILE 66 8.690 -4.006 -3.712 499 HB ILE 66 HB ILE 66 7.707 -4.207 -0.999 500 1HG1 ILE 66 1HG1 ILE 66 5.672 -4.829 -2.094 501 2HG1 ILE 66 2HG1 ILE 66 6.174 -4.045 -3.590 502 1HG2 ILE 66 1HG2 ILE 66 6.713 -1.819 -2.533 503 2HG2 ILE 66 2HG2 ILE 66 5.927 -2.513 -1.116 504 3HG2 ILE 66 3HG2 ILE 66 7.538 -1.808 -0.978 505 1HD1 ILE 66 1HD1 ILE 66 7.801 -6.265 -2.439 506 2HD1 ILE 66 2HD1 ILE 66 6.348 -6.611 -3.378 507 3HD1 ILE 66 3HD1 ILE 66 7.679 -5.712 -4.109 508 H SER 67 H SER 67 7.868 -1.766 -4.191 509 HA SER 67 HA SER 67 9.091 0.477 -2.933 510 1HB SER 67 1HB SER 67 10.656 1.144 -4.602 511 2HB SER 67 2HB SER 67 11.011 -0.544 -4.235 512 HG SER 67 HG SER 67 10.104 0.600 -6.562 513 H GLU 68 H GLU 68 8.735 2.511 -4.239 514 HA GLU 68 HA GLU 68 6.104 2.936 -4.792 515 1HB GLU 68 1HB GLU 68 8.563 4.378 -5.170 516 2HB GLU 68 2HB GLU 68 7.497 4.656 -6.541 517 1HG GLU 68 1HG GLU 68 5.866 4.882 -4.294 518 2HG GLU 68 2HG GLU 68 7.365 5.705 -3.866 519 H GLY 69 H GLY 69 5.146 1.331 -6.016 520 1HA GLY 69 1HA GLY 69 5.937 1.242 -8.859 521 2HA GLY 69 2HA GLY 69 4.256 1.316 -8.352 522 H GLY 70 H GLY 70 3.880 -0.514 -6.501 523 1HA GLY 70 1HA GLY 70 4.748 -2.831 -6.023 524 2HA GLY 70 2HA GLY 70 4.837 -3.006 -7.767 525 H LEU 71 H LEU 71 2.183 -1.228 -7.511 526 HA LEU 71 HA LEU 71 -0.066 -1.600 -7.389 527 1HB LEU 71 1HB LEU 71 0.463 -2.740 -9.473 528 2HB LEU 71 2HB LEU 71 0.851 -4.209 -8.600 529 HG LEU 71 HG LEU 71 -1.384 -4.696 -8.156 530 1HD1 LEU 71 1HD1 LEU 71 -1.992 -1.809 -8.759 531 2HD1 LEU 71 2HD1 LEU 71 -3.223 -3.047 -8.518 532 3HD1 LEU 71 3HD1 LEU 71 -2.122 -2.632 -7.205 533 1HD2 LEU 71 1HD2 LEU 71 -0.661 -3.964 -10.814 534 2HD2 LEU 71 2HD2 LEU 71 -1.759 -5.233 -10.272 535 3HD2 LEU 71 3HD2 LEU 71 -2.370 -3.604 -10.563 536 H ILE 72 H ILE 72 1.044 -1.950 -4.958 537 HA ILE 72 HA ILE 72 0.879 -4.268 -3.571 538 HB ILE 72 HB ILE 72 0.311 -1.439 -2.833 539 1HG1 ILE 72 1HG1 ILE 72 2.195 -3.363 -1.510 540 2HG1 ILE 72 2HG1 ILE 72 2.590 -2.644 -3.068 541 1HG2 ILE 72 1HG2 ILE 72 -0.614 -3.774 -1.269 542 2HG2 ILE 72 2HG2 ILE 72 0.286 -2.549 -0.372 543 3HG2 ILE 72 3HG2 ILE 72 -1.175 -2.101 -1.251 544 1HD1 ILE 72 1HD1 ILE 72 1.821 -0.973 -0.712 545 2HD1 ILE 72 2HD1 ILE 72 3.480 -1.508 -0.984 546 3HD1 ILE 72 3HD1 ILE 72 2.673 -0.495 -2.177 547 H VAL 73 H VAL 73 -1.883 -2.033 -3.303 548 HA VAL 73 HA VAL 73 -3.687 -4.313 -3.721 549 HB VAL 73 HB VAL 73 -5.069 -3.691 -1.838 550 1HG1 VAL 73 1HG1 VAL 73 -2.409 -4.675 -1.627 551 2HG1 VAL 73 2HG1 VAL 73 -2.766 -3.712 -0.193 552 3HG1 VAL 73 3HG1 VAL 73 -3.812 -5.062 -0.633 553 1HG2 VAL 73 1HG2 VAL 73 -3.058 -1.488 -1.401 554 2HG2 VAL 73 2HG2 VAL 73 -4.768 -1.312 -1.794 555 3HG2 VAL 73 3HG2 VAL 73 -4.285 -1.961 -0.227 556 H VAL 74 H VAL 74 -5.709 -3.846 -4.531 557 HA VAL 74 HA VAL 74 -6.046 -1.125 -5.628 558 HB VAL 74 HB VAL 74 -7.184 -3.753 -6.617 559 1HG1 VAL 74 1HG1 VAL 74 -8.373 -1.368 -6.948 560 2HG1 VAL 74 2HG1 VAL 74 -7.261 -1.342 -8.316 561 3HG1 VAL 74 3HG1 VAL 74 -8.426 -2.655 -8.152 562 1HG2 VAL 74 1HG2 VAL 74 -4.752 -2.224 -7.278 563 2HG2 VAL 74 2HG2 VAL 74 -5.084 -3.951 -7.417 564 3HG2 VAL 74 3HG2 VAL 74 -5.677 -2.837 -8.650 565 H VAL 75 H VAL 75 -7.988 -0.047 -5.269 566 HA VAL 75 HA VAL 75 -9.913 -1.437 -3.542 567 HB VAL 75 HB VAL 75 -10.365 0.793 -2.511 568 1HG1 VAL 75 1HG1 VAL 75 -7.756 -0.637 -2.240 569 2HG1 VAL 75 2HG1 VAL 75 -8.088 0.789 -1.259 570 3HG1 VAL 75 3HG1 VAL 75 -9.139 -0.622 -1.148 571 1HG2 VAL 75 1HG2 VAL 75 -7.908 1.537 -4.076 572 2HG2 VAL 75 2HG2 VAL 75 -9.504 2.280 -4.160 573 3HG2 VAL 75 3HG2 VAL 75 -8.517 2.471 -2.711 574 H GLU 76 H GLU 76 -12.090 -0.535 -3.534 575 HA GLU 76 HA GLU 76 -13.101 -0.270 -6.167 576 1HB GLU 76 1HB GLU 76 -14.160 -1.082 -3.804 577 2HB GLU 76 2HB GLU 76 -14.842 0.537 -3.918 578 1HG GLU 76 1HG GLU 76 -16.136 0.021 -5.714 579 2HG GLU 76 2HG GLU 76 -15.018 -1.203 -6.310 580 H ALA 77 H ALA 77 -12.644 2.017 -3.508 581 HA ALA 77 HA ALA 77 -12.626 4.278 -3.416 582 1HB ALA 77 1HB ALA 77 -10.885 4.347 -4.909 583 2HB ALA 77 2HB ALA 77 -11.862 3.736 -6.242 584 3HB ALA 77 3HB ALA 77 -12.075 5.393 -5.681 585 H GLU 78 H GLU 78 -14.175 5.743 -3.226 586 HA GLU 78 HA GLU 78 -16.341 6.508 -3.248 587 1HB GLU 78 1HB GLU 78 -16.861 7.685 -5.335 588 2HB GLU 78 2HB GLU 78 -15.195 7.942 -4.832 589 1HG GLU 78 1HG GLU 78 -14.335 6.742 -6.579 590 2HG GLU 78 2HG GLU 78 -15.782 5.750 -6.754 591 H GLY 79 H GLY 79 -16.850 4.025 -2.963 592 1HA GLY 79 1HA GLY 79 -18.026 2.130 -3.696 593 2HA GLY 79 2HA GLY 79 -18.361 2.951 -5.213 594 H THR 80 H THR 80 -19.974 1.573 -2.936 595 HA THR 80 HA THR 80 -21.659 3.374 -1.690 596 HB THR 80 HB THR 80 -22.363 4.300 -3.746 597 HG1 THR 80 HG1 THR 80 -24.162 3.907 -2.545 598 1HG2 THR 80 1HG2 THR 80 -21.522 2.162 -5.036 599 2HG2 THR 80 2HG2 THR 80 -23.233 1.739 -4.956 600 3HG2 THR 80 3HG2 THR 80 -22.731 3.247 -5.721 601 H ALA 81 H ALA 81 -22.323 2.079 -0.119 602 HA ALA 81 HA ALA 81 -23.977 -0.183 -0.636 603 1HB ALA 81 1HB ALA 81 -21.780 -1.193 -1.089 604 2HB ALA 81 2HB ALA 81 -21.260 -0.761 0.540 605 3HB ALA 81 3HB ALA 81 -22.573 -1.917 0.310 No H/Q in entry = 605 Start of MODEL 8 1 H1 ALA 1 H1 ALA 1 -15.674 3.582 -9.603 2 H2 ALA 1 H2 ALA 1 -14.670 4.607 -10.544 3 H3 ALA 1 H3 ALA 1 -15.976 3.772 -11.278 4 HA ALA 1 HA ALA 1 -14.964 1.730 -11.032 5 1HB ALA 1 1HB ALA 1 -13.639 3.916 -12.353 6 2HB ALA 1 2HB ALA 1 -12.474 2.692 -11.848 7 3HB ALA 1 3HB ALA 1 -13.836 2.242 -12.873 8 H LEU 2 H LEU 2 -12.533 0.844 -10.668 9 HA LEU 2 HA LEU 2 -12.115 1.130 -7.798 10 1HB LEU 2 1HB LEU 2 -10.374 -0.701 -9.312 11 2HB LEU 2 2HB LEU 2 -11.262 -0.968 -7.826 12 HG LEU 2 HG LEU 2 -12.285 -1.205 -10.648 13 1HD1 LEU 2 1HD1 LEU 2 -11.589 -3.063 -8.447 14 2HD1 LEU 2 2HD1 LEU 2 -12.996 -3.463 -9.432 15 3HD1 LEU 2 3HD1 LEU 2 -11.419 -3.253 -10.193 16 1HD2 LEU 2 1HD2 LEU 2 -13.727 -0.445 -8.274 17 2HD2 LEU 2 2HD2 LEU 2 -14.300 -0.597 -9.936 18 3HD2 LEU 2 3HD2 LEU 2 -14.288 -2.006 -8.874 19 H VAL 3 H VAL 3 -9.693 0.872 -7.145 20 HA VAL 3 HA VAL 3 -8.077 2.756 -8.732 21 HB VAL 3 HB VAL 3 -8.613 2.736 -5.776 22 1HG1 VAL 3 1HG1 VAL 3 -6.179 2.647 -5.953 23 2HG1 VAL 3 2HG1 VAL 3 -6.207 4.025 -7.056 24 3HG1 VAL 3 3HG1 VAL 3 -6.723 4.226 -5.381 25 1HG2 VAL 3 1HG2 VAL 3 -8.878 4.630 -8.033 26 2HG2 VAL 3 2HG2 VAL 3 -9.949 4.337 -6.663 27 3HG2 VAL 3 3HG2 VAL 3 -8.489 5.303 -6.449 28 H GLU 4 H GLU 4 -5.727 2.584 -8.284 29 HA GLU 4 HA GLU 4 -4.947 -0.151 -7.522 30 1HB GLU 4 1HB GLU 4 -3.934 1.511 -9.832 31 2HB GLU 4 2HB GLU 4 -3.147 0.043 -9.269 32 1HG GLU 4 1HG GLU 4 -4.762 -1.317 -10.113 33 2HG GLU 4 2HG GLU 4 -6.032 -0.108 -9.932 34 H LEU 5 H LEU 5 -4.312 0.487 -5.450 35 HA LEU 5 HA LEU 5 -2.810 2.694 -4.736 36 1HB LEU 5 1HB LEU 5 -3.640 0.281 -3.509 37 2HB LEU 5 2HB LEU 5 -1.921 0.437 -3.207 38 HG LEU 5 HG LEU 5 -3.244 1.397 -1.388 39 1HD1 LEU 5 1HD1 LEU 5 -1.012 2.377 -2.285 40 2HD1 LEU 5 2HD1 LEU 5 -2.021 3.731 -2.791 41 3HD1 LEU 5 3HD1 LEU 5 -1.944 3.277 -1.088 42 1HD2 LEU 5 1HD2 LEU 5 -5.005 2.185 -3.267 43 2HD2 LEU 5 2HD2 LEU 5 -4.925 2.879 -1.647 44 3HD2 LEU 5 3HD2 LEU 5 -4.140 3.698 -2.998 45 H LYS 6 H LYS 6 -0.563 3.005 -4.333 46 HA LYS 6 HA LYS 6 1.249 1.128 -5.660 47 1HB LYS 6 1HB LYS 6 0.988 4.061 -6.296 48 2HB LYS 6 2HB LYS 6 2.425 3.131 -6.693 49 1HG LYS 6 1HG LYS 6 0.170 1.696 -7.639 50 2HG LYS 6 2HG LYS 6 0.012 3.376 -8.156 51 1HD LYS 6 1HD LYS 6 2.582 3.022 -8.748 52 2HD LYS 6 2HD LYS 6 2.054 1.344 -8.875 53 1HE LYS 6 1HE LYS 6 0.094 2.799 -10.205 54 2HE LYS 6 2HE LYS 6 1.611 3.566 -10.676 55 1HZ LYS 6 1HZ LYS 6 1.896 0.760 -10.757 56 2HZ LYS 6 2HZ LYS 6 0.534 1.205 -11.655 57 3HZ LYS 6 3HZ LYS 6 2.042 1.878 -12.020 58 H VAL 7 H VAL 7 3.404 1.251 -5.023 59 HA VAL 7 HA VAL 7 3.971 1.545 -2.364 60 HB VAL 7 HB VAL 7 5.833 1.882 -4.717 61 1HG1 VAL 7 1HG1 VAL 7 6.682 2.752 -2.468 62 2HG1 VAL 7 2HG1 VAL 7 6.675 1.066 -1.955 63 3HG1 VAL 7 3HG1 VAL 7 7.681 1.572 -3.311 64 1HG2 VAL 7 1HG2 VAL 7 4.546 -0.246 -4.564 65 2HG2 VAL 7 2HG2 VAL 7 6.295 -0.449 -4.489 66 3HG2 VAL 7 3HG2 VAL 7 5.333 -0.548 -3.015 67 HA PRO 8 HA PRO 8 4.111 5.914 -1.644 68 1HB PRO 8 1HB PRO 8 5.669 5.982 0.579 69 2HB PRO 8 2HB PRO 8 3.976 5.474 0.597 70 1HG PRO 8 1HG PRO 8 6.456 3.802 0.607 71 2HG PRO 8 2HG PRO 8 4.941 3.566 1.498 72 1HD PRO 8 1HD PRO 8 5.571 2.193 -0.763 73 2HD PRO 8 2HD PRO 8 3.903 2.560 -0.289 74 H ASP 9 H ASP 9 6.025 7.450 -0.638 75 HA ASP 9 HA ASP 9 8.109 7.354 -2.689 76 1HB ASP 9 1HB ASP 9 6.622 9.435 -1.318 77 2HB ASP 9 2HB ASP 9 8.357 9.735 -1.257 78 H ILE 10 H ILE 10 9.209 5.609 -1.509 79 HA ILE 10 HA ILE 10 10.441 6.336 1.019 80 HB ILE 10 HB ILE 10 11.590 4.033 0.661 81 1HG1 ILE 10 1HG1 ILE 10 10.443 2.484 -0.780 82 2HG1 ILE 10 2HG1 ILE 10 9.232 3.691 -1.197 83 1HG2 ILE 10 1HG2 ILE 10 9.724 4.655 2.249 84 2HG2 ILE 10 2HG2 ILE 10 8.613 3.998 1.045 85 3HG2 ILE 10 3HG2 ILE 10 9.827 2.956 1.792 86 1HD1 ILE 10 1HD1 ILE 10 10.972 5.005 -2.331 87 2HD1 ILE 10 2HD1 ILE 10 12.142 3.739 -1.960 88 3HD1 ILE 10 3HD1 ILE 10 10.776 3.393 -3.018 89 H GLY 11 H GLY 11 11.351 8.176 -0.437 90 1HA GLY 11 1HA GLY 11 13.479 9.132 -0.738 91 2HA GLY 11 2HA GLY 11 13.187 8.335 -2.270 92 H GLY 12 H GLY 12 14.145 6.281 -2.665 93 1HA GLY 12 1HA GLY 12 15.756 4.760 -1.098 94 2HA GLY 12 2HA GLY 12 16.797 6.104 -1.545 95 H HIS 13 H HIS 13 14.480 3.904 -3.130 96 HA HIS 13 HA HIS 13 15.400 4.036 -5.704 97 1HB HIS 13 1HB HIS 13 16.810 1.820 -5.658 98 2HB HIS 13 2HB HIS 13 17.576 3.367 -5.316 99 HD1 HIS 13 HD1 HIS 13 19.382 1.878 -4.025 100 HD2 HIS 13 HD2 HIS 13 15.585 1.993 -2.341 101 HE1 HIS 13 HE1 HIS 13 19.666 1.042 -1.671 102 HE2 HIS 13 HE2 HIS 13 17.343 1.047 -0.695 103 H GLU 14 H GLU 14 14.678 2.251 -7.062 104 HA GLU 14 HA GLU 14 12.244 1.125 -6.085 105 1HB GLU 14 1HB GLU 14 12.267 -0.039 -8.364 106 2HB GLU 14 2HB GLU 14 12.220 1.719 -8.365 107 1HG GLU 14 1HG GLU 14 14.938 0.800 -8.384 108 2HG GLU 14 2HG GLU 14 14.027 0.053 -9.695 109 H ASN 15 H ASN 15 13.606 0.093 -4.290 110 HA ASN 15 HA ASN 15 13.473 -2.683 -4.538 111 1HB ASN 15 1HB ASN 15 16.016 -3.078 -4.222 112 2HB ASN 15 2HB ASN 15 15.411 -2.790 -5.851 113 1HD2 ASN 15 2HD2 ASN 15 16.264 -1.185 -6.993 114 2HD2 ASN 15 1HD2 ASN 15 17.339 0.019 -6.378 115 H VAL 16 H VAL 16 12.381 -1.250 -2.696 116 HA VAL 16 HA VAL 16 14.166 -1.227 -0.363 117 HB VAL 16 HB VAL 16 12.597 0.257 0.713 118 1HG1 VAL 16 1HG1 VAL 16 13.317 1.037 -2.104 119 2HG1 VAL 16 2HG1 VAL 16 12.635 2.169 -0.935 120 3HG1 VAL 16 3HG1 VAL 16 14.190 1.400 -0.614 121 1HG2 VAL 16 1HG2 VAL 16 10.688 -0.884 -0.917 122 2HG2 VAL 16 2HG2 VAL 16 10.450 0.511 0.137 123 3HG2 VAL 16 3HG2 VAL 16 10.850 0.747 -1.566 124 H ASP 17 H ASP 17 12.566 -1.461 1.719 125 HA ASP 17 HA ASP 17 11.101 -3.983 1.319 126 1HB ASP 17 1HB ASP 17 12.848 -3.259 3.682 127 2HB ASP 17 2HB ASP 17 11.918 -4.744 3.507 128 H ILE 18 H ILE 18 9.086 -4.039 2.119 129 HA ILE 18 HA ILE 18 7.903 -1.700 3.173 130 HB ILE 18 HB ILE 18 6.893 -4.542 3.006 131 1HG1 ILE 18 1HG1 ILE 18 5.599 -2.404 1.477 132 2HG1 ILE 18 2HG1 ILE 18 7.286 -2.659 1.048 133 1HG2 ILE 18 1HG2 ILE 18 5.450 -2.050 3.900 134 2HG2 ILE 18 2HG2 ILE 18 4.642 -3.545 3.432 135 3HG2 ILE 18 3HG2 ILE 18 5.719 -3.525 4.828 136 1HD1 ILE 18 1HD1 ILE 18 5.663 -5.092 1.271 137 2HD1 ILE 18 2HD1 ILE 18 5.231 -4.001 -0.044 138 3HD1 ILE 18 3HD1 ILE 18 6.874 -4.634 0.074 139 H ILE 19 H ILE 19 6.772 -1.580 5.255 140 HA ILE 19 HA ILE 19 8.180 -3.099 7.345 141 HB ILE 19 HB ILE 19 9.013 -1.292 8.350 142 1HG1 ILE 19 1HG1 ILE 19 6.472 0.298 7.952 143 2HG1 ILE 19 2HG1 ILE 19 6.733 -0.803 9.301 144 1HG2 ILE 19 1HG2 ILE 19 8.024 0.092 5.868 145 2HG2 ILE 19 2HG2 ILE 19 9.082 0.860 7.053 146 3HG2 ILE 19 3HG2 ILE 19 9.626 -0.575 6.184 147 1HD1 ILE 19 1HD1 ILE 19 8.675 0.543 9.981 148 2HD1 ILE 19 2HD1 ILE 19 8.318 1.674 8.676 149 3HD1 ILE 19 3HD1 ILE 19 7.165 1.454 9.993 150 H ALA 20 H ALA 20 5.262 -1.378 6.409 151 HA ALA 20 HA ALA 20 3.822 -2.796 8.552 152 1HB ALA 20 1HB ALA 20 3.924 -0.259 8.661 153 2HB ALA 20 2HB ALA 20 2.876 -0.267 7.243 154 3HB ALA 20 3HB ALA 20 2.324 -0.995 8.751 155 H VAL 21 H VAL 21 1.493 -3.200 8.015 156 HA VAL 21 HA VAL 21 0.769 -3.363 5.238 157 HB VAL 21 HB VAL 21 2.203 -5.365 5.465 158 1HG1 VAL 21 1HG1 VAL 21 1.569 -5.653 7.935 159 2HG1 VAL 21 2HG1 VAL 21 0.151 -6.510 7.331 160 3HG1 VAL 21 3HG1 VAL 21 1.768 -7.109 6.959 161 1HG2 VAL 21 1HG2 VAL 21 -0.047 -5.186 4.114 162 2HG2 VAL 21 2HG2 VAL 21 0.828 -6.713 4.219 163 3HG2 VAL 21 3HG2 VAL 21 -0.572 -6.427 5.252 164 H GLU 22 H GLU 22 -1.292 -2.768 5.264 165 HA GLU 22 HA GLU 22 -3.079 -3.949 7.270 166 1HB GLU 22 1HB GLU 22 -2.900 -1.022 6.549 167 2HB GLU 22 2HB GLU 22 -4.242 -1.727 7.440 168 1HG GLU 22 1HG GLU 22 -1.984 -2.574 8.809 169 2HG GLU 22 2HG GLU 22 -1.635 -0.903 8.365 170 H VAL 23 H VAL 23 -3.178 -5.190 5.064 171 HA VAL 23 HA VAL 23 -5.604 -4.249 3.740 172 HB VAL 23 HB VAL 23 -4.608 -4.941 1.504 173 1HG1 VAL 23 1HG1 VAL 23 -3.919 -2.479 3.034 174 2HG1 VAL 23 2HG1 VAL 23 -3.216 -2.710 1.434 175 3HG1 VAL 23 3HG1 VAL 23 -4.968 -2.680 1.631 176 1HG2 VAL 23 1HG2 VAL 23 -2.066 -4.689 3.106 177 2HG2 VAL 23 2HG2 VAL 23 -2.656 -6.119 2.259 178 3HG2 VAL 23 3HG2 VAL 23 -2.135 -4.704 1.344 179 H ASN 24 H ASN 24 -7.014 -5.853 3.828 180 HA ASN 24 HA ASN 24 -6.030 -8.630 3.670 181 1HB ASN 24 1HB ASN 24 -7.407 -7.424 5.757 182 2HB ASN 24 2HB ASN 24 -8.646 -8.325 4.893 183 1HD2 ASN 24 2HD2 ASN 24 -8.954 -10.272 5.673 184 2HD2 ASN 24 1HD2 ASN 24 -7.753 -11.298 6.373 185 H VAL 25 H VAL 25 -7.022 -6.713 1.587 186 HA VAL 25 HA VAL 25 -8.196 -6.825 -0.352 187 HB VAL 25 HB VAL 25 -8.728 -9.653 0.557 188 1HG1 VAL 25 1HG1 VAL 25 -9.387 -8.291 -2.046 189 2HG1 VAL 25 2HG1 VAL 25 -9.303 -10.043 -1.861 190 3HG1 VAL 25 3HG1 VAL 25 -10.491 -9.116 -0.946 191 1HG2 VAL 25 1HG2 VAL 25 -6.656 -8.349 -1.150 192 2HG2 VAL 25 2HG2 VAL 25 -6.464 -9.546 0.131 193 3HG2 VAL 25 3HG2 VAL 25 -7.107 -10.029 -1.438 194 H GLY 26 H GLY 26 -10.392 -9.041 1.294 195 1HA GLY 26 1HA GLY 26 -12.642 -8.859 1.712 196 2HA GLY 26 2HA GLY 26 -12.644 -7.413 0.711 197 H ASP 27 H ASP 27 -11.353 -5.540 1.862 198 HA ASP 27 HA ASP 27 -12.482 -5.355 4.553 199 1HB ASP 27 1HB ASP 27 -9.794 -5.538 4.079 200 2HB ASP 27 2HB ASP 27 -10.031 -3.793 4.120 201 H THR 28 H THR 28 -12.490 -2.964 5.293 202 HA THR 28 HA THR 28 -13.592 -1.386 3.080 203 HB THR 28 HB THR 28 -13.868 -0.858 6.040 204 HG1 THR 28 HG1 THR 28 -15.295 -2.372 6.084 205 1HG2 THR 28 1HG2 THR 28 -14.387 0.973 4.327 206 2HG2 THR 28 2HG2 THR 28 -15.776 -0.024 3.896 207 3HG2 THR 28 3HG2 THR 28 -15.608 0.591 5.541 208 H ILE 29 H ILE 29 -12.767 0.551 2.482 209 HA ILE 29 HA ILE 29 -10.568 1.667 4.083 210 HB ILE 29 HB ILE 29 -9.380 2.249 1.979 211 1HG1 ILE 29 1HG1 ILE 29 -10.508 0.236 0.289 212 2HG1 ILE 29 2HG1 ILE 29 -11.798 1.313 0.814 213 1HG2 ILE 29 1HG2 ILE 29 -9.471 -0.196 3.344 214 2HG2 ILE 29 2HG2 ILE 29 -9.369 -0.601 1.629 215 3HG2 ILE 29 3HG2 ILE 29 -8.150 0.443 2.364 216 1HD1 ILE 29 1HD1 ILE 29 -9.232 2.370 -0.307 217 2HD1 ILE 29 2HD1 ILE 29 -10.575 1.883 -1.341 218 3HD1 ILE 29 3HD1 ILE 29 -10.794 3.177 -0.162 219 H ALA 30 H ALA 30 -10.204 3.918 3.833 220 HA ALA 30 HA ALA 30 -12.304 5.415 2.434 221 1HB ALA 30 1HB ALA 30 -11.467 5.985 5.274 222 2HB ALA 30 2HB ALA 30 -12.677 6.858 4.333 223 3HB ALA 30 3HB ALA 30 -12.965 5.183 4.802 224 H VAL 31 H VAL 31 -11.741 7.869 2.569 225 HA VAL 31 HA VAL 31 -9.111 8.145 1.441 226 HB VAL 31 HB VAL 31 -10.922 10.451 2.094 227 1HG1 VAL 31 1HG1 VAL 31 -8.927 9.918 -0.103 228 2HG1 VAL 31 2HG1 VAL 31 -9.938 11.358 0.014 229 3HG1 VAL 31 3HG1 VAL 31 -8.734 11.023 1.259 230 1HG2 VAL 31 1HG2 VAL 31 -11.575 8.201 0.441 231 2HG2 VAL 31 2HG2 VAL 31 -12.539 9.631 0.810 232 3HG2 VAL 31 3HG2 VAL 31 -11.419 9.649 -0.553 233 H ASP 32 H ASP 32 -8.510 7.328 3.874 234 HA ASP 32 HA ASP 32 -6.707 9.014 4.949 235 1HB ASP 32 1HB ASP 32 -7.992 9.837 7.053 236 2HB ASP 32 2HB ASP 32 -8.166 10.739 5.550 237 H ASP 33 H ASP 33 -6.201 6.625 4.923 238 HA ASP 33 HA ASP 33 -6.385 5.638 7.640 239 1HB ASP 33 1HB ASP 33 -7.323 3.486 7.090 240 2HB ASP 33 2HB ASP 33 -8.423 4.733 6.511 241 H THR 34 H THR 34 -4.451 4.882 8.195 242 HA THR 34 HA THR 34 -2.305 4.720 6.416 243 HB THR 34 HB THR 34 -1.432 3.189 8.428 244 HG1 THR 34 HG1 THR 34 -2.443 3.736 10.304 245 1HG2 THR 34 1HG2 THR 34 -0.485 5.344 7.727 246 2HG2 THR 34 2HG2 THR 34 -1.742 6.164 8.657 247 3HG2 THR 34 3HG2 THR 34 -0.553 5.153 9.480 248 H LEU 35 H LEU 35 -1.907 3.318 4.894 249 HA LEU 35 HA LEU 35 -3.117 0.669 4.984 250 1HB LEU 35 1HB LEU 35 -1.786 2.321 2.872 251 2HB LEU 35 2HB LEU 35 -1.889 0.582 2.662 252 HG LEU 35 HG LEU 35 -4.299 2.323 3.160 253 1HD1 LEU 35 1HD1 LEU 35 -2.750 2.471 0.917 254 2HD1 LEU 35 2HD1 LEU 35 -3.927 1.234 0.474 255 3HD1 LEU 35 3HD1 LEU 35 -4.475 2.830 0.989 256 1HD2 LEU 35 1HD2 LEU 35 -3.878 -0.479 3.129 257 2HD2 LEU 35 2HD2 LEU 35 -5.396 0.402 3.300 258 3HD2 LEU 35 3HD2 LEU 35 -4.819 -0.056 1.698 259 H ILE 36 H ILE 36 0.042 2.222 4.895 260 HA ILE 36 HA ILE 36 1.234 -0.029 6.231 261 HB ILE 36 HB ILE 36 2.865 -0.662 4.647 262 1HG1 ILE 36 1HG1 ILE 36 3.280 1.662 3.753 263 2HG1 ILE 36 2HG1 ILE 36 3.287 0.393 2.537 264 1HG2 ILE 36 1HG2 ILE 36 0.681 -1.665 4.286 265 2HG2 ILE 36 2HG2 ILE 36 0.272 -0.378 3.150 266 3HG2 ILE 36 3HG2 ILE 36 1.577 -1.504 2.776 267 1HD1 ILE 36 1HD1 ILE 36 0.857 2.031 3.106 268 2HD1 ILE 36 2HD1 ILE 36 2.104 2.553 1.976 269 3HD1 ILE 36 3HD1 ILE 36 1.221 1.055 1.686 270 H THR 37 H THR 37 3.915 0.592 5.650 271 HA THR 37 HA THR 37 4.371 3.387 6.094 272 HB THR 37 HB THR 37 4.956 1.419 8.316 273 HG1 THR 37 HG1 THR 37 3.363 3.743 8.451 274 1HG2 THR 37 1HG2 THR 37 5.775 4.265 7.927 275 2HG2 THR 37 2HG2 THR 37 5.536 3.599 9.543 276 3HG2 THR 37 3HG2 THR 37 6.737 2.889 8.465 277 H LEU 38 H LEU 38 5.178 2.029 4.029 278 HA LEU 38 HA LEU 38 7.382 0.476 3.910 279 1HB LEU 38 1HB LEU 38 5.979 2.050 2.129 280 2HB LEU 38 2HB LEU 38 7.606 2.702 2.045 281 HG LEU 38 HG LEU 38 8.120 0.042 1.865 282 1HD1 LEU 38 1HD1 LEU 38 5.720 -0.489 1.827 283 2HD1 LEU 38 2HD1 LEU 38 5.536 0.509 0.385 284 3HD1 LEU 38 3HD1 LEU 38 6.532 -0.946 0.328 285 1HD2 LEU 38 1HD2 LEU 38 9.009 1.820 0.443 286 2HD2 LEU 38 2HD2 LEU 38 8.438 0.455 -0.515 287 3HD2 LEU 38 3HD2 LEU 38 7.465 1.922 -0.400 288 H GLU 39 H GLU 39 9.658 0.989 3.362 289 HA GLU 39 HA GLU 39 10.842 3.451 4.088 290 1HB GLU 39 1HB GLU 39 10.215 2.809 6.342 291 2HB GLU 39 2HB GLU 39 10.985 1.242 6.141 292 1HG GLU 39 1HG GLU 39 13.152 2.482 5.807 293 2HG GLU 39 2HG GLU 39 12.302 3.935 6.325 294 H THR 40 H THR 40 13.144 3.436 3.884 295 HA THR 40 HA THR 40 14.108 1.148 2.321 296 HB THR 40 HB THR 40 15.774 2.670 1.406 297 HG1 THR 40 HG1 THR 40 16.199 4.544 2.273 298 1HG2 THR 40 1HG2 THR 40 13.143 2.825 0.816 299 2HG2 THR 40 2HG2 THR 40 13.495 4.498 1.246 300 3HG2 THR 40 3HG2 THR 40 14.416 3.703 -0.034 301 H ASP 41 H ASP 41 16.000 3.545 4.079 302 HA ASP 41 HA ASP 41 16.866 1.596 6.042 303 1HB ASP 41 1HB ASP 41 18.316 1.339 3.946 304 2HB ASP 41 2HB ASP 41 18.960 2.932 4.332 305 H LYS 42 H LYS 42 15.543 4.316 5.793 306 HA LYS 42 HA LYS 42 16.529 5.459 8.138 307 1HB LYS 42 1HB LYS 42 18.396 5.950 6.355 308 2HB LYS 42 2HB LYS 42 17.291 7.218 5.839 309 1HG LYS 42 1HG LYS 42 17.857 8.527 7.539 310 2HG LYS 42 2HG LYS 42 17.662 7.220 8.709 311 1HD LYS 42 1HD LYS 42 19.863 6.752 8.734 312 2HD LYS 42 2HD LYS 42 20.034 6.988 6.994 313 1HE LYS 42 1HE LYS 42 21.328 8.680 8.020 314 2HE LYS 42 2HE LYS 42 19.861 9.466 7.436 315 1HZ LYS 42 1HZ LYS 42 19.007 9.020 9.806 316 2HZ LYS 42 2HZ LYS 42 20.639 8.830 10.206 317 3HZ LYS 42 3HZ LYS 42 20.093 10.296 9.562 318 H ALA 43 H ALA 43 15.047 6.148 5.000 319 HA ALA 43 HA ALA 43 13.215 8.050 6.268 320 1HB ALA 43 1HB ALA 43 14.198 7.624 3.525 321 2HB ALA 43 2HB ALA 43 12.504 8.100 3.662 322 3HB ALA 43 3HB ALA 43 13.768 9.116 4.361 323 H THR 44 H THR 44 11.548 7.048 7.223 324 HA THR 44 HA THR 44 10.339 4.712 5.967 325 HB THR 44 HB THR 44 9.270 4.288 7.999 326 HG1 THR 44 HG1 THR 44 9.584 7.047 8.493 327 1HG2 THR 44 1HG2 THR 44 12.003 4.925 8.131 328 2HG2 THR 44 2HG2 THR 44 11.255 5.561 9.596 329 3HG2 THR 44 3HG2 THR 44 11.079 3.855 9.185 330 H MET 45 H MET 45 8.799 5.003 4.510 331 HA MET 45 HA MET 45 7.226 7.464 4.562 332 1HB MET 45 1HB MET 45 8.357 6.010 2.493 333 2HB MET 45 2HB MET 45 6.645 5.626 2.380 334 1HG MET 45 1HG MET 45 7.267 7.547 1.001 335 2HG MET 45 2HG MET 45 6.086 7.966 2.236 336 1HE MET 45 1HE MET 45 6.936 10.040 0.931 337 2HE MET 45 2HE MET 45 6.971 11.009 2.404 338 3HE MET 45 3HE MET 45 8.381 10.963 1.345 339 H ASP 46 H ASP 46 5.060 7.558 4.843 340 HA ASP 46 HA ASP 46 3.680 5.033 5.467 341 1HB ASP 46 1HB ASP 46 3.370 7.743 6.768 342 2HB ASP 46 2HB ASP 46 2.279 6.389 7.049 343 H VAL 47 H VAL 47 1.585 4.764 4.749 344 HA VAL 47 HA VAL 47 0.598 6.836 2.902 345 HB VAL 47 HB VAL 47 0.468 3.836 2.590 346 1HG1 VAL 47 1HG1 VAL 47 -1.411 5.774 1.690 347 2HG1 VAL 47 2HG1 VAL 47 -0.519 5.182 0.288 348 3HG1 VAL 47 3HG1 VAL 47 -1.362 4.046 1.342 349 1HG2 VAL 47 1HG2 VAL 47 1.820 6.026 1.034 350 2HG2 VAL 47 2HG2 VAL 47 2.570 4.671 1.876 351 3HG2 VAL 47 3HG2 VAL 47 1.614 4.386 0.423 352 HA PRO 48 HA PRO 48 -2.937 6.353 5.667 353 1HB PRO 48 1HB PRO 48 -3.941 8.796 5.358 354 2HB PRO 48 2HB PRO 48 -2.440 8.544 6.257 355 1HG PRO 48 1HG PRO 48 -2.843 9.572 3.488 356 2HG PRO 48 2HG PRO 48 -1.646 10.054 4.702 357 1HD PRO 48 1HD PRO 48 -1.219 8.282 2.566 358 2HD PRO 48 2HD PRO 48 -0.161 8.499 3.974 359 H ALA 49 H ALA 49 -2.937 5.383 2.874 360 HA ALA 49 HA ALA 49 -4.381 4.804 1.215 361 1HB ALA 49 1HB ALA 49 -6.649 4.347 1.861 362 2HB ALA 49 2HB ALA 49 -5.577 3.902 3.189 363 3HB ALA 49 3HB ALA 49 -6.503 5.400 3.270 364 H GLU 50 H GLU 50 -6.282 5.547 -0.123 365 HA GLU 50 HA GLU 50 -7.107 8.265 0.041 366 1HB GLU 50 1HB GLU 50 -4.657 8.261 -0.870 367 2HB GLU 50 2HB GLU 50 -5.405 7.708 -2.362 368 1HG GLU 50 1HG GLU 50 -5.635 9.865 -2.844 369 2HG GLU 50 2HG GLU 50 -6.967 9.847 -1.691 370 H VAL 51 H VAL 51 -8.924 6.626 -0.006 371 HA VAL 51 HA VAL 51 -10.240 6.803 -2.504 372 HB VAL 51 HB VAL 51 -10.379 4.081 -2.471 373 1HG1 VAL 51 1HG1 VAL 51 -9.885 5.905 -4.301 374 2HG1 VAL 51 2HG1 VAL 51 -8.229 5.331 -4.103 375 3HG1 VAL 51 3HG1 VAL 51 -9.502 4.206 -4.580 376 1HG2 VAL 51 1HG2 VAL 51 -8.288 4.407 -0.824 377 2HG2 VAL 51 2HG2 VAL 51 -8.427 3.043 -1.933 378 3HG2 VAL 51 3HG2 VAL 51 -7.440 4.436 -2.370 379 H ALA 52 H ALA 52 -12.246 5.241 -2.482 380 HA ALA 52 HA ALA 52 -13.214 4.875 0.265 381 1HB ALA 52 1HB ALA 52 -14.742 6.344 -1.876 382 2HB ALA 52 2HB ALA 52 -15.303 5.985 -0.240 383 3HB ALA 52 3HB ALA 52 -13.949 7.091 -0.479 384 H GLY 53 H GLY 53 -12.880 2.591 -0.344 385 1HA GLY 53 1HA GLY 53 -14.051 1.306 -2.479 386 2HA GLY 53 2HA GLY 53 -15.336 1.479 -1.299 387 H VAL 54 H VAL 54 -13.787 -0.839 -2.444 388 HA VAL 54 HA VAL 54 -12.849 -2.042 0.075 389 HB VAL 54 HB VAL 54 -14.648 -3.337 -1.983 390 1HG1 VAL 54 1HG1 VAL 54 -13.228 -4.421 0.429 391 2HG1 VAL 54 2HG1 VAL 54 -14.715 -5.160 -0.164 392 3HG1 VAL 54 3HG1 VAL 54 -13.295 -5.074 -1.207 393 1HG2 VAL 54 1HG2 VAL 54 -15.130 -2.184 0.733 394 2HG2 VAL 54 2HG2 VAL 54 -16.075 -2.008 -0.745 395 3HG2 VAL 54 3HG2 VAL 54 -16.120 -3.524 0.156 396 H VAL 55 H VAL 55 -11.063 -3.360 -0.099 397 HA VAL 55 HA VAL 55 -9.611 -3.228 -2.579 398 HB VAL 55 HB VAL 55 -8.853 -4.693 -0.055 399 1HG1 VAL 55 1HG1 VAL 55 -7.715 -5.490 -2.111 400 2HG1 VAL 55 2HG1 VAL 55 -7.139 -3.845 -2.390 401 3HG1 VAL 55 3HG1 VAL 55 -6.611 -4.732 -0.961 402 1HG2 VAL 55 1HG2 VAL 55 -9.144 -2.004 -0.302 403 2HG2 VAL 55 2HG2 VAL 55 -8.016 -2.792 0.801 404 3HG2 VAL 55 3HG2 VAL 55 -7.455 -2.214 -0.769 405 H LYS 56 H LYS 56 -8.960 -4.891 -3.869 406 HA LYS 56 HA LYS 56 -10.416 -7.435 -3.540 407 1HB LYS 56 1HB LYS 56 -9.524 -7.008 -6.250 408 2HB LYS 56 2HB LYS 56 -11.155 -7.304 -5.660 409 1HG LYS 56 1HG LYS 56 -9.920 -4.577 -5.536 410 2HG LYS 56 2HG LYS 56 -10.718 -5.168 -6.995 411 1HD LYS 56 1HD LYS 56 -11.989 -5.010 -4.263 412 2HD LYS 56 2HD LYS 56 -12.219 -3.832 -5.557 413 1HE LYS 56 1HE LYS 56 -13.816 -5.085 -6.456 414 2HE LYS 56 2HE LYS 56 -12.709 -6.452 -6.582 415 1HZ LYS 56 1HZ LYS 56 -13.860 -5.897 -3.956 416 2HZ LYS 56 2HZ LYS 56 -14.894 -6.543 -5.127 417 3HZ LYS 56 3HZ LYS 56 -13.490 -7.378 -4.683 418 H GLU 57 H GLU 57 -7.545 -5.823 -4.783 419 HA GLU 57 HA GLU 57 -6.132 -8.364 -4.620 420 1HB GLU 57 1HB GLU 57 -5.969 -6.074 -6.463 421 2HB GLU 57 2HB GLU 57 -4.423 -6.776 -6.001 422 1HG GLU 57 1HG GLU 57 -5.324 -9.000 -6.701 423 2HG GLU 57 2HG GLU 57 -6.734 -8.156 -7.339 424 H VAL 58 H VAL 58 -3.909 -8.328 -3.882 425 HA VAL 58 HA VAL 58 -3.034 -6.048 -2.306 426 HB VAL 58 HB VAL 58 -4.426 -7.226 -0.693 427 1HG1 VAL 58 1HG1 VAL 58 -3.471 -9.523 -2.024 428 2HG1 VAL 58 2HG1 VAL 58 -2.942 -9.637 -0.344 429 3HG1 VAL 58 3HG1 VAL 58 -4.653 -9.431 -0.716 430 1HG2 VAL 58 1HG2 VAL 58 -2.360 -6.193 0.105 431 2HG2 VAL 58 2HG2 VAL 58 -2.757 -7.633 1.044 432 3HG2 VAL 58 3HG2 VAL 58 -1.490 -7.700 -0.183 433 H LYS 59 H LYS 59 -0.972 -5.810 -2.786 434 HA LYS 59 HA LYS 59 0.694 -8.206 -3.152 435 1HB LYS 59 1HB LYS 59 1.135 -5.727 -4.777 436 2HB LYS 59 2HB LYS 59 1.665 -7.374 -5.103 437 1HG LYS 59 1HG LYS 59 -1.014 -7.707 -5.141 438 2HG LYS 59 2HG LYS 59 -0.883 -6.048 -5.724 439 1HD LYS 59 1HD LYS 59 1.038 -7.181 -7.205 440 2HD LYS 59 2HD LYS 59 -0.015 -8.579 -6.978 441 1HE LYS 59 1HE LYS 59 -1.730 -6.459 -7.589 442 2HE LYS 59 2HE LYS 59 -0.359 -6.273 -8.683 443 1HZ LYS 59 1HZ LYS 59 -0.667 -8.688 -9.229 444 2HZ LYS 59 2HZ LYS 59 -2.133 -8.627 -8.388 445 3HZ LYS 59 3HZ LYS 59 -1.906 -7.664 -9.759 446 H VAL 60 H VAL 60 1.017 -7.556 -0.813 447 HA VAL 60 HA VAL 60 3.551 -6.347 -0.531 448 HB VAL 60 HB VAL 60 2.702 -4.208 -0.691 449 1HG1 VAL 60 1HG1 VAL 60 0.222 -5.163 0.725 450 2HG1 VAL 60 2HG1 VAL 60 0.521 -3.491 0.255 451 3HG1 VAL 60 3HG1 VAL 60 0.384 -4.743 -0.980 452 1HG2 VAL 60 1HG2 VAL 60 3.795 -4.616 1.562 453 2HG2 VAL 60 2HG2 VAL 60 2.787 -3.177 1.428 454 3HG2 VAL 60 3HG2 VAL 60 2.170 -4.614 2.242 455 H LYS 61 H LYS 61 4.358 -6.469 1.608 456 HA LYS 61 HA LYS 61 2.821 -7.405 3.800 457 1HB LYS 61 1HB LYS 61 3.532 -9.668 3.961 458 2HB LYS 61 2HB LYS 61 2.922 -9.454 2.326 459 1HG LYS 61 1HG LYS 61 4.837 -10.620 1.908 460 2HG LYS 61 2HG LYS 61 5.443 -8.967 1.788 461 1HD LYS 61 1HD LYS 61 6.910 -9.399 3.400 462 2HD LYS 61 2HD LYS 61 5.579 -9.730 4.511 463 1HE LYS 61 1HE LYS 61 5.539 -12.061 3.399 464 2HE LYS 61 2HE LYS 61 7.152 -11.642 2.823 465 1HZ LYS 61 1HZ LYS 61 7.302 -11.012 5.431 466 2HZ LYS 61 2HZ LYS 61 6.275 -12.356 5.476 467 3HZ LYS 61 3HZ LYS 61 7.807 -12.486 4.771 468 H VAL 62 H VAL 62 4.335 -8.177 5.616 469 HA VAL 62 HA VAL 62 6.470 -6.244 5.802 470 HB VAL 62 HB VAL 62 5.603 -8.326 7.812 471 1HG1 VAL 62 1HG1 VAL 62 7.439 -5.950 7.994 472 2HG1 VAL 62 2HG1 VAL 62 6.723 -6.717 9.411 473 3HG1 VAL 62 3HG1 VAL 62 7.798 -7.638 8.359 474 1HG2 VAL 62 1HG2 VAL 62 4.178 -6.123 6.918 475 2HG2 VAL 62 2HG2 VAL 62 3.914 -7.006 8.422 476 3HG2 VAL 62 3HG2 VAL 62 4.937 -5.569 8.411 477 H GLY 63 H GLY 63 8.014 -6.986 4.306 478 1HA GLY 63 1HA GLY 63 9.315 -9.538 5.028 479 2HA GLY 63 2HA GLY 63 10.251 -8.074 4.771 480 H ASP 64 H ASP 64 9.077 -7.022 2.519 481 HA ASP 64 HA ASP 64 9.880 -9.003 0.514 482 1HB ASP 64 1HB ASP 64 7.976 -8.208 -0.949 483 2HB ASP 64 2HB ASP 64 7.502 -9.184 0.440 484 H LYS 65 H LYS 65 9.893 -7.816 -1.739 485 HA LYS 65 HA LYS 65 11.412 -5.334 -1.337 486 1HB LYS 65 1HB LYS 65 12.274 -7.525 -2.575 487 2HB LYS 65 2HB LYS 65 11.442 -6.789 -3.939 488 1HG LYS 65 1HG LYS 65 13.027 -5.246 -4.218 489 2HG LYS 65 2HG LYS 65 13.165 -4.937 -2.486 490 1HD LYS 65 1HD LYS 65 14.411 -7.148 -2.346 491 2HD LYS 65 2HD LYS 65 14.494 -7.094 -4.108 492 1HE LYS 65 1HE LYS 65 15.757 -5.081 -4.068 493 2HE LYS 65 2HE LYS 65 15.462 -4.856 -2.345 494 1HZ LYS 65 1HZ LYS 65 16.683 -7.084 -2.111 495 2HZ LYS 65 2HZ LYS 65 17.252 -6.785 -3.675 496 3HZ LYS 65 3HZ LYS 65 17.601 -5.699 -2.427 497 H ILE 66 H ILE 66 11.149 -3.597 -2.877 498 HA ILE 66 HA ILE 66 8.658 -3.641 -4.404 499 HB ILE 66 HB ILE 66 8.989 -2.272 -1.902 500 1HG1 ILE 66 1HG1 ILE 66 6.570 -1.824 -2.240 501 2HG1 ILE 66 2HG1 ILE 66 6.721 -2.436 -3.886 502 1HG2 ILE 66 1HG2 ILE 66 9.775 -0.381 -3.355 503 2HG2 ILE 66 2HG2 ILE 66 8.175 -0.383 -4.093 504 3HG2 ILE 66 3HG2 ILE 66 8.351 -0.040 -2.375 505 1HD1 ILE 66 1HD1 ILE 66 7.683 -4.189 -1.716 506 2HD1 ILE 66 2HD1 ILE 66 5.940 -3.946 -1.847 507 3HD1 ILE 66 3HD1 ILE 66 6.845 -4.587 -3.217 508 H SER 67 H SER 67 8.444 -1.486 -5.669 509 HA SER 67 HA SER 67 11.011 -0.346 -6.442 510 1HB SER 67 1HB SER 67 10.370 -0.747 -8.901 511 2HB SER 67 2HB SER 67 10.994 -2.124 -7.995 512 HG SER 67 HG SER 67 9.172 -2.801 -9.063 513 H GLU 68 H GLU 68 9.106 0.971 -5.067 514 HA GLU 68 HA GLU 68 7.563 2.671 -5.063 515 1HB GLU 68 1HB GLU 68 9.506 3.525 -7.212 516 2HB GLU 68 2HB GLU 68 8.313 4.595 -6.489 517 1HG GLU 68 1HG GLU 68 9.345 4.433 -4.352 518 2HG GLU 68 2HG GLU 68 10.414 3.144 -4.906 519 H GLY 69 H GLY 69 6.222 0.761 -6.246 520 1HA GLY 69 1HA GLY 69 5.247 1.804 -8.819 521 2HA GLY 69 2HA GLY 69 4.111 1.556 -7.500 522 H GLY 70 H GLY 70 4.168 -0.709 -6.538 523 1HA GLY 70 1HA GLY 70 4.791 -3.052 -7.031 524 2HA GLY 70 2HA GLY 70 4.554 -2.662 -8.728 525 H LEU 71 H LEU 71 2.139 -1.053 -8.119 526 HA LEU 71 HA LEU 71 -0.115 -1.299 -7.825 527 1HB LEU 71 1HB LEU 71 0.223 -2.543 -9.908 528 2HB LEU 71 2HB LEU 71 0.534 -4.007 -8.995 529 HG LEU 71 HG LEU 71 -1.719 -4.209 -8.326 530 1HD1 LEU 71 1HD1 LEU 71 -1.809 -1.317 -8.900 531 2HD1 LEU 71 2HD1 LEU 71 -3.276 -2.231 -9.254 532 3HD1 LEU 71 3HD1 LEU 71 -2.597 -2.250 -7.627 533 1HD2 LEU 71 1HD2 LEU 71 -1.275 -3.487 -11.172 534 2HD2 LEU 71 2HD2 LEU 71 -1.761 -5.023 -10.456 535 3HD2 LEU 71 3HD2 LEU 71 -2.935 -3.716 -10.624 536 H ILE 72 H ILE 72 0.876 -1.476 -5.449 537 HA ILE 72 HA ILE 72 0.877 -3.744 -3.948 538 HB ILE 72 HB ILE 72 0.193 -0.910 -3.328 539 1HG1 ILE 72 1HG1 ILE 72 2.147 -2.469 -1.759 540 2HG1 ILE 72 2HG1 ILE 72 2.506 -2.309 -3.475 541 1HG2 ILE 72 1HG2 ILE 72 -0.594 -3.204 -1.640 542 2HG2 ILE 72 2HG2 ILE 72 0.274 -1.903 -0.823 543 3HG2 ILE 72 3HG2 ILE 72 -1.223 -1.556 -1.686 544 1HD1 ILE 72 1HD1 ILE 72 1.710 0.198 -2.253 545 2HD1 ILE 72 2HD1 ILE 72 3.148 -0.512 -1.516 546 3HD1 ILE 72 3HD1 ILE 72 3.113 -0.187 -3.248 547 H VAL 73 H VAL 73 -1.969 -1.663 -3.534 548 HA VAL 73 HA VAL 73 -3.633 -4.088 -3.744 549 HB VAL 73 HB VAL 73 -5.103 -3.198 -2.023 550 1HG1 VAL 73 1HG1 VAL 73 -2.492 -4.158 -1.634 551 2HG1 VAL 73 2HG1 VAL 73 -2.734 -2.885 -0.439 552 3HG1 VAL 73 3HG1 VAL 73 -3.853 -4.247 -0.516 553 1HG2 VAL 73 1HG2 VAL 73 -3.152 -0.902 -1.934 554 2HG2 VAL 73 2HG2 VAL 73 -4.863 -0.838 -2.359 555 3HG2 VAL 73 3HG2 VAL 73 -4.379 -1.210 -0.705 556 H VAL 74 H VAL 74 -5.882 -3.729 -4.284 557 HA VAL 74 HA VAL 74 -6.362 -1.288 -5.869 558 HB VAL 74 HB VAL 74 -7.122 -4.115 -6.654 559 1HG1 VAL 74 1HG1 VAL 74 -8.459 -1.803 -7.275 560 2HG1 VAL 74 2HG1 VAL 74 -7.380 -2.011 -8.655 561 3HG1 VAL 74 3HG1 VAL 74 -8.500 -3.298 -8.210 562 1HG2 VAL 74 1HG2 VAL 74 -4.848 -2.369 -7.343 563 2HG2 VAL 74 2HG2 VAL 74 -4.971 -4.129 -7.341 564 3HG2 VAL 74 3HG2 VAL 74 -5.620 -3.201 -8.693 565 H VAL 75 H VAL 75 -8.106 -0.250 -5.120 566 HA VAL 75 HA VAL 75 -10.125 -1.783 -3.640 567 HB VAL 75 HB VAL 75 -10.655 0.280 -2.475 568 1HG1 VAL 75 1HG1 VAL 75 -8.328 -1.224 -2.197 569 2HG1 VAL 75 2HG1 VAL 75 -7.815 0.454 -2.033 570 3HG1 VAL 75 3HG1 VAL 75 -9.076 -0.188 -0.981 571 1HG2 VAL 75 1HG2 VAL 75 -9.566 1.533 -4.647 572 2HG2 VAL 75 2HG2 VAL 75 -9.992 2.315 -3.128 573 3HG2 VAL 75 3HG2 VAL 75 -8.335 1.781 -3.411 574 H GLU 76 H GLU 76 -12.331 -1.146 -3.777 575 HA GLU 76 HA GLU 76 -13.243 -0.697 -6.415 576 1HB GLU 76 1HB GLU 76 -14.365 -1.674 -4.102 577 2HB GLU 76 2HB GLU 76 -15.154 -0.108 -4.256 578 1HG GLU 76 1HG GLU 76 -15.214 -1.284 -6.807 579 2HG GLU 76 2HG GLU 76 -15.673 -2.540 -5.657 580 H ALA 77 H ALA 77 -12.618 1.347 -3.684 581 HA ALA 77 HA ALA 77 -12.664 3.571 -3.332 582 1HB ALA 77 1HB ALA 77 -11.071 3.275 -5.267 583 2HB ALA 77 2HB ALA 77 -11.710 4.895 -4.994 584 3HB ALA 77 3HB ALA 77 -12.368 3.894 -6.288 585 H GLU 78 H GLU 78 -13.758 5.609 -3.637 586 HA GLU 78 HA GLU 78 -15.562 6.950 -3.975 587 1HB GLU 78 1HB GLU 78 -16.650 4.922 -5.901 588 2HB GLU 78 2HB GLU 78 -16.980 6.646 -5.836 589 1HG GLU 78 1HG GLU 78 -15.117 7.189 -6.976 590 2HG GLU 78 2HG GLU 78 -14.165 5.894 -6.250 591 H GLY 79 H GLY 79 -16.857 3.657 -4.357 592 1HA GLY 79 1HA GLY 79 -18.276 3.943 -1.818 593 2HA GLY 79 2HA GLY 79 -18.097 2.461 -2.745 594 H THR 80 H THR 80 -20.510 2.731 -1.869 595 HA THR 80 HA THR 80 -22.298 4.381 -3.260 596 HB THR 80 HB THR 80 -21.755 3.268 -5.279 597 HG1 THR 80 HG1 THR 80 -23.933 3.397 -5.186 598 1HG2 THR 80 1HG2 THR 80 -20.763 1.232 -3.965 599 2HG2 THR 80 2HG2 THR 80 -22.365 0.550 -4.249 600 3HG2 THR 80 3HG2 THR 80 -21.363 1.048 -5.614 601 H ALA 81 H ALA 81 -21.945 1.039 -2.091 602 HA ALA 81 HA ALA 81 -24.105 1.517 -0.189 603 1HB ALA 81 1HB ALA 81 -25.228 0.587 -2.148 604 2HB ALA 81 2HB ALA 81 -25.274 -0.540 -0.793 605 3HB ALA 81 3HB ALA 81 -24.141 -0.801 -2.119 No H/Q in entry = 605 Start of MODEL 9 1 H1 ALA 1 H1 ALA 1 -13.239 5.299 -10.585 2 H2 ALA 1 H2 ALA 1 -14.769 5.240 -11.354 3 H3 ALA 1 H3 ALA 1 -14.658 5.065 -9.650 4 HA ALA 1 HA ALA 1 -15.023 2.965 -10.552 5 1HB ALA 1 1HB ALA 1 -14.084 2.152 -12.448 6 2HB ALA 1 2HB ALA 1 -12.548 2.974 -12.174 7 3HB ALA 1 3HB ALA 1 -13.927 3.871 -12.809 8 H LEU 2 H LEU 2 -13.105 1.071 -10.634 9 HA LEU 2 HA LEU 2 -12.226 0.849 -8.019 10 1HB LEU 2 1HB LEU 2 -11.234 -0.445 -10.551 11 2HB LEU 2 2HB LEU 2 -10.602 -0.870 -8.972 12 HG LEU 2 HG LEU 2 -13.345 -1.092 -8.645 13 1HD1 LEU 2 1HD1 LEU 2 -12.806 -1.227 -11.423 14 2HD1 LEU 2 2HD1 LEU 2 -13.199 -2.854 -10.867 15 3HD1 LEU 2 3HD1 LEU 2 -14.326 -1.528 -10.581 16 1HD2 LEU 2 1HD2 LEU 2 -11.526 -2.559 -7.791 17 2HD2 LEU 2 2HD2 LEU 2 -12.908 -3.440 -8.440 18 3HD2 LEU 2 3HD2 LEU 2 -11.430 -3.296 -9.390 19 H VAL 3 H VAL 3 -9.791 0.451 -7.497 20 HA VAL 3 HA VAL 3 -8.094 2.509 -8.693 21 HB VAL 3 HB VAL 3 -8.954 2.423 -5.817 22 1HG1 VAL 3 1HG1 VAL 3 -6.509 2.324 -5.739 23 2HG1 VAL 3 2HG1 VAL 3 -6.418 3.728 -6.805 24 3HG1 VAL 3 3HG1 VAL 3 -7.107 3.892 -5.191 25 1HG2 VAL 3 1HG2 VAL 3 -10.100 3.921 -7.378 26 2HG2 VAL 3 2HG2 VAL 3 -9.230 4.812 -6.130 27 3HG2 VAL 3 3HG2 VAL 3 -8.559 4.693 -7.756 28 H GLU 4 H GLU 4 -5.856 2.217 -8.312 29 HA GLU 4 HA GLU 4 -5.098 -0.410 -7.224 30 1HB GLU 4 1HB GLU 4 -4.080 0.885 -9.760 31 2HB GLU 4 2HB GLU 4 -3.388 -0.557 -9.033 32 1HG GLU 4 1HG GLU 4 -5.074 -1.890 -9.729 33 2HG GLU 4 2HG GLU 4 -6.286 -0.618 -9.588 34 H LEU 5 H LEU 5 -4.166 0.239 -5.345 35 HA LEU 5 HA LEU 5 -2.724 2.613 -4.970 36 1HB LEU 5 1HB LEU 5 -3.340 0.241 -3.434 37 2HB LEU 5 2HB LEU 5 -1.701 0.782 -3.124 38 HG LEU 5 HG LEU 5 -3.994 2.714 -2.995 39 1HD1 LEU 5 1HD1 LEU 5 -4.357 0.635 -1.541 40 2HD1 LEU 5 2HD1 LEU 5 -2.996 1.231 -0.590 41 3HD1 LEU 5 3HD1 LEU 5 -4.449 2.216 -0.766 42 1HD2 LEU 5 1HD2 LEU 5 -1.245 2.968 -2.771 43 2HD2 LEU 5 2HD2 LEU 5 -2.456 4.146 -2.261 44 3HD2 LEU 5 3HD2 LEU 5 -1.818 2.978 -1.104 45 H LYS 6 H LYS 6 -0.442 2.890 -4.530 46 HA LYS 6 HA LYS 6 1.329 0.926 -5.776 47 1HB LYS 6 1HB LYS 6 1.076 3.815 -6.604 48 2HB LYS 6 2HB LYS 6 2.491 2.841 -6.974 49 1HG LYS 6 1HG LYS 6 0.527 1.227 -7.888 50 2HG LYS 6 2HG LYS 6 -0.187 2.816 -8.172 51 1HD LYS 6 1HD LYS 6 2.230 3.316 -9.138 52 2HD LYS 6 2HD LYS 6 2.229 1.568 -9.374 53 1HE LYS 6 1HE LYS 6 1.216 2.048 -11.318 54 2HE LYS 6 2HE LYS 6 -0.228 2.237 -10.324 55 1HZ LYS 6 1HZ LYS 6 1.075 4.656 -10.196 56 2HZ LYS 6 2HZ LYS 6 1.188 4.193 -11.820 57 3HZ LYS 6 3HZ LYS 6 -0.326 4.306 -11.075 58 H VAL 7 H VAL 7 3.414 0.934 -5.028 59 HA VAL 7 HA VAL 7 3.951 1.589 -2.421 60 HB VAL 7 HB VAL 7 5.924 1.398 -4.703 61 1HG1 VAL 7 1HG1 VAL 7 6.722 2.488 -2.515 62 2HG1 VAL 7 2HG1 VAL 7 6.569 0.874 -1.829 63 3HG1 VAL 7 3HG1 VAL 7 7.667 1.156 -3.177 64 1HG2 VAL 7 1HG2 VAL 7 4.422 -0.564 -4.331 65 2HG2 VAL 7 2HG2 VAL 7 6.142 -0.908 -4.148 66 3HG2 VAL 7 3HG2 VAL 7 5.124 -0.718 -2.721 67 HA PRO 8 HA PRO 8 4.482 5.987 -2.372 68 1HB PRO 8 1HB PRO 8 6.003 6.225 -0.125 69 2HB PRO 8 2HB PRO 8 4.261 5.929 -0.095 70 1HG PRO 8 1HG PRO 8 6.518 4.003 0.265 71 2HG PRO 8 2HG PRO 8 4.966 4.083 1.119 72 1HD PRO 8 1HD PRO 8 5.469 2.308 -0.873 73 2HD PRO 8 2HD PRO 8 3.851 2.953 -0.543 74 H ASP 9 H ASP 9 6.579 7.435 -1.519 75 HA ASP 9 HA ASP 9 8.594 6.859 -3.541 76 1HB ASP 9 1HB ASP 9 7.481 9.229 -2.296 77 2HB ASP 9 2HB ASP 9 9.242 9.267 -2.298 78 H ILE 10 H ILE 10 8.175 6.460 -0.210 79 HA ILE 10 HA ILE 10 9.602 6.279 1.583 80 HB ILE 10 HB ILE 10 11.443 4.469 0.883 81 1HG1 ILE 10 1HG1 ILE 10 10.273 2.991 -0.856 82 2HG1 ILE 10 2HG1 ILE 10 9.364 4.429 -1.305 83 1HG2 ILE 10 1HG2 ILE 10 9.501 4.295 2.456 84 2HG2 ILE 10 2HG2 ILE 10 8.521 3.782 1.081 85 3HG2 ILE 10 3HG2 ILE 10 9.899 2.809 1.595 86 1HD1 ILE 10 1HD1 ILE 10 11.928 5.340 -1.351 87 2HD1 ILE 10 2HD1 ILE 10 12.110 3.676 -1.910 88 3HD1 ILE 10 3HD1 ILE 10 11.016 4.774 -2.751 89 H GLY 11 H GLY 11 10.371 8.543 -0.015 90 1HA GLY 11 1HA GLY 11 12.588 9.494 1.140 91 2HA GLY 11 2HA GLY 11 12.189 9.896 -0.520 92 H GLY 12 H GLY 12 12.629 7.151 -1.477 93 1HA GLY 12 1HA GLY 12 14.819 5.783 -1.107 94 2HA GLY 12 2HA GLY 12 15.559 7.305 -1.578 95 H HIS 13 H HIS 13 15.122 4.430 -2.749 96 HA HIS 13 HA HIS 13 14.226 5.297 -5.413 97 1HB HIS 13 1HB HIS 13 16.052 4.160 -6.472 98 2HB HIS 13 2HB HIS 13 16.731 5.208 -5.231 99 HD1 HIS 13 HD1 HIS 13 18.524 3.023 -6.088 100 HD2 HIS 13 HD2 HIS 13 15.677 2.469 -3.112 101 HE1 HIS 13 HE1 HIS 13 19.331 1.058 -4.744 102 HE2 HIS 13 HE2 HIS 13 17.553 0.692 -2.996 103 H GLU 14 H GLU 14 14.666 2.829 -6.690 104 HA GLU 14 HA GLU 14 12.312 1.439 -5.944 105 1HB GLU 14 1HB GLU 14 14.542 0.577 -7.792 106 2HB GLU 14 2HB GLU 14 12.954 -0.170 -7.689 107 1HG GLU 14 1HG GLU 14 12.287 2.418 -8.145 108 2HG GLU 14 2HG GLU 14 13.803 2.287 -9.037 109 H ASN 15 H ASN 15 12.574 -1.125 -5.917 110 HA ASN 15 HA ASN 15 12.877 -2.835 -4.427 111 1HB ASN 15 1HB ASN 15 15.288 -3.488 -4.176 112 2HB ASN 15 2HB ASN 15 14.771 -3.232 -5.838 113 1HD2 ASN 15 2HD2 ASN 15 16.903 -2.293 -3.359 114 2HD2 ASN 15 1HD2 ASN 15 17.733 -1.049 -4.224 115 H VAL 16 H VAL 16 11.966 -2.209 -2.519 116 HA VAL 16 HA VAL 16 13.837 -1.483 -0.403 117 HB VAL 16 HB VAL 16 12.305 0.231 0.519 118 1HG1 VAL 16 1HG1 VAL 16 13.493 0.681 -2.205 119 2HG1 VAL 16 2HG1 VAL 16 12.811 1.987 -1.235 120 3HG1 VAL 16 3HG1 VAL 16 14.187 1.065 -0.630 121 1HG2 VAL 16 1HG2 VAL 16 10.381 -0.743 -1.019 122 2HG2 VAL 16 2HG2 VAL 16 10.387 0.939 -0.496 123 3HG2 VAL 16 3HG2 VAL 16 10.953 0.516 -2.111 124 H ASP 17 H ASP 17 13.359 -2.430 1.515 125 HA ASP 17 HA ASP 17 11.393 -4.488 1.530 126 1HB ASP 17 1HB ASP 17 13.631 -4.506 2.737 127 2HB ASP 17 2HB ASP 17 12.888 -3.452 3.936 128 H ILE 18 H ILE 18 9.335 -4.421 2.139 129 HA ILE 18 HA ILE 18 7.987 -2.084 2.812 130 HB ILE 18 HB ILE 18 7.308 -5.002 3.038 131 1HG1 ILE 18 1HG1 ILE 18 5.567 -3.181 1.547 132 2HG1 ILE 18 2HG1 ILE 18 7.232 -3.194 0.976 133 1HG2 ILE 18 1HG2 ILE 18 5.507 -2.744 3.902 134 2HG2 ILE 18 2HG2 ILE 18 5.006 -4.417 3.666 135 3HG2 ILE 18 3HG2 ILE 18 6.169 -4.017 4.927 136 1HD1 ILE 18 1HD1 ILE 18 6.230 -5.867 1.440 137 2HD1 ILE 18 2HD1 ILE 18 5.240 -4.971 0.287 138 3HD1 ILE 18 3HD1 ILE 18 6.970 -5.167 0.000 139 H ILE 19 H ILE 19 6.758 -1.729 4.946 140 HA ILE 19 HA ILE 19 8.274 -2.774 7.218 141 HB ILE 19 HB ILE 19 9.358 -0.928 7.778 142 1HG1 ILE 19 1HG1 ILE 19 8.024 1.420 7.596 143 2HG1 ILE 19 2HG1 ILE 19 6.672 0.318 7.784 144 1HG2 ILE 19 1HG2 ILE 19 8.453 -0.208 5.061 145 2HG2 ILE 19 2HG2 ILE 19 9.167 1.068 6.032 146 3HG2 ILE 19 3HG2 ILE 19 10.074 -0.407 5.713 147 1HD1 ILE 19 1HD1 ILE 19 7.941 -0.615 9.787 148 2HD1 ILE 19 2HD1 ILE 19 8.952 0.824 9.650 149 3HD1 ILE 19 3HD1 ILE 19 7.220 0.986 9.948 150 H ALA 20 H ALA 20 5.390 -2.642 5.996 151 HA ALA 20 HA ALA 20 4.036 -3.145 8.387 152 1HB ALA 20 1HB ALA 20 4.388 -0.603 8.481 153 2HB ALA 20 2HB ALA 20 3.140 -0.532 7.238 154 3HB ALA 20 3HB ALA 20 2.776 -1.237 8.812 155 H VAL 21 H VAL 21 1.962 -3.933 8.045 156 HA VAL 21 HA VAL 21 0.907 -3.811 5.311 157 HB VAL 21 HB VAL 21 2.201 -5.915 5.531 158 1HG1 VAL 21 1HG1 VAL 21 1.520 -6.068 8.047 159 2HG1 VAL 21 2HG1 VAL 21 0.135 -6.959 7.415 160 3HG1 VAL 21 3HG1 VAL 21 1.772 -7.538 7.107 161 1HG2 VAL 21 1HG2 VAL 21 -0.213 -5.541 4.370 162 2HG2 VAL 21 2HG2 VAL 21 0.733 -7.022 4.229 163 3HG2 VAL 21 3HG2 VAL 21 -0.564 -6.915 5.419 164 H GLU 22 H GLU 22 -1.176 -3.279 5.317 165 HA GLU 22 HA GLU 22 -2.936 -4.251 7.421 166 1HB GLU 22 1HB GLU 22 -3.041 -1.318 6.822 167 2HB GLU 22 2HB GLU 22 -3.636 -2.186 8.229 168 1HG GLU 22 1HG GLU 22 -0.708 -1.923 7.633 169 2HG GLU 22 2HG GLU 22 -1.602 -0.711 8.549 170 H VAL 23 H VAL 23 -2.782 -4.917 4.692 171 HA VAL 23 HA VAL 23 -5.283 -3.733 3.672 172 HB VAL 23 HB VAL 23 -4.402 -4.491 1.391 173 1HG1 VAL 23 1HG1 VAL 23 -3.326 -2.169 2.957 174 2HG1 VAL 23 2HG1 VAL 23 -2.918 -2.400 1.257 175 3HG1 VAL 23 3HG1 VAL 23 -4.602 -2.191 1.739 176 1HG2 VAL 23 1HG2 VAL 23 -2.500 -5.786 2.546 177 2HG2 VAL 23 2HG2 VAL 23 -2.121 -4.871 1.087 178 3HG2 VAL 23 3HG2 VAL 23 -1.704 -4.217 2.671 179 H ASN 24 H ASN 24 -6.882 -5.093 3.894 180 HA ASN 24 HA ASN 24 -6.402 -7.935 3.303 181 1HB ASN 24 1HB ASN 24 -8.547 -7.009 5.190 182 2HB ASN 24 2HB ASN 24 -7.845 -8.614 5.017 183 1HD2 ASN 24 2HD2 ASN 24 -5.444 -8.692 5.483 184 2HD2 ASN 24 1HD2 ASN 24 -4.902 -7.814 6.868 185 H VAL 25 H VAL 25 -7.096 -7.970 1.258 186 HA VAL 25 HA VAL 25 -8.974 -6.623 -0.099 187 HB VAL 25 HB VAL 25 -9.294 -8.546 -1.535 188 1HG1 VAL 25 1HG1 VAL 25 -7.165 -7.302 -1.629 189 2HG1 VAL 25 2HG1 VAL 25 -6.462 -8.476 -0.515 190 3HG1 VAL 25 3HG1 VAL 25 -6.995 -8.988 -2.116 191 1HG2 VAL 25 1HG2 VAL 25 -8.475 -10.021 0.888 192 2HG2 VAL 25 2HG2 VAL 25 -9.626 -10.461 -0.374 193 3HG2 VAL 25 3HG2 VAL 25 -7.895 -10.650 -0.654 194 H GLY 26 H GLY 26 -10.973 -6.060 0.457 195 1HA GLY 26 1HA GLY 26 -12.742 -8.151 1.566 196 2HA GLY 26 2HA GLY 26 -13.291 -6.897 0.466 197 H ASP 27 H ASP 27 -11.464 -4.979 1.994 198 HA ASP 27 HA ASP 27 -13.305 -4.538 4.251 199 1HB ASP 27 1HB ASP 27 -10.414 -4.776 4.231 200 2HB ASP 27 2HB ASP 27 -10.923 -3.224 4.890 201 H THR 28 H THR 28 -13.998 -2.457 4.622 202 HA THR 28 HA THR 28 -14.024 -0.697 2.399 203 HB THR 28 HB THR 28 -14.815 0.112 5.182 204 HG1 THR 28 HG1 THR 28 -15.803 -1.825 5.030 205 1HG2 THR 28 1HG2 THR 28 -15.529 0.935 2.442 206 2HG2 THR 28 2HG2 THR 28 -16.834 0.884 3.627 207 3HG2 THR 28 3HG2 THR 28 -15.412 1.883 3.924 208 H ILE 29 H ILE 29 -12.675 0.887 1.875 209 HA ILE 29 HA ILE 29 -10.657 1.693 3.848 210 HB ILE 29 HB ILE 29 -9.205 2.290 2.024 211 1HG1 ILE 29 1HG1 ILE 29 -11.678 1.823 0.392 212 2HG1 ILE 29 2HG1 ILE 29 -10.596 3.205 0.391 213 1HG2 ILE 29 1HG2 ILE 29 -9.990 -0.285 2.629 214 2HG2 ILE 29 2HG2 ILE 29 -10.027 -0.247 0.865 215 3HG2 ILE 29 3HG2 ILE 29 -8.547 0.177 1.726 216 1HD1 ILE 29 1HD1 ILE 29 -8.885 1.482 -0.577 217 2HD1 ILE 29 2HD1 ILE 29 -10.350 0.605 -1.014 218 3HD1 ILE 29 3HD1 ILE 29 -10.094 2.242 -1.620 219 H ALA 30 H ALA 30 -9.810 3.980 3.480 220 HA ALA 30 HA ALA 30 -11.983 5.806 2.718 221 1HB ALA 30 1HB ALA 30 -10.313 6.297 5.163 222 2HB ALA 30 2HB ALA 30 -11.824 7.070 4.684 223 3HB ALA 30 3HB ALA 30 -11.826 5.393 5.232 224 H VAL 31 H VAL 31 -10.980 8.190 2.991 225 HA VAL 31 HA VAL 31 -8.666 8.193 1.209 226 HB VAL 31 HB VAL 31 -10.235 10.618 2.053 227 1HG1 VAL 31 1HG1 VAL 31 -8.050 10.098 0.269 228 2HG1 VAL 31 2HG1 VAL 31 -9.426 10.736 -0.630 229 3HG1 VAL 31 3HG1 VAL 31 -8.770 11.639 0.734 230 1HG2 VAL 31 1HG2 VAL 31 -11.252 8.376 0.641 231 2HG2 VAL 31 2HG2 VAL 31 -12.038 9.922 0.960 232 3HG2 VAL 31 3HG2 VAL 31 -11.077 9.707 -0.503 233 H ASP 32 H ASP 32 -8.298 7.553 4.010 234 HA ASP 32 HA ASP 32 -6.005 9.002 4.581 235 1HB ASP 32 1HB ASP 32 -6.843 10.323 6.580 236 2HB ASP 32 2HB ASP 32 -7.283 10.962 4.999 237 H ASP 33 H ASP 33 -6.118 6.472 4.730 238 HA ASP 33 HA ASP 33 -6.129 5.853 7.591 239 1HB ASP 33 1HB ASP 33 -7.103 3.545 6.889 240 2HB ASP 33 2HB ASP 33 -8.199 4.910 7.087 241 H THR 34 H THR 34 -4.046 5.408 7.941 242 HA THR 34 HA THR 34 -2.133 4.644 6.133 243 HB THR 34 HB THR 34 -1.214 3.401 8.326 244 HG1 THR 34 HG1 THR 34 -2.915 3.744 9.656 245 1HG2 THR 34 1HG2 THR 34 -0.131 5.269 7.181 246 2HG2 THR 34 2HG2 THR 34 -1.244 6.381 7.980 247 3HG2 THR 34 3HG2 THR 34 -0.100 5.442 8.938 248 H LEU 35 H LEU 35 -1.993 2.997 4.842 249 HA LEU 35 HA LEU 35 -3.280 0.470 5.538 250 1HB LEU 35 1HB LEU 35 -2.091 1.502 2.962 251 2HB LEU 35 2HB LEU 35 -2.713 -0.127 3.157 252 HG LEU 35 HG LEU 35 -4.312 2.424 3.389 253 1HD1 LEU 35 1HD1 LEU 35 -3.645 0.681 1.178 254 2HD1 LEU 35 2HD1 LEU 35 -5.388 0.785 1.431 255 3HD1 LEU 35 3HD1 LEU 35 -4.445 2.252 1.177 256 1HD2 LEU 35 1HD2 LEU 35 -5.011 -0.453 3.876 257 2HD2 LEU 35 2HD2 LEU 35 -5.320 0.952 4.896 258 3HD2 LEU 35 3HD2 LEU 35 -6.231 0.729 3.403 259 H ILE 36 H ILE 36 -0.141 1.796 4.574 260 HA ILE 36 HA ILE 36 1.174 -0.322 6.060 261 HB ILE 36 HB ILE 36 2.743 -0.875 4.208 262 1HG1 ILE 36 1HG1 ILE 36 2.290 -0.375 1.945 263 2HG1 ILE 36 2HG1 ILE 36 0.693 0.265 2.311 264 1HG2 ILE 36 1HG2 ILE 36 0.438 -2.012 4.861 265 2HG2 ILE 36 2HG2 ILE 36 0.093 -1.636 3.175 266 3HG2 ILE 36 3HG2 ILE 36 1.487 -2.633 3.588 267 1HD1 ILE 36 1HD1 ILE 36 3.219 1.591 3.244 268 2HD1 ILE 36 2HD1 ILE 36 2.493 1.919 1.671 269 3HD1 ILE 36 3HD1 ILE 36 1.593 2.269 3.149 270 H THR 37 H THR 37 3.732 0.032 5.481 271 HA THR 37 HA THR 37 4.387 2.846 5.384 272 HB THR 37 HB THR 37 4.940 1.122 7.805 273 HG1 THR 37 HG1 THR 37 3.876 2.849 8.860 274 1HG2 THR 37 1HG2 THR 37 6.783 2.848 6.856 275 2HG2 THR 37 2HG2 THR 37 5.808 3.921 7.859 276 3HG2 THR 37 3HG2 THR 37 6.546 2.484 8.564 277 H LEU 38 H LEU 38 5.805 2.768 3.767 278 HA LEU 38 HA LEU 38 7.616 0.504 3.505 279 1HB LEU 38 1HB LEU 38 6.926 2.834 1.742 280 2HB LEU 38 2HB LEU 38 8.259 1.757 1.373 281 HG LEU 38 HG LEU 38 6.496 0.950 0.082 282 1HD1 LEU 38 1HD1 LEU 38 7.625 -0.805 1.396 283 2HD1 LEU 38 2HD1 LEU 38 6.353 -0.677 2.610 284 3HD1 LEU 38 3HD1 LEU 38 5.963 -1.218 0.978 285 1HD2 LEU 38 1HD2 LEU 38 4.875 2.280 1.832 286 2HD2 LEU 38 2HD2 LEU 38 4.326 1.240 0.516 287 3HD2 LEU 38 3HD2 LEU 38 4.473 0.591 2.150 288 H GLU 39 H GLU 39 9.904 0.737 3.327 289 HA GLU 39 HA GLU 39 11.112 3.289 3.939 290 1HB GLU 39 1HB GLU 39 10.492 2.479 6.179 291 2HB GLU 39 2HB GLU 39 11.391 0.996 5.890 292 1HG GLU 39 1HG GLU 39 13.451 2.350 5.643 293 2HG GLU 39 2HG GLU 39 12.516 3.779 6.085 294 H THR 40 H THR 40 13.353 3.341 3.577 295 HA THR 40 HA THR 40 14.371 0.996 2.118 296 HB THR 40 HB THR 40 15.513 2.411 0.650 297 HG1 THR 40 HG1 THR 40 16.262 4.327 1.175 298 1HG2 THR 40 1HG2 THR 40 12.824 2.828 0.915 299 2HG2 THR 40 2HG2 THR 40 13.478 4.464 0.970 300 3HG2 THR 40 3HG2 THR 40 13.835 3.419 -0.405 301 H ASP 41 H ASP 41 15.655 3.820 3.870 302 HA ASP 41 HA ASP 41 17.123 2.239 5.716 303 1HB ASP 41 1HB ASP 41 18.444 2.017 3.526 304 2HB ASP 41 2HB ASP 41 18.864 3.712 3.748 305 H LYS 42 H LYS 42 16.867 5.351 4.057 306 HA LYS 42 HA LYS 42 17.114 6.668 6.676 307 1HB LYS 42 1HB LYS 42 19.100 6.849 4.915 308 2HB LYS 42 2HB LYS 42 18.069 8.107 4.249 309 1HG LYS 42 1HG LYS 42 19.504 9.233 5.696 310 2HG LYS 42 2HG LYS 42 18.006 9.065 6.613 311 1HD LYS 42 1HD LYS 42 19.019 6.968 7.616 312 2HD LYS 42 2HD LYS 42 20.548 7.480 6.897 313 1HE LYS 42 1HE LYS 42 20.911 8.902 8.564 314 2HE LYS 42 2HE LYS 42 19.350 9.676 8.295 315 1HZ LYS 42 1HZ LYS 42 19.616 7.149 9.813 316 2HZ LYS 42 2HZ LYS 42 19.733 8.663 10.557 317 3HZ LYS 42 3HZ LYS 42 18.302 8.213 9.775 318 H ALA 43 H ALA 43 14.714 5.895 5.396 319 HA ALA 43 HA ALA 43 13.220 8.255 5.580 320 1HB ALA 43 1HB ALA 43 13.553 7.334 2.730 321 2HB ALA 43 2HB ALA 43 14.344 8.751 3.420 322 3HB ALA 43 3HB ALA 43 12.586 8.690 3.306 323 H THR 44 H THR 44 11.364 7.511 6.355 324 HA THR 44 HA THR 44 10.344 4.942 5.334 325 HB THR 44 HB THR 44 9.488 4.432 7.439 326 HG1 THR 44 HG1 THR 44 9.051 5.942 9.001 327 1HG2 THR 44 1HG2 THR 44 12.159 5.201 7.365 328 2HG2 THR 44 2HG2 THR 44 11.512 5.910 8.845 329 3HG2 THR 44 3HG2 THR 44 11.372 4.174 8.565 330 H MET 45 H MET 45 8.596 5.074 4.106 331 HA MET 45 HA MET 45 6.873 7.444 4.352 332 1HB MET 45 1HB MET 45 7.780 5.800 2.087 333 2HB MET 45 2HB MET 45 6.072 6.218 2.044 334 1HG MET 45 1HG MET 45 7.609 8.531 2.729 335 2HG MET 45 2HG MET 45 8.261 7.793 1.267 336 1HE MET 45 1HE MET 45 5.262 9.251 3.087 337 2HE MET 45 2HE MET 45 4.044 9.515 1.840 338 3HE MET 45 3HE MET 45 4.355 7.885 2.437 339 H ASP 46 H ASP 46 4.589 7.199 4.246 340 HA ASP 46 HA ASP 46 3.581 4.507 4.848 341 1HB ASP 46 1HB ASP 46 2.026 5.605 6.526 342 2HB ASP 46 2HB ASP 46 3.718 5.510 7.001 343 H VAL 47 H VAL 47 1.518 4.049 4.090 344 HA VAL 47 HA VAL 47 0.442 6.063 2.238 345 HB VAL 47 HB VAL 47 0.048 3.068 2.273 346 1HG1 VAL 47 1HG1 VAL 47 -1.666 5.040 1.229 347 2HG1 VAL 47 2HG1 VAL 47 -0.810 4.347 -0.150 348 3HG1 VAL 47 3HG1 VAL 47 -1.718 3.301 0.942 349 1HG2 VAL 47 1HG2 VAL 47 2.271 3.960 1.500 350 2HG2 VAL 47 2HG2 VAL 47 1.384 3.014 0.304 351 3HG2 VAL 47 3HG2 VAL 47 1.407 4.774 0.194 352 HA PRO 48 HA PRO 48 -2.949 6.103 5.227 353 1HB PRO 48 1HB PRO 48 -3.715 8.616 4.837 354 2HB PRO 48 2HB PRO 48 -2.197 8.258 5.671 355 1HG PRO 48 1HG PRO 48 -2.649 9.159 2.862 356 2HG PRO 48 2HG PRO 48 -1.361 9.610 3.993 357 1HD PRO 48 1HD PRO 48 -1.167 7.691 1.965 358 2HD PRO 48 2HD PRO 48 -0.054 7.872 3.334 359 H ALA 49 H ALA 49 -3.219 4.948 2.546 360 HA ALA 49 HA ALA 49 -4.756 4.557 0.895 361 1HB ALA 49 1HB ALA 49 -7.003 5.156 2.709 362 2HB ALA 49 2HB ALA 49 -5.821 3.982 3.290 363 3HB ALA 49 3HB ALA 49 -6.658 3.708 1.762 364 H GLU 50 H GLU 50 -4.540 6.202 -0.573 365 HA GLU 50 HA GLU 50 -5.902 8.716 -0.138 366 1HB GLU 50 1HB GLU 50 -3.856 7.705 -1.998 367 2HB GLU 50 2HB GLU 50 -4.966 8.886 -2.681 368 1HG GLU 50 1HG GLU 50 -4.272 10.564 -1.249 369 2HG GLU 50 2HG GLU 50 -3.611 9.427 -0.075 370 H VAL 51 H VAL 51 -7.822 6.964 -0.080 371 HA VAL 51 HA VAL 51 -9.744 7.717 -1.825 372 HB VAL 51 HB VAL 51 -8.664 7.010 -3.781 373 1HG1 VAL 51 1HG1 VAL 51 -7.209 5.349 -2.110 374 2HG1 VAL 51 2HG1 VAL 51 -8.050 4.240 -3.196 375 3HG1 VAL 51 3HG1 VAL 51 -7.025 5.513 -3.856 376 1HG2 VAL 51 1HG2 VAL 51 -11.013 5.793 -3.101 377 2HG2 VAL 51 2HG2 VAL 51 -10.272 5.747 -4.700 378 3HG2 VAL 51 3HG2 VAL 51 -10.011 4.419 -3.569 379 H ALA 52 H ALA 52 -11.683 6.742 -1.347 380 HA ALA 52 HA ALA 52 -11.676 4.826 0.829 381 1HB ALA 52 1HB ALA 52 -13.435 6.845 -0.082 382 2HB ALA 52 2HB ALA 52 -13.598 5.825 1.349 383 3HB ALA 52 3HB ALA 52 -14.304 5.310 -0.188 384 H GLY 53 H GLY 53 -14.059 3.455 0.255 385 1HA GLY 53 1HA GLY 53 -13.412 1.980 -2.209 386 2HA GLY 53 2HA GLY 53 -14.992 2.028 -1.441 387 H VAL 54 H VAL 54 -13.198 -0.231 -2.240 388 HA VAL 54 HA VAL 54 -12.574 -1.472 0.330 389 HB VAL 54 HB VAL 54 -14.426 -2.782 -1.666 390 1HG1 VAL 54 1HG1 VAL 54 -13.078 -3.695 0.826 391 2HG1 VAL 54 2HG1 VAL 54 -14.695 -4.301 0.468 392 3HG1 VAL 54 3HG1 VAL 54 -13.381 -4.564 -0.679 393 1HG2 VAL 54 1HG2 VAL 54 -14.936 -1.150 0.745 394 2HG2 VAL 54 2HG2 VAL 54 -15.921 -1.384 -0.697 395 3HG2 VAL 54 3HG2 VAL 54 -15.900 -2.615 0.565 396 H VAL 55 H VAL 55 -10.902 -2.939 0.207 397 HA VAL 55 HA VAL 55 -9.405 -2.982 -2.238 398 HB VAL 55 HB VAL 55 -8.882 -4.540 0.293 399 1HG1 VAL 55 1HG1 VAL 55 -7.774 -5.450 -1.730 400 2HG1 VAL 55 2HG1 VAL 55 -7.029 -3.872 -1.999 401 3HG1 VAL 55 3HG1 VAL 55 -6.624 -4.802 -0.556 402 1HG2 VAL 55 1HG2 VAL 55 -8.948 -1.961 0.380 403 2HG2 VAL 55 2HG2 VAL 55 -7.543 -2.792 1.048 404 3HG2 VAL 55 3HG2 VAL 55 -7.450 -2.045 -0.547 405 H LYS 56 H LYS 56 -8.879 -4.695 -3.521 406 HA LYS 56 HA LYS 56 -10.577 -7.090 -3.266 407 1HB LYS 56 1HB LYS 56 -9.570 -6.666 -5.952 408 2HB LYS 56 2HB LYS 56 -11.218 -6.947 -5.414 409 1HG LYS 56 1HG LYS 56 -10.293 -4.229 -4.885 410 2HG LYS 56 2HG LYS 56 -10.271 -4.667 -6.590 411 1HD LYS 56 1HD LYS 56 -12.435 -4.050 -6.524 412 2HD LYS 56 2HD LYS 56 -12.673 -5.665 -5.853 413 1HE LYS 56 1HE LYS 56 -12.108 -4.371 -3.596 414 2HE LYS 56 2HE LYS 56 -12.754 -3.016 -4.522 415 1HZ LYS 56 1HZ LYS 56 -14.589 -4.897 -4.999 416 2HZ LYS 56 2HZ LYS 56 -14.118 -5.326 -3.433 417 3HZ LYS 56 3HZ LYS 56 -14.702 -3.769 -3.745 418 H GLU 57 H GLU 57 -7.567 -5.763 -4.548 419 HA GLU 57 HA GLU 57 -6.393 -8.415 -4.303 420 1HB GLU 57 1HB GLU 57 -5.964 -6.181 -6.197 421 2HB GLU 57 2HB GLU 57 -4.549 -7.130 -5.761 422 1HG GLU 57 1HG GLU 57 -5.546 -9.132 -6.579 423 2HG GLU 57 2HG GLU 57 -7.100 -8.330 -6.803 424 H VAL 58 H VAL 58 -3.922 -8.301 -3.936 425 HA VAL 58 HA VAL 58 -2.920 -6.150 -2.325 426 HB VAL 58 HB VAL 58 -4.343 -7.223 -0.645 427 1HG1 VAL 58 1HG1 VAL 58 -2.799 -9.689 -1.413 428 2HG1 VAL 58 2HG1 VAL 58 -3.686 -9.551 0.106 429 3HG1 VAL 58 3HG1 VAL 58 -4.546 -9.443 -1.430 430 1HG2 VAL 58 1HG2 VAL 58 -1.720 -6.525 -0.364 431 2HG2 VAL 58 2HG2 VAL 58 -2.811 -6.915 0.966 432 3HG2 VAL 58 3HG2 VAL 58 -1.737 -8.153 0.315 433 H LYS 59 H LYS 59 -0.741 -6.186 -2.255 434 HA LYS 59 HA LYS 59 0.729 -8.641 -2.700 435 1HB LYS 59 1HB LYS 59 0.751 -6.357 -4.668 436 2HB LYS 59 2HB LYS 59 2.016 -7.577 -4.602 437 1HG LYS 59 1HG LYS 59 0.760 -8.634 -6.124 438 2HG LYS 59 2HG LYS 59 -0.194 -9.138 -4.727 439 1HD LYS 59 1HD LYS 59 -1.907 -8.241 -5.884 440 2HD LYS 59 2HD LYS 59 -1.291 -6.717 -5.244 441 1HE LYS 59 1HE LYS 59 -1.509 -6.282 -7.513 442 2HE LYS 59 2HE LYS 59 0.197 -6.694 -7.349 443 1HZ LYS 59 1HZ LYS 59 -0.965 -9.090 -7.819 444 2HZ LYS 59 2HZ LYS 59 -1.886 -8.054 -8.789 445 3HZ LYS 59 3HZ LYS 59 -0.208 -8.131 -8.988 446 H VAL 60 H VAL 60 1.067 -7.764 -0.441 447 HA VAL 60 HA VAL 60 3.664 -6.641 -0.282 448 HB VAL 60 HB VAL 60 2.883 -4.496 -0.591 449 1HG1 VAL 60 1HG1 VAL 60 0.371 -5.259 0.889 450 2HG1 VAL 60 2HG1 VAL 60 0.725 -3.642 0.282 451 3HG1 VAL 60 3HG1 VAL 60 0.547 -4.988 -0.847 452 1HG2 VAL 60 1HG2 VAL 60 3.938 -4.817 1.721 453 2HG2 VAL 60 2HG2 VAL 60 3.058 -3.319 1.423 454 3HG2 VAL 60 3HG2 VAL 60 2.305 -4.614 2.353 455 H LYS 61 H LYS 61 4.507 -6.671 1.833 456 HA LYS 61 HA LYS 61 3.007 -7.339 4.134 457 1HB LYS 61 1HB LYS 61 3.752 -9.532 2.406 458 2HB LYS 61 2HB LYS 61 4.537 -9.687 3.972 459 1HG LYS 61 1HG LYS 61 1.750 -8.970 4.243 460 2HG LYS 61 2HG LYS 61 1.963 -10.460 3.322 461 1HD LYS 61 1HD LYS 61 2.807 -11.598 5.097 462 2HD LYS 61 2HD LYS 61 3.587 -10.169 5.777 463 1HE LYS 61 1HE LYS 61 1.360 -9.339 6.471 464 2HE LYS 61 2HE LYS 61 0.649 -10.842 5.884 465 1HZ LYS 61 1HZ LYS 61 2.467 -11.852 7.476 466 2HZ LYS 61 2HZ LYS 61 2.286 -10.363 8.257 467 3HZ LYS 61 3HZ LYS 61 0.949 -11.378 8.055 468 H VAL 62 H VAL 62 4.875 -8.716 5.622 469 HA VAL 62 HA VAL 62 7.080 -6.776 5.676 470 HB VAL 62 HB VAL 62 6.105 -8.611 7.870 471 1HG1 VAL 62 1HG1 VAL 62 8.182 -6.423 7.883 472 2HG1 VAL 62 2HG1 VAL 62 7.563 -7.238 9.320 473 3HG1 VAL 62 3HG1 VAL 62 8.465 -8.150 8.109 474 1HG2 VAL 62 1HG2 VAL 62 4.893 -6.329 6.938 475 2HG2 VAL 62 2HG2 VAL 62 4.698 -7.013 8.551 476 3HG2 VAL 62 3HG2 VAL 62 5.879 -5.732 8.273 477 H GLY 63 H GLY 63 8.471 -7.745 4.183 478 1HA GLY 63 1HA GLY 63 9.271 -10.514 4.588 479 2HA GLY 63 2HA GLY 63 10.494 -9.307 4.954 480 H ASP 64 H ASP 64 8.276 -8.564 2.427 481 HA ASP 64 HA ASP 64 10.135 -9.524 0.380 482 1HB ASP 64 1HB ASP 64 8.229 -8.764 -1.175 483 2HB ASP 64 2HB ASP 64 7.947 -10.180 -0.167 484 H LYS 65 H LYS 65 10.427 -8.053 -1.545 485 HA LYS 65 HA LYS 65 11.092 -5.367 -0.570 486 1HB LYS 65 1HB LYS 65 12.155 -7.068 -2.810 487 2HB LYS 65 2HB LYS 65 12.451 -5.335 -2.769 488 1HG LYS 65 1HG LYS 65 14.325 -6.063 -1.715 489 2HG LYS 65 2HG LYS 65 13.262 -5.891 -0.318 490 1HD LYS 65 1HD LYS 65 12.809 -8.466 -1.370 491 2HD LYS 65 2HD LYS 65 14.559 -8.238 -1.326 492 1HE LYS 65 1HE LYS 65 14.593 -7.950 0.973 493 2HE LYS 65 2HE LYS 65 12.892 -7.492 1.040 494 1HZ LYS 65 1HZ LYS 65 12.401 -9.849 0.369 495 2HZ LYS 65 2HZ LYS 65 14.029 -10.201 0.666 496 3HZ LYS 65 3HZ LYS 65 13.039 -9.653 1.923 497 H ILE 66 H ILE 66 10.200 -3.571 -1.421 498 HA ILE 66 HA ILE 66 8.472 -3.885 -3.775 499 HB ILE 66 HB ILE 66 7.565 -3.443 -1.176 500 1HG1 ILE 66 1HG1 ILE 66 5.385 -3.278 -2.225 501 2HG1 ILE 66 2HG1 ILE 66 6.129 -2.855 -3.766 502 1HG2 ILE 66 1HG2 ILE 66 7.451 -0.859 -2.709 503 2HG2 ILE 66 2HG2 ILE 66 6.398 -1.239 -1.347 504 3HG2 ILE 66 3HG2 ILE 66 8.143 -1.136 -1.112 505 1HD1 ILE 66 1HD1 ILE 66 7.295 -5.272 -2.897 506 2HD1 ILE 66 2HD1 ILE 66 5.545 -5.424 -2.716 507 3HD1 ILE 66 3HD1 ILE 66 6.238 -4.997 -4.282 508 H SER 67 H SER 67 7.974 -1.796 -4.872 509 HA SER 67 HA SER 67 9.935 0.316 -4.421 510 1HB SER 67 1HB SER 67 9.625 -0.770 -7.208 511 2HB SER 67 2HB SER 67 10.913 0.238 -6.550 512 HG SER 67 HG SER 67 10.952 -2.345 -6.801 513 H GLU 68 H GLU 68 9.311 2.330 -5.164 514 HA GLU 68 HA GLU 68 6.717 3.089 -5.176 515 1HB GLU 68 1HB GLU 68 7.483 5.025 -6.704 516 2HB GLU 68 2HB GLU 68 8.252 4.840 -5.135 517 1HG GLU 68 1HG GLU 68 10.154 5.029 -6.274 518 2HG GLU 68 2HG GLU 68 9.884 3.343 -6.711 519 H GLY 69 H GLY 69 5.107 2.154 -6.277 520 1HA GLY 69 1HA GLY 69 5.196 2.292 -9.196 521 2HA GLY 69 2HA GLY 69 3.760 2.055 -8.212 522 H GLY 70 H GLY 70 3.706 -0.084 -6.987 523 1HA GLY 70 1HA GLY 70 4.875 -2.361 -7.122 524 2HA GLY 70 2HA GLY 70 4.613 -2.183 -8.851 525 H LEU 71 H LEU 71 1.988 -0.792 -8.148 526 HA LEU 71 HA LEU 71 -0.198 -1.316 -7.770 527 1HB LEU 71 1HB LEU 71 0.109 -2.400 -9.907 528 2HB LEU 71 2HB LEU 71 0.768 -3.827 -9.134 529 HG LEU 71 HG LEU 71 -1.327 -4.535 -8.363 530 1HD1 LEU 71 1HD1 LEU 71 -1.962 -1.686 -8.410 531 2HD1 LEU 71 2HD1 LEU 71 -3.276 -2.716 -8.970 532 3HD1 LEU 71 3HD1 LEU 71 -2.577 -2.969 -7.371 533 1HD2 LEU 71 1HD2 LEU 71 -1.016 -3.820 -11.094 534 2HD2 LEU 71 2HD2 LEU 71 -1.942 -5.150 -10.398 535 3HD2 LEU 71 3HD2 LEU 71 -2.705 -3.579 -10.644 536 H ILE 72 H ILE 72 0.788 -1.432 -5.424 537 HA ILE 72 HA ILE 72 1.080 -3.802 -4.047 538 HB ILE 72 HB ILE 72 0.300 -1.039 -3.277 539 1HG1 ILE 72 1HG1 ILE 72 2.321 -2.732 -1.890 540 2HG1 ILE 72 2HG1 ILE 72 2.651 -2.211 -3.540 541 1HG2 ILE 72 1HG2 ILE 72 -0.372 -3.429 -1.651 542 2HG2 ILE 72 2HG2 ILE 72 0.386 -2.075 -0.812 543 3HG2 ILE 72 3HG2 ILE 72 -1.125 -1.834 -1.689 544 1HD1 ILE 72 1HD1 ILE 72 1.733 -0.103 -1.726 545 2HD1 ILE 72 2HD1 ILE 72 3.301 -0.811 -1.340 546 3HD1 ILE 72 3HD1 ILE 72 3.022 -0.096 -2.927 547 H VAL 73 H VAL 73 -1.874 -1.857 -3.642 548 HA VAL 73 HA VAL 73 -3.443 -4.335 -3.884 549 HB VAL 73 HB VAL 73 -4.868 -3.665 -2.044 550 1HG1 VAL 73 1HG1 VAL 73 -2.100 -4.343 -1.782 551 2HG1 VAL 73 2HG1 VAL 73 -2.601 -3.353 -0.410 552 3HG1 VAL 73 3HG1 VAL 73 -3.468 -4.842 -0.789 553 1HG2 VAL 73 1HG2 VAL 73 -3.086 -1.243 -1.927 554 2HG2 VAL 73 2HG2 VAL 73 -4.834 -1.301 -2.156 555 3HG2 VAL 73 3HG2 VAL 73 -4.133 -1.731 -0.595 556 H VAL 74 H VAL 74 -5.535 -4.138 -4.660 557 HA VAL 74 HA VAL 74 -6.169 -1.559 -5.955 558 HB VAL 74 HB VAL 74 -6.926 -4.355 -6.840 559 1HG1 VAL 74 1HG1 VAL 74 -8.399 -2.156 -7.309 560 2HG1 VAL 74 2HG1 VAL 74 -7.262 -2.050 -8.653 561 3HG1 VAL 74 3HG1 VAL 74 -8.255 -3.492 -8.452 562 1HG2 VAL 74 1HG2 VAL 74 -4.798 -2.445 -7.712 563 2HG2 VAL 74 2HG2 VAL 74 -4.692 -4.179 -7.408 564 3HG2 VAL 74 3HG2 VAL 74 -5.493 -3.586 -8.863 565 H VAL 75 H VAL 75 -8.131 -0.659 -5.517 566 HA VAL 75 HA VAL 75 -9.986 -2.254 -3.894 567 HB VAL 75 HB VAL 75 -10.637 -0.174 -2.764 568 1HG1 VAL 75 1HG1 VAL 75 -8.118 -1.540 -2.521 569 2HG1 VAL 75 2HG1 VAL 75 -7.975 0.133 -1.983 570 3HG1 VAL 75 3HG1 VAL 75 -9.184 -0.926 -1.259 571 1HG2 VAL 75 1HG2 VAL 75 -8.589 0.982 -4.596 572 2HG2 VAL 75 2HG2 VAL 75 -10.195 1.586 -4.188 573 3HG2 VAL 75 3HG2 VAL 75 -8.877 1.723 -3.023 574 H GLU 76 H GLU 76 -12.190 -1.011 -3.773 575 HA GLU 76 HA GLU 76 -13.184 -0.924 -6.483 576 1HB GLU 76 1HB GLU 76 -14.246 -1.614 -3.968 577 2HB GLU 76 2HB GLU 76 -15.139 -0.191 -4.489 578 1HG GLU 76 1HG GLU 76 -15.439 -1.430 -6.711 579 2HG GLU 76 2HG GLU 76 -14.929 -2.863 -5.821 580 H ALA 77 H ALA 77 -12.569 1.284 -3.839 581 HA ALA 77 HA ALA 77 -12.404 3.536 -3.779 582 1HB ALA 77 1HB ALA 77 -12.795 4.580 -6.240 583 2HB ALA 77 2HB ALA 77 -12.214 2.958 -6.610 584 3HB ALA 77 3HB ALA 77 -11.252 4.023 -5.589 585 H GLU 78 H GLU 78 -14.891 2.115 -3.490 586 HA GLU 78 HA GLU 78 -17.126 3.258 -4.601 587 1HB GLU 78 1HB GLU 78 -16.616 1.516 -2.535 588 2HB GLU 78 2HB GLU 78 -17.327 2.890 -1.698 589 1HG GLU 78 1HG GLU 78 -18.948 2.454 -3.932 590 2HG GLU 78 2HG GLU 78 -18.588 0.854 -3.285 591 H GLY 79 H GLY 79 -15.847 4.179 -1.434 592 1HA GLY 79 1HA GLY 79 -15.453 6.845 -1.711 593 2HA GLY 79 2HA GLY 79 -16.062 6.121 -0.233 594 H THR 80 H THR 80 -18.259 6.231 0.249 595 HA THR 80 HA THR 80 -19.809 8.052 -1.476 596 HB THR 80 HB THR 80 -21.797 6.871 -0.994 597 HG1 THR 80 HG1 THR 80 -22.066 5.639 0.716 598 1HG2 THR 80 1HG2 THR 80 -20.261 5.661 -2.551 599 2HG2 THR 80 2HG2 THR 80 -19.779 4.656 -1.184 600 3HG2 THR 80 3HG2 THR 80 -21.454 4.651 -1.735 601 H ALA 81 H ALA 81 -19.474 9.960 -0.441 602 HA ALA 81 HA ALA 81 -20.050 10.072 2.442 603 1HB ALA 81 1HB ALA 81 -17.932 10.972 2.167 604 2HB ALA 81 2HB ALA 81 -18.352 11.756 0.644 605 3HB ALA 81 3HB ALA 81 -18.960 12.406 2.167 No H/Q in entry = 605 Start of MODEL 10 1 H1 ALA 1 H1 ALA 1 -13.466 6.024 -9.632 2 H2 ALA 1 H2 ALA 1 -14.845 5.906 -10.645 3 H3 ALA 1 H3 ALA 1 -14.898 5.286 -9.047 4 HA ALA 1 HA ALA 1 -14.675 3.480 -10.455 5 1HB ALA 1 1HB ALA 1 -13.925 4.767 -12.419 6 2HB ALA 1 2HB ALA 1 -12.320 4.893 -11.698 7 3HB ALA 1 3HB ALA 1 -12.963 3.314 -12.151 8 H LEU 2 H LEU 2 -12.896 1.786 -10.395 9 HA LEU 2 HA LEU 2 -11.943 1.493 -7.803 10 1HB LEU 2 1HB LEU 2 -10.979 0.212 -10.360 11 2HB LEU 2 2HB LEU 2 -10.491 -0.307 -8.758 12 HG LEU 2 HG LEU 2 -13.263 -0.331 -8.637 13 1HD1 LEU 2 1HD1 LEU 2 -13.280 -0.042 -11.106 14 2HD1 LEU 2 2HD1 LEU 2 -12.404 -1.566 -11.246 15 3HD1 LEU 2 3HD1 LEU 2 -14.027 -1.542 -10.556 16 1HD2 LEU 2 1HD2 LEU 2 -11.071 -2.308 -8.799 17 2HD2 LEU 2 2HD2 LEU 2 -12.313 -2.085 -7.567 18 3HD2 LEU 2 3HD2 LEU 2 -12.706 -2.910 -9.076 19 H VAL 3 H VAL 3 -9.476 0.961 -7.447 20 HA VAL 3 HA VAL 3 -7.768 2.991 -8.662 21 HB VAL 3 HB VAL 3 -8.565 2.929 -5.773 22 1HG1 VAL 3 1HG1 VAL 3 -6.132 2.657 -5.709 23 2HG1 VAL 3 2HG1 VAL 3 -5.949 4.066 -6.757 24 3HG1 VAL 3 3HG1 VAL 3 -6.620 4.256 -5.137 25 1HG2 VAL 3 1HG2 VAL 3 -8.391 4.922 -7.969 26 2HG2 VAL 3 2HG2 VAL 3 -9.684 4.628 -6.806 27 3HG2 VAL 3 3HG2 VAL 3 -8.225 5.484 -6.305 28 H GLU 4 H GLU 4 -5.484 2.706 -8.100 29 HA GLU 4 HA GLU 4 -4.822 -0.033 -7.263 30 1HB GLU 4 1HB GLU 4 -3.843 1.468 -9.685 31 2HB GLU 4 2HB GLU 4 -2.950 0.116 -9.006 32 1HG GLU 4 1HG GLU 4 -4.957 -1.302 -9.315 33 2HG GLU 4 2HG GLU 4 -5.745 0.057 -10.114 34 H LEU 5 H LEU 5 -3.980 0.423 -5.293 35 HA LEU 5 HA LEU 5 -2.521 2.690 -4.576 36 1HB LEU 5 1HB LEU 5 -3.317 0.251 -3.364 37 2HB LEU 5 2HB LEU 5 -1.602 0.451 -3.059 38 HG LEU 5 HG LEU 5 -3.126 1.369 -1.285 39 1HD1 LEU 5 1HD1 LEU 5 -0.730 2.106 -1.787 40 2HD1 LEU 5 2HD1 LEU 5 -1.459 3.540 -2.509 41 3HD1 LEU 5 3HD1 LEU 5 -1.728 3.177 -0.805 42 1HD2 LEU 5 1HD2 LEU 5 -4.409 2.530 -3.470 43 2HD2 LEU 5 2HD2 LEU 5 -4.737 2.822 -1.762 44 3HD2 LEU 5 3HD2 LEU 5 -3.618 3.867 -2.635 45 H LYS 6 H LYS 6 -0.208 2.738 -3.892 46 HA LYS 6 HA LYS 6 1.594 0.960 -5.295 47 1HB LYS 6 1HB LYS 6 1.204 3.831 -6.087 48 2HB LYS 6 2HB LYS 6 2.755 3.037 -6.322 49 1HG LYS 6 1HG LYS 6 1.933 2.448 -8.311 50 2HG LYS 6 2HG LYS 6 1.028 1.228 -7.413 51 1HD LYS 6 1HD LYS 6 -0.750 2.179 -8.418 52 2HD LYS 6 2HD LYS 6 -0.598 3.368 -7.124 53 1HE LYS 6 1HE LYS 6 1.010 4.580 -8.739 54 2HE LYS 6 2HE LYS 6 0.283 3.562 -9.982 55 1HZ LYS 6 1HZ LYS 6 -1.545 4.983 -8.211 56 2HZ LYS 6 2HZ LYS 6 -0.686 5.924 -9.326 57 3HZ LYS 6 3HZ LYS 6 -1.672 4.661 -9.866 58 H VAL 7 H VAL 7 3.805 1.241 -4.696 59 HA VAL 7 HA VAL 7 4.258 1.661 -1.998 60 HB VAL 7 HB VAL 7 6.234 1.804 -4.280 61 1HG1 VAL 7 1HG1 VAL 7 6.925 2.769 -1.975 62 2HG1 VAL 7 2HG1 VAL 7 6.957 1.081 -1.474 63 3HG1 VAL 7 3HG1 VAL 7 7.995 1.628 -2.786 64 1HG2 VAL 7 1HG2 VAL 7 4.883 -0.282 -4.058 65 2HG2 VAL 7 2HG2 VAL 7 6.623 -0.508 -3.906 66 3HG2 VAL 7 3HG2 VAL 7 5.607 -0.509 -2.467 67 HA PRO 8 HA PRO 8 4.429 6.076 -1.619 68 1HB PRO 8 1HB PRO 8 5.673 6.282 0.762 69 2HB PRO 8 2HB PRO 8 4.007 5.702 0.615 70 1HG PRO 8 1HG PRO 8 6.538 4.121 0.924 71 2HG PRO 8 2HG PRO 8 4.984 3.910 1.751 72 1HD PRO 8 1HD PRO 8 5.731 2.394 -0.371 73 2HD PRO 8 2HD PRO 8 4.037 2.807 -0.045 74 H ASP 9 H ASP 9 6.243 7.647 -0.525 75 HA ASP 9 HA ASP 9 8.448 7.545 -2.388 76 1HB ASP 9 1HB ASP 9 7.174 9.546 -0.659 77 2HB ASP 9 2HB ASP 9 8.926 9.704 -0.762 78 H ILE 10 H ILE 10 9.768 5.868 -1.732 79 HA ILE 10 HA ILE 10 10.993 6.129 0.934 80 HB ILE 10 HB ILE 10 11.785 3.685 0.289 81 1HG1 ILE 10 1HG1 ILE 10 9.927 2.491 -0.889 82 2HG1 ILE 10 2HG1 ILE 10 9.227 4.055 -1.283 83 1HG2 ILE 10 1HG2 ILE 10 9.866 4.782 1.963 84 2HG2 ILE 10 2HG2 ILE 10 9.019 3.485 1.120 85 3HG2 ILE 10 3HG2 ILE 10 10.496 3.136 2.022 86 1HD1 ILE 10 1HD1 ILE 10 11.256 4.628 -2.533 87 2HD1 ILE 10 2HD1 ILE 10 11.912 3.032 -2.171 88 3HD1 ILE 10 3HD1 ILE 10 10.462 3.184 -3.163 89 H GLY 11 H GLY 11 12.275 7.846 -0.222 90 1HA GLY 11 1HA GLY 11 14.774 6.640 -1.123 91 2HA GLY 11 2HA GLY 11 14.543 8.312 -0.634 92 H GLY 12 H GLY 12 14.280 6.015 -3.250 93 1HA GLY 12 1HA GLY 12 14.653 8.104 -5.182 94 2HA GLY 12 2HA GLY 12 13.032 7.430 -5.229 95 H HIS 13 H HIS 13 13.646 4.745 -4.653 96 HA HIS 13 HA HIS 13 14.749 3.968 -7.230 97 1HB HIS 13 1HB HIS 13 16.135 2.165 -6.061 98 2HB HIS 13 2HB HIS 13 16.753 3.811 -6.001 99 HD1 HIS 13 HD1 HIS 13 18.100 3.291 -3.857 100 HD2 HIS 13 HD2 HIS 13 13.995 2.799 -3.449 101 HE1 HIS 13 HE1 HIS 13 17.690 3.090 -1.385 102 HE2 HIS 13 HE2 HIS 13 15.209 2.723 -1.167 103 H GLU 14 H GLU 14 14.693 1.384 -7.267 104 HA GLU 14 HA GLU 14 12.042 0.612 -6.228 105 1HB GLU 14 1HB GLU 14 13.404 -0.191 -8.810 106 2HB GLU 14 2HB GLU 14 11.903 -0.892 -8.225 107 1HG GLU 14 1HG GLU 14 10.877 0.678 -9.412 108 2HG GLU 14 2HG GLU 14 11.390 1.807 -8.159 109 H ASN 15 H ASN 15 13.092 -0.174 -4.334 110 HA ASN 15 HA ASN 15 13.418 -2.883 -4.166 111 1HB ASN 15 1HB ASN 15 15.942 -3.036 -3.817 112 2HB ASN 15 2HB ASN 15 15.395 -2.883 -5.484 113 1HD2 ASN 15 2HD2 ASN 15 17.899 -2.298 -5.180 114 2HD2 ASN 15 1HD2 ASN 15 18.196 -0.597 -5.175 115 H VAL 16 H VAL 16 12.121 -1.858 -2.419 116 HA VAL 16 HA VAL 16 13.851 -1.336 -0.098 117 HB VAL 16 HB VAL 16 12.040 0.278 0.699 118 1HG1 VAL 16 1HG1 VAL 16 14.370 0.653 -0.734 119 2HG1 VAL 16 2HG1 VAL 16 13.192 1.661 -1.577 120 3HG1 VAL 16 3HG1 VAL 16 13.476 1.889 0.150 121 1HG2 VAL 16 1HG2 VAL 16 10.894 -0.506 -1.772 122 2HG2 VAL 16 2HG2 VAL 16 10.262 0.626 -0.579 123 3HG2 VAL 16 3HG2 VAL 16 11.301 1.205 -1.885 124 H ASP 17 H ASP 17 13.348 -2.489 1.643 125 HA ASP 17 HA ASP 17 11.275 -4.436 1.528 126 1HB ASP 17 1HB ASP 17 13.569 -3.869 3.183 127 2HB ASP 17 2HB ASP 17 12.172 -4.237 4.190 128 H ILE 18 H ILE 18 9.334 -4.531 2.584 129 HA ILE 18 HA ILE 18 8.154 -2.041 3.341 130 HB ILE 18 HB ILE 18 7.110 -4.875 3.382 131 1HG1 ILE 18 1HG1 ILE 18 5.827 -2.815 1.730 132 2HG1 ILE 18 2HG1 ILE 18 7.500 -3.145 1.296 133 1HG2 ILE 18 1HG2 ILE 18 5.688 -2.321 4.124 134 2HG2 ILE 18 2HG2 ILE 18 4.872 -3.845 3.774 135 3HG2 ILE 18 3HG2 ILE 18 5.969 -3.727 5.150 136 1HD1 ILE 18 1HD1 ILE 18 6.055 -5.597 1.701 137 2HD1 ILE 18 2HD1 ILE 18 5.243 -4.570 0.517 138 3HD1 ILE 18 3HD1 ILE 18 6.930 -5.026 0.280 139 H ILE 19 H ILE 19 7.026 -1.740 5.421 140 HA ILE 19 HA ILE 19 8.485 -3.108 7.590 141 HB ILE 19 HB ILE 19 9.227 -1.217 8.523 142 1HG1 ILE 19 1HG1 ILE 19 6.656 0.229 7.861 143 2HG1 ILE 19 2HG1 ILE 19 6.954 -0.650 9.354 144 1HG2 ILE 19 1HG2 ILE 19 8.332 -0.029 5.899 145 2HG2 ILE 19 2HG2 ILE 19 9.417 0.771 7.037 146 3HG2 ILE 19 3HG2 ILE 19 9.900 -0.745 6.278 147 1HD1 ILE 19 1HD1 ILE 19 8.782 0.882 9.884 148 2HD1 ILE 19 2HD1 ILE 19 8.459 1.773 8.398 149 3HD1 ILE 19 3HD1 ILE 19 7.249 1.729 9.679 150 H ALA 20 H ALA 20 5.514 -1.525 6.596 151 HA ALA 20 HA ALA 20 4.134 -2.855 8.835 152 1HB ALA 20 1HB ALA 20 4.151 -0.334 8.849 153 2HB ALA 20 2HB ALA 20 3.158 -0.404 7.394 154 3HB ALA 20 3HB ALA 20 2.557 -1.087 8.903 155 H VAL 21 H VAL 21 1.736 -3.222 8.290 156 HA VAL 21 HA VAL 21 1.113 -3.637 5.521 157 HB VAL 21 HB VAL 21 2.527 -5.621 6.040 158 1HG1 VAL 21 1HG1 VAL 21 1.653 -5.733 8.444 159 2HG1 VAL 21 2HG1 VAL 21 0.278 -6.603 7.764 160 3HG1 VAL 21 3HG1 VAL 21 1.908 -7.255 7.590 161 1HG2 VAL 21 1HG2 VAL 21 -0.234 -5.682 5.045 162 2HG2 VAL 21 2HG2 VAL 21 1.258 -6.247 4.294 163 3HG2 VAL 21 3HG2 VAL 21 0.433 -7.255 5.483 164 H GLU 22 H GLU 22 -0.983 -3.269 5.284 165 HA GLU 22 HA GLU 22 -2.932 -4.307 7.131 166 1HB GLU 22 1HB GLU 22 -2.508 -1.326 6.885 167 2HB GLU 22 2HB GLU 22 -3.936 -2.063 7.597 168 1HG GLU 22 1HG GLU 22 -2.413 -3.192 9.238 169 2HG GLU 22 2HG GLU 22 -1.109 -2.189 8.604 170 H VAL 23 H VAL 23 -3.761 -5.350 5.317 171 HA VAL 23 HA VAL 23 -5.618 -3.820 3.770 172 HB VAL 23 HB VAL 23 -4.655 -4.702 1.557 173 1HG1 VAL 23 1HG1 VAL 23 -4.579 -2.289 2.739 174 2HG1 VAL 23 2HG1 VAL 23 -2.851 -2.587 2.543 175 3HG1 VAL 23 3HG1 VAL 23 -3.915 -2.610 1.137 176 1HG2 VAL 23 1HG2 VAL 23 -2.250 -4.908 3.353 177 2HG2 VAL 23 2HG2 VAL 23 -2.943 -6.152 2.313 178 3HG2 VAL 23 3HG2 VAL 23 -2.129 -4.759 1.600 179 H ASN 24 H ASN 24 -7.330 -5.059 3.877 180 HA ASN 24 HA ASN 24 -6.993 -7.962 3.525 181 1HB ASN 24 1HB ASN 24 -9.322 -6.636 4.902 182 2HB ASN 24 2HB ASN 24 -8.878 -8.339 4.915 183 1HD2 ASN 24 2HD2 ASN 24 -7.165 -9.026 6.200 184 2HD2 ASN 24 1HD2 ASN 24 -6.533 -8.055 7.481 185 H VAL 25 H VAL 25 -7.264 -8.119 1.379 186 HA VAL 25 HA VAL 25 -8.807 -6.771 -0.382 187 HB VAL 25 HB VAL 25 -9.085 -9.038 -1.580 188 1HG1 VAL 25 1HG1 VAL 25 -7.338 -7.316 -2.023 189 2HG1 VAL 25 2HG1 VAL 25 -6.290 -8.164 -0.886 190 3HG1 VAL 25 3HG1 VAL 25 -6.826 -8.970 -2.361 191 1HG2 VAL 25 1HG2 VAL 25 -8.586 -10.115 0.819 192 2HG2 VAL 25 2HG2 VAL 25 -8.215 -10.933 -0.698 193 3HG2 VAL 25 3HG2 VAL 25 -6.946 -10.072 0.173 194 H GLY 26 H GLY 26 -10.779 -6.064 0.408 195 1HA GLY 26 1HA GLY 26 -12.774 -8.135 1.046 196 2HA GLY 26 2HA GLY 26 -13.121 -6.940 -0.194 197 H ASP 27 H ASP 27 -11.240 -5.780 2.412 198 HA ASP 27 HA ASP 27 -13.394 -5.075 4.153 199 1HB ASP 27 1HB ASP 27 -10.475 -4.712 4.084 200 2HB ASP 27 2HB ASP 27 -11.352 -3.399 4.863 201 H THR 28 H THR 28 -13.665 -2.706 4.813 202 HA THR 28 HA THR 28 -14.193 -1.182 2.374 203 HB THR 28 HB THR 28 -15.103 -0.483 5.162 204 HG1 THR 28 HG1 THR 28 -17.013 -1.634 4.626 205 1HG2 THR 28 1HG2 THR 28 -15.414 0.845 2.754 206 2HG2 THR 28 2HG2 THR 28 -16.946 0.007 3.000 207 3HG2 THR 28 3HG2 THR 28 -16.335 1.104 4.237 208 H ILE 29 H ILE 29 -12.440 -0.045 1.785 209 HA ILE 29 HA ILE 29 -10.729 1.217 3.747 210 HB ILE 29 HB ILE 29 -9.542 2.111 1.694 211 1HG1 ILE 29 1HG1 ILE 29 -10.632 0.117 -0.090 212 2HG1 ILE 29 2HG1 ILE 29 -11.896 1.225 0.434 213 1HG2 ILE 29 1HG2 ILE 29 -9.814 -0.729 2.487 214 2HG2 ILE 29 2HG2 ILE 29 -8.910 -0.381 1.013 215 3HG2 ILE 29 3HG2 ILE 29 -8.410 0.337 2.544 216 1HD1 ILE 29 1HD1 ILE 29 -9.272 2.176 -0.662 217 2HD1 ILE 29 2HD1 ILE 29 -10.668 1.830 -1.683 218 3HD1 ILE 29 3HD1 ILE 29 -10.766 3.088 -0.451 219 H ALA 30 H ALA 30 -10.203 3.500 3.681 220 HA ALA 30 HA ALA 30 -12.377 5.195 2.648 221 1HB ALA 30 1HB ALA 30 -12.808 4.944 4.994 222 2HB ALA 30 2HB ALA 30 -11.132 5.324 5.391 223 3HB ALA 30 3HB ALA 30 -12.182 6.570 4.715 224 H VAL 31 H VAL 31 -11.556 7.648 3.150 225 HA VAL 31 HA VAL 31 -9.125 7.873 1.577 226 HB VAL 31 HB VAL 31 -9.721 10.354 1.663 227 1HG1 VAL 31 1HG1 VAL 31 -11.381 8.248 0.334 228 2HG1 VAL 31 2HG1 VAL 31 -11.702 9.961 0.063 229 3HG1 VAL 31 3HG1 VAL 31 -10.129 9.281 -0.359 230 1HG2 VAL 31 1HG2 VAL 31 -11.337 9.780 3.667 231 2HG2 VAL 31 2HG2 VAL 31 -11.699 11.086 2.539 232 3HG2 VAL 31 3HG2 VAL 31 -12.486 9.518 2.355 233 H ASP 32 H ASP 32 -8.646 6.922 4.158 234 HA ASP 32 HA ASP 32 -6.539 8.456 5.029 235 1HB ASP 32 1HB ASP 32 -7.523 9.397 7.181 236 2HB ASP 32 2HB ASP 32 -7.958 10.238 5.696 237 H ASP 33 H ASP 33 -6.104 6.090 4.957 238 HA ASP 33 HA ASP 33 -6.282 5.012 7.649 239 1HB ASP 33 1HB ASP 33 -7.010 2.759 6.713 240 2HB ASP 33 2HB ASP 33 -8.252 4.005 6.791 241 H THR 34 H THR 34 -4.175 4.769 8.049 242 HA THR 34 HA THR 34 -2.120 4.479 6.265 243 HB THR 34 HB THR 34 -1.150 3.053 8.329 244 HG1 THR 34 HG1 THR 34 -2.953 4.832 9.557 245 1HG2 THR 34 1HG2 THR 34 -0.193 5.125 7.501 246 2HG2 THR 34 2HG2 THR 34 -1.477 6.037 8.296 247 3HG2 THR 34 3HG2 THR 34 -0.315 5.128 9.263 248 H LEU 35 H LEU 35 -1.658 3.027 4.807 249 HA LEU 35 HA LEU 35 -2.744 0.331 5.036 250 1HB LEU 35 1HB LEU 35 -1.270 1.654 2.754 251 2HB LEU 35 2HB LEU 35 -2.032 0.076 2.701 252 HG LEU 35 HG LEU 35 -3.449 2.721 3.040 253 1HD1 LEU 35 1HD1 LEU 35 -2.766 1.048 0.732 254 2HD1 LEU 35 2HD1 LEU 35 -4.456 1.545 0.812 255 3HD1 LEU 35 3HD1 LEU 35 -3.178 2.760 0.814 256 1HD2 LEU 35 1HD2 LEU 35 -4.298 -0.067 3.451 257 2HD2 LEU 35 2HD2 LEU 35 -4.957 1.432 4.105 258 3HD2 LEU 35 3HD2 LEU 35 -5.380 0.923 2.470 259 H ILE 36 H ILE 36 0.333 2.043 4.804 260 HA ILE 36 HA ILE 36 1.674 -0.090 6.181 261 HB ILE 36 HB ILE 36 3.458 -0.347 4.380 262 1HG1 ILE 36 1HG1 ILE 36 2.934 0.058 2.128 263 2HG1 ILE 36 2HG1 ILE 36 1.232 0.339 2.475 264 1HG2 ILE 36 1HG2 ILE 36 1.401 -1.855 5.087 265 2HG2 ILE 36 2HG2 ILE 36 0.966 -1.588 3.401 266 3HG2 ILE 36 3HG2 ILE 36 2.520 -2.319 3.808 267 1HD1 ILE 36 1HD1 ILE 36 3.464 2.165 3.330 268 2HD1 ILE 36 2HD1 ILE 36 2.495 2.378 1.871 269 3HD1 ILE 36 3HD1 ILE 36 1.730 2.465 3.457 270 H THR 37 H THR 37 4.219 0.397 5.980 271 HA THR 37 HA THR 37 4.688 3.274 5.985 272 HB THR 37 HB THR 37 5.365 1.506 8.338 273 HG1 THR 37 HG1 THR 37 3.621 2.246 9.220 274 1HG2 THR 37 1HG2 THR 37 5.889 4.420 7.849 275 2HG2 THR 37 2HG2 THR 37 5.951 3.661 9.439 276 3HG2 THR 37 3HG2 THR 37 7.068 3.153 8.174 277 H LEU 38 H LEU 38 5.561 1.948 3.972 278 HA LEU 38 HA LEU 38 7.764 0.382 3.883 279 1HB LEU 38 1HB LEU 38 7.045 2.751 2.183 280 2HB LEU 38 2HB LEU 38 8.454 1.769 1.836 281 HG LEU 38 HG LEU 38 6.753 0.969 0.425 282 1HD1 LEU 38 1HD1 LEU 38 8.051 -0.704 1.926 283 2HD1 LEU 38 2HD1 LEU 38 6.470 -0.982 2.656 284 3HD1 LEU 38 3HD1 LEU 38 6.709 -1.267 0.932 285 1HD2 LEU 38 1HD2 LEU 38 4.987 2.040 2.120 286 2HD2 LEU 38 2HD2 LEU 38 4.545 0.862 0.886 287 3HD2 LEU 38 3HD2 LEU 38 4.807 0.340 2.551 288 H GLU 39 H GLU 39 10.068 0.945 3.327 289 HA GLU 39 HA GLU 39 11.164 3.412 4.228 290 1HB GLU 39 1HB GLU 39 10.668 2.595 6.423 291 2HB GLU 39 2HB GLU 39 11.374 1.028 6.059 292 1HG GLU 39 1HG GLU 39 13.575 2.194 5.774 293 2HG GLU 39 2HG GLU 39 12.802 3.648 6.405 294 H THR 40 H THR 40 13.445 3.537 3.970 295 HA THR 40 HA THR 40 14.480 1.492 2.145 296 HB THR 40 HB THR 40 16.021 3.163 1.353 297 HG1 THR 40 HG1 THR 40 16.463 4.957 2.412 298 1HG2 THR 40 1HG2 THR 40 13.187 3.951 1.585 299 2HG2 THR 40 2HG2 THR 40 14.332 5.187 1.064 300 3HG2 THR 40 3HG2 THR 40 14.183 3.685 0.155 301 H ASP 41 H ASP 41 16.066 3.702 4.424 302 HA ASP 41 HA ASP 41 17.123 1.558 6.015 303 1HB ASP 41 1HB ASP 41 19.538 2.346 5.525 304 2HB ASP 41 2HB ASP 41 18.761 1.272 4.365 305 H LYS 42 H LYS 42 15.601 4.085 6.254 306 HA LYS 42 HA LYS 42 16.510 4.994 8.692 307 1HB LYS 42 1HB LYS 42 18.078 6.045 6.544 308 2HB LYS 42 2HB LYS 42 17.155 7.359 7.257 309 1HG LYS 42 1HG LYS 42 18.935 5.465 8.778 310 2HG LYS 42 2HG LYS 42 19.370 7.101 8.275 311 1HD LYS 42 1HD LYS 42 16.921 7.356 9.598 312 2HD LYS 42 2HD LYS 42 17.864 6.228 10.573 313 1HE LYS 42 1HE LYS 42 19.757 7.880 10.463 314 2HE LYS 42 2HE LYS 42 18.626 9.017 9.729 315 1HZ LYS 42 1HZ LYS 42 17.293 8.184 11.923 316 2HZ LYS 42 2HZ LYS 42 18.890 8.209 12.478 317 3HZ LYS 42 3HZ LYS 42 18.199 9.607 11.823 318 H ALA 43 H ALA 43 15.090 6.065 5.635 319 HA ALA 43 HA ALA 43 13.115 7.658 7.101 320 1HB ALA 43 1HB ALA 43 14.425 7.951 4.587 321 2HB ALA 43 2HB ALA 43 12.686 7.845 4.314 322 3HB ALA 43 3HB ALA 43 13.334 9.071 5.404 323 H THR 44 H THR 44 11.147 6.890 7.482 324 HA THR 44 HA THR 44 10.250 4.532 5.969 325 HB THR 44 HB THR 44 8.814 4.023 7.871 326 HG1 THR 44 HG1 THR 44 9.887 6.389 9.006 327 1HG2 THR 44 1HG2 THR 44 11.659 4.090 8.049 328 2HG2 THR 44 2HG2 THR 44 10.959 4.410 9.637 329 3HG2 THR 44 3HG2 THR 44 10.521 2.945 8.759 330 H MET 45 H MET 45 8.753 4.876 4.480 331 HA MET 45 HA MET 45 7.080 7.273 4.650 332 1HB MET 45 1HB MET 45 8.419 6.074 2.534 333 2HB MET 45 2HB MET 45 6.737 5.631 2.267 334 1HG MET 45 1HG MET 45 7.808 8.424 2.612 335 2HG MET 45 2HG MET 45 7.299 7.680 1.100 336 1HE MET 45 1HE MET 45 6.163 10.136 1.155 337 2HE MET 45 2HE MET 45 4.605 10.444 1.921 338 3HE MET 45 3HE MET 45 6.088 10.531 2.872 339 H ASP 46 H ASP 46 4.936 7.206 4.995 340 HA ASP 46 HA ASP 46 3.663 4.555 5.121 341 1HB ASP 46 1HB ASP 46 2.230 5.422 6.912 342 2HB ASP 46 2HB ASP 46 3.932 5.543 7.350 343 H VAL 47 H VAL 47 1.610 4.293 4.325 344 HA VAL 47 HA VAL 47 0.614 6.539 2.697 345 HB VAL 47 HB VAL 47 0.288 3.569 2.242 346 1HG1 VAL 47 1HG1 VAL 47 -1.394 5.701 1.434 347 2HG1 VAL 47 2HG1 VAL 47 -0.527 5.135 0.005 348 3HG1 VAL 47 3HG1 VAL 47 -1.479 4.002 0.966 349 1HG2 VAL 47 1HG2 VAL 47 2.505 4.741 1.702 350 2HG2 VAL 47 2HG2 VAL 47 1.751 3.776 0.433 351 3HG2 VAL 47 3HG2 VAL 47 1.612 5.534 0.403 352 HA PRO 48 HA PRO 48 -2.887 6.070 5.493 353 1HB PRO 48 1HB PRO 48 -3.922 8.498 5.162 354 2HB PRO 48 2HB PRO 48 -2.393 8.277 6.023 355 1HG PRO 48 1HG PRO 48 -2.879 9.222 3.235 356 2HG PRO 48 2HG PRO 48 -1.674 9.770 4.412 357 1HD PRO 48 1HD PRO 48 -1.221 7.962 2.328 358 2HD PRO 48 2HD PRO 48 -0.170 8.206 3.736 359 H ALA 49 H ALA 49 -2.899 5.236 2.563 360 HA ALA 49 HA ALA 49 -4.405 4.582 0.997 361 1HB ALA 49 1HB ALA 49 -6.849 4.484 1.881 362 2HB ALA 49 2HB ALA 49 -5.629 3.405 2.560 363 3HB ALA 49 3HB ALA 49 -6.105 4.860 3.436 364 H GLU 50 H GLU 50 -5.883 5.359 -0.549 365 HA GLU 50 HA GLU 50 -6.920 8.059 -0.228 366 1HB GLU 50 1HB GLU 50 -4.503 7.904 -1.339 367 2HB GLU 50 2HB GLU 50 -5.456 7.528 -2.768 368 1HG GLU 50 1HG GLU 50 -5.074 9.848 -2.813 369 2HG GLU 50 2HG GLU 50 -6.754 9.633 -2.325 370 H VAL 51 H VAL 51 -8.789 6.526 -0.153 371 HA VAL 51 HA VAL 51 -10.306 6.679 -2.482 372 HB VAL 51 HB VAL 51 -10.364 3.985 -2.667 373 1HG1 VAL 51 1HG1 VAL 51 -9.805 6.070 -4.309 374 2HG1 VAL 51 2HG1 VAL 51 -8.284 5.179 -4.356 375 3HG1 VAL 51 3HG1 VAL 51 -9.790 4.376 -4.801 376 1HG2 VAL 51 1HG2 VAL 51 -8.148 4.262 -1.128 377 2HG2 VAL 51 2HG2 VAL 51 -8.418 2.921 -2.239 378 3HG2 VAL 51 3HG2 VAL 51 -7.436 4.295 -2.741 379 H ALA 52 H ALA 52 -12.418 5.783 -2.242 380 HA ALA 52 HA ALA 52 -13.003 4.849 0.496 381 1HB ALA 52 1HB ALA 52 -14.641 6.673 -1.242 382 2HB ALA 52 2HB ALA 52 -15.143 6.033 0.322 383 3HB ALA 52 3HB ALA 52 -13.759 7.120 0.221 384 H GLY 53 H GLY 53 -12.794 2.685 -0.466 385 1HA GLY 53 1HA GLY 53 -14.137 1.559 -2.517 386 2HA GLY 53 2HA GLY 53 -15.396 1.756 -1.315 387 H VAL 54 H VAL 54 -13.645 -0.535 -2.582 388 HA VAL 54 HA VAL 54 -12.914 -1.870 -0.066 389 HB VAL 54 HB VAL 54 -14.618 -3.096 -2.240 390 1HG1 VAL 54 1HG1 VAL 54 -12.953 -4.601 -1.044 391 2HG1 VAL 54 2HG1 VAL 54 -13.907 -4.325 0.413 392 3HG1 VAL 54 3HG1 VAL 54 -14.645 -5.095 -0.989 393 1HG2 VAL 54 1HG2 VAL 54 -15.689 -1.410 -0.648 394 2HG2 VAL 54 2HG2 VAL 54 -16.448 -2.997 -0.777 395 3HG2 VAL 54 3HG2 VAL 54 -15.430 -2.616 0.612 396 H VAL 55 H VAL 55 -11.149 -3.201 -0.191 397 HA VAL 55 HA VAL 55 -9.547 -3.043 -2.574 398 HB VAL 55 HB VAL 55 -9.017 -4.566 -0.023 399 1HG1 VAL 55 1HG1 VAL 55 -7.791 -5.423 -2.021 400 2HG1 VAL 55 2HG1 VAL 55 -7.093 -3.815 -2.230 401 3HG1 VAL 55 3HG1 VAL 55 -6.732 -4.750 -0.780 402 1HG2 VAL 55 1HG2 VAL 55 -9.208 -1.940 -0.112 403 2HG2 VAL 55 2HG2 VAL 55 -7.930 -2.730 0.811 404 3HG2 VAL 55 3HG2 VAL 55 -7.583 -2.070 -0.788 405 H LYS 56 H LYS 56 -8.867 -4.699 -3.876 406 HA LYS 56 HA LYS 56 -10.453 -7.180 -3.725 407 1HB LYS 56 1HB LYS 56 -9.320 -6.771 -6.335 408 2HB LYS 56 2HB LYS 56 -11.011 -6.954 -5.884 409 1HG LYS 56 1HG LYS 56 -9.588 -4.325 -5.634 410 2HG LYS 56 2HG LYS 56 -10.333 -4.845 -7.146 411 1HD LYS 56 1HD LYS 56 -11.953 -4.984 -4.653 412 2HD LYS 56 2HD LYS 56 -11.658 -3.399 -5.370 413 1HE LYS 56 1HE LYS 56 -13.397 -3.817 -6.699 414 2HE LYS 56 2HE LYS 56 -12.354 -4.970 -7.531 415 1HZ LYS 56 1HZ LYS 56 -13.163 -6.558 -5.663 416 2HZ LYS 56 2HZ LYS 56 -14.454 -5.470 -5.538 417 3HZ LYS 56 3HZ LYS 56 -14.153 -6.263 -7.002 418 H GLU 57 H GLU 57 -7.395 -5.746 -4.763 419 HA GLU 57 HA GLU 57 -6.169 -8.372 -4.452 420 1HB GLU 57 1HB GLU 57 -5.717 -6.152 -6.344 421 2HB GLU 57 2HB GLU 57 -4.278 -6.999 -5.792 422 1HG GLU 57 1HG GLU 57 -6.085 -9.011 -6.442 423 2HG GLU 57 2HG GLU 57 -6.269 -7.802 -7.712 424 H VAL 58 H VAL 58 -3.700 -8.132 -3.996 425 HA VAL 58 HA VAL 58 -2.901 -5.979 -2.275 426 HB VAL 58 HB VAL 58 -4.296 -7.170 -0.679 427 1HG1 VAL 58 1HG1 VAL 58 -3.562 -9.430 -2.065 428 2HG1 VAL 58 2HG1 VAL 58 -2.707 -9.606 -0.532 429 3HG1 VAL 58 3HG1 VAL 58 -4.459 -9.393 -0.546 430 1HG2 VAL 58 1HG2 VAL 58 -1.332 -7.503 -0.266 431 2HG2 VAL 58 2HG2 VAL 58 -2.359 -6.174 0.273 432 3HG2 VAL 58 3HG2 VAL 58 -2.525 -7.770 1.007 433 H LYS 59 H LYS 59 -0.783 -5.770 -2.498 434 HA LYS 59 HA LYS 59 0.867 -8.152 -2.965 435 1HB LYS 59 1HB LYS 59 1.347 -5.626 -4.514 436 2HB LYS 59 2HB LYS 59 1.924 -7.254 -4.853 437 1HG LYS 59 1HG LYS 59 -0.767 -7.603 -4.996 438 2HG LYS 59 2HG LYS 59 -0.593 -5.952 -5.594 439 1HD LYS 59 1HD LYS 59 1.403 -7.150 -6.943 440 2HD LYS 59 2HD LYS 59 0.286 -8.506 -6.780 441 1HE LYS 59 1HE LYS 59 -1.418 -6.538 -7.526 442 2HE LYS 59 2HE LYS 59 0.051 -6.031 -8.360 443 1HZ LYS 59 1HZ LYS 59 0.076 -8.561 -9.026 444 2HZ LYS 59 2HZ LYS 59 -1.590 -8.416 -8.775 445 3HZ LYS 59 3HZ LYS 59 -0.819 -7.427 -9.908 446 H VAL 60 H VAL 60 1.122 -7.561 -0.599 447 HA VAL 60 HA VAL 60 3.648 -6.348 -0.218 448 HB VAL 60 HB VAL 60 2.792 -4.209 -0.331 449 1HG1 VAL 60 1HG1 VAL 60 0.271 -5.192 1.000 450 2HG1 VAL 60 2HG1 VAL 60 0.579 -3.525 0.516 451 3HG1 VAL 60 3HG1 VAL 60 0.481 -4.794 -0.707 452 1HG2 VAL 60 1HG2 VAL 60 3.863 -4.503 1.865 453 2HG2 VAL 60 2HG2 VAL 60 2.605 -3.268 1.899 454 3HG2 VAL 60 3HG2 VAL 60 2.290 -4.867 2.573 455 H LYS 61 H LYS 61 4.325 -6.379 2.032 456 HA LYS 61 HA LYS 61 2.748 -7.486 4.098 457 1HB LYS 61 1HB LYS 61 3.308 -9.427 2.367 458 2HB LYS 61 2HB LYS 61 4.823 -9.453 3.258 459 1HG LYS 61 1HG LYS 61 3.872 -10.690 4.820 460 2HG LYS 61 2HG LYS 61 2.730 -9.386 5.156 461 1HD LYS 61 1HD LYS 61 1.613 -10.413 2.936 462 2HD LYS 61 2HD LYS 61 2.379 -11.864 3.585 463 1HE LYS 61 1HE LYS 61 0.710 -10.088 5.328 464 2HE LYS 61 2HE LYS 61 -0.038 -11.308 4.298 465 1HZ LYS 61 1HZ LYS 61 2.138 -12.406 5.755 466 2HZ LYS 61 2HZ LYS 61 1.028 -11.685 6.809 467 3HZ LYS 61 3HZ LYS 61 0.516 -12.888 5.732 468 H VAL 62 H VAL 62 4.547 -8.623 5.744 469 HA VAL 62 HA VAL 62 6.481 -6.459 6.143 470 HB VAL 62 HB VAL 62 5.567 -8.591 8.081 471 1HG1 VAL 62 1HG1 VAL 62 7.391 -6.219 8.379 472 2HG1 VAL 62 2HG1 VAL 62 6.615 -7.005 9.754 473 3HG1 VAL 62 3HG1 VAL 62 7.730 -7.913 8.734 474 1HG2 VAL 62 1HG2 VAL 62 4.074 -6.508 7.191 475 2HG2 VAL 62 2HG2 VAL 62 3.922 -7.232 8.792 476 3HG2 VAL 62 3HG2 VAL 62 4.890 -5.775 8.573 477 H GLY 63 H GLY 63 7.927 -7.331 4.493 478 1HA GLY 63 1HA GLY 63 9.294 -9.815 5.274 479 2HA GLY 63 2HA GLY 63 10.232 -8.339 5.119 480 H ASP 64 H ASP 64 9.068 -7.224 2.851 481 HA ASP 64 HA ASP 64 10.168 -8.992 0.819 482 1HB ASP 64 1HB ASP 64 8.164 -8.519 -0.673 483 2HB ASP 64 2HB ASP 64 7.898 -9.655 0.646 484 H LYS 65 H LYS 65 10.921 -7.929 -1.017 485 HA LYS 65 HA LYS 65 11.588 -5.168 -0.635 486 1HB LYS 65 1HB LYS 65 12.377 -7.342 -2.432 487 2HB LYS 65 2HB LYS 65 12.321 -5.771 -3.221 488 1HG LYS 65 1HG LYS 65 13.634 -5.247 -0.857 489 2HG LYS 65 2HG LYS 65 14.240 -6.836 -1.326 490 1HD LYS 65 1HD LYS 65 14.073 -4.916 -3.532 491 2HD LYS 65 2HD LYS 65 15.196 -4.451 -2.252 492 1HE LYS 65 1HE LYS 65 16.300 -5.763 -4.004 493 2HE LYS 65 2HE LYS 65 16.338 -6.584 -2.445 494 1HZ LYS 65 1HZ LYS 65 14.287 -7.798 -3.260 495 2HZ LYS 65 2HZ LYS 65 14.660 -7.207 -4.800 496 3HZ LYS 65 3HZ LYS 65 15.753 -8.215 -3.993 497 H ILE 66 H ILE 66 10.764 -3.390 -1.622 498 HA ILE 66 HA ILE 66 8.669 -3.795 -3.627 499 HB ILE 66 HB ILE 66 8.110 -3.106 -1.030 500 1HG1 ILE 66 1HG1 ILE 66 5.867 -2.643 -1.850 501 2HG1 ILE 66 2HG1 ILE 66 6.496 -2.402 -3.479 502 1HG2 ILE 66 1HG2 ILE 66 8.070 -0.542 -2.613 503 2HG2 ILE 66 2HG2 ILE 66 7.285 -0.788 -1.053 504 3HG2 ILE 66 3HG2 ILE 66 9.040 -0.886 -1.182 505 1HD1 ILE 66 1HD1 ILE 66 7.419 -4.909 -2.644 506 2HD1 ILE 66 2HD1 ILE 66 5.717 -4.821 -2.182 507 3HD1 ILE 66 3HD1 ILE 66 6.192 -4.554 -3.861 508 H SER 67 H SER 67 8.028 -1.592 -4.625 509 HA SER 67 HA SER 67 10.216 0.299 -4.817 510 1HB SER 67 1HB SER 67 10.163 0.060 -7.376 511 2HB SER 67 2HB SER 67 11.023 -1.181 -6.465 512 HG SER 67 HG SER 67 8.973 -1.477 -8.136 513 H GLU 68 H GLU 68 9.594 2.303 -5.526 514 HA GLU 68 HA GLU 68 7.069 3.238 -5.149 515 1HB GLU 68 1HB GLU 68 9.230 4.243 -6.989 516 2HB GLU 68 2HB GLU 68 7.731 5.124 -6.734 517 1HG GLU 68 1HG GLU 68 8.211 5.421 -4.420 518 2HG GLU 68 2HG GLU 68 9.595 4.333 -4.513 519 H GLY 69 H GLY 69 5.379 2.094 -5.997 520 1HA GLY 69 1HA GLY 69 5.012 2.361 -8.897 521 2HA GLY 69 2HA GLY 69 3.735 2.115 -7.718 522 H GLY 70 H GLY 70 4.104 -0.055 -6.426 523 1HA GLY 70 1HA GLY 70 4.965 -2.339 -6.664 524 2HA GLY 70 2HA GLY 70 4.813 -2.136 -8.403 525 H LEU 71 H LEU 71 2.186 -0.690 -7.870 526 HA LEU 71 HA LEU 71 -0.034 -1.163 -7.643 527 1HB LEU 71 1HB LEU 71 0.516 -2.336 -9.741 528 2HB LEU 71 2HB LEU 71 0.871 -3.790 -8.827 529 HG LEU 71 HG LEU 71 -1.410 -4.096 -8.237 530 1HD1 LEU 71 1HD1 LEU 71 -1.581 -1.238 -8.804 531 2HD1 LEU 71 2HD1 LEU 71 -2.942 -2.170 -9.426 532 3HD1 LEU 71 3HD1 LEU 71 -2.537 -2.238 -7.710 533 1HD2 LEU 71 1HD2 LEU 71 -0.752 -4.703 -10.558 534 2HD2 LEU 71 2HD2 LEU 71 -2.470 -4.349 -10.375 535 3HD2 LEU 71 3HD2 LEU 71 -1.396 -3.152 -11.099 536 H ILE 72 H ILE 72 0.997 -1.336 -5.245 537 HA ILE 72 HA ILE 72 1.079 -3.675 -3.832 538 HB ILE 72 HB ILE 72 0.350 -0.878 -3.097 539 1HG1 ILE 72 1HG1 ILE 72 2.349 -2.505 -1.638 540 2HG1 ILE 72 2HG1 ILE 72 2.688 -2.179 -3.335 541 1HG2 ILE 72 1HG2 ILE 72 -0.390 -3.251 -1.501 542 2HG2 ILE 72 2HG2 ILE 72 0.460 -1.970 -0.633 543 3HG2 ILE 72 3HG2 ILE 72 -1.047 -1.615 -1.476 544 1HD1 ILE 72 1HD1 ILE 72 1.851 0.230 -2.072 545 2HD1 ILE 72 2HD1 ILE 72 3.134 -0.517 -1.121 546 3HD1 ILE 72 3HD1 ILE 72 3.398 -0.156 -2.827 547 H VAL 73 H VAL 73 -1.805 -1.632 -3.431 548 HA VAL 73 HA VAL 73 -3.434 -4.077 -3.676 549 HB VAL 73 HB VAL 73 -4.932 -3.243 -1.960 550 1HG1 VAL 73 1HG1 VAL 73 -2.267 -4.087 -1.541 551 2HG1 VAL 73 2HG1 VAL 73 -2.639 -2.880 -0.309 552 3HG1 VAL 73 3HG1 VAL 73 -3.663 -4.305 -0.485 553 1HG2 VAL 73 1HG2 VAL 73 -3.041 -0.898 -1.807 554 2HG2 VAL 73 2HG2 VAL 73 -4.735 -0.869 -2.296 555 3HG2 VAL 73 3HG2 VAL 73 -4.305 -1.243 -0.627 556 H VAL 74 H VAL 74 -5.670 -3.737 -4.280 557 HA VAL 74 HA VAL 74 -6.123 -1.269 -5.838 558 HB VAL 74 HB VAL 74 -6.994 -4.043 -6.681 559 1HG1 VAL 74 1HG1 VAL 74 -8.201 -1.807 -7.378 560 2HG1 VAL 74 2HG1 VAL 74 -6.858 -1.707 -8.517 561 3HG1 VAL 74 3HG1 VAL 74 -7.934 -3.104 -8.541 562 1HG2 VAL 74 1HG2 VAL 74 -4.550 -2.459 -7.341 563 2HG2 VAL 74 2HG2 VAL 74 -4.718 -4.187 -7.023 564 3HG2 VAL 74 3HG2 VAL 74 -5.260 -3.517 -8.561 565 H VAL 75 H VAL 75 -8.068 -0.315 -5.473 566 HA VAL 75 HA VAL 75 -10.018 -1.827 -3.884 567 HB VAL 75 HB VAL 75 -10.686 0.274 -2.858 568 1HG1 VAL 75 1HG1 VAL 75 -8.094 -0.970 -2.557 569 2HG1 VAL 75 2HG1 VAL 75 -8.072 0.717 -2.046 570 3HG1 VAL 75 3HG1 VAL 75 -9.222 -0.407 -1.324 571 1HG2 VAL 75 1HG2 VAL 75 -9.594 1.476 -5.023 572 2HG2 VAL 75 2HG2 VAL 75 -10.005 2.306 -3.523 573 3HG2 VAL 75 3HG2 VAL 75 -8.350 1.769 -3.808 574 H GLU 76 H GLU 76 -12.191 -0.491 -3.882 575 HA GLU 76 HA GLU 76 -13.052 -0.430 -6.667 576 1HB GLU 76 1HB GLU 76 -14.203 -1.382 -4.283 577 2HB GLU 76 2HB GLU 76 -15.156 0.027 -4.734 578 1HG GLU 76 1HG GLU 76 -15.104 -1.134 -7.102 579 2HG GLU 76 2HG GLU 76 -14.834 -2.574 -6.123 580 H ALA 77 H ALA 77 -12.859 1.614 -3.816 581 HA ALA 77 HA ALA 77 -13.077 3.837 -3.479 582 1HB ALA 77 1HB ALA 77 -11.933 5.148 -4.922 583 2HB ALA 77 2HB ALA 77 -12.694 4.442 -6.348 584 3HB ALA 77 3HB ALA 77 -11.414 3.568 -5.505 585 H GLU 78 H GLU 78 -14.710 5.217 -3.235 586 HA GLU 78 HA GLU 78 -16.907 5.875 -3.270 587 1HB GLU 78 1HB GLU 78 -17.502 7.004 -5.401 588 2HB GLU 78 2HB GLU 78 -15.910 7.441 -4.797 589 1HG GLU 78 1HG GLU 78 -14.872 5.927 -6.391 590 2HG GLU 78 2HG GLU 78 -16.461 5.441 -6.980 591 H GLY 79 H GLY 79 -17.209 3.321 -3.069 592 1HA GLY 79 1HA GLY 79 -18.398 1.435 -3.680 593 2HA GLY 79 2HA GLY 79 -18.505 2.077 -5.312 594 H THR 80 H THR 80 -19.529 4.103 -2.720 595 HA THR 80 HA THR 80 -21.563 4.867 -2.046 596 HB THR 80 HB THR 80 -23.152 5.348 -3.738 597 HG1 THR 80 HG1 THR 80 -23.670 3.810 -5.041 598 1HG2 THR 80 1HG2 THR 80 -20.341 5.546 -4.483 599 2HG2 THR 80 2HG2 THR 80 -21.454 5.581 -5.851 600 3HG2 THR 80 3HG2 THR 80 -21.626 6.753 -4.545 601 H ALA 81 H ALA 81 -24.045 4.221 -2.039 602 HA ALA 81 HA ALA 81 -24.424 1.337 -1.960 603 1HB ALA 81 1HB ALA 81 -24.954 2.972 0.513 604 2HB ALA 81 2HB ALA 81 -23.489 2.021 0.268 605 3HB ALA 81 3HB ALA 81 -25.060 1.221 0.329 No H/Q in entry = 605 Start of MODEL 11 1 H1 ALA 1 H1 ALA 1 -13.213 6.080 -9.895 2 H2 ALA 1 H2 ALA 1 -14.335 6.182 -11.189 3 H3 ALA 1 H3 ALA 1 -14.868 5.730 -9.622 4 HA ALA 1 HA ALA 1 -14.786 3.745 -10.618 5 1HB ALA 1 1HB ALA 1 -13.512 3.175 -12.444 6 2HB ALA 1 2HB ALA 1 -12.180 4.235 -11.983 7 3HB ALA 1 3HB ALA 1 -13.656 4.919 -12.661 8 H LEU 2 H LEU 2 -12.709 2.005 -10.768 9 HA LEU 2 HA LEU 2 -12.033 1.598 -8.069 10 1HB LEU 2 1HB LEU 2 -11.090 0.378 -10.644 11 2HB LEU 2 2HB LEU 2 -10.365 -0.082 -9.116 12 HG LEU 2 HG LEU 2 -13.005 -0.395 -8.541 13 1HD1 LEU 2 1HD1 LEU 2 -12.657 -0.648 -11.477 14 2HD1 LEU 2 2HD1 LEU 2 -13.661 -1.843 -10.657 15 3HD1 LEU 2 3HD1 LEU 2 -14.059 -0.130 -10.541 16 1HD2 LEU 2 1HD2 LEU 2 -10.813 -1.944 -8.559 17 2HD2 LEU 2 2HD2 LEU 2 -12.436 -2.564 -8.261 18 3HD2 LEU 2 3HD2 LEU 2 -11.721 -2.698 -9.868 19 H VAL 3 H VAL 3 -9.641 1.128 -7.460 20 HA VAL 3 HA VAL 3 -7.890 3.261 -8.466 21 HB VAL 3 HB VAL 3 -8.683 2.773 -5.606 22 1HG1 VAL 3 1HG1 VAL 3 -6.244 2.696 -5.610 23 2HG1 VAL 3 2HG1 VAL 3 -6.191 4.223 -6.495 24 3HG1 VAL 3 3HG1 VAL 3 -6.831 4.179 -4.851 25 1HG2 VAL 3 1HG2 VAL 3 -9.321 4.700 -7.524 26 2HG2 VAL 3 2HG2 VAL 3 -9.711 4.727 -5.804 27 3HG2 VAL 3 3HG2 VAL 3 -8.237 5.501 -6.386 28 H GLU 4 H GLU 4 -5.618 2.940 -7.912 29 HA GLU 4 HA GLU 4 -4.910 0.152 -7.320 30 1HB GLU 4 1HB GLU 4 -4.010 1.824 -9.657 31 2HB GLU 4 2HB GLU 4 -3.051 0.471 -9.071 32 1HG GLU 4 1HG GLU 4 -4.319 -0.384 -10.839 33 2HG GLU 4 2HG GLU 4 -5.125 -0.948 -9.377 34 H LEU 5 H LEU 5 -3.953 0.390 -5.382 35 HA LEU 5 HA LEU 5 -2.546 2.657 -4.513 36 1HB LEU 5 1HB LEU 5 -3.268 0.123 -3.463 37 2HB LEU 5 2HB LEU 5 -1.546 0.327 -3.195 38 HG LEU 5 HG LEU 5 -2.969 1.087 -1.298 39 1HD1 LEU 5 1HD1 LEU 5 -0.658 2.057 -2.050 40 2HD1 LEU 5 2HD1 LEU 5 -1.608 3.505 -2.382 41 3HD1 LEU 5 3HD1 LEU 5 -1.576 2.826 -0.755 42 1HD2 LEU 5 1HD2 LEU 5 -4.542 2.205 -3.242 43 2HD2 LEU 5 2HD2 LEU 5 -4.632 2.565 -1.519 44 3HD2 LEU 5 3HD2 LEU 5 -3.690 3.604 -2.587 45 H LYS 6 H LYS 6 -0.244 2.823 -4.007 46 HA LYS 6 HA LYS 6 1.540 1.151 -5.585 47 1HB LYS 6 1HB LYS 6 1.210 4.115 -6.032 48 2HB LYS 6 2HB LYS 6 2.610 3.208 -6.583 49 1HG LYS 6 1HG LYS 6 0.611 1.705 -7.610 50 2HG LYS 6 2HG LYS 6 -0.121 3.311 -7.656 51 1HD LYS 6 1HD LYS 6 2.398 3.800 -8.599 52 2HD LYS 6 2HD LYS 6 2.071 2.191 -9.242 53 1HE LYS 6 1HE LYS 6 0.087 2.951 -10.332 54 2HE LYS 6 2HE LYS 6 0.174 4.514 -9.520 55 1HZ LYS 6 1HZ LYS 6 2.576 4.236 -10.824 56 2HZ LYS 6 2HZ LYS 6 1.425 3.671 -11.928 57 3HZ LYS 6 3HZ LYS 6 1.287 5.229 -11.283 58 H VAL 7 H VAL 7 3.634 1.127 -4.890 59 HA VAL 7 HA VAL 7 4.224 1.472 -2.239 60 HB VAL 7 HB VAL 7 6.072 1.524 -4.622 61 1HG1 VAL 7 1HG1 VAL 7 7.081 2.557 -2.551 62 2HG1 VAL 7 2HG1 VAL 7 6.904 0.981 -1.789 63 3HG1 VAL 7 3HG1 VAL 7 7.931 1.159 -3.206 64 1HG2 VAL 7 1HG2 VAL 7 4.660 -0.492 -4.238 65 2HG2 VAL 7 2HG2 VAL 7 6.399 -0.790 -4.213 66 3HG2 VAL 7 3HG2 VAL 7 5.496 -0.708 -2.700 67 HA PRO 8 HA PRO 8 4.672 5.845 -1.727 68 1HB PRO 8 1HB PRO 8 5.856 5.890 0.690 69 2HB PRO 8 2HB PRO 8 4.162 5.427 0.479 70 1HG PRO 8 1HG PRO 8 6.568 3.688 0.867 71 2HG PRO 8 2HG PRO 8 4.944 3.524 1.560 72 1HD PRO 8 1HD PRO 8 5.836 2.094 -0.603 73 2HD PRO 8 2HD PRO 8 4.129 2.460 -0.298 74 H ASP 9 H ASP 9 6.540 7.273 -0.569 75 HA ASP 9 HA ASP 9 8.783 7.080 -2.372 76 1HB ASP 9 1HB ASP 9 7.593 9.103 -0.614 77 2HB ASP 9 2HB ASP 9 9.354 9.147 -0.653 78 H ILE 10 H ILE 10 9.768 5.140 -1.613 79 HA ILE 10 HA ILE 10 11.006 5.312 1.044 80 HB ILE 10 HB ILE 10 11.669 2.833 0.333 81 1HG1 ILE 10 1HG1 ILE 10 9.798 1.766 -0.886 82 2HG1 ILE 10 2HG1 ILE 10 9.092 3.353 -1.170 83 1HG2 ILE 10 1HG2 ILE 10 8.999 3.705 1.425 84 2HG2 ILE 10 2HG2 ILE 10 9.622 2.057 1.508 85 3HG2 ILE 10 3HG2 ILE 10 10.468 3.361 2.342 86 1HD1 ILE 10 1HD1 ILE 10 11.080 3.984 -2.461 87 2HD1 ILE 10 2HD1 ILE 10 11.739 2.369 -2.208 88 3HD1 ILE 10 3HD1 ILE 10 10.254 2.580 -3.137 89 H GLY 11 H GLY 11 12.381 6.993 -0.125 90 1HA GLY 11 1HA GLY 11 14.880 5.687 -0.839 91 2HA GLY 11 2HA GLY 11 14.664 7.388 -0.467 92 H GLY 12 H GLY 12 12.263 7.037 -2.517 93 1HA GLY 12 1HA GLY 12 13.492 8.350 -4.648 94 2HA GLY 12 2HA GLY 12 11.942 7.528 -4.732 95 H HIS 13 H HIS 13 13.543 5.007 -3.874 96 HA HIS 13 HA HIS 13 14.493 4.389 -6.591 97 1HB HIS 13 1HB HIS 13 15.981 2.659 -5.321 98 2HB HIS 13 2HB HIS 13 16.489 4.340 -5.416 99 HD1 HIS 13 HD1 HIS 13 17.618 4.816 -3.270 100 HD2 HIS 13 HD2 HIS 13 14.109 2.657 -2.725 101 HE1 HIS 13 HE1 HIS 13 17.332 4.616 -0.780 102 HE2 HIS 13 HE2 HIS 13 15.170 3.360 -0.474 103 H GLU 14 H GLU 14 14.796 1.757 -6.568 104 HA GLU 14 HA GLU 14 12.092 0.775 -5.968 105 1HB GLU 14 1HB GLU 14 14.145 -0.088 -8.000 106 2HB GLU 14 2HB GLU 14 12.704 -1.030 -7.645 107 1HG GLU 14 1HG GLU 14 11.840 0.143 -9.348 108 2HG GLU 14 2HG GLU 14 11.587 1.370 -8.107 109 H ASN 15 H ASN 15 12.120 -1.743 -5.778 110 HA ASN 15 HA ASN 15 12.414 -3.417 -4.258 111 1HB ASN 15 1HB ASN 15 14.636 -4.416 -4.297 112 2HB ASN 15 2HB ASN 15 14.178 -3.887 -5.912 113 1HD2 ASN 15 2HD2 ASN 15 16.413 -3.591 -3.356 114 2HD2 ASN 15 1HD2 ASN 15 17.447 -2.417 -4.089 115 H VAL 16 H VAL 16 11.754 -2.630 -2.305 116 HA VAL 16 HA VAL 16 13.911 -1.890 -0.456 117 HB VAL 16 HB VAL 16 12.484 -0.240 0.660 118 1HG1 VAL 16 1HG1 VAL 16 14.055 0.262 -1.343 119 2HG1 VAL 16 2HG1 VAL 16 12.554 0.595 -2.207 120 3HG1 VAL 16 3HG1 VAL 16 12.962 1.516 -0.758 121 1HG2 VAL 16 1HG2 VAL 16 10.414 -1.439 -0.689 122 2HG2 VAL 16 2HG2 VAL 16 10.320 0.076 0.212 123 3HG2 VAL 16 3HG2 VAL 16 10.595 0.101 -1.532 124 H ASP 17 H ASP 17 12.659 -1.743 1.882 125 HA ASP 17 HA ASP 17 11.232 -4.313 2.083 126 1HB ASP 17 1HB ASP 17 13.302 -3.048 3.851 127 2HB ASP 17 2HB ASP 17 12.168 -4.222 4.509 128 H ILE 18 H ILE 18 9.178 -4.163 2.698 129 HA ILE 18 HA ILE 18 8.041 -1.731 3.606 130 HB ILE 18 HB ILE 18 6.944 -4.541 3.481 131 1HG1 ILE 18 1HG1 ILE 18 5.948 -2.199 1.918 132 2HG1 ILE 18 2HG1 ILE 18 7.447 -2.979 1.424 133 1HG2 ILE 18 1HG2 ILE 18 5.498 -2.012 4.263 134 2HG2 ILE 18 2HG2 ILE 18 4.725 -3.559 3.913 135 3HG2 ILE 18 3HG2 ILE 18 5.809 -3.406 5.295 136 1HD1 ILE 18 1HD1 ILE 18 5.321 -4.888 1.921 137 2HD1 ILE 18 2HD1 ILE 18 4.907 -3.712 0.674 138 3HD1 ILE 18 3HD1 ILE 18 6.364 -4.691 0.513 139 H ILE 19 H ILE 19 6.894 -1.455 5.647 140 HA ILE 19 HA ILE 19 8.158 -2.965 7.835 141 HB ILE 19 HB ILE 19 9.113 -1.163 8.713 142 1HG1 ILE 19 1HG1 ILE 19 6.510 0.362 8.465 143 2HG1 ILE 19 2HG1 ILE 19 6.982 -0.626 9.842 144 1HG2 ILE 19 1HG2 ILE 19 8.033 0.211 6.270 145 2HG2 ILE 19 2HG2 ILE 19 9.120 1.002 7.412 146 3HG2 ILE 19 3HG2 ILE 19 9.652 -0.437 6.541 147 1HD1 ILE 19 1HD1 ILE 19 9.034 0.929 9.957 148 2HD1 ILE 19 2HD1 ILE 19 8.069 2.005 8.947 149 3HD1 ILE 19 3HD1 ILE 19 7.475 1.517 10.534 150 H ALA 20 H ALA 20 5.260 -1.832 6.458 151 HA ALA 20 HA ALA 20 3.763 -2.977 8.668 152 1HB ALA 20 1HB ALA 20 4.109 -0.412 8.927 153 2HB ALA 20 2HB ALA 20 2.868 -0.308 7.677 154 3HB ALA 20 3HB ALA 20 2.515 -1.114 9.206 155 H VAL 21 H VAL 21 1.659 -3.629 8.120 156 HA VAL 21 HA VAL 21 0.852 -3.340 5.319 157 HB VAL 21 HB VAL 21 2.086 -5.468 5.467 158 1HG1 VAL 21 1HG1 VAL 21 1.569 -5.882 7.869 159 2HG1 VAL 21 2HG1 VAL 21 -0.060 -6.354 7.386 160 3HG1 VAL 21 3HG1 VAL 21 1.329 -7.286 6.828 161 1HG2 VAL 21 1HG2 VAL 21 0.200 -5.208 3.902 162 2HG2 VAL 21 2HG2 VAL 21 0.397 -6.875 4.446 163 3HG2 VAL 21 3HG2 VAL 21 -0.885 -5.871 5.125 164 H GLU 22 H GLU 22 -1.221 -2.767 5.200 165 HA GLU 22 HA GLU 22 -3.058 -3.672 7.311 166 1HB GLU 22 1HB GLU 22 -3.018 -0.886 6.142 167 2HB GLU 22 2HB GLU 22 -4.120 -1.485 7.373 168 1HG GLU 22 1HG GLU 22 -1.304 -1.797 8.069 169 2HG GLU 22 2HG GLU 22 -1.802 -0.122 7.835 170 H VAL 23 H VAL 23 -2.639 -4.750 4.687 171 HA VAL 23 HA VAL 23 -5.319 -4.273 3.577 172 HB VAL 23 HB VAL 23 -4.322 -4.692 1.288 173 1HG1 VAL 23 1HG1 VAL 23 -4.751 -2.379 2.671 174 2HG1 VAL 23 2HG1 VAL 23 -3.084 -2.176 2.129 175 3HG1 VAL 23 3HG1 VAL 23 -4.364 -2.475 0.953 176 1HG2 VAL 23 1HG2 VAL 23 -2.073 -5.373 2.589 177 2HG2 VAL 23 2HG2 VAL 23 -2.091 -4.791 0.924 178 3HG2 VAL 23 3HG2 VAL 23 -1.717 -3.681 2.243 179 H ASN 24 H ASN 24 -6.430 -6.084 3.754 180 HA ASN 24 HA ASN 24 -5.023 -8.654 3.433 181 1HB ASN 24 1HB ASN 24 -6.293 -7.898 5.651 182 2HB ASN 24 2HB ASN 24 -7.678 -8.527 4.765 183 1HD2 ASN 24 2HD2 ASN 24 -8.092 -10.376 5.795 184 2HD2 ASN 24 1HD2 ASN 24 -6.968 -11.672 5.996 185 H VAL 25 H VAL 25 -6.566 -6.741 1.525 186 HA VAL 25 HA VAL 25 -7.838 -6.927 -0.329 187 HB VAL 25 HB VAL 25 -6.367 -9.244 -0.250 188 1HG1 VAL 25 1HG1 VAL 25 -8.340 -10.508 0.621 189 2HG1 VAL 25 2HG1 VAL 25 -9.180 -10.126 -0.879 190 3HG1 VAL 25 3HG1 VAL 25 -7.715 -11.105 -0.915 191 1HG2 VAL 25 1HG2 VAL 25 -7.946 -7.767 -2.218 192 2HG2 VAL 25 2HG2 VAL 25 -6.274 -8.328 -2.283 193 3HG2 VAL 25 3HG2 VAL 25 -7.592 -9.437 -2.663 194 H GLY 26 H GLY 26 -9.905 -6.398 -0.325 195 1HA GLY 26 1HA GLY 26 -11.884 -8.269 0.713 196 2HA GLY 26 2HA GLY 26 -12.211 -6.826 -0.233 197 H ASP 27 H ASP 27 -10.378 -5.293 1.626 198 HA ASP 27 HA ASP 27 -12.142 -5.173 3.977 199 1HB ASP 27 1HB ASP 27 -9.339 -5.231 3.765 200 2HB ASP 27 2HB ASP 27 -9.747 -3.586 4.241 201 H THR 28 H THR 28 -12.940 -3.186 4.703 202 HA THR 28 HA THR 28 -13.590 -1.323 2.658 203 HB THR 28 HB THR 28 -13.915 -0.969 5.642 204 HG1 THR 28 HG1 THR 28 -15.434 -2.395 5.559 205 1HG2 THR 28 1HG2 THR 28 -14.360 1.044 4.289 206 2HG2 THR 28 2HG2 THR 28 -15.573 0.133 3.390 207 3HG2 THR 28 3HG2 THR 28 -15.789 0.426 5.116 208 H ILE 29 H ILE 29 -12.744 0.633 2.163 209 HA ILE 29 HA ILE 29 -10.512 1.606 3.815 210 HB ILE 29 HB ILE 29 -9.511 2.469 1.642 211 1HG1 ILE 29 1HG1 ILE 29 -10.929 0.255 0.246 212 2HG1 ILE 29 2HG1 ILE 29 -11.816 1.752 0.496 213 1HG2 ILE 29 1HG2 ILE 29 -9.599 -0.344 2.572 214 2HG2 ILE 29 2HG2 ILE 29 -8.788 -0.008 1.045 215 3HG2 ILE 29 3HG2 ILE 29 -8.251 0.792 2.521 216 1HD1 ILE 29 1HD1 ILE 29 -9.129 1.598 -0.839 217 2HD1 ILE 29 2HD1 ILE 29 -10.670 1.596 -1.698 218 3HD1 ILE 29 3HD1 ILE 29 -10.197 2.995 -0.740 219 H ALA 30 H ALA 30 -10.043 3.907 3.565 220 HA ALA 30 HA ALA 30 -12.357 5.487 2.672 221 1HB ALA 30 1HB ALA 30 -10.866 5.912 5.261 222 2HB ALA 30 2HB ALA 30 -12.191 6.900 4.646 223 3HB ALA 30 3HB ALA 30 -12.482 5.222 5.107 224 H VAL 31 H VAL 31 -11.576 7.982 3.035 225 HA VAL 31 HA VAL 31 -9.272 8.220 1.267 226 HB VAL 31 HB VAL 31 -10.985 10.495 2.243 227 1HG1 VAL 31 1HG1 VAL 31 -9.100 10.048 -0.040 228 2HG1 VAL 31 2HG1 VAL 31 -10.350 11.289 -0.131 229 3HG1 VAL 31 3HG1 VAL 31 -9.130 11.357 1.142 230 1HG2 VAL 31 1HG2 VAL 31 -11.847 8.267 0.699 231 2HG2 VAL 31 2HG2 VAL 31 -12.744 9.722 1.130 232 3HG2 VAL 31 3HG2 VAL 31 -11.788 9.682 -0.352 233 H ASP 32 H ASP 32 -8.606 7.411 3.855 234 HA ASP 32 HA ASP 32 -6.464 8.951 4.530 235 1HB ASP 32 1HB ASP 32 -7.374 10.085 6.662 236 2HB ASP 32 2HB ASP 32 -7.704 10.860 5.116 237 H ASP 33 H ASP 33 -6.179 6.545 4.650 238 HA ASP 33 HA ASP 33 -6.336 5.729 7.449 239 1HB ASP 33 1HB ASP 33 -7.092 3.416 6.676 240 2HB ASP 33 2HB ASP 33 -8.312 4.687 6.664 241 H THR 34 H THR 34 -4.374 5.097 8.044 242 HA THR 34 HA THR 34 -2.206 4.789 6.346 243 HB THR 34 HB THR 34 -1.382 3.326 8.408 244 HG1 THR 34 HG1 THR 34 -3.226 3.221 9.573 245 1HG2 THR 34 1HG2 THR 34 -0.555 5.568 7.672 246 2HG2 THR 34 2HG2 THR 34 -1.779 6.277 8.728 247 3HG2 THR 34 3HG2 THR 34 -0.504 5.266 9.410 248 H LEU 35 H LEU 35 -1.807 3.349 4.870 249 HA LEU 35 HA LEU 35 -3.036 0.705 5.019 250 1HB LEU 35 1HB LEU 35 -1.451 2.032 2.814 251 2HB LEU 35 2HB LEU 35 -2.208 0.454 2.701 252 HG LEU 35 HG LEU 35 -3.582 3.127 2.932 253 1HD1 LEU 35 1HD1 LEU 35 -3.327 1.046 0.790 254 2HD1 LEU 35 2HD1 LEU 35 -4.662 2.199 0.802 255 3HD1 LEU 35 3HD1 LEU 35 -3.000 2.777 0.701 256 1HD2 LEU 35 1HD2 LEU 35 -4.640 0.345 3.285 257 2HD2 LEU 35 2HD2 LEU 35 -4.929 1.779 4.270 258 3HD2 LEU 35 3HD2 LEU 35 -5.668 1.643 2.675 259 H ILE 36 H ILE 36 0.087 2.291 5.005 260 HA ILE 36 HA ILE 36 1.312 0.016 6.277 261 HB ILE 36 HB ILE 36 3.036 -0.424 4.683 262 1HG1 ILE 36 1HG1 ILE 36 3.653 1.397 3.452 263 2HG1 ILE 36 2HG1 ILE 36 2.579 0.666 2.277 264 1HG2 ILE 36 1HG2 ILE 36 0.902 -1.616 4.430 265 2HG2 ILE 36 2HG2 ILE 36 0.413 -0.437 3.214 266 3HG2 ILE 36 3HG2 ILE 36 1.804 -1.482 2.921 267 1HD1 ILE 36 1HD1 ILE 36 0.779 2.177 3.172 268 2HD1 ILE 36 2HD1 ILE 36 2.056 3.019 4.049 269 3HD1 ILE 36 3HD1 ILE 36 2.096 2.945 2.293 270 H THR 37 H THR 37 3.878 0.527 6.209 271 HA THR 37 HA THR 37 4.360 3.374 6.556 272 HB THR 37 HB THR 37 4.881 1.356 8.752 273 HG1 THR 37 HG1 THR 37 3.192 3.627 8.791 274 1HG2 THR 37 1HG2 THR 37 6.321 3.649 8.259 275 2HG2 THR 37 2HG2 THR 37 5.130 4.149 9.459 276 3HG2 THR 37 3HG2 THR 37 6.204 2.792 9.796 277 H LEU 38 H LEU 38 5.163 1.853 4.537 278 HA LEU 38 HA LEU 38 7.382 0.354 4.463 279 1HB LEU 38 1HB LEU 38 6.186 2.350 2.696 280 2HB LEU 38 2HB LEU 38 7.896 2.081 2.404 281 HG LEU 38 HG LEU 38 7.131 -0.463 2.474 282 1HD1 LEU 38 1HD1 LEU 38 4.656 1.095 1.802 283 2HD1 LEU 38 2HD1 LEU 38 4.919 -0.544 1.206 284 3HD1 LEU 38 3HD1 LEU 38 4.847 -0.238 2.941 285 1HD2 LEU 38 1HD2 LEU 38 7.558 1.526 0.436 286 2HD2 LEU 38 2HD2 LEU 38 8.020 -0.179 0.460 287 3HD2 LEU 38 3HD2 LEU 38 6.417 0.293 -0.101 288 H GLU 39 H GLU 39 9.648 0.894 3.825 289 HA GLU 39 HA GLU 39 10.820 3.376 4.463 290 1HB GLU 39 1HB GLU 39 10.292 2.921 6.742 291 2HB GLU 39 2HB GLU 39 10.872 1.269 6.615 292 1HG GLU 39 1HG GLU 39 13.153 2.062 6.376 293 2HG GLU 39 2HG GLU 39 12.591 3.733 6.436 294 H THR 40 H THR 40 13.219 3.241 4.550 295 HA THR 40 HA THR 40 14.200 0.876 3.086 296 HB THR 40 HB THR 40 15.567 2.237 1.737 297 HG1 THR 40 HG1 THR 40 15.030 4.294 3.600 298 1HG2 THR 40 1HG2 THR 40 12.821 3.214 2.042 299 2HG2 THR 40 2HG2 THR 40 13.943 4.313 1.242 300 3HG2 THR 40 3HG2 THR 40 13.698 2.687 0.607 301 H ASP 41 H ASP 41 16.920 1.765 3.105 302 HA ASP 41 HA ASP 41 17.758 0.731 5.602 303 1HB ASP 41 1HB ASP 41 18.979 0.768 3.295 304 2HB ASP 41 2HB ASP 41 19.565 2.341 3.825 305 H LYS 42 H LYS 42 17.007 3.912 4.497 306 HA LYS 42 HA LYS 42 17.312 4.989 7.131 307 1HB LYS 42 1HB LYS 42 19.651 5.064 6.143 308 2HB LYS 42 2HB LYS 42 19.029 6.233 4.985 309 1HG LYS 42 1HG LYS 42 19.878 7.635 6.567 310 2HG LYS 42 2HG LYS 42 18.223 7.471 7.155 311 1HD LYS 42 1HD LYS 42 19.890 5.360 8.191 312 2HD LYS 42 2HD LYS 42 20.584 6.941 8.557 313 1HE LYS 42 1HE LYS 42 18.815 7.569 9.868 314 2HE LYS 42 2HE LYS 42 17.670 6.545 9.000 315 1HZ LYS 42 1HZ LYS 42 19.793 5.242 10.540 316 2HZ LYS 42 2HZ LYS 42 18.506 5.932 11.393 317 3HZ LYS 42 3HZ LYS 42 18.207 4.732 10.241 318 H ALA 43 H ALA 43 15.024 4.820 5.872 319 HA ALA 43 HA ALA 43 14.068 7.444 5.698 320 1HB ALA 43 1HB ALA 43 14.572 6.117 3.041 321 2HB ALA 43 2HB ALA 43 15.181 7.672 3.607 322 3HB ALA 43 3HB ALA 43 13.463 7.471 3.259 323 H THR 44 H THR 44 12.150 7.096 6.601 324 HA THR 44 HA THR 44 10.666 4.662 5.933 325 HB THR 44 HB THR 44 9.561 4.860 7.971 326 HG1 THR 44 HG1 THR 44 9.574 6.893 9.135 327 1HG2 THR 44 1HG2 THR 44 12.322 5.153 8.060 328 2HG2 THR 44 2HG2 THR 44 11.695 6.326 9.221 329 3HG2 THR 44 3HG2 THR 44 11.260 4.622 9.365 330 H MET 45 H MET 45 8.624 4.670 5.091 331 HA MET 45 HA MET 45 7.327 7.230 4.549 332 1HB MET 45 1HB MET 45 8.836 5.960 2.594 333 2HB MET 45 2HB MET 45 7.185 5.474 2.229 334 1HG MET 45 1HG MET 45 8.268 8.271 2.434 335 2HG MET 45 2HG MET 45 7.673 7.450 0.995 336 1HE MET 45 1HE MET 45 7.202 10.145 1.990 337 2HE MET 45 2HE MET 45 5.503 10.412 1.602 338 3HE MET 45 3HE MET 45 6.032 10.395 3.284 339 H ASP 46 H ASP 46 5.182 7.136 4.797 340 HA ASP 46 HA ASP 46 3.919 4.472 4.881 341 1HB ASP 46 1HB ASP 46 2.421 5.307 6.621 342 2HB ASP 46 2HB ASP 46 4.100 5.486 7.124 343 H VAL 47 H VAL 47 1.418 4.736 4.704 344 HA VAL 47 HA VAL 47 0.683 6.864 2.848 345 HB VAL 47 HB VAL 47 0.352 3.932 2.189 346 1HG1 VAL 47 1HG1 VAL 47 -1.340 6.073 1.505 347 2HG1 VAL 47 2HG1 VAL 47 -0.390 5.711 0.064 348 3HG1 VAL 47 3HG1 VAL 47 -1.338 4.441 0.838 349 1HG2 VAL 47 1HG2 VAL 47 1.922 6.138 0.862 350 2HG2 VAL 47 2HG2 VAL 47 2.577 4.733 1.704 351 3HG2 VAL 47 3HG2 VAL 47 1.690 4.522 0.195 352 HA PRO 48 HA PRO 48 -2.952 6.280 5.444 353 1HB PRO 48 1HB PRO 48 -3.854 8.771 5.322 354 2HB PRO 48 2HB PRO 48 -2.361 8.404 6.197 355 1HG PRO 48 1HG PRO 48 -2.728 9.646 3.513 356 2HG PRO 48 2HG PRO 48 -1.511 9.990 4.752 357 1HD PRO 48 1HD PRO 48 -1.179 8.348 2.486 358 2HD PRO 48 2HD PRO 48 -0.085 8.454 3.879 359 H ALA 49 H ALA 49 -2.938 5.497 2.612 360 HA ALA 49 HA ALA 49 -4.396 5.055 0.919 361 1HB ALA 49 1HB ALA 49 -6.894 5.764 2.078 362 2HB ALA 49 2HB ALA 49 -5.896 5.012 3.322 363 3HB ALA 49 3HB ALA 49 -6.217 4.157 1.814 364 H GLU 50 H GLU 50 -5.933 6.039 -0.611 365 HA GLU 50 HA GLU 50 -6.207 8.933 -0.360 366 1HB GLU 50 1HB GLU 50 -4.624 7.482 -2.402 367 2HB GLU 50 2HB GLU 50 -5.582 8.849 -2.954 368 1HG GLU 50 1HG GLU 50 -4.280 10.367 -1.906 369 2HG GLU 50 2HG GLU 50 -3.917 9.291 -0.557 370 H VAL 51 H VAL 51 -8.135 6.872 -0.085 371 HA VAL 51 HA VAL 51 -10.306 7.847 -1.413 372 HB VAL 51 HB VAL 51 -9.537 7.413 -3.573 373 1HG1 VAL 51 1HG1 VAL 51 -8.232 5.055 -2.331 374 2HG1 VAL 51 2HG1 VAL 51 -8.606 4.988 -4.055 375 3HG1 VAL 51 3HG1 VAL 51 -7.572 6.274 -3.421 376 1HG2 VAL 51 1HG2 VAL 51 -11.785 6.297 -3.014 377 2HG2 VAL 51 2HG2 VAL 51 -10.986 5.838 -4.516 378 3HG2 VAL 51 3HG2 VAL 51 -10.899 4.776 -3.112 379 H ALA 52 H ALA 52 -12.204 6.560 -1.140 380 HA ALA 52 HA ALA 52 -11.954 4.598 0.982 381 1HB ALA 52 1HB ALA 52 -13.739 6.487 0.732 382 2HB ALA 52 2HB ALA 52 -14.548 5.319 -0.316 383 3HB ALA 52 3HB ALA 52 -14.214 4.912 1.369 384 H GLY 53 H GLY 53 -14.139 2.948 0.459 385 1HA GLY 53 1HA GLY 53 -13.405 1.655 -2.085 386 2HA GLY 53 2HA GLY 53 -14.983 1.529 -1.334 387 H VAL 54 H VAL 54 -13.417 -0.635 -2.232 388 HA VAL 54 HA VAL 54 -12.517 -1.935 0.246 389 HB VAL 54 HB VAL 54 -14.444 -3.146 -1.746 390 1HG1 VAL 54 1HG1 VAL 54 -12.710 -4.306 0.300 391 2HG1 VAL 54 2HG1 VAL 54 -14.403 -4.776 0.459 392 3HG1 VAL 54 3HG1 VAL 54 -13.543 -5.075 -1.052 393 1HG2 VAL 54 1HG2 VAL 54 -14.802 -2.053 1.029 394 2HG2 VAL 54 2HG2 VAL 54 -15.713 -1.680 -0.434 395 3HG2 VAL 54 3HG2 VAL 54 -15.910 -3.246 0.353 396 H VAL 55 H VAL 55 -10.719 -3.180 -0.016 397 HA VAL 55 HA VAL 55 -9.316 -3.081 -2.476 398 HB VAL 55 HB VAL 55 -8.733 -4.828 -0.086 399 1HG1 VAL 55 1HG1 VAL 55 -7.667 -5.545 -2.237 400 2HG1 VAL 55 2HG1 VAL 55 -6.885 -3.965 -2.315 401 3HG1 VAL 55 3HG1 VAL 55 -6.516 -5.067 -0.988 402 1HG2 VAL 55 1HG2 VAL 55 -8.814 -2.299 0.247 403 2HG2 VAL 55 2HG2 VAL 55 -7.329 -3.123 0.720 404 3HG2 VAL 55 3HG2 VAL 55 -7.397 -2.232 -0.801 405 H LYS 56 H LYS 56 -8.827 -4.642 -3.937 406 HA LYS 56 HA LYS 56 -10.488 -7.077 -3.873 407 1HB LYS 56 1HB LYS 56 -9.556 -6.442 -6.525 408 2HB LYS 56 2HB LYS 56 -11.206 -6.667 -5.960 409 1HG LYS 56 1HG LYS 56 -9.808 -4.068 -5.494 410 2HG LYS 56 2HG LYS 56 -10.513 -4.433 -7.068 411 1HD LYS 56 1HD LYS 56 -12.043 -4.613 -4.479 412 2HD LYS 56 2HD LYS 56 -12.010 -3.168 -5.492 413 1HE LYS 56 1HE LYS 56 -13.505 -4.022 -6.906 414 2HE LYS 56 2HE LYS 56 -12.614 -5.538 -7.035 415 1HZ LYS 56 1HZ LYS 56 -14.168 -5.043 -4.601 416 2HZ LYS 56 2HZ LYS 56 -15.005 -5.460 -6.012 417 3HZ LYS 56 3HZ LYS 56 -13.829 -6.503 -5.384 418 H GLU 57 H GLU 57 -7.479 -5.596 -4.957 419 HA GLU 57 HA GLU 57 -6.296 -8.259 -5.039 420 1HB GLU 57 1HB GLU 57 -5.947 -5.859 -6.712 421 2HB GLU 57 2HB GLU 57 -4.471 -6.739 -6.336 422 1HG GLU 57 1HG GLU 57 -6.933 -7.954 -7.567 423 2HG GLU 57 2HG GLU 57 -5.507 -7.426 -8.461 424 H VAL 58 H VAL 58 -3.800 -8.111 -4.711 425 HA VAL 58 HA VAL 58 -2.723 -6.168 -2.959 426 HB VAL 58 HB VAL 58 -4.292 -7.198 -1.354 427 1HG1 VAL 58 1HG1 VAL 58 -3.412 -9.599 -2.581 428 2HG1 VAL 58 2HG1 VAL 58 -2.980 -9.670 -0.874 429 3HG1 VAL 58 3HG1 VAL 58 -4.655 -9.387 -1.348 430 1HG2 VAL 58 1HG2 VAL 58 -1.338 -7.434 -0.985 431 2HG2 VAL 58 2HG2 VAL 58 -2.475 -6.302 -0.253 432 3HG2 VAL 58 3HG2 VAL 58 -2.423 -7.977 0.295 433 H LYS 59 H LYS 59 -0.541 -6.383 -2.861 434 HA LYS 59 HA LYS 59 0.719 -8.948 -3.329 435 1HB LYS 59 1HB LYS 59 1.042 -6.649 -5.266 436 2HB LYS 59 2HB LYS 59 2.064 -8.082 -5.241 437 1HG LYS 59 1HG LYS 59 0.590 -8.700 -6.854 438 2HG LYS 59 2HG LYS 59 -0.266 -9.310 -5.435 439 1HD LYS 59 1HD LYS 59 -1.984 -8.156 -6.359 440 2HD LYS 59 2HD LYS 59 -1.238 -6.816 -5.487 441 1HE LYS 59 1HE LYS 59 -0.993 -7.508 -8.402 442 2HE LYS 59 2HE LYS 59 -1.651 -6.039 -7.682 443 1HZ LYS 59 1HZ LYS 59 0.566 -5.484 -6.887 444 2HZ LYS 59 2HZ LYS 59 1.193 -6.891 -7.586 445 3HZ LYS 59 3HZ LYS 59 0.562 -5.668 -8.569 446 H VAL 60 H VAL 60 0.808 -7.612 -1.048 447 HA VAL 60 HA VAL 60 3.596 -6.870 -0.833 448 HB VAL 60 HB VAL 60 3.108 -4.753 0.355 449 1HG1 VAL 60 1HG1 VAL 60 3.583 -5.002 -2.169 450 2HG1 VAL 60 2HG1 VAL 60 1.886 -4.564 -2.368 451 3HG1 VAL 60 3HG1 VAL 60 2.996 -3.455 -1.562 452 1HG2 VAL 60 1HG2 VAL 60 0.758 -5.366 0.944 453 2HG2 VAL 60 2HG2 VAL 60 0.944 -3.742 0.284 454 3HG2 VAL 60 3HG2 VAL 60 0.312 -5.039 -0.733 455 H LYS 61 H LYS 61 4.233 -6.545 1.464 456 HA LYS 61 HA LYS 61 2.502 -7.271 3.582 457 1HB LYS 61 1HB LYS 61 2.703 -9.482 2.484 458 2HB LYS 61 2HB LYS 61 4.446 -9.410 2.697 459 1HG LYS 61 1HG LYS 61 4.150 -10.449 4.631 460 2HG LYS 61 2HG LYS 61 3.426 -8.958 5.237 461 1HD LYS 61 1HD LYS 61 1.332 -9.795 5.159 462 2HD LYS 61 2HD LYS 61 1.630 -10.676 3.659 463 1HE LYS 61 1HE LYS 61 3.196 -12.055 5.390 464 2HE LYS 61 2HE LYS 61 1.885 -11.549 6.456 465 1HZ LYS 61 1HZ LYS 61 0.619 -12.430 4.206 466 2HZ LYS 61 2HZ LYS 61 1.888 -13.532 4.397 467 3HZ LYS 61 3HZ LYS 61 0.783 -13.288 5.655 468 H VAL 62 H VAL 62 3.456 -7.007 5.587 469 HA VAL 62 HA VAL 62 5.621 -5.275 5.779 470 HB VAL 62 HB VAL 62 3.997 -5.497 7.576 471 1HG1 VAL 62 1HG1 VAL 62 4.114 -8.143 7.237 472 2HG1 VAL 62 2HG1 VAL 62 5.198 -7.992 8.619 473 3HG1 VAL 62 3HG1 VAL 62 3.542 -7.395 8.728 474 1HG2 VAL 62 1HG2 VAL 62 6.646 -5.045 7.882 475 2HG2 VAL 62 2HG2 VAL 62 5.461 -4.894 9.179 476 3HG2 VAL 62 3HG2 VAL 62 6.408 -6.374 9.017 477 H GLY 63 H GLY 63 7.323 -6.138 4.513 478 1HA GLY 63 1HA GLY 63 8.740 -8.397 5.788 479 2HA GLY 63 2HA GLY 63 9.574 -6.965 5.204 480 H ASP 64 H ASP 64 8.951 -6.480 2.783 481 HA ASP 64 HA ASP 64 9.737 -8.846 1.312 482 1HB ASP 64 1HB ASP 64 7.913 -8.854 -0.237 483 2HB ASP 64 2HB ASP 64 7.217 -8.887 1.380 484 H LYS 65 H LYS 65 9.781 -8.173 -1.174 485 HA LYS 65 HA LYS 65 11.351 -5.712 -1.248 486 1HB LYS 65 1HB LYS 65 11.323 -8.232 -2.762 487 2HB LYS 65 2HB LYS 65 11.580 -6.797 -3.745 488 1HG LYS 65 1HG LYS 65 13.711 -6.813 -3.157 489 2HG LYS 65 2HG LYS 65 13.230 -6.523 -1.483 490 1HD LYS 65 1HD LYS 65 13.564 -8.675 -0.880 491 2HD LYS 65 2HD LYS 65 12.975 -9.306 -2.418 492 1HE LYS 65 1HE LYS 65 15.245 -8.155 -3.254 493 2HE LYS 65 2HE LYS 65 15.710 -8.536 -1.596 494 1HZ LYS 65 1HZ LYS 65 14.526 -10.818 -2.434 495 2HZ LYS 65 2HZ LYS 65 15.310 -10.292 -3.838 496 3HZ LYS 65 3HZ LYS 65 16.194 -10.538 -2.417 497 H ILE 66 H ILE 66 10.305 -3.906 -1.758 498 HA ILE 66 HA ILE 66 8.268 -4.043 -3.872 499 HB ILE 66 HB ILE 66 7.800 -3.412 -1.192 500 1HG1 ILE 66 1HG1 ILE 66 5.511 -2.820 -2.084 501 2HG1 ILE 66 2HG1 ILE 66 6.184 -3.022 -3.701 502 1HG2 ILE 66 1HG2 ILE 66 7.761 -0.891 -2.829 503 2HG2 ILE 66 2HG2 ILE 66 6.832 -1.105 -1.350 504 3HG2 ILE 66 3HG2 ILE 66 8.590 -1.185 -1.302 505 1HD1 ILE 66 1HD1 ILE 66 6.971 -5.326 -2.556 506 2HD1 ILE 66 2HD1 ILE 66 5.465 -5.029 -1.685 507 3HD1 ILE 66 3HD1 ILE 66 5.461 -5.128 -3.447 508 H SER 67 H SER 67 7.841 -1.888 -4.903 509 HA SER 67 HA SER 67 10.086 -0.038 -4.849 510 1HB SER 67 1HB SER 67 10.789 -0.327 -7.033 511 2HB SER 67 2HB SER 67 10.375 -1.987 -6.607 512 HG SER 67 HG SER 67 9.379 -1.595 -8.525 513 H GLU 68 H GLU 68 9.547 2.026 -5.436 514 HA GLU 68 HA GLU 68 7.042 3.019 -5.141 515 1HB GLU 68 1HB GLU 68 8.987 4.200 -7.119 516 2HB GLU 68 2HB GLU 68 7.784 5.046 -6.156 517 1HG GLU 68 1HG GLU 68 9.074 4.274 -4.120 518 2HG GLU 68 2HG GLU 68 10.349 3.792 -5.238 519 H GLY 69 H GLY 69 5.232 2.366 -6.135 520 1HA GLY 69 1HA GLY 69 5.009 2.706 -9.001 521 2HA GLY 69 2HA GLY 69 3.706 2.321 -7.890 522 H GLY 70 H GLY 70 3.822 0.047 -6.934 523 1HA GLY 70 1HA GLY 70 4.818 -2.203 -7.369 524 2HA GLY 70 2HA GLY 70 4.699 -1.801 -9.074 525 H LEU 71 H LEU 71 2.013 -0.447 -8.048 526 HA LEU 71 HA LEU 71 -0.192 -0.981 -8.066 527 1HB LEU 71 1HB LEU 71 0.370 -1.965 -10.256 528 2HB LEU 71 2HB LEU 71 0.754 -3.483 -9.467 529 HG LEU 71 HG LEU 71 -1.505 -3.907 -8.925 530 1HD1 LEU 71 1HD1 LEU 71 -1.774 -0.990 -9.206 531 2HD1 LEU 71 2HD1 LEU 71 -3.146 -1.937 -9.785 532 3HD1 LEU 71 3HD1 LEU 71 -2.597 -2.109 -8.118 533 1HD2 LEU 71 1HD2 LEU 71 -0.780 -4.043 -11.382 534 2HD2 LEU 71 2HD2 LEU 71 -2.507 -4.090 -11.025 535 3HD2 LEU 71 3HD2 LEU 71 -1.768 -2.600 -11.612 536 H ILE 72 H ILE 72 1.015 -1.386 -5.747 537 HA ILE 72 HA ILE 72 1.094 -3.808 -4.516 538 HB ILE 72 HB ILE 72 0.190 -1.151 -3.443 539 1HG1 ILE 72 1HG1 ILE 72 2.791 -2.680 -3.328 540 2HG1 ILE 72 2HG1 ILE 72 2.464 -1.244 -4.289 541 1HG2 ILE 72 1HG2 ILE 72 0.067 -3.742 -2.169 542 2HG2 ILE 72 2HG2 ILE 72 1.187 -2.672 -1.324 543 3HG2 ILE 72 3HG2 ILE 72 -0.486 -2.176 -1.579 544 1HD1 ILE 72 1HD1 ILE 72 1.858 -0.338 -1.833 545 2HD1 ILE 72 2HD1 ILE 72 3.116 -1.514 -1.450 546 3HD1 ILE 72 3HD1 ILE 72 3.446 -0.204 -2.585 547 H VAL 73 H VAL 73 -1.695 -1.789 -3.680 548 HA VAL 73 HA VAL 73 -3.393 -4.173 -4.033 549 HB VAL 73 HB VAL 73 -4.781 -3.405 -2.186 550 1HG1 VAL 73 1HG1 VAL 73 -1.943 -4.070 -1.883 551 2HG1 VAL 73 2HG1 VAL 73 -2.683 -3.351 -0.453 552 3HG1 VAL 73 3HG1 VAL 73 -3.369 -4.814 -1.160 553 1HG2 VAL 73 1HG2 VAL 73 -2.798 -1.142 -2.003 554 2HG2 VAL 73 2HG2 VAL 73 -4.523 -1.027 -2.349 555 3HG2 VAL 73 3HG2 VAL 73 -3.976 -1.534 -0.750 556 H VAL 74 H VAL 74 -5.654 -3.772 -4.480 557 HA VAL 74 HA VAL 74 -6.198 -1.196 -5.814 558 HB VAL 74 HB VAL 74 -6.896 -3.941 -6.890 559 1HG1 VAL 74 1HG1 VAL 74 -8.319 -1.631 -7.247 560 2HG1 VAL 74 2HG1 VAL 74 -7.245 -1.636 -8.645 561 3HG1 VAL 74 3HG1 VAL 74 -8.311 -3.008 -8.348 562 1HG2 VAL 74 1HG2 VAL 74 -4.802 -1.935 -7.624 563 2HG2 VAL 74 2HG2 VAL 74 -4.650 -3.677 -7.399 564 3HG2 VAL 74 3HG2 VAL 74 -5.450 -3.039 -8.835 565 H VAL 75 H VAL 75 -8.295 -0.429 -5.541 566 HA VAL 75 HA VAL 75 -10.051 -2.106 -3.890 567 HB VAL 75 HB VAL 75 -10.890 -0.002 -2.882 568 1HG1 VAL 75 1HG1 VAL 75 -8.435 -1.350 -2.398 569 2HG1 VAL 75 2HG1 VAL 75 -8.217 0.361 -2.036 570 3HG1 VAL 75 3HG1 VAL 75 -9.501 -0.552 -1.242 571 1HG2 VAL 75 1HG2 VAL 75 -9.601 1.214 -4.968 572 2HG2 VAL 75 2HG2 VAL 75 -10.229 2.029 -3.536 573 3HG2 VAL 75 3HG2 VAL 75 -8.534 1.547 -3.604 574 H GLU 76 H GLU 76 -12.327 -0.911 -3.813 575 HA GLU 76 HA GLU 76 -13.253 -0.893 -6.584 576 1HB GLU 76 1HB GLU 76 -14.280 -1.921 -4.134 577 2HB GLU 76 2HB GLU 76 -15.395 -0.682 -4.696 578 1HG GLU 76 1HG GLU 76 -14.862 -2.120 -6.979 579 2HG GLU 76 2HG GLU 76 -14.900 -3.354 -5.720 580 H ALA 77 H ALA 77 -12.890 1.155 -3.816 581 HA ALA 77 HA ALA 77 -13.143 3.377 -3.509 582 1HB ALA 77 1HB ALA 77 -13.427 4.773 -5.637 583 2HB ALA 77 2HB ALA 77 -13.181 3.244 -6.482 584 3HB ALA 77 3HB ALA 77 -11.932 3.865 -5.401 585 H GLU 78 H GLU 78 -14.880 3.792 -2.353 586 HA GLU 78 HA GLU 78 -17.053 4.092 -1.747 587 1HB GLU 78 1HB GLU 78 -16.356 5.909 -3.705 588 2HB GLU 78 2HB GLU 78 -17.894 5.277 -4.278 589 1HG GLU 78 1HG GLU 78 -18.956 5.882 -2.196 590 2HG GLU 78 2HG GLU 78 -17.412 6.417 -1.536 591 H GLY 79 H GLY 79 -16.554 1.555 -2.835 592 1HA GLY 79 1HA GLY 79 -19.144 0.590 -3.222 593 2HA GLY 79 2HA GLY 79 -17.670 -0.300 -3.576 594 H THR 80 H THR 80 -20.319 1.467 -4.869 595 HA THR 80 HA THR 80 -19.369 0.844 -7.582 596 HB THR 80 HB THR 80 -21.435 -0.295 -6.951 597 HG1 THR 80 HG1 THR 80 -22.093 1.793 -8.740 598 1HG2 THR 80 1HG2 THR 80 -22.102 1.924 -5.529 599 2HG2 THR 80 2HG2 THR 80 -23.121 2.087 -6.960 600 3HG2 THR 80 3HG2 THR 80 -23.212 0.627 -5.974 601 H ALA 81 H ALA 81 -20.402 3.386 -5.474 602 HA ALA 81 HA ALA 81 -20.894 5.319 -7.535 603 1HB ALA 81 1HB ALA 81 -21.979 6.195 -5.799 604 2HB ALA 81 2HB ALA 81 -20.409 6.728 -5.200 605 3HB ALA 81 3HB ALA 81 -21.089 5.198 -4.647 No H/Q in entry = 605 Start of MODEL 12 1 H1 ALA 1 H1 ALA 1 -12.376 4.613 -11.527 2 H2 ALA 1 H2 ALA 1 -13.864 5.192 -12.157 3 H3 ALA 1 H3 ALA 1 -13.164 5.938 -10.779 4 HA ALA 1 HA ALA 1 -14.816 4.658 -9.918 5 1HB ALA 1 1HB ALA 1 -13.973 2.646 -11.975 6 2HB ALA 1 2HB ALA 1 -14.970 2.195 -10.592 7 3HB ALA 1 3HB ALA 1 -15.551 3.398 -11.744 8 H LEU 2 H LEU 2 -12.491 2.119 -10.655 9 HA LEU 2 HA LEU 2 -11.916 1.806 -7.840 10 1HB LEU 2 1HB LEU 2 -10.884 0.318 -10.257 11 2HB LEU 2 2HB LEU 2 -10.557 -0.125 -8.592 12 HG LEU 2 HG LEU 2 -13.326 0.006 -8.699 13 1HD1 LEU 2 1HD1 LEU 2 -12.282 -0.493 -11.350 14 2HD1 LEU 2 2HD1 LEU 2 -13.250 -1.845 -10.762 15 3HD1 LEU 2 3HD1 LEU 2 -13.944 -0.225 -10.822 16 1HD2 LEU 2 1HD2 LEU 2 -11.923 -1.631 -7.506 17 2HD2 LEU 2 2HD2 LEU 2 -13.215 -2.398 -8.430 18 3HD2 LEU 2 3HD2 LEU 2 -11.562 -2.417 -9.043 19 H VAL 3 H VAL 3 -9.549 1.354 -7.252 20 HA VAL 3 HA VAL 3 -7.745 3.248 -8.587 21 HB VAL 3 HB VAL 3 -8.456 3.178 -5.664 22 1HG1 VAL 3 1HG1 VAL 3 -6.024 2.992 -5.736 23 2HG1 VAL 3 2HG1 VAL 3 -5.943 4.387 -6.816 24 3HG1 VAL 3 3HG1 VAL 3 -6.521 4.585 -5.161 25 1HG2 VAL 3 1HG2 VAL 3 -8.275 5.319 -7.764 26 2HG2 VAL 3 2HG2 VAL 3 -9.703 4.763 -6.889 27 3HG2 VAL 3 3HG2 VAL 3 -8.448 5.672 -6.046 28 H GLU 4 H GLU 4 -5.534 2.784 -8.380 29 HA GLU 4 HA GLU 4 -4.917 0.083 -7.379 30 1HB GLU 4 1HB GLU 4 -3.501 1.467 -9.657 31 2HB GLU 4 2HB GLU 4 -3.355 -0.214 -9.166 32 1HG GLU 4 1HG GLU 4 -5.008 -0.802 -10.510 33 2HG GLU 4 2HG GLU 4 -6.089 0.375 -9.766 34 H LEU 5 H LEU 5 -3.942 0.446 -5.464 35 HA LEU 5 HA LEU 5 -2.358 2.741 -4.915 36 1HB LEU 5 1HB LEU 5 -3.566 0.800 -3.394 37 2HB LEU 5 2HB LEU 5 -1.864 0.410 -3.216 38 HG LEU 5 HG LEU 5 -1.936 3.151 -2.828 39 1HD1 LEU 5 1HD1 LEU 5 -4.557 2.277 -2.485 40 2HD1 LEU 5 2HD1 LEU 5 -3.905 2.416 -0.853 41 3HD1 LEU 5 3HD1 LEU 5 -3.864 3.805 -1.940 42 1HD2 LEU 5 1HD2 LEU 5 -0.593 1.483 -1.622 43 2HD2 LEU 5 2HD2 LEU 5 -1.408 2.600 -0.528 44 3HD2 LEU 5 3HD2 LEU 5 -2.037 0.968 -0.750 45 H LYS 6 H LYS 6 -0.098 2.691 -4.224 46 HA LYS 6 HA LYS 6 1.566 0.571 -5.281 47 1HB LYS 6 1HB LYS 6 1.561 3.357 -6.432 48 2HB LYS 6 2HB LYS 6 2.940 2.276 -6.584 49 1HG LYS 6 1HG LYS 6 1.919 1.756 -8.527 50 2HG LYS 6 2HG LYS 6 1.026 0.646 -7.487 51 1HD LYS 6 1HD LYS 6 -0.816 1.631 -8.289 52 2HD LYS 6 2HD LYS 6 -0.392 2.990 -7.245 53 1HE LYS 6 1HE LYS 6 -0.598 4.077 -9.245 54 2HE LYS 6 2HE LYS 6 1.114 3.660 -9.299 55 1HZ LYS 6 1HZ LYS 6 -0.023 1.489 -10.394 56 2HZ LYS 6 2HZ LYS 6 -1.067 2.706 -10.933 57 3HZ LYS 6 3HZ LYS 6 0.585 2.797 -11.279 58 H VAL 7 H VAL 7 3.823 0.843 -4.721 59 HA VAL 7 HA VAL 7 4.272 1.450 -2.079 60 HB VAL 7 HB VAL 7 6.271 1.501 -4.343 61 1HG1 VAL 7 1HG1 VAL 7 6.875 2.542 -2.012 62 2HG1 VAL 7 2HG1 VAL 7 7.002 0.851 -1.530 63 3HG1 VAL 7 3HG1 VAL 7 8.006 1.472 -2.837 64 1HG2 VAL 7 1HG2 VAL 7 4.909 -0.589 -4.019 65 2HG2 VAL 7 2HG2 VAL 7 6.655 -0.790 -3.904 66 3HG2 VAL 7 3HG2 VAL 7 5.676 -0.746 -2.439 67 HA PRO 8 HA PRO 8 4.381 5.881 -1.953 68 1HB PRO 8 1HB PRO 8 5.589 6.233 0.431 69 2HB PRO 8 2HB PRO 8 3.924 5.652 0.290 70 1HG PRO 8 1HG PRO 8 6.439 4.088 0.773 71 2HG PRO 8 2HG PRO 8 4.849 3.915 1.541 72 1HD PRO 8 1HD PRO 8 5.706 2.304 -0.475 73 2HD PRO 8 2HD PRO 8 3.996 2.690 -0.213 74 H ASP 9 H ASP 9 6.153 7.527 -0.909 75 HA ASP 9 HA ASP 9 8.449 7.269 -2.673 76 1HB ASP 9 1HB ASP 9 6.962 9.441 -1.398 77 2HB ASP 9 2HB ASP 9 8.707 9.669 -1.332 78 H ILE 10 H ILE 10 9.631 5.659 -1.568 79 HA ILE 10 HA ILE 10 10.633 6.370 1.097 80 HB ILE 10 HB ILE 10 11.698 3.971 0.823 81 1HG1 ILE 10 1HG1 ILE 10 10.227 2.462 -0.449 82 2HG1 ILE 10 2HG1 ILE 10 9.299 3.843 -1.018 83 1HG2 ILE 10 1HG2 ILE 10 9.747 4.945 2.317 84 2HG2 ILE 10 2HG2 ILE 10 8.768 3.885 1.301 85 3HG2 ILE 10 3HG2 ILE 10 10.094 3.217 2.257 86 1HD1 ILE 10 1HD1 ILE 10 12.235 3.667 -1.538 87 2HD1 ILE 10 2HD1 ILE 10 11.079 2.809 -2.557 88 3HD1 ILE 10 3HD1 ILE 10 10.996 4.564 -2.415 89 H GLY 11 H GLY 11 11.687 8.015 -0.712 90 1HA GLY 11 1HA GLY 11 14.424 6.967 -1.079 91 2HA GLY 11 2HA GLY 11 14.058 8.637 -0.672 92 H GLY 12 H GLY 12 13.783 6.194 -3.209 93 1HA GLY 12 1HA GLY 12 14.252 8.254 -5.204 94 2HA GLY 12 2HA GLY 12 12.694 7.448 -5.310 95 H HIS 13 H HIS 13 13.474 4.853 -4.587 96 HA HIS 13 HA HIS 13 14.780 4.050 -7.059 97 1HB HIS 13 1HB HIS 13 16.145 2.361 -5.565 98 2HB HIS 13 2HB HIS 13 16.752 3.985 -5.864 99 HD1 HIS 13 HD1 HIS 13 15.569 1.740 -3.174 100 HD2 HIS 13 HD2 HIS 13 16.554 5.750 -3.631 101 HE1 HIS 13 HE1 HIS 13 15.808 2.643 -0.840 102 HE2 HIS 13 HE2 HIS 13 16.321 5.092 -1.142 103 H GLU 14 H GLU 14 14.607 1.688 -7.426 104 HA GLU 14 HA GLU 14 12.109 0.691 -6.246 105 1HB GLU 14 1HB GLU 14 13.491 -0.106 -8.818 106 2HB GLU 14 2HB GLU 14 11.969 -0.766 -8.236 107 1HG GLU 14 1HG GLU 14 10.784 1.050 -8.851 108 2HG GLU 14 2HG GLU 14 12.098 2.168 -8.486 109 H ASN 15 H ASN 15 13.005 -0.159 -4.381 110 HA ASN 15 HA ASN 15 13.518 -2.800 -4.188 111 1HB ASN 15 1HB ASN 15 16.066 -2.802 -3.783 112 2HB ASN 15 2HB ASN 15 15.510 -2.794 -5.455 113 1HD2 ASN 15 2HD2 ASN 15 16.279 -1.287 -6.759 114 2HD2 ASN 15 1HD2 ASN 15 17.133 0.132 -6.267 115 H VAL 16 H VAL 16 12.188 -1.920 -2.437 116 HA VAL 16 HA VAL 16 13.862 -1.246 -0.118 117 HB VAL 16 HB VAL 16 12.240 0.427 0.632 118 1HG1 VAL 16 1HG1 VAL 16 14.210 0.867 -1.046 119 2HG1 VAL 16 2HG1 VAL 16 12.896 1.250 -2.161 120 3HG1 VAL 16 3HG1 VAL 16 13.065 2.149 -0.651 121 1HG2 VAL 16 1HG2 VAL 16 10.681 -0.712 -1.514 122 2HG2 VAL 16 2HG2 VAL 16 10.168 0.322 -0.180 123 3HG2 VAL 16 3HG2 VAL 16 10.788 1.041 -1.667 124 H ASP 17 H ASP 17 13.333 -2.316 1.690 125 HA ASP 17 HA ASP 17 11.317 -4.347 1.568 126 1HB ASP 17 1HB ASP 17 13.671 -4.101 2.922 127 2HB ASP 17 2HB ASP 17 12.507 -3.744 4.195 128 H ILE 18 H ILE 18 9.341 -4.412 2.523 129 HA ILE 18 HA ILE 18 8.153 -1.947 3.312 130 HB ILE 18 HB ILE 18 7.132 -4.784 3.304 131 1HG1 ILE 18 1HG1 ILE 18 5.888 -2.627 1.712 132 2HG1 ILE 18 2HG1 ILE 18 7.519 -3.090 1.238 133 1HG2 ILE 18 1HG2 ILE 18 5.662 -2.275 4.100 134 2HG2 ILE 18 2HG2 ILE 18 4.885 -3.816 3.738 135 3HG2 ILE 18 3HG2 ILE 18 5.987 -3.684 5.108 136 1HD1 ILE 18 1HD1 ILE 18 5.880 -5.412 1.674 137 2HD1 ILE 18 2HD1 ILE 18 5.138 -4.319 0.506 138 3HD1 ILE 18 3HD1 ILE 18 6.776 -4.917 0.238 139 H ILE 19 H ILE 19 7.003 -1.649 5.371 140 HA ILE 19 HA ILE 19 8.407 -3.021 7.570 141 HB ILE 19 HB ILE 19 9.296 -1.158 8.388 142 1HG1 ILE 19 1HG1 ILE 19 6.660 0.293 8.050 143 2HG1 ILE 19 2HG1 ILE 19 7.153 -0.600 9.482 144 1HG2 ILE 19 1HG2 ILE 19 8.208 0.027 5.850 145 2HG2 ILE 19 2HG2 ILE 19 9.235 0.938 6.956 146 3HG2 ILE 19 3HG2 ILE 19 9.846 -0.533 6.198 147 1HD1 ILE 19 1HD1 ILE 19 9.160 0.999 9.529 148 2HD1 ILE 19 2HD1 ILE 19 8.202 1.990 8.429 149 3HD1 ILE 19 3HD1 ILE 19 7.582 1.603 10.033 150 H ALA 20 H ALA 20 5.416 -1.881 6.317 151 HA ALA 20 HA ALA 20 4.059 -2.999 8.657 152 1HB ALA 20 1HB ALA 20 4.246 -0.441 8.718 153 2HB ALA 20 2HB ALA 20 3.064 -0.463 7.409 154 3HB ALA 20 3HB ALA 20 2.656 -1.163 8.977 155 H VAL 21 H VAL 21 1.827 -3.585 8.253 156 HA VAL 21 HA VAL 21 0.999 -3.709 5.465 157 HB VAL 21 HB VAL 21 1.313 -6.186 7.171 158 1HG1 VAL 21 1HG1 VAL 21 -0.443 -5.613 4.929 159 2HG1 VAL 21 2HG1 VAL 21 0.629 -6.977 4.610 160 3HG1 VAL 21 3HG1 VAL 21 -0.424 -6.995 6.025 161 1HG2 VAL 21 1HG2 VAL 21 2.718 -5.174 4.719 162 2HG2 VAL 21 2HG2 VAL 21 3.412 -5.707 6.251 163 3HG2 VAL 21 3HG2 VAL 21 2.703 -6.884 5.146 164 H GLU 22 H GLU 22 -1.109 -3.290 5.292 165 HA GLU 22 HA GLU 22 -2.961 -4.127 7.368 166 1HB GLU 22 1HB GLU 22 -2.872 -1.226 6.548 167 2HB GLU 22 2HB GLU 22 -3.858 -1.954 7.806 168 1HG GLU 22 1HG GLU 22 -0.855 -1.839 7.891 169 2HG GLU 22 2HG GLU 22 -1.910 -0.631 8.620 170 H VAL 23 H VAL 23 -3.536 -5.473 5.505 171 HA VAL 23 HA VAL 23 -5.714 -4.299 4.045 172 HB VAL 23 HB VAL 23 -4.789 -5.122 1.806 173 1HG1 VAL 23 1HG1 VAL 23 -5.021 -2.709 2.695 174 2HG1 VAL 23 2HG1 VAL 23 -3.266 -2.768 2.861 175 3HG1 VAL 23 3HG1 VAL 23 -4.010 -2.997 1.278 176 1HG2 VAL 23 1HG2 VAL 23 -2.216 -4.932 3.370 177 2HG2 VAL 23 2HG2 VAL 23 -2.891 -6.376 2.615 178 3HG2 VAL 23 3HG2 VAL 23 -2.322 -5.041 1.613 179 H ASN 24 H ASN 24 -7.187 -5.800 3.371 180 HA ASN 24 HA ASN 24 -6.467 -8.639 3.557 181 1HB ASN 24 1HB ASN 24 -8.400 -7.155 5.218 182 2HB ASN 24 2HB ASN 24 -8.972 -8.692 4.578 183 1HD2 ASN 24 2HD2 ASN 24 -7.182 -10.460 4.764 184 2HD2 ASN 24 1HD2 ASN 24 -6.465 -10.591 6.331 185 H VAL 25 H VAL 25 -7.232 -6.550 1.445 186 HA VAL 25 HA VAL 25 -8.280 -6.560 -0.568 187 HB VAL 25 HB VAL 25 -8.895 -9.417 0.178 188 1HG1 VAL 25 1HG1 VAL 25 -9.508 -7.848 -2.293 189 2HG1 VAL 25 2HG1 VAL 25 -9.164 -9.575 -2.403 190 3HG1 VAL 25 3HG1 VAL 25 -10.515 -9.005 -1.423 191 1HG2 VAL 25 1HG2 VAL 25 -6.717 -8.089 -1.395 192 2HG2 VAL 25 2HG2 VAL 25 -6.584 -9.238 -0.063 193 3HG2 VAL 25 3HG2 VAL 25 -7.129 -9.785 -1.648 194 H GLY 26 H GLY 26 -10.543 -8.800 0.972 195 1HA GLY 26 1HA GLY 26 -12.832 -8.646 1.184 196 2HA GLY 26 2HA GLY 26 -12.767 -7.149 0.263 197 H ASP 27 H ASP 27 -11.463 -5.383 1.634 198 HA ASP 27 HA ASP 27 -12.822 -5.304 4.227 199 1HB ASP 27 1HB ASP 27 -10.185 -5.644 4.117 200 2HB ASP 27 2HB ASP 27 -10.215 -3.893 3.931 201 H THR 28 H THR 28 -12.974 -3.015 5.089 202 HA THR 28 HA THR 28 -13.902 -1.295 2.931 203 HB THR 28 HB THR 28 -14.135 -0.934 5.925 204 HG1 THR 28 HG1 THR 28 -15.738 -2.238 4.029 205 1HG2 THR 28 1HG2 THR 28 -14.686 0.879 3.852 206 2HG2 THR 28 2HG2 THR 28 -16.238 0.275 4.433 207 3HG2 THR 28 3HG2 THR 28 -15.101 1.014 5.561 208 H ILE 29 H ILE 29 -12.784 0.379 2.178 209 HA ILE 29 HA ILE 29 -10.579 1.439 3.822 210 HB ILE 29 HB ILE 29 -9.411 1.995 1.714 211 1HG1 ILE 29 1HG1 ILE 29 -10.803 0.124 0.013 212 2HG1 ILE 29 2HG1 ILE 29 -11.908 1.380 0.563 213 1HG2 ILE 29 1HG2 ILE 29 -9.606 -0.455 3.004 214 2HG2 ILE 29 2HG2 ILE 29 -9.691 -0.850 1.289 215 3HG2 ILE 29 3HG2 ILE 29 -8.321 0.067 1.915 216 1HD1 ILE 29 1HD1 ILE 29 -9.272 1.847 -0.807 217 2HD1 ILE 29 2HD1 ILE 29 -10.863 1.952 -1.561 218 3HD1 ILE 29 3HD1 ILE 29 -10.410 3.090 -0.291 219 H ALA 30 H ALA 30 -10.286 3.639 3.910 220 HA ALA 30 HA ALA 30 -12.295 5.293 2.531 221 1HB ALA 30 1HB ALA 30 -13.126 6.012 4.459 222 2HB ALA 30 2HB ALA 30 -11.523 6.495 5.010 223 3HB ALA 30 3HB ALA 30 -12.098 4.853 5.301 224 H VAL 31 H VAL 31 -11.516 7.770 3.221 225 HA VAL 31 HA VAL 31 -8.982 8.020 1.813 226 HB VAL 31 HB VAL 31 -10.741 10.279 2.757 227 1HG1 VAL 31 1HG1 VAL 31 -8.494 9.985 0.807 228 2HG1 VAL 31 2HG1 VAL 31 -9.701 11.252 0.583 229 3HG1 VAL 31 3HG1 VAL 31 -8.740 11.201 2.061 230 1HG2 VAL 31 1HG2 VAL 31 -10.921 8.747 0.163 231 2HG2 VAL 31 2HG2 VAL 31 -12.121 8.755 1.455 232 3HG2 VAL 31 3HG2 VAL 31 -11.798 10.229 0.541 233 H ASP 32 H ASP 32 -8.608 6.956 4.331 234 HA ASP 32 HA ASP 32 -6.573 8.446 5.406 235 1HB ASP 32 1HB ASP 32 -7.773 9.200 7.583 236 2HB ASP 32 2HB ASP 32 -7.915 10.206 6.145 237 H ASP 33 H ASP 33 -6.151 6.076 5.236 238 HA ASP 33 HA ASP 33 -6.412 4.888 7.866 239 1HB ASP 33 1HB ASP 33 -7.188 2.689 6.826 240 2HB ASP 33 2HB ASP 33 -8.398 3.962 6.965 241 H THR 34 H THR 34 -4.227 4.842 8.142 242 HA THR 34 HA THR 34 -2.241 4.421 6.335 243 HB THR 34 HB THR 34 -1.198 3.096 8.421 244 HG1 THR 34 HG1 THR 34 -2.123 3.762 10.286 245 1HG2 THR 34 1HG2 THR 34 -0.361 5.193 7.444 246 2HG2 THR 34 2HG2 THR 34 -1.569 6.073 8.383 247 3HG2 THR 34 3HG2 THR 34 -0.301 5.166 9.208 248 H LEU 35 H LEU 35 -1.891 2.923 4.900 249 HA LEU 35 HA LEU 35 -2.935 0.234 5.287 250 1HB LEU 35 1HB LEU 35 -1.698 1.634 2.921 251 2HB LEU 35 2HB LEU 35 -2.114 -0.070 2.909 252 HG LEU 35 HG LEU 35 -3.994 2.273 3.137 253 1HD1 LEU 35 1HD1 LEU 35 -2.986 0.897 0.949 254 2HD1 LEU 35 2HD1 LEU 35 -4.597 0.222 1.197 255 3HD1 LEU 35 3HD1 LEU 35 -4.393 1.960 0.976 256 1HD2 LEU 35 1HD2 LEU 35 -4.350 -0.572 3.892 257 2HD2 LEU 35 2HD2 LEU 35 -5.100 0.880 4.553 258 3HD2 LEU 35 3HD2 LEU 35 -5.668 0.214 3.023 259 H ILE 36 H ILE 36 0.128 1.922 4.786 260 HA ILE 36 HA ILE 36 1.523 -0.195 6.169 261 HB ILE 36 HB ILE 36 3.270 -0.431 4.370 262 1HG1 ILE 36 1HG1 ILE 36 2.890 0.162 2.159 263 2HG1 ILE 36 2HG1 ILE 36 1.156 0.338 2.387 264 1HG2 ILE 36 1HG2 ILE 36 1.146 -1.906 4.943 265 2HG2 ILE 36 2HG2 ILE 36 0.768 -1.535 3.263 266 3HG2 ILE 36 3HG2 ILE 36 2.285 -2.336 3.671 267 1HD1 ILE 36 1HD1 ILE 36 3.213 2.232 3.494 268 2HD1 ILE 36 2HD1 ILE 36 2.361 2.461 1.967 269 3HD1 ILE 36 3HD1 ILE 36 1.463 2.443 3.483 270 H THR 37 H THR 37 4.056 0.365 5.928 271 HA THR 37 HA THR 37 4.462 3.250 6.005 272 HB THR 37 HB THR 37 5.121 1.429 8.327 273 HG1 THR 37 HG1 THR 37 3.224 3.473 7.929 274 1HG2 THR 37 1HG2 THR 37 6.578 3.616 7.595 275 2HG2 THR 37 2HG2 THR 37 5.408 4.298 8.723 276 3HG2 THR 37 3HG2 THR 37 6.449 2.967 9.229 277 H LEU 38 H LEU 38 5.371 1.981 3.976 278 HA LEU 38 HA LEU 38 7.562 0.432 3.845 279 1HB LEU 38 1HB LEU 38 6.769 2.824 2.245 280 2HB LEU 38 2HB LEU 38 8.311 2.057 1.922 281 HG LEU 38 HG LEU 38 6.859 1.101 0.372 282 1HD1 LEU 38 1HD1 LEU 38 8.168 -0.504 1.909 283 2HD1 LEU 38 2HD1 LEU 38 6.575 -0.935 2.529 284 3HD1 LEU 38 3HD1 LEU 38 6.945 -1.155 0.819 285 1HD2 LEU 38 1HD2 LEU 38 4.828 1.988 1.742 286 2HD2 LEU 38 2HD2 LEU 38 4.630 0.605 0.665 287 3HD2 LEU 38 3HD2 LEU 38 4.807 0.352 2.402 288 H GLU 39 H GLU 39 9.853 0.892 3.436 289 HA GLU 39 HA GLU 39 11.107 3.267 4.257 290 1HB GLU 39 1HB GLU 39 10.289 2.602 6.475 291 2HB GLU 39 2HB GLU 39 11.123 1.062 6.321 292 1HG GLU 39 1HG GLU 39 13.265 2.317 6.147 293 2HG GLU 39 2HG GLU 39 12.369 3.794 6.500 294 H THR 40 H THR 40 13.426 3.111 4.228 295 HA THR 40 HA THR 40 14.414 0.619 3.009 296 HB THR 40 HB THR 40 14.636 1.887 1.145 297 HG1 THR 40 HG1 THR 40 16.646 3.046 1.115 298 1HG2 THR 40 1HG2 THR 40 14.644 4.324 2.892 299 2HG2 THR 40 2HG2 THR 40 14.959 4.378 1.157 300 3HG2 THR 40 3HG2 THR 40 13.404 3.795 1.755 301 H ASP 41 H ASP 41 16.170 3.560 3.816 302 HA ASP 41 HA ASP 41 17.404 2.265 6.119 303 1HB ASP 41 1HB ASP 41 19.680 3.084 5.180 304 2HB ASP 41 2HB ASP 41 18.999 1.583 4.557 305 H LYS 42 H LYS 42 17.189 5.155 4.080 306 HA LYS 42 HA LYS 42 17.460 6.781 6.521 307 1HB LYS 42 1HB LYS 42 19.456 6.932 5.032 308 2HB LYS 42 2HB LYS 42 18.415 7.561 3.763 309 1HG LYS 42 1HG LYS 42 18.877 9.584 4.543 310 2HG LYS 42 2HG LYS 42 17.874 9.185 5.938 311 1HD LYS 42 1HD LYS 42 19.731 8.561 7.231 312 2HD LYS 42 2HD LYS 42 20.782 8.442 5.818 313 1HE LYS 42 1HE LYS 42 19.742 11.082 5.924 314 2HE LYS 42 2HE LYS 42 20.346 10.671 7.529 315 1HZ LYS 42 1HZ LYS 42 22.070 9.943 5.311 316 2HZ LYS 42 2HZ LYS 42 21.882 11.604 5.570 317 3HZ LYS 42 3HZ LYS 42 22.462 10.615 6.814 318 H ALA 43 H ALA 43 14.996 5.874 5.635 319 HA ALA 43 HA ALA 43 13.476 8.193 5.557 320 1HB ALA 43 1HB ALA 43 14.614 7.698 3.050 321 2HB ALA 43 2HB ALA 43 13.340 8.852 3.442 322 3HB ALA 43 3HB ALA 43 12.921 7.224 2.910 323 H THR 44 H THR 44 11.393 7.734 6.005 324 HA THR 44 HA THR 44 10.440 4.992 5.519 325 HB THR 44 HB THR 44 9.624 4.747 7.689 326 HG1 THR 44 HG1 THR 44 9.769 7.557 7.819 327 1HG2 THR 44 1HG2 THR 44 12.303 5.494 7.473 328 2HG2 THR 44 2HG2 THR 44 11.681 6.342 8.888 329 3HG2 THR 44 3HG2 THR 44 11.538 4.587 8.778 330 H MET 45 H MET 45 8.648 4.999 4.333 331 HA MET 45 HA MET 45 6.973 7.419 4.344 332 1HB MET 45 1HB MET 45 7.995 5.757 2.235 333 2HB MET 45 2HB MET 45 6.239 5.764 2.184 334 1HG MET 45 1HG MET 45 8.053 8.164 2.119 335 2HG MET 45 2HG MET 45 7.111 7.511 0.780 336 1HE MET 45 1HE MET 45 7.616 10.099 2.778 337 2HE MET 45 2HE MET 45 6.095 10.987 2.883 338 3HE MET 45 3HE MET 45 6.581 9.911 4.194 339 H ASP 46 H ASP 46 4.676 7.183 4.183 340 HA ASP 46 HA ASP 46 3.574 4.587 4.951 341 1HB ASP 46 1HB ASP 46 2.171 5.719 6.706 342 2HB ASP 46 2HB ASP 46 3.887 5.635 7.090 343 H VAL 47 H VAL 47 1.443 4.255 4.302 344 HA VAL 47 HA VAL 47 0.333 6.400 2.610 345 HB VAL 47 HB VAL 47 0.068 3.414 2.245 346 1HG1 VAL 47 1HG1 VAL 47 -1.686 5.477 1.446 347 2HG1 VAL 47 2HG1 VAL 47 -0.828 4.939 -0.001 348 3HG1 VAL 47 3HG1 VAL 47 -1.722 3.777 0.980 349 1HG2 VAL 47 1HG2 VAL 47 2.260 4.391 1.610 350 2HG2 VAL 47 2HG2 VAL 47 1.373 3.712 0.245 351 3HG2 VAL 47 3HG2 VAL 47 1.418 5.459 0.486 352 HA PRO 48 HA PRO 48 -3.106 5.894 5.468 353 1HB PRO 48 1HB PRO 48 -4.196 8.295 5.113 354 2HB PRO 48 2HB PRO 48 -2.649 8.120 5.951 355 1HG PRO 48 1HG PRO 48 -3.206 9.053 3.180 356 2HG PRO 48 2HG PRO 48 -1.948 9.575 4.311 357 1HD PRO 48 1HD PRO 48 -1.652 7.729 2.198 358 2HD PRO 48 2HD PRO 48 -0.487 8.045 3.499 359 H ALA 49 H ALA 49 -3.152 4.952 2.604 360 HA ALA 49 HA ALA 49 -4.636 4.338 0.990 361 1HB ALA 49 1HB ALA 49 -7.087 4.387 2.401 362 2HB ALA 49 2HB ALA 49 -5.828 3.896 3.533 363 3HB ALA 49 3HB ALA 49 -6.060 3.001 2.033 364 H GLU 50 H GLU 50 -4.820 5.885 -0.519 365 HA GLU 50 HA GLU 50 -6.516 8.206 0.002 366 1HB GLU 50 1HB GLU 50 -4.452 7.565 -2.085 367 2HB GLU 50 2HB GLU 50 -5.594 8.881 -2.324 368 1HG GLU 50 1HG GLU 50 -4.094 10.152 -1.289 369 2HG GLU 50 2HG GLU 50 -4.645 9.375 0.194 370 H VAL 51 H VAL 51 -8.307 6.549 -0.005 371 HA VAL 51 HA VAL 51 -9.645 6.682 -2.560 372 HB VAL 51 HB VAL 51 -10.120 4.047 -2.124 373 1HG1 VAL 51 1HG1 VAL 51 -8.531 5.643 -3.968 374 2HG1 VAL 51 2HG1 VAL 51 -7.990 3.968 -3.860 375 3HG1 VAL 51 3HG1 VAL 51 -9.662 4.329 -4.292 376 1HG2 VAL 51 1HG2 VAL 51 -7.268 4.566 -1.303 377 2HG2 VAL 51 2HG2 VAL 51 -8.514 3.691 -0.413 378 3HG2 VAL 51 3HG2 VAL 51 -7.832 2.999 -1.885 379 H ALA 52 H ALA 52 -11.736 5.065 -2.223 380 HA ALA 52 HA ALA 52 -12.796 5.209 0.455 381 1HB ALA 52 1HB ALA 52 -13.796 7.041 -1.698 382 2HB ALA 52 2HB ALA 52 -14.749 6.613 -0.279 383 3HB ALA 52 3HB ALA 52 -13.216 7.462 -0.084 384 H GLY 53 H GLY 53 -12.596 2.920 -0.583 385 1HA GLY 53 1HA GLY 53 -14.133 1.848 -2.518 386 2HA GLY 53 2HA GLY 53 -15.304 2.143 -1.245 387 H VAL 54 H VAL 54 -13.408 -0.159 -2.564 388 HA VAL 54 HA VAL 54 -12.746 -1.531 -0.070 389 HB VAL 54 HB VAL 54 -14.579 -2.725 -2.157 390 1HG1 VAL 54 1HG1 VAL 54 -12.879 -3.925 -0.155 391 2HG1 VAL 54 2HG1 VAL 54 -14.575 -4.310 0.140 392 3HG1 VAL 54 3HG1 VAL 54 -13.842 -4.692 -1.418 393 1HG2 VAL 54 1HG2 VAL 54 -15.113 -1.867 0.688 394 2HG2 VAL 54 2HG2 VAL 54 -15.759 -1.126 -0.777 395 3HG2 VAL 54 3HG2 VAL 54 -16.242 -2.762 -0.330 396 H VAL 55 H VAL 55 -11.051 -2.964 -0.266 397 HA VAL 55 HA VAL 55 -9.528 -2.825 -2.699 398 HB VAL 55 HB VAL 55 -8.971 -4.422 -0.199 399 1HG1 VAL 55 1HG1 VAL 55 -7.216 -3.801 -2.580 400 2HG1 VAL 55 2HG1 VAL 55 -6.656 -4.534 -1.077 401 3HG1 VAL 55 3HG1 VAL 55 -7.811 -5.392 -2.099 402 1HG2 VAL 55 1HG2 VAL 55 -9.025 -1.763 -0.299 403 2HG2 VAL 55 2HG2 VAL 55 -7.830 -2.648 0.650 404 3HG2 VAL 55 3HG2 VAL 55 -7.403 -2.019 -0.942 405 H LYS 56 H LYS 56 -8.768 -4.605 -3.892 406 HA LYS 56 HA LYS 56 -10.476 -7.002 -3.791 407 1HB LYS 56 1HB LYS 56 -9.468 -6.509 -6.453 408 2HB LYS 56 2HB LYS 56 -11.129 -6.754 -5.929 409 1HG LYS 56 1HG LYS 56 -9.802 -4.093 -5.600 410 2HG LYS 56 2HG LYS 56 -10.504 -4.572 -7.145 411 1HD LYS 56 1HD LYS 56 -12.073 -4.743 -4.593 412 2HD LYS 56 2HD LYS 56 -11.972 -3.239 -5.510 413 1HE LYS 56 1HE LYS 56 -13.412 -3.969 -7.051 414 2HE LYS 56 2HE LYS 56 -12.594 -5.525 -7.190 415 1HZ LYS 56 1HZ LYS 56 -13.937 -5.429 -4.730 416 2HZ LYS 56 2HZ LYS 56 -15.025 -4.965 -5.939 417 3HZ LYS 56 3HZ LYS 56 -14.226 -6.453 -6.044 418 H GLU 57 H GLU 57 -7.469 -5.553 -4.932 419 HA GLU 57 HA GLU 57 -6.245 -8.189 -4.816 420 1HB GLU 57 1HB GLU 57 -5.859 -5.848 -6.556 421 2HB GLU 57 2HB GLU 57 -4.380 -6.664 -6.066 422 1HG GLU 57 1HG GLU 57 -5.038 -8.684 -7.072 423 2HG GLU 57 2HG GLU 57 -6.706 -8.143 -7.247 424 H VAL 58 H VAL 58 -3.917 -8.211 -4.157 425 HA VAL 58 HA VAL 58 -2.959 -6.112 -2.442 426 HB VAL 58 HB VAL 58 -4.610 -7.227 -0.964 427 1HG1 VAL 58 1HG1 VAL 58 -3.685 -9.549 -2.143 428 2HG1 VAL 58 2HG1 VAL 58 -3.036 -9.620 -0.504 429 3HG1 VAL 58 3HG1 VAL 58 -4.773 -9.439 -0.757 430 1HG2 VAL 58 1HG2 VAL 58 -2.468 -6.174 -0.143 431 2HG2 VAL 58 2HG2 VAL 58 -3.204 -7.356 0.939 432 3HG2 VAL 58 3HG2 VAL 58 -1.805 -7.806 -0.038 433 H LYS 59 H LYS 59 -0.830 -6.115 -2.666 434 HA LYS 59 HA LYS 59 0.612 -8.649 -2.824 435 1HB LYS 59 1HB LYS 59 1.013 -6.432 -4.831 436 2HB LYS 59 2HB LYS 59 1.861 -7.973 -4.786 437 1HG LYS 59 1HG LYS 59 0.323 -8.497 -6.357 438 2HG LYS 59 2HG LYS 59 -0.639 -8.887 -4.927 439 1HD LYS 59 1HD LYS 59 -2.043 -7.156 -5.244 440 2HD LYS 59 2HD LYS 59 -0.753 -6.077 -5.773 441 1HE LYS 59 1HE LYS 59 -1.962 -8.268 -7.455 442 2HE LYS 59 2HE LYS 59 -2.421 -6.568 -7.542 443 1HZ LYS 59 1HZ LYS 59 0.116 -6.246 -7.922 444 2HZ LYS 59 2HZ LYS 59 0.068 -7.866 -8.405 445 3HZ LYS 59 3HZ LYS 59 -0.877 -6.715 -9.207 446 H VAL 60 H VAL 60 1.153 -7.939 -0.662 447 HA VAL 60 HA VAL 60 3.679 -6.696 -0.538 448 HB VAL 60 HB VAL 60 2.879 -4.557 -0.702 449 1HG1 VAL 60 1HG1 VAL 60 0.340 -5.480 0.627 450 2HG1 VAL 60 2HG1 VAL 60 0.670 -3.805 0.185 451 3HG1 VAL 60 3HG1 VAL 60 0.574 -5.047 -1.067 452 1HG2 VAL 60 1HG2 VAL 60 3.793 -5.072 1.702 453 2HG2 VAL 60 2HG2 VAL 60 3.102 -3.495 1.321 454 3HG2 VAL 60 3HG2 VAL 60 2.140 -4.694 2.184 455 H LYS 61 H LYS 61 4.634 -6.892 1.491 456 HA LYS 61 HA LYS 61 3.034 -8.099 3.627 457 1HB LYS 61 1HB LYS 61 4.425 -9.733 2.017 458 2HB LYS 61 2HB LYS 61 5.702 -9.307 3.147 459 1HG LYS 61 1HG LYS 61 4.936 -10.976 4.399 460 2HG LYS 61 2HG LYS 61 3.599 -9.899 4.808 461 1HD LYS 61 1HD LYS 61 2.123 -11.029 3.520 462 2HD LYS 61 2HD LYS 61 3.321 -11.383 2.274 463 1HE LYS 61 1HE LYS 61 3.039 -13.484 3.098 464 2HE LYS 61 2HE LYS 61 4.301 -12.928 4.196 465 1HZ LYS 61 1HZ LYS 61 1.470 -12.537 4.900 466 2HZ LYS 61 2HZ LYS 61 2.192 -14.047 5.143 467 3HZ LYS 61 3HZ LYS 61 2.814 -12.677 5.917 468 H VAL 62 H VAL 62 4.346 -8.278 5.687 469 HA VAL 62 HA VAL 62 5.617 -5.729 6.144 470 HB VAL 62 HB VAL 62 4.029 -6.735 7.779 471 1HG1 VAL 62 1HG1 VAL 62 5.845 -8.949 7.562 472 2HG1 VAL 62 2HG1 VAL 62 5.716 -8.425 9.241 473 3HG1 VAL 62 3HG1 VAL 62 4.265 -8.869 8.341 474 1HG2 VAL 62 1HG2 VAL 62 6.714 -5.713 8.403 475 2HG2 VAL 62 2HG2 VAL 62 5.128 -5.134 8.915 476 3HG2 VAL 62 3HG2 VAL 62 5.877 -6.500 9.741 477 H GLY 63 H GLY 63 7.275 -6.807 4.432 478 1HA GLY 63 1HA GLY 63 9.365 -8.267 5.867 479 2HA GLY 63 2HA GLY 63 9.769 -6.668 5.263 480 H ASP 64 H ASP 64 8.988 -6.422 2.828 481 HA ASP 64 HA ASP 64 10.400 -8.523 1.406 482 1HB ASP 64 1HB ASP 64 8.675 -9.028 -0.151 483 2HB ASP 64 2HB ASP 64 7.945 -9.150 1.446 484 H LYS 65 H LYS 65 11.182 -7.890 -0.636 485 HA LYS 65 HA LYS 65 11.905 -5.174 -0.838 486 1HB LYS 65 1HB LYS 65 12.118 -7.488 -2.756 487 2HB LYS 65 2HB LYS 65 12.710 -5.882 -3.157 488 1HG LYS 65 1HG LYS 65 13.860 -6.305 -0.723 489 2HG LYS 65 2HG LYS 65 13.854 -7.928 -1.414 490 1HD LYS 65 1HD LYS 65 14.661 -6.211 -3.481 491 2HD LYS 65 2HD LYS 65 15.539 -5.685 -2.042 492 1HE LYS 65 1HE LYS 65 16.250 -8.032 -1.679 493 2HE LYS 65 2HE LYS 65 15.459 -8.472 -3.191 494 1HZ LYS 65 1HZ LYS 65 17.169 -6.288 -3.648 495 2HZ LYS 65 2HZ LYS 65 18.039 -7.487 -2.833 496 3HZ LYS 65 3HZ LYS 65 17.260 -7.850 -4.291 497 H ILE 66 H ILE 66 10.811 -3.505 -1.602 498 HA ILE 66 HA ILE 66 8.796 -3.961 -3.677 499 HB ILE 66 HB ILE 66 8.130 -3.394 -1.068 500 1HG1 ILE 66 1HG1 ILE 66 5.881 -3.057 -1.939 501 2HG1 ILE 66 2HG1 ILE 66 6.536 -2.736 -3.545 502 1HG2 ILE 66 1HG2 ILE 66 8.061 -0.791 -2.579 503 2HG2 ILE 66 2HG2 ILE 66 7.090 -1.119 -1.145 504 3HG2 ILE 66 3HG2 ILE 66 8.849 -1.131 -1.040 505 1HD1 ILE 66 1HD1 ILE 66 7.612 -5.189 -2.747 506 2HD1 ILE 66 2HD1 ILE 66 5.900 -5.235 -2.312 507 3HD1 ILE 66 3HD1 ILE 66 6.380 -4.896 -3.976 508 H SER 67 H SER 67 8.096 -1.809 -4.692 509 HA SER 67 HA SER 67 10.149 0.240 -4.686 510 1HB SER 67 1HB SER 67 10.260 0.051 -7.263 511 2HB SER 67 2HB SER 67 11.194 -1.095 -6.302 512 HG SER 67 HG SER 67 9.340 -1.627 -8.108 513 H GLU 68 H GLU 68 9.512 2.184 -5.665 514 HA GLU 68 HA GLU 68 6.890 2.965 -5.370 515 1HB GLU 68 1HB GLU 68 9.289 4.074 -6.649 516 2HB GLU 68 2HB GLU 68 7.777 4.683 -7.308 517 1HG GLU 68 1HG GLU 68 7.254 4.913 -4.689 518 2HG GLU 68 2HG GLU 68 9.006 5.110 -4.668 519 H GLY 69 H GLY 69 5.320 1.736 -6.303 520 1HA GLY 69 1HA GLY 69 5.246 1.787 -9.250 521 2HA GLY 69 2HA GLY 69 3.831 1.751 -8.212 522 H GLY 70 H GLY 70 4.133 -0.282 -6.549 523 1HA GLY 70 1HA GLY 70 4.838 -2.607 -6.485 524 2HA GLY 70 2HA GLY 70 4.823 -2.603 -8.242 525 H LEU 71 H LEU 71 2.216 -0.967 -7.969 526 HA LEU 71 HA LEU 71 -0.034 -1.330 -7.784 527 1HB LEU 71 1HB LEU 71 0.539 -2.547 -9.846 528 2HB LEU 71 2HB LEU 71 0.806 -4.004 -8.907 529 HG LEU 71 HG LEU 71 -1.486 -4.276 -8.449 530 1HD1 LEU 71 1HD1 LEU 71 -1.778 -1.409 -9.306 531 2HD1 LEU 71 2HD1 LEU 71 -3.153 -2.503 -9.165 532 3HD1 LEU 71 3HD1 LEU 71 -2.171 -2.135 -7.746 533 1HD2 LEU 71 1HD2 LEU 71 -0.780 -4.735 -10.803 534 2HD2 LEU 71 2HD2 LEU 71 -2.500 -4.399 -10.605 535 3HD2 LEU 71 3HD2 LEU 71 -1.428 -3.154 -11.244 536 H ILE 72 H ILE 72 1.076 -1.615 -5.356 537 HA ILE 72 HA ILE 72 0.948 -3.903 -3.917 538 HB ILE 72 HB ILE 72 0.281 -1.077 -3.216 539 1HG1 ILE 72 1HG1 ILE 72 2.291 -2.745 -1.801 540 2HG1 ILE 72 2HG1 ILE 72 2.612 -2.347 -3.486 541 1HG2 ILE 72 1HG2 ILE 72 -0.415 -3.454 -1.588 542 2HG2 ILE 72 2HG2 ILE 72 0.388 -2.125 -0.749 543 3HG2 ILE 72 3HG2 ILE 72 -1.129 -1.842 -1.604 544 1HD1 ILE 72 1HD1 ILE 72 1.802 0.036 -2.270 545 2HD1 ILE 72 2HD1 ILE 72 2.923 -0.738 -1.151 546 3HD1 ILE 72 3HD1 ILE 72 3.421 -0.411 -2.810 547 H VAL 73 H VAL 73 -1.822 -1.736 -3.487 548 HA VAL 73 HA VAL 73 -3.598 -4.050 -3.894 549 HB VAL 73 HB VAL 73 -5.004 -3.328 -2.058 550 1HG1 VAL 73 1HG1 VAL 73 -2.260 -4.189 -1.744 551 2HG1 VAL 73 2HG1 VAL 73 -2.842 -3.334 -0.316 552 3HG1 VAL 73 3HG1 VAL 73 -3.718 -4.742 -0.919 553 1HG2 VAL 73 1HG2 VAL 73 -3.240 -0.967 -2.134 554 2HG2 VAL 73 2HG2 VAL 73 -4.945 -1.100 -1.702 555 3HG2 VAL 73 3HG2 VAL 73 -3.701 -1.534 -0.528 556 H VAL 74 H VAL 74 -5.643 -3.645 -4.702 557 HA VAL 74 HA VAL 74 -6.057 -0.952 -5.852 558 HB VAL 74 HB VAL 74 -6.862 -3.642 -6.989 559 1HG1 VAL 74 1HG1 VAL 74 -8.252 -1.338 -7.338 560 2HG1 VAL 74 2HG1 VAL 74 -7.102 -1.246 -8.671 561 3HG1 VAL 74 3HG1 VAL 74 -8.169 -2.641 -8.520 562 1HG2 VAL 74 1HG2 VAL 74 -4.557 -1.882 -7.394 563 2HG2 VAL 74 2HG2 VAL 74 -4.745 -3.605 -7.723 564 3HG2 VAL 74 3HG2 VAL 74 -5.341 -2.415 -8.881 565 H VAL 75 H VAL 75 -7.986 0.019 -5.409 566 HA VAL 75 HA VAL 75 -9.982 -1.587 -3.979 567 HB VAL 75 HB VAL 75 -10.585 0.391 -2.724 568 1HG1 VAL 75 1HG1 VAL 75 -8.284 -1.095 -2.410 569 2HG1 VAL 75 2HG1 VAL 75 -7.733 0.572 -2.235 570 3HG1 VAL 75 3HG1 VAL 75 -9.019 -0.044 -1.198 571 1HG2 VAL 75 1HG2 VAL 75 -9.469 1.797 -4.785 572 2HG2 VAL 75 2HG2 VAL 75 -9.963 2.475 -3.236 573 3HG2 VAL 75 3HG2 VAL 75 -8.284 2.005 -3.497 574 H GLU 76 H GLU 76 -12.188 -0.658 -4.005 575 HA GLU 76 HA GLU 76 -13.001 -0.210 -6.721 576 1HB GLU 76 1HB GLU 76 -14.211 -1.128 -4.290 577 2HB GLU 76 2HB GLU 76 -15.172 0.200 -4.932 578 1HG GLU 76 1HG GLU 76 -15.056 -1.058 -7.164 579 2HG GLU 76 2HG GLU 76 -14.531 -2.435 -6.196 580 H ALA 77 H ALA 77 -12.754 1.682 -3.774 581 HA ALA 77 HA ALA 77 -12.928 3.893 -3.329 582 1HB ALA 77 1HB ALA 77 -11.811 5.284 -4.742 583 2HB ALA 77 2HB ALA 77 -12.541 4.586 -6.189 584 3HB ALA 77 3HB ALA 77 -11.259 3.720 -5.340 585 H GLU 78 H GLU 78 -14.328 5.654 -3.338 586 HA GLU 78 HA GLU 78 -16.486 6.440 -3.291 587 1HB GLU 78 1HB GLU 78 -17.181 7.321 -5.466 588 2HB GLU 78 2HB GLU 78 -15.471 7.606 -5.174 589 1HG GLU 78 1HG GLU 78 -14.804 6.137 -6.797 590 2HG GLU 78 2HG GLU 78 -16.279 5.177 -6.688 591 H GLY 79 H GLY 79 -16.856 3.924 -2.686 592 1HA GLY 79 1HA GLY 79 -17.973 1.901 -3.556 593 2HA GLY 79 2HA GLY 79 -18.995 2.980 -4.494 594 H THR 80 H THR 80 -18.331 1.671 -1.333 595 HA THR 80 HA THR 80 -21.009 2.525 -0.486 596 HB THR 80 HB THR 80 -20.890 0.694 1.143 597 HG1 THR 80 HG1 THR 80 -19.120 -0.482 1.416 598 1HG2 THR 80 1HG2 THR 80 -21.729 0.150 -1.090 599 2HG2 THR 80 2HG2 THR 80 -20.091 -0.273 -1.590 600 3HG2 THR 80 3HG2 THR 80 -20.900 -1.212 -0.336 601 H ALA 81 H ALA 81 -21.061 2.533 2.102 602 HA ALA 81 HA ALA 81 -18.830 3.529 3.495 603 1HB ALA 81 1HB ALA 81 -20.086 5.911 3.686 604 2HB ALA 81 2HB ALA 81 -20.418 5.505 2.001 605 3HB ALA 81 3HB ALA 81 -18.753 5.584 2.577 No H/Q in entry = 605 Start of MODEL 13 1 H1 ALA 1 H1 ALA 1 -13.494 4.850 -9.592 2 H2 ALA 1 H2 ALA 1 -13.351 4.050 -11.101 3 H3 ALA 1 H3 ALA 1 -14.702 5.064 -10.793 4 HA ALA 1 HA ALA 1 -15.573 3.618 -9.234 5 1HB ALA 1 1HB ALA 1 -15.468 3.043 -11.843 6 2HB ALA 1 2HB ALA 1 -16.308 2.031 -10.669 7 3HB ALA 1 3HB ALA 1 -14.683 1.601 -11.200 8 H LEU 2 H LEU 2 -12.348 2.603 -10.244 9 HA LEU 2 HA LEU 2 -12.069 1.199 -7.675 10 1HB LEU 2 1HB LEU 2 -11.240 0.227 -10.405 11 2HB LEU 2 2HB LEU 2 -10.585 -0.443 -8.922 12 HG LEU 2 HG LEU 2 -13.486 -0.411 -8.881 13 1HD1 LEU 2 1HD1 LEU 2 -12.908 -0.662 -11.376 14 2HD1 LEU 2 2HD1 LEU 2 -12.313 -2.259 -10.924 15 3HD1 LEU 2 3HD1 LEU 2 -14.002 -1.834 -10.643 16 1HD2 LEU 2 1HD2 LEU 2 -12.056 -1.692 -7.357 17 2HD2 LEU 2 2HD2 LEU 2 -13.160 -2.737 -8.251 18 3HD2 LEU 2 3HD2 LEU 2 -11.461 -2.641 -8.719 19 H VAL 3 H VAL 3 -9.553 0.547 -7.548 20 HA VAL 3 HA VAL 3 -7.839 2.682 -8.505 21 HB VAL 3 HB VAL 3 -8.539 2.345 -5.595 22 1HG1 VAL 3 1HG1 VAL 3 -6.128 3.783 -6.706 23 2HG1 VAL 3 2HG1 VAL 3 -6.686 3.858 -5.034 24 3HG1 VAL 3 3HG1 VAL 3 -6.110 2.329 -5.704 25 1HG2 VAL 3 1HG2 VAL 3 -8.874 4.418 -7.658 26 2HG2 VAL 3 2HG2 VAL 3 -9.875 4.034 -6.257 27 3HG2 VAL 3 3HG2 VAL 3 -8.410 4.995 -6.058 28 H GLU 4 H GLU 4 -5.580 2.343 -7.950 29 HA GLU 4 HA GLU 4 -4.893 -0.399 -7.171 30 1HB GLU 4 1HB GLU 4 -2.989 0.190 -9.081 31 2HB GLU 4 2HB GLU 4 -4.363 -0.883 -9.302 32 1HG GLU 4 1HG GLU 4 -5.663 1.063 -10.145 33 2HG GLU 4 2HG GLU 4 -4.189 2.026 -10.054 34 H LEU 5 H LEU 5 -4.150 0.331 -5.188 35 HA LEU 5 HA LEU 5 -2.588 2.554 -4.673 36 1HB LEU 5 1HB LEU 5 -3.402 0.217 -3.259 37 2HB LEU 5 2HB LEU 5 -1.689 0.451 -2.977 38 HG LEU 5 HG LEU 5 -3.045 1.516 -1.242 39 1HD1 LEU 5 1HD1 LEU 5 -0.870 2.471 -1.832 40 2HD1 LEU 5 2HD1 LEU 5 -1.655 3.518 -3.015 41 3HD1 LEU 5 3HD1 LEU 5 -2.006 3.710 -1.298 42 1HD2 LEU 5 1HD2 LEU 5 -4.797 2.118 -3.226 43 2HD2 LEU 5 2HD2 LEU 5 -4.795 2.869 -1.630 44 3HD2 LEU 5 3HD2 LEU 5 -4.002 3.674 -2.983 45 H LYS 6 H LYS 6 -0.252 2.453 -3.878 46 HA LYS 6 HA LYS 6 1.469 0.585 -5.233 47 1HB LYS 6 1HB LYS 6 1.127 3.402 -6.187 48 2HB LYS 6 2HB LYS 6 2.697 2.624 -6.317 49 1HG LYS 6 1HG LYS 6 2.008 1.800 -8.257 50 2HG LYS 6 2HG LYS 6 0.928 0.752 -7.336 51 1HD LYS 6 1HD LYS 6 -0.640 1.744 -8.640 52 2HD LYS 6 2HD LYS 6 -0.562 2.974 -7.376 53 1HE LYS 6 1HE LYS 6 0.538 4.465 -8.702 54 2HE LYS 6 2HE LYS 6 1.354 3.205 -9.628 55 1HZ LYS 6 1HZ LYS 6 -1.368 2.974 -10.144 56 2HZ LYS 6 2HZ LYS 6 -0.994 4.618 -10.272 57 3HZ LYS 6 3HZ LYS 6 -0.154 3.484 -11.205 58 H VAL 7 H VAL 7 3.752 0.979 -4.762 59 HA VAL 7 HA VAL 7 4.268 1.379 -2.075 60 HB VAL 7 HB VAL 7 6.187 1.726 -4.386 61 1HG1 VAL 7 1HG1 VAL 7 6.824 2.584 -2.020 62 2HG1 VAL 7 2HG1 VAL 7 6.981 0.872 -1.638 63 3HG1 VAL 7 3HG1 VAL 7 7.963 1.582 -2.917 64 1HG2 VAL 7 1HG2 VAL 7 4.954 -0.447 -4.283 65 2HG2 VAL 7 2HG2 VAL 7 6.706 -0.585 -4.148 66 3HG2 VAL 7 3HG2 VAL 7 5.699 -0.724 -2.709 67 HA PRO 8 HA PRO 8 4.101 5.775 -1.639 68 1HB PRO 8 1HB PRO 8 5.557 6.064 0.640 69 2HB PRO 8 2HB PRO 8 3.887 5.485 0.614 70 1HG PRO 8 1HG PRO 8 6.428 3.933 0.864 71 2HG PRO 8 2HG PRO 8 4.871 3.680 1.673 72 1HD PRO 8 1HD PRO 8 5.711 2.206 -0.461 73 2HD PRO 8 2HD PRO 8 4.000 2.508 -0.099 74 H ASP 9 H ASP 9 5.854 7.489 -0.664 75 HA ASP 9 HA ASP 9 8.022 7.419 -2.622 76 1HB ASP 9 1HB ASP 9 6.397 9.484 -1.331 77 2HB ASP 9 2HB ASP 9 8.109 9.891 -1.410 78 H ILE 10 H ILE 10 8.799 5.676 -0.910 79 HA ILE 10 HA ILE 10 9.824 6.287 1.549 80 HB ILE 10 HB ILE 10 11.785 4.656 0.788 81 1HG1 ILE 10 1HG1 ILE 10 11.148 3.158 -0.974 82 2HG1 ILE 10 2HG1 ILE 10 9.584 3.940 -1.157 83 1HG2 ILE 10 1HG2 ILE 10 9.953 4.275 2.445 84 2HG2 ILE 10 2HG2 ILE 10 8.959 3.664 1.119 85 3HG2 ILE 10 3HG2 ILE 10 10.453 2.834 1.559 86 1HD1 ILE 10 1HD1 ILE 10 12.064 5.524 -1.603 87 2HD1 ILE 10 2HD1 ILE 10 11.510 4.401 -2.844 88 3HD1 ILE 10 3HD1 ILE 10 10.460 5.714 -2.312 89 H GLY 11 H GLY 11 11.000 7.389 -1.523 90 1HA GLY 11 1HA GLY 11 12.708 9.297 -0.297 91 2HA GLY 11 2HA GLY 11 12.589 8.971 -2.019 92 H GLY 12 H GLY 12 13.491 6.551 -2.438 93 1HA GLY 12 1HA GLY 12 15.418 5.240 -1.205 94 2HA GLY 12 2HA GLY 12 16.278 6.727 -1.572 95 H HIS 13 H HIS 13 14.326 4.199 -3.133 96 HA HIS 13 HA HIS 13 14.962 4.687 -5.768 97 1HB HIS 13 1HB HIS 13 16.800 2.964 -6.105 98 2HB HIS 13 2HB HIS 13 17.287 4.478 -5.350 99 HD1 HIS 13 HD1 HIS 13 19.234 2.433 -4.782 100 HD2 HIS 13 HD2 HIS 13 15.737 2.664 -2.548 101 HE1 HIS 13 HE1 HIS 13 19.729 1.226 -2.632 102 HE2 HIS 13 HE2 HIS 13 17.627 1.453 -1.262 103 H GLU 14 H GLU 14 15.159 2.369 -7.002 104 HA GLU 14 HA GLU 14 12.691 1.082 -6.438 105 1HB GLU 14 1HB GLU 14 13.352 -0.470 -8.264 106 2HB GLU 14 2HB GLU 14 13.479 1.224 -8.718 107 1HG GLU 14 1HG GLU 14 15.957 0.206 -7.617 108 2HG GLU 14 2HG GLU 14 15.417 -0.721 -9.016 109 H ASN 15 H ASN 15 12.640 -1.424 -6.374 110 HA ASN 15 HA ASN 15 12.821 -3.186 -4.916 111 1HB ASN 15 1HB ASN 15 15.158 -4.148 -4.877 112 2HB ASN 15 2HB ASN 15 14.497 -3.845 -6.480 113 1HD2 ASN 15 2HD2 ASN 15 16.886 -2.967 -4.154 114 2HD2 ASN 15 1HD2 ASN 15 17.799 -1.913 -5.173 115 H VAL 16 H VAL 16 12.159 -2.313 -2.950 116 HA VAL 16 HA VAL 16 14.363 -1.693 -1.096 117 HB VAL 16 HB VAL 16 13.071 -0.007 0.006 118 1HG1 VAL 16 1HG1 VAL 16 13.582 0.155 -2.863 119 2HG1 VAL 16 2HG1 VAL 16 12.413 1.338 -2.278 120 3HG1 VAL 16 3HG1 VAL 16 14.024 1.262 -1.564 121 1HG2 VAL 16 1HG2 VAL 16 10.851 -1.343 -1.179 122 2HG2 VAL 16 2HG2 VAL 16 10.850 -0.075 0.047 123 3HG2 VAL 16 3HG2 VAL 16 10.812 0.351 -1.665 124 H ASP 17 H ASP 17 12.483 -1.411 1.157 125 HA ASP 17 HA ASP 17 11.345 -4.098 1.327 126 1HB ASP 17 1HB ASP 17 13.187 -2.965 3.439 127 2HB ASP 17 2HB ASP 17 12.414 -4.548 3.456 128 H ILE 18 H ILE 18 9.335 -3.983 2.044 129 HA ILE 18 HA ILE 18 8.184 -1.616 3.069 130 HB ILE 18 HB ILE 18 7.198 -4.472 3.015 131 1HG1 ILE 18 1HG1 ILE 18 6.039 -2.227 1.437 132 2HG1 ILE 18 2HG1 ILE 18 7.586 -2.896 0.926 133 1HG2 ILE 18 1HG2 ILE 18 5.761 -1.975 3.886 134 2HG2 ILE 18 2HG2 ILE 18 4.939 -3.466 3.431 135 3HG2 ILE 18 3HG2 ILE 18 6.031 -3.449 4.815 136 1HD1 ILE 18 1HD1 ILE 18 5.721 -5.005 1.464 137 2HD1 ILE 18 2HD1 ILE 18 5.041 -3.850 0.318 138 3HD1 ILE 18 3HD1 ILE 18 6.589 -4.623 -0.021 139 H ILE 19 H ILE 19 7.062 -1.496 5.232 140 HA ILE 19 HA ILE 19 8.629 -2.959 7.254 141 HB ILE 19 HB ILE 19 9.513 -1.148 8.170 142 1HG1 ILE 19 1HG1 ILE 19 6.770 0.120 8.214 143 2HG1 ILE 19 2HG1 ILE 19 7.525 -0.786 9.517 144 1HG2 ILE 19 1HG2 ILE 19 9.156 -0.374 5.632 145 2HG2 ILE 19 2HG2 ILE 19 8.270 0.906 6.461 146 3HG2 ILE 19 3HG2 ILE 19 9.961 0.610 6.847 147 1HD1 ILE 19 1HD1 ILE 19 8.493 1.838 8.411 148 2HD1 ILE 19 2HD1 ILE 19 7.606 1.606 9.919 149 3HD1 ILE 19 3HD1 ILE 19 9.227 0.935 9.736 150 H ALA 20 H ALA 20 5.541 -2.150 6.159 151 HA ALA 20 HA ALA 20 4.384 -3.463 8.469 152 1HB ALA 20 1HB ALA 20 4.513 -0.877 8.793 153 2HB ALA 20 2HB ALA 20 3.123 -0.872 7.707 154 3HB ALA 20 3HB ALA 20 3.048 -1.755 9.231 155 H VAL 21 H VAL 21 2.087 -3.969 8.167 156 HA VAL 21 HA VAL 21 1.099 -3.817 5.432 157 HB VAL 21 HB VAL 21 2.396 -5.911 5.495 158 1HG1 VAL 21 1HG1 VAL 21 1.665 -6.156 8.055 159 2HG1 VAL 21 2HG1 VAL 21 0.457 -7.207 7.314 160 3HG1 VAL 21 3HG1 VAL 21 2.174 -7.527 7.068 161 1HG2 VAL 21 1HG2 VAL 21 -0.006 -5.527 4.390 162 2HG2 VAL 21 2HG2 VAL 21 0.877 -7.046 4.248 163 3HG2 VAL 21 3HG2 VAL 21 -0.401 -6.879 5.452 164 H GLU 22 H GLU 22 -1.062 -3.584 5.348 165 HA GLU 22 HA GLU 22 -2.803 -4.633 7.375 166 1HB GLU 22 1HB GLU 22 -2.270 -1.669 7.223 167 2HB GLU 22 2HB GLU 22 -3.739 -2.330 7.926 168 1HG GLU 22 1HG GLU 22 -2.270 -3.650 9.481 169 2HG GLU 22 2HG GLU 22 -0.914 -2.698 8.878 170 H VAL 23 H VAL 23 -3.427 -5.574 5.275 171 HA VAL 23 HA VAL 23 -5.576 -4.006 4.097 172 HB VAL 23 HB VAL 23 -4.794 -4.804 1.778 173 1HG1 VAL 23 1HG1 VAL 23 -3.507 -2.561 3.312 174 2HG1 VAL 23 2HG1 VAL 23 -3.274 -2.783 1.578 175 3HG1 VAL 23 3HG1 VAL 23 -4.890 -2.488 2.220 176 1HG2 VAL 23 1HG2 VAL 23 -2.271 -5.086 3.387 177 2HG2 VAL 23 2HG2 VAL 23 -3.015 -6.255 2.298 178 3HG2 VAL 23 3HG2 VAL 23 -2.252 -4.806 1.646 179 H ASN 24 H ASN 24 -7.276 -5.254 4.287 180 HA ASN 24 HA ASN 24 -6.966 -8.137 3.779 181 1HB ASN 24 1HB ASN 24 -9.149 -6.911 5.453 182 2HB ASN 24 2HB ASN 24 -8.680 -8.604 5.344 183 1HD2 ASN 24 2HD2 ASN 24 -8.125 -9.031 7.392 184 2HD2 ASN 24 1HD2 ASN 24 -6.879 -8.213 8.266 185 H VAL 25 H VAL 25 -7.458 -8.185 1.667 186 HA VAL 25 HA VAL 25 -9.198 -6.761 0.161 187 HB VAL 25 HB VAL 25 -9.427 -8.711 -1.305 188 1HG1 VAL 25 1HG1 VAL 25 -7.383 -7.358 -1.369 189 2HG1 VAL 25 2HG1 VAL 25 -6.648 -8.431 -0.177 190 3HG1 VAL 25 3HG1 VAL 25 -7.067 -9.045 -1.776 191 1HG2 VAL 25 1HG2 VAL 25 -8.770 -10.131 1.157 192 2HG2 VAL 25 2HG2 VAL 25 -9.609 -10.697 -0.288 193 3HG2 VAL 25 3HG2 VAL 25 -7.846 -10.679 -0.241 194 H GLY 26 H GLY 26 -11.232 -6.213 0.601 195 1HA GLY 26 1HA GLY 26 -13.066 -8.338 1.524 196 2HA GLY 26 2HA GLY 26 -13.538 -7.084 0.388 197 H ASP 27 H ASP 27 -11.804 -5.212 2.158 198 HA ASP 27 HA ASP 27 -13.868 -4.792 4.220 199 1HB ASP 27 1HB ASP 27 -11.006 -5.058 4.478 200 2HB ASP 27 2HB ASP 27 -11.520 -3.469 5.036 201 H THR 28 H THR 28 -14.450 -2.643 4.698 202 HA THR 28 HA THR 28 -14.332 -0.878 2.438 203 HB THR 28 HB THR 28 -15.442 -0.248 5.172 204 HG1 THR 28 HG1 THR 28 -16.547 -1.759 3.061 205 1HG2 THR 28 1HG2 THR 28 -15.291 1.592 3.473 206 2HG2 THR 28 2HG2 THR 28 -16.429 0.669 2.491 207 3HG2 THR 28 3HG2 THR 28 -16.907 1.247 4.087 208 H ILE 29 H ILE 29 -13.314 1.090 2.258 209 HA ILE 29 HA ILE 29 -11.623 2.003 4.458 210 HB ILE 29 HB ILE 29 -9.694 2.321 2.939 211 1HG1 ILE 29 1HG1 ILE 29 -9.882 0.636 0.888 212 2HG1 ILE 29 2HG1 ILE 29 -11.591 1.037 1.030 213 1HG2 ILE 29 1HG2 ILE 29 -10.387 0.115 4.340 214 2HG2 ILE 29 2HG2 ILE 29 -10.141 -0.576 2.735 215 3HG2 ILE 29 3HG2 ILE 29 -8.842 0.324 3.518 216 1HD1 ILE 29 1HD1 ILE 29 -9.399 3.072 0.747 217 2HD1 ILE 29 2HD1 ILE 29 -10.346 2.430 -0.593 218 3HD1 ILE 29 3HD1 ILE 29 -11.137 3.356 0.679 219 H ALA 30 H ALA 30 -10.637 4.167 3.969 220 HA ALA 30 HA ALA 30 -12.361 5.734 2.167 221 1HB ALA 30 1HB ALA 30 -12.929 5.945 4.630 222 2HB ALA 30 2HB ALA 30 -11.382 6.771 4.812 223 3HB ALA 30 3HB ALA 30 -12.625 7.449 3.759 224 H VAL 31 H VAL 31 -11.265 8.180 2.380 225 HA VAL 31 HA VAL 31 -8.683 7.796 1.091 226 HB VAL 31 HB VAL 31 -10.110 10.423 1.452 227 1HG1 VAL 31 1HG1 VAL 31 -7.658 10.108 0.602 228 2HG1 VAL 31 2HG1 VAL 31 -8.453 9.644 -0.902 229 3HG1 VAL 31 3HG1 VAL 31 -8.743 11.239 -0.208 230 1HG2 VAL 31 1HG2 VAL 31 -11.560 8.592 0.423 231 2HG2 VAL 31 2HG2 VAL 31 -11.367 10.082 -0.501 232 3HG2 VAL 31 3HG2 VAL 31 -10.448 8.644 -0.944 233 H ASP 32 H ASP 32 -8.537 7.256 3.801 234 HA ASP 32 HA ASP 32 -6.375 8.801 4.618 235 1HB ASP 32 1HB ASP 32 -7.525 9.942 6.614 236 2HB ASP 32 2HB ASP 32 -7.726 10.678 5.027 237 H ASP 33 H ASP 33 -6.160 6.347 4.738 238 HA ASP 33 HA ASP 33 -6.341 5.606 7.536 239 1HB ASP 33 1HB ASP 33 -7.238 3.277 6.733 240 2HB ASP 33 2HB ASP 33 -8.366 4.596 7.030 241 H THR 34 H THR 34 -4.246 5.239 7.884 242 HA THR 34 HA THR 34 -2.268 4.620 6.144 243 HB THR 34 HB THR 34 -1.418 3.221 8.284 244 HG1 THR 34 HG1 THR 34 -2.580 3.644 9.967 245 1HG2 THR 34 1HG2 THR 34 -1.450 6.205 7.987 246 2HG2 THR 34 2HG2 THR 34 -0.434 5.307 9.115 247 3HG2 THR 34 3HG2 THR 34 -0.224 5.092 7.375 248 H LEU 35 H LEU 35 -1.911 3.068 4.769 249 HA LEU 35 HA LEU 35 -3.210 0.480 5.103 250 1HB LEU 35 1HB LEU 35 -1.621 1.625 2.802 251 2HB LEU 35 2HB LEU 35 -2.401 0.055 2.797 252 HG LEU 35 HG LEU 35 -3.777 2.735 2.944 253 1HD1 LEU 35 1HD1 LEU 35 -3.253 0.762 0.783 254 2HD1 LEU 35 2HD1 LEU 35 -4.785 1.635 0.776 255 3HD1 LEU 35 3HD1 LEU 35 -3.265 2.526 0.730 256 1HD2 LEU 35 1HD2 LEU 35 -4.709 -0.016 3.483 257 2HD2 LEU 35 2HD2 LEU 35 -5.307 1.527 4.093 258 3HD2 LEU 35 3HD2 LEU 35 -5.754 0.986 2.476 259 H ILE 36 H ILE 36 0.020 1.879 4.660 260 HA ILE 36 HA ILE 36 1.167 -0.283 6.205 261 HB ILE 36 HB ILE 36 2.936 -0.766 4.480 262 1HG1 ILE 36 1HG1 ILE 36 2.673 -0.261 2.224 263 2HG1 ILE 36 2HG1 ILE 36 0.963 0.119 2.398 264 1HG2 ILE 36 1HG2 ILE 36 0.644 -2.005 5.027 265 2HG2 ILE 36 2HG2 ILE 36 0.412 -1.709 3.305 266 3HG2 ILE 36 3HG2 ILE 36 1.822 -2.610 3.864 267 1HD1 ILE 36 1HD1 ILE 36 1.590 2.196 3.569 268 2HD1 ILE 36 2HD1 ILE 36 3.289 1.808 3.289 269 3HD1 ILE 36 3HD1 ILE 36 2.215 2.113 1.923 270 H THR 37 H THR 37 3.692 -0.027 6.065 271 HA THR 37 HA THR 37 4.476 2.782 6.016 272 HB THR 37 HB THR 37 5.040 0.927 8.344 273 HG1 THR 37 HG1 THR 37 3.393 1.797 9.288 274 1HG2 THR 37 1HG2 THR 37 6.818 2.623 7.825 275 2HG2 THR 37 2HG2 THR 37 5.618 3.866 8.177 276 3HG2 THR 37 3HG2 THR 37 6.102 2.727 9.433 277 H LEU 38 H LEU 38 6.157 2.864 4.668 278 HA LEU 38 HA LEU 38 7.866 0.481 4.443 279 1HB LEU 38 1HB LEU 38 7.023 2.574 2.478 280 2HB LEU 38 2HB LEU 38 8.468 1.619 2.197 281 HG LEU 38 HG LEU 38 6.733 -0.368 2.692 282 1HD1 LEU 38 1HD1 LEU 38 5.087 1.923 2.456 283 2HD1 LEU 38 2HD1 LEU 38 4.843 0.935 1.014 284 3HD1 LEU 38 3HD1 LEU 38 4.602 0.234 2.615 285 1HD2 LEU 38 1HD2 LEU 38 7.819 0.945 0.339 286 2HD2 LEU 38 2HD2 LEU 38 7.669 -0.773 0.711 287 3HD2 LEU 38 3HD2 LEU 38 6.306 0.099 0.011 288 H GLU 39 H GLU 39 10.092 1.088 3.458 289 HA GLU 39 HA GLU 39 11.311 3.540 4.048 290 1HB GLU 39 1HB GLU 39 10.957 3.044 6.370 291 2HB GLU 39 2HB GLU 39 11.597 1.419 6.176 292 1HG GLU 39 1HG GLU 39 13.301 3.807 5.601 293 2HG GLU 39 2HG GLU 39 13.074 3.233 7.253 294 H THR 40 H THR 40 13.625 3.490 3.705 295 HA THR 40 HA THR 40 14.597 0.997 2.485 296 HB THR 40 HB THR 40 15.410 2.109 0.580 297 HG1 THR 40 HG1 THR 40 15.909 4.167 0.535 298 1HG2 THR 40 1HG2 THR 40 12.692 3.062 1.329 299 2HG2 THR 40 2HG2 THR 40 13.460 3.665 -0.139 300 3HG2 THR 40 3HG2 THR 40 13.184 1.938 0.067 301 H ASP 41 H ASP 41 15.678 4.275 3.327 302 HA ASP 41 HA ASP 41 17.533 3.452 5.274 303 1HB ASP 41 1HB ASP 41 18.716 2.528 3.303 304 2HB ASP 41 2HB ASP 41 18.759 4.138 2.592 305 H LYS 42 H LYS 42 16.703 5.828 2.805 306 HA LYS 42 HA LYS 42 17.922 8.027 4.172 307 1HB LYS 42 1HB LYS 42 16.192 7.689 1.771 308 2HB LYS 42 2HB LYS 42 16.260 9.281 2.514 309 1HG LYS 42 1HG LYS 42 18.705 7.741 1.679 310 2HG LYS 42 2HG LYS 42 17.871 8.895 0.636 311 1HD LYS 42 1HD LYS 42 18.870 10.614 1.637 312 2HD LYS 42 2HD LYS 42 18.355 10.048 3.228 313 1HE LYS 42 1HE LYS 42 20.270 8.498 3.269 314 2HE LYS 42 2HE LYS 42 20.795 9.131 1.709 315 1HZ LYS 42 1HZ LYS 42 20.794 11.379 2.896 316 2HZ LYS 42 2HZ LYS 42 20.771 10.483 4.332 317 3HZ LYS 42 3HZ LYS 42 22.052 10.305 3.243 318 H ALA 43 H ALA 43 14.835 6.448 4.287 319 HA ALA 43 HA ALA 43 14.040 7.581 6.689 320 1HB ALA 43 1HB ALA 43 13.007 9.511 6.265 321 2HB ALA 43 2HB ALA 43 12.171 8.848 4.863 322 3HB ALA 43 3HB ALA 43 13.811 9.476 4.696 323 H THR 44 H THR 44 11.617 7.288 7.088 324 HA THR 44 HA THR 44 10.741 4.854 5.681 325 HB THR 44 HB THR 44 9.783 4.074 7.658 326 HG1 THR 44 HG1 THR 44 9.495 5.532 9.482 327 1HG2 THR 44 1HG2 THR 44 12.423 4.992 7.856 328 2HG2 THR 44 2HG2 THR 44 11.636 5.392 9.382 329 3HG2 THR 44 3HG2 THR 44 11.639 3.728 8.801 330 H MET 45 H MET 45 8.869 4.876 4.594 331 HA MET 45 HA MET 45 7.195 7.283 4.828 332 1HB MET 45 1HB MET 45 8.237 5.833 2.570 333 2HB MET 45 2HB MET 45 6.480 5.871 2.501 334 1HG MET 45 1HG MET 45 7.311 7.745 1.298 335 2HG MET 45 2HG MET 45 6.580 8.334 2.789 336 1HE MET 45 1HE MET 45 7.650 10.622 2.830 337 2HE MET 45 2HE MET 45 7.763 9.885 4.429 338 3HE MET 45 3HE MET 45 9.132 10.783 3.773 339 H ASP 46 H ASP 46 4.944 6.466 3.563 340 HA ASP 46 HA ASP 46 3.851 4.013 4.367 341 1HB ASP 46 1HB ASP 46 2.323 4.865 6.172 342 2HB ASP 46 2HB ASP 46 4.018 4.781 6.640 343 H VAL 47 H VAL 47 1.394 4.044 4.162 344 HA VAL 47 HA VAL 47 0.566 6.201 2.331 345 HB VAL 47 HB VAL 47 -0.023 3.254 2.022 346 1HG1 VAL 47 1HG1 VAL 47 -1.626 5.408 1.254 347 2HG1 VAL 47 2HG1 VAL 47 -0.783 4.914 -0.214 348 3HG1 VAL 47 3HG1 VAL 47 -1.740 3.742 0.691 349 1HG2 VAL 47 1HG2 VAL 47 2.248 3.991 1.338 350 2HG2 VAL 47 2HG2 VAL 47 1.274 3.378 0.001 351 3HG2 VAL 47 3HG2 VAL 47 1.500 5.115 0.203 352 HA PRO 48 HA PRO 48 -2.889 6.179 5.190 353 1HB PRO 48 1HB PRO 48 -3.886 8.561 4.549 354 2HB PRO 48 2HB PRO 48 -2.328 8.425 5.374 355 1HG PRO 48 1HG PRO 48 -2.914 9.014 2.513 356 2HG PRO 48 2HG PRO 48 -1.611 9.630 3.545 357 1HD PRO 48 1HD PRO 48 -1.425 7.519 1.687 358 2HD PRO 48 2HD PRO 48 -0.229 7.943 2.926 359 H ALA 49 H ALA 49 -3.057 4.876 2.476 360 HA ALA 49 HA ALA 49 -4.619 4.101 1.016 361 1HB ALA 49 1HB ALA 49 -6.793 3.617 1.911 362 2HB ALA 49 2HB ALA 49 -5.591 3.348 3.172 363 3HB ALA 49 3HB ALA 49 -6.577 4.809 3.192 364 H GLU 50 H GLU 50 -4.821 5.326 -0.751 365 HA GLU 50 HA GLU 50 -6.364 7.813 -0.576 366 1HB GLU 50 1HB GLU 50 -3.940 7.500 -1.666 367 2HB GLU 50 2HB GLU 50 -4.914 7.078 -3.067 368 1HG GLU 50 1HG GLU 50 -5.561 9.191 -3.414 369 2HG GLU 50 2HG GLU 50 -5.764 9.519 -1.694 370 H VAL 51 H VAL 51 -8.232 6.297 -0.375 371 HA VAL 51 HA VAL 51 -9.518 6.069 -2.948 372 HB VAL 51 HB VAL 51 -10.128 3.563 -2.116 373 1HG1 VAL 51 1HG1 VAL 51 -8.433 4.779 -4.129 374 2HG1 VAL 51 2HG1 VAL 51 -7.927 3.141 -3.719 375 3HG1 VAL 51 3HG1 VAL 51 -9.574 3.442 -4.270 376 1HG2 VAL 51 1HG2 VAL 51 -8.123 4.069 -0.402 377 2HG2 VAL 51 2HG2 VAL 51 -8.455 2.458 -1.046 378 3HG2 VAL 51 3HG2 VAL 51 -7.193 3.455 -1.769 379 H ALA 52 H ALA 52 -11.697 4.594 -2.337 380 HA ALA 52 HA ALA 52 -12.780 5.344 0.236 381 1HB ALA 52 1HB ALA 52 -13.022 7.440 -0.896 382 2HB ALA 52 2HB ALA 52 -13.756 6.643 -2.292 383 3HB ALA 52 3HB ALA 52 -14.611 6.687 -0.750 384 H GLY 53 H GLY 53 -12.580 2.844 -0.504 385 1HA GLY 53 1HA GLY 53 -14.308 1.609 -2.199 386 2HA GLY 53 2HA GLY 53 -15.320 2.003 -0.819 387 H VAL 54 H VAL 54 -13.647 -0.416 -2.174 388 HA VAL 54 HA VAL 54 -12.751 -1.605 0.359 389 HB VAL 54 HB VAL 54 -14.542 -2.998 -1.636 390 1HG1 VAL 54 1HG1 VAL 54 -12.701 -4.136 0.028 391 2HG1 VAL 54 2HG1 VAL 54 -14.157 -4.168 1.022 392 3HG1 VAL 54 3HG1 VAL 54 -14.157 -4.933 -0.567 393 1HG2 VAL 54 1HG2 VAL 54 -15.120 -1.382 0.725 394 2HG2 VAL 54 2HG2 VAL 54 -16.185 -1.908 -0.579 395 3HG2 VAL 54 3HG2 VAL 54 -15.851 -2.986 0.777 396 H VAL 55 H VAL 55 -10.980 -2.936 0.190 397 HA VAL 55 HA VAL 55 -9.458 -2.813 -2.215 398 HB VAL 55 HB VAL 55 -8.978 -4.488 0.252 399 1HG1 VAL 55 1HG1 VAL 55 -7.823 -5.346 -1.775 400 2HG1 VAL 55 2HG1 VAL 55 -7.051 -3.769 -1.961 401 3HG1 VAL 55 3HG1 VAL 55 -6.707 -4.755 -0.541 402 1HG2 VAL 55 1HG2 VAL 55 -9.004 -1.838 0.245 403 2HG2 VAL 55 2HG2 VAL 55 -7.811 -2.755 1.164 404 3HG2 VAL 55 3HG2 VAL 55 -7.380 -2.073 -0.404 405 H LYS 56 H LYS 56 -8.838 -4.458 -3.589 406 HA LYS 56 HA LYS 56 -10.569 -6.845 -3.561 407 1HB LYS 56 1HB LYS 56 -9.395 -6.355 -6.148 408 2HB LYS 56 2HB LYS 56 -11.093 -6.511 -5.716 409 1HG LYS 56 1HG LYS 56 -9.613 -3.943 -5.288 410 2HG LYS 56 2HG LYS 56 -10.313 -4.354 -6.855 411 1HD LYS 56 1HD LYS 56 -11.777 -4.100 -4.229 412 2HD LYS 56 2HD LYS 56 -11.876 -3.000 -5.605 413 1HE LYS 56 1HE LYS 56 -12.952 -5.781 -5.325 414 2HE LYS 56 2HE LYS 56 -13.793 -4.309 -5.809 415 1HZ LYS 56 1HZ LYS 56 -12.038 -4.468 -7.765 416 2HZ LYS 56 2HZ LYS 56 -12.148 -6.116 -7.398 417 3HZ LYS 56 3HZ LYS 56 -13.535 -5.253 -7.832 418 H GLU 57 H GLU 57 -7.443 -5.564 -4.620 419 HA GLU 57 HA GLU 57 -6.368 -8.261 -4.349 420 1HB GLU 57 1HB GLU 57 -5.767 -6.037 -6.214 421 2HB GLU 57 2HB GLU 57 -4.426 -7.066 -5.732 422 1HG GLU 57 1HG GLU 57 -6.983 -8.207 -6.796 423 2HG GLU 57 2HG GLU 57 -5.686 -7.667 -7.862 424 H VAL 58 H VAL 58 -3.876 -8.167 -3.939 425 HA VAL 58 HA VAL 58 -2.911 -6.062 -2.265 426 HB VAL 58 HB VAL 58 -4.395 -7.109 -0.637 427 1HG1 VAL 58 1HG1 VAL 58 -3.475 -9.515 -1.874 428 2HG1 VAL 58 2HG1 VAL 58 -3.134 -9.584 -0.145 429 3HG1 VAL 58 3HG1 VAL 58 -4.781 -9.294 -0.708 430 1HG2 VAL 58 1HG2 VAL 58 -1.451 -7.582 -0.205 431 2HG2 VAL 58 2HG2 VAL 58 -2.407 -6.180 0.276 432 3HG2 VAL 58 3HG2 VAL 58 -2.657 -7.733 1.075 433 H LYS 59 H LYS 59 -0.775 -6.031 -2.413 434 HA LYS 59 HA LYS 59 0.718 -8.516 -2.698 435 1HB LYS 59 1HB LYS 59 0.978 -6.244 -4.670 436 2HB LYS 59 2HB LYS 59 1.936 -7.720 -4.657 437 1HG LYS 59 1HG LYS 59 0.429 -8.366 -6.201 438 2HG LYS 59 2HG LYS 59 -0.519 -8.788 -4.772 439 1HD LYS 59 1HD LYS 59 -1.935 -7.009 -5.016 440 2HD LYS 59 2HD LYS 59 -0.720 -6.014 -5.821 441 1HE LYS 59 1HE LYS 59 -2.357 -8.255 -6.979 442 2HE LYS 59 2HE LYS 59 -2.332 -6.561 -7.466 443 1HZ LYS 59 1HZ LYS 59 0.192 -7.153 -7.882 444 2HZ LYS 59 2HZ LYS 59 -0.452 -8.703 -8.094 445 3HZ LYS 59 3HZ LYS 59 -0.994 -7.423 -9.057 446 H VAL 60 H VAL 60 1.136 -7.681 -0.474 447 HA VAL 60 HA VAL 60 3.690 -6.465 -0.369 448 HB VAL 60 HB VAL 60 2.865 -4.344 -0.621 449 1HG1 VAL 60 1HG1 VAL 60 0.367 -5.143 0.862 450 2HG1 VAL 60 2HG1 VAL 60 0.687 -3.547 0.184 451 3HG1 VAL 60 3HG1 VAL 60 0.538 -4.943 -0.884 452 1HG2 VAL 60 1HG2 VAL 60 3.823 -4.778 1.790 453 2HG2 VAL 60 2HG2 VAL 60 3.152 -3.210 1.347 454 3HG2 VAL 60 3HG2 VAL 60 2.183 -4.352 2.278 455 H LYS 61 H LYS 61 4.634 -6.595 1.658 456 HA LYS 61 HA LYS 61 3.114 -7.489 3.946 457 1HB LYS 61 1HB LYS 61 4.820 -9.500 4.112 458 2HB LYS 61 2HB LYS 61 3.317 -9.658 3.214 459 1HG LYS 61 1HG LYS 61 5.634 -8.675 1.681 460 2HG LYS 61 2HG LYS 61 5.721 -10.346 2.242 461 1HD LYS 61 1HD LYS 61 3.169 -9.495 1.015 462 2HD LYS 61 2HD LYS 61 4.558 -9.627 -0.066 463 1HE LYS 61 1HE LYS 61 4.495 -11.855 -0.018 464 2HE LYS 61 2HE LYS 61 4.373 -11.885 1.740 465 1HZ LYS 61 1HZ LYS 61 1.975 -11.402 1.483 466 2HZ LYS 61 2HZ LYS 61 2.144 -11.559 -0.193 467 3HZ LYS 61 3HZ LYS 61 2.431 -12.888 0.814 468 H VAL 62 H VAL 62 5.003 -8.326 5.631 469 HA VAL 62 HA VAL 62 6.728 -5.980 5.870 470 HB VAL 62 HB VAL 62 6.123 -8.133 7.901 471 1HG1 VAL 62 1HG1 VAL 62 7.588 -5.509 8.129 472 2HG1 VAL 62 2HG1 VAL 62 7.062 -6.476 9.507 473 3HG1 VAL 62 3HG1 VAL 62 8.246 -7.127 8.374 474 1HG2 VAL 62 1HG2 VAL 62 4.170 -6.734 7.228 475 2HG2 VAL 62 2HG2 VAL 62 4.618 -6.575 8.927 476 3HG2 VAL 62 3HG2 VAL 62 5.062 -5.314 7.776 477 H GLY 63 H GLY 63 8.200 -6.753 4.191 478 1HA GLY 63 1HA GLY 63 9.936 -8.958 5.104 479 2HA GLY 63 2HA GLY 63 10.623 -7.412 4.634 480 H ASP 64 H ASP 64 9.147 -6.812 2.380 481 HA ASP 64 HA ASP 64 10.034 -8.940 0.552 482 1HB ASP 64 1HB ASP 64 8.064 -8.373 -0.900 483 2HB ASP 64 2HB ASP 64 7.645 -9.143 0.629 484 H LYS 65 H LYS 65 10.122 -8.075 -1.768 485 HA LYS 65 HA LYS 65 11.627 -5.583 -1.698 486 1HB LYS 65 1HB LYS 65 11.441 -7.884 -3.593 487 2HB LYS 65 2HB LYS 65 11.985 -6.328 -4.204 488 1HG LYS 65 1HG LYS 65 13.418 -6.788 -1.833 489 2HG LYS 65 2HG LYS 65 13.440 -8.303 -2.739 490 1HD LYS 65 1HD LYS 65 14.615 -7.401 -4.482 491 2HD LYS 65 2HD LYS 65 13.968 -5.781 -4.221 492 1HE LYS 65 1HE LYS 65 15.408 -5.430 -2.349 493 2HE LYS 65 2HE LYS 65 15.921 -7.118 -2.358 494 1HZ LYS 65 1HZ LYS 65 16.376 -5.712 -4.839 495 2HZ LYS 65 2HZ LYS 65 17.261 -5.110 -3.530 496 3HZ LYS 65 3HZ LYS 65 17.404 -6.737 -3.969 497 H ILE 66 H ILE 66 10.590 -3.742 -2.079 498 HA ILE 66 HA ILE 66 8.520 -3.732 -4.154 499 HB ILE 66 HB ILE 66 8.000 -3.462 -1.440 500 1HG1 ILE 66 1HG1 ILE 66 5.717 -2.952 -2.199 501 2HG1 ILE 66 2HG1 ILE 66 6.343 -2.608 -3.812 502 1HG2 ILE 66 1HG2 ILE 66 7.972 -0.730 -2.695 503 2HG2 ILE 66 2HG2 ILE 66 6.970 -1.163 -1.316 504 3HG2 ILE 66 3HG2 ILE 66 8.726 -1.238 -1.184 505 1HD1 ILE 66 1HD1 ILE 66 7.292 -5.155 -3.014 506 2HD1 ILE 66 2HD1 ILE 66 5.551 -5.088 -2.725 507 3HD1 ILE 66 3HD1 ILE 66 6.194 -4.746 -4.332 508 H SER 67 H SER 67 8.066 -1.602 -5.069 509 HA SER 67 HA SER 67 10.172 0.390 -4.739 510 1HB SER 67 1HB SER 67 9.738 0.244 -7.525 511 2HB SER 67 2HB SER 67 11.215 -0.143 -6.645 512 HG SER 67 HG SER 67 10.878 -2.150 -7.120 513 H GLU 68 H GLU 68 9.595 2.465 -5.389 514 HA GLU 68 HA GLU 68 7.024 3.318 -4.991 515 1HB GLU 68 1HB GLU 68 8.789 4.911 -4.961 516 2HB GLU 68 2HB GLU 68 9.264 4.526 -6.609 517 1HG GLU 68 1HG GLU 68 7.050 5.429 -7.352 518 2HG GLU 68 2HG GLU 68 6.812 6.002 -5.701 519 H GLY 69 H GLY 69 5.371 2.286 -6.036 520 1HA GLY 69 1HA GLY 69 5.181 2.764 -8.925 521 2HA GLY 69 2HA GLY 69 3.833 2.435 -7.849 522 H GLY 70 H GLY 70 4.017 0.173 -6.746 523 1HA GLY 70 1HA GLY 70 5.117 -2.062 -7.205 524 2HA GLY 70 2HA GLY 70 4.740 -1.733 -8.889 525 H LEU 71 H LEU 71 2.141 -0.514 -8.169 526 HA LEU 71 HA LEU 71 -0.024 -1.086 -7.672 527 1HB LEU 71 1HB LEU 71 0.237 -2.087 -9.859 528 2HB LEU 71 2HB LEU 71 0.931 -3.535 -9.153 529 HG LEU 71 HG LEU 71 -1.207 -4.068 -8.091 530 1HD1 LEU 71 1HD1 LEU 71 -2.121 -1.515 -9.395 531 2HD1 LEU 71 2HD1 LEU 71 -3.222 -2.746 -8.777 532 3HD1 LEU 71 3HD1 LEU 71 -2.126 -1.910 -7.675 533 1HD2 LEU 71 1HD2 LEU 71 -0.571 -4.529 -10.616 534 2HD2 LEU 71 2HD2 LEU 71 -2.145 -4.979 -9.960 535 3HD2 LEU 71 3HD2 LEU 71 -1.973 -3.499 -10.904 536 H ILE 72 H ILE 72 0.549 -1.183 -5.362 537 HA ILE 72 HA ILE 72 1.093 -3.638 -4.080 538 HB ILE 72 HB ILE 72 0.390 -0.893 -3.232 539 1HG1 ILE 72 1HG1 ILE 72 2.260 -2.610 -1.720 540 2HG1 ILE 72 2HG1 ILE 72 2.668 -2.323 -3.410 541 1HG2 ILE 72 1HG2 ILE 72 -0.399 -3.275 -1.625 542 2HG2 ILE 72 2HG2 ILE 72 0.327 -1.902 -0.785 543 3HG2 ILE 72 3HG2 ILE 72 -1.148 -1.681 -1.727 544 1HD1 ILE 72 1HD1 ILE 72 1.951 0.165 -2.350 545 2HD1 ILE 72 2HD1 ILE 72 2.987 -0.608 -1.151 546 3HD1 ILE 72 3HD1 ILE 72 3.558 -0.398 -2.805 547 H VAL 73 H VAL 73 -1.891 -1.749 -3.564 548 HA VAL 73 HA VAL 73 -3.415 -4.256 -3.838 549 HB VAL 73 HB VAL 73 -4.815 -3.671 -1.961 550 1HG1 VAL 73 1HG1 VAL 73 -2.055 -4.288 -1.762 551 2HG1 VAL 73 2HG1 VAL 73 -2.472 -3.227 -0.416 552 3HG1 VAL 73 3HG1 VAL 73 -3.362 -4.730 -0.664 553 1HG2 VAL 73 1HG2 VAL 73 -4.751 -1.235 -2.207 554 2HG2 VAL 73 2HG2 VAL 73 -4.376 -1.725 -0.555 555 3HG2 VAL 73 3HG2 VAL 73 -3.081 -1.221 -1.640 556 H VAL 74 H VAL 74 -5.536 -4.084 -4.599 557 HA VAL 74 HA VAL 74 -6.117 -1.569 -6.015 558 HB VAL 74 HB VAL 74 -7.304 -4.328 -6.416 559 1HG1 VAL 74 1HG1 VAL 74 -8.664 -2.177 -6.990 560 2HG1 VAL 74 2HG1 VAL 74 -7.565 -2.081 -8.366 561 3HG1 VAL 74 3HG1 VAL 74 -8.584 -3.503 -8.148 562 1HG2 VAL 74 1HG2 VAL 74 -5.134 -2.827 -7.848 563 2HG2 VAL 74 2HG2 VAL 74 -5.092 -4.458 -7.180 564 3HG2 VAL 74 3HG2 VAL 74 -6.042 -4.122 -8.627 565 H VAL 75 H VAL 75 -8.055 -0.490 -5.719 566 HA VAL 75 HA VAL 75 -9.788 -1.530 -3.577 567 HB VAL 75 HB VAL 75 -9.393 1.414 -3.956 568 1HG1 VAL 75 1HG1 VAL 75 -10.825 -0.312 -2.157 569 2HG1 VAL 75 2HG1 VAL 75 -9.706 0.718 -1.266 570 3HG1 VAL 75 3HG1 VAL 75 -10.911 1.439 -2.334 571 1HG2 VAL 75 1HG2 VAL 75 -7.390 -0.459 -3.038 572 2HG2 VAL 75 2HG2 VAL 75 -7.257 1.274 -3.338 573 3HG2 VAL 75 3HG2 VAL 75 -7.826 0.692 -1.773 574 H GLU 76 H GLU 76 -11.974 -0.911 -3.611 575 HA GLU 76 HA GLU 76 -12.972 -0.304 -6.304 576 1HB GLU 76 1HB GLU 76 -13.757 -2.415 -5.375 577 2HB GLU 76 2HB GLU 76 -14.322 -1.601 -3.921 578 1HG GLU 76 1HG GLU 76 -16.256 -1.058 -4.866 579 2HG GLU 76 2HG GLU 76 -15.468 -0.456 -6.323 580 H ALA 77 H ALA 77 -12.000 1.849 -4.960 581 HA ALA 77 HA ALA 77 -13.396 3.293 -3.220 582 1HB ALA 77 1HB ALA 77 -11.379 4.122 -4.182 583 2HB ALA 77 2HB ALA 77 -12.159 4.319 -5.751 584 3HB ALA 77 3HB ALA 77 -12.646 5.329 -4.390 585 H GLU 78 H GLU 78 -15.008 4.902 -3.247 586 HA GLU 78 HA GLU 78 -17.165 5.533 -3.610 587 1HB GLU 78 1HB GLU 78 -15.570 6.310 -5.734 588 2HB GLU 78 2HB GLU 78 -16.974 5.592 -6.517 589 1HG GLU 78 1HG GLU 78 -17.309 7.596 -4.327 590 2HG GLU 78 2HG GLU 78 -16.973 8.112 -5.979 591 H GLY 79 H GLY 79 -17.043 2.841 -3.261 592 1HA GLY 79 1HA GLY 79 -18.107 0.850 -3.695 593 2HA GLY 79 2HA GLY 79 -18.265 1.362 -5.369 594 H THR 80 H THR 80 -20.262 1.701 -6.080 595 HA THR 80 HA THR 80 -22.265 3.076 -4.671 596 HB THR 80 HB THR 80 -23.796 2.199 -6.441 597 HG1 THR 80 HG1 THR 80 -23.202 0.364 -7.252 598 1HG2 THR 80 1HG2 THR 80 -21.698 3.976 -6.771 599 2HG2 THR 80 2HG2 THR 80 -21.596 2.899 -8.165 600 3HG2 THR 80 3HG2 THR 80 -23.092 3.769 -7.831 601 H ALA 81 H ALA 81 -24.265 2.308 -3.817 602 HA ALA 81 HA ALA 81 -25.507 1.007 -2.422 603 1HB ALA 81 1HB ALA 81 -25.115 -0.440 -4.721 604 2HB ALA 81 2HB ALA 81 -24.632 -1.574 -3.460 605 3HB ALA 81 3HB ALA 81 -26.241 -0.850 -3.427 No H/Q in entry = 605 Start of MODEL 14 1 H1 ALA 1 H1 ALA 1 -14.745 4.752 -9.210 2 H2 ALA 1 H2 ALA 1 -13.894 5.284 -10.600 3 H3 ALA 1 H3 ALA 1 -15.511 4.727 -10.746 4 HA ALA 1 HA ALA 1 -14.962 2.572 -10.446 5 1HB ALA 1 1HB ALA 1 -13.953 2.383 -12.411 6 2HB ALA 1 2HB ALA 1 -12.413 2.865 -11.699 7 3HB ALA 1 3HB ALA 1 -13.514 4.089 -12.331 8 H LEU 2 H LEU 2 -12.670 1.165 -10.371 9 HA LEU 2 HA LEU 2 -11.948 1.334 -7.596 10 1HB LEU 2 1HB LEU 2 -10.461 -0.461 -9.433 11 2HB LEU 2 2HB LEU 2 -11.090 -0.773 -7.827 12 HG LEU 2 HG LEU 2 -12.622 -0.787 -10.423 13 1HD1 LEU 2 1HD1 LEU 2 -11.316 -2.784 -8.832 14 2HD1 LEU 2 2HD1 LEU 2 -13.051 -3.096 -8.895 15 3HD1 LEU 2 3HD1 LEU 2 -12.127 -2.948 -10.390 16 1HD2 LEU 2 1HD2 LEU 2 -13.759 0.245 -8.294 17 2HD2 LEU 2 2HD2 LEU 2 -14.626 -0.904 -9.310 18 3HD2 LEU 2 3HD2 LEU 2 -13.887 -1.444 -7.805 19 H VAL 3 H VAL 3 -9.550 1.005 -7.034 20 HA VAL 3 HA VAL 3 -7.881 2.816 -8.645 21 HB VAL 3 HB VAL 3 -8.427 2.887 -5.695 22 1HG1 VAL 3 1HG1 VAL 3 -5.998 2.656 -5.839 23 2HG1 VAL 3 2HG1 VAL 3 -5.935 4.009 -6.972 24 3HG1 VAL 3 3HG1 VAL 3 -6.458 4.276 -5.309 25 1HG2 VAL 3 1HG2 VAL 3 -8.393 4.846 -7.951 26 2HG2 VAL 3 2HG2 VAL 3 -9.687 4.474 -6.813 27 3HG2 VAL 3 3HG2 VAL 3 -8.282 5.395 -6.279 28 H GLU 4 H GLU 4 -5.545 2.552 -8.225 29 HA GLU 4 HA GLU 4 -4.865 -0.192 -7.402 30 1HB GLU 4 1HB GLU 4 -3.753 1.389 -9.727 31 2HB GLU 4 2HB GLU 4 -3.079 -0.130 -9.154 32 1HG GLU 4 1HG GLU 4 -5.184 -1.258 -9.665 33 2HG GLU 4 2HG GLU 4 -5.857 0.266 -10.241 34 H LEU 5 H LEU 5 -4.221 0.472 -5.343 35 HA LEU 5 HA LEU 5 -2.668 2.640 -4.658 36 1HB LEU 5 1HB LEU 5 -3.493 0.204 -3.423 37 2HB LEU 5 2HB LEU 5 -1.794 0.452 -3.067 38 HG LEU 5 HG LEU 5 -3.117 1.404 -1.296 39 1HD1 LEU 5 1HD1 LEU 5 -1.889 3.483 -3.096 40 2HD1 LEU 5 2HD1 LEU 5 -2.387 3.781 -1.431 41 3HD1 LEU 5 3HD1 LEU 5 -1.112 2.611 -1.774 42 1HD2 LEU 5 1HD2 LEU 5 -4.502 2.926 -3.496 43 2HD2 LEU 5 2HD2 LEU 5 -5.212 1.753 -2.388 44 3HD2 LEU 5 3HD2 LEU 5 -4.653 3.313 -1.782 45 H LYS 6 H LYS 6 -0.439 2.941 -4.268 46 HA LYS 6 HA LYS 6 1.383 1.025 -5.521 47 1HB LYS 6 1HB LYS 6 1.205 3.959 -6.211 48 2HB LYS 6 2HB LYS 6 2.573 2.940 -6.635 49 1HG LYS 6 1HG LYS 6 0.357 1.543 -7.555 50 2HG LYS 6 2HG LYS 6 0.017 3.232 -7.939 51 1HD LYS 6 1HD LYS 6 2.124 3.431 -9.107 52 2HD LYS 6 2HD LYS 6 2.577 1.792 -8.634 53 1HE LYS 6 1HE LYS 6 -0.004 1.989 -10.010 54 2HE LYS 6 2HE LYS 6 1.380 2.473 -10.989 55 1HZ LYS 6 1HZ LYS 6 1.296 -0.080 -9.488 56 2HZ LYS 6 2HZ LYS 6 0.760 0.058 -11.085 57 3HZ LYS 6 3HZ LYS 6 2.378 0.373 -10.708 58 H VAL 7 H VAL 7 3.516 1.139 -4.809 59 HA VAL 7 HA VAL 7 3.984 1.561 -2.143 60 HB VAL 7 HB VAL 7 5.977 1.761 -4.402 61 1HG1 VAL 7 1HG1 VAL 7 6.718 2.687 -2.157 62 2HG1 VAL 7 2HG1 VAL 7 6.591 1.035 -1.553 63 3HG1 VAL 7 3HG1 VAL 7 7.718 1.413 -2.854 64 1HG2 VAL 7 1HG2 VAL 7 4.634 -0.338 -4.271 65 2HG2 VAL 7 2HG2 VAL 7 6.371 -0.571 -4.087 66 3HG2 VAL 7 3HG2 VAL 7 5.321 -0.612 -2.672 67 HA PRO 8 HA PRO 8 4.196 5.968 -1.702 68 1HB PRO 8 1HB PRO 8 5.465 6.131 0.675 69 2HB PRO 8 2HB PRO 8 3.782 5.605 0.531 70 1HG PRO 8 1HG PRO 8 6.262 3.952 0.856 71 2HG PRO 8 2HG PRO 8 4.683 3.767 1.642 72 1HD PRO 8 1HD PRO 8 5.464 2.266 -0.486 73 2HD PRO 8 2HD PRO 8 3.768 2.680 -0.169 74 H ASP 9 H ASP 9 6.071 7.480 -0.560 75 HA ASP 9 HA ASP 9 8.331 7.214 -2.389 76 1HB ASP 9 1HB ASP 9 6.862 9.404 -1.159 77 2HB ASP 9 2HB ASP 9 8.605 9.606 -1.005 78 H ILE 10 H ILE 10 9.292 5.465 -1.130 79 HA ILE 10 HA ILE 10 10.246 6.071 1.529 80 HB ILE 10 HB ILE 10 11.572 3.855 1.116 81 1HG1 ILE 10 1HG1 ILE 10 10.594 2.357 -0.497 82 2HG1 ILE 10 2HG1 ILE 10 9.368 3.542 -0.931 83 1HG2 ILE 10 1HG2 ILE 10 9.489 4.360 2.542 84 2HG2 ILE 10 2HG2 ILE 10 8.598 3.554 1.249 85 3HG2 ILE 10 3HG2 ILE 10 9.852 2.685 2.132 86 1HD1 ILE 10 1HD1 ILE 10 12.320 3.883 -1.397 87 2HD1 ILE 10 2HD1 ILE 10 11.161 3.322 -2.602 88 3HD1 ILE 10 3HD1 ILE 10 11.029 4.953 -1.944 89 H GLY 11 H GLY 11 11.253 8.053 0.232 90 1HA GLY 11 1HA GLY 11 14.102 7.368 -0.063 91 2HA GLY 11 2HA GLY 11 13.481 8.940 0.418 92 H GLY 12 H GLY 12 13.995 6.752 -2.271 93 1HA GLY 12 1HA GLY 12 14.434 8.924 -4.067 94 2HA GLY 12 2HA GLY 12 12.879 8.161 -4.364 95 H HIS 13 H HIS 13 13.660 5.497 -3.718 96 HA HIS 13 HA HIS 13 15.036 4.846 -6.189 97 1HB HIS 13 1HB HIS 13 16.440 3.136 -4.779 98 2HB HIS 13 2HB HIS 13 16.988 4.800 -4.948 99 HD1 HIS 13 HD1 HIS 13 16.396 6.397 -2.847 100 HD2 HIS 13 HD2 HIS 13 16.111 2.302 -2.207 101 HE1 HIS 13 HE1 HIS 13 16.407 6.106 -0.351 102 HE2 HIS 13 HE2 HIS 13 16.331 3.614 0.011 103 H GLU 14 H GLU 14 15.254 2.266 -6.201 104 HA GLU 14 HA GLU 14 12.588 1.258 -5.455 105 1HB GLU 14 1HB GLU 14 14.358 0.066 -7.574 106 2HB GLU 14 2HB GLU 14 12.627 -0.144 -7.350 107 1HG GLU 14 1HG GLU 14 12.181 1.572 -8.671 108 2HG GLU 14 2HG GLU 14 13.251 2.629 -7.751 109 H ASN 15 H ASN 15 12.906 -1.378 -5.776 110 HA ASN 15 HA ASN 15 13.368 -3.209 -4.498 111 1HB ASN 15 1HB ASN 15 15.704 -3.876 -4.504 112 2HB ASN 15 2HB ASN 15 15.287 -3.151 -6.052 113 1HD2 ASN 15 2HD2 ASN 15 16.026 -1.037 -6.512 114 2HD2 ASN 15 1HD2 ASN 15 17.411 -0.390 -5.708 115 H VAL 16 H VAL 16 12.323 -2.023 -2.666 116 HA VAL 16 HA VAL 16 14.259 -1.676 -0.470 117 HB VAL 16 HB VAL 16 12.769 -0.072 0.581 118 1HG1 VAL 16 1HG1 VAL 16 14.050 0.353 -1.971 119 2HG1 VAL 16 2HG1 VAL 16 12.711 1.475 -1.725 120 3HG1 VAL 16 3HG1 VAL 16 14.015 1.385 -0.541 121 1HG2 VAL 16 1HG2 VAL 16 10.843 -1.169 -1.175 122 2HG2 VAL 16 2HG2 VAL 16 10.608 0.040 0.088 123 3HG2 VAL 16 3HG2 VAL 16 10.989 0.547 -1.558 124 H ASP 17 H ASP 17 12.580 -1.644 1.679 125 HA ASP 17 HA ASP 17 11.092 -4.175 1.467 126 1HB ASP 17 1HB ASP 17 13.478 -3.807 2.863 127 2HB ASP 17 2HB ASP 17 12.228 -3.755 4.104 128 H ILE 18 H ILE 18 9.049 -4.036 2.115 129 HA ILE 18 HA ILE 18 7.904 -1.678 3.114 130 HB ILE 18 HB ILE 18 6.892 -4.522 3.017 131 1HG1 ILE 18 1HG1 ILE 18 5.686 -2.285 1.488 132 2HG1 ILE 18 2HG1 ILE 18 7.289 -2.820 0.991 133 1HG2 ILE 18 1HG2 ILE 18 5.401 -2.048 3.880 134 2HG2 ILE 18 2HG2 ILE 18 4.640 -3.585 3.469 135 3HG2 ILE 18 3HG2 ILE 18 5.732 -3.485 4.848 136 1HD1 ILE 18 1HD1 ILE 18 5.490 -5.043 1.410 137 2HD1 ILE 18 2HD1 ILE 18 4.875 -3.903 0.214 138 3HD1 ILE 18 3HD1 ILE 18 6.470 -4.628 0.005 139 H ILE 19 H ILE 19 6.703 -1.513 5.223 140 HA ILE 19 HA ILE 19 8.169 -2.960 7.334 141 HB ILE 19 HB ILE 19 9.002 -1.147 8.309 142 1HG1 ILE 19 1HG1 ILE 19 6.441 0.417 7.949 143 2HG1 ILE 19 2HG1 ILE 19 6.754 -0.657 9.304 144 1HG2 ILE 19 1HG2 ILE 19 8.983 -0.539 5.724 145 2HG2 ILE 19 2HG2 ILE 19 8.024 0.815 6.321 146 3HG2 ILE 19 3HG2 ILE 19 9.645 0.537 6.949 147 1HD1 ILE 19 1HD1 ILE 19 8.733 0.743 9.854 148 2HD1 ILE 19 2HD1 ILE 19 8.205 1.874 8.608 149 3HD1 ILE 19 3HD1 ILE 19 7.178 1.562 10.007 150 H ALA 20 H ALA 20 5.145 -2.108 6.099 151 HA ALA 20 HA ALA 20 3.867 -3.323 8.408 152 1HB ALA 20 1HB ALA 20 3.988 -0.746 8.637 153 2HB ALA 20 2HB ALA 20 2.707 -0.751 7.423 154 3HB ALA 20 3HB ALA 20 2.463 -1.572 8.966 155 H VAL 21 H VAL 21 1.718 -4.064 7.992 156 HA VAL 21 HA VAL 21 0.765 -3.920 5.244 157 HB VAL 21 HB VAL 21 2.223 -5.895 5.262 158 1HG1 VAL 21 1HG1 VAL 21 1.323 -6.252 7.838 159 2HG1 VAL 21 2HG1 VAL 21 0.516 -7.544 6.948 160 3HG1 VAL 21 3HG1 VAL 21 2.274 -7.406 6.904 161 1HG2 VAL 21 1HG2 VAL 21 0.128 -5.815 3.902 162 2HG2 VAL 21 2HG2 VAL 21 0.676 -7.445 4.299 163 3HG2 VAL 21 3HG2 VAL 21 -0.673 -6.727 5.182 164 H GLU 22 H GLU 22 -1.290 -3.335 5.407 165 HA GLU 22 HA GLU 22 -2.902 -4.470 7.598 166 1HB GLU 22 1HB GLU 22 -3.252 -1.775 6.275 167 2HB GLU 22 2HB GLU 22 -4.228 -2.419 7.590 168 1HG GLU 22 1HG GLU 22 -1.452 -2.480 8.303 169 2HG GLU 22 2HG GLU 22 -1.912 -0.863 7.773 170 H VAL 23 H VAL 23 -2.738 -3.678 4.197 171 HA VAL 23 HA VAL 23 -5.432 -4.156 3.531 172 HB VAL 23 HB VAL 23 -4.534 -4.598 1.214 173 1HG1 VAL 23 1HG1 VAL 23 -4.513 -2.187 2.770 174 2HG1 VAL 23 2HG1 VAL 23 -3.250 -2.126 1.541 175 3HG1 VAL 23 3HG1 VAL 23 -4.924 -2.416 1.070 176 1HG2 VAL 23 1HG2 VAL 23 -2.155 -5.057 2.609 177 2HG2 VAL 23 2HG2 VAL 23 -2.375 -4.998 0.860 178 3HG2 VAL 23 3HG2 VAL 23 -1.907 -3.543 1.740 179 H ASN 24 H ASN 24 -6.569 -5.969 3.308 180 HA ASN 24 HA ASN 24 -5.173 -8.519 2.940 181 1HB ASN 24 1HB ASN 24 -7.043 -7.801 5.172 182 2HB ASN 24 2HB ASN 24 -6.902 -9.468 4.625 183 1HD2 ASN 24 2HD2 ASN 24 -5.714 -10.540 6.026 184 2HD2 ASN 24 1HD2 ASN 24 -4.224 -10.003 6.720 185 H VAL 25 H VAL 25 -7.172 -6.542 1.543 186 HA VAL 25 HA VAL 25 -8.820 -6.717 -0.011 187 HB VAL 25 HB VAL 25 -8.243 -9.671 0.216 188 1HG1 VAL 25 1HG1 VAL 25 -10.465 -9.193 -0.750 189 2HG1 VAL 25 2HG1 VAL 25 -9.692 -8.187 -1.974 190 3HG1 VAL 25 3HG1 VAL 25 -9.360 -9.917 -1.918 191 1HG2 VAL 25 1HG2 VAL 25 -6.397 -8.040 -0.508 192 2HG2 VAL 25 2HG2 VAL 25 -6.721 -9.438 -1.534 193 3HG2 VAL 25 3HG2 VAL 25 -7.341 -7.849 -1.985 194 H GLY 26 H GLY 26 -10.849 -6.259 0.515 195 1HA GLY 26 1HA GLY 26 -12.356 -8.207 2.129 196 2HA GLY 26 2HA GLY 26 -13.067 -7.041 1.023 197 H ASP 27 H ASP 27 -10.843 -5.212 2.438 198 HA ASP 27 HA ASP 27 -12.404 -4.665 4.861 199 1HB ASP 27 1HB ASP 27 -9.664 -3.636 4.095 200 2HB ASP 27 2HB ASP 27 -10.465 -3.414 5.647 201 H THR 28 H THR 28 -13.133 -2.579 5.343 202 HA THR 28 HA THR 28 -13.822 -1.005 3.023 203 HB THR 28 HB THR 28 -14.425 -0.408 5.923 204 HG1 THR 28 HG1 THR 28 -16.072 -1.753 5.805 205 1HG2 THR 28 1HG2 THR 28 -15.152 0.875 3.448 206 2HG2 THR 28 2HG2 THR 28 -16.572 0.317 4.332 207 3HG2 THR 28 3HG2 THR 28 -15.415 1.395 5.112 208 H ILE 29 H ILE 29 -12.272 0.262 2.217 209 HA ILE 29 HA ILE 29 -10.422 1.642 4.002 210 HB ILE 29 HB ILE 29 -9.320 2.365 1.867 211 1HG1 ILE 29 1HG1 ILE 29 -10.479 0.334 0.197 212 2HG1 ILE 29 2HG1 ILE 29 -11.744 1.420 0.759 213 1HG2 ILE 29 1HG2 ILE 29 -9.107 0.040 3.251 214 2HG2 ILE 29 2HG2 ILE 29 -9.399 -0.556 1.617 215 3HG2 ILE 29 3HG2 ILE 29 -8.040 0.522 1.932 216 1HD1 ILE 29 1HD1 ILE 29 -10.096 3.284 0.012 217 2HD1 ILE 29 2HD1 ILE 29 -9.382 1.996 -0.957 218 3HD1 ILE 29 3HD1 ILE 29 -11.075 2.435 -1.183 219 H ALA 30 H ALA 30 -10.013 3.908 3.819 220 HA ALA 30 HA ALA 30 -12.288 5.462 2.771 221 1HB ALA 30 1HB ALA 30 -10.739 6.272 5.213 222 2HB ALA 30 2HB ALA 30 -12.311 6.850 4.659 223 3HB ALA 30 3HB ALA 30 -12.151 5.220 5.312 224 H VAL 31 H VAL 31 -11.505 7.962 2.931 225 HA VAL 31 HA VAL 31 -9.217 8.074 1.132 226 HB VAL 31 HB VAL 31 -10.969 10.372 1.995 227 1HG1 VAL 31 1HG1 VAL 31 -8.736 10.034 0.148 228 2HG1 VAL 31 2HG1 VAL 31 -10.145 10.803 -0.585 229 3HG1 VAL 31 3HG1 VAL 31 -9.410 11.502 0.859 230 1HG2 VAL 31 1HG2 VAL 31 -12.164 8.348 0.945 231 2HG2 VAL 31 2HG2 VAL 31 -12.457 9.943 0.253 232 3HG2 VAL 31 3HG2 VAL 31 -11.350 8.825 -0.545 233 H ASP 32 H ASP 32 -8.441 7.403 3.686 234 HA ASP 32 HA ASP 32 -6.298 8.949 4.253 235 1HB ASP 32 1HB ASP 32 -7.160 10.226 6.336 236 2HB ASP 32 2HB ASP 32 -7.471 10.919 4.748 237 H ASP 33 H ASP 33 -6.118 6.526 4.503 238 HA ASP 33 HA ASP 33 -6.132 5.914 7.350 239 1HB ASP 33 1HB ASP 33 -7.098 3.604 6.801 240 2HB ASP 33 2HB ASP 33 -8.226 4.957 6.835 241 H THR 34 H THR 34 -4.168 5.201 7.826 242 HA THR 34 HA THR 34 -2.206 4.593 5.958 243 HB THR 34 HB THR 34 -1.272 3.286 8.089 244 HG1 THR 34 HG1 THR 34 -2.086 4.179 9.947 245 1HG2 THR 34 1HG2 THR 34 -0.303 5.295 7.015 246 2HG2 THR 34 2HG2 THR 34 -1.389 6.280 7.998 247 3HG2 THR 34 3HG2 THR 34 -0.166 5.274 8.774 248 H LEU 35 H LEU 35 -2.106 3.001 4.595 249 HA LEU 35 HA LEU 35 -3.435 0.472 5.142 250 1HB LEU 35 1HB LEU 35 -2.007 1.542 2.705 251 2HB LEU 35 2HB LEU 35 -2.685 -0.073 2.798 252 HG LEU 35 HG LEU 35 -4.259 2.494 3.029 253 1HD1 LEU 35 1HD1 LEU 35 -3.769 0.594 0.765 254 2HD1 LEU 35 2HD1 LEU 35 -5.229 1.580 0.839 255 3HD1 LEU 35 3HD1 LEU 35 -3.645 2.353 0.787 256 1HD2 LEU 35 1HD2 LEU 35 -5.205 0.626 4.322 257 2HD2 LEU 35 2HD2 LEU 35 -6.220 1.074 2.950 258 3HD2 LEU 35 3HD2 LEU 35 -5.204 -0.365 2.863 259 H ILE 36 H ILE 36 -0.213 1.760 4.494 260 HA ILE 36 HA ILE 36 0.959 -0.384 6.046 261 HB ILE 36 HB ILE 36 2.670 -0.926 4.302 262 1HG1 ILE 36 1HG1 ILE 36 2.281 -0.503 1.991 263 2HG1 ILE 36 2HG1 ILE 36 0.700 0.201 2.307 264 1HG2 ILE 36 1HG2 ILE 36 0.337 -2.094 4.837 265 2HG2 ILE 36 2HG2 ILE 36 0.117 -1.778 3.117 266 3HG2 ILE 36 3HG2 ILE 36 1.496 -2.730 3.672 267 1HD1 ILE 36 1HD1 ILE 36 3.236 1.445 3.316 268 2HD1 ILE 36 2HD1 ILE 36 2.597 1.772 1.705 269 3HD1 ILE 36 3HD1 ILE 36 1.643 2.182 3.132 270 H THR 37 H THR 37 3.505 -0.093 5.784 271 HA THR 37 HA THR 37 4.249 2.709 5.637 272 HB THR 37 HB THR 37 4.631 1.004 8.109 273 HG1 THR 37 HG1 THR 37 3.336 2.448 9.069 274 1HG2 THR 37 1HG2 THR 37 6.665 2.349 7.525 275 2HG2 THR 37 2HG2 THR 37 5.669 3.792 7.709 276 3HG2 THR 37 3HG2 THR 37 5.931 2.720 9.085 277 H LEU 38 H LEU 38 6.021 2.785 4.411 278 HA LEU 38 HA LEU 38 7.706 0.377 4.304 279 1HB LEU 38 1HB LEU 38 7.013 2.440 2.239 280 2HB LEU 38 2HB LEU 38 8.407 1.392 2.050 281 HG LEU 38 HG LEU 38 6.512 -0.457 2.559 282 1HD1 LEU 38 1HD1 LEU 38 5.057 1.924 2.093 283 2HD1 LEU 38 2HD1 LEU 38 4.823 0.866 0.702 284 3HD1 LEU 38 3HD1 LEU 38 4.444 0.287 2.325 285 1HD2 LEU 38 1HD2 LEU 38 7.657 0.731 0.106 286 2HD2 LEU 38 2HD2 LEU 38 7.724 -0.927 0.705 287 3HD2 LEU 38 3HD2 LEU 38 6.268 -0.337 -0.098 288 H GLU 39 H GLU 39 9.996 0.790 3.661 289 HA GLU 39 HA GLU 39 11.193 3.309 4.189 290 1HB GLU 39 1HB GLU 39 10.679 2.804 6.490 291 2HB GLU 39 2HB GLU 39 11.368 1.194 6.336 292 1HG GLU 39 1HG GLU 39 13.579 2.161 6.005 293 2HG GLU 39 2HG GLU 39 12.895 3.780 6.131 294 H THR 40 H THR 40 13.570 3.185 4.130 295 HA THR 40 HA THR 40 14.488 0.774 2.707 296 HB THR 40 HB THR 40 15.717 2.079 1.206 297 HG1 THR 40 HG1 THR 40 16.790 3.563 2.295 298 1HG2 THR 40 1HG2 THR 40 13.211 2.361 0.952 299 2HG2 THR 40 2HG2 THR 40 13.429 3.951 1.682 300 3HG2 THR 40 3HG2 THR 40 14.238 3.559 0.164 301 H ASP 41 H ASP 41 15.753 3.627 4.396 302 HA ASP 41 HA ASP 41 17.082 2.235 6.418 303 1HB ASP 41 1HB ASP 41 18.467 2.205 3.894 304 2HB ASP 41 2HB ASP 41 19.399 3.120 5.074 305 H LYS 42 H LYS 42 17.060 5.038 4.296 306 HA LYS 42 HA LYS 42 17.847 6.714 6.586 307 1HB LYS 42 1HB LYS 42 18.754 8.307 5.077 308 2HB LYS 42 2HB LYS 42 19.341 6.735 4.555 309 1HG LYS 42 1HG LYS 42 18.742 7.632 2.550 310 2HG LYS 42 2HG LYS 42 17.234 6.828 2.989 311 1HD LYS 42 1HD LYS 42 16.278 8.820 2.618 312 2HD LYS 42 2HD LYS 42 16.957 9.276 4.182 313 1HE LYS 42 1HE LYS 42 18.823 9.527 1.939 314 2HE LYS 42 2HE LYS 42 17.411 10.576 1.821 315 1HZ LYS 42 1HZ LYS 42 18.286 10.756 4.435 316 2HZ LYS 42 2HZ LYS 42 19.685 10.833 3.488 317 3HZ LYS 42 3HZ LYS 42 18.427 11.932 3.227 318 H ALA 43 H ALA 43 15.251 5.886 4.568 319 HA ALA 43 HA ALA 43 13.710 8.131 5.633 320 1HB ALA 43 1HB ALA 43 14.242 7.598 2.771 321 2HB ALA 43 2HB ALA 43 13.952 9.123 3.609 322 3HB ALA 43 3HB ALA 43 12.599 8.066 3.209 323 H THR 44 H THR 44 11.659 7.632 6.189 324 HA THR 44 HA THR 44 10.686 4.933 5.511 325 HB THR 44 HB THR 44 9.874 4.615 7.676 326 HG1 THR 44 HG1 THR 44 9.650 6.343 9.158 327 1HG2 THR 44 1HG2 THR 44 12.513 5.133 7.477 328 2HG2 THR 44 2HG2 THR 44 12.039 6.300 8.710 329 3HG2 THR 44 3HG2 THR 44 11.713 4.583 8.950 330 H MET 45 H MET 45 8.763 4.850 4.520 331 HA MET 45 HA MET 45 7.069 7.260 4.619 332 1HB MET 45 1HB MET 45 8.208 5.898 2.376 333 2HB MET 45 2HB MET 45 6.458 5.767 2.290 334 1HG MET 45 1HG MET 45 8.118 8.268 2.399 335 2HG MET 45 2HG MET 45 7.089 7.705 1.084 336 1HE MET 45 1HE MET 45 6.300 10.269 1.123 337 2HE MET 45 2HE MET 45 5.024 9.150 0.642 338 3HE MET 45 3HE MET 45 4.666 10.470 1.755 339 H ASP 46 H ASP 46 4.877 6.303 3.286 340 HA ASP 46 HA ASP 46 3.857 3.835 4.101 341 1HB ASP 46 1HB ASP 46 2.261 4.670 5.880 342 2HB ASP 46 2HB ASP 46 3.949 4.566 6.374 343 H VAL 47 H VAL 47 1.331 3.892 4.009 344 HA VAL 47 HA VAL 47 0.521 5.927 2.036 345 HB VAL 47 HB VAL 47 -0.195 2.993 1.975 346 1HG1 VAL 47 1HG1 VAL 47 -1.643 5.202 1.009 347 2HG1 VAL 47 2HG1 VAL 47 -0.887 4.451 -0.397 348 3HG1 VAL 47 3HG1 VAL 47 -1.920 3.495 0.665 349 1HG2 VAL 47 1HG2 VAL 47 2.135 3.823 1.207 350 2HG2 VAL 47 2HG2 VAL 47 1.215 2.754 0.148 351 3HG2 VAL 47 3HG2 VAL 47 1.259 4.487 -0.174 352 HA PRO 48 HA PRO 48 -2.828 6.174 5.055 353 1HB PRO 48 1HB PRO 48 -3.454 8.720 4.667 354 2HB PRO 48 2HB PRO 48 -1.917 8.289 5.429 355 1HG PRO 48 1HG PRO 48 -2.463 9.171 2.630 356 2HG PRO 48 2HG PRO 48 -1.096 9.569 3.685 357 1HD PRO 48 1HD PRO 48 -1.123 7.597 1.687 358 2HD PRO 48 2HD PRO 48 0.082 7.757 2.978 359 H ALA 49 H ALA 49 -3.142 5.171 2.228 360 HA ALA 49 HA ALA 49 -4.797 4.746 0.722 361 1HB ALA 49 1HB ALA 49 -7.158 5.466 2.012 362 2HB ALA 49 2HB ALA 49 -6.059 4.989 3.306 363 3HB ALA 49 3HB ALA 49 -6.405 3.872 1.985 364 H GLU 50 H GLU 50 -6.584 5.725 -0.572 365 HA GLU 50 HA GLU 50 -7.027 8.548 -0.369 366 1HB GLU 50 1HB GLU 50 -4.764 8.456 -1.396 367 2HB GLU 50 2HB GLU 50 -5.443 7.537 -2.732 368 1HG GLU 50 1HG GLU 50 -6.668 9.360 -3.519 369 2HG GLU 50 2HG GLU 50 -6.505 10.239 -1.999 370 H VAL 51 H VAL 51 -8.811 6.517 -0.302 371 HA VAL 51 HA VAL 51 -10.624 7.221 -2.346 372 HB VAL 51 HB VAL 51 -10.764 4.690 -3.145 373 1HG1 VAL 51 1HG1 VAL 51 -10.183 7.006 -4.331 374 2HG1 VAL 51 2HG1 VAL 51 -8.620 6.209 -4.508 375 3HG1 VAL 51 3HG1 VAL 51 -10.071 5.458 -5.167 376 1HG2 VAL 51 1HG2 VAL 51 -7.898 5.061 -2.309 377 2HG2 VAL 51 2HG2 VAL 51 -8.981 3.711 -1.972 378 3HG2 VAL 51 3HG2 VAL 51 -8.356 3.953 -3.601 379 H ALA 52 H ALA 52 -12.684 5.996 -2.170 380 HA ALA 52 HA ALA 52 -12.983 4.835 0.529 381 1HB ALA 52 1HB ALA 52 -14.900 6.567 -1.005 382 2HB ALA 52 2HB ALA 52 -15.252 5.783 0.536 383 3HB ALA 52 3HB ALA 52 -13.991 7.013 0.441 384 H GLY 53 H GLY 53 -12.778 2.687 -0.278 385 1HA GLY 53 1HA GLY 53 -14.018 1.479 -2.371 386 2HA GLY 53 2HA GLY 53 -15.300 1.630 -1.187 387 H VAL 54 H VAL 54 -13.740 -0.688 -2.380 388 HA VAL 54 HA VAL 54 -12.826 -1.918 0.136 389 HB VAL 54 HB VAL 54 -14.578 -3.214 -1.959 390 1HG1 VAL 54 1HG1 VAL 54 -12.855 -4.318 0.100 391 2HG1 VAL 54 2HG1 VAL 54 -14.533 -4.823 0.297 392 3HG1 VAL 54 3HG1 VAL 54 -13.694 -5.127 -1.223 393 1HG2 VAL 54 1HG2 VAL 54 -15.306 -1.553 0.145 394 2HG2 VAL 54 2HG2 VAL 54 -16.358 -2.653 -0.745 395 3HG2 VAL 54 3HG2 VAL 54 -15.592 -3.183 0.753 396 H VAL 55 H VAL 55 -11.063 -3.271 -0.019 397 HA VAL 55 HA VAL 55 -9.499 -3.070 -2.416 398 HB VAL 55 HB VAL 55 -8.923 -4.715 0.046 399 1HG1 VAL 55 1HG1 VAL 55 -7.729 -5.341 -2.090 400 2HG1 VAL 55 2HG1 VAL 55 -7.002 -3.733 -2.062 401 3HG1 VAL 55 3HG1 VAL 55 -6.681 -4.867 -0.750 402 1HG2 VAL 55 1HG2 VAL 55 -9.192 -2.141 0.242 403 2HG2 VAL 55 2HG2 VAL 55 -7.770 -2.913 0.946 404 3HG2 VAL 55 3HG2 VAL 55 -7.646 -2.087 -0.607 405 H LYS 56 H LYS 56 -9.027 -4.572 -3.893 406 HA LYS 56 HA LYS 56 -10.574 -7.073 -3.795 407 1HB LYS 56 1HB LYS 56 -9.356 -6.540 -6.364 408 2HB LYS 56 2HB LYS 56 -11.048 -6.813 -5.972 409 1HG LYS 56 1HG LYS 56 -10.477 -4.184 -5.148 410 2HG LYS 56 2HG LYS 56 -9.720 -4.393 -6.724 411 1HD LYS 56 1HD LYS 56 -11.693 -4.426 -7.773 412 2HD LYS 56 2HD LYS 56 -12.385 -5.546 -6.598 413 1HE LYS 56 1HE LYS 56 -11.957 -2.742 -5.731 414 2HE LYS 56 2HE LYS 56 -13.257 -3.045 -6.882 415 1HZ LYS 56 1HZ LYS 56 -13.392 -4.979 -4.860 416 2HZ LYS 56 2HZ LYS 56 -13.267 -3.463 -4.120 417 3HZ LYS 56 3HZ LYS 56 -14.512 -3.763 -5.226 418 H GLU 57 H GLU 57 -7.489 -5.668 -4.780 419 HA GLU 57 HA GLU 57 -6.295 -8.311 -4.501 420 1HB GLU 57 1HB GLU 57 -5.744 -6.035 -6.324 421 2HB GLU 57 2HB GLU 57 -4.379 -7.026 -5.829 422 1HG GLU 57 1HG GLU 57 -5.725 -9.024 -6.595 423 2HG GLU 57 2HG GLU 57 -6.832 -7.869 -7.337 424 H VAL 58 H VAL 58 -3.963 -8.288 -3.821 425 HA VAL 58 HA VAL 58 -3.122 -6.082 -2.141 426 HB VAL 58 HB VAL 58 -4.567 -7.252 -0.585 427 1HG1 VAL 58 1HG1 VAL 58 -3.572 -9.563 -1.928 428 2HG1 VAL 58 2HG1 VAL 58 -3.256 -9.720 -0.198 429 3HG1 VAL 58 3HG1 VAL 58 -4.900 -9.436 -0.774 430 1HG2 VAL 58 1HG2 VAL 58 -1.799 -6.821 -0.205 431 2HG2 VAL 58 2HG2 VAL 58 -3.083 -6.806 1.005 432 3HG2 VAL 58 3HG2 VAL 58 -2.222 -8.303 0.651 433 H LYS 59 H LYS 59 -1.082 -5.856 -2.705 434 HA LYS 59 HA LYS 59 0.597 -8.258 -2.981 435 1HB LYS 59 1HB LYS 59 1.093 -5.813 -4.637 436 2HB LYS 59 2HB LYS 59 1.581 -7.476 -4.941 437 1HG LYS 59 1HG LYS 59 -1.142 -7.675 -4.978 438 2HG LYS 59 2HG LYS 59 -0.878 -6.073 -5.669 439 1HD LYS 59 1HD LYS 59 0.993 -7.472 -7.007 440 2HD LYS 59 2HD LYS 59 -0.207 -8.738 -6.741 441 1HE LYS 59 1HE LYS 59 -1.774 -6.651 -7.535 442 2HE LYS 59 2HE LYS 59 -0.307 -6.371 -8.474 443 1HZ LYS 59 1HZ LYS 59 -0.486 -8.781 -9.140 444 2HZ LYS 59 2HZ LYS 59 -2.047 -8.766 -8.486 445 3HZ LYS 59 3HZ LYS 59 -1.663 -7.748 -9.780 446 H VAL 60 H VAL 60 1.031 -7.707 -0.701 447 HA VAL 60 HA VAL 60 3.499 -6.385 -0.422 448 HB VAL 60 HB VAL 60 2.576 -4.277 -0.505 449 1HG1 VAL 60 1HG1 VAL 60 0.141 -5.327 0.923 450 2HG1 VAL 60 2HG1 VAL 60 0.379 -3.654 0.422 451 3HG1 VAL 60 3HG1 VAL 60 0.274 -4.931 -0.792 452 1HG2 VAL 60 1HG2 VAL 60 3.613 -4.856 1.823 453 2HG2 VAL 60 2HG2 VAL 60 2.811 -3.309 1.570 454 3HG2 VAL 60 3HG2 VAL 60 1.965 -4.616 2.397 455 H LYS 61 H LYS 61 4.387 -6.619 1.647 456 HA LYS 61 HA LYS 61 2.971 -7.559 3.900 457 1HB LYS 61 1HB LYS 61 3.568 -9.864 3.964 458 2HB LYS 61 2HB LYS 61 2.830 -9.574 2.394 459 1HG LYS 61 1HG LYS 61 4.635 -10.852 1.809 460 2HG LYS 61 2HG LYS 61 5.296 -9.227 1.617 461 1HD LYS 61 1HD LYS 61 6.891 -9.699 3.092 462 2HD LYS 61 2HD LYS 61 5.664 -10.015 4.321 463 1HE LYS 61 1HE LYS 61 6.991 -11.976 4.156 464 2HE LYS 61 2HE LYS 61 5.456 -12.331 3.364 465 1HZ LYS 61 1HZ LYS 61 7.054 -11.344 1.374 466 2HZ LYS 61 2HZ LYS 61 8.091 -12.331 2.276 467 3HZ LYS 61 3HZ LYS 61 6.662 -12.970 1.631 468 H VAL 62 H VAL 62 4.162 -7.090 5.633 469 HA VAL 62 HA VAL 62 6.573 -5.808 5.587 470 HB VAL 62 HB VAL 62 5.753 -7.619 7.854 471 1HG1 VAL 62 1HG1 VAL 62 8.009 -6.508 7.892 472 2HG1 VAL 62 2HG1 VAL 62 7.163 -4.961 7.940 473 3HG1 VAL 62 3HG1 VAL 62 6.955 -6.121 9.251 474 1HG2 VAL 62 1HG2 VAL 62 4.339 -5.389 6.721 475 2HG2 VAL 62 2HG2 VAL 62 3.875 -6.446 8.055 476 3HG2 VAL 62 3HG2 VAL 62 4.858 -5.014 8.365 477 H GLY 63 H GLY 63 8.297 -6.574 4.494 478 1HA GLY 63 1HA GLY 63 9.302 -9.241 5.279 479 2HA GLY 63 2HA GLY 63 10.352 -7.864 4.985 480 H ASP 64 H ASP 64 8.640 -7.062 2.646 481 HA ASP 64 HA ASP 64 9.625 -9.103 0.761 482 1HB ASP 64 1HB ASP 64 7.743 -8.321 -0.745 483 2HB ASP 64 2HB ASP 64 7.244 -9.208 0.693 484 H LYS 65 H LYS 65 9.704 -8.066 -1.558 485 HA LYS 65 HA LYS 65 11.370 -5.674 -1.300 486 1HB LYS 65 1HB LYS 65 11.410 -8.034 -2.986 487 2HB LYS 65 2HB LYS 65 11.495 -6.562 -3.944 488 1HG LYS 65 1HG LYS 65 13.275 -6.139 -1.852 489 2HG LYS 65 2HG LYS 65 13.517 -7.823 -2.323 490 1HD LYS 65 1HD LYS 65 13.408 -6.688 -4.753 491 2HD LYS 65 2HD LYS 65 14.049 -5.332 -3.823 492 1HE LYS 65 1HE LYS 65 15.217 -8.095 -4.097 493 2HE LYS 65 2HE LYS 65 15.902 -6.576 -4.674 494 1HZ LYS 65 1HZ LYS 65 16.110 -5.865 -2.353 495 2HZ LYS 65 2HZ LYS 65 15.527 -7.365 -1.835 496 3HZ LYS 65 3HZ LYS 65 17.000 -7.269 -2.663 497 H ILE 66 H ILE 66 11.070 -3.840 -2.588 498 HA ILE 66 HA ILE 66 8.635 -3.703 -4.194 499 HB ILE 66 HB ILE 66 8.864 -2.571 -1.570 500 1HG1 ILE 66 1HG1 ILE 66 6.480 -2.034 -1.973 501 2HG1 ILE 66 2HG1 ILE 66 6.700 -2.444 -3.672 502 1HG2 ILE 66 1HG2 ILE 66 9.783 -0.577 -2.773 503 2HG2 ILE 66 2HG2 ILE 66 8.244 -0.461 -3.625 504 3HG2 ILE 66 3HG2 ILE 66 8.296 -0.279 -1.872 505 1HD1 ILE 66 1HD1 ILE 66 7.511 -4.498 -1.722 506 2HD1 ILE 66 2HD1 ILE 66 5.784 -4.161 -1.841 507 3HD1 ILE 66 3HD1 ILE 66 6.686 -4.659 -3.272 508 H SER 67 H SER 67 8.515 -1.561 -5.391 509 HA SER 67 HA SER 67 11.119 -0.344 -5.893 510 1HB SER 67 1HB SER 67 10.895 -0.655 -8.340 511 2HB SER 67 2HB SER 67 11.045 -2.192 -7.488 512 HG SER 67 HG SER 67 8.931 -2.604 -7.834 513 H GLU 68 H GLU 68 9.190 0.938 -4.583 514 HA GLU 68 HA GLU 68 7.662 2.652 -4.582 515 1HB GLU 68 1HB GLU 68 9.660 3.538 -6.666 516 2HB GLU 68 2HB GLU 68 8.456 4.601 -5.948 517 1HG GLU 68 1HG GLU 68 9.433 4.204 -3.740 518 2HG GLU 68 2HG GLU 68 10.648 3.158 -4.473 519 H GLY 69 H GLY 69 6.451 0.683 -5.941 520 1HA GLY 69 1HA GLY 69 5.515 1.807 -8.482 521 2HA GLY 69 2HA GLY 69 4.336 1.563 -7.202 522 H GLY 70 H GLY 70 4.299 -0.709 -6.273 523 1HA GLY 70 1HA GLY 70 4.942 -3.056 -6.788 524 2HA GLY 70 2HA GLY 70 4.709 -2.639 -8.479 525 H LEU 71 H LEU 71 2.300 -1.066 -7.981 526 HA LEU 71 HA LEU 71 0.043 -1.292 -7.652 527 1HB LEU 71 1HB LEU 71 0.352 -2.476 -9.754 528 2HB LEU 71 2HB LEU 71 0.719 -3.958 -8.894 529 HG LEU 71 HG LEU 71 -1.513 -4.277 -8.238 530 1HD1 LEU 71 1HD1 LEU 71 -1.692 -1.359 -8.553 531 2HD1 LEU 71 2HD1 LEU 71 -3.131 -2.261 -9.027 532 3HD1 LEU 71 3HD1 LEU 71 -2.483 -2.430 -7.396 533 1HD2 LEU 71 1HD2 LEU 71 -0.863 -4.153 -10.862 534 2HD2 LEU 71 2HD2 LEU 71 -2.414 -4.725 -10.246 535 3HD2 LEU 71 3HD2 LEU 71 -2.248 -3.062 -10.810 536 H ILE 72 H ILE 72 0.994 -1.515 -5.264 537 HA ILE 72 HA ILE 72 0.956 -3.814 -3.808 538 HB ILE 72 HB ILE 72 0.272 -0.990 -3.136 539 1HG1 ILE 72 1HG1 ILE 72 2.208 -2.576 -1.577 540 2HG1 ILE 72 2HG1 ILE 72 2.586 -2.392 -3.287 541 1HG2 ILE 72 1HG2 ILE 72 -0.539 -3.321 -1.514 542 2HG2 ILE 72 2HG2 ILE 72 0.331 -2.048 -0.653 543 3HG2 ILE 72 3HG2 ILE 72 -1.157 -1.668 -1.519 544 1HD1 ILE 72 1HD1 ILE 72 1.780 0.081 -1.962 545 2HD1 ILE 72 2HD1 ILE 72 3.266 -0.638 -1.340 546 3HD1 ILE 72 3HD1 ILE 72 3.126 -0.243 -3.053 547 H VAL 73 H VAL 73 -1.874 -1.717 -3.382 548 HA VAL 73 HA VAL 73 -3.554 -4.125 -3.650 549 HB VAL 73 HB VAL 73 -5.065 -3.188 -1.969 550 1HG1 VAL 73 1HG1 VAL 73 -2.383 -4.105 -1.497 551 2HG1 VAL 73 2HG1 VAL 73 -2.900 -3.026 -0.201 552 3HG1 VAL 73 3HG1 VAL 73 -3.859 -4.451 -0.598 553 1HG2 VAL 73 1HG2 VAL 73 -3.016 -0.983 -1.792 554 2HG2 VAL 73 2HG2 VAL 73 -4.707 -0.835 -2.269 555 3HG2 VAL 73 3HG2 VAL 73 -4.293 -1.251 -0.605 556 H VAL 74 H VAL 74 -5.852 -3.664 -4.109 557 HA VAL 74 HA VAL 74 -6.252 -1.259 -5.762 558 HB VAL 74 HB VAL 74 -7.107 -4.065 -6.520 559 1HG1 VAL 74 1HG1 VAL 74 -8.470 -1.885 -7.162 560 2HG1 VAL 74 2HG1 VAL 74 -7.232 -1.783 -8.413 561 3HG1 VAL 74 3HG1 VAL 74 -8.250 -3.217 -8.296 562 1HG2 VAL 74 1HG2 VAL 74 -4.741 -2.437 -7.205 563 2HG2 VAL 74 2HG2 VAL 74 -4.940 -4.190 -7.157 564 3HG2 VAL 74 3HG2 VAL 74 -5.528 -3.271 -8.545 565 H VAL 75 H VAL 75 -7.923 -0.162 -4.935 566 HA VAL 75 HA VAL 75 -10.001 -1.649 -3.503 567 HB VAL 75 HB VAL 75 -10.537 0.491 -2.406 568 1HG1 VAL 75 1HG1 VAL 75 -7.987 -0.941 -2.149 569 2HG1 VAL 75 2HG1 VAL 75 -8.044 0.639 -1.366 570 3HG1 VAL 75 3HG1 VAL 75 -9.224 -0.600 -0.940 571 1HG2 VAL 75 1HG2 VAL 75 -8.754 1.500 -4.423 572 2HG2 VAL 75 2HG2 VAL 75 -9.860 2.375 -3.367 573 3HG2 VAL 75 3HG2 VAL 75 -8.228 1.992 -2.815 574 H GLU 76 H GLU 76 -12.188 -0.925 -3.632 575 HA GLU 76 HA GLU 76 -13.058 -0.544 -6.297 576 1HB GLU 76 1HB GLU 76 -14.202 -1.558 -4.054 577 2HB GLU 76 2HB GLU 76 -14.973 0.023 -4.119 578 1HG GLU 76 1HG GLU 76 -15.594 -0.498 -6.498 579 2HG GLU 76 2HG GLU 76 -15.040 -2.145 -6.196 580 H ALA 77 H ALA 77 -12.664 1.608 -3.549 581 HA ALA 77 HA ALA 77 -12.765 3.858 -3.321 582 1HB ALA 77 1HB ALA 77 -11.090 3.804 -5.049 583 2HB ALA 77 2HB ALA 77 -12.337 3.776 -6.293 584 3HB ALA 77 3HB ALA 77 -12.145 5.199 -5.270 585 H GLU 78 H GLU 78 -14.259 5.445 -3.174 586 HA GLU 78 HA GLU 78 -16.434 6.178 -3.049 587 1HB GLU 78 1HB GLU 78 -17.172 7.163 -5.173 588 2HB GLU 78 2HB GLU 78 -15.475 7.489 -4.848 589 1HG GLU 78 1HG GLU 78 -14.850 5.678 -6.384 590 2HG GLU 78 2HG GLU 78 -16.557 5.405 -6.733 591 H GLY 79 H GLY 79 -16.481 3.409 -2.881 592 1HA GLY 79 1HA GLY 79 -17.702 1.622 -4.209 593 2HA GLY 79 2HA GLY 79 -18.986 2.816 -4.327 594 H THR 80 H THR 80 -20.586 2.546 -2.935 595 HA THR 80 HA THR 80 -21.733 2.102 -1.014 596 HB THR 80 HB THR 80 -21.400 -0.109 -0.083 597 HG1 THR 80 HG1 THR 80 -19.569 -1.202 -0.286 598 1HG2 THR 80 1HG2 THR 80 -20.902 -0.083 -3.047 599 2HG2 THR 80 2HG2 THR 80 -21.320 -1.519 -2.113 600 3HG2 THR 80 3HG2 THR 80 -22.458 -0.177 -2.224 601 H ALA 81 H ALA 81 -19.515 3.914 -0.749 602 HA ALA 81 HA ALA 81 -19.257 3.844 2.124 603 1HB ALA 81 1HB ALA 81 -16.820 3.583 0.371 604 2HB ALA 81 2HB ALA 81 -16.771 4.030 2.076 605 3HB ALA 81 3HB ALA 81 -17.386 2.448 1.597 No H/Q in entry = 605 Start of MODEL 15 1 H1 ALA 1 H1 ALA 1 -12.912 5.444 -10.570 2 H2 ALA 1 H2 ALA 1 -12.536 4.327 -11.816 3 H3 ALA 1 H3 ALA 1 -13.970 5.267 -11.911 4 HA ALA 1 HA ALA 1 -14.926 4.168 -10.116 5 1HB ALA 1 1HB ALA 1 -13.747 2.521 -12.294 6 2HB ALA 1 2HB ALA 1 -14.601 1.705 -10.984 7 3HB ALA 1 3HB ALA 1 -15.433 2.916 -11.962 8 H LEU 2 H LEU 2 -12.332 1.865 -10.722 9 HA LEU 2 HA LEU 2 -11.958 1.587 -7.841 10 1HB LEU 2 1HB LEU 2 -10.811 -0.057 -10.098 11 2HB LEU 2 2HB LEU 2 -10.721 -0.441 -8.390 12 HG LEU 2 HG LEU 2 -13.452 -0.156 -8.911 13 1HD1 LEU 2 1HD1 LEU 2 -12.388 -0.467 -11.363 14 2HD1 LEU 2 2HD1 LEU 2 -12.583 -2.156 -10.891 15 3HD1 LEU 2 3HD1 LEU 2 -13.978 -1.076 -10.899 16 1HD2 LEU 2 1HD2 LEU 2 -12.099 -1.778 -7.451 17 2HD2 LEU 2 2HD2 LEU 2 -13.580 -2.374 -8.202 18 3HD2 LEU 2 3HD2 LEU 2 -12.012 -2.786 -8.897 19 H VAL 3 H VAL 3 -9.557 0.969 -7.282 20 HA VAL 3 HA VAL 3 -7.680 2.753 -8.640 21 HB VAL 3 HB VAL 3 -8.598 3.011 -5.807 22 1HG1 VAL 3 1HG1 VAL 3 -6.209 2.516 -5.554 23 2HG1 VAL 3 2HG1 VAL 3 -5.824 3.805 -6.697 24 3HG1 VAL 3 3HG1 VAL 3 -6.570 4.196 -5.146 25 1HG2 VAL 3 1HG2 VAL 3 -8.150 4.747 -8.159 26 2HG2 VAL 3 2HG2 VAL 3 -9.467 4.737 -6.986 27 3HG2 VAL 3 3HG2 VAL 3 -7.917 5.465 -6.566 28 H GLU 4 H GLU 4 -5.430 2.376 -7.978 29 HA GLU 4 HA GLU 4 -4.956 -0.274 -6.818 30 1HB GLU 4 1HB GLU 4 -3.348 0.590 -9.188 31 2HB GLU 4 2HB GLU 4 -3.652 -1.030 -8.581 32 1HG GLU 4 1HG GLU 4 -4.901 -0.983 -10.510 33 2HG GLU 4 2HG GLU 4 -6.098 -0.578 -9.280 34 H LEU 5 H LEU 5 -3.545 -0.129 -5.207 35 HA LEU 5 HA LEU 5 -2.036 2.263 -4.753 36 1HB LEU 5 1HB LEU 5 -2.869 0.040 -3.226 37 2HB LEU 5 2HB LEU 5 -1.117 0.048 -3.164 38 HG LEU 5 HG LEU 5 -1.134 2.337 -2.309 39 1HD1 LEU 5 1HD1 LEU 5 -3.732 2.395 -3.366 40 2HD1 LEU 5 2HD1 LEU 5 -3.907 2.556 -1.618 41 3HD1 LEU 5 3HD1 LEU 5 -2.885 3.684 -2.510 42 1HD2 LEU 5 1HD2 LEU 5 -2.907 0.412 -0.815 43 2HD2 LEU 5 2HD2 LEU 5 -1.156 0.574 -0.679 44 3HD2 LEU 5 3HD2 LEU 5 -2.209 1.873 -0.118 45 H LYS 6 H LYS 6 0.295 2.400 -4.610 46 HA LYS 6 HA LYS 6 1.809 0.287 -5.918 47 1HB LYS 6 1HB LYS 6 1.554 3.076 -7.038 48 2HB LYS 6 2HB LYS 6 2.807 1.948 -7.518 49 1HG LYS 6 1HG LYS 6 1.372 1.411 -9.143 50 2HG LYS 6 2HG LYS 6 0.608 0.429 -7.893 51 1HD LYS 6 1HD LYS 6 -1.223 1.588 -8.576 52 2HD LYS 6 2HD LYS 6 -0.612 2.743 -7.390 53 1HE LYS 6 1HE LYS 6 -0.792 4.196 -9.104 54 2HE LYS 6 2HE LYS 6 0.769 3.520 -9.570 55 1HZ LYS 6 1HZ LYS 6 -0.794 1.803 -10.782 56 2HZ LYS 6 2HZ LYS 6 -1.866 3.111 -10.765 57 3HZ LYS 6 3HZ LYS 6 -0.355 3.265 -11.509 58 H VAL 7 H VAL 7 2.293 0.639 -3.399 59 HA VAL 7 HA VAL 7 3.889 1.136 -1.841 60 HB VAL 7 HB VAL 7 5.448 1.737 -4.356 61 1HG1 VAL 7 1HG1 VAL 7 6.324 2.892 -2.251 62 2HG1 VAL 7 2HG1 VAL 7 6.687 1.267 -1.674 63 3HG1 VAL 7 3HG1 VAL 7 7.446 1.867 -3.144 64 1HG2 VAL 7 1HG2 VAL 7 4.636 -0.581 -3.987 65 2HG2 VAL 7 2HG2 VAL 7 6.390 -0.430 -4.083 66 3HG2 VAL 7 3HG2 VAL 7 5.607 -0.630 -2.516 67 HA PRO 8 HA PRO 8 3.242 5.427 -1.041 68 1HB PRO 8 1HB PRO 8 5.074 5.880 0.938 69 2HB PRO 8 2HB PRO 8 3.526 5.070 1.184 70 1HG PRO 8 1HG PRO 8 6.252 3.900 0.904 71 2HG PRO 8 2HG PRO 8 4.908 3.386 1.936 72 1HD PRO 8 1HD PRO 8 5.589 2.150 -0.390 73 2HD PRO 8 2HD PRO 8 3.946 2.144 0.271 74 H ASP 9 H ASP 9 6.637 5.588 -0.157 75 HA ASP 9 HA ASP 9 7.901 6.271 -2.464 76 1HB ASP 9 1HB ASP 9 5.981 8.344 -1.685 77 2HB ASP 9 2HB ASP 9 7.615 8.962 -1.902 78 H ILE 10 H ILE 10 8.883 5.144 -0.362 79 HA ILE 10 HA ILE 10 9.867 6.326 1.833 80 HB ILE 10 HB ILE 10 11.870 4.944 1.702 81 1HG1 ILE 10 1HG1 ILE 10 12.415 5.285 -0.672 82 2HG1 ILE 10 2HG1 ILE 10 12.346 3.573 -0.275 83 1HG2 ILE 10 1HG2 ILE 10 9.272 3.692 0.857 84 2HG2 ILE 10 2HG2 ILE 10 10.697 2.732 1.261 85 3HG2 ILE 10 3HG2 ILE 10 9.981 3.794 2.474 86 1HD1 ILE 10 1HD1 ILE 10 9.964 3.645 -1.178 87 2HD1 ILE 10 2HD1 ILE 10 10.411 5.206 -1.866 88 3HD1 ILE 10 3HD1 ILE 10 11.290 3.752 -2.337 89 H GLY 11 H GLY 11 10.926 7.032 -1.432 90 1HA GLY 11 1HA GLY 11 12.216 9.442 -0.497 91 2HA GLY 11 2HA GLY 11 12.006 8.951 -2.170 92 H GLY 12 H GLY 12 13.239 6.419 -2.028 93 1HA GLY 12 1HA GLY 12 15.505 5.737 -1.043 94 2HA GLY 12 2HA GLY 12 16.039 7.278 -1.700 95 H HIS 13 H HIS 13 13.822 4.909 -3.116 96 HA HIS 13 HA HIS 13 14.734 5.063 -5.700 97 1HB HIS 13 1HB HIS 13 16.017 2.758 -5.681 98 2HB HIS 13 2HB HIS 13 16.867 4.266 -5.363 99 HD1 HIS 13 HD1 HIS 13 18.595 3.665 -3.687 100 HD2 HIS 13 HD2 HIS 13 14.890 2.032 -2.757 101 HE1 HIS 13 HE1 HIS 13 18.887 2.573 -1.441 102 HE2 HIS 13 HE2 HIS 13 16.650 1.534 -0.928 103 H GLU 14 H GLU 14 14.047 3.202 -7.064 104 HA GLU 14 HA GLU 14 11.538 2.176 -6.063 105 1HB GLU 14 1HB GLU 14 12.763 1.528 -8.741 106 2HB GLU 14 2HB GLU 14 11.063 1.560 -8.302 107 1HG GLU 14 1HG GLU 14 10.872 3.758 -8.670 108 2HG GLU 14 2HG GLU 14 12.455 4.119 -7.984 109 H ASN 15 H ASN 15 12.933 0.998 -4.410 110 HA ASN 15 HA ASN 15 12.714 -1.741 -4.779 111 1HB ASN 15 1HB ASN 15 15.259 -2.241 -4.714 112 2HB ASN 15 2HB ASN 15 14.521 -1.856 -6.265 113 1HD2 ASN 15 2HD2 ASN 15 15.139 -0.060 -7.344 114 2HD2 ASN 15 1HD2 ASN 15 16.385 1.010 -6.807 115 H VAL 16 H VAL 16 11.795 -1.344 -2.714 116 HA VAL 16 HA VAL 16 13.782 -1.383 -0.574 117 HB VAL 16 HB VAL 16 12.192 0.251 0.704 118 1HG1 VAL 16 1HG1 VAL 16 14.633 0.499 -0.505 119 2HG1 VAL 16 2HG1 VAL 16 13.729 1.843 -1.203 120 3HG1 VAL 16 3HG1 VAL 16 13.888 1.701 0.548 121 1HG2 VAL 16 1HG2 VAL 16 11.666 1.012 -2.174 122 2HG2 VAL 16 2HG2 VAL 16 10.481 0.434 -0.999 123 3HG2 VAL 16 3HG2 VAL 16 11.259 1.998 -0.767 124 H ASP 17 H ASP 17 13.113 -2.418 1.275 125 HA ASP 17 HA ASP 17 10.940 -4.247 0.953 126 1HB ASP 17 1HB ASP 17 12.541 -3.765 3.465 127 2HB ASP 17 2HB ASP 17 11.672 -5.226 3.007 128 H ILE 18 H ILE 18 9.044 -4.398 2.121 129 HA ILE 18 HA ILE 18 7.871 -1.936 2.949 130 HB ILE 18 HB ILE 18 6.922 -4.801 3.004 131 1HG1 ILE 18 1HG1 ILE 18 5.483 -2.717 1.507 132 2HG1 ILE 18 2HG1 ILE 18 7.127 -3.020 0.955 133 1HG2 ILE 18 1HG2 ILE 18 5.440 -2.344 3.923 134 2HG2 ILE 18 2HG2 ILE 18 4.674 -3.890 3.563 135 3HG2 ILE 18 3HG2 ILE 18 5.845 -3.772 4.875 136 1HD1 ILE 18 1HD1 ILE 18 5.583 -5.449 1.413 137 2HD1 ILE 18 2HD1 ILE 18 4.914 -4.395 0.166 138 3HD1 ILE 18 3HD1 ILE 18 6.576 -4.972 0.037 139 H ILE 19 H ILE 19 6.800 -1.708 5.133 140 HA ILE 19 HA ILE 19 8.378 -3.078 7.203 141 HB ILE 19 HB ILE 19 9.188 -1.224 8.214 142 1HG1 ILE 19 1HG1 ILE 19 7.827 1.090 7.401 143 2HG1 ILE 19 2HG1 ILE 19 6.565 -0.083 7.729 144 1HG2 ILE 19 1HG2 ILE 19 9.740 -1.247 5.687 145 2HG2 ILE 19 2HG2 ILE 19 8.760 0.220 5.634 146 3HG2 ILE 19 3HG2 ILE 19 10.192 0.150 6.662 147 1HD1 ILE 19 1HD1 ILE 19 8.007 -0.469 9.911 148 2HD1 ILE 19 2HD1 ILE 19 8.501 1.189 9.562 149 3HD1 ILE 19 3HD1 ILE 19 6.795 0.808 9.798 150 H ALA 20 H ALA 20 5.333 -2.409 6.120 151 HA ALA 20 HA ALA 20 4.168 -3.314 8.599 152 1HB ALA 20 1HB ALA 20 4.333 -0.774 8.724 153 2HB ALA 20 2HB ALA 20 3.097 -0.750 7.468 154 3HB ALA 20 3HB ALA 20 2.752 -1.495 9.028 155 H VAL 21 H VAL 21 2.030 -4.110 8.348 156 HA VAL 21 HA VAL 21 0.998 -4.172 5.605 157 HB VAL 21 HB VAL 21 2.337 -6.236 5.991 158 1HG1 VAL 21 1HG1 VAL 21 1.772 -6.366 8.442 159 2HG1 VAL 21 2HG1 VAL 21 0.199 -7.005 7.966 160 3HG1 VAL 21 3HG1 VAL 21 1.671 -7.888 7.557 161 1HG2 VAL 21 1HG2 VAL 21 0.402 -6.143 4.431 162 2HG2 VAL 21 2HG2 VAL 21 0.706 -7.751 5.087 163 3HG2 VAL 21 3HG2 VAL 21 -0.619 -6.775 5.724 164 H GLU 22 H GLU 22 -1.166 -3.995 5.455 165 HA GLU 22 HA GLU 22 -2.892 -4.747 7.647 166 1HB GLU 22 1HB GLU 22 -2.633 -1.859 6.798 167 2HB GLU 22 2HB GLU 22 -3.939 -2.485 7.795 168 1HG GLU 22 1HG GLU 22 -1.017 -2.551 8.515 169 2HG GLU 22 2HG GLU 22 -2.193 -1.381 9.112 170 H VAL 23 H VAL 23 -2.431 -5.332 4.764 171 HA VAL 23 HA VAL 23 -5.120 -4.666 3.757 172 HB VAL 23 HB VAL 23 -4.081 -5.181 1.468 173 1HG1 VAL 23 1HG1 VAL 23 -4.489 -2.862 2.815 174 2HG1 VAL 23 2HG1 VAL 23 -2.773 -2.732 2.426 175 3HG1 VAL 23 3HG1 VAL 23 -3.956 -2.961 1.138 176 1HG2 VAL 23 1HG2 VAL 23 -1.992 -6.146 2.566 177 2HG2 VAL 23 2HG2 VAL 23 -1.750 -5.054 1.203 178 3HG2 VAL 23 3HG2 VAL 23 -1.509 -4.474 2.851 179 H ASN 24 H ASN 24 -6.468 -6.321 3.584 180 HA ASN 24 HA ASN 24 -5.383 -9.001 3.061 181 1HB ASN 24 1HB ASN 24 -6.237 -8.308 5.530 182 2HB ASN 24 2HB ASN 24 -7.751 -8.865 4.822 183 1HD2 ASN 24 2HD2 ASN 24 -8.162 -10.905 5.204 184 2HD2 ASN 24 1HD2 ASN 24 -6.999 -12.172 5.381 185 H VAL 25 H VAL 25 -7.085 -6.717 1.705 186 HA VAL 25 HA VAL 25 -8.698 -6.603 0.110 187 HB VAL 25 HB VAL 25 -8.367 -9.604 0.082 188 1HG1 VAL 25 1HG1 VAL 25 -10.508 -8.844 -0.904 189 2HG1 VAL 25 2HG1 VAL 25 -9.598 -7.825 -2.020 190 3HG1 VAL 25 3HG1 VAL 25 -9.426 -9.580 -2.086 191 1HG2 VAL 25 1HG2 VAL 25 -6.794 -7.395 -0.990 192 2HG2 VAL 25 2HG2 VAL 25 -6.357 -9.086 -0.745 193 3HG2 VAL 25 3HG2 VAL 25 -7.227 -8.603 -2.201 194 H GLY 26 H GLY 26 -10.728 -6.059 0.544 195 1HA GLY 26 1HA GLY 26 -12.419 -7.984 2.003 196 2HA GLY 26 2HA GLY 26 -13.014 -6.751 0.901 197 H ASP 27 H ASP 27 -10.723 -5.150 2.540 198 HA ASP 27 HA ASP 27 -12.418 -4.544 4.856 199 1HB ASP 27 1HB ASP 27 -9.501 -4.371 4.312 200 2HB ASP 27 2HB ASP 27 -10.190 -3.154 5.383 201 H THR 28 H THR 28 -13.044 -2.439 5.340 202 HA THR 28 HA THR 28 -13.563 -0.766 3.104 203 HB THR 28 HB THR 28 -13.792 0.142 5.959 204 HG1 THR 28 HG1 THR 28 -14.802 -1.737 6.169 205 1HG2 THR 28 1HG2 THR 28 -15.519 0.583 3.536 206 2HG2 THR 28 2HG2 THR 28 -15.873 1.163 5.163 207 3HG2 THR 28 3HG2 THR 28 -14.455 1.762 4.301 208 H ILE 29 H ILE 29 -12.501 0.965 2.340 209 HA ILE 29 HA ILE 29 -10.203 1.965 3.893 210 HB ILE 29 HB ILE 29 -9.109 2.453 1.677 211 1HG1 ILE 29 1HG1 ILE 29 -10.386 0.379 0.183 212 2HG1 ILE 29 2HG1 ILE 29 -11.618 1.521 0.709 213 1HG2 ILE 29 1HG2 ILE 29 -8.409 0.596 3.088 214 2HG2 ILE 29 2HG2 ILE 29 -9.628 -0.441 2.346 215 3HG2 ILE 29 3HG2 ILE 29 -8.283 0.171 1.381 216 1HD1 ILE 29 1HD1 ILE 29 -9.110 2.235 -0.791 217 2HD1 ILE 29 2HD1 ILE 29 -10.720 2.075 -1.492 218 3HD1 ILE 29 3HD1 ILE 29 -10.394 3.345 -0.313 219 H ALA 30 H ALA 30 -9.828 4.158 3.877 220 HA ALA 30 HA ALA 30 -11.936 5.803 2.634 221 1HB ALA 30 1HB ALA 30 -12.257 6.827 4.581 222 2HB ALA 30 2HB ALA 30 -10.532 7.150 4.762 223 3HB ALA 30 3HB ALA 30 -11.207 5.619 5.322 224 H VAL 31 H VAL 31 -10.942 8.276 2.792 225 HA VAL 31 HA VAL 31 -8.725 8.181 0.904 226 HB VAL 31 HB VAL 31 -10.168 10.664 1.806 227 1HG1 VAL 31 1HG1 VAL 31 -8.173 9.995 -0.205 228 2HG1 VAL 31 2HG1 VAL 31 -9.555 10.868 -0.868 229 3HG1 VAL 31 3HG1 VAL 31 -8.629 11.563 0.462 230 1HG2 VAL 31 1HG2 VAL 31 -11.336 8.442 0.502 231 2HG2 VAL 31 2HG2 VAL 31 -12.043 10.030 0.801 232 3HG2 VAL 31 3HG2 VAL 31 -11.160 9.725 -0.695 233 H ASP 32 H ASP 32 -8.020 7.504 3.549 234 HA ASP 32 HA ASP 32 -5.700 8.873 3.979 235 1HB ASP 32 1HB ASP 32 -6.409 10.238 6.068 236 2HB ASP 32 2HB ASP 32 -6.692 10.932 4.475 237 H ASP 33 H ASP 33 -5.855 6.387 4.236 238 HA ASP 33 HA ASP 33 -5.795 5.846 7.112 239 1HB ASP 33 1HB ASP 33 -6.909 3.616 6.662 240 2HB ASP 33 2HB ASP 33 -7.959 5.024 6.544 241 H THR 34 H THR 34 -3.795 5.190 7.519 242 HA THR 34 HA THR 34 -1.917 4.382 5.657 243 HB THR 34 HB THR 34 -0.964 3.167 7.826 244 HG1 THR 34 HG1 THR 34 -2.137 3.578 9.498 245 1HG2 THR 34 1HG2 THR 34 -0.121 5.223 6.568 246 2HG2 THR 34 2HG2 THR 34 -0.988 6.150 7.794 247 3HG2 THR 34 3HG2 THR 34 0.304 5.050 8.273 248 H LEU 35 H LEU 35 -1.879 2.708 4.389 249 HA LEU 35 HA LEU 35 -3.262 0.252 5.138 250 1HB LEU 35 1HB LEU 35 -2.013 1.224 2.573 251 2HB LEU 35 2HB LEU 35 -2.570 -0.426 2.772 252 HG LEU 35 HG LEU 35 -4.263 2.070 2.891 253 1HD1 LEU 35 1HD1 LEU 35 -3.779 -0.052 0.861 254 2HD1 LEU 35 2HD1 LEU 35 -5.387 0.662 0.982 255 3HD1 LEU 35 3HD1 LEU 35 -3.990 1.685 0.651 256 1HD2 LEU 35 1HD2 LEU 35 -4.841 -0.775 3.607 257 2HD2 LEU 35 2HD2 LEU 35 -5.314 0.708 4.436 258 3HD2 LEU 35 3HD2 LEU 35 -6.112 0.245 2.933 259 H ILE 36 H ILE 36 -0.085 1.566 4.622 260 HA ILE 36 HA ILE 36 1.137 -0.568 6.090 261 HB ILE 36 HB ILE 36 2.811 -1.138 4.280 262 1HG1 ILE 36 1HG1 ILE 36 2.413 -0.743 2.035 263 2HG1 ILE 36 2HG1 ILE 36 0.695 -0.449 2.276 264 1HG2 ILE 36 1HG2 ILE 36 0.632 -2.388 5.089 265 2HG2 ILE 36 2HG2 ILE 36 0.179 -2.152 3.402 266 3HG2 ILE 36 3HG2 ILE 36 1.659 -3.023 3.805 267 1HD1 ILE 36 1HD1 ILE 36 2.879 1.438 3.123 268 2HD1 ILE 36 2HD1 ILE 36 1.995 1.543 1.602 269 3HD1 ILE 36 3HD1 ILE 36 1.141 1.742 3.131 270 H THR 37 H THR 37 3.720 -0.268 5.706 271 HA THR 37 HA THR 37 4.348 2.567 5.500 272 HB THR 37 HB THR 37 4.958 0.883 7.932 273 HG1 THR 37 HG1 THR 37 2.901 1.880 7.890 274 1HG2 THR 37 1HG2 THR 37 6.734 2.644 6.998 275 2HG2 THR 37 2HG2 THR 37 5.678 3.739 7.887 276 3HG2 THR 37 3HG2 THR 37 6.442 2.386 8.718 277 H LEU 38 H LEU 38 6.052 2.794 4.232 278 HA LEU 38 HA LEU 38 7.811 0.486 3.815 279 1HB LEU 38 1HB LEU 38 6.501 1.989 2.003 280 2HB LEU 38 2HB LEU 38 8.020 2.858 2.071 281 HG LEU 38 HG LEU 38 9.110 0.544 1.689 282 1HD1 LEU 38 1HD1 LEU 38 6.804 -0.551 2.053 283 2HD1 LEU 38 2HD1 LEU 38 6.483 -0.065 0.388 284 3HD1 LEU 38 3HD1 LEU 38 7.828 -1.148 0.747 285 1HD2 LEU 38 1HD2 LEU 38 7.757 2.361 -0.219 286 2HD2 LEU 38 2HD2 LEU 38 9.460 1.951 -0.057 287 3HD2 LEU 38 3HD2 LEU 38 8.364 0.830 -0.847 288 H GLU 39 H GLU 39 10.136 1.053 3.273 289 HA GLU 39 HA GLU 39 11.240 3.463 4.320 290 1HB GLU 39 1HB GLU 39 10.575 2.179 6.399 291 2HB GLU 39 2HB GLU 39 11.797 0.995 5.955 292 1HG GLU 39 1HG GLU 39 12.692 3.799 6.052 293 2HG GLU 39 2HG GLU 39 12.247 3.070 7.593 294 H THR 40 H THR 40 13.657 3.357 4.418 295 HA THR 40 HA THR 40 14.708 1.365 2.521 296 HB THR 40 HB THR 40 15.952 3.000 1.381 297 HG1 THR 40 HG1 THR 40 16.284 5.063 2.172 298 1HG2 THR 40 1HG2 THR 40 13.174 3.498 1.722 299 2HG2 THR 40 2HG2 THR 40 14.023 5.038 1.581 300 3HG2 THR 40 3HG2 THR 40 14.198 3.816 0.322 301 H ASP 41 H ASP 41 15.820 3.876 4.783 302 HA ASP 41 HA ASP 41 17.206 2.069 6.458 303 1HB ASP 41 1HB ASP 41 18.642 2.146 4.312 304 2HB ASP 41 2HB ASP 41 19.080 3.772 4.831 305 H LYS 42 H LYS 42 17.026 5.366 5.204 306 HA LYS 42 HA LYS 42 17.379 6.354 7.958 307 1HB LYS 42 1HB LYS 42 18.789 7.044 5.617 308 2HB LYS 42 2HB LYS 42 17.756 8.417 5.989 309 1HG LYS 42 1HG LYS 42 19.684 7.127 7.908 310 2HG LYS 42 2HG LYS 42 19.979 8.610 7.000 311 1HD LYS 42 1HD LYS 42 17.473 8.823 8.357 312 2HD LYS 42 2HD LYS 42 18.715 8.323 9.508 313 1HE LYS 42 1HE LYS 42 19.211 10.501 9.642 314 2HE LYS 42 2HE LYS 42 19.997 10.272 8.081 315 1HZ LYS 42 1HZ LYS 42 17.131 10.828 8.065 316 2HZ LYS 42 2HZ LYS 42 18.160 12.108 8.475 317 3HZ LYS 42 3HZ LYS 42 18.334 11.324 6.985 318 H ALA 43 H ALA 43 15.452 6.476 5.049 319 HA ALA 43 HA ALA 43 13.564 8.284 6.412 320 1HB ALA 43 1HB ALA 43 14.736 8.811 4.073 321 2HB ALA 43 2HB ALA 43 13.100 9.343 4.462 322 3HB ALA 43 3HB ALA 43 13.349 7.895 3.487 323 H THR 44 H THR 44 11.562 7.579 6.828 324 HA THR 44 HA THR 44 10.756 4.983 5.688 325 HB THR 44 HB THR 44 9.779 4.366 7.703 326 HG1 THR 44 HG1 THR 44 9.798 7.097 8.463 327 1HG2 THR 44 1HG2 THR 44 12.382 5.278 7.893 328 2HG2 THR 44 2HG2 THR 44 11.570 5.972 9.295 329 3HG2 THR 44 3HG2 THR 44 11.542 4.228 9.034 330 H MET 45 H MET 45 8.759 4.790 4.772 331 HA MET 45 HA MET 45 7.028 7.173 4.823 332 1HB MET 45 1HB MET 45 8.162 5.705 2.523 333 2HB MET 45 2HB MET 45 6.460 6.121 2.391 334 1HG MET 45 1HG MET 45 8.145 8.318 3.322 335 2HG MET 45 2HG MET 45 8.540 7.740 1.706 336 1HE MET 45 1HE MET 45 7.085 10.096 3.590 337 2HE MET 45 2HE MET 45 7.042 10.982 2.065 338 3HE MET 45 3HE MET 45 5.543 10.634 2.926 339 H ASP 46 H ASP 46 4.839 6.452 3.618 340 HA ASP 46 HA ASP 46 3.930 3.809 4.130 341 1HB ASP 46 1HB ASP 46 2.230 4.490 5.883 342 2HB ASP 46 2HB ASP 46 3.898 4.403 6.438 343 H VAL 47 H VAL 47 1.579 3.575 3.685 344 HA VAL 47 HA VAL 47 0.708 5.692 1.831 345 HB VAL 47 HB VAL 47 0.133 2.729 1.735 346 1HG1 VAL 47 1HG1 VAL 47 -0.925 4.999 0.062 347 2HG1 VAL 47 2HG1 VAL 47 -0.953 3.318 -0.471 348 3HG1 VAL 47 3HG1 VAL 47 -1.841 3.801 0.975 349 1HG2 VAL 47 1HG2 VAL 47 2.400 3.491 1.003 350 2HG2 VAL 47 2HG2 VAL 47 1.452 2.705 -0.260 351 3HG2 VAL 47 3HG2 VAL 47 1.611 4.462 -0.240 352 HA PRO 48 HA PRO 48 -2.738 5.839 4.757 353 1HB PRO 48 1HB PRO 48 -3.343 8.404 4.430 354 2HB PRO 48 2HB PRO 48 -1.861 7.936 5.274 355 1HG PRO 48 1HG PRO 48 -2.219 8.945 2.490 356 2HG PRO 48 2HG PRO 48 -0.918 9.276 3.646 357 1HD PRO 48 1HD PRO 48 -0.835 7.404 1.559 358 2HD PRO 48 2HD PRO 48 0.287 7.489 2.929 359 H ALA 49 H ALA 49 -3.080 4.668 2.181 360 HA ALA 49 HA ALA 49 -4.648 4.254 0.585 361 1HB ALA 49 1HB ALA 49 -6.677 5.671 2.266 362 2HB ALA 49 2HB ALA 49 -5.957 4.158 2.818 363 3HB ALA 49 3HB ALA 49 -6.850 4.206 1.299 364 H GLU 50 H GLU 50 -6.398 5.333 -0.837 365 HA GLU 50 HA GLU 50 -6.223 8.202 -1.029 366 1HB GLU 50 1HB GLU 50 -5.211 8.318 -3.198 367 2HB GLU 50 2HB GLU 50 -4.143 7.395 -2.148 368 1HG GLU 50 1HG GLU 50 -4.593 5.402 -3.217 369 2HG GLU 50 2HG GLU 50 -6.127 5.975 -3.866 370 H VAL 51 H VAL 51 -8.324 6.265 -0.666 371 HA VAL 51 HA VAL 51 -10.212 7.310 -2.493 372 HB VAL 51 HB VAL 51 -10.782 4.869 -3.362 373 1HG1 VAL 51 1HG1 VAL 51 -9.957 7.134 -4.510 374 2HG1 VAL 51 2HG1 VAL 51 -8.556 6.121 -4.856 375 3HG1 VAL 51 3HG1 VAL 51 -10.155 5.631 -5.409 376 1HG2 VAL 51 1HG2 VAL 51 -7.822 4.796 -2.807 377 2HG2 VAL 51 2HG2 VAL 51 -9.054 3.621 -2.342 378 3HG2 VAL 51 3HG2 VAL 51 -8.584 3.781 -4.033 379 H ALA 52 H ALA 52 -12.375 6.104 -2.287 380 HA ALA 52 HA ALA 52 -12.626 5.071 0.466 381 1HB ALA 52 1HB ALA 52 -14.474 6.883 -1.055 382 2HB ALA 52 2HB ALA 52 -14.863 6.131 0.492 383 3HB ALA 52 3HB ALA 52 -13.528 7.278 0.383 384 H GLY 53 H GLY 53 -12.555 2.894 -0.295 385 1HA GLY 53 1HA GLY 53 -13.931 1.683 -2.292 386 2HA GLY 53 2HA GLY 53 -15.165 1.939 -1.074 387 H VAL 54 H VAL 54 -13.560 -0.444 -2.260 388 HA VAL 54 HA VAL 54 -12.694 -1.642 0.282 389 HB VAL 54 HB VAL 54 -14.560 -2.927 -1.722 390 1HG1 VAL 54 1HG1 VAL 54 -12.772 -4.074 0.256 391 2HG1 VAL 54 2HG1 VAL 54 -14.453 -4.525 0.540 392 3HG1 VAL 54 3HG1 VAL 54 -13.702 -4.864 -1.018 393 1HG2 VAL 54 1HG2 VAL 54 -15.617 -1.280 -0.216 394 2HG2 VAL 54 2HG2 VAL 54 -16.193 -2.924 0.061 395 3HG2 VAL 54 3HG2 VAL 54 -15.027 -2.200 1.169 396 H VAL 55 H VAL 55 -10.985 -3.075 0.122 397 HA VAL 55 HA VAL 55 -9.435 -2.933 -2.273 398 HB VAL 55 HB VAL 55 -8.951 -4.636 0.170 399 1HG1 VAL 55 1HG1 VAL 55 -7.800 -5.348 -1.966 400 2HG1 VAL 55 2HG1 VAL 55 -6.967 -3.792 -1.941 401 3HG1 VAL 55 3HG1 VAL 55 -6.725 -4.942 -0.627 402 1HG2 VAL 55 1HG2 VAL 55 -9.036 -2.021 0.303 403 2HG2 VAL 55 2HG2 VAL 55 -7.735 -2.912 1.094 404 3HG2 VAL 55 3HG2 VAL 55 -7.451 -2.134 -0.464 405 H LYS 56 H LYS 56 -8.935 -4.494 -3.725 406 HA LYS 56 HA LYS 56 -10.652 -6.888 -3.703 407 1HB LYS 56 1HB LYS 56 -9.446 -6.461 -6.264 408 2HB LYS 56 2HB LYS 56 -11.155 -6.469 -5.846 409 1HG LYS 56 1HG LYS 56 -9.386 -4.053 -5.557 410 2HG LYS 56 2HG LYS 56 -10.341 -4.403 -6.999 411 1HD LYS 56 1HD LYS 56 -11.498 -4.140 -4.227 412 2HD LYS 56 2HD LYS 56 -11.429 -2.822 -5.399 413 1HE LYS 56 1HE LYS 56 -13.180 -3.613 -6.545 414 2HE LYS 56 2HE LYS 56 -12.572 -5.267 -6.496 415 1HZ LYS 56 1HZ LYS 56 -13.368 -4.763 -3.934 416 2HZ LYS 56 2HZ LYS 56 -14.562 -4.017 -4.871 417 3HZ LYS 56 3HZ LYS 56 -14.223 -5.662 -5.083 418 H GLU 57 H GLU 57 -7.474 -5.640 -4.613 419 HA GLU 57 HA GLU 57 -6.445 -8.358 -4.362 420 1HB GLU 57 1HB GLU 57 -5.811 -6.143 -6.216 421 2HB GLU 57 2HB GLU 57 -4.457 -7.131 -5.685 422 1HG GLU 57 1HG GLU 57 -5.380 -9.082 -6.617 423 2HG GLU 57 2HG GLU 57 -6.958 -8.325 -6.835 424 H VAL 58 H VAL 58 -4.017 -8.361 -3.832 425 HA VAL 58 HA VAL 58 -3.042 -6.263 -2.118 426 HB VAL 58 HB VAL 58 -4.525 -7.359 -0.528 427 1HG1 VAL 58 1HG1 VAL 58 -4.363 -9.583 -1.850 428 2HG1 VAL 58 2HG1 VAL 58 -2.995 -9.914 -0.788 429 3HG1 VAL 58 3HG1 VAL 58 -4.596 -9.633 -0.102 430 1HG2 VAL 58 1HG2 VAL 58 -1.786 -6.959 -0.190 431 2HG2 VAL 58 2HG2 VAL 58 -3.008 -7.075 1.076 432 3HG2 VAL 58 3HG2 VAL 58 -2.122 -8.514 0.572 433 H LYS 59 H LYS 59 -0.962 -6.188 -2.575 434 HA LYS 59 HA LYS 59 0.524 -8.695 -2.938 435 1HB LYS 59 1HB LYS 59 1.160 -6.325 -4.646 436 2HB LYS 59 2HB LYS 59 1.477 -8.030 -4.945 437 1HG LYS 59 1HG LYS 59 -1.224 -8.030 -4.913 438 2HG LYS 59 2HG LYS 59 -0.903 -6.415 -5.544 439 1HD LYS 59 1HD LYS 59 0.763 -7.669 -7.111 440 2HD LYS 59 2HD LYS 59 -0.219 -9.078 -6.705 441 1HE LYS 59 1HE LYS 59 -1.957 -6.907 -7.326 442 2HE LYS 59 2HE LYS 59 -0.752 -7.042 -8.607 443 1HZ LYS 59 1HZ LYS 59 -1.773 -9.591 -7.829 444 2HZ LYS 59 2HZ LYS 59 -3.010 -8.557 -8.343 445 3HZ LYS 59 3HZ LYS 59 -1.703 -8.885 -9.364 446 H VAL 60 H VAL 60 0.792 -7.828 -0.590 447 HA VAL 60 HA VAL 60 3.452 -6.869 -0.364 448 HB VAL 60 HB VAL 60 2.814 -4.682 -0.675 449 1HG1 VAL 60 1HG1 VAL 60 0.214 -5.342 0.684 450 2HG1 VAL 60 2HG1 VAL 60 0.683 -3.709 0.209 451 3HG1 VAL 60 3HG1 VAL 60 0.482 -4.961 -1.018 452 1HG2 VAL 60 1HG2 VAL 60 3.682 -5.181 1.759 453 2HG2 VAL 60 2HG2 VAL 60 3.163 -3.563 1.293 454 3HG2 VAL 60 3HG2 VAL 60 2.079 -4.609 2.210 455 H LYS 61 H LYS 61 4.264 -7.033 1.729 456 HA LYS 61 HA LYS 61 2.462 -8.014 3.816 457 1HB LYS 61 1HB LYS 61 5.014 -9.453 3.073 458 2HB LYS 61 2HB LYS 61 3.851 -9.929 4.305 459 1HG LYS 61 1HG LYS 61 2.314 -9.786 2.032 460 2HG LYS 61 2HG LYS 61 3.850 -10.425 1.440 461 1HD LYS 61 1HD LYS 61 3.614 -11.965 3.581 462 2HD LYS 61 2HD LYS 61 1.901 -11.608 3.351 463 1HE LYS 61 1HE LYS 61 3.790 -12.873 1.373 464 2HE LYS 61 2HE LYS 61 2.424 -13.638 2.184 465 1HZ LYS 61 1HZ LYS 61 0.943 -12.110 1.011 466 2HZ LYS 61 2HZ LYS 61 2.265 -11.428 0.206 467 3HZ LYS 61 3HZ LYS 61 1.849 -13.044 -0.069 468 H VAL 62 H VAL 62 4.274 -8.658 5.743 469 HA VAL 62 HA VAL 62 5.422 -6.044 6.343 470 HB VAL 62 HB VAL 62 3.975 -7.131 8.027 471 1HG1 VAL 62 1HG1 VAL 62 5.086 -9.450 7.361 472 2HG1 VAL 62 2HG1 VAL 62 6.113 -9.057 8.741 473 3HG1 VAL 62 3HG1 VAL 62 4.364 -9.173 8.947 474 1HG2 VAL 62 1HG2 VAL 62 6.678 -6.148 8.470 475 2HG2 VAL 62 2HG2 VAL 62 5.175 -5.740 9.297 476 3HG2 VAL 62 3HG2 VAL 62 6.094 -7.164 9.788 477 H GLY 63 H GLY 63 6.815 -7.409 4.376 478 1HA GLY 63 1HA GLY 63 9.044 -8.818 5.552 479 2HA GLY 63 2HA GLY 63 9.429 -7.180 5.048 480 H ASP 64 H ASP 64 8.815 -6.646 2.744 481 HA ASP 64 HA ASP 64 9.896 -8.704 1.037 482 1HB ASP 64 1HB ASP 64 7.921 -8.444 -0.587 483 2HB ASP 64 2HB ASP 64 7.681 -9.462 0.829 484 H LYS 65 H LYS 65 10.755 -7.908 -0.863 485 HA LYS 65 HA LYS 65 11.465 -5.169 -0.885 486 1HB LYS 65 1HB LYS 65 11.801 -7.380 -2.907 487 2HB LYS 65 2HB LYS 65 12.399 -5.750 -3.182 488 1HG LYS 65 1HG LYS 65 13.322 -6.511 -0.640 489 2HG LYS 65 2HG LYS 65 13.587 -7.891 -1.709 490 1HD LYS 65 1HD LYS 65 15.326 -6.870 -2.646 491 2HD LYS 65 2HD LYS 65 14.317 -5.488 -3.077 492 1HE LYS 65 1HE LYS 65 14.705 -4.486 -0.910 493 2HE LYS 65 2HE LYS 65 15.617 -5.901 -0.387 494 1HZ LYS 65 1HZ LYS 65 17.204 -5.411 -2.213 495 2HZ LYS 65 2HZ LYS 65 16.378 -3.961 -2.499 496 3HZ LYS 65 3HZ LYS 65 17.152 -4.217 -1.017 497 H ILE 66 H ILE 66 10.574 -3.459 -1.863 498 HA ILE 66 HA ILE 66 8.545 -3.896 -3.916 499 HB ILE 66 HB ILE 66 7.817 -3.329 -1.354 500 1HG1 ILE 66 1HG1 ILE 66 5.628 -2.813 -2.273 501 2HG1 ILE 66 2HG1 ILE 66 6.353 -2.456 -3.842 502 1HG2 ILE 66 1HG2 ILE 66 8.801 -1.095 -1.384 503 2HG2 ILE 66 2HG2 ILE 66 7.785 -0.665 -2.758 504 3HG2 ILE 66 3HG2 ILE 66 7.049 -1.037 -1.202 505 1HD1 ILE 66 1HD1 ILE 66 7.225 -5.018 -3.060 506 2HD1 ILE 66 2HD1 ILE 66 5.476 -4.946 -2.818 507 3HD1 ILE 66 3HD1 ILE 66 6.165 -4.578 -4.402 508 H SER 67 H SER 67 7.834 -1.538 -4.745 509 HA SER 67 HA SER 67 10.054 0.311 -4.831 510 1HB SER 67 1HB SER 67 9.151 -0.849 -7.458 511 2HB SER 67 2HB SER 67 10.580 0.125 -7.121 512 HG SER 67 HG SER 67 11.006 -2.148 -7.382 513 H GLU 68 H GLU 68 9.161 2.247 -4.669 514 HA GLU 68 HA GLU 68 6.597 3.029 -4.721 515 1HB GLU 68 1HB GLU 68 7.470 5.293 -5.571 516 2HB GLU 68 2HB GLU 68 8.130 4.656 -4.071 517 1HG GLU 68 1HG GLU 68 10.155 4.894 -4.913 518 2HG GLU 68 2HG GLU 68 9.767 3.662 -6.113 519 H GLY 69 H GLY 69 5.306 2.000 -6.270 520 1HA GLY 69 1HA GLY 69 5.770 2.868 -9.051 521 2HA GLY 69 2HA GLY 69 4.179 2.946 -8.321 522 H GLY 70 H GLY 70 3.942 0.498 -7.050 523 1HA GLY 70 1HA GLY 70 4.307 -1.864 -7.546 524 2HA GLY 70 2HA GLY 70 4.414 -1.428 -9.245 525 H LEU 71 H LEU 71 2.514 -2.878 -7.064 526 HA LEU 71 HA LEU 71 -0.059 -1.853 -7.842 527 1HB LEU 71 1HB LEU 71 0.514 -3.206 -9.810 528 2HB LEU 71 2HB LEU 71 0.810 -4.592 -8.778 529 HG LEU 71 HG LEU 71 -1.471 -4.897 -8.318 530 1HD1 LEU 71 1HD1 LEU 71 -1.895 -2.111 -9.382 531 2HD1 LEU 71 2HD1 LEU 71 -3.201 -3.236 -9.007 532 3HD1 LEU 71 3HD1 LEU 71 -2.125 -2.675 -7.726 533 1HD2 LEU 71 1HD2 LEU 71 -0.640 -4.525 -11.051 534 2HD2 LEU 71 2HD2 LEU 71 -1.692 -5.755 -10.354 535 3HD2 LEU 71 3HD2 LEU 71 -2.365 -4.209 -10.867 536 H ILE 72 H ILE 72 1.130 -2.022 -5.418 537 HA ILE 72 HA ILE 72 0.973 -4.169 -3.819 538 HB ILE 72 HB ILE 72 0.497 -1.276 -3.371 539 1HG1 ILE 72 1HG1 ILE 72 2.297 -3.238 -1.954 540 2HG1 ILE 72 2HG1 ILE 72 2.722 -2.466 -3.479 541 1HG2 ILE 72 1HG2 ILE 72 -0.525 -3.377 -1.534 542 2HG2 ILE 72 2HG2 ILE 72 0.408 -2.069 -0.800 543 3HG2 ILE 72 3HG2 ILE 72 -1.038 -1.702 -1.738 544 1HD1 ILE 72 1HD1 ILE 72 1.862 -0.513 -1.562 545 2HD1 ILE 72 2HD1 ILE 72 3.170 -1.504 -0.915 546 3HD1 ILE 72 3HD1 ILE 72 3.386 -0.641 -2.437 547 H VAL 73 H VAL 73 -1.814 -1.970 -3.500 548 HA VAL 73 HA VAL 73 -3.566 -4.328 -3.716 549 HB VAL 73 HB VAL 73 -4.892 -3.594 -1.830 550 1HG1 VAL 73 1HG1 VAL 73 -2.152 -4.438 -1.650 551 2HG1 VAL 73 2HG1 VAL 73 -2.595 -3.482 -0.235 552 3HG1 VAL 73 3HG1 VAL 73 -3.536 -4.910 -0.664 553 1HG2 VAL 73 1HG2 VAL 73 -2.947 -1.303 -1.728 554 2HG2 VAL 73 2HG2 VAL 73 -4.700 -1.237 -1.902 555 3HG2 VAL 73 3HG2 VAL 73 -3.983 -1.742 -0.372 556 H VAL 74 H VAL 74 -5.577 -4.029 -4.549 557 HA VAL 74 HA VAL 74 -6.107 -1.406 -5.789 558 HB VAL 74 HB VAL 74 -7.145 -4.142 -6.560 559 1HG1 VAL 74 1HG1 VAL 74 -8.512 -1.956 -7.029 560 2HG1 VAL 74 2HG1 VAL 74 -7.330 -1.744 -8.320 561 3HG1 VAL 74 3HG1 VAL 74 -8.337 -3.191 -8.276 562 1HG2 VAL 74 1HG2 VAL 74 -4.827 -2.521 -7.479 563 2HG2 VAL 74 2HG2 VAL 74 -4.976 -4.266 -7.275 564 3HG2 VAL 74 3HG2 VAL 74 -5.711 -3.476 -8.670 565 H VAL 75 H VAL 75 -8.075 -0.399 -5.450 566 HA VAL 75 HA VAL 75 -9.943 -1.772 -3.645 567 HB VAL 75 HB VAL 75 -10.431 0.721 -2.906 568 1HG1 VAL 75 1HG1 VAL 75 -8.325 -1.164 -1.912 569 2HG1 VAL 75 2HG1 VAL 75 -8.662 0.355 -1.080 570 3HG1 VAL 75 3HG1 VAL 75 -9.933 -0.853 -1.260 571 1HG2 VAL 75 1HG2 VAL 75 -7.582 0.778 -3.863 572 2HG2 VAL 75 2HG2 VAL 75 -8.895 1.881 -4.270 573 3HG2 VAL 75 3HG2 VAL 75 -8.203 1.894 -2.648 574 H GLU 76 H GLU 76 -12.120 -0.749 -3.578 575 HA GLU 76 HA GLU 76 -13.144 -0.564 -6.243 576 1HB GLU 76 1HB GLU 76 -14.174 -1.391 -3.845 577 2HB GLU 76 2HB GLU 76 -14.945 0.179 -4.040 578 1HG GLU 76 1HG GLU 76 -16.070 -0.463 -5.955 579 2HG GLU 76 2HG GLU 76 -14.956 -1.788 -6.286 580 H ALA 77 H ALA 77 -12.657 1.698 -3.576 581 HA ALA 77 HA ALA 77 -12.684 3.958 -3.458 582 1HB ALA 77 1HB ALA 77 -11.017 3.914 -5.117 583 2HB ALA 77 2HB ALA 77 -12.191 3.593 -6.392 584 3HB ALA 77 3HB ALA 77 -12.163 5.166 -5.594 585 H GLU 78 H GLU 78 -14.231 5.427 -3.206 586 HA GLU 78 HA GLU 78 -16.399 6.173 -3.110 587 1HB GLU 78 1HB GLU 78 -17.038 7.354 -5.109 588 2HB GLU 78 2HB GLU 78 -15.300 7.499 -4.884 589 1HG GLU 78 1HG GLU 78 -15.002 5.653 -6.527 590 2HG GLU 78 2HG GLU 78 -16.738 5.709 -6.827 591 H GLY 79 H GLY 79 -16.248 3.276 -3.379 592 1HA GLY 79 1HA GLY 79 -18.854 2.538 -3.548 593 2HA GLY 79 2HA GLY 79 -17.540 1.454 -3.974 594 H THR 80 H THR 80 -16.908 1.280 -6.183 595 HA THR 80 HA THR 80 -18.068 2.644 -8.316 596 HB THR 80 HB THR 80 -17.173 0.954 -9.731 597 HG1 THR 80 HG1 THR 80 -17.486 -0.683 -7.477 598 1HG2 THR 80 1HG2 THR 80 -15.562 2.208 -8.036 599 2HG2 THR 80 2HG2 THR 80 -15.260 0.550 -7.518 600 3HG2 THR 80 3HG2 THR 80 -14.981 1.014 -9.197 601 H ALA 81 H ALA 81 -20.300 2.838 -7.845 602 HA ALA 81 HA ALA 81 -22.506 2.258 -7.875 603 1HB ALA 81 1HB ALA 81 -23.177 0.814 -9.732 604 2HB ALA 81 2HB ALA 81 -21.499 0.313 -9.949 605 3HB ALA 81 3HB ALA 81 -21.963 1.990 -10.236 No H/Q in entry = 605 Start of MODEL 16 1 H1 ALA 1 H1 ALA 1 -12.423 6.866 -9.396 2 H2 ALA 1 H2 ALA 1 -13.596 7.155 -10.615 3 H3 ALA 1 H3 ALA 1 -14.094 6.695 -9.041 4 HA ALA 1 HA ALA 1 -14.284 4.746 -10.068 5 1HB ALA 1 1HB ALA 1 -13.595 5.553 -12.252 6 2HB ALA 1 2HB ALA 1 -11.904 5.501 -11.758 7 3HB ALA 1 3HB ALA 1 -12.826 4.005 -11.899 8 H LEU 2 H LEU 2 -12.632 2.734 -10.347 9 HA LEU 2 HA LEU 2 -11.694 2.133 -7.823 10 1HB LEU 2 1HB LEU 2 -11.025 1.040 -10.536 11 2HB LEU 2 2HB LEU 2 -10.225 0.423 -9.105 12 HG LEU 2 HG LEU 2 -12.969 0.368 -8.514 13 1HD1 LEU 2 1HD1 LEU 2 -12.985 0.574 -11.151 14 2HD1 LEU 2 2HD1 LEU 2 -12.654 -1.155 -11.039 15 3HD1 LEU 2 3HD1 LEU 2 -14.104 -0.485 -10.291 16 1HD2 LEU 2 1HD2 LEU 2 -10.720 -1.457 -8.804 17 2HD2 LEU 2 2HD2 LEU 2 -12.019 -1.444 -7.613 18 3HD2 LEU 2 3HD2 LEU 2 -12.268 -2.210 -9.181 19 H VAL 3 H VAL 3 -9.336 1.474 -7.371 20 HA VAL 3 HA VAL 3 -7.422 3.406 -8.447 21 HB VAL 3 HB VAL 3 -8.279 3.209 -5.578 22 1HG1 VAL 3 1HG1 VAL 3 -5.873 2.749 -5.512 23 2HG1 VAL 3 2HG1 VAL 3 -5.571 4.210 -6.456 24 3HG1 VAL 3 3HG1 VAL 3 -6.248 4.336 -4.832 25 1HG2 VAL 3 1HG2 VAL 3 -7.912 5.332 -7.626 26 2HG2 VAL 3 2HG2 VAL 3 -9.251 5.054 -6.513 27 3HG2 VAL 3 3HG2 VAL 3 -7.746 5.760 -5.924 28 H GLU 4 H GLU 4 -5.174 2.874 -7.845 29 HA GLU 4 HA GLU 4 -4.746 0.103 -7.021 30 1HB GLU 4 1HB GLU 4 -3.225 1.036 -9.409 31 2HB GLU 4 2HB GLU 4 -3.686 -0.593 -8.941 32 1HG GLU 4 1HG GLU 4 -5.027 -0.263 -10.759 33 2HG GLU 4 2HG GLU 4 -6.099 0.247 -9.456 34 H LEU 5 H LEU 5 -3.589 0.561 -5.218 35 HA LEU 5 HA LEU 5 -1.714 2.677 -5.006 36 1HB LEU 5 1HB LEU 5 -2.387 0.272 -3.364 37 2HB LEU 5 2HB LEU 5 -0.905 1.143 -3.016 38 HG LEU 5 HG LEU 5 -2.500 2.018 -1.529 39 1HD1 LEU 5 1HD1 LEU 5 -1.144 3.697 -2.817 40 2HD1 LEU 5 2HD1 LEU 5 -2.569 3.965 -3.819 41 3HD1 LEU 5 3HD1 LEU 5 -2.628 4.315 -2.091 42 1HD2 LEU 5 1HD2 LEU 5 -4.387 1.109 -3.213 43 2HD2 LEU 5 2HD2 LEU 5 -4.714 2.240 -1.899 44 3HD2 LEU 5 3HD2 LEU 5 -4.489 2.838 -3.544 45 H LYS 6 H LYS 6 0.457 2.749 -5.390 46 HA LYS 6 HA LYS 6 1.772 0.245 -6.187 47 1HB LYS 6 1HB LYS 6 2.549 2.668 -7.699 48 2HB LYS 6 2HB LYS 6 2.445 0.995 -8.221 49 1HG LYS 6 1HG LYS 6 -0.184 1.640 -7.805 50 2HG LYS 6 2HG LYS 6 0.493 3.144 -8.431 51 1HD LYS 6 1HD LYS 6 1.527 1.747 -10.273 52 2HD LYS 6 2HD LYS 6 0.509 0.421 -9.711 53 1HE LYS 6 1HE LYS 6 -1.465 1.945 -10.010 54 2HE LYS 6 2HE LYS 6 -0.376 3.090 -10.792 55 1HZ LYS 6 1HZ LYS 6 -0.257 0.394 -11.831 56 2HZ LYS 6 2HZ LYS 6 -1.737 1.176 -12.078 57 3HZ LYS 6 3HZ LYS 6 -0.307 1.871 -12.655 58 H VAL 7 H VAL 7 2.391 0.756 -3.819 59 HA VAL 7 HA VAL 7 4.022 1.245 -2.313 60 HB VAL 7 HB VAL 7 5.715 1.712 -4.762 61 1HG1 VAL 7 1HG1 VAL 7 6.688 2.557 -2.663 62 2HG1 VAL 7 2HG1 VAL 7 6.523 0.943 -1.971 63 3HG1 VAL 7 3HG1 VAL 7 7.602 1.208 -3.340 64 1HG2 VAL 7 1HG2 VAL 7 4.595 -0.478 -4.778 65 2HG2 VAL 7 2HG2 VAL 7 6.347 -0.610 -4.620 66 3HG2 VAL 7 3HG2 VAL 7 5.315 -0.830 -3.207 67 HA PRO 8 HA PRO 8 3.758 5.643 -1.891 68 1HB PRO 8 1HB PRO 8 5.303 5.972 0.319 69 2HB PRO 8 2HB PRO 8 3.650 5.353 0.368 70 1HG PRO 8 1HG PRO 8 6.231 3.878 0.558 71 2HG PRO 8 2HG PRO 8 4.693 3.560 1.377 72 1HD PRO 8 1HD PRO 8 5.608 2.170 -0.809 73 2HD PRO 8 2HD PRO 8 3.899 2.305 -0.360 74 H ASP 9 H ASP 9 5.558 7.383 -0.966 75 HA ASP 9 HA ASP 9 7.650 7.310 -3.016 76 1HB ASP 9 1HB ASP 9 5.945 9.360 -1.857 77 2HB ASP 9 2HB ASP 9 7.641 9.840 -1.871 78 H ILE 10 H ILE 10 8.815 5.772 -1.532 79 HA ILE 10 HA ILE 10 9.849 6.656 0.945 80 HB ILE 10 HB ILE 10 11.670 4.869 0.427 81 1HG1 ILE 10 1HG1 ILE 10 11.147 3.263 -1.250 82 2HG1 ILE 10 2HG1 ILE 10 9.569 3.980 -1.548 83 1HG2 ILE 10 1HG2 ILE 10 9.652 4.737 1.960 84 2HG2 ILE 10 2HG2 ILE 10 8.831 3.899 0.639 85 3HG2 ILE 10 3HG2 ILE 10 10.287 3.206 1.358 86 1HD1 ILE 10 1HD1 ILE 10 12.087 5.507 -2.072 87 2HD1 ILE 10 2HD1 ILE 10 11.432 4.372 -3.253 88 3HD1 ILE 10 3HD1 ILE 10 10.474 5.760 -2.739 89 H GLY 11 H GLY 11 10.600 7.628 -2.205 90 1HA GLY 11 1HA GLY 11 12.365 9.601 -1.568 91 2HA GLY 11 2HA GLY 11 12.358 8.793 -3.127 92 H GLY 12 H GLY 12 13.513 6.580 -3.074 93 1HA GLY 12 1HA GLY 12 15.376 5.681 -1.370 94 2HA GLY 12 2HA GLY 12 16.177 7.095 -2.040 95 H HIS 13 H HIS 13 14.238 4.376 -3.284 96 HA HIS 13 HA HIS 13 15.236 4.250 -5.831 97 1HB HIS 13 1HB HIS 13 16.896 2.275 -5.474 98 2HB HIS 13 2HB HIS 13 17.464 3.924 -5.237 99 HD1 HIS 13 HD1 HIS 13 16.390 0.891 -3.258 100 HD2 HIS 13 HD2 HIS 13 18.413 4.480 -2.722 101 HE1 HIS 13 HE1 HIS 13 17.368 0.772 -0.944 102 HE2 HIS 13 HE2 HIS 13 18.669 2.913 -0.680 103 H GLU 14 H GLU 14 15.085 1.954 -6.778 104 HA GLU 14 HA GLU 14 12.566 0.885 -6.045 105 1HB GLU 14 1HB GLU 14 13.035 -0.834 -7.749 106 2HB GLU 14 2HB GLU 14 13.356 0.788 -8.346 107 1HG GLU 14 1HG GLU 14 15.741 -0.281 -7.195 108 2HG GLU 14 2HG GLU 14 15.071 -1.438 -8.344 109 H ASN 15 H ASN 15 12.448 -1.662 -5.890 110 HA ASN 15 HA ASN 15 12.527 -3.343 -4.340 111 1HB ASN 15 1HB ASN 15 14.902 -4.258 -4.042 112 2HB ASN 15 2HB ASN 15 14.270 -4.181 -5.683 113 1HD2 ASN 15 2HD2 ASN 15 16.389 -2.616 -3.366 114 2HD2 ASN 15 1HD2 ASN 15 17.386 -1.823 -4.532 115 H VAL 16 H VAL 16 11.720 -2.193 -2.550 116 HA VAL 16 HA VAL 16 13.770 -1.541 -0.534 117 HB VAL 16 HB VAL 16 12.321 0.157 0.403 118 1HG1 VAL 16 1HG1 VAL 16 13.056 0.317 -2.476 119 2HG1 VAL 16 2HG1 VAL 16 12.126 1.635 -1.765 120 3HG1 VAL 16 3HG1 VAL 16 13.699 1.203 -1.094 121 1HG2 VAL 16 1HG2 VAL 16 10.289 -1.191 -0.998 122 2HG2 VAL 16 2HG2 VAL 16 10.128 0.218 0.050 123 3HG2 VAL 16 3HG2 VAL 16 10.374 0.432 -1.684 124 H ASP 17 H ASP 17 13.072 -1.832 1.702 125 HA ASP 17 HA ASP 17 11.454 -4.243 1.950 126 1HB ASP 17 1HB ASP 17 13.817 -3.574 3.089 127 2HB ASP 17 2HB ASP 17 12.705 -3.064 4.357 128 H ILE 18 H ILE 18 9.447 -4.272 2.751 129 HA ILE 18 HA ILE 18 8.187 -1.807 3.503 130 HB ILE 18 HB ILE 18 7.177 -4.646 3.329 131 1HG1 ILE 18 1HG1 ILE 18 5.974 -2.454 1.767 132 2HG1 ILE 18 2HG1 ILE 18 7.647 -2.827 1.367 133 1HG2 ILE 18 1HG2 ILE 18 5.658 -2.173 4.151 134 2HG2 ILE 18 2HG2 ILE 18 4.908 -3.703 3.692 135 3HG2 ILE 18 3HG2 ILE 18 5.941 -3.620 5.119 136 1HD1 ILE 18 1HD1 ILE 18 6.107 -5.241 1.585 137 2HD1 ILE 18 2HD1 ILE 18 5.355 -4.119 0.451 138 3HD1 ILE 18 3HD1 ILE 18 7.033 -4.615 0.221 139 H ILE 19 H ILE 19 6.937 -1.615 5.508 140 HA ILE 19 HA ILE 19 8.202 -3.043 7.748 141 HB ILE 19 HB ILE 19 9.212 -1.100 8.263 142 1HG1 ILE 19 1HG1 ILE 19 6.403 -0.284 9.033 143 2HG1 ILE 19 2HG1 ILE 19 7.560 -1.142 10.046 144 1HG2 ILE 19 1HG2 ILE 19 7.183 0.351 6.575 145 2HG2 ILE 19 2HG2 ILE 19 8.553 1.120 7.378 146 3HG2 ILE 19 3HG2 ILE 19 8.830 -0.091 6.127 147 1HD1 ILE 19 1HD1 ILE 19 8.894 1.163 9.295 148 2HD1 ILE 19 2HD1 ILE 19 7.238 1.689 9.593 149 3HD1 ILE 19 3HD1 ILE 19 8.132 0.840 10.853 150 H ALA 20 H ALA 20 5.390 -1.239 6.604 151 HA ALA 20 HA ALA 20 3.768 -2.612 8.644 152 1HB ALA 20 1HB ALA 20 3.384 0.079 7.358 153 2HB ALA 20 2HB ALA 20 3.722 -0.262 9.054 154 3HB ALA 20 3HB ALA 20 2.165 -0.715 8.355 155 H VAL 21 H VAL 21 1.594 -3.207 8.004 156 HA VAL 21 HA VAL 21 0.933 -3.213 5.201 157 HB VAL 21 HB VAL 21 2.444 -5.139 5.311 158 1HG1 VAL 21 1HG1 VAL 21 1.776 -5.557 7.790 159 2HG1 VAL 21 2HG1 VAL 21 0.517 -6.573 7.088 160 3HG1 VAL 21 3HG1 VAL 21 2.215 -6.921 6.762 161 1HG2 VAL 21 1HG2 VAL 21 -0.040 -5.055 4.170 162 2HG2 VAL 21 2HG2 VAL 21 1.179 -6.292 3.863 163 3HG2 VAL 21 3HG2 VAL 21 -0.089 -6.579 5.055 164 H GLU 22 H GLU 22 -1.151 -2.707 5.207 165 HA GLU 22 HA GLU 22 -2.943 -4.101 7.069 166 1HB GLU 22 1HB GLU 22 -3.110 -1.143 6.474 167 2HB GLU 22 2HB GLU 22 -4.149 -2.057 7.559 168 1HG GLU 22 1HG GLU 22 -1.551 -2.525 8.461 169 2HG GLU 22 2HG GLU 22 -1.612 -0.808 8.069 170 H VAL 23 H VAL 23 -3.189 -5.327 5.000 171 HA VAL 23 HA VAL 23 -5.445 -4.222 3.522 172 HB VAL 23 HB VAL 23 -4.331 -5.200 1.381 173 1HG1 VAL 23 1HG1 VAL 23 -3.850 -2.564 2.692 174 2HG1 VAL 23 2HG1 VAL 23 -3.067 -2.920 1.152 175 3HG1 VAL 23 3HG1 VAL 23 -4.826 -2.957 1.276 176 1HG2 VAL 23 1HG2 VAL 23 -2.386 -6.140 2.598 177 2HG2 VAL 23 2HG2 VAL 23 -1.926 -5.034 1.304 178 3HG2 VAL 23 3HG2 VAL 23 -1.874 -4.498 2.983 179 H ASN 24 H ASN 24 -6.993 -5.687 3.582 180 HA ASN 24 HA ASN 24 -6.257 -8.543 3.542 181 1HB ASN 24 1HB ASN 24 -7.425 -7.329 5.626 182 2HB ASN 24 2HB ASN 24 -8.863 -7.713 4.686 183 1HD2 ASN 24 2HD2 ASN 24 -8.110 -8.771 7.242 184 2HD2 ASN 24 1HD2 ASN 24 -7.941 -10.479 7.052 185 H VAL 25 H VAL 25 -7.082 -6.502 1.412 186 HA VAL 25 HA VAL 25 -8.206 -6.546 -0.558 187 HB VAL 25 HB VAL 25 -8.826 -9.378 0.277 188 1HG1 VAL 25 1HG1 VAL 25 -9.480 -7.878 -2.233 189 2HG1 VAL 25 2HG1 VAL 25 -9.228 -9.623 -2.260 190 3HG1 VAL 25 3HG1 VAL 25 -10.513 -8.932 -1.269 191 1HG2 VAL 25 1HG2 VAL 25 -6.421 -8.485 -0.266 192 2HG2 VAL 25 2HG2 VAL 25 -6.966 -10.047 -0.879 193 3HG2 VAL 25 3HG2 VAL 25 -6.978 -8.632 -1.933 194 H GLY 26 H GLY 26 -10.487 -8.750 0.989 195 1HA GLY 26 1HA GLY 26 -12.754 -8.531 1.306 196 2HA GLY 26 2HA GLY 26 -12.679 -7.031 0.391 197 H ASP 27 H ASP 27 -11.338 -5.283 1.706 198 HA ASP 27 HA ASP 27 -12.556 -5.217 4.368 199 1HB ASP 27 1HB ASP 27 -9.857 -5.420 3.936 200 2HB ASP 27 2HB ASP 27 -10.070 -3.679 4.092 201 H THR 28 H THR 28 -12.798 -2.977 5.232 202 HA THR 28 HA THR 28 -13.810 -1.245 3.132 203 HB THR 28 HB THR 28 -13.952 -1.056 6.146 204 HG1 THR 28 HG1 THR 28 -15.939 -1.858 5.919 205 1HG2 THR 28 1HG2 THR 28 -15.107 0.736 4.038 206 2HG2 THR 28 2HG2 THR 28 -15.793 0.603 5.658 207 3HG2 THR 28 3HG2 THR 28 -14.138 1.173 5.446 208 H ILE 29 H ILE 29 -12.648 0.334 2.271 209 HA ILE 29 HA ILE 29 -10.425 1.464 3.843 210 HB ILE 29 HB ILE 29 -9.404 2.070 1.645 211 1HG1 ILE 29 1HG1 ILE 29 -10.820 0.058 0.114 212 2HG1 ILE 29 2HG1 ILE 29 -11.916 1.324 0.657 213 1HG2 ILE 29 1HG2 ILE 29 -8.710 0.090 2.934 214 2HG2 ILE 29 2HG2 ILE 29 -9.885 -0.879 2.045 215 3HG2 ILE 29 3HG2 ILE 29 -8.528 -0.142 1.195 216 1HD1 ILE 29 1HD1 ILE 29 -9.377 1.738 -0.902 217 2HD1 ILE 29 2HD1 ILE 29 -11.019 1.816 -1.541 218 3HD1 ILE 29 3HD1 ILE 29 -10.475 3.007 -0.359 219 H ALA 30 H ALA 30 -10.282 3.635 4.082 220 HA ALA 30 HA ALA 30 -12.304 5.285 2.713 221 1HB ALA 30 1HB ALA 30 -11.321 5.873 5.488 222 2HB ALA 30 2HB ALA 30 -12.753 6.494 4.668 223 3HB ALA 30 3HB ALA 30 -12.699 4.812 5.193 224 H VAL 31 H VAL 31 -11.535 7.763 3.548 225 HA VAL 31 HA VAL 31 -9.041 8.102 2.084 226 HB VAL 31 HB VAL 31 -10.857 10.257 3.165 227 1HG1 VAL 31 1HG1 VAL 31 -8.312 10.403 2.078 228 2HG1 VAL 31 2HG1 VAL 31 -9.382 10.822 0.739 229 3HG1 VAL 31 3HG1 VAL 31 -9.461 11.729 2.249 230 1HG2 VAL 31 1HG2 VAL 31 -11.321 8.394 1.043 231 2HG2 VAL 31 2HG2 VAL 31 -12.354 9.701 1.623 232 3HG2 VAL 31 3HG2 VAL 31 -11.149 10.017 0.375 233 H ASP 32 H ASP 32 -8.618 6.914 4.545 234 HA ASP 32 HA ASP 32 -6.566 8.378 5.643 235 1HB ASP 32 1HB ASP 32 -7.727 8.983 7.888 236 2HB ASP 32 2HB ASP 32 -7.921 10.067 6.513 237 H ASP 33 H ASP 33 -6.225 5.970 5.264 238 HA ASP 33 HA ASP 33 -6.369 4.650 7.855 239 1HB ASP 33 1HB ASP 33 -7.053 2.491 6.568 240 2HB ASP 33 2HB ASP 33 -8.299 3.650 7.024 241 H THR 34 H THR 34 -4.220 4.539 8.153 242 HA THR 34 HA THR 34 -2.221 4.311 6.300 243 HB THR 34 HB THR 34 -1.087 2.947 8.274 244 HG1 THR 34 HG1 THR 34 -2.170 2.999 10.077 245 1HG2 THR 34 1HG2 THR 34 -0.641 5.313 7.467 246 2HG2 THR 34 2HG2 THR 34 -1.738 5.822 8.752 247 3HG2 THR 34 3HG2 THR 34 -0.265 4.936 9.150 248 H LEU 35 H LEU 35 -1.808 2.896 4.800 249 HA LEU 35 HA LEU 35 -2.798 0.161 5.034 250 1HB LEU 35 1HB LEU 35 -1.465 1.587 2.725 251 2HB LEU 35 2HB LEU 35 -2.114 -0.041 2.669 252 HG LEU 35 HG LEU 35 -3.637 2.542 2.931 253 1HD1 LEU 35 1HD1 LEU 35 -2.832 1.425 0.694 254 2HD1 LEU 35 2HD1 LEU 35 -4.220 0.375 0.977 255 3HD1 LEU 35 3HD1 LEU 35 -4.449 2.118 0.834 256 1HD2 LEU 35 1HD2 LEU 35 -4.579 0.936 4.509 257 2HD2 LEU 35 2HD2 LEU 35 -5.665 1.196 3.143 258 3HD2 LEU 35 3HD2 LEU 35 -4.688 -0.270 3.227 259 H ILE 36 H ILE 36 0.187 1.992 4.770 260 HA ILE 36 HA ILE 36 1.647 -0.181 5.973 261 HB ILE 36 HB ILE 36 3.274 -0.553 4.299 262 1HG1 ILE 36 1HG1 ILE 36 3.337 1.873 3.519 263 2HG1 ILE 36 2HG1 ILE 36 3.516 0.657 2.262 264 1HG2 ILE 36 1HG2 ILE 36 1.163 -1.750 3.993 265 2HG2 ILE 36 2HG2 ILE 36 0.611 -0.483 2.901 266 3HG2 ILE 36 3HG2 ILE 36 2.002 -1.478 2.469 267 1HD1 ILE 36 1HD1 ILE 36 0.935 2.013 2.933 268 2HD1 ILE 36 2HD1 ILE 36 2.053 2.556 1.681 269 3HD1 ILE 36 3HD1 ILE 36 1.280 0.978 1.549 270 H THR 37 H THR 37 4.227 0.757 5.316 271 HA THR 37 HA THR 37 4.444 3.550 5.894 272 HB THR 37 HB THR 37 5.210 1.553 8.033 273 HG1 THR 37 HG1 THR 37 3.177 3.488 7.823 274 1HG2 THR 37 1HG2 THR 37 5.863 4.436 7.706 275 2HG2 THR 37 2HG2 THR 37 5.566 3.790 9.321 276 3HG2 THR 37 3HG2 THR 37 6.855 3.114 8.322 277 H LEU 38 H LEU 38 5.294 1.871 3.882 278 HA LEU 38 HA LEU 38 7.622 0.644 3.723 279 1HB LEU 38 1HB LEU 38 6.078 1.678 1.866 280 2HB LEU 38 2HB LEU 38 7.326 2.912 1.822 281 HG LEU 38 HG LEU 38 8.932 0.833 1.621 282 1HD1 LEU 38 1HD1 LEU 38 6.875 -0.681 1.889 283 2HD1 LEU 38 2HD1 LEU 38 6.530 -0.264 0.211 284 3HD1 LEU 38 3HD1 LEU 38 8.043 -1.070 0.625 285 1HD2 LEU 38 1HD2 LEU 38 7.466 2.461 -0.326 286 2HD2 LEU 38 2HD2 LEU 38 9.193 2.142 -0.179 287 3HD2 LEU 38 3HD2 LEU 38 8.149 0.971 -0.976 288 H GLU 39 H GLU 39 9.817 1.082 3.381 289 HA GLU 39 HA GLU 39 10.961 3.657 3.720 290 1HB GLU 39 1HB GLU 39 10.366 3.439 6.019 291 2HB GLU 39 2HB GLU 39 10.957 1.784 6.083 292 1HG GLU 39 1HG GLU 39 13.251 2.655 5.690 293 2HG GLU 39 2HG GLU 39 12.602 4.289 5.812 294 H THR 40 H THR 40 13.302 3.598 3.670 295 HA THR 40 HA THR 40 14.372 1.024 2.713 296 HB THR 40 HB THR 40 15.525 2.080 0.970 297 HG1 THR 40 HG1 THR 40 15.634 4.411 0.870 298 1HG2 THR 40 1HG2 THR 40 13.096 2.069 0.539 299 2HG2 THR 40 2HG2 THR 40 13.013 3.714 1.164 300 3HG2 THR 40 3HG2 THR 40 13.949 3.372 -0.292 301 H ASP 41 H ASP 41 15.421 4.241 3.779 302 HA ASP 41 HA ASP 41 16.790 3.479 6.054 303 1HB ASP 41 1HB ASP 41 18.250 2.900 3.593 304 2HB ASP 41 2HB ASP 41 19.148 3.957 4.677 305 H LYS 42 H LYS 42 16.697 5.586 3.254 306 HA LYS 42 HA LYS 42 17.917 7.801 4.650 307 1HB LYS 42 1HB LYS 42 16.912 7.284 1.905 308 2HB LYS 42 2HB LYS 42 16.903 8.956 2.450 309 1HG LYS 42 1HG LYS 42 19.010 9.038 1.751 310 2HG LYS 42 2HG LYS 42 19.405 8.082 3.181 311 1HD LYS 42 1HD LYS 42 19.103 6.025 1.870 312 2HD LYS 42 2HD LYS 42 18.748 6.999 0.442 313 1HE LYS 42 1HE LYS 42 20.969 6.637 0.091 314 2HE LYS 42 2HE LYS 42 21.075 8.098 1.072 315 1HZ LYS 42 1HZ LYS 42 21.153 6.373 3.008 316 2HZ LYS 42 2HZ LYS 42 21.695 5.324 1.798 317 3HZ LYS 42 3HZ LYS 42 22.554 6.741 2.134 318 H ALA 43 H ALA 43 14.683 6.737 3.775 319 HA ALA 43 HA ALA 43 13.544 8.543 5.720 320 1HB ALA 43 1HB ALA 43 13.624 9.309 2.981 321 2HB ALA 43 2HB ALA 43 12.886 10.153 4.343 322 3HB ALA 43 3HB ALA 43 11.948 8.977 3.421 323 H THR 44 H THR 44 11.285 8.128 6.132 324 HA THR 44 HA THR 44 10.454 5.435 5.267 325 HB THR 44 HB THR 44 9.553 5.017 7.382 326 HG1 THR 44 HG1 THR 44 9.032 6.599 8.841 327 1HG2 THR 44 1HG2 THR 44 12.166 5.590 7.314 328 2HG2 THR 44 2HG2 THR 44 11.629 6.765 8.515 329 3HG2 THR 44 3HG2 THR 44 11.322 5.046 8.765 330 H MET 45 H MET 45 8.731 5.415 3.985 331 HA MET 45 HA MET 45 6.852 7.675 4.152 332 1HB MET 45 1HB MET 45 8.258 6.711 1.959 333 2HB MET 45 2HB MET 45 6.632 6.087 1.733 334 1HG MET 45 1HG MET 45 6.775 8.176 0.614 335 2HG MET 45 2HG MET 45 5.774 8.401 2.047 336 1HE MET 45 1HE MET 45 5.694 10.350 2.844 337 2HE MET 45 2HE MET 45 6.782 10.279 4.231 338 3HE MET 45 3HE MET 45 6.934 11.585 3.056 339 H ASP 46 H ASP 46 4.689 7.327 4.254 340 HA ASP 46 HA ASP 46 3.783 4.536 4.427 341 1HB ASP 46 1HB ASP 46 2.331 5.108 6.285 342 2HB ASP 46 2HB ASP 46 3.987 5.549 6.689 343 H VAL 47 H VAL 47 1.263 4.534 4.437 344 HA VAL 47 HA VAL 47 0.213 6.552 2.601 345 HB VAL 47 HB VAL 47 0.195 3.580 2.077 346 1HG1 VAL 47 1HG1 VAL 47 -1.804 5.528 1.409 347 2HG1 VAL 47 2HG1 VAL 47 -1.021 4.954 -0.065 348 3HG1 VAL 47 3HG1 VAL 47 -1.766 3.802 1.043 349 1HG2 VAL 47 1HG2 VAL 47 1.423 5.956 0.733 350 2HG2 VAL 47 2HG2 VAL 47 2.171 4.432 1.209 351 3HG2 VAL 47 3HG2 VAL 47 1.077 4.485 -0.174 352 HA PRO 48 HA PRO 48 -3.179 5.750 5.444 353 1HB PRO 48 1HB PRO 48 -4.391 8.104 5.192 354 2HB PRO 48 2HB PRO 48 -2.827 7.979 6.004 355 1HG PRO 48 1HG PRO 48 -3.471 8.989 3.281 356 2HG PRO 48 2HG PRO 48 -2.219 9.525 4.411 357 1HD PRO 48 1HD PRO 48 -1.884 7.769 2.222 358 2HD PRO 48 2HD PRO 48 -0.703 8.104 3.503 359 H ALA 49 H ALA 49 -3.211 4.885 2.569 360 HA ALA 49 HA ALA 49 -4.676 4.288 0.926 361 1HB ALA 49 1HB ALA 49 -6.369 3.013 1.707 362 2HB ALA 49 2HB ALA 49 -5.577 3.308 3.255 363 3HB ALA 49 3HB ALA 49 -6.972 4.276 2.780 364 H GLU 50 H GLU 50 -4.883 5.983 -0.449 365 HA GLU 50 HA GLU 50 -6.693 8.164 0.205 366 1HB GLU 50 1HB GLU 50 -4.307 8.039 -1.201 367 2HB GLU 50 2HB GLU 50 -5.517 8.222 -2.461 368 1HG GLU 50 1HG GLU 50 -5.141 10.038 -0.091 369 2HG GLU 50 2HG GLU 50 -4.652 10.374 -1.751 370 H VAL 51 H VAL 51 -8.415 6.414 0.165 371 HA VAL 51 HA VAL 51 -9.978 6.767 -2.181 372 HB VAL 51 HB VAL 51 -10.119 4.129 -2.465 373 1HG1 VAL 51 1HG1 VAL 51 -9.264 6.188 -3.981 374 2HG1 VAL 51 2HG1 VAL 51 -7.782 5.238 -3.866 375 3HG1 VAL 51 3HG1 VAL 51 -9.253 4.506 -4.507 376 1HG2 VAL 51 1HG2 VAL 51 -7.320 4.632 -1.470 377 2HG2 VAL 51 2HG2 VAL 51 -8.496 3.469 -0.859 378 3HG2 VAL 51 3HG2 VAL 51 -7.760 3.227 -2.442 379 H ALA 52 H ALA 52 -12.111 5.985 -1.959 380 HA ALA 52 HA ALA 52 -12.775 5.020 0.749 381 1HB ALA 52 1HB ALA 52 -14.439 6.844 -0.961 382 2HB ALA 52 2HB ALA 52 -14.773 6.338 0.693 383 3HB ALA 52 3HB ALA 52 -13.391 7.380 0.353 384 H GLY 53 H GLY 53 -12.624 2.877 -0.277 385 1HA GLY 53 1HA GLY 53 -13.992 1.856 -2.367 386 2HA GLY 53 2HA GLY 53 -15.250 2.054 -1.161 387 H VAL 54 H VAL 54 -13.365 -0.182 -2.481 388 HA VAL 54 HA VAL 54 -12.720 -1.626 -0.019 389 HB VAL 54 HB VAL 54 -14.497 -2.744 -2.193 390 1HG1 VAL 54 1HG1 VAL 54 -12.923 -4.002 -0.055 391 2HG1 VAL 54 2HG1 VAL 54 -14.608 -4.516 -0.131 392 3HG1 VAL 54 3HG1 VAL 54 -13.569 -4.689 -1.545 393 1HG2 VAL 54 1HG2 VAL 54 -15.054 -1.895 0.642 394 2HG2 VAL 54 2HG2 VAL 54 -15.797 -1.295 -0.840 395 3HG2 VAL 54 3HG2 VAL 54 -16.137 -2.934 -0.285 396 H VAL 55 H VAL 55 -10.976 -2.983 -0.214 397 HA VAL 55 HA VAL 55 -9.438 -2.788 -2.642 398 HB VAL 55 HB VAL 55 -8.823 -4.382 -0.153 399 1HG1 VAL 55 1HG1 VAL 55 -7.624 -5.199 -2.131 400 2HG1 VAL 55 2HG1 VAL 55 -7.043 -3.564 -2.453 401 3HG1 VAL 55 3HG1 VAL 55 -6.525 -4.412 -0.996 402 1HG2 VAL 55 1HG2 VAL 55 -9.041 -1.746 -0.142 403 2HG2 VAL 55 2HG2 VAL 55 -7.752 -2.571 0.735 404 3HG2 VAL 55 3HG2 VAL 55 -7.424 -1.851 -0.841 405 H LYS 56 H LYS 56 -8.708 -4.500 -3.910 406 HA LYS 56 HA LYS 56 -10.350 -6.947 -3.756 407 1HB LYS 56 1HB LYS 56 -9.248 -6.498 -6.391 408 2HB LYS 56 2HB LYS 56 -10.925 -6.749 -5.920 409 1HG LYS 56 1HG LYS 56 -9.625 -4.072 -5.603 410 2HG LYS 56 2HG LYS 56 -10.286 -4.587 -7.155 411 1HD LYS 56 1HD LYS 56 -11.790 -4.384 -4.547 412 2HD LYS 56 2HD LYS 56 -11.931 -3.290 -5.923 413 1HE LYS 56 1HE LYS 56 -12.545 -5.424 -7.250 414 2HE LYS 56 2HE LYS 56 -12.847 -6.130 -5.663 415 1HZ LYS 56 1HZ LYS 56 -14.213 -3.895 -5.410 416 2HZ LYS 56 2HZ LYS 56 -14.326 -4.059 -7.090 417 3HZ LYS 56 3HZ LYS 56 -14.892 -5.292 -6.078 418 H GLU 57 H GLU 57 -7.302 -5.510 -4.788 419 HA GLU 57 HA GLU 57 -6.083 -8.145 -4.605 420 1HB GLU 57 1HB GLU 57 -5.644 -5.831 -6.364 421 2HB GLU 57 2HB GLU 57 -4.179 -6.636 -5.816 422 1HG GLU 57 1HG GLU 57 -6.483 -8.046 -7.138 423 2HG GLU 57 2HG GLU 57 -5.063 -7.447 -7.993 424 H VAL 58 H VAL 58 -3.765 -8.148 -3.907 425 HA VAL 58 HA VAL 58 -2.899 -6.041 -2.132 426 HB VAL 58 HB VAL 58 -4.420 -7.219 -0.640 427 1HG1 VAL 58 1HG1 VAL 58 -3.552 -9.494 -2.037 428 2HG1 VAL 58 2HG1 VAL 58 -3.040 -9.715 -0.364 429 3HG1 VAL 58 3HG1 VAL 58 -4.738 -9.413 -0.734 430 1HG2 VAL 58 1HG2 VAL 58 -1.961 -6.473 -0.014 431 2HG2 VAL 58 2HG2 VAL 58 -3.008 -7.284 1.151 432 3HG2 VAL 58 3HG2 VAL 58 -1.774 -8.200 0.287 433 H LYS 59 H LYS 59 -0.811 -5.886 -2.549 434 HA LYS 59 HA LYS 59 0.773 -8.341 -2.873 435 1HB LYS 59 1HB LYS 59 1.419 -5.931 -4.520 436 2HB LYS 59 2HB LYS 59 1.781 -7.624 -4.833 437 1HG LYS 59 1HG LYS 59 -0.942 -7.629 -4.895 438 2HG LYS 59 2HG LYS 59 -0.569 -6.036 -5.551 439 1HD LYS 59 1HD LYS 59 1.114 -7.286 -7.048 440 2HD LYS 59 2HD LYS 59 0.211 -8.733 -6.594 441 1HE LYS 59 1HE LYS 59 -1.632 -8.123 -7.778 442 2HE LYS 59 2HE LYS 59 -1.372 -6.400 -7.506 443 1HZ LYS 59 1HZ LYS 59 0.724 -7.385 -9.089 444 2HZ LYS 59 2HZ LYS 59 -0.734 -7.904 -9.771 445 3HZ LYS 59 3HZ LYS 59 -0.465 -6.256 -9.505 446 H VAL 60 H VAL 60 1.128 -7.729 -0.557 447 HA VAL 60 HA VAL 60 3.672 -6.577 -0.228 448 HB VAL 60 HB VAL 60 2.907 -4.410 -0.440 449 1HG1 VAL 60 1HG1 VAL 60 0.358 -5.232 0.940 450 2HG1 VAL 60 2HG1 VAL 60 0.734 -3.593 0.410 451 3HG1 VAL 60 3HG1 VAL 60 0.575 -4.890 -0.777 452 1HG2 VAL 60 1HG2 VAL 60 3.993 -4.624 1.744 453 2HG2 VAL 60 2HG2 VAL 60 2.759 -3.364 1.757 454 3HG2 VAL 60 3HG2 VAL 60 2.428 -4.932 2.494 455 H LYS 61 H LYS 61 4.339 -6.509 2.044 456 HA LYS 61 HA LYS 61 2.645 -7.573 4.082 457 1HB LYS 61 1HB LYS 61 3.567 -9.511 2.446 458 2HB LYS 61 2HB LYS 61 4.902 -9.422 3.586 459 1HG LYS 61 1HG LYS 61 3.742 -10.790 4.886 460 2HG LYS 61 2HG LYS 61 2.645 -9.441 5.191 461 1HD LYS 61 1HD LYS 61 2.211 -10.983 2.701 462 2HD LYS 61 2HD LYS 61 1.825 -11.797 4.219 463 1HE LYS 61 1HE LYS 61 0.755 -9.234 4.474 464 2HE LYS 61 2HE LYS 61 0.382 -9.723 2.822 465 1HZ LYS 61 1HZ LYS 61 -0.092 -11.794 4.754 466 2HZ LYS 61 2HZ LYS 61 -1.034 -10.414 5.023 467 3HZ LYS 61 3HZ LYS 61 -1.102 -11.206 3.531 468 H VAL 62 H VAL 62 4.658 -8.726 5.688 469 HA VAL 62 HA VAL 62 6.282 -6.340 6.262 470 HB VAL 62 HB VAL 62 5.424 -8.551 8.135 471 1HG1 VAL 62 1HG1 VAL 62 7.461 -6.499 8.337 472 2HG1 VAL 62 2HG1 VAL 62 6.263 -6.371 9.624 473 3HG1 VAL 62 3HG1 VAL 62 7.143 -7.881 9.385 474 1HG2 VAL 62 1HG2 VAL 62 4.084 -6.194 7.235 475 2HG2 VAL 62 2HG2 VAL 62 3.531 -7.417 8.377 476 3HG2 VAL 62 3HG2 VAL 62 4.459 -6.031 8.950 477 H GLY 63 H GLY 63 7.735 -7.263 4.539 478 1HA GLY 63 1HA GLY 63 9.363 -9.509 5.502 479 2HA GLY 63 2HA GLY 63 10.149 -7.965 5.215 480 H ASP 64 H ASP 64 8.832 -7.161 2.893 481 HA ASP 64 HA ASP 64 9.937 -9.097 0.985 482 1HB ASP 64 1HB ASP 64 7.997 -8.573 -0.548 483 2HB ASP 64 2HB ASP 64 7.596 -9.541 0.867 484 H LYS 65 H LYS 65 10.018 -8.043 -1.283 485 HA LYS 65 HA LYS 65 11.236 -5.403 -0.940 486 1HB LYS 65 1HB LYS 65 11.399 -7.367 -3.232 487 2HB LYS 65 2HB LYS 65 12.242 -5.827 -3.164 488 1HG LYS 65 1HG LYS 65 12.720 -7.528 -0.840 489 2HG LYS 65 2HG LYS 65 13.258 -8.228 -2.367 490 1HD LYS 65 1HD LYS 65 14.327 -5.910 -2.782 491 2HD LYS 65 2HD LYS 65 14.129 -5.685 -1.043 492 1HE LYS 65 1HE LYS 65 15.496 -7.582 -0.568 493 2HE LYS 65 2HE LYS 65 15.528 -8.056 -2.266 494 1HZ LYS 65 1HZ LYS 65 16.584 -5.434 -1.434 495 2HZ LYS 65 2HZ LYS 65 17.537 -6.823 -1.278 496 3HZ LYS 65 3HZ LYS 65 16.970 -6.353 -2.801 497 H ILE 66 H ILE 66 10.398 -3.595 -1.802 498 HA ILE 66 HA ILE 66 8.338 -3.826 -3.865 499 HB ILE 66 HB ILE 66 7.778 -3.245 -1.137 500 1HG1 ILE 66 1HG1 ILE 66 5.445 -3.165 -1.988 501 2HG1 ILE 66 2HG1 ILE 66 6.082 -3.159 -3.631 502 1HG2 ILE 66 1HG2 ILE 66 7.435 -0.850 -2.912 503 2HG2 ILE 66 2HG2 ILE 66 6.405 -1.132 -1.512 504 3HG2 ILE 66 3HG2 ILE 66 8.146 -0.942 -1.303 505 1HD1 ILE 66 1HD1 ILE 66 7.119 -5.322 -1.975 506 2HD1 ILE 66 2HD1 ILE 66 5.372 -5.373 -2.220 507 3HD1 ILE 66 3HD1 ILE 66 6.458 -5.354 -3.609 508 H SER 67 H SER 67 8.046 -1.936 -5.145 509 HA SER 67 HA SER 67 9.982 0.223 -4.739 510 1HB SER 67 1HB SER 67 9.669 -0.878 -7.505 511 2HB SER 67 2HB SER 67 11.021 0.006 -6.799 512 HG SER 67 HG SER 67 10.312 -2.706 -6.462 513 H GLU 68 H GLU 68 9.312 2.209 -5.422 514 HA GLU 68 HA GLU 68 6.721 2.958 -5.541 515 1HB GLU 68 1HB GLU 68 8.772 4.282 -7.306 516 2HB GLU 68 2HB GLU 68 7.401 5.024 -6.495 517 1HG GLU 68 1HG GLU 68 8.854 5.645 -4.938 518 2HG GLU 68 2HG GLU 68 8.832 3.963 -4.410 519 H GLY 69 H GLY 69 5.369 1.590 -6.684 520 1HA GLY 69 1HA GLY 69 5.632 1.743 -9.622 521 2HA GLY 69 2HA GLY 69 4.090 1.759 -8.787 522 H GLY 70 H GLY 70 4.070 -0.274 -7.101 523 1HA GLY 70 1HA GLY 70 4.925 -2.618 -7.019 524 2HA GLY 70 2HA GLY 70 4.773 -2.613 -8.769 525 H LEU 71 H LEU 71 2.189 -0.921 -8.099 526 HA LEU 71 HA LEU 71 -0.030 -1.313 -7.757 527 1HB LEU 71 1HB LEU 71 0.243 -2.390 -9.910 528 2HB LEU 71 2HB LEU 71 0.776 -3.871 -9.139 529 HG LEU 71 HG LEU 71 -1.382 -4.413 -8.400 530 1HD1 LEU 71 1HD1 LEU 71 -1.829 -1.505 -8.564 531 2HD1 LEU 71 2HD1 LEU 71 -3.211 -2.524 -8.965 532 3HD1 LEU 71 3HD1 LEU 71 -2.424 -2.684 -7.395 533 1HD2 LEU 71 1HD2 LEU 71 -1.104 -3.472 -11.151 534 2HD2 LEU 71 2HD2 LEU 71 -1.725 -5.001 -10.529 535 3HD2 LEU 71 3HD2 LEU 71 -2.774 -3.584 -10.597 536 H ILE 72 H ILE 72 0.996 -1.539 -5.424 537 HA ILE 72 HA ILE 72 1.078 -3.954 -4.087 538 HB ILE 72 HB ILE 72 0.697 -1.126 -3.297 539 1HG1 ILE 72 1HG1 ILE 72 2.443 -3.156 -1.964 540 2HG1 ILE 72 2HG1 ILE 72 2.845 -2.580 -3.580 541 1HG2 ILE 72 1HG2 ILE 72 -0.296 -3.381 -1.630 542 2HG2 ILE 72 2HG2 ILE 72 0.618 -2.104 -0.828 543 3HG2 ILE 72 3HG2 ILE 72 -0.850 -1.710 -1.720 544 1HD1 ILE 72 1HD1 ILE 72 2.247 -0.533 -1.541 545 2HD1 ILE 72 2HD1 ILE 72 3.755 -1.431 -1.372 546 3HD1 ILE 72 3HD1 ILE 72 3.425 -0.532 -2.850 547 H VAL 73 H VAL 73 -1.672 -1.684 -3.778 548 HA VAL 73 HA VAL 73 -3.461 -4.017 -3.847 549 HB VAL 73 HB VAL 73 -4.799 -3.141 -2.040 550 1HG1 VAL 73 1HG1 VAL 73 -2.269 -4.227 -1.771 551 2HG1 VAL 73 2HG1 VAL 73 -2.278 -2.878 -0.633 552 3HG1 VAL 73 3HG1 VAL 73 -3.510 -4.135 -0.520 553 1HG2 VAL 73 1HG2 VAL 73 -4.392 -0.746 -2.488 554 2HG2 VAL 73 2HG2 VAL 73 -4.193 -1.163 -0.786 555 3HG2 VAL 73 3HG2 VAL 73 -2.775 -0.916 -1.805 556 H VAL 74 H VAL 74 -5.574 -3.646 -4.546 557 HA VAL 74 HA VAL 74 -6.009 -1.084 -5.955 558 HB VAL 74 HB VAL 74 -7.028 -3.784 -6.855 559 1HG1 VAL 74 1HG1 VAL 74 -8.159 -1.553 -7.511 560 2HG1 VAL 74 2HG1 VAL 74 -6.752 -1.335 -8.549 561 3HG1 VAL 74 3HG1 VAL 74 -7.803 -2.732 -8.772 562 1HG2 VAL 74 1HG2 VAL 74 -4.455 -2.408 -7.389 563 2HG2 VAL 74 2HG2 VAL 74 -4.817 -4.131 -7.285 564 3HG2 VAL 74 3HG2 VAL 74 -5.242 -3.225 -8.738 565 H VAL 75 H VAL 75 -7.953 -0.094 -5.569 566 HA VAL 75 HA VAL 75 -9.912 -1.612 -3.999 567 HB VAL 75 HB VAL 75 -10.492 0.494 -2.868 568 1HG1 VAL 75 1HG1 VAL 75 -8.265 -1.156 -2.447 569 2HG1 VAL 75 2HG1 VAL 75 -7.724 0.494 -2.137 570 3HG1 VAL 75 3HG1 VAL 75 -9.108 -0.159 -1.260 571 1HG2 VAL 75 1HG2 VAL 75 -9.422 1.832 -4.835 572 2HG2 VAL 75 2HG2 VAL 75 -9.399 2.485 -3.198 573 3HG2 VAL 75 3HG2 VAL 75 -7.960 1.709 -3.856 574 H GLU 76 H GLU 76 -12.058 -0.351 -3.897 575 HA GLU 76 HA GLU 76 -12.972 -0.073 -6.629 576 1HB GLU 76 1HB GLU 76 -14.099 -0.985 -4.196 577 2HB GLU 76 2HB GLU 76 -15.027 0.428 -4.688 578 1HG GLU 76 1HG GLU 76 -15.438 -0.587 -6.864 579 2HG GLU 76 2HG GLU 76 -14.491 -1.996 -6.390 580 H ALA 77 H ALA 77 -12.731 1.889 -3.705 581 HA ALA 77 HA ALA 77 -12.874 4.113 -3.323 582 1HB ALA 77 1HB ALA 77 -11.913 5.562 -4.925 583 2HB ALA 77 2HB ALA 77 -11.059 4.023 -5.032 584 3HB ALA 77 3HB ALA 77 -12.269 4.446 -6.243 585 H GLU 78 H GLU 78 -14.596 5.319 -2.963 586 HA GLU 78 HA GLU 78 -16.757 6.047 -3.074 587 1HB GLU 78 1HB GLU 78 -17.235 7.435 -4.980 588 2HB GLU 78 2HB GLU 78 -15.533 7.607 -4.572 589 1HG GLU 78 1HG GLU 78 -14.833 6.423 -6.436 590 2HG GLU 78 2HG GLU 78 -16.404 5.654 -6.659 591 H GLY 79 H GLY 79 -16.603 3.278 -3.398 592 1HA GLY 79 1HA GLY 79 -17.783 1.463 -4.168 593 2HA GLY 79 2HA GLY 79 -18.061 2.355 -5.656 594 H THR 80 H THR 80 -19.110 2.402 -2.248 595 HA THR 80 HA THR 80 -21.883 2.385 -3.116 596 HB THR 80 HB THR 80 -22.440 1.948 -0.829 597 HG1 THR 80 HG1 THR 80 -20.980 2.190 0.824 598 1HG2 THR 80 1HG2 THR 80 -20.812 0.254 -2.221 599 2HG2 THR 80 2HG2 THR 80 -19.968 0.420 -0.681 600 3HG2 THR 80 3HG2 THR 80 -21.643 -0.125 -0.713 601 H ALA 81 H ALA 81 -23.448 3.899 -2.237 602 HA ALA 81 HA ALA 81 -22.276 6.559 -1.743 603 1HB ALA 81 1HB ALA 81 -24.680 5.782 -3.373 604 2HB ALA 81 2HB ALA 81 -24.400 7.434 -2.819 605 3HB ALA 81 3HB ALA 81 -23.238 6.654 -3.893 No H/Q in entry = 605 Start of MODEL 17 1 H1 ALA 1 H1 ALA 1 -12.540 4.401 -12.232 2 H2 ALA 1 H2 ALA 1 -14.156 4.739 -12.701 3 H3 ALA 1 H3 ALA 1 -13.697 4.870 -11.055 4 HA ALA 1 HA ALA 1 -14.760 2.902 -11.081 5 1HB ALA 1 1HB ALA 1 -14.019 1.244 -13.034 6 2HB ALA 1 2HB ALA 1 -13.759 2.777 -13.865 7 3HB ALA 1 3HB ALA 1 -15.350 2.387 -13.209 8 H LEU 2 H LEU 2 -13.876 1.793 -9.479 9 HA LEU 2 HA LEU 2 -12.382 0.667 -8.185 10 1HB LEU 2 1HB LEU 2 -11.550 -0.166 -10.948 11 2HB LEU 2 2HB LEU 2 -10.703 -0.757 -9.530 12 HG LEU 2 HG LEU 2 -13.586 -1.091 -9.304 13 1HD1 LEU 2 1HD1 LEU 2 -13.429 -1.316 -11.735 14 2HD1 LEU 2 2HD1 LEU 2 -12.167 -2.532 -11.539 15 3HD1 LEU 2 3HD1 LEU 2 -13.802 -2.858 -10.963 16 1HD2 LEU 2 1HD2 LEU 2 -11.088 -2.578 -8.809 17 2HD2 LEU 2 2HD2 LEU 2 -12.523 -2.398 -7.801 18 3HD2 LEU 2 3HD2 LEU 2 -12.522 -3.550 -9.136 19 H VAL 3 H VAL 3 -9.901 0.290 -7.857 20 HA VAL 3 HA VAL 3 -8.256 2.460 -8.848 21 HB VAL 3 HB VAL 3 -9.245 2.345 -6.017 22 1HG1 VAL 3 1HG1 VAL 3 -6.808 2.230 -5.806 23 2HG1 VAL 3 2HG1 VAL 3 -6.652 3.646 -6.849 24 3HG1 VAL 3 3HG1 VAL 3 -7.428 3.796 -5.273 25 1HG2 VAL 3 1HG2 VAL 3 -9.202 4.263 -8.243 26 2HG2 VAL 3 2HG2 VAL 3 -10.394 4.027 -6.965 27 3HG2 VAL 3 3HG2 VAL 3 -8.923 4.945 -6.640 28 H GLU 4 H GLU 4 -6.008 2.275 -8.136 29 HA GLU 4 HA GLU 4 -5.257 -0.355 -7.088 30 1HB GLU 4 1HB GLU 4 -3.895 0.820 -9.507 31 2HB GLU 4 2HB GLU 4 -3.718 -0.799 -8.844 32 1HG GLU 4 1HG GLU 4 -5.062 -1.242 -10.621 33 2HG GLU 4 2HG GLU 4 -6.283 -0.947 -9.384 34 H LEU 5 H LEU 5 -4.180 0.163 -5.289 35 HA LEU 5 HA LEU 5 -2.811 2.619 -4.912 36 1HB LEU 5 1HB LEU 5 -3.556 0.373 -3.327 37 2HB LEU 5 2HB LEU 5 -1.842 0.656 -3.089 38 HG LEU 5 HG LEU 5 -3.373 1.799 -1.448 39 1HD1 LEU 5 1HD1 LEU 5 -1.025 2.492 -1.920 40 2HD1 LEU 5 2HD1 LEU 5 -1.660 3.677 -3.061 41 3HD1 LEU 5 3HD1 LEU 5 -2.068 3.794 -1.350 42 1HD2 LEU 5 1HD2 LEU 5 -4.487 2.819 -3.915 43 2HD2 LEU 5 2HD2 LEU 5 -5.132 2.880 -2.275 44 3HD2 LEU 5 3HD2 LEU 5 -4.010 4.124 -2.828 45 H LYS 6 H LYS 6 -0.431 2.455 -3.994 46 HA LYS 6 HA LYS 6 1.261 0.607 -5.416 47 1HB LYS 6 1HB LYS 6 1.006 3.478 -6.237 48 2HB LYS 6 2HB LYS 6 2.541 2.642 -6.420 49 1HG LYS 6 1HG LYS 6 1.780 1.997 -8.408 50 2HG LYS 6 2HG LYS 6 0.741 0.879 -7.521 51 1HD LYS 6 1HD LYS 6 -1.021 2.588 -7.458 52 2HD LYS 6 2HD LYS 6 0.018 3.682 -8.374 53 1HE LYS 6 1HE LYS 6 -0.280 1.065 -9.624 54 2HE LYS 6 2HE LYS 6 -1.811 1.918 -9.433 55 1HZ LYS 6 1HZ LYS 6 -0.113 3.829 -10.361 56 2HZ LYS 6 2HZ LYS 6 0.359 2.453 -11.222 57 3HZ LYS 6 3HZ LYS 6 -1.246 2.981 -11.288 58 H VAL 7 H VAL 7 3.554 0.961 -4.947 59 HA VAL 7 HA VAL 7 4.099 1.176 -2.253 60 HB VAL 7 HB VAL 7 5.976 1.664 -4.568 61 1HG1 VAL 7 1HG1 VAL 7 6.821 2.490 -2.378 62 2HG1 VAL 7 2HG1 VAL 7 6.673 0.846 -1.758 63 3HG1 VAL 7 3HG1 VAL 7 7.787 1.192 -3.081 64 1HG2 VAL 7 1HG2 VAL 7 4.766 -0.501 -4.585 65 2HG2 VAL 7 2HG2 VAL 7 6.513 -0.663 -4.429 66 3HG2 VAL 7 3HG2 VAL 7 5.481 -0.863 -3.016 67 HA PRO 8 HA PRO 8 4.073 5.497 -1.349 68 1HB PRO 8 1HB PRO 8 6.303 5.115 0.516 69 2HB PRO 8 2HB PRO 8 4.640 5.607 0.841 70 1HG PRO 8 1HG PRO 8 5.580 3.176 1.551 71 2HG PRO 8 2HG PRO 8 3.895 3.435 1.055 72 1HD PRO 8 1HD PRO 8 6.181 2.298 -0.499 73 2HD PRO 8 2HD PRO 8 4.477 1.791 -0.468 74 H ASP 9 H ASP 9 6.217 6.989 -0.388 75 HA ASP 9 HA ASP 9 8.030 7.066 -2.707 76 1HB ASP 9 1HB ASP 9 6.448 8.911 -2.787 77 2HB ASP 9 2HB ASP 9 6.833 9.347 -1.127 78 H ILE 10 H ILE 10 8.878 5.536 -0.742 79 HA ILE 10 HA ILE 10 10.036 6.509 1.520 80 HB ILE 10 HB ILE 10 11.953 4.772 0.931 81 1HG1 ILE 10 1HG1 ILE 10 11.254 3.040 -0.578 82 2HG1 ILE 10 2HG1 ILE 10 9.686 3.797 -0.817 83 1HG2 ILE 10 1HG2 ILE 10 10.052 4.695 2.633 84 2HG2 ILE 10 2HG2 ILE 10 9.184 3.733 1.435 85 3HG2 ILE 10 3HG2 ILE 10 10.718 3.156 2.090 86 1HD1 ILE 10 1HD1 ILE 10 12.147 5.287 -1.580 87 2HD1 ILE 10 2HD1 ILE 10 11.557 3.989 -2.618 88 3HD1 ILE 10 3HD1 ILE 10 10.519 5.368 -2.258 89 H GLY 11 H GLY 11 11.066 7.129 -1.738 90 1HA GLY 11 1HA GLY 11 13.027 9.019 -0.724 91 2HA GLY 11 2HA GLY 11 12.477 8.876 -2.387 92 H GLY 12 H GLY 12 13.819 6.339 -0.296 93 1HA GLY 12 1HA GLY 12 15.551 4.875 -0.682 94 2HA GLY 12 2HA GLY 12 16.448 6.338 -1.058 95 H HIS 13 H HIS 13 14.666 3.638 -2.371 96 HA HIS 13 HA HIS 13 14.849 4.389 -5.102 97 1HB HIS 13 1HB HIS 13 16.628 2.864 -5.808 98 2HB HIS 13 2HB HIS 13 17.252 4.061 -4.676 99 HD1 HIS 13 HD1 HIS 13 17.632 3.176 -2.171 100 HD2 HIS 13 HD2 HIS 13 17.033 0.262 -5.072 101 HE1 HIS 13 HE1 HIS 13 18.425 1.025 -1.138 102 HE2 HIS 13 HE2 HIS 13 17.967 -0.739 -2.878 103 H GLU 14 H GLU 14 14.961 2.040 -6.398 104 HA GLU 14 HA GLU 14 12.468 0.845 -5.774 105 1HB GLU 14 1HB GLU 14 13.127 -0.800 -7.572 106 2HB GLU 14 2HB GLU 14 13.131 0.890 -8.059 107 1HG GLU 14 1HG GLU 14 15.346 0.921 -8.419 108 2HG GLU 14 2HG GLU 14 15.692 -0.131 -7.047 109 H ASN 15 H ASN 15 12.397 -1.694 -5.794 110 HA ASN 15 HA ASN 15 12.516 -3.481 -4.373 111 1HB ASN 15 1HB ASN 15 14.833 -4.455 -4.225 112 2HB ASN 15 2HB ASN 15 14.285 -4.096 -5.859 113 1HD2 ASN 15 2HD2 ASN 15 16.563 -3.397 -3.394 114 2HD2 ASN 15 1HD2 ASN 15 17.538 -2.293 -4.299 115 H VAL 16 H VAL 16 11.725 -2.244 -2.553 116 HA VAL 16 HA VAL 16 13.779 -1.896 -0.466 117 HB VAL 16 HB VAL 16 12.387 -0.164 0.556 118 1HG1 VAL 16 1HG1 VAL 16 13.317 0.177 -2.261 119 2HG1 VAL 16 2HG1 VAL 16 12.526 1.515 -1.428 120 3HG1 VAL 16 3HG1 VAL 16 14.003 0.815 -0.766 121 1HG2 VAL 16 1HG2 VAL 16 10.471 -1.082 -1.443 122 2HG2 VAL 16 2HG2 VAL 16 10.203 -0.249 0.088 123 3HG2 VAL 16 3HG2 VAL 16 10.614 0.674 -1.358 124 H ASP 17 H ASP 17 12.983 -2.241 1.743 125 HA ASP 17 HA ASP 17 11.110 -4.483 1.788 126 1HB ASP 17 1HB ASP 17 13.510 -3.810 3.227 127 2HB ASP 17 2HB ASP 17 12.190 -4.074 4.361 128 H ILE 18 H ILE 18 9.058 -4.136 2.321 129 HA ILE 18 HA ILE 18 8.060 -1.701 3.278 130 HB ILE 18 HB ILE 18 6.853 -4.471 3.293 131 1HG1 ILE 18 1HG1 ILE 18 5.825 -2.281 1.595 132 2HG1 ILE 18 2HG1 ILE 18 7.426 -2.889 1.186 133 1HG2 ILE 18 1HG2 ILE 18 5.581 -1.831 3.993 134 2HG2 ILE 18 2HG2 ILE 18 4.672 -3.292 3.609 135 3HG2 ILE 18 3HG2 ILE 18 5.731 -3.256 5.018 136 1HD1 ILE 18 1HD1 ILE 18 5.579 -5.052 1.646 137 2HD1 ILE 18 2HD1 ILE 18 4.985 -3.947 0.407 138 3HD1 ILE 18 3HD1 ILE 18 6.574 -4.696 0.235 139 H ILE 19 H ILE 19 6.895 -1.392 5.365 140 HA ILE 19 HA ILE 19 8.312 -2.820 7.524 141 HB ILE 19 HB ILE 19 8.954 -0.940 8.573 142 1HG1 ILE 19 1HG1 ILE 19 6.458 0.518 7.681 143 2HG1 ILE 19 2HG1 ILE 19 6.639 -0.324 9.214 144 1HG2 ILE 19 1HG2 ILE 19 8.290 0.259 5.888 145 2HG2 ILE 19 2HG2 ILE 19 9.326 1.013 7.101 146 3HG2 ILE 19 3HG2 ILE 19 9.800 -0.517 6.368 147 1HD1 ILE 19 1HD1 ILE 19 8.242 2.059 8.318 148 2HD1 ILE 19 2HD1 ILE 19 6.923 2.068 9.488 149 3HD1 ILE 19 3HD1 ILE 19 8.420 1.211 9.853 150 H ALA 20 H ALA 20 5.343 -1.147 6.612 151 HA ALA 20 HA ALA 20 3.962 -2.562 8.797 152 1HB ALA 20 1HB ALA 20 3.433 0.101 7.521 153 2HB ALA 20 2HB ALA 20 3.747 -0.262 9.217 154 3HB ALA 20 3HB ALA 20 2.216 -0.737 8.484 155 H VAL 21 H VAL 21 1.665 -3.084 8.340 156 HA VAL 21 HA VAL 21 1.027 -3.476 5.524 157 HB VAL 21 HB VAL 21 0.943 -5.782 7.472 158 1HG1 VAL 21 1HG1 VAL 21 -0.760 -5.882 5.733 159 2HG1 VAL 21 2HG1 VAL 21 0.474 -5.657 4.494 160 3HG1 VAL 21 3HG1 VAL 21 0.468 -7.122 5.478 161 1HG2 VAL 21 1HG2 VAL 21 2.951 -5.071 5.349 162 2HG2 VAL 21 2HG2 VAL 21 3.236 -5.401 7.058 163 3HG2 VAL 21 3HG2 VAL 21 2.762 -6.708 5.976 164 H GLU 22 H GLU 22 -1.133 -3.391 5.095 165 HA GLU 22 HA GLU 22 -3.104 -3.820 7.143 166 1HB GLU 22 1HB GLU 22 -2.475 -1.045 6.163 167 2HB GLU 22 2HB GLU 22 -4.065 -1.463 6.788 168 1HG GLU 22 1HG GLU 22 -2.612 -2.388 8.801 169 2HG GLU 22 2HG GLU 22 -1.479 -1.178 8.202 170 H VAL 23 H VAL 23 -2.662 -5.064 4.701 171 HA VAL 23 HA VAL 23 -5.160 -4.407 3.326 172 HB VAL 23 HB VAL 23 -3.937 -4.933 1.124 173 1HG1 VAL 23 1HG1 VAL 23 -3.845 -2.400 2.688 174 2HG1 VAL 23 2HG1 VAL 23 -3.009 -2.473 1.137 175 3HG1 VAL 23 3HG1 VAL 23 -4.741 -2.790 1.220 176 1HG2 VAL 23 1HG2 VAL 23 -1.824 -5.497 2.635 177 2HG2 VAL 23 2HG2 VAL 23 -1.666 -4.863 0.997 178 3HG2 VAL 23 3HG2 VAL 23 -1.511 -3.779 2.381 179 H ASN 24 H ASN 24 -6.351 -6.177 3.374 180 HA ASN 24 HA ASN 24 -5.084 -8.767 2.808 181 1HB ASN 24 1HB ASN 24 -6.673 -7.979 5.191 182 2HB ASN 24 2HB ASN 24 -6.959 -9.584 4.526 183 1HD2 ASN 24 2HD2 ASN 24 -4.573 -10.453 3.754 184 2HD2 ASN 24 1HD2 ASN 24 -3.470 -10.530 5.082 185 H VAL 25 H VAL 25 -7.015 -6.671 1.523 186 HA VAL 25 HA VAL 25 -8.716 -6.718 0.017 187 HB VAL 25 HB VAL 25 -8.275 -9.701 0.153 188 1HG1 VAL 25 1HG1 VAL 25 -10.499 -9.145 -0.721 189 2HG1 VAL 25 2HG1 VAL 25 -9.756 -8.086 -1.919 190 3HG1 VAL 25 3HG1 VAL 25 -9.456 -9.823 -1.972 191 1HG2 VAL 25 1HG2 VAL 25 -6.375 -8.161 -0.592 192 2HG2 VAL 25 2HG2 VAL 25 -6.821 -9.486 -1.667 193 3HG2 VAL 25 3HG2 VAL 25 -7.363 -7.844 -2.019 194 H GLY 26 H GLY 26 -10.782 -6.291 0.446 195 1HA GLY 26 1HA GLY 26 -12.230 -8.085 2.292 196 2HA GLY 26 2HA GLY 26 -12.990 -7.152 1.012 197 H ASP 27 H ASP 27 -10.513 -5.668 2.915 198 HA ASP 27 HA ASP 27 -12.241 -4.578 4.914 199 1HB ASP 27 1HB ASP 27 -9.385 -4.343 4.175 200 2HB ASP 27 2HB ASP 27 -10.077 -2.955 5.008 201 H THR 28 H THR 28 -13.226 -2.618 5.019 202 HA THR 28 HA THR 28 -13.742 -1.255 2.561 203 HB THR 28 HB THR 28 -14.503 -0.560 5.405 204 HG1 THR 28 HG1 THR 28 -15.688 -2.271 5.016 205 1HG2 THR 28 1HG2 THR 28 -14.648 1.154 3.281 206 2HG2 THR 28 2HG2 THR 28 -16.239 0.394 3.275 207 3HG2 THR 28 3HG2 THR 28 -15.659 1.212 4.725 208 H ILE 29 H ILE 29 -12.106 -0.117 1.698 209 HA ILE 29 HA ILE 29 -10.224 1.335 3.298 210 HB ILE 29 HB ILE 29 -9.348 2.167 1.129 211 1HG1 ILE 29 1HG1 ILE 29 -11.109 0.287 -0.354 212 2HG1 ILE 29 2HG1 ILE 29 -11.823 1.808 0.156 213 1HG2 ILE 29 1HG2 ILE 29 -9.802 -0.796 1.405 214 2HG2 ILE 29 2HG2 ILE 29 -8.647 -0.071 0.287 215 3HG2 ILE 29 3HG2 ILE 29 -8.444 0.142 2.025 216 1HD1 ILE 29 1HD1 ILE 29 -9.294 1.605 -1.451 217 2HD1 ILE 29 2HD1 ILE 29 -10.900 1.828 -2.152 218 3HD1 ILE 29 3HD1 ILE 29 -10.220 3.059 -1.089 219 H ALA 30 H ALA 30 -9.934 3.553 3.431 220 HA ALA 30 HA ALA 30 -12.212 5.211 2.577 221 1HB ALA 30 1HB ALA 30 -10.780 5.786 5.136 222 2HB ALA 30 2HB ALA 30 -12.410 6.238 4.637 223 3HB ALA 30 3HB ALA 30 -12.057 4.572 5.094 224 H VAL 31 H VAL 31 -11.392 7.667 3.257 225 HA VAL 31 HA VAL 31 -9.062 8.041 1.545 226 HB VAL 31 HB VAL 31 -9.747 10.512 1.814 227 1HG1 VAL 31 1HG1 VAL 31 -11.312 8.431 0.325 228 2HG1 VAL 31 2HG1 VAL 31 -11.641 10.154 0.134 229 3HG1 VAL 31 3HG1 VAL 31 -10.052 9.508 -0.279 230 1HG2 VAL 31 1HG2 VAL 31 -11.295 9.895 3.762 231 2HG2 VAL 31 2HG2 VAL 31 -11.900 11.030 2.556 232 3HG2 VAL 31 3HG2 VAL 31 -12.417 9.345 2.517 233 H ASP 32 H ASP 32 -8.549 6.995 4.101 234 HA ASP 32 HA ASP 32 -6.415 8.494 4.974 235 1HB ASP 32 1HB ASP 32 -7.454 9.286 7.222 236 2HB ASP 32 2HB ASP 32 -7.696 10.270 5.782 237 H ASP 33 H ASP 33 -6.272 6.004 4.699 238 HA ASP 33 HA ASP 33 -6.358 4.860 7.398 239 1HB ASP 33 1HB ASP 33 -6.997 2.637 6.191 240 2HB ASP 33 2HB ASP 33 -8.260 3.806 6.563 241 H THR 34 H THR 34 -4.197 4.795 7.738 242 HA THR 34 HA THR 34 -2.165 4.479 5.944 243 HB THR 34 HB THR 34 -1.122 3.137 8.013 244 HG1 THR 34 HG1 THR 34 -3.307 3.317 9.006 245 1HG2 THR 34 1HG2 THR 34 -0.399 5.330 7.073 246 2HG2 THR 34 2HG2 THR 34 -1.578 6.094 8.139 247 3HG2 THR 34 3HG2 THR 34 -0.241 5.171 8.824 248 H LEU 35 H LEU 35 -1.786 3.019 4.479 249 HA LEU 35 HA LEU 35 -2.772 0.301 4.793 250 1HB LEU 35 1HB LEU 35 -1.370 1.640 2.474 251 2HB LEU 35 2HB LEU 35 -2.031 0.016 2.453 252 HG LEU 35 HG LEU 35 -3.801 2.363 3.048 253 1HD1 LEU 35 1HD1 LEU 35 -2.407 1.889 0.584 254 2HD1 LEU 35 2HD1 LEU 35 -4.143 1.674 0.356 255 3HD1 LEU 35 3HD1 LEU 35 -3.520 3.189 1.010 256 1HD2 LEU 35 1HD2 LEU 35 -4.172 -0.391 2.963 257 2HD2 LEU 35 2HD2 LEU 35 -5.428 0.847 2.986 258 3HD2 LEU 35 3HD2 LEU 35 -4.856 0.200 1.449 259 H ILE 36 H ILE 36 0.238 2.095 4.541 260 HA ILE 36 HA ILE 36 1.655 0.028 5.934 261 HB ILE 36 HB ILE 36 3.448 -0.200 4.148 262 1HG1 ILE 36 1HG1 ILE 36 2.986 0.222 1.899 263 2HG1 ILE 36 2HG1 ILE 36 1.255 0.369 2.173 264 1HG2 ILE 36 1HG2 ILE 36 1.446 -1.774 4.836 265 2HG2 ILE 36 2HG2 ILE 36 0.985 -1.503 3.158 266 3HG2 ILE 36 3HG2 ILE 36 2.563 -2.194 3.540 267 1HD1 ILE 36 1HD1 ILE 36 3.348 2.363 3.013 268 2HD1 ILE 36 2HD1 ILE 36 2.280 2.505 1.616 269 3HD1 ILE 36 3HD1 ILE 36 1.607 2.525 3.245 270 H THR 37 H THR 37 4.154 0.589 5.779 271 HA THR 37 HA THR 37 4.580 3.471 5.682 272 HB THR 37 HB THR 37 5.194 1.834 8.152 273 HG1 THR 37 HG1 THR 37 3.122 3.578 7.480 274 1HG2 THR 37 1HG2 THR 37 5.704 4.715 7.499 275 2HG2 THR 37 2HG2 THR 37 5.657 4.091 9.148 276 3HG2 THR 37 3HG2 THR 37 6.863 3.490 8.012 277 H LEU 38 H LEU 38 5.499 1.950 3.812 278 HA LEU 38 HA LEU 38 7.696 0.419 3.859 279 1HB LEU 38 1HB LEU 38 6.431 1.457 1.878 280 2HB LEU 38 2HB LEU 38 7.594 2.763 1.988 281 HG LEU 38 HG LEU 38 9.324 0.756 1.868 282 1HD1 LEU 38 1HD1 LEU 38 7.220 -0.790 1.791 283 2HD1 LEU 38 2HD1 LEU 38 7.206 -0.344 0.088 284 3HD1 LEU 38 3HD1 LEU 38 8.620 -1.139 0.777 285 1HD2 LEU 38 1HD2 LEU 38 8.269 2.666 0.089 286 2HD2 LEU 38 2HD2 LEU 38 9.821 1.832 -0.006 287 3HD2 LEU 38 3HD2 LEU 38 8.405 1.153 -0.810 288 H GLU 39 H GLU 39 9.968 0.711 3.685 289 HA GLU 39 HA GLU 39 11.173 3.244 4.305 290 1HB GLU 39 1HB GLU 39 10.514 2.654 6.544 291 2HB GLU 39 2HB GLU 39 11.170 1.032 6.360 292 1HG GLU 39 1HG GLU 39 12.980 3.375 6.051 293 2HG GLU 39 2HG GLU 39 12.486 2.866 7.665 294 H THR 40 H THR 40 12.914 3.267 3.052 295 HA THR 40 HA THR 40 14.033 0.898 1.940 296 HB THR 40 HB THR 40 15.622 2.384 0.846 297 HG1 THR 40 HG1 THR 40 15.805 4.503 1.404 298 1HG2 THR 40 1HG2 THR 40 12.767 2.897 0.787 299 2HG2 THR 40 2HG2 THR 40 13.732 4.292 0.301 300 3HG2 THR 40 3HG2 THR 40 13.925 2.752 -0.535 301 H ASP 41 H ASP 41 16.072 3.377 3.395 302 HA ASP 41 HA ASP 41 17.052 1.568 5.431 303 1HB ASP 41 1HB ASP 41 19.450 1.919 4.611 304 2HB ASP 41 2HB ASP 41 18.460 0.775 3.709 305 H LYS 42 H LYS 42 15.804 4.287 5.092 306 HA LYS 42 HA LYS 42 17.120 5.592 7.195 307 1HB LYS 42 1HB LYS 42 18.884 6.079 5.622 308 2HB LYS 42 2HB LYS 42 17.726 6.672 4.439 309 1HG LYS 42 1HG LYS 42 18.971 8.460 5.614 310 2HG LYS 42 2HG LYS 42 17.219 8.578 5.791 311 1HD LYS 42 1HD LYS 42 17.332 7.630 8.005 312 2HD LYS 42 2HD LYS 42 19.062 7.331 7.827 313 1HE LYS 42 1HE LYS 42 19.182 9.289 8.967 314 2HE LYS 42 2HE LYS 42 19.050 9.949 7.337 315 1HZ LYS 42 1HZ LYS 42 16.578 9.416 8.812 316 2HZ LYS 42 2HZ LYS 42 17.496 10.761 9.269 317 3HZ LYS 42 3HZ LYS 42 16.922 10.630 7.683 318 H ALA 43 H ALA 43 15.221 6.083 4.250 319 HA ALA 43 HA ALA 43 13.507 7.978 5.699 320 1HB ALA 43 1HB ALA 43 13.909 7.470 2.762 321 2HB ALA 43 2HB ALA 43 12.601 8.471 3.391 322 3HB ALA 43 3HB ALA 43 14.280 8.931 3.677 323 H THR 44 H THR 44 11.562 7.359 6.377 324 HA THR 44 HA THR 44 10.437 4.869 5.278 325 HB THR 44 HB THR 44 9.560 4.341 7.358 326 HG1 THR 44 HG1 THR 44 8.714 5.780 8.621 327 1HG2 THR 44 1HG2 THR 44 12.217 4.894 7.344 328 2HG2 THR 44 2HG2 THR 44 11.655 5.862 8.708 329 3HG2 THR 44 3HG2 THR 44 11.348 4.125 8.672 330 H MET 45 H MET 45 8.740 5.121 4.002 331 HA MET 45 HA MET 45 7.013 7.474 4.412 332 1HB MET 45 1HB MET 45 8.169 6.282 2.017 333 2HB MET 45 2HB MET 45 6.428 6.481 1.888 334 1HG MET 45 1HG MET 45 8.458 8.622 2.469 335 2HG MET 45 2HG MET 45 7.505 8.423 1.000 336 1HE MET 45 1HE MET 45 6.946 10.571 0.876 337 2HE MET 45 2HE MET 45 5.352 11.096 1.418 338 3HE MET 45 3HE MET 45 6.793 11.597 2.303 339 H ASP 46 H ASP 46 4.735 7.210 4.126 340 HA ASP 46 HA ASP 46 3.762 4.444 4.222 341 1HB ASP 46 1HB ASP 46 2.182 5.110 6.050 342 2HB ASP 46 2HB ASP 46 3.875 5.096 6.536 343 H VAL 47 H VAL 47 1.353 4.333 3.950 344 HA VAL 47 HA VAL 47 0.376 6.555 2.281 345 HB VAL 47 HB VAL 47 0.063 3.602 1.727 346 1HG1 VAL 47 1HG1 VAL 47 -1.702 5.729 1.088 347 2HG1 VAL 47 2HG1 VAL 47 -0.905 5.222 -0.403 348 3HG1 VAL 47 3HG1 VAL 47 -1.783 4.043 0.573 349 1HG2 VAL 47 1HG2 VAL 47 2.226 4.795 1.113 350 2HG2 VAL 47 2HG2 VAL 47 1.390 3.941 -0.184 351 3HG2 VAL 47 3HG2 VAL 47 1.266 5.696 -0.060 352 HA PRO 48 HA PRO 48 -3.054 5.979 5.137 353 1HB PRO 48 1HB PRO 48 -4.085 8.418 4.930 354 2HB PRO 48 2HB PRO 48 -2.523 8.167 5.719 355 1HG PRO 48 1HG PRO 48 -3.125 9.233 3.002 356 2HG PRO 48 2HG PRO 48 -1.841 9.695 4.132 357 1HD PRO 48 1HD PRO 48 -1.592 7.941 1.942 358 2HD PRO 48 2HD PRO 48 -0.413 8.170 3.247 359 H ALA 49 H ALA 49 -3.172 5.178 2.233 360 HA ALA 49 HA ALA 49 -4.705 4.707 0.609 361 1HB ALA 49 1HB ALA 49 -7.069 4.821 2.277 362 2HB ALA 49 2HB ALA 49 -5.746 3.964 3.067 363 3HB ALA 49 3HB ALA 49 -6.315 3.440 1.482 364 H GLU 50 H GLU 50 -4.800 6.419 -0.757 365 HA GLU 50 HA GLU 50 -6.398 8.740 -0.050 366 1HB GLU 50 1HB GLU 50 -4.355 8.124 -2.118 367 2HB GLU 50 2HB GLU 50 -5.556 9.351 -2.506 368 1HG GLU 50 1HG GLU 50 -4.088 10.741 -1.552 369 2HG GLU 50 2HG GLU 50 -4.802 10.163 -0.045 370 H VAL 51 H VAL 51 -8.213 7.031 -0.066 371 HA VAL 51 HA VAL 51 -10.133 7.642 -1.867 372 HB VAL 51 HB VAL 51 -8.978 6.919 -3.777 373 1HG1 VAL 51 1HG1 VAL 51 -7.501 5.369 -2.026 374 2HG1 VAL 51 2HG1 VAL 51 -8.287 4.190 -3.079 375 3HG1 VAL 51 3HG1 VAL 51 -7.293 5.469 -3.774 376 1HG2 VAL 51 1HG2 VAL 51 -11.321 5.835 -3.323 377 2HG2 VAL 51 2HG2 VAL 51 -10.359 5.340 -4.717 378 3HG2 VAL 51 3HG2 VAL 51 -10.389 4.340 -3.265 379 H ALA 52 H ALA 52 -12.035 6.526 -1.473 380 HA ALA 52 HA ALA 52 -11.939 4.650 0.757 381 1HB ALA 52 1HB ALA 52 -13.578 6.727 0.314 382 2HB ALA 52 2HB ALA 52 -14.041 5.321 1.274 383 3HB ALA 52 3HB ALA 52 -14.531 5.436 -0.418 384 H GLY 53 H GLY 53 -14.087 3.061 0.446 385 1HA GLY 53 1HA GLY 53 -13.603 1.698 -2.136 386 2HA GLY 53 2HA GLY 53 -15.158 1.698 -1.312 387 H VAL 54 H VAL 54 -13.395 -0.522 -2.183 388 HA VAL 54 HA VAL 54 -12.624 -1.747 0.359 389 HB VAL 54 HB VAL 54 -14.547 -3.053 -1.575 390 1HG1 VAL 54 1HG1 VAL 54 -12.959 -4.630 -0.567 391 2HG1 VAL 54 2HG1 VAL 54 -13.434 -4.072 1.037 392 3HG1 VAL 54 3HG1 VAL 54 -14.604 -4.898 0.009 393 1HG2 VAL 54 1HG2 VAL 54 -14.950 -1.976 1.211 394 2HG2 VAL 54 2HG2 VAL 54 -15.701 -1.397 -0.276 395 3HG2 VAL 54 3HG2 VAL 54 -16.113 -2.991 0.357 396 H VAL 55 H VAL 55 -10.947 -3.210 0.165 397 HA VAL 55 HA VAL 55 -9.492 -3.148 -2.302 398 HB VAL 55 HB VAL 55 -8.916 -4.762 0.182 399 1HG1 VAL 55 1HG1 VAL 55 -7.840 -5.576 -1.935 400 2HG1 VAL 55 2HG1 VAL 55 -7.044 -4.006 -2.063 401 3HG1 VAL 55 3HG1 VAL 55 -6.702 -5.058 -0.689 402 1HG2 VAL 55 1HG2 VAL 55 -9.007 -2.162 0.257 403 2HG2 VAL 55 2HG2 VAL 55 -7.641 -3.010 0.982 404 3HG2 VAL 55 3HG2 VAL 55 -7.474 -2.266 -0.609 405 H LYS 56 H LYS 56 -9.014 -4.773 -3.689 406 HA LYS 56 HA LYS 56 -10.677 -7.201 -3.506 407 1HB LYS 56 1HB LYS 56 -9.601 -6.709 -6.153 408 2HB LYS 56 2HB LYS 56 -11.264 -6.995 -5.666 409 1HG LYS 56 1HG LYS 56 -10.279 -4.293 -5.074 410 2HG LYS 56 2HG LYS 56 -10.331 -4.710 -6.784 411 1HD LYS 56 1HD LYS 56 -12.463 -3.941 -6.530 412 2HD LYS 56 2HD LYS 56 -12.716 -5.639 -6.114 413 1HE LYS 56 1HE LYS 56 -11.951 -4.430 -3.730 414 2HE LYS 56 2HE LYS 56 -13.038 -3.269 -4.489 415 1HZ LYS 56 1HZ LYS 56 -14.673 -5.058 -4.735 416 2HZ LYS 56 2HZ LYS 56 -13.636 -6.123 -3.929 417 3HZ LYS 56 3HZ LYS 56 -14.275 -4.786 -3.112 418 H GLU 57 H GLU 57 -7.658 -5.856 -4.752 419 HA GLU 57 HA GLU 57 -6.459 -8.496 -4.467 420 1HB GLU 57 1HB GLU 57 -6.018 -6.274 -6.390 421 2HB GLU 57 2HB GLU 57 -4.631 -7.266 -5.960 422 1HG GLU 57 1HG GLU 57 -5.806 -9.262 -6.692 423 2HG GLU 57 2HG GLU 57 -7.228 -8.293 -7.083 424 H VAL 58 H VAL 58 -3.975 -8.310 -4.113 425 HA VAL 58 HA VAL 58 -3.045 -6.101 -2.545 426 HB VAL 58 HB VAL 58 -4.417 -7.152 -0.833 427 1HG1 VAL 58 1HG1 VAL 58 -3.512 -9.554 -2.053 428 2HG1 VAL 58 2HG1 VAL 58 -3.039 -9.578 -0.353 429 3HG1 VAL 58 3HG1 VAL 58 -4.731 -9.346 -0.794 430 1HG2 VAL 58 1HG2 VAL 58 -1.592 -6.762 -0.667 431 2HG2 VAL 58 2HG2 VAL 58 -2.825 -6.496 0.569 432 3HG2 VAL 58 3HG2 VAL 58 -2.061 -8.078 0.410 433 H LYS 59 H LYS 59 -0.959 -5.957 -2.937 434 HA LYS 59 HA LYS 59 0.616 -8.412 -3.310 435 1HB LYS 59 1HB LYS 59 1.268 -6.007 -4.950 436 2HB LYS 59 2HB LYS 59 1.552 -7.707 -5.298 437 1HG LYS 59 1HG LYS 59 -1.187 -7.548 -5.266 438 2HG LYS 59 2HG LYS 59 -0.710 -6.008 -5.984 439 1HD LYS 59 1HD LYS 59 0.833 -7.409 -7.482 440 2HD LYS 59 2HD LYS 59 -0.122 -8.792 -6.942 441 1HE LYS 59 1HE LYS 59 -2.070 -7.019 -7.630 442 2HE LYS 59 2HE LYS 59 -0.810 -6.626 -8.800 443 1HZ LYS 59 1HZ LYS 59 -0.787 -9.262 -8.976 444 2HZ LYS 59 2HZ LYS 59 -2.406 -9.047 -8.533 445 3HZ LYS 59 3HZ LYS 59 -1.804 -8.295 -9.923 446 H VAL 60 H VAL 60 0.921 -7.698 -0.963 447 HA VAL 60 HA VAL 60 3.504 -6.572 -0.706 448 HB VAL 60 HB VAL 60 2.765 -4.411 -0.884 449 1HG1 VAL 60 1HG1 VAL 60 0.176 -5.236 0.415 450 2HG1 VAL 60 2HG1 VAL 60 0.571 -3.589 -0.071 451 3HG1 VAL 60 3HG1 VAL 60 0.444 -4.861 -1.288 452 1HG2 VAL 60 1HG2 VAL 60 3.618 -4.967 1.527 453 2HG2 VAL 60 2HG2 VAL 60 2.969 -3.372 1.154 454 3HG2 VAL 60 3HG2 VAL 60 1.966 -4.560 1.986 455 H LYS 61 H LYS 61 4.353 -6.776 1.372 456 HA LYS 61 HA LYS 61 2.642 -8.124 3.350 457 1HB LYS 61 1HB LYS 61 5.506 -8.938 2.963 458 2HB LYS 61 2HB LYS 61 4.204 -9.822 3.746 459 1HG LYS 61 1HG LYS 61 4.313 -9.271 0.791 460 2HG LYS 61 2HG LYS 61 4.924 -10.744 1.546 461 1HD LYS 61 1HD LYS 61 2.356 -10.430 2.576 462 2HD LYS 61 2HD LYS 61 2.211 -10.005 0.869 463 1HE LYS 61 1HE LYS 61 3.453 -12.142 0.359 464 2HE LYS 61 2HE LYS 61 3.249 -12.570 2.057 465 1HZ LYS 61 1HZ LYS 61 0.995 -11.927 0.238 466 2HZ LYS 61 2HZ LYS 61 1.532 -13.500 0.549 467 3HZ LYS 61 3HZ LYS 61 0.897 -12.558 1.804 468 H VAL 62 H VAL 62 4.627 -8.505 5.284 469 HA VAL 62 HA VAL 62 5.083 -5.724 6.086 470 HB VAL 62 HB VAL 62 3.798 -7.271 7.600 471 1HG1 VAL 62 1HG1 VAL 62 5.999 -8.963 7.155 472 2HG1 VAL 62 2HG1 VAL 62 6.057 -8.495 8.855 473 3HG1 VAL 62 3HG1 VAL 62 4.604 -9.247 8.197 474 1HG2 VAL 62 1HG2 VAL 62 6.195 -5.709 8.401 475 2HG2 VAL 62 2HG2 VAL 62 4.487 -5.417 8.738 476 3HG2 VAL 62 3HG2 VAL 62 5.364 -6.658 9.634 477 H GLY 63 H GLY 63 6.810 -6.899 4.151 478 1HA GLY 63 1HA GLY 63 9.259 -7.610 5.551 479 2HA GLY 63 2HA GLY 63 9.267 -6.042 4.755 480 H ASP 64 H ASP 64 8.404 -6.187 2.391 481 HA ASP 64 HA ASP 64 9.871 -8.391 1.115 482 1HB ASP 64 1HB ASP 64 8.027 -8.227 -0.711 483 2HB ASP 64 2HB ASP 64 7.693 -9.136 0.761 484 H LYS 65 H LYS 65 10.460 -7.929 -1.146 485 HA LYS 65 HA LYS 65 11.590 -5.316 -1.373 486 1HB LYS 65 1HB LYS 65 11.590 -7.791 -3.050 487 2HB LYS 65 2HB LYS 65 12.123 -6.276 -3.765 488 1HG LYS 65 1HG LYS 65 14.135 -6.798 -2.971 489 2HG LYS 65 2HG LYS 65 13.496 -6.333 -1.393 490 1HD LYS 65 1HD LYS 65 13.669 -8.423 -0.653 491 2HD LYS 65 2HD LYS 65 12.717 -9.026 -2.012 492 1HE LYS 65 1HE LYS 65 14.879 -10.099 -2.006 493 2HE LYS 65 2HE LYS 65 14.760 -9.023 -3.399 494 1HZ LYS 65 1HZ LYS 65 15.858 -7.362 -1.692 495 2HZ LYS 65 2HZ LYS 65 16.436 -8.801 -1.015 496 3HZ LYS 65 3HZ LYS 65 16.791 -8.421 -2.625 497 H ILE 66 H ILE 66 10.451 -3.586 -1.948 498 HA ILE 66 HA ILE 66 8.524 -3.862 -4.141 499 HB ILE 66 HB ILE 66 7.813 -3.379 -1.509 500 1HG1 ILE 66 1HG1 ILE 66 5.573 -2.828 -2.537 501 2HG1 ILE 66 2HG1 ILE 66 6.376 -2.876 -4.106 502 1HG2 ILE 66 1HG2 ILE 66 7.798 -0.756 -2.977 503 2HG2 ILE 66 2HG2 ILE 66 6.756 -1.103 -1.599 504 3HG2 ILE 66 3HG2 ILE 66 8.508 -1.123 -1.406 505 1HD1 ILE 66 1HD1 ILE 66 7.153 -5.223 -2.859 506 2HD1 ILE 66 2HD1 ILE 66 5.448 -5.038 -2.444 507 3HD1 ILE 66 3HD1 ILE 66 5.946 -5.047 -4.137 508 H SER 67 H SER 67 7.969 -1.698 -5.141 509 HA SER 67 HA SER 67 10.104 0.278 -4.932 510 1HB SER 67 1HB SER 67 9.591 -0.116 -7.722 511 2HB SER 67 2HB SER 67 11.116 -0.272 -6.850 512 HG SER 67 HG SER 67 10.018 -2.193 -8.012 513 H GLU 68 H GLU 68 9.453 2.328 -5.324 514 HA GLU 68 HA GLU 68 6.913 3.200 -5.075 515 1HB GLU 68 1HB GLU 68 8.798 4.605 -6.956 516 2HB GLU 68 2HB GLU 68 7.594 5.315 -5.889 517 1HG GLU 68 1HG GLU 68 9.329 5.730 -4.553 518 2HG GLU 68 2HG GLU 68 9.185 4.031 -4.107 519 H GLY 69 H GLY 69 5.181 2.432 -6.141 520 1HA GLY 69 1HA GLY 69 5.032 2.903 -9.014 521 2HA GLY 69 2HA GLY 69 3.688 2.510 -7.954 522 H GLY 70 H GLY 70 3.816 0.216 -6.990 523 1HA GLY 70 1HA GLY 70 4.981 -1.989 -7.528 524 2HA GLY 70 2HA GLY 70 4.593 -1.592 -9.194 525 H LEU 71 H LEU 71 1.989 -0.404 -8.249 526 HA LEU 71 HA LEU 71 -0.166 -1.039 -7.831 527 1HB LEU 71 1HB LEU 71 -0.053 -1.949 -10.015 528 2HB LEU 71 2HB LEU 71 0.898 -3.320 -9.478 529 HG LEU 71 HG LEU 71 -0.974 -4.368 -8.479 530 1HD1 LEU 71 1HD1 LEU 71 -2.024 -1.645 -8.386 531 2HD1 LEU 71 2HD1 LEU 71 -3.218 -2.854 -8.858 532 3HD1 LEU 71 3HD1 LEU 71 -2.346 -3.024 -7.334 533 1HD2 LEU 71 1HD2 LEU 71 -0.918 -3.734 -11.181 534 2HD2 LEU 71 2HD2 LEU 71 -1.855 -5.017 -10.415 535 3HD2 LEU 71 3HD2 LEU 71 -2.585 -3.436 -10.692 536 H ILE 72 H ILE 72 0.250 -1.173 -5.550 537 HA ILE 72 HA ILE 72 0.919 -3.655 -4.322 538 HB ILE 72 HB ILE 72 0.252 -0.928 -3.424 539 1HG1 ILE 72 1HG1 ILE 72 2.061 -2.694 -1.903 540 2HG1 ILE 72 2HG1 ILE 72 2.493 -2.422 -3.589 541 1HG2 ILE 72 1HG2 ILE 72 -0.592 -3.305 -1.831 542 2HG2 ILE 72 2HG2 ILE 72 0.130 -1.932 -0.989 543 3HG2 ILE 72 3HG2 ILE 72 -1.330 -1.709 -1.953 544 1HD1 ILE 72 1HD1 ILE 72 1.809 0.079 -2.503 545 2HD1 ILE 72 2HD1 ILE 72 2.871 -0.722 -1.346 546 3HD1 ILE 72 3HD1 ILE 72 3.393 -0.499 -3.014 547 H VAL 73 H VAL 73 -2.076 -1.783 -3.793 548 HA VAL 73 HA VAL 73 -3.576 -4.302 -4.041 549 HB VAL 73 HB VAL 73 -4.967 -3.726 -2.150 550 1HG1 VAL 73 1HG1 VAL 73 -2.218 -4.371 -1.992 551 2HG1 VAL 73 2HG1 VAL 73 -2.587 -3.297 -0.643 552 3HG1 VAL 73 3HG1 VAL 73 -3.506 -4.786 -0.861 553 1HG2 VAL 73 1HG2 VAL 73 -3.240 -1.263 -1.902 554 2HG2 VAL 73 2HG2 VAL 73 -4.949 -1.311 -2.337 555 3HG2 VAL 73 3HG2 VAL 73 -4.438 -1.789 -0.717 556 H VAL 74 H VAL 74 -5.631 -4.186 -4.849 557 HA VAL 74 HA VAL 74 -6.373 -1.633 -6.122 558 HB VAL 74 HB VAL 74 -7.203 -4.459 -6.831 559 1HG1 VAL 74 1HG1 VAL 74 -8.748 -2.368 -7.300 560 2HG1 VAL 74 2HG1 VAL 74 -7.636 -2.150 -8.652 561 3HG1 VAL 74 3HG1 VAL 74 -8.547 -3.651 -8.492 562 1HG2 VAL 74 1HG2 VAL 74 -5.031 -2.679 -7.774 563 2HG2 VAL 74 2HG2 VAL 74 -5.083 -4.437 -7.648 564 3HG2 VAL 74 3HG2 VAL 74 -5.885 -3.625 -8.992 565 H VAL 75 H VAL 75 -8.307 -0.700 -5.628 566 HA VAL 75 HA VAL 75 -10.087 -2.200 -3.841 567 HB VAL 75 HB VAL 75 -10.681 0.016 -2.826 568 1HG1 VAL 75 1HG1 VAL 75 -8.263 -1.557 -2.447 569 2HG1 VAL 75 2HG1 VAL 75 -8.133 0.083 -1.812 570 3HG1 VAL 75 3HG1 VAL 75 -9.434 -0.975 -1.264 571 1HG2 VAL 75 1HG2 VAL 75 -8.784 0.921 -4.813 572 2HG2 VAL 75 2HG2 VAL 75 -9.943 1.842 -3.860 573 3HG2 VAL 75 3HG2 VAL 75 -8.354 1.466 -3.195 574 H GLU 76 H GLU 76 -12.288 -1.117 -3.664 575 HA GLU 76 HA GLU 76 -13.406 -0.991 -6.309 576 1HB GLU 76 1HB GLU 76 -14.331 -1.750 -3.785 577 2HB GLU 76 2HB GLU 76 -15.244 -0.297 -4.173 578 1HG GLU 76 1HG GLU 76 -15.541 -1.545 -6.486 579 2HG GLU 76 2HG GLU 76 -15.267 -2.961 -5.472 580 H ALA 77 H ALA 77 -12.444 1.264 -3.864 581 HA ALA 77 HA ALA 77 -12.128 3.527 -4.068 582 1HB ALA 77 1HB ALA 77 -13.907 3.584 -6.468 583 2HB ALA 77 2HB ALA 77 -12.200 3.152 -6.551 584 3HB ALA 77 3HB ALA 77 -12.677 4.747 -5.973 585 H GLU 78 H GLU 78 -13.737 5.580 -4.283 586 HA GLU 78 HA GLU 78 -15.447 5.485 -2.133 587 1HB GLU 78 1HB GLU 78 -14.713 7.391 -4.066 588 2HB GLU 78 2HB GLU 78 -16.471 7.349 -4.076 589 1HG GLU 78 1HG GLU 78 -15.175 7.443 -1.428 590 2HG GLU 78 2HG GLU 78 -15.037 8.888 -2.428 591 H GLY 79 H GLY 79 -16.837 3.761 -2.062 592 1HA GLY 79 1HA GLY 79 -18.632 2.422 -2.611 593 2HA GLY 79 2HA GLY 79 -18.533 3.045 -4.252 594 H THR 80 H THR 80 -19.542 4.016 -0.981 595 HA THR 80 HA THR 80 -21.310 6.046 -1.986 596 HB THR 80 HB THR 80 -22.624 4.030 -2.485 597 HG1 THR 80 HG1 THR 80 -24.194 5.307 -1.989 598 1HG2 THR 80 1HG2 THR 80 -21.641 2.676 -0.564 599 2HG2 THR 80 2HG2 THR 80 -22.828 3.493 0.452 600 3HG2 THR 80 3HG2 THR 80 -23.363 2.494 -0.900 601 H ALA 81 H ALA 81 -22.938 6.572 -0.002 602 HA ALA 81 HA ALA 81 -21.235 7.486 2.080 603 1HB ALA 81 1HB ALA 81 -22.901 8.922 2.371 604 2HB ALA 81 2HB ALA 81 -23.839 8.051 1.159 605 3HB ALA 81 3HB ALA 81 -23.979 7.615 2.862 No H/Q in entry = 605 Start of MODEL 18 1 H1 ALA 1 H1 ALA 1 -12.129 5.823 -10.084 2 H2 ALA 1 H2 ALA 1 -12.228 5.888 -11.796 3 H3 ALA 1 H3 ALA 1 -13.570 6.364 -10.842 4 HA ALA 1 HA ALA 1 -14.115 4.273 -10.274 5 1HB ALA 1 1HB ALA 1 -14.689 4.410 -12.527 6 2HB ALA 1 2HB ALA 1 -13.800 2.889 -12.419 7 3HB ALA 1 3HB ALA 1 -13.009 4.330 -13.059 8 H LEU 2 H LEU 2 -13.067 3.248 -8.655 9 HA LEU 2 HA LEU 2 -11.688 1.774 -7.609 10 1HB LEU 2 1HB LEU 2 -11.274 0.925 -10.467 11 2HB LEU 2 2HB LEU 2 -10.480 0.115 -9.130 12 HG LEU 2 HG LEU 2 -13.260 0.261 -8.531 13 1HD1 LEU 2 1HD1 LEU 2 -12.601 -0.451 -11.351 14 2HD1 LEU 2 2HD1 LEU 2 -13.890 -1.314 -10.512 15 3HD1 LEU 2 3HD1 LEU 2 -13.983 0.436 -10.707 16 1HD2 LEU 2 1HD2 LEU 2 -11.486 -1.408 -7.830 17 2HD2 LEU 2 2HD2 LEU 2 -13.055 -2.074 -8.282 18 3HD2 LEU 2 3HD2 LEU 2 -11.704 -2.155 -9.412 19 H VAL 3 H VAL 3 -9.328 1.067 -7.439 20 HA VAL 3 HA VAL 3 -7.425 2.873 -8.675 21 HB VAL 3 HB VAL 3 -8.050 2.953 -5.729 22 1HG1 VAL 3 1HG1 VAL 3 -5.643 2.595 -5.911 23 2HG1 VAL 3 2HG1 VAL 3 -5.520 3.945 -7.044 24 3HG1 VAL 3 3HG1 VAL 3 -5.996 4.239 -5.371 25 1HG2 VAL 3 1HG2 VAL 3 -7.945 4.941 -7.960 26 2HG2 VAL 3 2HG2 VAL 3 -9.242 4.620 -6.809 27 3HG2 VAL 3 3HG2 VAL 3 -7.783 5.460 -6.283 28 H GLU 4 H GLU 4 -5.203 2.302 -8.194 29 HA GLU 4 HA GLU 4 -4.828 -0.388 -7.091 30 1HB GLU 4 1HB GLU 4 -2.996 -0.349 -9.133 31 2HB GLU 4 2HB GLU 4 -4.539 -1.187 -9.174 32 1HG GLU 4 1HG GLU 4 -5.569 0.654 -10.321 33 2HG GLU 4 2HG GLU 4 -4.106 1.624 -10.156 34 H LEU 5 H LEU 5 -3.731 0.222 -5.290 35 HA LEU 5 HA LEU 5 -1.867 2.326 -5.166 36 1HB LEU 5 1HB LEU 5 -2.452 -0.043 -3.430 37 2HB LEU 5 2HB LEU 5 -1.057 0.962 -3.091 38 HG LEU 5 HG LEU 5 -3.893 1.987 -3.238 39 1HD1 LEU 5 1HD1 LEU 5 -2.453 0.629 -1.123 40 2HD1 LEU 5 2HD1 LEU 5 -2.976 2.243 -0.643 41 3HD1 LEU 5 3HD1 LEU 5 -4.157 1.071 -1.229 42 1HD2 LEU 5 1HD2 LEU 5 -1.642 3.422 -3.585 43 2HD2 LEU 5 2HD2 LEU 5 -3.099 4.057 -2.821 44 3HD2 LEU 5 3HD2 LEU 5 -1.768 3.465 -1.827 45 H LYS 6 H LYS 6 0.248 2.464 -5.632 46 HA LYS 6 HA LYS 6 1.672 -0.023 -6.303 47 1HB LYS 6 1HB LYS 6 2.287 2.494 -7.789 48 2HB LYS 6 2HB LYS 6 2.497 0.823 -8.288 49 1HG LYS 6 1HG LYS 6 -0.253 1.143 -7.967 50 2HG LYS 6 2HG LYS 6 0.302 2.614 -8.770 51 1HD LYS 6 1HD LYS 6 0.967 -0.186 -9.676 52 2HD LYS 6 2HD LYS 6 -0.343 0.793 -10.338 53 1HE LYS 6 1HE LYS 6 2.282 2.112 -10.260 54 2HE LYS 6 2HE LYS 6 2.182 0.716 -11.334 55 1HZ LYS 6 1HZ LYS 6 -0.103 2.117 -11.840 56 2HZ LYS 6 2HZ LYS 6 1.063 3.327 -11.646 57 3HZ LYS 6 3HZ LYS 6 1.293 2.110 -12.798 58 H VAL 7 H VAL 7 2.373 0.277 -4.036 59 HA VAL 7 HA VAL 7 3.946 0.770 -2.490 60 HB VAL 7 HB VAL 7 5.477 1.528 -4.965 61 1HG1 VAL 7 1HG1 VAL 7 6.405 2.608 -2.921 62 2HG1 VAL 7 2HG1 VAL 7 6.593 1.005 -2.213 63 3HG1 VAL 7 3HG1 VAL 7 7.501 1.441 -3.658 64 1HG2 VAL 7 1HG2 VAL 7 4.752 -0.805 -4.847 65 2HG2 VAL 7 2HG2 VAL 7 6.505 -0.659 -4.730 66 3HG2 VAL 7 3HG2 VAL 7 5.547 -0.967 -3.282 67 HA PRO 8 HA PRO 8 3.524 5.102 -1.618 68 1HB PRO 8 1HB PRO 8 5.315 5.000 0.594 69 2HB PRO 8 2HB PRO 8 3.556 4.869 0.629 70 1HG PRO 8 1HG PRO 8 5.336 2.830 1.269 71 2HG PRO 8 2HG PRO 8 3.629 2.610 0.853 72 1HD PRO 8 1HD PRO 8 6.058 2.252 -0.843 73 2HD PRO 8 2HD PRO 8 4.542 1.330 -0.829 74 H ASP 9 H ASP 9 5.423 6.664 -0.304 75 HA ASP 9 HA ASP 9 7.397 7.045 -2.438 76 1HB ASP 9 1HB ASP 9 5.662 8.836 -1.617 77 2HB ASP 9 2HB ASP 9 6.824 9.077 -0.317 78 H ILE 10 H ILE 10 9.144 5.826 -1.860 79 HA ILE 10 HA ILE 10 10.253 6.262 0.832 80 HB ILE 10 HB ILE 10 11.689 4.156 -0.008 81 1HG1 ILE 10 1HG1 ILE 10 10.032 2.546 -1.047 82 2HG1 ILE 10 2HG1 ILE 10 9.018 3.941 -1.399 83 1HG2 ILE 10 1HG2 ILE 10 10.281 4.474 2.070 84 2HG2 ILE 10 2HG2 ILE 10 8.946 3.781 1.152 85 3HG2 ILE 10 3HG2 ILE 10 10.397 2.823 1.459 86 1HD1 ILE 10 1HD1 ILE 10 11.840 4.023 -2.290 87 2HD1 ILE 10 2HD1 ILE 10 10.722 2.969 -3.156 88 3HD1 ILE 10 3HD1 ILE 10 10.393 4.698 -3.036 89 H GLY 11 H GLY 11 11.010 8.324 -0.237 90 1HA GLY 11 1HA GLY 11 13.782 7.961 -0.967 91 2HA GLY 11 2HA GLY 11 12.970 9.491 -0.677 92 H GLY 12 H GLY 12 11.166 7.648 -2.830 93 1HA GLY 12 1HA GLY 12 11.987 9.366 -5.023 94 2HA GLY 12 2HA GLY 12 10.607 8.280 -5.007 95 H HIS 13 H HIS 13 13.036 6.406 -3.905 96 HA HIS 13 HA HIS 13 13.943 5.668 -6.603 97 1HB HIS 13 1HB HIS 13 15.843 4.554 -5.493 98 2HB HIS 13 2HB HIS 13 15.774 6.271 -5.115 99 HD1 HIS 13 HD1 HIS 13 14.825 6.866 -2.677 100 HD2 HIS 13 HD2 HIS 13 15.840 2.890 -3.327 101 HE1 HIS 13 HE1 HIS 13 15.024 5.840 -0.389 102 HE2 HIS 13 HE2 HIS 13 15.727 3.457 -0.806 103 H GLU 14 H GLU 14 14.627 3.207 -6.588 104 HA GLU 14 HA GLU 14 12.224 1.727 -5.768 105 1HB GLU 14 1HB GLU 14 12.925 0.079 -7.487 106 2HB GLU 14 2HB GLU 14 12.640 1.682 -8.147 107 1HG GLU 14 1HG GLU 14 15.346 1.645 -7.495 108 2HG GLU 14 2HG GLU 14 15.019 0.066 -8.208 109 H ASN 15 H ASN 15 13.013 -0.810 -5.801 110 HA ASN 15 HA ASN 15 13.766 -2.405 -4.368 111 1HB ASN 15 1HB ASN 15 16.174 -2.638 -4.254 112 2HB ASN 15 2HB ASN 15 15.710 -2.110 -5.868 113 1HD2 ASN 15 2HD2 ASN 15 16.141 0.031 -6.494 114 2HD2 ASN 15 1HD2 ASN 15 17.341 0.976 -5.687 115 H VAL 16 H VAL 16 12.580 -1.796 -2.548 116 HA VAL 16 HA VAL 16 14.243 -0.779 -0.363 117 HB VAL 16 HB VAL 16 12.533 0.666 0.498 118 1HG1 VAL 16 1HG1 VAL 16 12.992 1.093 -2.445 119 2HG1 VAL 16 2HG1 VAL 16 12.288 2.301 -1.371 120 3HG1 VAL 16 3HG1 VAL 16 13.936 1.736 -1.101 121 1HG2 VAL 16 1HG2 VAL 16 10.795 -0.924 -1.110 122 2HG2 VAL 16 2HG2 VAL 16 10.380 0.267 0.122 123 3HG2 VAL 16 3HG2 VAL 16 10.593 0.769 -1.555 124 H ASP 17 H ASP 17 11.979 -0.855 1.515 125 HA ASP 17 HA ASP 17 11.054 -3.604 1.393 126 1HB ASP 17 1HB ASP 17 13.403 -3.006 2.779 127 2HB ASP 17 2HB ASP 17 12.165 -3.112 4.027 128 H ILE 18 H ILE 18 9.157 -3.935 2.441 129 HA ILE 18 HA ILE 18 7.740 -1.633 3.399 130 HB ILE 18 HB ILE 18 6.986 -4.552 3.182 131 1HG1 ILE 18 1HG1 ILE 18 5.526 -2.432 1.739 132 2HG1 ILE 18 2HG1 ILE 18 7.195 -2.679 1.237 133 1HG2 ILE 18 1HG2 ILE 18 5.308 -2.242 4.149 134 2HG2 ILE 18 2HG2 ILE 18 4.664 -3.814 3.677 135 3HG2 ILE 18 3HG2 ILE 18 5.759 -3.687 5.054 136 1HD1 ILE 18 1HD1 ILE 18 5.907 -5.212 1.483 137 2HD1 ILE 18 2HD1 ILE 18 4.922 -4.144 0.483 138 3HD1 ILE 18 3HD1 ILE 18 6.606 -4.448 0.055 139 H ILE 19 H ILE 19 6.595 -1.663 5.507 140 HA ILE 19 HA ILE 19 8.088 -3.154 7.550 141 HB ILE 19 HB ILE 19 9.185 -1.262 8.075 142 1HG1 ILE 19 1HG1 ILE 19 6.494 -0.572 9.261 143 2HG1 ILE 19 2HG1 ILE 19 7.794 -1.472 10.036 144 1HG2 ILE 19 1HG2 ILE 19 7.893 -0.138 6.015 145 2HG2 ILE 19 2HG2 ILE 19 7.206 0.794 7.338 146 3HG2 ILE 19 3HG2 ILE 19 8.948 0.755 7.102 147 1HD1 ILE 19 1HD1 ILE 19 8.707 1.116 9.174 148 2HD1 ILE 19 2HD1 ILE 19 7.279 1.250 10.199 149 3HD1 ILE 19 3HD1 ILE 19 8.707 0.398 10.786 150 H ALA 20 H ALA 20 5.073 -2.279 6.333 151 HA ALA 20 HA ALA 20 3.797 -3.444 8.666 152 1HB ALA 20 1HB ALA 20 3.947 -0.859 8.833 153 2HB ALA 20 2HB ALA 20 2.645 -0.887 7.643 154 3HB ALA 20 3HB ALA 20 2.423 -1.668 9.207 155 H VAL 21 H VAL 21 1.755 -4.323 8.262 156 HA VAL 21 HA VAL 21 0.746 -4.183 5.519 157 HB VAL 21 HB VAL 21 1.311 -6.782 6.957 158 1HG1 VAL 21 1HG1 VAL 21 -0.120 -6.164 4.386 159 2HG1 VAL 21 2HG1 VAL 21 0.598 -7.743 4.705 160 3HG1 VAL 21 3HG1 VAL 21 -0.680 -7.128 5.754 161 1HG2 VAL 21 1HG2 VAL 21 2.856 -5.176 5.120 162 2HG2 VAL 21 2HG2 VAL 21 3.324 -6.614 6.028 163 3HG2 VAL 21 3HG2 VAL 21 2.535 -6.779 4.459 164 H GLU 22 H GLU 22 -1.355 -3.762 5.564 165 HA GLU 22 HA GLU 22 -3.031 -4.987 7.621 166 1HB GLU 22 1HB GLU 22 -2.976 -2.022 7.038 167 2HB GLU 22 2HB GLU 22 -4.184 -2.826 8.030 168 1HG GLU 22 1HG GLU 22 -2.880 -2.713 9.811 169 2HG GLU 22 2HG GLU 22 -1.557 -3.502 8.953 170 H VAL 23 H VAL 23 -2.625 -5.355 4.729 171 HA VAL 23 HA VAL 23 -5.340 -4.676 3.799 172 HB VAL 23 HB VAL 23 -4.336 -4.998 1.469 173 1HG1 VAL 23 1HG1 VAL 23 -4.260 -2.741 3.273 174 2HG1 VAL 23 2HG1 VAL 23 -3.002 -2.629 2.042 175 3HG1 VAL 23 3HG1 VAL 23 -4.691 -2.802 1.564 176 1HG2 VAL 23 1HG2 VAL 23 -2.198 -5.990 2.584 177 2HG2 VAL 23 2HG2 VAL 23 -2.052 -4.983 1.144 178 3HG2 VAL 23 3HG2 VAL 23 -1.723 -4.297 2.734 179 H ASN 24 H ASN 24 -6.658 -6.328 3.437 180 HA ASN 24 HA ASN 24 -5.534 -8.943 2.729 181 1HB ASN 24 1HB ASN 24 -7.278 -8.286 5.063 182 2HB ASN 24 2HB ASN 24 -7.463 -9.848 4.272 183 1HD2 ASN 24 2HD2 ASN 24 -5.904 -8.231 6.677 184 2HD2 ASN 24 1HD2 ASN 24 -4.562 -9.294 6.914 185 H VAL 25 H VAL 25 -7.311 -6.593 1.603 186 HA VAL 25 HA VAL 25 -8.947 -6.391 0.041 187 HB VAL 25 HB VAL 25 -8.613 -9.384 -0.176 188 1HG1 VAL 25 1HG1 VAL 25 -10.784 -8.544 -1.055 189 2HG1 VAL 25 2HG1 VAL 25 -9.885 -7.503 -2.159 190 3HG1 VAL 25 3HG1 VAL 25 -9.745 -9.256 -2.290 191 1HG2 VAL 25 1HG2 VAL 25 -6.644 -7.788 -0.653 192 2HG2 VAL 25 2HG2 VAL 25 -7.044 -9.021 -1.851 193 3HG2 VAL 25 3HG2 VAL 25 -7.552 -7.351 -2.101 194 H GLY 26 H GLY 26 -11.048 -6.000 0.344 195 1HA GLY 26 1HA GLY 26 -12.603 -7.915 1.965 196 2HA GLY 26 2HA GLY 26 -13.288 -6.864 0.734 197 H ASP 27 H ASP 27 -10.892 -5.548 2.841 198 HA ASP 27 HA ASP 27 -12.737 -4.598 4.827 199 1HB ASP 27 1HB ASP 27 -9.832 -3.996 4.268 200 2HB ASP 27 2HB ASP 27 -10.730 -3.237 5.579 201 H THR 28 H THR 28 -13.289 -2.407 5.227 202 HA THR 28 HA THR 28 -13.737 -0.903 2.797 203 HB THR 28 HB THR 28 -14.509 -0.212 5.637 204 HG1 THR 28 HG1 THR 28 -15.379 -2.226 4.843 205 1HG2 THR 28 1HG2 THR 28 -14.651 1.689 4.108 206 2HG2 THR 28 2HG2 THR 28 -15.674 0.737 3.032 207 3HG2 THR 28 3HG2 THR 28 -16.242 1.153 4.648 208 H ILE 29 H ILE 29 -12.416 0.615 2.063 209 HA ILE 29 HA ILE 29 -10.501 1.839 3.934 210 HB ILE 29 HB ILE 29 -9.179 2.419 1.905 211 1HG1 ILE 29 1HG1 ILE 29 -10.289 0.467 0.127 212 2HG1 ILE 29 2HG1 ILE 29 -11.558 1.594 0.592 213 1HG2 ILE 29 1HG2 ILE 29 -9.767 -0.510 2.314 214 2HG2 ILE 29 2HG2 ILE 29 -8.339 0.143 1.511 215 3HG2 ILE 29 3HG2 ILE 29 -8.612 0.465 3.224 216 1HD1 ILE 29 1HD1 ILE 29 -9.733 3.383 0.021 217 2HD1 ILE 29 2HD1 ILE 29 -9.071 2.071 -0.950 218 3HD1 ILE 29 3HD1 ILE 29 -10.713 2.643 -1.243 219 H ALA 30 H ALA 30 -10.034 4.085 3.743 220 HA ALA 30 HA ALA 30 -12.043 5.675 2.304 221 1HB ALA 30 1HB ALA 30 -11.327 6.934 4.795 222 2HB ALA 30 2HB ALA 30 -12.922 6.533 4.158 223 3HB ALA 30 3HB ALA 30 -12.011 5.332 5.074 224 H VAL 31 H VAL 31 -11.305 8.168 2.774 225 HA VAL 31 HA VAL 31 -8.692 8.321 1.523 226 HB VAL 31 HB VAL 31 -10.430 10.669 2.249 227 1HG1 VAL 31 1HG1 VAL 31 -8.194 10.157 0.326 228 2HG1 VAL 31 2HG1 VAL 31 -9.350 11.456 0.033 229 3HG1 VAL 31 3HG1 VAL 31 -8.379 11.455 1.505 230 1HG2 VAL 31 1HG2 VAL 31 -10.712 8.750 -0.044 231 2HG2 VAL 31 2HG2 VAL 31 -11.949 9.326 1.073 232 3HG2 VAL 31 3HG2 VAL 31 -11.287 10.414 -0.147 233 H ASP 32 H ASP 32 -8.332 7.401 4.056 234 HA ASP 32 HA ASP 32 -6.367 8.939 5.143 235 1HB ASP 32 1HB ASP 32 -7.665 9.821 7.233 236 2HB ASP 32 2HB ASP 32 -7.683 10.762 5.745 237 H ASP 33 H ASP 33 -5.925 6.579 5.176 238 HA ASP 33 HA ASP 33 -6.222 5.579 7.856 239 1HB ASP 33 1HB ASP 33 -7.138 3.327 6.895 240 2HB ASP 33 2HB ASP 33 -8.259 4.639 7.245 241 H THR 34 H THR 34 -4.257 4.847 8.321 242 HA THR 34 HA THR 34 -2.266 4.343 6.428 243 HB THR 34 HB THR 34 -1.358 2.958 8.535 244 HG1 THR 34 HG1 THR 34 -2.150 3.908 10.406 245 1HG2 THR 34 1HG2 THR 34 -0.318 4.950 7.527 246 2HG2 THR 34 2HG2 THR 34 -1.425 5.956 8.464 247 3HG2 THR 34 3HG2 THR 34 -0.250 4.934 9.291 248 H LEU 35 H LEU 35 -2.066 2.763 5.048 249 HA LEU 35 HA LEU 35 -3.425 0.226 5.523 250 1HB LEU 35 1HB LEU 35 -1.939 1.165 3.067 251 2HB LEU 35 2HB LEU 35 -2.964 -0.254 3.187 252 HG LEU 35 HG LEU 35 -3.866 2.618 3.370 253 1HD1 LEU 35 1HD1 LEU 35 -3.727 0.630 1.206 254 2HD1 LEU 35 2HD1 LEU 35 -5.248 1.511 1.340 255 3HD1 LEU 35 3HD1 LEU 35 -3.733 2.393 1.137 256 1HD2 LEU 35 1HD2 LEU 35 -5.273 0.027 3.866 257 2HD2 LEU 35 2HD2 LEU 35 -5.340 1.531 4.784 258 3HD2 LEU 35 3HD2 LEU 35 -6.158 1.411 3.225 259 H ILE 36 H ILE 36 -0.202 1.512 4.815 260 HA ILE 36 HA ILE 36 0.986 -0.680 6.285 261 HB ILE 36 HB ILE 36 2.626 -1.208 4.459 262 1HG1 ILE 36 1HG1 ILE 36 2.285 -0.655 2.234 263 2HG1 ILE 36 2HG1 ILE 36 0.589 -0.256 2.476 264 1HG2 ILE 36 1HG2 ILE 36 0.320 -2.364 5.115 265 2HG2 ILE 36 2HG2 ILE 36 0.012 -2.044 3.410 266 3HG2 ILE 36 3HG2 ILE 36 1.413 -3.003 3.889 267 1HD1 ILE 36 1HD1 ILE 36 1.291 1.807 3.634 268 2HD1 ILE 36 2HD1 ILE 36 2.970 1.398 3.283 269 3HD1 ILE 36 3HD1 ILE 36 1.846 1.724 1.964 270 H THR 37 H THR 37 3.524 -0.458 5.959 271 HA THR 37 HA THR 37 4.256 2.377 6.012 272 HB THR 37 HB THR 37 5.420 0.423 7.984 273 HG1 THR 37 HG1 THR 37 3.905 1.282 9.491 274 1HG2 THR 37 1HG2 THR 37 6.557 2.601 7.618 275 2HG2 THR 37 2HG2 THR 37 5.088 3.404 8.173 276 3HG2 THR 37 3HG2 THR 37 5.984 2.352 9.267 277 H LEU 38 H LEU 38 6.353 2.795 5.261 278 HA LEU 38 HA LEU 38 7.787 0.464 4.178 279 1HB LEU 38 1HB LEU 38 6.545 2.569 2.749 280 2HB LEU 38 2HB LEU 38 8.276 2.779 2.589 281 HG LEU 38 HG LEU 38 8.200 0.207 1.992 282 1HD1 LEU 38 1HD1 LEU 38 5.411 1.021 1.988 283 2HD1 LEU 38 2HD1 LEU 38 5.927 0.343 0.443 284 3HD1 LEU 38 3HD1 LEU 38 6.121 -0.592 1.926 285 1HD2 LEU 38 1HD2 LEU 38 7.612 2.579 0.257 286 2HD2 LEU 38 2HD2 LEU 38 9.120 1.689 0.447 287 3HD2 LEU 38 3HD2 LEU 38 7.773 0.960 -0.427 288 H GLU 39 H GLU 39 10.006 1.579 3.187 289 HA GLU 39 HA GLU 39 11.201 3.564 4.809 290 1HB GLU 39 1HB GLU 39 10.956 1.435 6.300 291 2HB GLU 39 2HB GLU 39 12.342 0.867 5.382 292 1HG GLU 39 1HG GLU 39 13.759 2.410 6.293 293 2HG GLU 39 2HG GLU 39 12.469 3.566 6.615 294 H THR 40 H THR 40 13.675 3.493 4.564 295 HA THR 40 HA THR 40 14.514 2.245 2.057 296 HB THR 40 HB THR 40 15.081 4.194 0.962 297 HG1 THR 40 HG1 THR 40 15.879 5.905 1.925 298 1HG2 THR 40 1HG2 THR 40 12.548 4.158 1.699 299 2HG2 THR 40 2HG2 THR 40 13.036 5.631 2.534 300 3HG2 THR 40 3HG2 THR 40 13.247 5.494 0.790 301 H ASP 41 H ASP 41 16.953 3.766 1.922 302 HA ASP 41 HA ASP 41 18.557 2.238 3.676 303 1HB ASP 41 1HB ASP 41 18.962 4.110 1.505 304 2HB ASP 41 2HB ASP 41 20.115 4.399 2.805 305 H LYS 42 H LYS 42 16.920 5.229 4.057 306 HA LYS 42 HA LYS 42 17.591 5.426 6.792 307 1HB LYS 42 1HB LYS 42 19.736 6.225 5.901 308 2HB LYS 42 2HB LYS 42 18.896 7.469 4.986 309 1HG LYS 42 1HG LYS 42 19.245 8.807 6.721 310 2HG LYS 42 2HG LYS 42 18.022 7.864 7.576 311 1HD LYS 42 1HD LYS 42 19.661 6.491 8.595 312 2HD LYS 42 2HD LYS 42 20.931 7.093 7.528 313 1HE LYS 42 1HE LYS 42 21.411 8.694 8.987 314 2HE LYS 42 2HE LYS 42 19.766 9.314 8.862 315 1HZ LYS 42 1HZ LYS 42 19.790 7.008 10.484 316 2HZ LYS 42 2HZ LYS 42 20.955 8.096 11.053 317 3HZ LYS 42 3HZ LYS 42 19.345 8.587 10.896 318 H ALA 43 H ALA 43 15.171 5.335 5.731 319 HA ALA 43 HA ALA 43 13.928 7.702 6.641 320 1HB ALA 43 1HB ALA 43 14.657 7.658 3.842 321 2HB ALA 43 2HB ALA 43 14.020 8.980 4.822 322 3HB ALA 43 3HB ALA 43 12.916 7.834 4.061 323 H THR 44 H THR 44 11.870 7.272 7.208 324 HA THR 44 HA THR 44 10.730 4.717 6.298 325 HB THR 44 HB THR 44 9.364 4.819 8.372 326 HG1 THR 44 HG1 THR 44 9.982 6.379 9.936 327 1HG2 THR 44 1HG2 THR 44 12.239 4.500 8.306 328 2HG2 THR 44 2HG2 THR 44 11.655 5.012 9.889 329 3HG2 THR 44 3HG2 THR 44 11.010 3.551 9.141 330 H MET 45 H MET 45 8.462 4.588 5.875 331 HA MET 45 HA MET 45 6.961 7.056 5.620 332 1HB MET 45 1HB MET 45 8.416 6.142 3.425 333 2HB MET 45 2HB MET 45 6.771 5.600 3.116 334 1HG MET 45 1HG MET 45 6.772 8.316 4.049 335 2HG MET 45 2HG MET 45 7.851 8.135 2.666 336 1HE MET 45 1HE MET 45 5.465 9.941 2.905 337 2HE MET 45 2HE MET 45 5.881 9.900 1.191 338 3HE MET 45 3HE MET 45 4.215 9.623 1.701 339 H ASP 46 H ASP 46 4.843 6.280 4.158 340 HA ASP 46 HA ASP 46 3.868 3.680 4.595 341 1HB ASP 46 1HB ASP 46 2.121 4.371 6.357 342 2HB ASP 46 2HB ASP 46 3.760 4.050 6.913 343 H VAL 47 H VAL 47 1.338 3.689 4.430 344 HA VAL 47 HA VAL 47 0.547 5.892 2.638 345 HB VAL 47 HB VAL 47 -0.065 2.958 2.265 346 1HG1 VAL 47 1HG1 VAL 47 -1.599 5.200 1.492 347 2HG1 VAL 47 2HG1 VAL 47 -0.816 4.584 0.035 348 3HG1 VAL 47 3HG1 VAL 47 -1.818 3.514 1.016 349 1HG2 VAL 47 1HG2 VAL 47 2.216 3.745 1.610 350 2HG2 VAL 47 2HG2 VAL 47 1.259 3.089 0.283 351 3HG2 VAL 47 3HG2 VAL 47 1.447 4.833 0.457 352 HA PRO 48 HA PRO 48 -2.958 5.842 5.445 353 1HB PRO 48 1HB PRO 48 -3.838 8.297 4.933 354 2HB PRO 48 2HB PRO 48 -2.300 8.050 5.771 355 1HG PRO 48 1HG PRO 48 -2.813 8.831 2.944 356 2HG PRO 48 2HG PRO 48 -1.502 9.326 4.027 357 1HD PRO 48 1HD PRO 48 -1.390 7.312 2.051 358 2HD PRO 48 2HD PRO 48 -0.182 7.626 3.312 359 H ALA 49 H ALA 49 -3.083 4.725 2.644 360 HA ALA 49 HA ALA 49 -4.598 4.204 1.018 361 1HB ALA 49 1HB ALA 49 -6.904 4.492 2.808 362 2HB ALA 49 2HB ALA 49 -5.594 3.490 3.430 363 3HB ALA 49 3HB ALA 49 -6.347 3.099 1.884 364 H GLU 50 H GLU 50 -4.530 5.944 -0.367 365 HA GLU 50 HA GLU 50 -6.295 8.208 0.132 366 1HB GLU 50 1HB GLU 50 -4.112 7.654 -1.851 367 2HB GLU 50 2HB GLU 50 -5.264 8.950 -2.143 368 1HG GLU 50 1HG GLU 50 -4.253 10.302 -0.703 369 2HG GLU 50 2HG GLU 50 -4.180 9.052 0.538 370 H VAL 51 H VAL 51 -7.993 6.372 -0.037 371 HA VAL 51 HA VAL 51 -9.329 6.741 -2.556 372 HB VAL 51 HB VAL 51 -9.587 4.016 -2.455 373 1HG1 VAL 51 1HG1 VAL 51 -8.761 5.938 -4.243 374 2HG1 VAL 51 2HG1 VAL 51 -7.382 4.842 -4.160 375 3HG1 VAL 51 3HG1 VAL 51 -8.975 4.222 -4.589 376 1HG2 VAL 51 1HG2 VAL 51 -6.757 4.715 -1.684 377 2HG2 VAL 51 2HG2 VAL 51 -7.856 3.587 -0.893 378 3HG2 VAL 51 3HG2 VAL 51 -7.183 3.198 -2.475 379 H ALA 52 H ALA 52 -11.528 6.182 -2.486 380 HA ALA 52 HA ALA 52 -12.546 5.588 0.221 381 1HB ALA 52 1HB ALA 52 -13.983 7.147 -1.912 382 2HB ALA 52 2HB ALA 52 -14.401 6.994 -0.203 383 3HB ALA 52 3HB ALA 52 -12.960 7.892 -0.678 384 H GLY 53 H GLY 53 -12.395 3.277 -0.503 385 1HA GLY 53 1HA GLY 53 -13.707 2.136 -2.609 386 2HA GLY 53 2HA GLY 53 -14.983 2.462 -1.453 387 H VAL 54 H VAL 54 -13.409 0.028 -2.588 388 HA VAL 54 HA VAL 54 -12.786 -1.284 -0.034 389 HB VAL 54 HB VAL 54 -14.605 -2.396 -2.178 390 1HG1 VAL 54 1HG1 VAL 54 -12.954 -3.745 -0.300 391 2HG1 VAL 54 2HG1 VAL 54 -14.631 -3.947 0.206 392 3HG1 VAL 54 3HG1 VAL 54 -14.135 -4.431 -1.415 393 1HG2 VAL 54 1HG2 VAL 54 -15.084 -1.223 0.527 394 2HG2 VAL 54 2HG2 VAL 54 -15.971 -0.982 -0.978 395 3HG2 VAL 54 3HG2 VAL 54 -16.155 -2.487 -0.078 396 H VAL 55 H VAL 55 -11.119 -2.753 -0.137 397 HA VAL 55 HA VAL 55 -9.481 -2.708 -2.478 398 HB VAL 55 HB VAL 55 -9.171 -4.416 -0.008 399 1HG1 VAL 55 1HG1 VAL 55 -7.961 -5.238 -2.031 400 2HG1 VAL 55 2HG1 VAL 55 -7.115 -3.690 -2.100 401 3HG1 VAL 55 3HG1 VAL 55 -6.891 -4.756 -0.713 402 1HG2 VAL 55 1HG2 VAL 55 -9.141 -1.803 0.127 403 2HG2 VAL 55 2HG2 VAL 55 -7.909 -2.750 0.961 404 3HG2 VAL 55 3HG2 VAL 55 -7.537 -1.985 -0.584 405 H LYS 56 H LYS 56 -8.932 -4.363 -3.843 406 HA LYS 56 HA LYS 56 -10.769 -6.668 -3.860 407 1HB LYS 56 1HB LYS 56 -9.489 -6.289 -6.402 408 2HB LYS 56 2HB LYS 56 -11.208 -6.292 -6.025 409 1HG LYS 56 1HG LYS 56 -9.518 -3.853 -5.603 410 2HG LYS 56 2HG LYS 56 -10.221 -4.233 -7.174 411 1HD LYS 56 1HD LYS 56 -11.866 -4.087 -4.659 412 2HD LYS 56 2HD LYS 56 -11.557 -2.676 -5.672 413 1HE LYS 56 1HE LYS 56 -12.551 -3.848 -7.586 414 2HE LYS 56 2HE LYS 56 -12.880 -5.239 -6.553 415 1HZ LYS 56 1HZ LYS 56 -13.909 -2.762 -5.514 416 2HZ LYS 56 2HZ LYS 56 -14.586 -3.195 -7.003 417 3HZ LYS 56 3HZ LYS 56 -14.674 -4.262 -5.692 418 H GLU 57 H GLU 57 -7.530 -5.526 -4.674 419 HA GLU 57 HA GLU 57 -6.605 -8.280 -4.417 420 1HB GLU 57 1HB GLU 57 -5.845 -6.081 -6.241 421 2HB GLU 57 2HB GLU 57 -4.540 -7.118 -5.680 422 1HG GLU 57 1HG GLU 57 -5.472 -9.021 -6.667 423 2HG GLU 57 2HG GLU 57 -7.046 -8.251 -6.868 424 H VAL 58 H VAL 58 -4.158 -8.332 -3.858 425 HA VAL 58 HA VAL 58 -3.204 -6.285 -2.079 426 HB VAL 58 HB VAL 58 -4.744 -7.384 -0.553 427 1HG1 VAL 58 1HG1 VAL 58 -3.895 -9.734 -1.919 428 2HG1 VAL 58 2HG1 VAL 58 -3.574 -9.931 -0.196 429 3HG1 VAL 58 3HG1 VAL 58 -5.202 -9.543 -0.752 430 1HG2 VAL 58 1HG2 VAL 58 -2.044 -6.975 -0.108 431 2HG2 VAL 58 2HG2 VAL 58 -3.288 -7.195 1.123 432 3HG2 VAL 58 3HG2 VAL 58 -2.348 -8.578 0.562 433 H LYS 59 H LYS 59 -1.131 -6.206 -2.587 434 HA LYS 59 HA LYS 59 0.366 -8.719 -2.880 435 1HB LYS 59 1HB LYS 59 1.001 -6.369 -4.617 436 2HB LYS 59 2HB LYS 59 1.360 -8.072 -4.877 437 1HG LYS 59 1HG LYS 59 -1.360 -8.089 -4.882 438 2HG LYS 59 2HG LYS 59 -1.011 -6.513 -5.596 439 1HD LYS 59 1HD LYS 59 0.753 -8.040 -6.939 440 2HD LYS 59 2HD LYS 59 -0.522 -9.224 -6.648 441 1HE LYS 59 1HE LYS 59 -1.990 -7.099 -7.451 442 2HE LYS 59 2HE LYS 59 -0.508 -6.831 -8.368 443 1HZ LYS 59 1HZ LYS 59 -0.804 -9.342 -8.929 444 2HZ LYS 59 2HZ LYS 59 -2.424 -9.047 -8.542 445 3HZ LYS 59 3HZ LYS 59 -1.676 -8.171 -9.782 446 H VAL 60 H VAL 60 1.005 -8.221 -0.669 447 HA VAL 60 HA VAL 60 3.511 -6.949 -0.540 448 HB VAL 60 HB VAL 60 2.647 -4.826 -0.540 449 1HG1 VAL 60 1HG1 VAL 60 0.258 -5.827 0.997 450 2HG1 VAL 60 2HG1 VAL 60 0.519 -4.152 0.513 451 3HG1 VAL 60 3HG1 VAL 60 0.316 -5.403 -0.715 452 1HG2 VAL 60 1HG2 VAL 60 3.851 -5.339 1.653 453 2HG2 VAL 60 2HG2 VAL 60 2.882 -3.869 1.585 454 3HG2 VAL 60 3HG2 VAL 60 2.254 -5.302 2.398 455 H LYS 61 H LYS 61 4.519 -7.146 1.490 456 HA LYS 61 HA LYS 61 3.060 -8.623 3.557 457 1HB LYS 61 1HB LYS 61 4.935 -9.799 1.786 458 2HB LYS 61 2HB LYS 61 5.714 -9.684 3.358 459 1HG LYS 61 1HG LYS 61 4.711 -11.651 3.726 460 2HG LYS 61 2HG LYS 61 3.296 -10.654 4.073 461 1HD LYS 61 1HD LYS 61 2.253 -11.226 2.137 462 2HD LYS 61 2HD LYS 61 3.765 -11.368 1.239 463 1HE LYS 61 1HE LYS 61 4.166 -13.454 2.714 464 2HE LYS 61 2HE LYS 61 2.434 -13.366 3.031 465 1HZ LYS 61 1HZ LYS 61 2.567 -13.131 0.343 466 2HZ LYS 61 2HZ LYS 61 3.825 -14.217 0.662 467 3HZ LYS 61 3HZ LYS 61 2.253 -14.569 1.177 468 H VAL 62 H VAL 62 4.586 -8.901 5.539 469 HA VAL 62 HA VAL 62 5.656 -6.249 6.105 470 HB VAL 62 HB VAL 62 4.061 -7.314 7.688 471 1HG1 VAL 62 1HG1 VAL 62 5.904 -9.496 7.450 472 2HG1 VAL 62 2HG1 VAL 62 5.764 -9.007 9.139 473 3HG1 VAL 62 3HG1 VAL 62 4.321 -9.449 8.227 474 1HG2 VAL 62 1HG2 VAL 62 6.513 -5.993 8.262 475 2HG2 VAL 62 2HG2 VAL 62 4.987 -5.924 9.144 476 3HG2 VAL 62 3HG2 VAL 62 6.188 -7.151 9.551 477 H GLY 63 H GLY 63 7.333 -7.345 4.384 478 1HA GLY 63 1HA GLY 63 9.423 -8.828 5.748 479 2HA GLY 63 2HA GLY 63 9.828 -7.167 5.344 480 H ASP 64 H ASP 64 8.818 -6.771 2.899 481 HA ASP 64 HA ASP 64 10.238 -8.768 1.269 482 1HB ASP 64 1HB ASP 64 8.491 -8.216 -0.536 483 2HB ASP 64 2HB ASP 64 7.987 -9.259 0.790 484 H LYS 65 H LYS 65 10.256 -7.685 -1.145 485 HA LYS 65 HA LYS 65 11.612 -5.109 -0.741 486 1HB LYS 65 1HB LYS 65 12.029 -7.383 -2.631 487 2HB LYS 65 2HB LYS 65 12.483 -5.766 -3.151 488 1HG LYS 65 1HG LYS 65 13.436 -6.597 -0.485 489 2HG LYS 65 2HG LYS 65 14.143 -7.428 -1.872 490 1HD LYS 65 1HD LYS 65 13.936 -4.487 -2.070 491 2HD LYS 65 2HD LYS 65 15.091 -5.113 -0.892 492 1HE LYS 65 1HE LYS 65 15.779 -6.666 -2.909 493 2HE LYS 65 2HE LYS 65 15.074 -5.358 -3.858 494 1HZ LYS 65 1HZ LYS 65 16.565 -3.863 -2.433 495 2HZ LYS 65 2HZ LYS 65 17.411 -5.279 -2.060 496 3HZ LYS 65 3HZ LYS 65 17.289 -4.764 -3.668 497 H ILE 66 H ILE 66 11.265 -3.392 -2.193 498 HA ILE 66 HA ILE 66 9.002 -3.661 -4.027 499 HB ILE 66 HB ILE 66 8.895 -2.297 -1.505 500 1HG1 ILE 66 1HG1 ILE 66 6.524 -2.137 -2.049 501 2HG1 ILE 66 2HG1 ILE 66 6.871 -2.504 -3.736 502 1HG2 ILE 66 1HG2 ILE 66 9.690 -0.327 -2.870 503 2HG2 ILE 66 2HG2 ILE 66 8.172 -0.445 -3.761 504 3HG2 ILE 66 3HG2 ILE 66 8.156 -0.116 -2.029 505 1HD1 ILE 66 1HD1 ILE 66 7.774 -4.441 -1.685 506 2HD1 ILE 66 2HD1 ILE 66 6.048 -4.346 -2.039 507 3HD1 ILE 66 3HD1 ILE 66 7.195 -4.713 -3.329 508 H SER 67 H SER 67 8.762 -1.560 -5.355 509 HA SER 67 HA SER 67 11.211 -0.069 -5.739 510 1HB SER 67 1HB SER 67 11.032 -0.746 -8.295 511 2HB SER 67 2HB SER 67 11.956 -1.727 -7.159 512 HG SER 67 HG SER 67 10.105 -2.613 -8.665 513 H GLU 68 H GLU 68 8.875 0.949 -4.917 514 HA GLU 68 HA GLU 68 7.095 2.331 -5.386 515 1HB GLU 68 1HB GLU 68 9.276 3.390 -7.188 516 2HB GLU 68 2HB GLU 68 7.793 4.263 -6.831 517 1HG GLU 68 1HG GLU 68 8.382 4.235 -4.442 518 2HG GLU 68 2HG GLU 68 9.896 3.429 -4.848 519 H GLY 69 H GLY 69 6.155 0.283 -6.506 520 1HA GLY 69 1HA GLY 69 5.851 0.667 -9.390 521 2HA GLY 69 2HA GLY 69 4.406 0.799 -8.402 522 H GLY 70 H GLY 70 4.081 -1.140 -6.864 523 1HA GLY 70 1HA GLY 70 4.780 -3.556 -6.667 524 2HA GLY 70 2HA GLY 70 4.678 -3.583 -8.421 525 H LEU 71 H LEU 71 2.250 -1.690 -8.038 526 HA LEU 71 HA LEU 71 -0.013 -1.844 -7.729 527 1HB LEU 71 1HB LEU 71 0.330 -3.103 -9.812 528 2HB LEU 71 2HB LEU 71 0.527 -4.579 -8.887 529 HG LEU 71 HG LEU 71 -1.754 -4.646 -8.288 530 1HD1 LEU 71 1HD1 LEU 71 -1.637 -1.757 -8.797 531 2HD1 LEU 71 2HD1 LEU 71 -3.129 -2.546 -9.305 532 3HD1 LEU 71 3HD1 LEU 71 -2.593 -2.669 -7.629 533 1HD2 LEU 71 1HD2 LEU 71 -0.963 -4.638 -10.934 534 2HD2 LEU 71 2HD2 LEU 71 -2.488 -5.255 -10.300 535 3HD2 LEU 71 3HD2 LEU 71 -2.394 -3.607 -10.918 536 H ILE 72 H ILE 72 1.113 -2.175 -5.354 537 HA ILE 72 HA ILE 72 0.884 -4.451 -3.894 538 HB ILE 72 HB ILE 72 0.516 -1.572 -3.202 539 1HG1 ILE 72 1HG1 ILE 72 2.374 -3.360 -1.765 540 2HG1 ILE 72 2HG1 ILE 72 2.676 -3.164 -3.489 541 1HG2 ILE 72 1HG2 ILE 72 -0.434 -3.818 -1.540 542 2HG2 ILE 72 2HG2 ILE 72 0.610 -2.653 -0.723 543 3HG2 ILE 72 3HG2 ILE 72 -0.875 -2.109 -1.503 544 1HD1 ILE 72 1HD1 ILE 72 2.166 -0.656 -2.114 545 2HD1 ILE 72 2HD1 ILE 72 3.579 -1.521 -1.510 546 3HD1 ILE 72 3HD1 ILE 72 3.462 -1.106 -3.220 547 H VAL 73 H VAL 73 -1.685 -2.068 -3.348 548 HA VAL 73 HA VAL 73 -3.626 -4.280 -3.538 549 HB VAL 73 HB VAL 73 -4.930 -3.252 -1.768 550 1HG1 VAL 73 1HG1 VAL 73 -2.428 -4.485 -1.459 551 2HG1 VAL 73 2HG1 VAL 73 -2.493 -3.193 -0.259 552 3HG1 VAL 73 3HG1 VAL 73 -3.754 -4.425 -0.296 553 1HG2 VAL 73 1HG2 VAL 73 -2.791 -1.144 -1.849 554 2HG2 VAL 73 2HG2 VAL 73 -4.534 -0.944 -2.024 555 3HG2 VAL 73 3HG2 VAL 73 -3.847 -1.369 -0.456 556 H VAL 74 H VAL 74 -5.606 -3.898 -4.416 557 HA VAL 74 HA VAL 74 -5.947 -1.337 -5.850 558 HB VAL 74 HB VAL 74 -6.981 -4.087 -6.591 559 1HG1 VAL 74 1HG1 VAL 74 -8.348 -1.967 -7.197 560 2HG1 VAL 74 2HG1 VAL 74 -7.072 -1.696 -8.384 561 3HG1 VAL 74 3HG1 VAL 74 -8.030 -3.175 -8.442 562 1HG2 VAL 74 1HG2 VAL 74 -4.558 -2.580 -7.323 563 2HG2 VAL 74 2HG2 VAL 74 -4.854 -4.319 -7.303 564 3HG2 VAL 74 3HG2 VAL 74 -5.420 -3.343 -8.659 565 H VAL 75 H VAL 75 -7.896 -0.265 -5.612 566 HA VAL 75 HA VAL 75 -9.931 -1.590 -3.962 567 HB VAL 75 HB VAL 75 -10.314 0.807 -3.024 568 1HG1 VAL 75 1HG1 VAL 75 -8.277 -1.213 -2.214 569 2HG1 VAL 75 2HG1 VAL 75 -8.420 0.287 -1.301 570 3HG1 VAL 75 3HG1 VAL 75 -9.808 -0.790 -1.447 571 1HG2 VAL 75 1HG2 VAL 75 -8.182 1.372 -4.652 572 2HG2 VAL 75 2HG2 VAL 75 -8.747 2.371 -3.314 573 3HG2 VAL 75 3HG2 VAL 75 -7.433 1.222 -3.065 574 H GLU 76 H GLU 76 -11.971 -0.180 -3.857 575 HA GLU 76 HA GLU 76 -12.851 0.246 -6.581 576 1HB GLU 76 1HB GLU 76 -14.063 -0.705 -4.265 577 2HB GLU 76 2HB GLU 76 -14.775 0.890 -4.485 578 1HG GLU 76 1HG GLU 76 -15.441 0.287 -6.754 579 2HG GLU 76 2HG GLU 76 -14.726 -1.311 -6.537 580 H ALA 77 H ALA 77 -12.176 2.113 -3.707 581 HA ALA 77 HA ALA 77 -12.091 4.335 -3.268 582 1HB ALA 77 1HB ALA 77 -10.729 5.420 -4.662 583 2HB ALA 77 2HB ALA 77 -11.759 5.130 -6.064 584 3HB ALA 77 3HB ALA 77 -10.658 3.872 -5.503 585 H GLU 78 H GLU 78 -13.040 6.476 -3.631 586 HA GLU 78 HA GLU 78 -14.771 7.905 -3.965 587 1HB GLU 78 1HB GLU 78 -16.045 6.095 -5.957 588 2HB GLU 78 2HB GLU 78 -15.958 7.849 -5.934 589 1HG GLU 78 1HG GLU 78 -13.455 7.549 -6.348 590 2HG GLU 78 2HG GLU 78 -13.856 5.882 -6.759 591 H GLY 79 H GLY 79 -16.276 4.738 -4.570 592 1HA GLY 79 1HA GLY 79 -18.129 5.334 -2.347 593 2HA GLY 79 2HA GLY 79 -17.417 3.742 -2.554 594 H THR 80 H THR 80 -18.713 2.305 -3.454 595 HA THR 80 HA THR 80 -21.133 3.119 -4.774 596 HB THR 80 HB THR 80 -20.656 1.849 -6.866 597 HG1 THR 80 HG1 THR 80 -18.047 1.779 -5.771 598 1HG2 THR 80 1HG2 THR 80 -20.315 4.344 -6.698 599 2HG2 THR 80 2HG2 THR 80 -18.594 4.000 -6.525 600 3HG2 THR 80 3HG2 THR 80 -19.448 3.517 -7.991 601 H ALA 81 H ALA 81 -20.459 1.625 -2.433 602 HA ALA 81 HA ALA 81 -22.072 -0.709 -2.921 603 1HB ALA 81 1HB ALA 81 -20.180 -1.886 -3.487 604 2HB ALA 81 2HB ALA 81 -19.141 -0.940 -2.421 605 3HB ALA 81 3HB ALA 81 -20.230 -2.152 -1.744 No H/Q in entry = 605
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