NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | position | program | type |
1535 | 1aoy | cing | recoord | dress | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 HT3 MET 1 -27.718 9.854 6.519 2 2H MET 1 HT2 MET 1 -27.892 10.555 8.082 3 3H MET 1 HT1 MET 1 -26.379 9.886 7.596 4 HA MET 1 HA MET 1 -27.153 8.232 8.865 5 1HB MET 1 HB2 MET 1 -29.326 9.461 9.250 6 2HB MET 1 HB3 MET 1 -29.941 8.730 7.778 7 1HG MET 1 HG2 MET 1 -30.753 7.523 9.688 8 2HG MET 1 HG3 MET 1 -29.642 6.504 8.779 9 1HE MET 1 HE2 MET 1 -29.473 9.266 11.609 10 2HE MET 1 HE3 MET 1 -30.536 7.990 12.199 11 3HE MET 1 HE1 MET 1 -28.973 8.261 12.970 12 H ARG 2 HN ARG 2 -25.734 7.446 7.107 13 HA ARG 2 HA ARG 2 -27.082 5.383 5.533 14 1HB ARG 2 HB2 ARG 2 -26.877 7.365 4.050 15 2HB ARG 2 HB3 ARG 2 -25.137 7.350 4.280 16 1HG ARG 2 HG2 ARG 2 -25.604 6.349 2.177 17 2HG ARG 2 HG3 ARG 2 -25.111 5.060 3.274 18 1HD ARG 2 HD2 ARG 2 -27.250 4.197 3.445 19 2HD ARG 2 HD3 ARG 2 -28.010 5.705 2.937 20 HE ARG 2 HE ARG 2 -26.510 4.790 0.778 21 1HH1 ARG 2 HH12 ARG 2 -29.255 3.698 2.684 22 2HH1 ARG 2 HH11 ARG 2 -29.977 2.803 1.371 23 1HH2 ARG 2 HH22 ARG 2 -27.460 3.614 -0.948 24 2HH2 ARG 2 HH21 ARG 2 -28.953 2.754 -0.688 25 H SER 3 HN SER 3 -26.175 3.698 6.464 26 HA SER 3 HA SER 3 -23.269 3.654 6.984 27 1HB SER 3 HB2 SER 3 -25.364 1.717 8.014 28 2HB SER 3 HB3 SER 3 -23.687 1.860 8.544 29 HG SER 3 HG SER 3 -24.172 3.906 9.390 30 H SER 4 HN SER 4 -22.890 3.361 4.681 31 HA SER 4 HA SER 4 -23.530 0.675 3.637 32 1HB SER 4 HB2 SER 4 -22.420 3.009 2.057 33 2HB SER 4 HB3 SER 4 -23.156 1.529 1.435 34 HG SER 4 HG SER 4 -25.089 2.341 2.715 35 H ALA 5 HN ALA 5 -21.964 -0.784 3.871 36 HA ALA 5 HA ALA 5 -19.270 -0.066 4.551 37 1HB ALA 5 HB2 ALA 5 -20.471 -2.764 3.913 38 2HB ALA 5 HB3 ALA 5 -18.849 -2.498 4.551 39 3HB ALA 5 HB1 ALA 5 -20.257 -2.059 5.513 40 H LYS 6 HN LYS 6 -18.627 1.172 2.724 41 HA LYS 6 HA LYS 6 -18.296 -0.220 0.155 42 1HB LYS 6 HB2 LYS 6 -17.636 2.658 0.847 43 2HB LYS 6 HB3 LYS 6 -17.715 1.949 -0.762 44 1HG LYS 6 HG2 LYS 6 -20.175 1.464 -0.210 45 2HG LYS 6 HG3 LYS 6 -19.957 2.607 1.115 46 1HD LYS 6 HD2 LYS 6 -18.911 4.057 -0.895 47 2HD LYS 6 HD3 LYS 6 -20.057 3.075 -1.806 48 1HE LYS 6 HE2 LYS 6 -21.201 5.050 -1.207 49 2HE LYS 6 HE3 LYS 6 -21.821 3.779 -0.160 50 1HZ LYS 6 HZ3 LYS 6 -19.962 4.661 1.433 51 2HZ LYS 6 HZ2 LYS 6 -20.119 6.077 0.504 52 3HZ LYS 6 HZ1 LYS 6 -21.468 5.454 1.340 53 H GLN 7 HN GLN 7 -16.127 0.019 -0.932 54 HA GLN 7 HA GLN 7 -14.082 -0.820 0.917 55 1HB GLN 7 HB2 GLN 7 -14.487 -0.952 -1.991 56 2HB GLN 7 HB3 GLN 7 -12.808 -0.789 -1.499 57 1HG GLN 7 HG2 GLN 7 -13.285 -2.683 0.143 58 2HG GLN 7 HG3 GLN 7 -14.755 -2.956 -0.790 59 1HE2 GLN 7 HE22 GLN 7 -11.791 -5.008 -2.001 60 2HE2 GLN 7 HE21 GLN 7 -12.354 -4.650 -0.404 61 H GLU 8 HN GLU 8 -14.787 1.899 1.307 62 HA GLU 8 HA GLU 8 -12.579 3.522 0.348 63 1HB GLU 8 HB2 GLU 8 -14.645 4.123 2.487 64 2HB GLU 8 HB3 GLU 8 -13.516 5.279 1.791 65 1HG GLU 8 HG2 GLU 8 -14.584 4.773 -0.448 66 2HG GLU 8 HG3 GLU 8 -15.844 3.930 0.452 67 H GLU 9 HN GLU 9 -12.464 1.009 2.268 68 HA GLU 9 HA GLU 9 -10.830 2.199 4.415 69 1HB GLU 9 HB2 GLU 9 -12.331 -0.384 4.160 70 2HB GLU 9 HB3 GLU 9 -10.969 -0.280 5.266 71 1HG GLU 9 HG2 GLU 9 -13.141 1.774 5.370 72 2HG GLU 9 HG3 GLU 9 -13.369 0.198 6.123 73 H LEU 10 HN LEU 10 -10.812 -0.363 1.943 74 HA LEU 10 HA LEU 10 -8.209 -1.280 2.298 75 1HB LEU 10 HB2 LEU 10 -9.888 -2.343 0.833 76 2HB LEU 10 HB3 LEU 10 -9.714 -1.030 -0.315 77 HG LEU 10 HG LEU 10 -7.418 -1.704 -0.785 78 1HD1 LEU 10 HD12 LEU 10 -7.888 -3.654 1.439 79 2HD1 LEU 10 HD13 LEU 10 -6.665 -3.929 0.203 80 3HD1 LEU 10 HD11 LEU 10 -6.567 -2.505 1.231 81 1HD2 LEU 10 HD22 LEU 10 -9.328 -2.780 -1.978 82 2HD2 LEU 10 HD23 LEU 10 -7.854 -3.743 -1.941 83 3HD2 LEU 10 HD21 LEU 10 -9.191 -4.134 -0.861 84 H VAL 11 HN VAL 11 -9.319 1.718 0.944 85 HA VAL 11 HA VAL 11 -6.825 2.334 -0.399 86 HB VAL 11 HB VAL 11 -9.174 4.161 0.231 87 1HG1 VAL 11 HG13 VAL 11 -6.602 4.585 -1.199 88 2HG1 VAL 11 HG11 VAL 11 -8.056 5.316 -1.886 89 3HG1 VAL 11 HG12 VAL 11 -7.568 5.705 -0.235 90 1HG2 VAL 11 HG22 VAL 11 -8.794 2.099 -1.785 91 2HG2 VAL 11 HG23 VAL 11 -10.244 3.002 -1.355 92 3HG2 VAL 11 HG21 VAL 11 -9.097 3.677 -2.507 93 H LYS 12 HN LYS 12 -8.381 3.339 2.711 94 HA LYS 12 HA LYS 12 -6.307 5.231 3.307 95 1HB LYS 12 HB2 LYS 12 -7.196 5.291 5.571 96 2HB LYS 12 HB3 LYS 12 -8.441 5.508 4.363 97 1HG LYS 12 HG2 LYS 12 -9.480 4.173 5.891 98 2HG LYS 12 HG3 LYS 12 -8.896 3.008 4.723 99 1HD LYS 12 HD2 LYS 12 -7.980 1.934 6.462 100 2HD LYS 12 HD3 LYS 12 -6.784 3.231 6.466 101 1HE LYS 12 HE2 LYS 12 -7.437 3.439 8.622 102 2HE LYS 12 HE3 LYS 12 -8.712 4.419 7.903 103 1HZ LYS 12 HZ3 LYS 12 -8.955 1.515 8.513 104 2HZ LYS 12 HZ2 LYS 12 -9.540 2.764 9.515 105 3HZ LYS 12 HZ1 LYS 12 -10.195 2.540 7.960 106 H ALA 13 HN ALA 13 -6.965 1.942 4.181 107 HA ALA 13 HA ALA 13 -4.754 1.389 5.791 108 1HB ALA 13 HB1 ALA 13 -6.295 -0.435 3.942 109 2HB ALA 13 HB2 ALA 13 -5.096 -0.991 5.109 110 3HB ALA 13 HB3 ALA 13 -6.556 -0.181 5.667 111 H PHE 14 HN PHE 14 -5.080 0.894 2.250 112 HA PHE 14 HA PHE 14 -2.553 -0.094 1.708 113 1HB PHE 14 HB2 PHE 14 -4.533 0.176 0.098 114 2HB PHE 14 HB3 PHE 14 -3.977 1.814 -0.174 115 HD1 PHE 14 HD2 PHE 14 -3.135 -1.763 -0.520 116 HD2 PHE 14 HD1 PHE 14 -2.077 2.231 -1.567 117 HE1 PHE 14 HE2 PHE 14 -1.578 -2.617 -2.205 118 HE2 PHE 14 HE1 PHE 14 -0.516 1.368 -3.265 119 HZ PHE 14 HZ PHE 14 -0.269 -1.054 -3.572 120 H LYS 15 HN LYS 15 -3.495 3.338 1.254 121 HA LYS 15 HA LYS 15 -1.006 4.405 0.785 122 1HB LYS 15 HB2 LYS 15 -3.155 5.827 2.372 123 2HB LYS 15 HB3 LYS 15 -1.975 6.536 1.279 124 1HG LYS 15 HG2 LYS 15 -3.944 4.569 0.214 125 2HG LYS 15 HG3 LYS 15 -4.481 6.204 0.555 126 1HD LYS 15 HD2 LYS 15 -1.989 5.854 -1.013 127 2HD LYS 15 HD3 LYS 15 -3.506 5.407 -1.789 128 1HE LYS 15 HE2 LYS 15 -2.680 7.832 -2.099 129 2HE LYS 15 HE3 LYS 15 -4.369 7.560 -1.676 130 1HZ LYS 15 HZ1 LYS 15 -2.630 7.891 0.604 131 2HZ LYS 15 HZ3 LYS 15 -2.730 9.266 -0.382 132 3HZ LYS 15 HZ2 LYS 15 -4.142 8.586 0.289 133 H ALA 16 HN ALA 16 -2.547 3.854 3.935 134 HA ALA 16 HA ALA 16 -0.630 5.155 5.539 135 1HB ALA 16 HB3 ALA 16 -2.859 4.570 6.359 136 2HB ALA 16 HB1 ALA 16 -2.441 2.858 6.289 137 3HB ALA 16 HB2 ALA 16 -1.597 3.930 7.408 138 H LEU 17 HN LEU 17 -0.997 1.681 4.745 139 HA LEU 17 HA LEU 17 1.161 0.614 6.109 140 1HB LEU 17 HB2 LEU 17 -0.035 -0.138 3.440 141 2HB LEU 17 HB3 LEU 17 1.231 -1.088 4.181 142 HG LEU 17 HG LEU 17 -1.606 -0.743 5.034 143 1HD1 LEU 17 HD11 LEU 17 -1.059 -2.584 3.562 144 2HD1 LEU 17 HD12 LEU 17 0.176 -3.142 4.691 145 3HD1 LEU 17 HD13 LEU 17 -1.525 -3.181 5.154 146 1HD2 LEU 17 HD22 LEU 17 0.693 -1.470 6.810 147 2HD2 LEU 17 HD23 LEU 17 -0.597 -0.298 7.087 148 3HD2 LEU 17 HD21 LEU 17 -0.950 -2.025 7.121 149 H LEU 18 HN LEU 18 1.149 1.946 2.824 150 HA LEU 18 HA LEU 18 3.889 1.512 2.259 151 1HB LEU 18 HB2 LEU 18 2.113 3.683 1.146 152 2HB LEU 18 HB3 LEU 18 3.601 3.089 0.433 153 HG LEU 18 HG LEU 18 1.274 1.240 0.862 154 1HD1 LEU 18 HD11 LEU 18 1.294 3.547 -0.825 155 2HD1 LEU 18 HD12 LEU 18 1.270 2.084 -1.813 156 3HD1 LEU 18 HD13 LEU 18 0.033 2.344 -0.587 157 1HD2 LEU 18 HD23 LEU 18 3.490 0.301 0.295 158 2HD2 LEU 18 HD21 LEU 18 2.272 0.002 -0.945 159 3HD2 LEU 18 HD22 LEU 18 3.478 1.263 -1.189 160 H LYS 19 HN LYS 19 2.195 4.426 3.403 161 HA LYS 19 HA LYS 19 4.442 6.077 3.547 162 1HB LYS 19 HB2 LYS 19 1.763 6.205 4.908 163 2HB LYS 19 HB3 LYS 19 2.985 7.456 5.124 164 1HG LYS 19 HG2 LYS 19 3.029 7.798 2.686 165 2HG LYS 19 HG3 LYS 19 1.749 6.596 2.502 166 1HD LYS 19 HD2 LYS 19 0.342 8.346 2.661 167 2HD LYS 19 HD3 LYS 19 0.692 8.303 4.387 168 1HE LYS 19 HE2 LYS 19 2.096 10.123 4.289 169 2HE LYS 19 HE3 LYS 19 2.536 9.830 2.609 170 1HZ LYS 19 HZ3 LYS 19 -0.243 10.551 3.148 171 2HZ LYS 19 HZ2 LYS 19 0.921 11.783 3.313 172 3HZ LYS 19 HZ1 LYS 19 0.754 10.962 1.832 173 H GLU 20 HN GLU 20 3.521 3.548 5.712 174 HA GLU 20 HA GLU 20 4.907 4.523 8.032 175 1HB GLU 20 HB2 GLU 20 3.887 1.798 7.231 176 2HB GLU 20 HB3 GLU 20 4.799 2.044 8.713 177 1HG GLU 20 HG2 GLU 20 3.093 3.708 9.422 178 2HG GLU 20 HG3 GLU 20 2.155 3.295 7.994 179 H GLU 21 HN GLU 21 5.886 2.990 5.099 180 HA GLU 21 HA GLU 21 7.854 2.320 4.224 181 1HB GLU 21 HB2 GLU 21 9.045 3.950 6.483 182 2HB GLU 21 HB3 GLU 21 9.946 3.317 5.113 183 1HG GLU 21 HG2 GLU 21 8.552 4.639 3.591 184 2HG GLU 21 HG3 GLU 21 7.679 5.294 4.971 185 H LYS 22 HN LYS 22 7.101 0.194 4.936 186 HA LYS 22 HA LYS 22 9.091 -1.120 6.659 187 1HB LYS 22 HB2 LYS 22 7.332 -0.933 8.197 188 2HB LYS 22 HB3 LYS 22 6.093 -1.117 6.967 189 1HG LYS 22 HG2 LYS 22 6.280 -3.431 6.930 190 2HG LYS 22 HG3 LYS 22 7.888 -3.415 7.658 191 1HD LYS 22 HD2 LYS 22 6.994 -2.813 9.796 192 2HD LYS 22 HD3 LYS 22 5.392 -2.546 9.110 193 1HE LYS 22 HE2 LYS 22 5.715 -4.715 10.369 194 2HE LYS 22 HE3 LYS 22 5.048 -4.855 8.744 195 1HZ LYS 22 HZ2 LYS 22 7.922 -5.238 9.402 196 2HZ LYS 22 HZ1 LYS 22 6.798 -6.507 9.264 197 3HZ LYS 22 HZ3 LYS 22 7.165 -5.544 7.908 198 H PHE 23 HN PHE 23 6.488 -1.517 4.291 199 HA PHE 23 HA PHE 23 7.195 -4.218 3.642 200 1HB PHE 23 HB2 PHE 23 5.355 -2.348 2.143 201 2HB PHE 23 HB3 PHE 23 5.366 -4.116 2.088 202 HD1 PHE 23 HD2 PHE 23 4.958 -5.365 4.295 203 HD2 PHE 23 HD1 PHE 23 4.085 -1.231 3.784 204 HE1 PHE 23 HE2 PHE 23 3.508 -5.433 6.275 205 HE2 PHE 23 HE1 PHE 23 2.638 -1.295 5.771 206 HZ PHE 23 HZ PHE 23 2.336 -3.397 7.014 207 H SER 24 HN SER 24 8.594 -4.914 2.212 208 HA SER 24 HA SER 24 9.914 -2.988 0.446 209 1HB SER 24 HB2 SER 24 11.838 -4.363 0.543 210 2HB SER 24 HB3 SER 24 11.190 -4.353 2.178 211 HG SER 24 HG SER 24 10.098 -6.391 1.543 212 H SER 25 HN SER 25 7.444 -5.075 0.051 213 HA SER 25 HA SER 25 7.806 -5.163 -2.799 214 1HB SER 25 HB2 SER 25 7.451 -7.712 -2.882 215 2HB SER 25 HB3 SER 25 9.059 -7.146 -2.446 216 HG SER 25 HG SER 25 8.861 -8.129 -0.604 217 H GLN 26 HN GLN 26 5.902 -6.439 -3.819 218 HA GLN 26 HA GLN 26 3.446 -5.299 -2.919 219 1HB GLN 26 HB2 GLN 26 3.555 -7.631 -4.806 220 2HB GLN 26 HB3 GLN 26 2.498 -6.253 -4.814 221 1HG GLN 26 HG2 GLN 26 4.343 -4.815 -5.540 222 2HG GLN 26 HG3 GLN 26 5.415 -6.216 -5.551 223 1HE2 GLN 26 HE22 GLN 26 4.002 -5.465 -8.967 224 2HE2 GLN 26 HE21 GLN 26 4.706 -4.457 -7.752 225 H GLY 27 HN GLY 27 4.396 -8.719 -3.225 226 1HA GLY 27 HA1 GLY 27 2.368 -9.979 -1.884 227 2HA GLY 27 HA2 GLY 27 4.020 -10.553 -1.868 228 H GLU 28 HN GLU 28 4.941 -8.142 -0.370 229 HA GLU 28 HA GLU 28 4.652 -9.120 2.273 230 1HB GLU 28 HB2 GLU 28 6.464 -7.560 1.005 231 2HB GLU 28 HB3 GLU 28 5.550 -6.318 1.834 232 1HG GLU 28 HG2 GLU 28 6.059 -7.250 3.964 233 2HG GLU 28 HG3 GLU 28 6.713 -8.712 3.235 234 H ILE 29 HN ILE 29 3.341 -6.224 0.618 235 HA ILE 29 HA ILE 29 1.727 -5.508 2.899 236 HB ILE 29 HB ILE 29 1.964 -3.519 1.986 237 1HG1 ILE 29 HG12 ILE 29 0.075 -4.391 -0.202 238 2HG1 ILE 29 HG13 ILE 29 -0.410 -3.839 1.403 239 1HG2 ILE 29 HG21 ILE 29 2.572 -4.775 -0.675 240 2HG2 ILE 29 HG22 ILE 29 2.729 -3.065 -0.297 241 3HG2 ILE 29 HG23 ILE 29 3.739 -4.241 0.534 242 1HD1 ILE 29 HD12 ILE 29 1.169 -1.787 0.609 243 2HD1 ILE 29 HD13 ILE 29 0.474 -2.304 -0.928 244 3HD1 ILE 29 HD11 ILE 29 -0.579 -1.846 0.411 245 H VAL 30 HN VAL 30 1.328 -7.549 0.139 246 HA VAL 30 HA VAL 30 -1.498 -7.650 -0.056 247 HB VAL 30 HB VAL 30 0.543 -9.833 -0.572 248 1HG1 VAL 30 HG13 VAL 30 -2.402 -9.740 -1.145 249 2HG1 VAL 30 HG11 VAL 30 -1.295 -10.821 -1.986 250 3HG1 VAL 30 HG12 VAL 30 -1.505 -10.961 -0.242 251 1HG2 VAL 30 HG22 VAL 30 0.395 -7.602 -1.977 252 2HG2 VAL 30 HG23 VAL 30 0.678 -9.153 -2.752 253 3HG2 VAL 30 HG21 VAL 30 -0.935 -8.454 -2.744 254 H ALA 31 HN ALA 31 0.812 -9.625 1.788 255 HA ALA 31 HA ALA 31 -1.117 -11.145 3.209 256 1HB ALA 31 HB1 ALA 31 1.791 -10.594 3.799 257 2HB ALA 31 HB2 ALA 31 0.800 -11.765 4.669 258 3HB ALA 31 HB3 ALA 31 1.119 -11.986 2.949 259 H ALA 32 HN ALA 32 0.669 -8.177 4.000 260 HA ALA 32 HA ALA 32 0.014 -7.868 6.669 261 1HB ALA 32 HB2 ALA 32 1.607 -6.462 5.397 262 2HB ALA 32 HB3 ALA 32 0.238 -5.621 4.669 263 3HB ALA 32 HB1 ALA 32 0.504 -5.530 6.412 264 H LEU 33 HN LEU 33 -1.857 -6.614 3.871 265 HA LEU 33 HA LEU 33 -3.902 -5.476 5.449 266 1HB LEU 33 HB2 LEU 33 -4.063 -6.364 2.570 267 2HB LEU 33 HB3 LEU 33 -5.230 -5.329 3.387 268 HG LEU 33 HG LEU 33 -2.350 -4.497 3.262 269 1HD1 LEU 33 HD13 LEU 33 -2.927 -5.043 0.959 270 2HD1 LEU 33 HD11 LEU 33 -4.380 -4.047 1.081 271 3HD1 LEU 33 HD12 LEU 33 -2.786 -3.301 1.189 272 1HD2 LEU 33 HD21 LEU 33 -4.964 -2.997 3.365 273 2HD2 LEU 33 HD22 LEU 33 -3.845 -3.246 4.706 274 3HD2 LEU 33 HD23 LEU 33 -3.364 -2.260 3.326 275 H GLN 34 HN GLN 34 -3.400 -8.795 4.445 276 HA GLN 34 HA GLN 34 -6.108 -9.650 4.830 277 1HB GLN 34 HB2 GLN 34 -3.612 -11.342 5.117 278 2HB GLN 34 HB3 GLN 34 -5.250 -11.915 4.855 279 1HG GLN 34 HG2 GLN 34 -4.859 -10.258 2.699 280 2HG GLN 34 HG3 GLN 34 -3.256 -10.932 2.952 281 1HE2 GLN 34 HE22 GLN 34 -4.930 -13.057 0.570 282 2HE2 GLN 34 HE21 GLN 34 -4.335 -11.448 0.672 283 H GLU 35 HN GLU 35 -3.345 -9.150 6.913 284 HA GLU 35 HA GLU 35 -4.520 -10.364 9.258 285 1HB GLU 35 HB2 GLU 35 -2.197 -8.428 9.153 286 2HB GLU 35 HB3 GLU 35 -2.578 -9.583 10.424 287 1HG GLU 35 HG2 GLU 35 -2.314 -11.063 8.031 288 2HG GLU 35 HG3 GLU 35 -0.970 -9.927 8.080 289 H GLN 36 HN GLN 36 -4.361 -7.170 7.818 290 HA GLN 36 HA GLN 36 -5.219 -5.629 10.034 291 1HB GLN 36 HB2 GLN 36 -5.377 -5.155 7.056 292 2HB GLN 36 HB3 GLN 36 -5.916 -3.972 8.232 293 1HG GLN 36 HG2 GLN 36 -3.380 -4.609 9.108 294 2HG GLN 36 HG3 GLN 36 -3.219 -4.659 7.357 295 1HE2 GLN 36 HE22 GLN 36 -2.979 -1.179 9.103 296 2HE2 GLN 36 HE21 GLN 36 -2.622 -2.730 9.787 297 H GLY 37 HN GLY 37 -7.031 -7.041 7.302 298 1HA GLY 37 HA1 GLY 37 -9.227 -8.009 8.397 299 2HA GLY 37 HA2 GLY 37 -9.566 -6.295 8.582 300 H PHE 38 HN PHE 38 -7.921 -7.779 5.819 301 HA PHE 38 HA PHE 38 -10.291 -7.205 4.148 302 1HB PHE 38 HB2 PHE 38 -7.427 -6.672 3.332 303 2HB PHE 38 HB3 PHE 38 -8.873 -6.346 2.382 304 HD1 PHE 38 HD2 PHE 38 -10.308 -4.439 2.934 305 HD2 PHE 38 HD1 PHE 38 -6.782 -5.270 5.155 306 HE1 PHE 38 HE2 PHE 38 -10.393 -2.185 3.921 307 HE2 PHE 38 HE1 PHE 38 -6.855 -3.033 6.141 308 HZ PHE 38 HZ PHE 38 -8.644 -1.491 5.528 309 H ASP 39 HN ASP 39 -10.987 -9.156 3.615 310 HA ASP 39 HA ASP 39 -9.097 -11.288 2.905 311 1HB ASP 39 HB2 ASP 39 -12.060 -11.267 3.510 312 2HB ASP 39 HB3 ASP 39 -11.265 -12.676 2.819 313 H ASN 40 HN ASN 40 -9.955 -8.861 1.256 314 HA ASN 40 HA ASN 40 -10.496 -10.299 -1.243 315 1HB ASN 40 HB2 ASN 40 -12.443 -8.883 -0.441 316 2HB ASN 40 HB3 ASN 40 -11.411 -7.474 -0.645 317 1HD2 ASN 40 HD22 ASN 40 -12.621 -9.519 -3.982 318 2HD2 ASN 40 HD21 ASN 40 -12.336 -10.359 -2.495 319 H ILE 41 HN ILE 41 -7.993 -10.224 -0.665 320 HA ILE 41 HA ILE 41 -6.836 -8.083 -2.303 321 HB ILE 41 HB ILE 41 -6.382 -8.507 0.593 322 1HG1 ILE 41 HG12 ILE 41 -7.262 -6.440 -0.755 323 2HG1 ILE 41 HG13 ILE 41 -6.222 -6.199 0.641 324 1HG2 ILE 41 HG23 ILE 41 -4.037 -8.099 -1.252 325 2HG2 ILE 41 HG21 ILE 41 -4.023 -7.658 0.455 326 3HG2 ILE 41 HG22 ILE 41 -4.251 -9.342 -0.013 327 1HD1 ILE 41 HD13 ILE 41 -4.916 -6.447 -2.000 328 2HD1 ILE 41 HD11 ILE 41 -5.815 -4.971 -1.663 329 3HD1 ILE 41 HD12 ILE 41 -4.489 -5.457 -0.608 330 H ASN 42 HN ASN 42 -5.119 -8.685 -3.499 331 HA ASN 42 HA ASN 42 -3.686 -11.151 -3.013 332 1HB ASN 42 HB2 ASN 42 -4.089 -12.047 -5.327 333 2HB ASN 42 HB3 ASN 42 -5.490 -12.109 -4.271 334 1HD2 ASN 42 HD22 ASN 42 -7.394 -10.750 -6.820 335 2HD2 ASN 42 HD21 ASN 42 -7.135 -12.022 -5.674 336 H GLN 43 HN GLN 43 -2.067 -11.452 -5.010 337 HA GLN 43 HA GLN 43 -0.300 -9.299 -4.940 338 1HB GLN 43 HB2 GLN 43 0.113 -11.775 -5.589 339 2HB GLN 43 HB3 GLN 43 -0.298 -11.270 -7.224 340 1HG GLN 43 HG2 GLN 43 1.514 -9.544 -7.051 341 2HG GLN 43 HG3 GLN 43 1.978 -10.271 -5.514 342 1HE2 GLN 43 HE22 GLN 43 3.428 -13.145 -6.971 343 2HE2 GLN 43 HE21 GLN 43 2.680 -12.504 -5.544 344 H SER 44 HN SER 44 -2.753 -10.075 -7.371 345 HA SER 44 HA SER 44 -1.995 -8.069 -9.234 346 1HB SER 44 HB2 SER 44 -3.789 -10.178 -9.235 347 2HB SER 44 HB3 SER 44 -4.838 -8.767 -9.313 348 HG SER 44 HG SER 44 -2.746 -9.518 -11.078 349 H LYS 45 HN LYS 45 -4.318 -8.105 -6.561 350 HA LYS 45 HA LYS 45 -5.478 -5.563 -6.990 351 1HB LYS 45 HB2 LYS 45 -5.985 -7.600 -5.278 352 2HB LYS 45 HB3 LYS 45 -5.154 -6.510 -4.184 353 1HG LYS 45 HG2 LYS 45 -7.295 -5.829 -3.857 354 2HG LYS 45 HG3 LYS 45 -6.849 -4.750 -5.182 355 1HD LYS 45 HD2 LYS 45 -7.787 -6.555 -6.739 356 2HD LYS 45 HD3 LYS 45 -8.477 -7.287 -5.287 357 1HE LYS 45 HE2 LYS 45 -9.804 -5.355 -4.842 358 2HE LYS 45 HE3 LYS 45 -8.995 -4.429 -6.106 359 1HZ LYS 45 HZ2 LYS 45 -9.993 -6.680 -7.361 360 2HZ LYS 45 HZ1 LYS 45 -11.236 -6.174 -6.309 361 3HZ LYS 45 HZ3 LYS 45 -10.604 -5.093 -7.460 362 H VAL 46 HN VAL 46 -2.648 -6.582 -5.166 363 HA VAL 46 HA VAL 46 -2.067 -4.013 -4.042 364 HB VAL 46 HB VAL 46 -0.587 -6.626 -4.117 365 1HG1 VAL 46 HG12 VAL 46 0.347 -4.065 -2.827 366 2HG1 VAL 46 HG13 VAL 46 1.047 -5.658 -2.565 367 3HG1 VAL 46 HG11 VAL 46 1.142 -4.921 -4.155 368 1HG2 VAL 46 HG23 VAL 46 -2.253 -5.094 -2.184 369 2HG2 VAL 46 HG21 VAL 46 -2.219 -6.820 -2.521 370 3HG2 VAL 46 HG22 VAL 46 -0.950 -6.087 -1.546 371 H SER 47 HN SER 47 -0.812 -5.844 -6.839 372 HA SER 47 HA SER 47 1.192 -3.910 -7.497 373 1HB SER 47 HB2 SER 47 1.187 -5.062 -9.749 374 2HB SER 47 HB3 SER 47 1.485 -6.115 -8.369 375 HG SER 47 HG SER 47 -0.489 -6.995 -8.565 376 H ARG 48 HN ARG 48 -2.202 -4.342 -8.335 377 HA ARG 48 HA ARG 48 -2.309 -2.332 -10.366 378 1HB ARG 48 HB2 ARG 48 -4.403 -3.760 -8.732 379 2HB ARG 48 HB3 ARG 48 -4.845 -2.416 -9.778 380 1HG ARG 48 HG2 ARG 48 -4.173 -3.566 -11.724 381 2HG ARG 48 HG3 ARG 48 -3.325 -4.801 -10.795 382 1HD ARG 48 HD2 ARG 48 -5.423 -5.667 -11.659 383 2HD ARG 48 HD3 ARG 48 -5.458 -5.598 -9.897 384 HE ARG 48 HE ARG 48 -6.577 -3.220 -10.799 385 1HH1 ARG 48 HH12 ARG 48 -7.281 -6.647 -11.038 386 2HH1 ARG 48 HH11 ARG 48 -9.001 -6.404 -11.158 387 1HH2 ARG 48 HH22 ARG 48 -8.827 -2.910 -10.970 388 2HH2 ARG 48 HH21 ARG 48 -9.878 -4.291 -11.125 389 H MET 49 HN MET 49 -3.016 -2.340 -6.874 390 HA MET 49 HA MET 49 -3.844 0.366 -6.744 391 1HB MET 49 HB2 MET 49 -2.982 -1.653 -4.706 392 2HB MET 49 HB3 MET 49 -3.155 0.032 -4.233 393 1HG MET 49 HG2 MET 49 -5.481 -0.047 -5.188 394 2HG MET 49 HG3 MET 49 -5.277 -1.789 -5.327 395 1HE MET 49 HE3 MET 49 -7.046 0.531 -3.788 396 2HE MET 49 HE1 MET 49 -7.845 -0.943 -3.242 397 3HE MET 49 HE2 MET 49 -7.196 0.197 -2.065 398 H LEU 50 HN LEU 50 -0.640 -1.143 -6.513 399 HA LEU 50 HA LEU 50 0.785 1.130 -5.596 400 1HB LEU 50 HB2 LEU 50 1.541 -1.367 -7.062 401 2HB LEU 50 HB3 LEU 50 2.706 -0.060 -7.001 402 HG LEU 50 HG LEU 50 1.460 -1.029 -4.470 403 1HD1 LEU 50 HD13 LEU 50 3.760 -2.341 -5.894 404 2HD1 LEU 50 HD11 LEU 50 3.318 -2.632 -4.212 405 3HD1 LEU 50 HD12 LEU 50 2.205 -3.074 -5.504 406 1HD2 LEU 50 HD23 LEU 50 4.002 0.336 -5.229 407 2HD2 LEU 50 HD21 LEU 50 2.731 0.873 -4.129 408 3HD2 LEU 50 HD22 LEU 50 3.794 -0.452 -3.664 409 H THR 51 HN THR 51 0.106 -0.055 -8.878 410 HA THR 51 HA THR 51 1.389 2.113 -10.219 411 HB THR 51 HB THR 51 -0.781 0.380 -11.416 412 HG1 THR 51 HG1 THR 51 0.494 -1.153 -10.541 413 1HG2 THR 51 HG21 THR 51 0.568 2.294 -12.650 414 2HG2 THR 51 HG23 THR 51 1.764 1.008 -12.803 415 3HG2 THR 51 HG22 THR 51 0.137 0.782 -13.449 416 H LYS 52 HN LYS 52 -1.971 1.441 -9.290 417 HA LYS 52 HA LYS 52 -3.216 3.623 -10.572 418 1HB LYS 52 HB2 LYS 52 -4.434 1.676 -9.699 419 2HB LYS 52 HB3 LYS 52 -4.040 2.160 -8.048 420 1HG LYS 52 HG2 LYS 52 -5.384 4.258 -9.591 421 2HG LYS 52 HG3 LYS 52 -6.342 2.792 -9.397 422 1HD LYS 52 HD2 LYS 52 -5.867 2.930 -6.912 423 2HD LYS 52 HD3 LYS 52 -5.148 4.512 -7.216 424 1HE LYS 52 HE2 LYS 52 -7.996 3.698 -7.793 425 2HE LYS 52 HE3 LYS 52 -7.458 4.724 -6.465 426 1HZ LYS 52 HZ1 LYS 52 -6.568 6.268 -8.214 427 2HZ LYS 52 HZ3 LYS 52 -7.400 5.336 -9.373 428 3HZ LYS 52 HZ2 LYS 52 -8.266 6.141 -8.147 429 H PHE 53 HN PHE 53 -2.266 3.286 -7.140 430 HA PHE 53 HA PHE 53 -2.805 6.012 -6.501 431 1HB PHE 53 HB2 PHE 53 -1.291 3.840 -5.031 432 2HB PHE 53 HB3 PHE 53 -1.556 5.442 -4.365 433 HD1 PHE 53 HD2 PHE 53 -4.282 6.086 -4.945 434 HD2 PHE 53 HD1 PHE 53 -2.601 2.315 -3.940 435 HE1 PHE 53 HE2 PHE 53 -6.456 5.356 -4.058 436 HE2 PHE 53 HE1 PHE 53 -4.760 1.579 -3.046 437 HZ PHE 53 HZ PHE 53 -6.697 3.096 -3.105 438 H GLY 54 HN GLY 54 0.082 4.295 -7.548 439 1HA GLY 54 HA1 GLY 54 1.949 5.226 -8.582 440 2HA GLY 54 HA2 GLY 54 1.385 6.826 -8.129 441 H ALA 55 HN ALA 55 2.366 3.874 -6.364 442 HA ALA 55 HA ALA 55 3.704 5.454 -4.330 443 1HB ALA 55 HB3 ALA 55 2.440 3.146 -4.090 444 2HB ALA 55 HB1 ALA 55 4.041 2.502 -4.453 445 3HB ALA 55 HB2 ALA 55 3.812 3.559 -3.065 446 H VAL 56 HN VAL 56 5.981 4.976 -3.722 447 HA VAL 56 HA VAL 56 7.698 4.337 -6.045 448 HB VAL 56 HB VAL 56 9.261 6.140 -5.288 449 1HG1 VAL 56 HG13 VAL 56 7.184 6.350 -6.969 450 2HG1 VAL 56 HG11 VAL 56 6.735 7.592 -5.799 451 3HG1 VAL 56 HG12 VAL 56 8.287 7.681 -6.629 452 1HG2 VAL 56 HG21 VAL 56 7.508 6.265 -3.050 453 2HG2 VAL 56 HG22 VAL 56 8.976 7.187 -3.351 454 3HG2 VAL 56 HG23 VAL 56 7.422 7.806 -3.896 455 H ARG 57 HN ARG 57 9.682 3.368 -5.600 456 HA ARG 57 HA ARG 57 9.919 2.092 -2.955 457 1HB ARG 57 HB2 ARG 57 11.327 1.522 -5.581 458 2HB ARG 57 HB3 ARG 57 11.642 0.679 -4.072 459 1HG ARG 57 HG2 ARG 57 9.367 -0.157 -4.027 460 2HG ARG 57 HG3 ARG 57 9.014 0.707 -5.525 461 1HD ARG 57 HD2 ARG 57 9.679 -1.852 -5.527 462 2HD ARG 57 HD3 ARG 57 10.175 -0.767 -6.820 463 HE ARG 57 HE ARG 57 12.363 -0.596 -5.727 464 1HH1 ARG 57 HH12 ARG 57 10.353 -3.364 -4.880 465 2HH1 ARG 57 HH11 ARG 57 11.706 -4.341 -4.385 466 1HH2 ARG 57 HH22 ARG 57 14.118 -1.893 -5.089 467 2HH2 ARG 57 HH21 ARG 57 13.837 -3.507 -4.499 468 H THR 58 HN THR 58 11.179 3.126 -1.501 469 HA THR 58 HA THR 58 13.626 4.481 -2.467 470 HB THR 58 HB THR 58 13.170 6.387 -0.956 471 HG1 THR 58 HG1 THR 58 11.145 4.770 -0.136 472 1HG2 THR 58 HG23 THR 58 12.416 6.466 -3.337 473 2HG2 THR 58 HG22 THR 58 10.807 6.013 -2.771 474 3HG2 THR 58 HG21 THR 58 11.540 7.523 -2.228 475 H ARG 59 HN ARG 59 15.197 4.960 -0.811 476 HA ARG 59 HA ARG 59 15.536 2.797 1.054 477 1HB ARG 59 HB2 ARG 59 17.676 3.265 0.711 478 2HB ARG 59 HB3 ARG 59 17.217 4.613 -0.303 479 1HG ARG 59 HG2 ARG 59 17.424 6.161 1.466 480 2HG ARG 59 HG3 ARG 59 17.514 4.881 2.677 481 1HD ARG 59 HD2 ARG 59 19.720 5.823 2.269 482 2HD ARG 59 HD3 ARG 59 19.646 4.136 1.773 483 HE ARG 59 HE ARG 59 20.034 4.757 -0.397 484 1HH1 ARG 59 HH12 ARG 59 19.177 7.621 1.441 485 2HH1 ARG 59 HH11 ARG 59 19.578 8.714 0.143 486 1HH2 ARG 59 HH22 ARG 59 20.557 6.182 -2.066 487 2HH2 ARG 59 HH21 ARG 59 20.358 7.894 -1.848 488 H ASN 60 HN ASN 60 14.931 2.769 3.133 489 HA ASN 60 HA ASN 60 13.700 5.144 4.286 490 1HB ASN 60 HB2 ASN 60 12.869 3.677 6.047 491 2HB ASN 60 HB3 ASN 60 12.503 3.019 4.462 492 1HD2 ASN 60 HD22 ASN 60 13.498 0.054 6.114 493 2HD2 ASN 60 HD21 ASN 60 12.150 1.078 5.772 494 H ALA 61 HN ALA 61 14.141 4.650 7.018 495 HA ALA 61 HA ALA 61 16.366 6.191 7.546 496 1HB ALA 61 HB3 ALA 61 14.514 5.810 9.121 497 2HB ALA 61 HB1 ALA 61 15.141 4.191 9.447 498 3HB ALA 61 HB2 ALA 61 16.099 5.613 9.873 499 H LYS 62 HN LYS 62 16.217 2.636 7.417 500 HA LYS 62 HA LYS 62 19.088 2.506 8.036 501 1HB LYS 62 HB2 LYS 62 16.995 0.330 7.995 502 2HB LYS 62 HB3 LYS 62 18.714 0.057 8.248 503 1HG LYS 62 HG2 LYS 62 18.027 0.124 10.411 504 2HG LYS 62 HG3 LYS 62 18.377 1.835 10.169 505 1HD LYS 62 HD2 LYS 62 16.264 2.372 10.637 506 2HD LYS 62 HD3 LYS 62 15.670 1.302 9.368 507 1HE LYS 62 HE2 LYS 62 14.704 0.685 11.505 508 2HE LYS 62 HE3 LYS 62 15.769 -0.595 10.929 509 1HZ LYS 62 HZ2 LYS 62 16.902 1.437 12.718 510 2HZ LYS 62 HZ1 LYS 62 15.863 0.268 13.392 511 3HZ LYS 62 HZ3 LYS 62 17.275 -0.224 12.578 512 H MET 63 HN MET 63 17.964 3.308 5.380 513 HA MET 63 HA MET 63 18.606 3.117 3.223 514 1HB MET 63 HB2 MET 63 20.549 0.932 3.889 515 2HB MET 63 HB3 MET 63 20.697 2.225 2.716 516 1HG MET 63 HG2 MET 63 20.698 3.761 4.830 517 2HG MET 63 HG3 MET 63 21.177 2.270 5.637 518 1HE MET 63 HE2 MET 63 22.970 0.679 3.918 519 2HE MET 63 HE3 MET 63 24.578 1.390 4.061 520 3HE MET 63 HE1 MET 63 23.570 1.201 5.496 521 H GLU 64 HN GLU 64 16.710 0.960 4.530 522 HA GLU 64 HA GLU 64 16.932 -1.226 2.648 523 1HB GLU 64 HB2 GLU 64 14.681 -0.623 4.575 524 2HB GLU 64 HB3 GLU 64 14.955 -2.132 3.719 525 1HG GLU 64 HG2 GLU 64 17.273 -2.020 4.974 526 2HG GLU 64 HG3 GLU 64 16.365 -0.998 6.083 527 H MET 65 HN MET 65 16.037 -1.294 0.689 528 HA MET 65 HA MET 65 14.545 0.924 -0.344 529 1HB MET 65 HB2 MET 65 15.209 -1.770 -1.566 530 2HB MET 65 HB3 MET 65 14.483 -0.429 -2.439 531 1HG MET 65 HG2 MET 65 17.226 -0.520 -1.210 532 2HG MET 65 HG3 MET 65 16.825 -0.517 -2.924 533 1HE MET 65 HE2 MET 65 15.692 1.360 -4.146 534 2HE MET 65 HE3 MET 65 14.482 1.928 -3.002 535 3HE MET 65 HE1 MET 65 15.677 3.050 -3.653 536 H VAL 66 HN VAL 66 12.591 1.066 0.762 537 HA VAL 66 HA VAL 66 10.714 -1.178 0.376 538 HB VAL 66 HB VAL 66 9.484 -0.332 2.379 539 1HG1 VAL 66 HG13 VAL 66 11.292 -2.176 2.333 540 2HG1 VAL 66 HG11 VAL 66 12.300 -0.993 3.170 541 3HG1 VAL 66 HG12 VAL 66 10.782 -1.526 3.896 542 1HG2 VAL 66 HG21 VAL 66 11.924 1.424 2.699 543 2HG2 VAL 66 HG22 VAL 66 10.258 1.954 2.464 544 3HG2 VAL 66 HG23 VAL 66 10.720 1.130 3.953 545 H TYR 67 HN TYR 67 8.445 -0.563 0.286 546 HA TYR 67 HA TYR 67 7.978 1.473 -1.681 547 1HB TYR 67 HB2 TYR 67 6.354 -0.647 -0.325 548 2HB TYR 67 HB3 TYR 67 5.494 0.691 -1.066 549 HD1 TYR 67 HD2 TYR 67 6.858 1.230 -3.526 550 HD2 TYR 67 HD1 TYR 67 6.080 -2.521 -1.664 551 HE1 TYR 67 HE2 TYR 67 6.940 0.129 -5.718 552 HE2 TYR 67 HE1 TYR 67 6.145 -3.627 -3.861 553 HH TYR 67 HH TYR 67 5.993 -1.961 -6.765 554 H CYS 68 HN CYS 68 7.240 3.478 -1.373 555 HA CYS 68 HA CYS 68 5.885 4.200 1.123 556 1HB CYS 68 HB2 CYS 68 7.205 6.164 1.496 557 2HB CYS 68 HB3 CYS 68 8.326 4.832 1.315 558 HG CYS 68 HG CYS 68 9.408 6.454 -0.205 559 H LEU 69 HN LEU 69 5.087 6.588 0.863 560 HA LEU 69 HA LEU 69 3.892 6.780 -1.830 561 1HB LEU 69 HB2 LEU 69 2.525 6.393 0.431 562 2HB LEU 69 HB3 LEU 69 2.630 8.142 0.497 563 HG LEU 69 HG LEU 69 1.606 8.225 -1.790 564 1HD1 LEU 69 HD11 LEU 69 2.111 5.430 -1.688 565 2HD1 LEU 69 HD12 LEU 69 0.366 5.661 -1.763 566 3HD1 LEU 69 HD13 LEU 69 1.399 6.372 -2.998 567 1HD2 LEU 69 HD21 LEU 69 0.286 8.524 0.277 568 2HD2 LEU 69 HD22 LEU 69 -0.642 7.794 -1.031 569 3HD2 LEU 69 HD23 LEU 69 -0.040 6.790 0.290 570 HA PRO 70 HA PRO 70 5.977 10.760 -2.129 571 1HB PRO 70 HB2 PRO 70 5.046 11.447 -4.559 572 2HB PRO 70 HB3 PRO 70 6.222 10.151 -4.355 573 1HG PRO 70 HG2 PRO 70 3.249 9.960 -4.707 574 2HG PRO 70 HG3 PRO 70 4.534 9.044 -5.522 575 1HD PRO 70 HD2 PRO 70 3.139 8.077 -3.403 576 2HD PRO 70 HD3 PRO 70 4.818 7.614 -3.744 577 H ALA 71 HN ALA 71 4.630 12.861 -3.502 578 HA ALA 71 HA ALA 71 3.111 14.084 -1.495 579 1HB ALA 71 HB3 ALA 71 3.166 14.646 -4.460 580 2HB ALA 71 HB1 ALA 71 2.414 15.695 -3.259 581 3HB ALA 71 HB2 ALA 71 4.151 15.407 -3.215 582 H GLU 72 HN GLU 72 0.823 14.680 -1.508 583 HA GLU 72 HA GLU 72 -0.929 12.638 -1.413 584 1HB GLU 72 HB2 GLU 72 -1.793 15.417 -2.218 585 2HB GLU 72 HB3 GLU 72 -2.677 14.240 -1.265 586 1HG GLU 72 HG2 GLU 72 -0.291 15.866 -0.444 587 2HG GLU 72 HG3 GLU 72 -1.908 15.861 0.256 588 H LEU 73 HN LEU 73 -1.325 11.180 -2.921 589 HA LEU 73 HA LEU 73 -2.534 11.992 -5.457 590 1HB LEU 73 HB2 LEU 73 0.101 11.415 -5.467 591 2HB LEU 73 HB3 LEU 73 -0.526 9.788 -5.610 592 HG LEU 73 HG LEU 73 -1.061 12.084 -7.504 593 1HD1 LEU 73 HD12 LEU 73 1.143 10.421 -7.324 594 2HD1 LEU 73 HD13 LEU 73 0.155 9.689 -8.585 595 3HD1 LEU 73 HD11 LEU 73 0.657 11.372 -8.721 596 1HD2 LEU 73 HD21 LEU 73 -2.141 9.279 -7.401 597 2HD2 LEU 73 HD22 LEU 73 -3.021 10.800 -7.563 598 3HD2 LEU 73 HD23 LEU 73 -2.055 10.196 -8.904 599 H GLY 74 HN GLY 74 -4.415 10.956 -5.527 600 1HA GLY 74 HA1 GLY 74 -5.589 8.861 -5.837 601 2HA GLY 74 HA2 GLY 74 -4.544 8.136 -4.630 602 H VAL 75 HN VAL 75 -6.673 10.985 -4.804 603 HA VAL 75 HA VAL 75 -7.497 10.752 -2.074 604 HB VAL 75 HB VAL 75 -7.370 12.929 -3.205 605 1HG1 VAL 75 HG21 VAL 75 -8.341 11.880 -5.413 606 2HG1 VAL 75 HG22 VAL 75 -9.877 12.419 -4.734 607 3HG1 VAL 75 HG23 VAL 75 -8.587 13.579 -5.029 608 1HG2 VAL 75 HG13 VAL 75 -10.152 12.217 -2.283 609 2HG2 VAL 75 HG11 VAL 75 -8.817 12.814 -1.293 610 3HG2 VAL 75 HG12 VAL 75 -9.550 13.859 -2.510 611 HA PRO 76 HA PRO 76 -10.712 7.686 -2.679 612 1HB PRO 76 HB2 PRO 76 -12.218 8.236 -0.454 613 2HB PRO 76 HB3 PRO 76 -10.722 7.301 -0.428 614 1HG PRO 76 HG2 PRO 76 -11.161 10.192 0.228 615 2HG PRO 76 HG3 PRO 76 -10.168 8.987 1.074 616 1HD PRO 76 HD2 PRO 76 -9.086 10.812 -0.579 617 2HD PRO 76 HD3 PRO 76 -8.425 9.169 -0.440 618 H THR 77 HN THR 77 -12.270 7.913 -4.171 619 HA THR 77 HA THR 77 -14.523 9.647 -3.802 620 HB THR 77 HB THR 77 -12.753 11.256 -4.606 621 HG1 THR 77 HG1 THR 77 -14.498 12.199 -5.216 622 1HG2 THR 77 HG22 THR 77 -11.669 9.610 -6.245 623 2HG2 THR 77 HG21 THR 77 -12.974 10.062 -7.344 624 3HG2 THR 77 HG23 THR 77 -11.862 11.289 -6.744 625 H THR 78 HN THR 78 -12.683 7.550 -6.015 626 HA THR 78 HA THR 78 -15.208 6.369 -6.922 627 HB THR 78 HB THR 78 -13.001 7.238 -8.817 628 HG1 THR 78 HG1 THR 78 -14.532 8.873 -7.894 629 1HG2 THR 78 HG22 THR 78 -15.647 5.917 -9.362 630 2HG2 THR 78 HG21 THR 78 -14.639 6.683 -10.591 631 3HG2 THR 78 HG23 THR 78 -14.039 5.281 -9.706 No H/Q in entry = 631 Start of MODEL 2 1 1H MET 1 HT3 MET 1 -20.900 11.207 3.782 2 2H MET 1 HT2 MET 1 -19.789 12.033 4.806 3 3H MET 1 HT1 MET 1 -19.238 11.308 3.349 4 HA MET 1 HA MET 1 -19.646 9.165 4.162 5 1HB MET 1 HB2 MET 1 -18.167 11.059 5.991 6 2HB MET 1 HB3 MET 1 -18.190 9.334 6.314 7 1HG MET 1 HG2 MET 1 -17.051 8.838 4.306 8 2HG MET 1 HG3 MET 1 -17.284 10.469 3.691 9 1HE MET 1 HE1 MET 1 -15.220 10.989 2.997 10 2HE MET 1 HE2 MET 1 -13.833 11.450 3.982 11 3HE MET 1 HE3 MET 1 -14.050 9.768 3.503 12 H ARG 2 HN ARG 2 -21.534 8.267 4.791 13 HA ARG 2 HA ARG 2 -22.879 9.217 7.243 14 1HB ARG 2 HB2 ARG 2 -23.842 7.432 4.996 15 2HB ARG 2 HB3 ARG 2 -24.783 7.823 6.427 16 1HG ARG 2 HG2 ARG 2 -23.807 10.226 5.164 17 2HG ARG 2 HG3 ARG 2 -24.703 9.229 4.019 18 1HD ARG 2 HD2 ARG 2 -26.206 10.780 5.118 19 2HD ARG 2 HD3 ARG 2 -26.590 9.124 5.583 20 HE ARG 2 HE ARG 2 -26.011 9.600 7.755 21 1HH1 ARG 2 HH12 ARG 2 -24.903 12.205 5.683 22 2HH1 ARG 2 HH11 ARG 2 -24.489 13.255 7.008 23 1HH2 ARG 2 HH22 ARG 2 -25.457 10.970 9.496 24 2HH2 ARG 2 HH21 ARG 2 -24.800 12.553 9.176 25 H SER 3 HN SER 3 -20.555 7.795 7.680 26 HA SER 3 HA SER 3 -19.726 6.220 9.077 27 1HB SER 3 HB2 SER 3 -22.539 5.169 9.483 28 2HB SER 3 HB3 SER 3 -21.143 4.936 10.526 29 HG SER 3 HG SER 3 -21.294 7.489 10.374 30 H SER 4 HN SER 4 -22.372 4.642 7.246 31 HA SER 4 HA SER 4 -20.916 2.205 6.910 32 1HB SER 4 HB2 SER 4 -23.295 3.019 5.237 33 2HB SER 4 HB3 SER 4 -22.792 1.401 5.724 34 HG SER 4 HG SER 4 -23.559 1.736 7.746 35 H ALA 5 HN ALA 5 -19.103 2.239 5.747 36 HA ALA 5 HA ALA 5 -19.135 3.489 3.060 37 1HB ALA 5 HB1 ALA 5 -17.474 4.230 5.069 38 2HB ALA 5 HB2 ALA 5 -16.502 2.973 4.307 39 3HB ALA 5 HB3 ALA 5 -17.069 4.349 3.361 40 H LYS 6 HN LYS 6 -19.374 1.927 1.569 41 HA LYS 6 HA LYS 6 -18.845 -0.828 2.075 42 1HB LYS 6 HB2 LYS 6 -19.527 0.673 -0.456 43 2HB LYS 6 HB3 LYS 6 -19.333 -1.073 -0.404 44 1HG LYS 6 HG2 LYS 6 -21.100 -0.530 1.671 45 2HG LYS 6 HG3 LYS 6 -21.585 0.578 0.391 46 1HD LYS 6 HD2 LYS 6 -22.839 -1.371 0.012 47 2HD LYS 6 HD3 LYS 6 -21.535 -1.436 -1.171 48 1HE LYS 6 HE2 LYS 6 -21.936 -3.617 -0.103 49 2HE LYS 6 HE3 LYS 6 -20.312 -3.011 0.211 50 1HZ LYS 6 HZ2 LYS 6 -22.347 -2.343 2.192 51 2HZ LYS 6 HZ1 LYS 6 -21.893 -3.983 2.100 52 3HZ LYS 6 HZ3 LYS 6 -20.715 -2.792 2.409 53 H GLN 7 HN GLN 7 -16.803 -1.358 2.480 54 HA GLN 7 HA GLN 7 -14.604 -1.744 2.287 55 1HB GLN 7 HB2 GLN 7 -15.833 -2.438 -0.191 56 2HB GLN 7 HB3 GLN 7 -14.214 -1.837 -0.528 57 1HG GLN 7 HG2 GLN 7 -13.457 -3.408 1.358 58 2HG GLN 7 HG3 GLN 7 -15.041 -4.157 1.187 59 1HE2 GLN 7 HE22 GLN 7 -12.927 -6.213 -0.867 60 2HE2 GLN 7 HE21 GLN 7 -13.301 -5.912 0.794 61 H GLU 8 HN GLU 8 -15.479 1.154 2.087 62 HA GLU 8 HA GLU 8 -13.340 2.423 0.597 63 1HB GLU 8 HB2 GLU 8 -15.683 3.310 2.195 64 2HB GLU 8 HB3 GLU 8 -14.343 4.436 2.095 65 1HG GLU 8 HG2 GLU 8 -15.331 3.205 -0.424 66 2HG GLU 8 HG3 GLU 8 -16.317 4.443 0.354 67 H GLU 9 HN GLU 9 -12.449 0.537 2.476 68 HA GLU 9 HA GLU 9 -10.976 2.223 4.406 69 1HB GLU 9 HB2 GLU 9 -12.085 -0.565 4.779 70 2HB GLU 9 HB3 GLU 9 -10.853 0.119 5.830 71 1HG GLU 9 HG2 GLU 9 -13.404 1.618 5.389 72 2HG GLU 9 HG3 GLU 9 -13.379 0.240 6.484 73 H LEU 10 HN LEU 10 -10.964 -0.589 2.269 74 HA LEU 10 HA LEU 10 -8.398 -1.554 2.533 75 1HB LEU 10 HB2 LEU 10 -10.072 -2.602 1.107 76 2HB LEU 10 HB3 LEU 10 -10.020 -1.249 -0.005 77 HG LEU 10 HG LEU 10 -7.723 -1.851 -0.644 78 1HD1 LEU 10 HD12 LEU 10 -8.012 -3.691 1.652 79 2HD1 LEU 10 HD13 LEU 10 -7.127 -4.290 0.251 80 3HD1 LEU 10 HD11 LEU 10 -6.597 -2.819 1.063 81 1HD2 LEU 10 HD21 LEU 10 -9.845 -2.989 -1.625 82 2HD2 LEU 10 HD22 LEU 10 -8.249 -3.637 -2.013 83 3HD2 LEU 10 HD23 LEU 10 -9.247 -4.417 -0.781 84 H VAL 11 HN VAL 11 -9.437 1.347 0.833 85 HA VAL 11 HA VAL 11 -6.885 1.884 -0.373 86 HB VAL 11 HB VAL 11 -9.327 3.618 0.028 87 1HG1 VAL 11 HG12 VAL 11 -6.606 4.377 -0.973 88 2HG1 VAL 11 HG13 VAL 11 -8.046 5.136 -1.657 89 3HG1 VAL 11 HG11 VAL 11 -7.710 5.278 0.067 90 1HG2 VAL 11 HG21 VAL 11 -8.022 2.428 -2.422 91 2HG2 VAL 11 HG22 VAL 11 -9.523 1.882 -1.665 92 3HG2 VAL 11 HG23 VAL 11 -9.444 3.474 -2.423 93 H LYS 12 HN LYS 12 -8.525 3.111 2.602 94 HA LYS 12 HA LYS 12 -6.484 4.931 3.354 95 1HB LYS 12 HB2 LYS 12 -8.559 3.460 4.979 96 2HB LYS 12 HB3 LYS 12 -7.396 4.545 5.724 97 1HG LYS 12 HG2 LYS 12 -8.923 6.126 5.392 98 2HG LYS 12 HG3 LYS 12 -8.397 6.088 3.705 99 1HD LYS 12 HD2 LYS 12 -10.104 4.287 3.331 100 2HD LYS 12 HD3 LYS 12 -10.726 4.637 4.945 101 1HE LYS 12 HE2 LYS 12 -11.879 6.385 4.197 102 2HE LYS 12 HE3 LYS 12 -10.434 7.092 3.485 103 1HZ LYS 12 HZ3 LYS 12 -11.936 4.952 2.117 104 2HZ LYS 12 HZ2 LYS 12 -12.378 6.582 1.954 105 3HZ LYS 12 HZ1 LYS 12 -10.835 6.064 1.447 106 H ALA 13 HN ALA 13 -6.995 1.523 4.056 107 HA ALA 13 HA ALA 13 -4.783 1.130 5.783 108 1HB ALA 13 HB1 ALA 13 -6.232 -0.824 3.990 109 2HB ALA 13 HB2 ALA 13 -5.026 -1.278 5.194 110 3HB ALA 13 HB3 ALA 13 -6.534 -0.517 5.701 111 H PHE 14 HN PHE 14 -5.130 0.716 2.244 112 HA PHE 14 HA PHE 14 -2.575 -0.227 1.665 113 1HB PHE 14 HB2 PHE 14 -4.587 0.010 0.081 114 2HB PHE 14 HB3 PHE 14 -4.046 1.658 -0.189 115 HD1 PHE 14 HD1 PHE 14 -3.125 -1.911 -0.503 116 HD2 PHE 14 HD2 PHE 14 -2.168 2.103 -1.575 117 HE1 PHE 14 HE1 PHE 14 -1.525 -2.734 -2.154 118 HE2 PHE 14 HE2 PHE 14 -0.553 1.266 -3.236 119 HZ PHE 14 HZ PHE 14 -0.246 -1.153 -3.510 120 H LYS 15 HN LYS 15 -3.647 3.203 1.440 121 HA LYS 15 HA LYS 15 -1.195 4.345 0.878 122 1HB LYS 15 HB2 LYS 15 -3.264 5.634 2.694 123 2HB LYS 15 HB3 LYS 15 -2.107 6.446 1.648 124 1HG LYS 15 HG2 LYS 15 -4.279 4.680 0.585 125 2HG LYS 15 HG3 LYS 15 -4.528 6.387 0.896 126 1HD LYS 15 HD2 LYS 15 -2.121 5.975 -0.630 127 2HD LYS 15 HD3 LYS 15 -3.467 5.137 -1.393 128 1HE LYS 15 HE2 LYS 15 -3.027 7.561 -2.112 129 2HE LYS 15 HE3 LYS 15 -4.682 7.106 -1.719 130 1HZ LYS 15 HZ3 LYS 15 -3.301 8.086 0.587 131 2HZ LYS 15 HZ2 LYS 15 -3.281 9.227 -0.675 132 3HZ LYS 15 HZ1 LYS 15 -4.763 8.614 -0.105 133 H ALA 16 HN ALA 16 -2.582 3.647 4.075 134 HA ALA 16 HA ALA 16 -0.584 4.801 5.671 135 1HB ALA 16 HB2 ALA 16 -2.843 4.074 6.451 136 2HB ALA 16 HB3 ALA 16 -2.262 2.408 6.414 137 3HB ALA 16 HB1 ALA 16 -1.513 3.582 7.499 138 H LEU 17 HN LEU 17 -0.929 1.396 4.591 139 HA LEU 17 HA LEU 17 1.295 0.296 5.854 140 1HB LEU 17 HB2 LEU 17 0.085 -0.377 3.169 141 2HB LEU 17 HB3 LEU 17 1.326 -1.344 3.933 142 HG LEU 17 HG LEU 17 -1.531 -0.990 4.734 143 1HD1 LEU 17 HD11 LEU 17 0.266 -3.329 4.209 144 2HD1 LEU 17 HD12 LEU 17 -1.349 -3.485 4.901 145 3HD1 LEU 17 HD13 LEU 17 -1.142 -2.810 3.285 146 1HD2 LEU 17 HD23 LEU 17 0.716 -1.858 6.531 147 2HD2 LEU 17 HD21 LEU 17 -0.483 -0.597 6.818 148 3HD2 LEU 17 HD22 LEU 17 -0.966 -2.291 6.816 149 H LEU 18 HN LEU 18 1.114 1.885 2.696 150 HA LEU 18 HA LEU 18 3.877 1.548 2.037 151 1HB LEU 18 HB2 LEU 18 1.939 3.615 0.995 152 2HB LEU 18 HB3 LEU 18 3.464 3.163 0.262 153 HG LEU 18 HG LEU 18 1.210 1.185 0.608 154 1HD1 LEU 18 HD11 LEU 18 1.350 3.470 -1.142 155 2HD1 LEU 18 HD12 LEU 18 1.299 1.961 -2.057 156 3HD1 LEU 18 HD13 LEU 18 0.040 2.325 -0.880 157 1HD2 LEU 18 HD22 LEU 18 3.528 0.346 0.160 158 2HD2 LEU 18 HD23 LEU 18 2.348 -0.064 -1.085 159 3HD2 LEU 18 HD21 LEU 18 3.492 1.247 -1.360 160 H LYS 19 HN LYS 19 2.020 4.354 3.213 161 HA LYS 19 HA LYS 19 4.185 6.133 3.351 162 1HB LYS 19 HB2 LYS 19 1.502 6.122 4.728 163 2HB LYS 19 HB3 LYS 19 2.651 7.448 4.879 164 1HG LYS 19 HG2 LYS 19 2.577 7.830 2.479 165 2HG LYS 19 HG3 LYS 19 1.491 6.451 2.268 166 1HD LYS 19 HD2 LYS 19 -0.292 7.712 2.736 167 2HD LYS 19 HD3 LYS 19 0.427 8.250 4.252 168 1HE LYS 19 HE2 LYS 19 0.870 9.465 1.522 169 2HE LYS 19 HE3 LYS 19 -0.086 10.149 2.833 170 1HZ LYS 19 HZ2 LYS 19 2.620 9.550 3.612 171 2HZ LYS 19 HZ1 LYS 19 2.528 10.677 2.345 172 3HZ LYS 19 HZ3 LYS 19 1.718 10.978 3.812 173 H GLU 20 HN GLU 20 3.330 3.580 5.520 174 HA GLU 20 HA GLU 20 4.634 4.636 7.860 175 1HB GLU 20 HB2 GLU 20 3.481 1.977 7.082 176 2HB GLU 20 HB3 GLU 20 4.539 2.073 8.484 177 1HG GLU 20 HG2 GLU 20 3.060 3.656 9.549 178 2HG GLU 20 HG3 GLU 20 2.035 3.717 8.118 179 H GLU 21 HN GLU 21 5.694 3.145 4.959 180 HA GLU 21 HA GLU 21 7.685 2.466 4.138 181 1HB GLU 21 HB2 GLU 21 8.929 3.895 6.493 182 2HB GLU 21 HB3 GLU 21 9.699 3.500 4.965 183 1HG GLU 21 HG2 GLU 21 7.983 4.977 3.854 184 2HG GLU 21 HG3 GLU 21 7.518 5.509 5.468 185 H LYS 22 HN LYS 22 7.130 0.278 4.577 186 HA LYS 22 HA LYS 22 8.974 -1.032 6.434 187 1HB LYS 22 HB2 LYS 22 7.065 -1.026 7.816 188 2HB LYS 22 HB3 LYS 22 5.974 -1.305 6.468 189 1HG LYS 22 HG2 LYS 22 6.214 -3.552 6.545 190 2HG LYS 22 HG3 LYS 22 7.916 -3.464 6.996 191 1HD LYS 22 HD2 LYS 22 7.069 -4.270 8.941 192 2HD LYS 22 HD3 LYS 22 6.921 -2.546 9.265 193 1HE LYS 22 HE2 LYS 22 4.655 -4.041 7.986 194 2HE LYS 22 HE3 LYS 22 4.912 -4.133 9.727 195 1HZ LYS 22 HZ1 LYS 22 4.877 -1.633 9.724 196 2HZ LYS 22 HZ3 LYS 22 4.321 -1.703 8.118 197 3HZ LYS 22 HZ2 LYS 22 3.394 -2.382 9.368 198 H PHE 23 HN PHE 23 6.399 -1.630 4.067 199 HA PHE 23 HA PHE 23 7.462 -4.138 3.223 200 1HB PHE 23 HB2 PHE 23 5.376 -2.430 1.840 201 2HB PHE 23 HB3 PHE 23 5.615 -4.177 1.676 202 HD1 PHE 23 HD1 PHE 23 5.253 -5.642 3.681 203 HD2 PHE 23 HD2 PHE 23 4.079 -1.560 3.618 204 HE1 PHE 23 HE1 PHE 23 3.794 -6.040 5.613 205 HE2 PHE 23 HE2 PHE 23 2.612 -1.952 5.550 206 HZ PHE 23 HZ PHE 23 2.462 -4.193 6.547 207 H SER 24 HN SER 24 8.825 -4.617 1.653 208 HA SER 24 HA SER 24 9.773 -2.480 -0.149 209 1HB SER 24 HB2 SER 24 11.708 -4.253 -0.463 210 2HB SER 24 HB3 SER 24 11.686 -3.191 0.937 211 HG SER 24 HG SER 24 11.320 -4.835 2.212 212 H SER 25 HN SER 25 7.910 -5.288 -0.132 213 HA SER 25 HA SER 25 7.914 -5.354 -3.067 214 1HB SER 25 HB2 SER 25 7.650 -7.908 -2.876 215 2HB SER 25 HB3 SER 25 9.261 -7.244 -2.626 216 HG SER 25 HG SER 25 9.239 -7.922 -0.639 217 H GLN 26 HN GLN 26 5.972 -6.565 -3.902 218 HA GLN 26 HA GLN 26 3.589 -5.442 -2.824 219 1HB GLN 26 HB2 GLN 26 3.631 -7.758 -4.744 220 2HB GLN 26 HB3 GLN 26 2.496 -6.450 -4.624 221 1HG GLN 26 HG2 GLN 26 4.191 -4.884 -5.455 222 2HG GLN 26 HG3 GLN 26 5.320 -6.225 -5.617 223 1HE2 GLN 26 HE22 GLN 26 3.723 -5.515 -8.894 224 2HE2 GLN 26 HE21 GLN 26 4.602 -4.580 -7.733 225 H GLY 27 HN GLY 27 4.522 -8.865 -3.148 226 1HA GLY 27 HA1 GLY 27 2.555 -10.224 -1.952 227 2HA GLY 27 HA2 GLY 27 4.226 -10.671 -1.716 228 H GLU 28 HN GLU 28 5.092 -8.612 -0.022 229 HA GLU 28 HA GLU 28 4.206 -9.590 2.463 230 1HB GLU 28 HB2 GLU 28 5.839 -7.130 1.814 231 2HB GLU 28 HB3 GLU 28 5.610 -7.780 3.435 232 1HG GLU 28 HG2 GLU 28 6.469 -9.935 1.831 233 2HG GLU 28 HG3 GLU 28 7.490 -8.567 1.405 234 H ILE 29 HN ILE 29 3.290 -6.632 0.697 235 HA ILE 29 HA ILE 29 1.693 -5.655 2.901 236 HB ILE 29 HB ILE 29 2.170 -3.755 1.881 237 1HG1 ILE 29 HG12 ILE 29 0.041 -4.521 -0.119 238 2HG1 ILE 29 HG13 ILE 29 -0.258 -3.886 1.497 239 1HG2 ILE 29 HG22 ILE 29 3.694 -4.899 0.281 240 2HG2 ILE 29 HG23 ILE 29 2.345 -4.973 -0.848 241 3HG2 ILE 29 HG21 ILE 29 2.965 -3.418 -0.321 242 1HD1 ILE 29 HD13 ILE 29 1.413 -1.997 0.486 243 2HD1 ILE 29 HD11 ILE 29 0.532 -2.504 -0.957 244 3HD1 ILE 29 HD12 ILE 29 -0.347 -1.912 0.456 245 H VAL 30 HN VAL 30 1.215 -7.798 0.206 246 HA VAL 30 HA VAL 30 -1.611 -7.756 0.005 247 HB VAL 30 HB VAL 30 0.168 -10.193 -0.340 248 1HG1 VAL 30 HG11 VAL 30 -2.633 -9.564 -1.236 249 2HG1 VAL 30 HG12 VAL 30 -1.677 -10.874 -1.923 250 3HG1 VAL 30 HG13 VAL 30 -2.093 -10.894 -0.212 251 1HG2 VAL 30 HG23 VAL 30 0.585 -8.002 -1.779 252 2HG2 VAL 30 HG21 VAL 30 0.673 -9.609 -2.481 253 3HG2 VAL 30 HG22 VAL 30 -0.777 -8.641 -2.685 254 H ALA 31 HN ALA 31 0.596 -9.713 1.998 255 HA ALA 31 HA ALA 31 -1.445 -11.032 3.506 256 1HB ALA 31 HB1 ALA 31 1.494 -10.629 4.087 257 2HB ALA 31 HB2 ALA 31 0.416 -11.652 5.037 258 3HB ALA 31 HB3 ALA 31 0.738 -12.040 3.346 259 H ALA 32 HN ALA 32 0.447 -8.077 3.981 260 HA ALA 32 HA ALA 32 -0.125 -7.530 6.636 261 1HB ALA 32 HB3 ALA 32 1.513 -6.307 5.265 262 2HB ALA 32 HB1 ALA 32 0.187 -5.478 4.455 263 3HB ALA 32 HB2 ALA 32 0.451 -5.241 6.182 264 H LEU 33 HN LEU 33 -2.156 -6.915 3.793 265 HA LEU 33 HA LEU 33 -4.108 -5.389 5.286 266 1HB LEU 33 HB2 LEU 33 -4.413 -6.687 2.571 267 2HB LEU 33 HB3 LEU 33 -5.490 -5.494 3.282 268 HG LEU 33 HG LEU 33 -2.590 -4.861 2.752 269 1HD1 LEU 33 HD12 LEU 33 -4.920 -4.763 0.862 270 2HD1 LEU 33 HD13 LEU 33 -3.517 -3.718 0.676 271 3HD1 LEU 33 HD11 LEU 33 -3.325 -5.467 0.607 272 1HD2 LEU 33 HD23 LEU 33 -5.062 -3.171 3.091 273 2HD2 LEU 33 HD21 LEU 33 -3.748 -3.356 4.250 274 3HD2 LEU 33 HD22 LEU 33 -3.456 -2.560 2.705 275 H GLN 34 HN GLN 34 -3.594 -8.782 4.502 276 HA GLN 34 HA GLN 34 -6.196 -9.704 5.205 277 1HB GLN 34 HB2 GLN 34 -3.545 -11.172 5.183 278 2HB GLN 34 HB3 GLN 34 -5.113 -11.938 5.401 279 1HG GLN 34 HG2 GLN 34 -5.803 -11.263 3.188 280 2HG GLN 34 HG3 GLN 34 -4.306 -10.362 2.962 281 1HE2 GLN 34 HE22 GLN 34 -3.734 -13.445 1.161 282 2HE2 GLN 34 HE21 GLN 34 -4.633 -11.974 1.017 283 H GLU 35 HN GLU 35 -3.241 -9.087 7.047 284 HA GLU 35 HA GLU 35 -4.312 -10.165 9.509 285 1HB GLU 35 HB2 GLU 35 -2.276 -9.422 10.558 286 2HB GLU 35 HB3 GLU 35 -1.877 -10.178 9.022 287 1HG GLU 35 HG2 GLU 35 -1.124 -8.288 8.091 288 2HG GLU 35 HG3 GLU 35 -2.197 -7.243 9.008 289 H GLN 36 HN GLN 36 -4.725 -7.263 7.803 290 HA GLN 36 HA GLN 36 -5.194 -5.536 10.096 291 1HB GLN 36 HB2 GLN 36 -5.309 -5.188 7.130 292 2HB GLN 36 HB3 GLN 36 -6.169 -4.053 8.152 293 1HG GLN 36 HG2 GLN 36 -3.370 -4.580 8.920 294 2HG GLN 36 HG3 GLN 36 -3.598 -3.761 7.377 295 1HE2 GLN 36 HE22 GLN 36 -3.886 -0.710 8.996 296 2HE2 GLN 36 HE21 GLN 36 -3.215 -1.663 7.720 297 H GLY 37 HN GLY 37 -7.239 -6.637 7.376 298 1HA GLY 37 HA1 GLY 37 -9.326 -7.740 8.770 299 2HA GLY 37 HA2 GLY 37 -9.660 -6.013 8.794 300 H PHE 38 HN PHE 38 -8.127 -7.710 6.083 301 HA PHE 38 HA PHE 38 -10.590 -7.243 4.503 302 1HB PHE 38 HB2 PHE 38 -7.747 -6.962 3.507 303 2HB PHE 38 HB3 PHE 38 -9.222 -6.641 2.596 304 HD1 PHE 38 HD2 PHE 38 -10.655 -4.721 3.186 305 HD2 PHE 38 HD1 PHE 38 -6.896 -5.364 5.062 306 HE1 PHE 38 HE2 PHE 38 -10.661 -2.407 4.009 307 HE2 PHE 38 HE1 PHE 38 -6.895 -3.059 5.887 308 HZ PHE 38 HZ PHE 38 -8.767 -1.575 5.356 309 H ASP 39 HN ASP 39 -11.054 -8.693 2.849 310 HA ASP 39 HA ASP 39 -9.476 -11.093 2.553 311 1HB ASP 39 HB2 ASP 39 -11.226 -11.539 4.368 312 2HB ASP 39 HB3 ASP 39 -12.446 -11.329 3.114 313 H ASN 40 HN ASN 40 -9.530 -11.791 0.586 314 HA ASN 40 HA ASN 40 -10.209 -12.181 -1.611 315 1HB ASN 40 HB2 ASN 40 -12.588 -11.392 -1.013 316 2HB ASN 40 HB3 ASN 40 -12.063 -9.791 -1.515 317 1HD2 ASN 40 HD22 ASN 40 -12.327 -12.735 -4.355 318 2HD2 ASN 40 HD21 ASN 40 -11.870 -13.132 -2.733 319 H ILE 41 HN ILE 41 -7.973 -11.254 -0.948 320 HA ILE 41 HA ILE 41 -7.384 -8.966 -2.708 321 HB ILE 41 HB ILE 41 -6.876 -9.195 0.201 322 1HG1 ILE 41 HG12 ILE 41 -8.164 -7.411 -1.276 323 2HG1 ILE 41 HG13 ILE 41 -7.321 -6.942 0.196 324 1HG2 ILE 41 HG23 ILE 41 -4.661 -8.279 -1.618 325 2HG2 ILE 41 HG21 ILE 41 -4.773 -7.859 0.087 326 3HG2 ILE 41 HG22 ILE 41 -4.602 -9.548 -0.389 327 1HD1 ILE 41 HD12 ILE 41 -5.727 -6.863 -2.270 328 2HD1 ILE 41 HD13 ILE 41 -7.027 -5.676 -2.136 329 3HD1 ILE 41 HD11 ILE 41 -5.767 -5.751 -0.902 330 H ASN 42 HN ASN 42 -5.431 -9.143 -3.824 331 HA ASN 42 HA ASN 42 -3.699 -11.442 -3.345 332 1HB ASN 42 HB2 ASN 42 -3.907 -12.290 -5.642 333 2HB ASN 42 HB3 ASN 42 -5.455 -12.344 -4.813 334 1HD2 ASN 42 HD22 ASN 42 -6.132 -11.123 -8.186 335 2HD2 ASN 42 HD21 ASN 42 -5.545 -12.571 -7.445 336 H GLN 43 HN GLN 43 -2.118 -11.468 -5.451 337 HA GLN 43 HA GLN 43 -0.385 -9.306 -5.148 338 1HB GLN 43 HB2 GLN 43 -0.247 -11.773 -6.366 339 2HB GLN 43 HB3 GLN 43 -0.213 -10.699 -7.751 340 1HG GLN 43 HG2 GLN 43 2.027 -11.100 -7.190 341 2HG GLN 43 HG3 GLN 43 1.675 -9.468 -6.632 342 1HE2 GLN 43 HE22 GLN 43 1.475 -11.912 -3.441 343 2HE2 GLN 43 HE21 GLN 43 0.331 -11.969 -4.733 344 H SER 44 HN SER 44 -2.904 -9.863 -7.577 345 HA SER 44 HA SER 44 -2.310 -7.748 -9.281 346 1HB SER 44 HB2 SER 44 -5.040 -8.850 -8.802 347 2HB SER 44 HB3 SER 44 -4.411 -8.143 -10.270 348 HG SER 44 HG SER 44 -2.783 -9.992 -10.033 349 H LYS 45 HN LYS 45 -4.531 -7.846 -6.492 350 HA LYS 45 HA LYS 45 -5.535 -5.206 -6.759 351 1HB LYS 45 HB2 LYS 45 -5.654 -7.339 -4.766 352 2HB LYS 45 HB3 LYS 45 -5.506 -5.765 -4.004 353 1HG LYS 45 HG2 LYS 45 -7.822 -6.352 -4.190 354 2HG LYS 45 HG3 LYS 45 -7.483 -4.986 -5.253 355 1HD LYS 45 HD2 LYS 45 -7.310 -6.586 -7.152 356 2HD LYS 45 HD3 LYS 45 -7.758 -7.889 -6.044 357 1HE LYS 45 HE2 LYS 45 -9.791 -6.216 -5.564 358 2HE LYS 45 HE3 LYS 45 -9.419 -5.724 -7.217 359 1HZ LYS 45 HZ1 LYS 45 -9.616 -8.063 -7.893 360 2HZ LYS 45 HZ3 LYS 45 -10.058 -8.482 -6.300 361 3HZ LYS 45 HZ2 LYS 45 -11.060 -7.469 -7.224 362 H VAL 46 HN VAL 46 -2.693 -6.516 -5.161 363 HA VAL 46 HA VAL 46 -1.924 -4.074 -3.874 364 HB VAL 46 HB VAL 46 -0.520 -6.709 -4.260 365 1HG1 VAL 46 HG12 VAL 46 1.185 -4.961 -4.107 366 2HG1 VAL 46 HG13 VAL 46 0.419 -4.348 -2.636 367 3HG1 VAL 46 HG11 VAL 46 1.151 -5.953 -2.655 368 1HG2 VAL 46 HG22 VAL 46 -2.174 -5.410 -2.138 369 2HG2 VAL 46 HG23 VAL 46 -2.169 -7.081 -2.699 370 3HG2 VAL 46 HG21 VAL 46 -0.882 -6.501 -1.644 371 H SER 47 HN SER 47 -0.879 -5.744 -6.855 372 HA SER 47 HA SER 47 1.152 -3.829 -7.477 373 1HB SER 47 HB2 SER 47 1.042 -4.890 -9.777 374 2HB SER 47 HB3 SER 47 1.407 -5.980 -8.449 375 HG SER 47 HG SER 47 -0.270 -7.092 -8.997 376 H ARG 48 HN ARG 48 -2.255 -4.205 -8.327 377 HA ARG 48 HA ARG 48 -2.347 -2.139 -10.281 378 1HB ARG 48 HB2 ARG 48 -4.439 -3.558 -8.656 379 2HB ARG 48 HB3 ARG 48 -4.881 -2.186 -9.648 380 1HG ARG 48 HG2 ARG 48 -3.253 -4.135 -11.089 381 2HG ARG 48 HG3 ARG 48 -4.749 -4.822 -10.460 382 1HD ARG 48 HD2 ARG 48 -4.669 -3.696 -12.840 383 2HD ARG 48 HD3 ARG 48 -6.080 -3.537 -11.799 384 HE ARG 48 HE ARG 48 -5.647 -1.288 -11.557 385 1HH1 ARG 48 HH12 ARG 48 -2.881 -2.823 -13.064 386 2HH1 ARG 48 HH11 ARG 48 -2.105 -1.320 -13.453 387 1HH2 ARG 48 HH22 ARG 48 -4.621 0.690 -12.080 388 2HH2 ARG 48 HH21 ARG 48 -3.082 0.661 -12.902 389 H MET 49 HN MET 49 -3.009 -2.169 -6.787 390 HA MET 49 HA MET 49 -3.747 0.576 -6.643 391 1HB MET 49 HB2 MET 49 -2.966 -1.469 -4.583 392 2HB MET 49 HB3 MET 49 -3.188 0.215 -4.137 393 1HG MET 49 HG2 MET 49 -5.477 0.085 -5.155 394 2HG MET 49 HG3 MET 49 -5.238 -1.653 -5.291 395 1HE MET 49 HE2 MET 49 -7.128 0.651 -3.689 396 2HE MET 49 HE3 MET 49 -7.834 -0.958 -3.576 397 3HE MET 49 HE1 MET 49 -7.506 -0.040 -2.110 398 H LEU 50 HN LEU 50 -0.654 -1.115 -6.435 399 HA LEU 50 HA LEU 50 0.910 1.018 -5.430 400 1HB LEU 50 HB2 LEU 50 1.491 -1.487 -6.952 401 2HB LEU 50 HB3 LEU 50 2.746 -0.260 -6.892 402 HG LEU 50 HG LEU 50 1.467 -1.242 -4.378 403 1HD1 LEU 50 HD11 LEU 50 3.631 -2.586 -5.950 404 2HD1 LEU 50 HD12 LEU 50 3.449 -2.809 -4.209 405 3HD1 LEU 50 HD13 LEU 50 2.152 -3.291 -5.300 406 1HD2 LEU 50 HD23 LEU 50 3.938 0.226 -5.091 407 2HD2 LEU 50 HD21 LEU 50 2.748 0.546 -3.825 408 3HD2 LEU 50 HD22 LEU 50 3.905 -0.773 -3.637 409 H THR 51 HN THR 51 0.377 -0.049 -8.803 410 HA THR 51 HA THR 51 1.754 2.152 -9.958 411 HB THR 51 HB THR 51 -0.359 0.595 -11.445 412 HG1 THR 51 HG1 THR 51 0.729 -1.206 -11.315 413 1HG2 THR 51 HG22 THR 51 0.939 2.328 -12.643 414 2HG2 THR 51 HG21 THR 51 2.411 1.435 -12.273 415 3HG2 THR 51 HG23 THR 51 1.168 0.705 -13.289 416 H LYS 52 HN LYS 52 -1.608 1.638 -9.032 417 HA LYS 52 HA LYS 52 -2.708 3.889 -10.390 418 1HB LYS 52 HB2 LYS 52 -4.113 2.029 -9.646 419 2HB LYS 52 HB3 LYS 52 -3.744 2.387 -7.968 420 1HG LYS 52 HG2 LYS 52 -4.817 4.676 -9.414 421 2HG LYS 52 HG3 LYS 52 -5.914 3.299 -9.401 422 1HD LYS 52 HD2 LYS 52 -6.439 3.605 -7.256 423 2HD LYS 52 HD3 LYS 52 -4.752 3.747 -6.775 424 1HE LYS 52 HE2 LYS 52 -6.470 5.730 -6.458 425 2HE LYS 52 HE3 LYS 52 -4.783 6.027 -6.841 426 1HZ LYS 52 HZ2 LYS 52 -5.449 6.197 -9.213 427 2HZ LYS 52 HZ1 LYS 52 -7.077 6.044 -8.735 428 3HZ LYS 52 HZ3 LYS 52 -6.159 7.387 -8.232 429 H PHE 53 HN PHE 53 -1.656 3.392 -7.009 430 HA PHE 53 HA PHE 53 -2.106 6.170 -6.344 431 1HB PHE 53 HB2 PHE 53 -0.989 3.832 -4.767 432 2HB PHE 53 HB3 PHE 53 -1.043 5.468 -4.121 433 HD1 PHE 53 HD1 PHE 53 -3.540 6.566 -4.747 434 HD2 PHE 53 HD2 PHE 53 -2.641 2.490 -3.894 435 HE1 PHE 53 HE1 PHE 53 -5.864 6.200 -4.041 436 HE2 PHE 53 HE2 PHE 53 -4.955 2.123 -3.181 437 HZ PHE 53 HZ PHE 53 -6.574 3.984 -3.268 438 H GLY 54 HN GLY 54 0.408 4.526 -7.877 439 1HA GLY 54 HA1 GLY 54 2.484 5.207 -8.589 440 2HA GLY 54 HA2 GLY 54 2.036 6.826 -8.082 441 H ALA 55 HN ALA 55 2.665 3.776 -6.331 442 HA ALA 55 HA ALA 55 4.063 5.170 -4.232 443 1HB ALA 55 HB2 ALA 55 3.397 2.298 -4.745 444 2HB ALA 55 HB3 ALA 55 4.470 2.757 -3.426 445 3HB ALA 55 HB1 ALA 55 2.814 3.360 -3.468 446 H VAL 56 HN VAL 56 6.154 5.665 -4.220 447 HA VAL 56 HA VAL 56 8.017 4.344 -6.084 448 HB VAL 56 HB VAL 56 9.485 6.247 -5.800 449 1HG1 VAL 56 HG11 VAL 56 6.628 6.842 -6.450 450 2HG1 VAL 56 HG12 VAL 56 7.818 8.142 -6.456 451 3HG1 VAL 56 HG13 VAL 56 8.027 6.748 -7.518 452 1HG2 VAL 56 HG23 VAL 56 7.595 7.013 -3.605 453 2HG2 VAL 56 HG21 VAL 56 9.357 6.963 -3.598 454 3HG2 VAL 56 HG22 VAL 56 8.515 8.257 -4.451 455 H ARG 57 HN ARG 57 9.947 3.401 -5.320 456 HA ARG 57 HA ARG 57 9.925 2.711 -2.478 457 1HB ARG 57 HB2 ARG 57 11.552 1.640 -4.778 458 2HB ARG 57 HB3 ARG 57 11.800 1.151 -3.111 459 1HG ARG 57 HG2 ARG 57 9.465 0.355 -3.021 460 2HG ARG 57 HG3 ARG 57 9.281 0.782 -4.721 461 1HD ARG 57 HD2 ARG 57 9.724 -1.603 -4.460 462 2HD ARG 57 HD3 ARG 57 11.027 -0.794 -5.329 463 HE ARG 57 HE ARG 57 11.568 -0.967 -2.529 464 1HH1 ARG 57 HH12 ARG 57 11.580 -2.844 -5.479 465 2HH1 ARG 57 HH11 ARG 57 12.812 -3.947 -4.925 466 1HH2 ARG 57 HH22 ARG 57 13.170 -2.396 -1.791 467 2HH2 ARG 57 HH21 ARG 57 13.721 -3.692 -2.816 468 H THR 58 HN THR 58 11.521 3.220 -1.043 469 HA THR 58 HA THR 58 13.898 4.671 -1.855 470 HB THR 58 HB THR 58 12.487 6.553 -1.932 471 HG1 THR 58 HG1 THR 58 13.073 6.879 0.771 472 1HG2 THR 58 HG23 THR 58 11.089 5.457 0.481 473 2HG2 THR 58 HG22 THR 58 10.934 7.143 -0.015 474 3HG2 THR 58 HG21 THR 58 10.422 5.854 -1.102 475 H ARG 59 HN ARG 59 15.362 5.085 -0.056 476 HA ARG 59 HA ARG 59 15.323 2.952 1.855 477 1HB ARG 59 HB2 ARG 59 17.236 5.062 0.999 478 2HB ARG 59 HB3 ARG 59 17.428 4.442 2.626 479 1HG ARG 59 HG2 ARG 59 17.265 2.107 1.363 480 2HG ARG 59 HG3 ARG 59 17.861 3.091 0.023 481 1HD ARG 59 HD2 ARG 59 19.149 2.610 2.703 482 2HD ARG 59 HD3 ARG 59 19.770 2.177 1.117 483 HE ARG 59 HE ARG 59 20.005 4.715 2.445 484 1HH1 ARG 59 HH12 ARG 59 19.917 3.172 -0.711 485 2HH1 ARG 59 HH11 ARG 59 20.795 4.465 -1.483 486 1HH2 ARG 59 HH22 ARG 59 21.143 6.370 1.424 487 2HH2 ARG 59 HH21 ARG 59 21.490 6.272 -0.272 488 H ASN 60 HN ASN 60 14.545 3.005 3.878 489 HA ASN 60 HA ASN 60 13.490 5.501 4.943 490 1HB ASN 60 HB2 ASN 60 12.249 4.188 6.489 491 2HB ASN 60 HB3 ASN 60 12.157 3.371 4.939 492 1HD2 ASN 60 HD22 ASN 60 12.711 0.836 7.557 493 2HD2 ASN 60 HD21 ASN 60 11.514 2.032 7.200 494 H ALA 61 HN ALA 61 13.639 4.975 7.703 495 HA ALA 61 HA ALA 61 16.063 6.202 8.393 496 1HB ALA 61 HB3 ALA 61 13.918 6.201 9.720 497 2HB ALA 61 HB1 ALA 61 14.377 4.602 10.307 498 3HB ALA 61 HB2 ALA 61 15.399 5.998 10.652 499 H LYS 62 HN LYS 62 15.214 2.802 8.213 500 HA LYS 62 HA LYS 62 17.831 2.029 9.312 501 1HB LYS 62 HB2 LYS 62 15.383 0.363 8.691 502 2HB LYS 62 HB3 LYS 62 16.912 -0.275 9.285 503 1HG LYS 62 HG2 LYS 62 16.430 1.583 11.177 504 2HG LYS 62 HG3 LYS 62 14.774 1.185 10.716 505 1HD LYS 62 HD2 LYS 62 16.877 -0.822 11.555 506 2HD LYS 62 HD3 LYS 62 15.606 -0.193 12.598 507 1HE LYS 62 HE2 LYS 62 15.209 -1.812 10.082 508 2HE LYS 62 HE3 LYS 62 15.005 -2.387 11.736 509 1HZ LYS 62 HZ3 LYS 62 13.355 -0.317 11.769 510 2HZ LYS 62 HZ2 LYS 62 13.251 -0.717 10.114 511 3HZ LYS 62 HZ1 LYS 62 12.868 -1.878 11.299 512 H MET 63 HN MET 63 17.571 3.227 6.681 513 HA MET 63 HA MET 63 18.154 2.977 4.516 514 1HB MET 63 HB2 MET 63 20.213 1.452 4.191 515 2HB MET 63 HB3 MET 63 20.355 2.847 5.246 516 1HG MET 63 HG2 MET 63 20.108 1.383 7.201 517 2HG MET 63 HG3 MET 63 19.947 -0.007 6.131 518 1HE MET 63 HE2 MET 63 21.932 3.065 6.856 519 2HE MET 63 HE3 MET 63 23.588 2.511 7.074 520 3HE MET 63 HE1 MET 63 22.987 2.891 5.455 521 H GLU 64 HN GLU 64 15.884 1.329 5.079 522 HA GLU 64 HA GLU 64 16.370 -1.050 3.410 523 1HB GLU 64 HB2 GLU 64 13.999 -0.299 5.148 524 2HB GLU 64 HB3 GLU 64 14.089 -1.751 4.167 525 1HG GLU 64 HG2 GLU 64 16.262 -2.222 5.517 526 2HG GLU 64 HG3 GLU 64 15.598 -1.042 6.647 527 H MET 65 HN MET 65 15.786 -0.998 1.309 528 HA MET 65 HA MET 65 14.496 1.300 0.161 529 1HB MET 65 HB2 MET 65 15.385 -1.362 -0.970 530 2HB MET 65 HB3 MET 65 14.570 -0.153 -1.950 531 1HG MET 65 HG2 MET 65 16.399 1.451 -1.308 532 2HG MET 65 HG3 MET 65 17.247 0.075 -0.604 533 1HE MET 65 HE2 MET 65 15.171 0.822 -3.867 534 2HE MET 65 HE3 MET 65 16.434 2.054 -3.825 535 3HE MET 65 HE1 MET 65 16.450 0.812 -5.076 536 H VAL 66 HN VAL 66 12.463 1.308 1.270 537 HA VAL 66 HA VAL 66 10.616 -0.869 0.574 538 HB VAL 66 HB VAL 66 9.238 -0.075 2.482 539 1HG1 VAL 66 HG12 VAL 66 10.867 -1.886 2.763 540 2HG1 VAL 66 HG13 VAL 66 12.115 -0.707 3.160 541 3HG1 VAL 66 HG11 VAL 66 10.735 -0.915 4.231 542 1HG2 VAL 66 HG21 VAL 66 11.494 1.900 2.772 543 2HG2 VAL 66 HG22 VAL 66 9.761 2.211 2.719 544 3HG2 VAL 66 HG23 VAL 66 10.480 1.437 4.133 545 H TYR 67 HN TYR 67 8.432 -0.402 0.114 546 HA TYR 67 HA TYR 67 8.005 1.637 -1.833 547 1HB TYR 67 HB2 TYR 67 6.325 -0.478 -0.523 548 2HB TYR 67 HB3 TYR 67 5.511 0.827 -1.361 549 HD1 TYR 67 HD2 TYR 67 7.075 1.252 -3.769 550 HD2 TYR 67 HD1 TYR 67 6.015 -2.377 -1.806 551 HE1 TYR 67 HE2 TYR 67 7.216 0.058 -5.907 552 HE2 TYR 67 HE1 TYR 67 6.143 -3.585 -3.945 553 HH TYR 67 HH TYR 67 7.370 -2.038 -6.857 554 H CYS 68 HN CYS 68 7.251 3.648 -1.552 555 HA CYS 68 HA CYS 68 5.706 4.330 0.842 556 1HB CYS 68 HB2 CYS 68 8.100 4.936 1.273 557 2HB CYS 68 HB3 CYS 68 8.033 6.027 -0.102 558 HG CYS 68 HG CYS 68 6.689 6.498 2.642 559 H LEU 69 HN LEU 69 4.760 6.565 0.613 560 HA LEU 69 HA LEU 69 3.741 6.807 -2.126 561 1HB LEU 69 HB2 LEU 69 2.361 6.557 0.180 562 2HB LEU 69 HB3 LEU 69 2.406 8.304 0.039 563 HG LEU 69 HG LEU 69 1.440 8.078 -2.256 564 1HD1 LEU 69 HD12 LEU 69 2.088 5.360 -1.872 565 2HD1 LEU 69 HD13 LEU 69 0.327 5.458 -1.924 566 3HD1 LEU 69 HD11 LEU 69 1.284 6.100 -3.258 567 1HD2 LEU 69 HD23 LEU 69 -0.143 6.932 0.044 568 2HD2 LEU 69 HD21 LEU 69 0.003 8.635 -0.401 569 3HD2 LEU 69 HD22 LEU 69 -0.830 7.515 -1.475 570 HA PRO 70 HA PRO 70 5.986 10.730 -2.525 571 1HB PRO 70 HB2 PRO 70 4.396 11.001 -4.997 572 2HB PRO 70 HB3 PRO 70 6.145 10.939 -4.786 573 1HG PRO 70 HG2 PRO 70 4.813 8.917 -5.874 574 2HG PRO 70 HG3 PRO 70 6.177 8.620 -4.780 575 1HD PRO 70 HD2 PRO 70 3.224 8.541 -4.181 576 2HD PRO 70 HD3 PRO 70 4.490 7.357 -3.782 577 H ALA 71 HN ALA 71 4.407 12.599 -4.195 578 HA ALA 71 HA ALA 71 3.150 14.127 -2.194 579 1HB ALA 71 HB1 ALA 71 4.074 15.002 -4.349 580 2HB ALA 71 HB2 ALA 71 2.642 14.361 -5.155 581 3HB ALA 71 HB3 ALA 71 2.477 15.619 -3.930 582 H GLU 72 HN GLU 72 0.784 14.927 -2.470 583 HA GLU 72 HA GLU 72 -0.955 12.894 -1.802 584 1HB GLU 72 HB2 GLU 72 -1.753 15.590 -2.925 585 2HB GLU 72 HB3 GLU 72 -2.690 14.562 -1.857 586 1HG GLU 72 HG2 GLU 72 -1.901 15.865 -0.226 587 2HG GLU 72 HG3 GLU 72 -0.441 14.889 -0.379 588 H LEU 73 HN LEU 73 -1.607 11.270 -3.039 589 HA LEU 73 HA LEU 73 -2.889 11.807 -5.607 590 1HB LEU 73 HB2 LEU 73 -0.386 11.106 -5.868 591 2HB LEU 73 HB3 LEU 73 -0.950 9.512 -5.418 592 HG LEU 73 HG LEU 73 -2.600 9.706 -7.362 593 1HD1 LEU 73 HD13 LEU 73 -2.287 12.191 -7.601 594 2HD1 LEU 73 HD11 LEU 73 -0.704 11.851 -8.297 595 3HD1 LEU 73 HD12 LEU 73 -2.164 11.265 -9.093 596 1HD2 LEU 73 HD23 LEU 73 0.242 9.115 -7.355 597 2HD2 LEU 73 HD21 LEU 73 -1.102 8.228 -8.074 598 3HD2 LEU 73 HD22 LEU 73 -0.355 9.559 -8.953 599 H GLY 74 HN GLY 74 -4.900 11.166 -5.019 600 1HA GLY 74 HA1 GLY 74 -5.215 8.405 -3.988 601 2HA GLY 74 HA2 GLY 74 -6.080 9.742 -3.252 602 H VAL 75 HN VAL 75 -7.697 10.838 -4.508 603 HA VAL 75 HA VAL 75 -9.111 9.032 -6.304 604 HB VAL 75 HB VAL 75 -10.081 11.773 -5.519 605 1HG1 VAL 75 HG23 VAL 75 -11.337 10.513 -7.228 606 2HG1 VAL 75 HG21 VAL 75 -11.548 9.191 -6.078 607 3HG1 VAL 75 HG22 VAL 75 -12.275 10.764 -5.758 608 1HG2 VAL 75 HG12 VAL 75 -10.053 9.286 -3.834 609 2HG2 VAL 75 HG13 VAL 75 -9.559 10.920 -3.396 610 3HG2 VAL 75 HG11 VAL 75 -11.267 10.543 -3.614 611 HA PRO 76 HA PRO 76 -7.483 11.186 -9.889 612 1HB PRO 76 HB2 PRO 76 -8.916 9.916 -11.801 613 2HB PRO 76 HB3 PRO 76 -7.605 9.128 -10.918 614 1HG PRO 76 HG2 PRO 76 -10.565 8.949 -10.472 615 2HG PRO 76 HG3 PRO 76 -9.357 7.650 -10.490 616 1HD PRO 76 HD2 PRO 76 -10.320 8.747 -8.191 617 2HD PRO 76 HD3 PRO 76 -8.683 8.071 -8.330 618 H THR 77 HN THR 77 -8.663 13.115 -8.888 619 HA THR 77 HA THR 77 -10.229 14.387 -10.896 620 HB THR 77 HB THR 77 -12.076 13.108 -9.944 621 HG1 THR 77 HG1 THR 77 -12.659 15.201 -10.452 622 1HG2 THR 77 HG21 THR 77 -11.036 12.701 -7.673 623 2HG2 THR 77 HG23 THR 77 -11.611 14.305 -7.227 624 3HG2 THR 77 HG22 THR 77 -12.760 13.055 -7.699 625 H THR 78 HN THR 78 -9.570 16.440 -10.835 626 HA THR 78 HA THR 78 -9.404 17.980 -8.448 627 HB THR 78 HB THR 78 -7.304 16.671 -8.212 628 HG1 THR 78 HG1 THR 78 -7.497 18.913 -7.512 629 1HG2 THR 78 HG22 THR 78 -6.891 16.580 -10.754 630 2HG2 THR 78 HG21 THR 78 -6.115 18.142 -10.515 631 3HG2 THR 78 HG23 THR 78 -5.520 16.722 -9.657 No H/Q in entry = 631 Start of MODEL 3 1 1H MET 1 HT1 MET 1 -26.366 -1.292 9.256 2 2H MET 1 HT3 MET 1 -27.503 -2.322 8.480 3 3H MET 1 HT2 MET 1 -27.506 -2.173 10.194 4 HA MET 1 HA MET 1 -26.518 -4.192 9.685 5 1HB MET 1 HB2 MET 1 -24.827 -2.544 7.780 6 2HB MET 1 HB3 MET 1 -24.482 -4.216 8.183 7 1HG MET 1 HG2 MET 1 -25.824 -4.878 6.559 8 2HG MET 1 HG3 MET 1 -27.185 -4.128 7.385 9 1HE MET 1 HE1 MET 1 -24.049 -3.344 5.589 10 2HE MET 1 HE2 MET 1 -24.556 -2.604 4.076 11 3HE MET 1 HE3 MET 1 -24.276 -1.600 5.500 12 H ARG 2 HN ARG 2 -24.166 -4.866 10.308 13 HA ARG 2 HA ARG 2 -23.442 -3.409 12.683 14 1HB ARG 2 HB2 ARG 2 -22.331 -5.882 11.354 15 2HB ARG 2 HB3 ARG 2 -21.615 -5.189 12.804 16 1HG ARG 2 HG2 ARG 2 -23.863 -5.439 13.907 17 2HG ARG 2 HG3 ARG 2 -24.369 -6.353 12.483 18 1HD ARG 2 HD2 ARG 2 -23.648 -7.880 14.220 19 2HD ARG 2 HD3 ARG 2 -22.526 -7.938 12.860 20 HE ARG 2 HE ARG 2 -21.817 -6.146 15.050 21 1HH1 ARG 2 HH12 ARG 2 -21.369 -9.303 13.598 22 2HH1 ARG 2 HH11 ARG 2 -19.871 -9.612 14.436 23 1HH2 ARG 2 HH22 ARG 2 -19.888 -6.526 16.128 24 2HH2 ARG 2 HH21 ARG 2 -19.018 -8.021 15.882 25 H SER 3 HN SER 3 -20.907 -4.690 10.731 26 HA SER 3 HA SER 3 -19.547 -2.119 10.656 27 1HB SER 3 HB2 SER 3 -18.504 -4.721 9.514 28 2HB SER 3 HB3 SER 3 -17.583 -3.319 10.063 29 HG SER 3 HG SER 3 -17.403 -4.606 11.768 30 H SER 4 HN SER 4 -20.167 -0.779 9.039 31 HA SER 4 HA SER 4 -21.336 -1.636 6.590 32 1HB SER 4 HB2 SER 4 -20.117 1.054 7.292 33 2HB SER 4 HB3 SER 4 -21.191 0.730 5.931 34 HG SER 4 HG SER 4 -22.311 1.606 7.739 35 H ALA 5 HN ALA 5 -20.216 -2.804 5.200 36 HA ALA 5 HA ALA 5 -17.367 -2.659 4.980 37 1HB ALA 5 HB1 ALA 5 -18.531 -4.787 4.893 38 2HB ALA 5 HB2 ALA 5 -19.369 -4.293 3.421 39 3HB ALA 5 HB3 ALA 5 -17.619 -4.519 3.408 40 H LYS 6 HN LYS 6 -17.344 -0.338 4.213 41 HA LYS 6 HA LYS 6 -17.799 -0.033 1.337 42 1HB LYS 6 HB2 LYS 6 -16.684 2.293 1.929 43 2HB LYS 6 HB3 LYS 6 -18.378 1.980 2.247 44 1HG LYS 6 HG2 LYS 6 -18.060 1.763 4.537 45 2HG LYS 6 HG3 LYS 6 -16.321 1.521 4.371 46 1HD LYS 6 HD2 LYS 6 -15.937 3.710 4.552 47 2HD LYS 6 HD3 LYS 6 -17.059 4.061 3.237 48 1HE LYS 6 HE2 LYS 6 -18.065 3.468 6.005 49 2HE LYS 6 HE3 LYS 6 -17.500 5.079 5.581 50 1HZ LYS 6 HZ3 LYS 6 -19.572 3.676 3.983 51 2HZ LYS 6 HZ2 LYS 6 -19.961 4.635 5.336 52 3HZ LYS 6 HZ1 LYS 6 -19.181 5.338 3.995 53 H GLN 7 HN GLN 7 -16.091 -0.196 -0.118 54 HA GLN 7 HA GLN 7 -13.676 -1.335 0.885 55 1HB GLN 7 HB2 GLN 7 -14.928 -1.672 -1.431 56 2HB GLN 7 HB3 GLN 7 -13.775 -0.446 -1.947 57 1HG GLN 7 HG2 GLN 7 -12.655 -2.433 -2.374 58 2HG GLN 7 HG3 GLN 7 -12.009 -1.918 -0.810 59 1HE2 GLN 7 HE22 GLN 7 -12.616 -5.433 -0.284 60 2HE2 GLN 7 HE21 GLN 7 -11.491 -4.378 -1.061 61 H GLU 8 HN GLU 8 -14.376 1.637 1.352 62 HA GLU 8 HA GLU 8 -12.044 3.019 0.315 63 1HB GLU 8 HB2 GLU 8 -13.878 4.020 2.496 64 2HB GLU 8 HB3 GLU 8 -12.906 4.958 1.373 65 1HG GLU 8 HG2 GLU 8 -14.768 3.361 -0.118 66 2HG GLU 8 HG3 GLU 8 -15.632 4.207 1.158 67 H GLU 9 HN GLU 9 -12.435 0.729 2.610 68 HA GLU 9 HA GLU 9 -10.773 1.872 4.724 69 1HB GLU 9 HB2 GLU 9 -12.053 -0.850 4.380 70 2HB GLU 9 HB3 GLU 9 -11.017 -0.434 5.737 71 1HG GLU 9 HG2 GLU 9 -12.576 1.298 6.426 72 2HG GLU 9 HG3 GLU 9 -13.604 0.952 5.036 73 H LEU 10 HN LEU 10 -10.648 -0.694 2.289 74 HA LEU 10 HA LEU 10 -7.996 -1.551 2.707 75 1HB LEU 10 HB2 LEU 10 -9.492 -2.889 1.412 76 2HB LEU 10 HB3 LEU 10 -9.811 -1.582 0.288 77 HG LEU 10 HG LEU 10 -7.398 -1.777 -0.463 78 1HD1 LEU 10 HD11 LEU 10 -7.535 -4.153 1.362 79 2HD1 LEU 10 HD12 LEU 10 -6.405 -4.067 0.013 80 3HD1 LEU 10 HD13 LEU 10 -6.326 -2.871 1.305 81 1HD2 LEU 10 HD23 LEU 10 -9.238 -2.699 -1.766 82 2HD2 LEU 10 HD21 LEU 10 -7.811 -3.729 -1.859 83 3HD2 LEU 10 HD22 LEU 10 -9.166 -4.193 -0.830 84 H VAL 11 HN VAL 11 -9.383 1.109 0.886 85 HA VAL 11 HA VAL 11 -6.996 1.907 -0.481 86 HB VAL 11 HB VAL 11 -9.530 3.458 0.137 87 1HG1 VAL 11 HG12 VAL 11 -7.031 4.274 -1.150 88 2HG1 VAL 11 HG13 VAL 11 -8.477 4.596 -2.111 89 3HG1 VAL 11 HG11 VAL 11 -8.339 5.250 -0.478 90 1HG2 VAL 11 HG22 VAL 11 -9.591 1.341 -1.337 91 2HG2 VAL 11 HG23 VAL 11 -10.348 2.810 -1.943 92 3HG2 VAL 11 HG21 VAL 11 -8.757 2.331 -2.530 93 H LYS 12 HN LYS 12 -8.667 3.210 2.425 94 HA LYS 12 HA LYS 12 -6.731 5.187 3.021 95 1HB LYS 12 HB2 LYS 12 -8.883 5.459 3.948 96 2HB LYS 12 HB3 LYS 12 -8.892 3.839 4.626 97 1HG LYS 12 HG2 LYS 12 -6.820 5.734 5.597 98 2HG LYS 12 HG3 LYS 12 -8.491 5.995 6.105 99 1HD LYS 12 HD2 LYS 12 -8.621 3.962 7.205 100 2HD LYS 12 HD3 LYS 12 -7.296 3.267 6.277 101 1HE LYS 12 HE2 LYS 12 -7.068 5.372 8.435 102 2HE LYS 12 HE3 LYS 12 -6.600 3.677 8.572 103 1HZ LYS 12 HZ2 LYS 12 -5.233 4.566 6.380 104 2HZ LYS 12 HZ1 LYS 12 -5.151 5.883 7.451 105 3HZ LYS 12 HZ3 LYS 12 -4.585 4.348 7.938 106 H ALA 13 HN ALA 13 -6.916 1.780 3.729 107 HA ALA 13 HA ALA 13 -4.799 1.763 5.683 108 1HB ALA 13 HB2 ALA 13 -6.515 0.018 5.694 109 2HB ALA 13 HB3 ALA 13 -5.987 -0.523 4.099 110 3HB ALA 13 HB1 ALA 13 -4.905 -0.670 5.485 111 H PHE 14 HN PHE 14 -5.095 0.830 2.245 112 HA PHE 14 HA PHE 14 -2.578 -0.058 1.675 113 1HB PHE 14 HB2 PHE 14 -4.579 0.095 0.105 114 2HB PHE 14 HB3 PHE 14 -4.096 1.743 -0.235 115 HD1 PHE 14 HD1 PHE 14 -3.151 -1.805 -0.487 116 HD2 PHE 14 HD2 PHE 14 -2.232 2.177 -1.676 117 HE1 PHE 14 HE1 PHE 14 -1.600 -2.671 -2.176 118 HE2 PHE 14 HE2 PHE 14 -0.676 1.303 -3.376 119 HZ PHE 14 HZ PHE 14 -0.380 -1.122 -3.617 120 H LYS 15 HN LYS 15 -3.597 3.368 1.486 121 HA LYS 15 HA LYS 15 -1.089 4.393 0.765 122 1HB LYS 15 HB2 LYS 15 -3.558 5.604 1.902 123 2HB LYS 15 HB3 LYS 15 -2.068 6.540 2.007 124 1HG LYS 15 HG2 LYS 15 -2.246 7.150 -0.112 125 2HG LYS 15 HG3 LYS 15 -2.275 5.466 -0.627 126 1HD LYS 15 HD2 LYS 15 -4.246 6.544 -1.440 127 2HD LYS 15 HD3 LYS 15 -4.679 5.377 -0.198 128 1HE LYS 15 HE2 LYS 15 -5.655 7.910 -0.293 129 2HE LYS 15 HE3 LYS 15 -5.502 6.960 1.186 130 1HZ LYS 15 HZ1 LYS 15 -3.167 8.512 0.412 131 2HZ LYS 15 HZ3 LYS 15 -4.525 9.403 0.907 132 3HZ LYS 15 HZ2 LYS 15 -3.834 8.245 1.950 133 H ALA 16 HN ALA 16 -2.471 3.750 3.958 134 HA ALA 16 HA ALA 16 -0.442 5.044 5.471 135 1HB ALA 16 HB3 ALA 16 -2.752 4.461 6.281 136 2HB ALA 16 HB1 ALA 16 -2.198 2.795 6.440 137 3HB ALA 16 HB2 ALA 16 -1.439 4.072 7.390 138 H LEU 17 HN LEU 17 -0.910 1.694 4.410 139 HA LEU 17 HA LEU 17 1.213 0.487 5.785 140 1HB LEU 17 HB2 LEU 17 0.039 -0.190 3.077 141 2HB LEU 17 HB3 LEU 17 1.156 -1.219 3.946 142 HG LEU 17 HG LEU 17 -1.725 -0.677 4.470 143 1HD1 LEU 17 HD12 LEU 17 0.057 -3.100 4.478 144 2HD1 LEU 17 HD13 LEU 17 -1.628 -3.130 4.995 145 3HD1 LEU 17 HD11 LEU 17 -1.224 -2.693 3.335 146 1HD2 LEU 17 HD23 LEU 17 0.270 -1.372 6.610 147 2HD2 LEU 17 HD21 LEU 17 -0.852 -0.011 6.578 148 3HD2 LEU 17 HD22 LEU 17 -1.463 -1.655 6.752 149 H LEU 18 HN LEU 18 1.155 1.966 2.552 150 HA LEU 18 HA LEU 18 3.904 1.523 1.963 151 1HB LEU 18 HB2 LEU 18 2.043 3.640 0.880 152 2HB LEU 18 HB3 LEU 18 3.583 3.182 0.183 153 HG LEU 18 HG LEU 18 1.256 1.282 0.444 154 1HD1 LEU 18 HD13 LEU 18 0.660 3.210 -0.943 155 2HD1 LEU 18 HD11 LEU 18 2.096 2.934 -1.928 156 3HD1 LEU 18 HD12 LEU 18 0.812 1.733 -1.894 157 1HD2 LEU 18 HD22 LEU 18 3.512 0.267 0.229 158 2HD2 LEU 18 HD23 LEU 18 2.457 -0.063 -1.148 159 3HD2 LEU 18 HD21 LEU 18 3.720 1.161 -1.284 160 H LYS 19 HN LYS 19 2.184 4.498 2.942 161 HA LYS 19 HA LYS 19 4.374 6.179 3.094 162 1HB LYS 19 HB2 LYS 19 1.775 6.275 4.626 163 2HB LYS 19 HB3 LYS 19 2.942 7.593 4.589 164 1HG LYS 19 HG2 LYS 19 2.635 7.934 2.258 165 2HG LYS 19 HG3 LYS 19 1.724 6.426 2.091 166 1HD LYS 19 HD2 LYS 19 0.043 8.024 2.094 167 2HD LYS 19 HD3 LYS 19 0.072 7.493 3.774 168 1HE LYS 19 HE2 LYS 19 0.156 9.686 4.248 169 2HE LYS 19 HE3 LYS 19 1.865 9.542 3.844 170 1HZ LYS 19 HZ1 LYS 19 -0.072 10.129 1.705 171 2HZ LYS 19 HZ3 LYS 19 0.422 11.374 2.752 172 3HZ LYS 19 HZ2 LYS 19 1.577 10.541 1.822 173 H GLU 20 HN GLU 20 3.464 3.720 5.377 174 HA GLU 20 HA GLU 20 4.902 4.757 7.634 175 1HB GLU 20 HB2 GLU 20 3.620 2.144 6.936 176 2HB GLU 20 HB3 GLU 20 4.777 2.172 8.257 177 1HG GLU 20 HG2 GLU 20 2.535 4.148 8.188 178 2HG GLU 20 HG3 GLU 20 2.249 2.498 8.735 179 H GLU 21 HN GLU 21 5.833 3.094 4.752 180 HA GLU 21 HA GLU 21 7.796 2.319 3.931 181 1HB GLU 21 HB2 GLU 21 9.095 3.906 6.159 182 2HB GLU 21 HB3 GLU 21 9.850 3.372 4.666 183 1HG GLU 21 HG2 GLU 21 8.908 4.996 3.411 184 2HG GLU 21 HG3 GLU 21 7.442 5.067 4.383 185 H LYS 22 HN LYS 22 6.779 0.317 4.969 186 HA LYS 22 HA LYS 22 8.727 -0.969 6.786 187 1HB LYS 22 HB2 LYS 22 6.772 -0.513 8.092 188 2HB LYS 22 HB3 LYS 22 5.703 -1.056 6.812 189 1HG LYS 22 HG2 LYS 22 6.393 -3.352 7.157 190 2HG LYS 22 HG3 LYS 22 7.535 -2.841 8.401 191 1HD LYS 22 HD2 LYS 22 5.328 -1.738 9.414 192 2HD LYS 22 HD3 LYS 22 4.564 -3.022 8.476 193 1HE LYS 22 HE2 LYS 22 4.902 -3.872 10.654 194 2HE LYS 22 HE3 LYS 22 6.089 -4.650 9.611 195 1HZ LYS 22 HZ3 LYS 22 6.974 -2.200 10.913 196 2HZ LYS 22 HZ2 LYS 22 6.668 -3.512 11.952 197 3HZ LYS 22 HZ1 LYS 22 7.798 -3.675 10.687 198 H PHE 23 HN PHE 23 6.469 -1.319 4.117 199 HA PHE 23 HA PHE 23 7.195 -4.115 3.696 200 1HB PHE 23 HB2 PHE 23 5.203 -2.393 2.213 201 2HB PHE 23 HB3 PHE 23 5.336 -4.155 2.148 202 HD1 PHE 23 HD2 PHE 23 5.238 -5.354 4.481 203 HD2 PHE 23 HD1 PHE 23 3.696 -1.453 3.752 204 HE1 PHE 23 HE2 PHE 23 3.823 -5.544 6.478 205 HE2 PHE 23 HE1 PHE 23 2.277 -1.643 5.753 206 HZ PHE 23 HZ PHE 23 2.331 -3.690 7.113 207 H SER 24 HN SER 24 8.561 -4.785 2.213 208 HA SER 24 HA SER 24 9.792 -2.845 0.426 209 1HB SER 24 HB2 SER 24 11.054 -5.457 0.389 210 2HB SER 24 HB3 SER 24 11.715 -3.906 0.874 211 HG SER 24 HG SER 24 10.169 -5.669 2.492 212 H SER 25 HN SER 25 7.444 -5.260 0.092 213 HA SER 25 HA SER 25 7.717 -5.136 -2.808 214 1HB SER 25 HB2 SER 25 7.392 -7.711 -2.892 215 2HB SER 25 HB3 SER 25 9.000 -7.089 -2.532 216 HG SER 25 HG SER 25 8.457 -7.399 -0.266 217 H GLN 26 HN GLN 26 5.865 -6.314 -3.891 218 HA GLN 26 HA GLN 26 3.384 -5.260 -3.042 219 1HB GLN 26 HB2 GLN 26 3.469 -7.656 -4.837 220 2HB GLN 26 HB3 GLN 26 2.502 -6.221 -4.941 221 1HG GLN 26 HG2 GLN 26 4.464 -4.938 -5.669 222 2HG GLN 26 HG3 GLN 26 5.415 -6.423 -5.640 223 1HE2 GLN 26 HE22 GLN 26 3.917 -5.585 -9.054 224 2HE2 GLN 26 HE21 GLN 26 4.664 -4.577 -7.862 225 H GLY 27 HN GLY 27 4.328 -8.690 -3.268 226 1HA GLY 27 HA1 GLY 27 2.269 -9.874 -1.873 227 2HA GLY 27 HA2 GLY 27 3.897 -10.513 -1.921 228 H GLU 28 HN GLU 28 4.916 -8.073 -0.476 229 HA GLU 28 HA GLU 28 4.761 -9.027 2.185 230 1HB GLU 28 HB2 GLU 28 6.431 -7.387 0.780 231 2HB GLU 28 HB3 GLU 28 5.553 -6.210 1.720 232 1HG GLU 28 HG2 GLU 28 6.316 -7.113 3.759 233 2HG GLU 28 HG3 GLU 28 6.870 -8.593 2.983 234 H ILE 29 HN ILE 29 3.320 -6.201 0.540 235 HA ILE 29 HA ILE 29 1.779 -5.466 2.863 236 HB ILE 29 HB ILE 29 1.934 -3.483 1.955 237 1HG1 ILE 29 HG12 ILE 29 0.127 -4.432 -0.271 238 2HG1 ILE 29 HG13 ILE 29 -0.392 -3.778 1.285 239 1HG2 ILE 29 HG23 ILE 29 3.779 -4.244 0.563 240 2HG2 ILE 29 HG21 ILE 29 2.644 -4.687 -0.710 241 3HG2 ILE 29 HG22 ILE 29 2.834 -3.001 -0.248 242 1HD1 ILE 29 HD12 ILE 29 1.280 -1.818 0.355 243 2HD1 ILE 29 HD13 ILE 29 0.504 -2.403 -1.120 244 3HD1 ILE 29 HD11 ILE 29 -0.479 -1.822 0.226 245 H VAL 30 HN VAL 30 1.323 -7.624 0.245 246 HA VAL 30 HA VAL 30 -1.528 -7.703 0.130 247 HB VAL 30 HB VAL 30 0.506 -9.883 -0.441 248 1HG1 VAL 30 HG11 VAL 30 -2.463 -9.880 -0.578 249 2HG1 VAL 30 HG12 VAL 30 -1.560 -10.747 -1.818 250 3HG1 VAL 30 HG13 VAL 30 -1.352 -11.170 -0.120 251 1HG2 VAL 30 HG21 VAL 30 0.376 -7.749 -1.897 252 2HG2 VAL 30 HG22 VAL 30 0.394 -9.319 -2.685 253 3HG2 VAL 30 HG23 VAL 30 -1.122 -8.449 -2.497 254 H ALA 31 HN ALA 31 0.873 -9.678 1.875 255 HA ALA 31 HA ALA 31 -0.931 -11.172 3.453 256 1HB ALA 31 HB3 ALA 31 1.973 -10.466 3.866 257 2HB ALA 31 HB1 ALA 31 1.075 -11.542 4.938 258 3HB ALA 31 HB2 ALA 31 1.296 -11.971 3.240 259 H ALA 32 HN ALA 32 0.706 -8.069 4.001 260 HA ALA 32 HA ALA 32 0.046 -7.604 6.655 261 1HB ALA 32 HB1 ALA 32 1.560 -6.218 5.198 262 2HB ALA 32 HB2 ALA 32 0.116 -5.460 4.535 263 3HB ALA 32 HB3 ALA 32 0.484 -5.300 6.250 264 H LEU 33 HN LEU 33 -1.857 -6.644 3.764 265 HA LEU 33 HA LEU 33 -3.992 -5.517 5.249 266 1HB LEU 33 HB2 LEU 33 -4.034 -6.569 2.422 267 2HB LEU 33 HB3 LEU 33 -5.266 -5.549 3.157 268 HG LEU 33 HG LEU 33 -2.437 -4.568 3.068 269 1HD1 LEU 33 HD13 LEU 33 -3.075 -5.429 0.782 270 2HD1 LEU 33 HD11 LEU 33 -4.330 -4.191 0.769 271 3HD1 LEU 33 HD12 LEU 33 -2.634 -3.724 0.877 272 1HD2 LEU 33 HD22 LEU 33 -5.177 -3.353 3.167 273 2HD2 LEU 33 HD23 LEU 33 -3.822 -3.139 4.277 274 3HD2 LEU 33 HD21 LEU 33 -3.772 -2.410 2.672 275 H GLN 34 HN GLN 34 -3.384 -8.820 4.130 276 HA GLN 34 HA GLN 34 -5.972 -9.859 4.564 277 1HB GLN 34 HB2 GLN 34 -3.241 -11.128 4.586 278 2HB GLN 34 HB3 GLN 34 -4.673 -12.069 4.975 279 1HG GLN 34 HG2 GLN 34 -5.620 -11.574 2.790 280 2HG GLN 34 HG3 GLN 34 -4.226 -10.568 2.396 281 1HE2 GLN 34 HE22 GLN 34 -3.054 -13.432 0.750 282 2HE2 GLN 34 HE21 GLN 34 -3.786 -11.877 0.582 283 H GLU 35 HN GLU 35 -3.268 -9.326 6.780 284 HA GLU 35 HA GLU 35 -4.594 -10.543 9.049 285 1HB GLU 35 HB2 GLU 35 -2.226 -8.670 9.145 286 2HB GLU 35 HB3 GLU 35 -2.683 -9.896 10.318 287 1HG GLU 35 HG2 GLU 35 -2.349 -11.335 7.983 288 2HG GLU 35 HG3 GLU 35 -1.079 -10.116 7.896 289 H GLN 36 HN GLN 36 -4.384 -7.351 7.648 290 HA GLN 36 HA GLN 36 -5.154 -5.776 9.860 291 1HB GLN 36 HB2 GLN 36 -5.360 -5.376 6.887 292 2HB GLN 36 HB3 GLN 36 -5.973 -4.180 8.005 293 1HG GLN 36 HG2 GLN 36 -3.174 -5.157 8.323 294 2HG GLN 36 HG3 GLN 36 -3.538 -4.028 7.020 295 1HE2 GLN 36 HE22 GLN 36 -3.628 -1.247 9.101 296 2HE2 GLN 36 HE21 GLN 36 -3.700 -1.907 7.502 297 H GLY 37 HN GLY 37 -7.138 -7.065 7.182 298 1HA GLY 37 HA1 GLY 37 -9.289 -8.020 8.486 299 2HA GLY 37 HA2 GLY 37 -9.591 -6.292 8.538 300 H PHE 38 HN PHE 38 -7.974 -7.732 5.792 301 HA PHE 38 HA PHE 38 -10.444 -7.385 4.201 302 1HB PHE 38 HB2 PHE 38 -7.648 -6.911 3.169 303 2HB PHE 38 HB3 PHE 38 -9.174 -6.511 2.388 304 HD1 PHE 38 HD1 PHE 38 -10.550 -4.655 3.278 305 HD2 PHE 38 HD2 PHE 38 -6.667 -5.478 4.799 306 HE1 PHE 38 HE1 PHE 38 -10.473 -2.428 4.304 307 HE2 PHE 38 HE2 PHE 38 -6.582 -3.256 5.824 308 HZ PHE 38 HZ PHE 38 -8.482 -1.724 5.573 309 H ASP 39 HN ASP 39 -11.170 -9.318 3.682 310 HA ASP 39 HA ASP 39 -9.334 -11.556 3.310 311 1HB ASP 39 HB2 ASP 39 -11.680 -12.795 3.105 312 2HB ASP 39 HB3 ASP 39 -10.989 -12.377 4.661 313 H ASN 40 HN ASN 40 -10.543 -9.351 1.330 314 HA ASN 40 HA ASN 40 -10.618 -11.155 -0.985 315 1HB ASN 40 HB2 ASN 40 -12.783 -9.869 -0.430 316 2HB ASN 40 HB3 ASN 40 -11.925 -8.430 -0.961 317 1HD2 ASN 40 HD22 ASN 40 -13.159 -11.240 -3.649 318 2HD2 ASN 40 HD21 ASN 40 -13.100 -11.587 -1.959 319 H ILE 41 HN ILE 41 -8.222 -10.820 -0.557 320 HA ILE 41 HA ILE 41 -7.251 -8.580 -2.201 321 HB ILE 41 HB ILE 41 -6.725 -9.033 0.659 322 1HG1 ILE 41 HG12 ILE 41 -7.656 -6.964 -0.583 323 2HG1 ILE 41 HG13 ILE 41 -6.495 -6.702 0.715 324 1HG2 ILE 41 HG23 ILE 41 -4.362 -8.527 -1.146 325 2HG2 ILE 41 HG21 ILE 41 -4.380 -8.220 0.587 326 3HG2 ILE 41 HG22 ILE 41 -4.588 -9.862 -0.012 327 1HD1 ILE 41 HD13 ILE 41 -5.273 -7.005 -1.920 328 2HD1 ILE 41 HD11 ILE 41 -6.346 -5.613 -1.766 329 3HD1 ILE 41 HD12 ILE 41 -4.987 -5.809 -0.659 330 H ASN 42 HN ASN 42 -5.369 -8.962 -3.336 331 HA ASN 42 HA ASN 42 -3.850 -11.370 -2.989 332 1HB ASN 42 HB2 ASN 42 -4.151 -12.266 -5.257 333 2HB ASN 42 HB3 ASN 42 -5.658 -12.281 -4.359 334 1HD2 ASN 42 HD22 ASN 42 -6.759 -11.183 -7.571 335 2HD2 ASN 42 HD21 ASN 42 -6.351 -12.603 -6.673 336 H GLN 43 HN GLN 43 -2.192 -11.487 -4.969 337 HA GLN 43 HA GLN 43 -0.517 -9.271 -4.713 338 1HB GLN 43 HB2 GLN 43 0.118 -11.620 -5.422 339 2HB GLN 43 HB3 GLN 43 -0.445 -11.204 -7.036 340 1HG GLN 43 HG2 GLN 43 1.239 -9.539 -7.285 341 2HG GLN 43 HG3 GLN 43 1.685 -9.647 -5.584 342 1HE2 GLN 43 HE22 GLN 43 2.834 -12.660 -8.117 343 2HE2 GLN 43 HE21 GLN 43 1.372 -11.785 -8.407 344 H SER 44 HN SER 44 -2.857 -10.016 -7.264 345 HA SER 44 HA SER 44 -2.132 -7.955 -9.037 346 1HB SER 44 HB2 SER 44 -4.827 -9.309 -8.705 347 2HB SER 44 HB3 SER 44 -4.267 -8.428 -10.122 348 HG SER 44 HG SER 44 -2.408 -10.092 -9.907 349 H LYS 45 HN LYS 45 -4.478 -8.059 -6.378 350 HA LYS 45 HA LYS 45 -5.653 -5.519 -6.783 351 1HB LYS 45 HB2 LYS 45 -6.034 -7.602 -5.016 352 2HB LYS 45 HB3 LYS 45 -5.369 -6.364 -3.970 353 1HG LYS 45 HG2 LYS 45 -7.564 -5.850 -3.772 354 2HG LYS 45 HG3 LYS 45 -7.199 -4.875 -5.193 355 1HD LYS 45 HD2 LYS 45 -8.174 -6.460 -6.658 356 2HD LYS 45 HD3 LYS 45 -8.201 -7.713 -5.417 357 1HE LYS 45 HE2 LYS 45 -10.374 -7.128 -5.219 358 2HE LYS 45 HE3 LYS 45 -9.726 -5.826 -4.223 359 1HZ LYS 45 HZ1 LYS 45 -10.064 -5.465 -7.136 360 2HZ LYS 45 HZ3 LYS 45 -11.371 -5.243 -6.071 361 3HZ LYS 45 HZ2 LYS 45 -9.974 -4.280 -5.910 362 H VAL 46 HN VAL 46 -2.796 -6.548 -4.998 363 HA VAL 46 HA VAL 46 -2.210 -4.002 -3.835 364 HB VAL 46 HB VAL 46 -0.699 -6.591 -4.016 365 1HG1 VAL 46 HG11 VAL 46 0.285 -3.935 -3.035 366 2HG1 VAL 46 HG12 VAL 46 0.844 -5.429 -2.293 367 3HG1 VAL 46 HG13 VAL 46 1.127 -5.145 -4.006 368 1HG2 VAL 46 HG21 VAL 46 -2.212 -5.065 -1.928 369 2HG2 VAL 46 HG22 VAL 46 -2.364 -6.754 -2.402 370 3HG2 VAL 46 HG23 VAL 46 -0.978 -6.222 -1.454 371 H SER 47 HN SER 47 -0.817 -5.807 -6.604 372 HA SER 47 HA SER 47 1.076 -3.828 -7.320 373 1HB SER 47 HB2 SER 47 0.945 -4.964 -9.618 374 2HB SER 47 HB3 SER 47 1.426 -5.967 -8.253 375 HG SER 47 HG SER 47 -0.455 -7.010 -8.310 376 H ARG 48 HN ARG 48 -2.330 -4.238 -8.098 377 HA ARG 48 HA ARG 48 -2.489 -2.285 -10.154 378 1HB ARG 48 HB2 ARG 48 -4.484 -3.651 -8.381 379 2HB ARG 48 HB3 ARG 48 -4.994 -2.263 -9.332 380 1HG ARG 48 HG2 ARG 48 -3.544 -4.520 -10.650 381 2HG ARG 48 HG3 ARG 48 -5.262 -4.656 -10.295 382 1HD ARG 48 HD2 ARG 48 -3.953 -2.492 -11.934 383 2HD ARG 48 HD3 ARG 48 -4.887 -3.837 -12.572 384 HE ARG 48 HE ARG 48 -5.898 -1.425 -11.312 385 1HH1 ARG 48 HH12 ARG 48 -6.622 -4.714 -12.296 386 2HH1 ARG 48 HH11 ARG 48 -8.346 -4.447 -12.348 387 1HH2 ARG 48 HH22 ARG 48 -8.173 -1.084 -11.374 388 2HH2 ARG 48 HH21 ARG 48 -9.213 -2.406 -11.819 389 H MET 49 HN MET 49 -3.213 -2.124 -6.666 390 HA MET 49 HA MET 49 -3.864 0.625 -6.647 391 1HB MET 49 HB2 MET 49 -3.120 -1.338 -4.499 392 2HB MET 49 HB3 MET 49 -3.341 0.362 -4.120 393 1HG MET 49 HG2 MET 49 -5.618 0.227 -5.118 394 2HG MET 49 HG3 MET 49 -5.381 -1.509 -5.289 395 1HE MET 49 HE1 MET 49 -4.271 -2.788 -3.036 396 2HE MET 49 HE2 MET 49 -5.448 -2.860 -1.727 397 3HE MET 49 HE3 MET 49 -5.947 -3.215 -3.380 398 H LEU 50 HN LEU 50 -0.760 -1.061 -6.285 399 HA LEU 50 HA LEU 50 0.771 1.162 -5.402 400 1HB LEU 50 HB2 LEU 50 1.414 -1.463 -6.683 401 2HB LEU 50 HB3 LEU 50 2.654 -0.224 -6.710 402 HG LEU 50 HG LEU 50 1.421 -0.676 -4.068 403 1HD1 LEU 50 HD12 LEU 50 1.601 -2.988 -5.145 404 2HD1 LEU 50 HD13 LEU 50 3.342 -2.748 -5.062 405 3HD1 LEU 50 HD11 LEU 50 2.380 -2.753 -3.583 406 1HD2 LEU 50 HD21 LEU 50 4.095 -0.068 -5.176 407 2HD2 LEU 50 HD22 LEU 50 3.196 0.693 -3.861 408 3HD2 LEU 50 HD23 LEU 50 3.993 -0.852 -3.602 409 H THR 51 HN THR 51 0.090 -0.095 -8.653 410 HA THR 51 HA THR 51 1.557 1.919 -10.041 411 HB THR 51 HB THR 51 -0.721 0.312 -11.215 412 HG1 THR 51 HG1 THR 51 0.527 -1.204 -10.170 413 1HG2 THR 51 HG23 THR 51 1.891 1.250 -12.382 414 2HG2 THR 51 HG22 THR 51 0.682 0.265 -13.208 415 3HG2 THR 51 HG21 THR 51 0.294 1.916 -12.726 416 H LYS 52 HN LYS 52 -1.781 1.607 -8.975 417 HA LYS 52 HA LYS 52 -2.840 3.821 -10.416 418 1HB LYS 52 HB2 LYS 52 -4.257 2.018 -9.549 419 2HB LYS 52 HB3 LYS 52 -3.848 2.467 -7.901 420 1HG LYS 52 HG2 LYS 52 -4.948 4.688 -9.444 421 2HG LYS 52 HG3 LYS 52 -6.046 3.313 -9.319 422 1HD LYS 52 HD2 LYS 52 -6.063 3.396 -6.968 423 2HD LYS 52 HD3 LYS 52 -4.643 4.435 -6.904 424 1HE LYS 52 HE2 LYS 52 -6.731 5.640 -6.386 425 2HE LYS 52 HE3 LYS 52 -5.907 6.295 -7.800 426 1HZ LYS 52 HZ3 LYS 52 -8.128 4.333 -8.003 427 2HZ LYS 52 HZ2 LYS 52 -8.383 6.018 -7.996 428 3HZ LYS 52 HZ1 LYS 52 -7.466 5.302 -9.241 429 H PHE 53 HN PHE 53 -2.010 3.472 -6.943 430 HA PHE 53 HA PHE 53 -2.384 6.242 -6.379 431 1HB PHE 53 HB2 PHE 53 -1.126 3.989 -4.795 432 2HB PHE 53 HB3 PHE 53 -1.251 5.630 -4.173 433 HD1 PHE 53 HD2 PHE 53 -3.802 6.608 -4.661 434 HD2 PHE 53 HD1 PHE 53 -2.681 2.561 -3.974 435 HE1 PHE 53 HE2 PHE 53 -6.083 6.107 -3.900 436 HE2 PHE 53 HE1 PHE 53 -4.950 2.052 -3.208 437 HZ PHE 53 HZ PHE 53 -6.664 3.818 -3.179 438 H GLY 54 HN GLY 54 0.304 4.465 -7.637 439 1HA GLY 54 HA1 GLY 54 2.281 5.277 -8.518 440 2HA GLY 54 HA2 GLY 54 1.805 6.891 -8.016 441 H ALA 55 HN ALA 55 2.801 3.798 -6.569 442 HA ALA 55 HA ALA 55 3.965 5.082 -4.266 443 1HB ALA 55 HB2 ALA 55 2.863 2.843 -4.200 444 2HB ALA 55 HB3 ALA 55 4.240 2.197 -5.094 445 3HB ALA 55 HB1 ALA 55 4.474 2.883 -3.486 446 H VAL 56 HN VAL 56 6.138 5.149 -3.689 447 HA VAL 56 HA VAL 56 8.082 4.821 -5.894 448 HB VAL 56 HB VAL 56 9.405 6.629 -4.778 449 1HG1 VAL 56 HG13 VAL 56 6.883 6.930 -6.238 450 2HG1 VAL 56 HG11 VAL 56 7.388 8.381 -5.367 451 3HG1 VAL 56 HG12 VAL 56 8.469 7.635 -6.547 452 1HG2 VAL 56 HG21 VAL 56 7.485 6.342 -2.724 453 2HG2 VAL 56 HG22 VAL 56 8.832 7.472 -2.801 454 3HG2 VAL 56 HG23 VAL 56 7.252 7.940 -3.423 455 H ARG 57 HN ARG 57 9.975 3.746 -5.478 456 HA ARG 57 HA ARG 57 10.166 2.308 -2.925 457 1HB ARG 57 HB2 ARG 57 11.432 1.941 -5.634 458 2HB ARG 57 HB3 ARG 57 12.142 1.197 -4.218 459 1HG ARG 57 HG2 ARG 57 9.710 0.301 -3.834 460 2HG ARG 57 HG3 ARG 57 9.553 0.619 -5.561 461 1HD ARG 57 HD2 ARG 57 10.201 -1.706 -5.092 462 2HD ARG 57 HD3 ARG 57 11.417 -0.860 -6.045 463 HE ARG 57 HE ARG 57 12.517 -0.525 -3.718 464 1HH1 ARG 57 HH12 ARG 57 10.841 -3.429 -4.783 465 2HH1 ARG 57 HH11 ARG 57 11.793 -4.475 -3.771 466 1HH2 ARG 57 HH22 ARG 57 13.725 -1.874 -2.420 467 2HH2 ARG 57 HH21 ARG 57 13.445 -3.592 -2.418 468 H THR 58 HN THR 58 11.509 2.954 -1.358 469 HA THR 58 HA THR 58 14.013 4.282 -1.946 470 HB THR 58 HB THR 58 12.248 6.108 -2.085 471 HG1 THR 58 HG1 THR 58 13.714 7.451 -1.427 472 1HG2 THR 58 HG22 THR 58 10.955 5.197 -0.057 473 2HG2 THR 58 HG21 THR 58 12.151 6.072 0.901 474 3HG2 THR 58 HG23 THR 58 11.134 6.940 -0.249 475 H ARG 59 HN ARG 59 14.933 5.154 0.313 476 HA ARG 59 HA ARG 59 14.821 2.856 2.095 477 1HB ARG 59 HB2 ARG 59 16.831 3.500 2.991 478 2HB ARG 59 HB3 ARG 59 16.995 3.958 1.315 479 1HG ARG 59 HG2 ARG 59 16.467 6.268 1.893 480 2HG ARG 59 HG3 ARG 59 16.320 5.802 3.588 481 1HD ARG 59 HD2 ARG 59 18.558 5.550 3.875 482 2HD ARG 59 HD3 ARG 59 18.819 5.049 2.203 483 HE ARG 59 HE ARG 59 18.130 7.859 2.738 484 1HH1 ARG 59 HH12 ARG 59 20.568 5.497 1.797 485 2HH1 ARG 59 HH11 ARG 59 21.662 6.701 1.178 486 1HH2 ARG 59 HH22 ARG 59 19.583 9.419 1.918 487 2HH2 ARG 59 HH21 ARG 59 21.112 8.911 1.250 488 H ASN 60 HN ASN 60 14.326 2.972 4.295 489 HA ASN 60 HA ASN 60 12.562 5.192 5.028 490 1HB ASN 60 HB2 ASN 60 11.733 3.771 6.802 491 2HB ASN 60 HB3 ASN 60 11.750 2.864 5.304 492 1HD2 ASN 60 HD22 ASN 60 12.955 0.485 7.701 493 2HD2 ASN 60 HD21 ASN 60 11.487 1.246 7.184 494 H ALA 61 HN ALA 61 12.797 5.064 7.818 495 HA ALA 61 HA ALA 61 14.879 6.878 8.300 496 1HB ALA 61 HB1 ALA 61 12.839 6.836 9.613 497 2HB ALA 61 HB2 ALA 61 13.286 5.274 10.301 498 3HB ALA 61 HB3 ALA 61 14.251 6.707 10.661 499 H LYS 62 HN LYS 62 15.261 3.564 7.921 500 HA LYS 62 HA LYS 62 17.810 3.623 9.404 501 1HB LYS 62 HB2 LYS 62 15.973 1.222 9.266 502 2HB LYS 62 HB3 LYS 62 17.559 1.291 10.022 503 1HG LYS 62 HG2 LYS 62 16.407 1.665 11.908 504 2HG LYS 62 HG3 LYS 62 16.287 3.316 11.310 505 1HD LYS 62 HD2 LYS 62 14.073 2.927 11.713 506 2HD LYS 62 HD3 LYS 62 14.159 2.317 10.061 507 1HE LYS 62 HE2 LYS 62 14.844 0.094 11.458 508 2HE LYS 62 HE3 LYS 62 13.764 0.874 12.606 509 1HZ LYS 62 HZ1 LYS 62 12.175 1.076 10.631 510 2HZ LYS 62 HZ3 LYS 62 13.165 -0.090 9.881 511 3HZ LYS 62 HZ2 LYS 62 12.368 -0.464 11.335 512 H MET 63 HN MET 63 17.096 4.015 6.526 513 HA MET 63 HA MET 63 18.084 3.588 4.528 514 1HB MET 63 HB2 MET 63 19.996 1.615 5.719 515 2HB MET 63 HB3 MET 63 20.268 2.825 4.484 516 1HG MET 63 HG2 MET 63 19.764 4.453 6.540 517 2HG MET 63 HG3 MET 63 20.383 3.055 7.415 518 1HE MET 63 HE3 MET 63 20.995 6.189 6.191 519 2HE MET 63 HE1 MET 63 22.724 6.340 5.886 520 3HE MET 63 HE2 MET 63 21.641 5.870 4.580 521 H GLU 64 HN GLU 64 16.106 1.495 5.863 522 HA GLU 64 HA GLU 64 16.664 -0.899 4.334 523 1HB GLU 64 HB2 GLU 64 14.079 -0.215 5.745 524 2HB GLU 64 HB3 GLU 64 14.668 -1.807 5.293 525 1HG GLU 64 HG2 GLU 64 16.461 -1.639 6.933 526 2HG GLU 64 HG3 GLU 64 15.933 -0.015 7.365 527 H MET 65 HN MET 65 16.205 -1.120 2.239 528 HA MET 65 HA MET 65 14.777 0.845 0.752 529 1HB MET 65 HB2 MET 65 15.515 -1.937 -0.192 530 2HB MET 65 HB3 MET 65 15.248 -0.506 -1.175 531 1HG MET 65 HG2 MET 65 17.557 -1.048 0.676 532 2HG MET 65 HG3 MET 65 17.589 -0.925 -1.082 533 1HE MET 65 HE2 MET 65 16.614 0.993 -2.263 534 2HE MET 65 HE3 MET 65 15.844 2.321 -1.399 535 3HE MET 65 HE1 MET 65 17.470 2.518 -2.053 536 H VAL 66 HN VAL 66 12.618 1.069 0.933 537 HA VAL 66 HA VAL 66 10.911 -1.293 0.594 538 HB VAL 66 HB VAL 66 9.382 -0.465 2.408 539 1HG1 VAL 66 HG13 VAL 66 11.115 -2.266 2.740 540 2HG1 VAL 66 HG11 VAL 66 12.145 -1.033 3.472 541 3HG1 VAL 66 HG12 VAL 66 10.594 -1.436 4.207 542 1HG2 VAL 66 HG23 VAL 66 11.632 1.495 2.813 543 2HG2 VAL 66 HG21 VAL 66 9.903 1.809 2.665 544 3HG2 VAL 66 HG22 VAL 66 10.542 1.049 4.123 545 H TYR 67 HN TYR 67 8.525 -0.506 0.554 546 HA TYR 67 HA TYR 67 8.256 1.414 -1.595 547 1HB TYR 67 HB2 TYR 67 6.506 -0.648 -0.321 548 2HB TYR 67 HB3 TYR 67 5.715 0.719 -1.082 549 HD1 TYR 67 HD1 TYR 67 7.361 1.222 -3.434 550 HD2 TYR 67 HD2 TYR 67 6.063 -2.449 -1.726 551 HE1 TYR 67 HE1 TYR 67 7.492 0.170 -5.641 552 HE2 TYR 67 HE2 TYR 67 6.166 -3.528 -3.938 553 HH TYR 67 HH TYR 67 7.499 -1.829 -6.741 554 H CYS 68 HN CYS 68 7.175 3.344 -1.481 555 HA CYS 68 HA CYS 68 5.875 4.176 0.979 556 1HB CYS 68 HB2 CYS 68 8.323 4.835 1.151 557 2HB CYS 68 HB3 CYS 68 8.060 5.908 -0.210 558 HG CYS 68 HG CYS 68 7.589 6.656 2.577 559 H LEU 69 HN LEU 69 5.041 6.528 0.610 560 HA LEU 69 HA LEU 69 4.013 6.723 -2.156 561 1HB LEU 69 HB2 LEU 69 2.466 6.030 -0.092 562 2HB LEU 69 HB3 LEU 69 2.407 7.769 0.125 563 HG LEU 69 HG LEU 69 1.515 8.031 -2.147 564 1HD1 LEU 69 HD11 LEU 69 2.229 5.187 -2.302 565 2HD1 LEU 69 HD12 LEU 69 0.641 5.589 -2.955 566 3HD1 LEU 69 HD13 LEU 69 2.076 6.398 -3.579 567 1HD2 LEU 69 HD22 LEU 69 -0.007 7.768 -0.251 568 2HD2 LEU 69 HD23 LEU 69 -0.686 7.080 -1.727 569 3HD2 LEU 69 HD21 LEU 69 -0.003 6.024 -0.490 570 HA PRO 70 HA PRO 70 5.562 10.939 -1.707 571 1HB PRO 70 HB2 PRO 70 5.076 11.801 -4.196 572 2HB PRO 70 HB3 PRO 70 6.332 10.604 -3.877 573 1HG PRO 70 HG2 PRO 70 3.643 10.235 -5.070 574 2HG PRO 70 HG3 PRO 70 5.150 9.357 -5.383 575 1HD PRO 70 HD2 PRO 70 3.016 8.557 -3.713 576 2HD PRO 70 HD3 PRO 70 4.602 7.774 -3.865 577 H ALA 71 HN ALA 71 4.311 13.101 -2.936 578 HA ALA 71 HA ALA 71 2.021 13.568 -1.311 579 1HB ALA 71 HB3 ALA 71 3.309 15.033 -3.579 580 2HB ALA 71 HB1 ALA 71 1.694 15.505 -3.057 581 3HB ALA 71 HB2 ALA 71 3.033 15.547 -1.915 582 H GLU 72 HN GLU 72 0.178 12.447 -1.563 583 HA GLU 72 HA GLU 72 -0.657 10.688 -3.316 584 1HB GLU 72 HB2 GLU 72 -2.211 12.665 -1.726 585 2HB GLU 72 HB3 GLU 72 -3.098 11.757 -2.941 586 1HG GLU 72 HG2 GLU 72 -3.374 10.429 -1.098 587 2HG GLU 72 HG3 GLU 72 -1.980 9.678 -1.866 588 H LEU 73 HN LEU 73 -0.505 10.637 -5.432 589 HA LEU 73 HA LEU 73 -0.617 12.848 -7.137 590 1HB LEU 73 HB2 LEU 73 0.060 11.433 -8.753 591 2HB LEU 73 HB3 LEU 73 0.392 10.406 -7.374 592 HG LEU 73 HG LEU 73 -0.561 8.991 -8.951 593 1HD1 LEU 73 HD13 LEU 73 -1.855 9.336 -6.576 594 2HD1 LEU 73 HD11 LEU 73 -3.177 9.379 -7.744 595 3HD1 LEU 73 HD12 LEU 73 -2.081 8.004 -7.697 596 1HD2 LEU 73 HD21 LEU 73 -1.694 11.247 -10.057 597 2HD2 LEU 73 HD22 LEU 73 -1.865 9.591 -10.627 598 3HD2 LEU 73 HD23 LEU 73 -3.082 10.281 -9.556 599 H GLY 74 HN GLY 74 -3.186 11.138 -5.770 600 1HA GLY 74 HA1 GLY 74 -5.129 11.937 -7.820 601 2HA GLY 74 HA2 GLY 74 -5.441 10.886 -6.445 602 H VAL 75 HN VAL 75 -5.311 14.130 -7.581 603 HA VAL 75 HA VAL 75 -5.219 15.679 -5.329 604 HB VAL 75 HB VAL 75 -7.014 17.131 -6.752 605 1HG1 VAL 75 HG22 VAL 75 -4.756 17.824 -6.152 606 2HG1 VAL 75 HG23 VAL 75 -4.090 16.787 -7.417 607 3HG1 VAL 75 HG21 VAL 75 -5.095 18.173 -7.849 608 1HG2 VAL 75 HG12 VAL 75 -7.183 15.109 -8.344 609 2HG2 VAL 75 HG13 VAL 75 -6.968 16.710 -9.042 610 3HG2 VAL 75 HG11 VAL 75 -5.593 15.615 -8.917 611 HA PRO 76 HA PRO 76 -8.663 14.757 -2.702 612 1HB PRO 76 HB2 PRO 76 -8.815 17.704 -2.237 613 2HB PRO 76 HB3 PRO 76 -8.690 16.379 -1.076 614 1HG PRO 76 HG2 PRO 76 -6.578 17.903 -1.646 615 2HG PRO 76 HG3 PRO 76 -6.398 16.160 -1.373 616 1HD PRO 76 HD2 PRO 76 -6.355 17.693 -3.938 617 2HD PRO 76 HD3 PRO 76 -5.419 16.266 -3.451 618 H THR 77 HN THR 77 -10.688 14.337 -3.184 619 HA THR 77 HA THR 77 -12.562 16.330 -4.009 620 HB THR 77 HB THR 77 -11.522 15.839 -6.201 621 HG1 THR 77 HG1 THR 77 -13.482 16.304 -6.738 622 1HG2 THR 77 HG22 THR 77 -10.855 13.473 -5.794 623 2HG2 THR 77 HG21 THR 77 -12.543 13.014 -6.020 624 3HG2 THR 77 HG23 THR 77 -11.653 13.767 -7.338 625 H THR 78 HN THR 78 -12.665 15.100 -1.767 626 HA THR 78 HA THR 78 -14.835 13.133 -1.980 627 HB THR 78 HB THR 78 -13.679 11.912 -0.008 628 HG1 THR 78 HG1 THR 78 -11.939 13.814 -0.277 629 1HG2 THR 78 HG23 THR 78 -13.838 10.911 -2.235 630 2HG2 THR 78 HG22 THR 78 -12.335 11.717 -2.691 631 3HG2 THR 78 HG21 THR 78 -12.332 10.504 -1.410 No H/Q in entry = 631 Start of MODEL 4 1 1H MET 1 HT1 MET 1 -17.948 10.038 0.456 2 2H MET 1 HT3 MET 1 -18.637 11.613 0.408 3 3H MET 1 HT2 MET 1 -17.082 11.372 1.103 4 HA MET 1 HA MET 1 -17.862 10.621 3.000 5 1HB MET 1 HB2 MET 1 -20.239 12.090 1.835 6 2HB MET 1 HB3 MET 1 -20.093 11.685 3.537 7 1HG MET 1 HG2 MET 1 -18.363 13.551 1.935 8 2HG MET 1 HG3 MET 1 -19.438 13.948 3.271 9 1HE MET 1 HE2 MET 1 -19.206 12.355 5.427 10 2HE MET 1 HE3 MET 1 -17.668 12.297 6.288 11 3HE MET 1 HE1 MET 1 -18.449 13.848 5.990 12 H ARG 2 HN ARG 2 -19.808 9.608 4.241 13 HA ARG 2 HA ARG 2 -21.052 7.773 4.678 14 1HB ARG 2 HB2 ARG 2 -21.848 7.844 1.757 15 2HB ARG 2 HB3 ARG 2 -22.702 7.044 3.068 16 1HG ARG 2 HG2 ARG 2 -22.997 9.328 4.111 17 2HG ARG 2 HG3 ARG 2 -22.397 10.001 2.593 18 1HD ARG 2 HD2 ARG 2 -24.798 10.004 2.518 19 2HD ARG 2 HD3 ARG 2 -24.203 8.792 1.392 20 HE ARG 2 HE ARG 2 -25.135 7.126 2.676 21 1HH1 ARG 2 HH12 ARG 2 -25.307 10.179 4.406 22 2HH1 ARG 2 HH11 ARG 2 -26.384 9.565 5.632 23 1HH2 ARG 2 HH22 ARG 2 -26.541 6.322 4.281 24 2HH2 ARG 2 HH21 ARG 2 -27.086 7.373 5.560 25 H SER 3 HN SER 3 -18.704 6.951 4.758 26 HA SER 3 HA SER 3 -18.404 4.627 2.955 27 1HB SER 3 HB2 SER 3 -16.174 6.156 4.335 28 2HB SER 3 HB3 SER 3 -15.988 4.820 3.198 29 HG SER 3 HG SER 3 -16.090 6.227 1.644 30 H SER 4 HN SER 4 -19.811 3.547 4.518 31 HA SER 4 HA SER 4 -18.292 2.511 6.838 32 1HB SER 4 HB2 SER 4 -21.296 2.925 6.689 33 2HB SER 4 HB3 SER 4 -20.402 2.258 8.058 34 HG SER 4 HG SER 4 -20.493 4.314 8.636 35 H ALA 5 HN ALA 5 -17.626 0.564 6.217 36 HA ALA 5 HA ALA 5 -17.709 -1.658 5.697 37 1HB ALA 5 HB3 ALA 5 -20.114 -1.565 6.595 38 2HB ALA 5 HB1 ALA 5 -20.599 -1.517 4.902 39 3HB ALA 5 HB2 ALA 5 -19.671 -2.884 5.516 40 H LYS 6 HN LYS 6 -17.215 0.610 3.863 41 HA LYS 6 HA LYS 6 -17.780 -0.661 1.255 42 1HB LYS 6 HB2 LYS 6 -16.983 2.203 1.854 43 2HB LYS 6 HB3 LYS 6 -17.317 1.540 0.259 44 1HG LYS 6 HG2 LYS 6 -19.626 0.913 1.468 45 2HG LYS 6 HG3 LYS 6 -19.184 2.327 2.424 46 1HD LYS 6 HD2 LYS 6 -19.254 3.756 0.577 47 2HD LYS 6 HD3 LYS 6 -19.113 2.429 -0.576 48 1HE LYS 6 HE2 LYS 6 -21.340 3.006 -0.768 49 2HE LYS 6 HE3 LYS 6 -21.397 1.670 0.376 50 1HZ LYS 6 HZ1 LYS 6 -21.291 3.508 2.149 51 2HZ LYS 6 HZ3 LYS 6 -21.742 4.562 0.891 52 3HZ LYS 6 HZ2 LYS 6 -22.758 3.272 1.327 53 H GLN 7 HN GLN 7 -15.945 -0.416 -0.344 54 HA GLN 7 HA GLN 7 -13.594 -1.497 0.816 55 1HB GLN 7 HB2 GLN 7 -14.643 -1.895 -1.549 56 2HB GLN 7 HB3 GLN 7 -13.636 -0.533 -2.021 57 1HG GLN 7 HG2 GLN 7 -12.055 -2.072 -2.381 58 2HG GLN 7 HG3 GLN 7 -11.852 -2.039 -0.630 59 1HE2 GLN 7 HE22 GLN 7 -13.129 -5.261 -0.101 60 2HE2 GLN 7 HE21 GLN 7 -12.670 -3.752 0.609 61 H GLU 8 HN GLU 8 -14.380 1.609 1.021 62 HA GLU 8 HA GLU 8 -11.992 2.946 0.170 63 1HB GLU 8 HB2 GLU 8 -14.203 3.729 2.082 64 2HB GLU 8 HB3 GLU 8 -12.858 4.787 1.685 65 1HG GLU 8 HG2 GLU 8 -13.738 4.128 -0.795 66 2HG GLU 8 HG3 GLU 8 -15.243 4.071 0.121 67 H GLU 9 HN GLU 9 -12.461 0.738 2.610 68 HA GLU 9 HA GLU 9 -10.784 2.002 4.636 69 1HB GLU 9 HB2 GLU 9 -12.074 -0.729 4.483 70 2HB GLU 9 HB3 GLU 9 -11.067 -0.198 5.824 71 1HG GLU 9 HG2 GLU 9 -13.233 1.662 5.133 72 2HG GLU 9 HG3 GLU 9 -13.782 0.075 5.662 73 H LEU 10 HN LEU 10 -10.629 -0.597 2.265 74 HA LEU 10 HA LEU 10 -7.973 -1.457 2.815 75 1HB LEU 10 HB2 LEU 10 -9.278 -2.964 1.590 76 2HB LEU 10 HB3 LEU 10 -9.858 -1.731 0.490 77 HG LEU 10 HG LEU 10 -7.601 -1.662 -0.562 78 1HD1 LEU 10 HD11 LEU 10 -6.345 -2.461 1.420 79 2HD1 LEU 10 HD12 LEU 10 -7.013 -4.066 1.145 80 3HD1 LEU 10 HD13 LEU 10 -5.967 -3.326 -0.065 81 1HD2 LEU 10 HD22 LEU 10 -9.420 -3.077 -1.444 82 2HD2 LEU 10 HD23 LEU 10 -7.814 -3.727 -1.770 83 3HD2 LEU 10 HD21 LEU 10 -8.801 -4.421 -0.481 84 H VAL 11 HN VAL 11 -9.379 1.095 0.844 85 HA VAL 11 HA VAL 11 -6.971 1.767 -0.552 86 HB VAL 11 HB VAL 11 -9.632 3.134 -0.242 87 1HG1 VAL 11 HG11 VAL 11 -7.097 4.328 -1.241 88 2HG1 VAL 11 HG12 VAL 11 -8.572 4.644 -2.156 89 3HG1 VAL 11 HG13 VAL 11 -8.478 5.098 -0.455 90 1HG2 VAL 11 HG22 VAL 11 -9.301 1.169 -1.749 91 2HG2 VAL 11 HG23 VAL 11 -9.899 2.625 -2.541 92 3HG2 VAL 11 HG21 VAL 11 -8.205 2.168 -2.701 93 H LYS 12 HN LYS 12 -8.600 3.350 2.282 94 HA LYS 12 HA LYS 12 -6.608 5.339 2.684 95 1HB LYS 12 HB2 LYS 12 -8.732 4.136 4.425 96 2HB LYS 12 HB3 LYS 12 -7.443 5.032 5.215 97 1HG LYS 12 HG2 LYS 12 -9.079 6.631 4.921 98 2HG LYS 12 HG3 LYS 12 -8.016 6.907 3.536 99 1HD LYS 12 HD2 LYS 12 -9.570 5.236 2.345 100 2HD LYS 12 HD3 LYS 12 -10.713 5.617 3.624 101 1HE LYS 12 HE2 LYS 12 -9.807 8.097 2.757 102 2HE LYS 12 HE3 LYS 12 -9.946 7.159 1.273 103 1HZ LYS 12 HZ1 LYS 12 -12.202 6.955 3.099 104 2HZ LYS 12 HZ3 LYS 12 -11.968 8.487 2.395 105 3HZ LYS 12 HZ2 LYS 12 -12.183 7.119 1.404 106 H ALA 13 HN ALA 13 -7.044 2.119 4.019 107 HA ALA 13 HA ALA 13 -4.785 2.011 5.696 108 1HB ALA 13 HB1 ALA 13 -6.582 0.375 5.839 109 2HB ALA 13 HB2 ALA 13 -6.156 -0.260 4.252 110 3HB ALA 13 HB3 ALA 13 -5.032 -0.426 5.601 111 H PHE 14 HN PHE 14 -5.141 1.227 2.250 112 HA PHE 14 HA PHE 14 -2.659 0.059 1.758 113 1HB PHE 14 HB2 PHE 14 -4.605 0.214 0.140 114 2HB PHE 14 HB3 PHE 14 -4.110 1.857 -0.212 115 HD1 PHE 14 HD1 PHE 14 -3.272 -1.694 -0.498 116 HD2 PHE 14 HD2 PHE 14 -2.152 2.281 -1.559 117 HE1 PHE 14 HE1 PHE 14 -1.707 -2.580 -2.174 118 HE2 PHE 14 HE2 PHE 14 -0.580 1.392 -3.233 119 HZ PHE 14 HZ PHE 14 -0.360 -1.039 -3.537 120 H LYS 15 HN LYS 15 -3.555 3.516 1.452 121 HA LYS 15 HA LYS 15 -1.021 4.469 0.731 122 1HB LYS 15 HB2 LYS 15 -3.398 5.774 1.990 123 2HB LYS 15 HB3 LYS 15 -1.887 6.661 1.847 124 1HG LYS 15 HG2 LYS 15 -2.384 7.164 -0.247 125 2HG LYS 15 HG3 LYS 15 -2.338 5.459 -0.656 126 1HD LYS 15 HD2 LYS 15 -4.498 5.487 -1.088 127 2HD LYS 15 HD3 LYS 15 -4.809 5.816 0.606 128 1HE LYS 15 HE2 LYS 15 -5.386 7.444 -1.634 129 2HE LYS 15 HE3 LYS 15 -5.722 7.780 0.063 130 1HZ LYS 15 HZ1 LYS 15 -3.377 8.674 0.175 131 2HZ LYS 15 HZ3 LYS 15 -3.351 8.592 -1.530 132 3HZ LYS 15 HZ2 LYS 15 -4.492 9.581 -0.739 133 H ALA 16 HN ALA 16 -2.490 4.064 3.921 134 HA ALA 16 HA ALA 16 -0.468 5.213 5.482 135 1HB ALA 16 HB1 ALA 16 -2.731 4.720 6.314 136 2HB ALA 16 HB2 ALA 16 -2.346 2.998 6.303 137 3HB ALA 16 HB3 ALA 16 -1.469 4.095 7.371 138 H LEU 17 HN LEU 17 -0.951 1.791 4.549 139 HA LEU 17 HA LEU 17 1.174 0.641 5.946 140 1HB LEU 17 HB2 LEU 17 -0.022 -0.097 3.269 141 2HB LEU 17 HB3 LEU 17 1.184 -1.077 4.072 142 HG LEU 17 HG LEU 17 -1.672 -0.629 4.807 143 1HD1 LEU 17 HD11 LEU 17 0.095 -3.055 4.574 144 2HD1 LEU 17 HD12 LEU 17 -1.598 -3.088 5.067 145 3HD1 LEU 17 HD13 LEU 17 -1.162 -2.544 3.446 146 1HD2 LEU 17 HD23 LEU 17 0.545 -1.372 6.693 147 2HD2 LEU 17 HD21 LEU 17 -0.674 -0.108 6.875 148 3HD2 LEU 17 HD22 LEU 17 -1.140 -1.803 6.984 149 H LEU 18 HN LEU 18 1.144 2.050 2.699 150 HA LEU 18 HA LEU 18 3.887 1.560 2.110 151 1HB LEU 18 HB2 LEU 18 2.096 3.724 1.010 152 2HB LEU 18 HB3 LEU 18 3.610 3.189 0.310 153 HG LEU 18 HG LEU 18 1.300 1.293 0.645 154 1HD1 LEU 18 HD11 LEU 18 1.333 3.622 -0.981 155 2HD1 LEU 18 HD12 LEU 18 1.472 2.207 -2.030 156 3HD1 LEU 18 HD13 LEU 18 0.124 2.343 -0.903 157 1HD2 LEU 18 HD21 LEU 18 3.552 0.378 0.174 158 2HD2 LEU 18 HD22 LEU 18 2.395 0.076 -1.123 159 3HD2 LEU 18 HD23 LEU 18 3.596 1.354 -1.302 160 H LYS 19 HN LYS 19 2.233 4.565 3.080 161 HA LYS 19 HA LYS 19 4.448 6.201 3.277 162 1HB LYS 19 HB2 LYS 19 1.781 6.280 4.672 163 2HB LYS 19 HB3 LYS 19 2.990 7.533 4.907 164 1HG LYS 19 HG2 LYS 19 2.999 7.999 2.505 165 2HG LYS 19 HG3 LYS 19 1.795 6.726 2.251 166 1HD LYS 19 HD2 LYS 19 0.906 9.098 2.315 167 2HD LYS 19 HD3 LYS 19 0.127 7.952 3.407 168 1HE LYS 19 HE2 LYS 19 0.611 10.217 4.379 169 2HE LYS 19 HE3 LYS 19 1.234 8.848 5.295 170 1HZ LYS 19 HZ3 LYS 19 3.005 10.151 3.351 171 2HZ LYS 19 HZ2 LYS 19 2.693 10.945 4.824 172 3HZ LYS 19 HZ1 LYS 19 3.385 9.394 4.826 173 H GLU 20 HN GLU 20 3.371 3.823 5.616 174 HA GLU 20 HA GLU 20 4.850 4.834 7.832 175 1HB GLU 20 HB2 GLU 20 3.621 2.151 7.215 176 2HB GLU 20 HB3 GLU 20 4.544 2.419 8.688 177 1HG GLU 20 HG2 GLU 20 2.278 4.245 7.987 178 2HG GLU 20 HG3 GLU 20 1.960 2.673 8.711 179 H GLU 21 HN GLU 21 5.838 3.171 4.998 180 HA GLU 21 HA GLU 21 7.824 2.383 4.250 181 1HB GLU 21 HB2 GLU 21 9.055 3.699 6.687 182 2HB GLU 21 HB3 GLU 21 9.892 3.207 5.221 183 1HG GLU 21 HG2 GLU 21 8.528 4.833 3.939 184 2HG GLU 21 HG3 GLU 21 7.806 5.374 5.448 185 H LYS 22 HN LYS 22 7.025 0.272 4.635 186 HA LYS 22 HA LYS 22 8.503 -1.223 6.706 187 1HB LYS 22 HB2 LYS 22 5.582 -0.877 6.407 188 2HB LYS 22 HB3 LYS 22 6.057 -2.563 6.469 189 1HG LYS 22 HG2 LYS 22 6.752 -0.510 8.544 190 2HG LYS 22 HG3 LYS 22 5.405 -1.640 8.630 191 1HD LYS 22 HD2 LYS 22 8.238 -2.593 8.277 192 2HD LYS 22 HD3 LYS 22 7.563 -2.275 9.873 193 1HE LYS 22 HE2 LYS 22 6.290 -4.141 7.869 194 2HE LYS 22 HE3 LYS 22 7.450 -4.670 9.085 195 1HZ LYS 22 HZ3 LYS 22 5.371 -3.115 10.259 196 2HZ LYS 22 HZ2 LYS 22 4.723 -4.430 9.394 197 3HZ LYS 22 HZ1 LYS 22 5.868 -4.704 10.627 198 H PHE 23 HN PHE 23 6.275 -1.613 4.024 199 HA PHE 23 HA PHE 23 7.214 -4.233 3.387 200 1HB PHE 23 HB2 PHE 23 5.247 -2.504 1.879 201 2HB PHE 23 HB3 PHE 23 5.345 -4.278 1.905 202 HD1 PHE 23 HD2 PHE 23 4.769 -5.509 3.996 203 HD2 PHE 23 HD1 PHE 23 4.191 -1.302 3.698 204 HE1 PHE 23 HE2 PHE 23 3.359 -5.554 6.010 205 HE2 PHE 23 HE1 PHE 23 2.792 -1.346 5.709 206 HZ PHE 23 HZ PHE 23 2.361 -3.479 6.864 207 H SER 24 HN SER 24 8.577 -4.853 1.902 208 HA SER 24 HA SER 24 9.763 -2.861 0.122 209 1HB SER 24 HB2 SER 24 10.766 -5.152 1.600 210 2HB SER 24 HB3 SER 24 11.278 -5.203 -0.087 211 HG SER 24 HG SER 24 12.150 -3.120 0.181 212 H SER 25 HN SER 25 7.512 -5.395 -0.068 213 HA SER 25 HA SER 25 7.640 -5.235 -2.987 214 1HB SER 25 HB2 SER 25 7.331 -7.712 -3.185 215 2HB SER 25 HB3 SER 25 8.910 -7.231 -2.577 216 HG SER 25 HG SER 25 7.307 -8.939 -1.476 217 H GLN 26 HN GLN 26 5.755 -5.842 -4.079 218 HA GLN 26 HA GLN 26 3.320 -4.968 -2.938 219 1HB GLN 26 HB2 GLN 26 3.558 -6.668 -5.404 220 2HB GLN 26 HB3 GLN 26 2.361 -5.458 -5.045 221 1HG GLN 26 HG2 GLN 26 3.605 -4.134 -6.356 222 2HG GLN 26 HG3 GLN 26 4.668 -3.995 -4.964 223 1HE2 GLN 26 HE22 GLN 26 5.985 -5.548 -8.359 224 2HE2 GLN 26 HE21 GLN 26 4.486 -4.694 -8.165 225 H GLY 27 HN GLY 27 4.857 -8.073 -2.875 226 1HA GLY 27 HA1 GLY 27 2.466 -9.615 -2.352 227 2HA GLY 27 HA2 GLY 27 4.126 -10.159 -2.179 228 H GLU 28 HN GLU 28 5.109 -8.258 -0.386 229 HA GLU 28 HA GLU 28 4.353 -9.291 2.097 230 1HB GLU 28 HB2 GLU 28 5.842 -6.766 1.355 231 2HB GLU 28 HB3 GLU 28 5.595 -7.259 3.023 232 1HG GLU 28 HG2 GLU 28 6.819 -9.304 2.651 233 2HG GLU 28 HG3 GLU 28 7.007 -8.915 0.946 234 H ILE 29 HN ILE 29 3.317 -6.274 0.481 235 HA ILE 29 HA ILE 29 1.715 -5.433 2.711 236 HB ILE 29 HB ILE 29 2.081 -3.558 1.631 237 1HG1 ILE 29 HG12 ILE 29 -0.134 -4.302 -0.252 238 2HG1 ILE 29 HG13 ILE 29 -0.364 -3.738 1.405 239 1HG2 ILE 29 HG21 ILE 29 2.414 -5.180 -0.852 240 2HG2 ILE 29 HG22 ILE 29 2.376 -3.422 -0.918 241 3HG2 ILE 29 HG23 ILE 29 3.616 -4.239 0.030 242 1HD1 ILE 29 HD11 ILE 29 1.199 -1.769 0.552 243 2HD1 ILE 29 HD12 ILE 29 0.499 -2.241 -0.999 244 3HD1 ILE 29 HD13 ILE 29 -0.553 -1.753 0.331 245 H VAL 30 HN VAL 30 1.136 -7.702 0.171 246 HA VAL 30 HA VAL 30 -1.730 -7.671 0.187 247 HB VAL 30 HB VAL 30 0.155 -9.972 -0.445 248 1HG1 VAL 30 HG13 VAL 30 -2.105 -10.748 0.100 249 2HG1 VAL 30 HG11 VAL 30 -2.758 -9.664 -1.123 250 3HG1 VAL 30 HG12 VAL 30 -1.710 -10.996 -1.596 251 1HG2 VAL 30 HG23 VAL 30 -0.152 -7.642 -1.848 252 2HG2 VAL 30 HG21 VAL 30 0.419 -9.168 -2.510 253 3HG2 VAL 30 HG22 VAL 30 -1.275 -8.724 -2.646 254 H ALA 31 HN ALA 31 0.713 -9.682 1.799 255 HA ALA 31 HA ALA 31 -1.031 -11.155 3.446 256 1HB ALA 31 HB3 ALA 31 1.325 -11.757 2.947 257 2HB ALA 31 HB1 ALA 31 1.856 -10.455 4.012 258 3HB ALA 31 HB2 ALA 31 0.945 -11.814 4.666 259 H ALA 32 HN ALA 32 0.543 -8.030 3.917 260 HA ALA 32 HA ALA 32 0.056 -7.674 6.656 261 1HB ALA 32 HB2 ALA 32 1.583 -6.310 5.209 262 2HB ALA 32 HB3 ALA 32 0.161 -5.455 4.619 263 3HB ALA 32 HB1 ALA 32 0.586 -5.383 6.329 264 H LEU 33 HN LEU 33 -1.919 -6.639 3.849 265 HA LEU 33 HA LEU 33 -3.944 -5.429 5.451 266 1HB LEU 33 HB2 LEU 33 -4.147 -6.392 2.597 267 2HB LEU 33 HB3 LEU 33 -5.291 -5.330 3.412 268 HG LEU 33 HG LEU 33 -2.434 -4.473 3.263 269 1HD1 LEU 33 HD13 LEU 33 -4.372 -4.257 0.975 270 2HD1 LEU 33 HD11 LEU 33 -2.820 -3.439 1.082 271 3HD1 LEU 33 HD12 LEU 33 -2.887 -5.199 0.988 272 1HD2 LEU 33 HD23 LEU 33 -5.112 -3.105 3.272 273 2HD2 LEU 33 HD21 LEU 33 -3.871 -3.073 4.522 274 3HD2 LEU 33 HD22 LEU 33 -3.596 -2.257 2.986 275 H GLN 34 HN GLN 34 -3.423 -8.705 4.273 276 HA GLN 34 HA GLN 34 -6.009 -9.729 4.852 277 1HB GLN 34 HB2 GLN 34 -3.302 -11.031 4.641 278 2HB GLN 34 HB3 GLN 34 -4.727 -11.957 5.086 279 1HG GLN 34 HG2 GLN 34 -5.746 -11.625 3.013 280 2HG GLN 34 HG3 GLN 34 -4.679 -10.284 2.599 281 1HE2 GLN 34 HE22 GLN 34 -3.417 -12.934 0.547 282 2HE2 GLN 34 HE21 GLN 34 -4.713 -11.794 0.626 283 H GLU 35 HN GLU 35 -3.118 -9.267 6.843 284 HA GLU 35 HA GLU 35 -4.124 -10.492 9.223 285 1HB GLU 35 HB2 GLU 35 -1.977 -8.381 8.855 286 2HB GLU 35 HB3 GLU 35 -2.300 -9.227 10.361 287 1HG GLU 35 HG2 GLU 35 -1.524 -11.268 9.522 288 2HG GLU 35 HG3 GLU 35 -1.591 -10.713 7.853 289 H GLN 36 HN GLN 36 -4.308 -7.240 7.864 290 HA GLN 36 HA GLN 36 -5.272 -5.882 10.157 291 1HB GLN 36 HB2 GLN 36 -5.331 -5.279 7.213 292 2HB GLN 36 HB3 GLN 36 -6.131 -4.227 8.365 293 1HG GLN 36 HG2 GLN 36 -3.386 -4.874 9.121 294 2HG GLN 36 HG3 GLN 36 -3.505 -4.060 7.564 295 1HE2 GLN 36 HE22 GLN 36 -3.703 -0.978 9.118 296 2HE2 GLN 36 HE21 GLN 36 -3.069 -1.980 7.862 297 H GLY 37 HN GLY 37 -7.026 -7.239 7.347 298 1HA GLY 37 HA1 GLY 37 -9.157 -8.382 8.464 299 2HA GLY 37 HA2 GLY 37 -9.584 -6.688 8.661 300 H PHE 38 HN PHE 38 -7.855 -7.921 5.847 301 HA PHE 38 HA PHE 38 -10.289 -7.427 4.219 302 1HB PHE 38 HB2 PHE 38 -7.417 -6.886 3.429 303 2HB PHE 38 HB3 PHE 38 -8.850 -6.570 2.451 304 HD1 PHE 38 HD1 PHE 38 -10.435 -4.788 3.138 305 HD2 PHE 38 HD2 PHE 38 -6.761 -5.404 5.180 306 HE1 PHE 38 HE1 PHE 38 -10.630 -2.569 4.182 307 HE2 PHE 38 HE2 PHE 38 -6.950 -3.205 6.222 308 HZ PHE 38 HZ PHE 38 -8.874 -1.779 5.717 309 H ASP 39 HN ASP 39 -11.038 -9.295 3.538 310 HA ASP 39 HA ASP 39 -9.210 -11.521 2.952 311 1HB ASP 39 HB2 ASP 39 -12.145 -11.371 3.640 312 2HB ASP 39 HB3 ASP 39 -11.484 -12.816 2.889 313 H ASN 40 HN ASN 40 -10.042 -9.155 1.167 314 HA ASN 40 HA ASN 40 -10.483 -10.757 -1.253 315 1HB ASN 40 HB2 ASN 40 -12.582 -9.490 -0.570 316 2HB ASN 40 HB3 ASN 40 -11.688 -8.001 -0.842 317 1HD2 ASN 40 HD22 ASN 40 -12.705 -10.336 -4.060 318 2HD2 ASN 40 HD21 ASN 40 -12.426 -11.059 -2.512 319 H ILE 41 HN ILE 41 -8.037 -10.473 -0.730 320 HA ILE 41 HA ILE 41 -7.020 -8.309 -2.410 321 HB ILE 41 HB ILE 41 -6.687 -8.476 0.511 322 1HG1 ILE 41 HG12 ILE 41 -7.571 -6.566 -1.063 323 2HG1 ILE 41 HG13 ILE 41 -6.658 -6.166 0.385 324 1HG2 ILE 41 HG23 ILE 41 -4.245 -8.080 -1.196 325 2HG2 ILE 41 HG21 ILE 41 -4.375 -7.507 0.463 326 3HG2 ILE 41 HG22 ILE 41 -4.483 -9.232 0.121 327 1HD1 ILE 41 HD11 ILE 41 -5.003 -6.557 -1.987 328 2HD1 ILE 41 HD12 ILE 41 -6.145 -5.220 -2.105 329 3HD1 ILE 41 HD13 ILE 41 -4.986 -5.276 -0.780 330 H ASN 42 HN ASN 42 -5.345 -8.909 -3.615 331 HA ASN 42 HA ASN 42 -3.659 -11.165 -2.885 332 1HB ASN 42 HB2 ASN 42 -3.861 -12.215 -5.140 333 2HB ASN 42 HB3 ASN 42 -5.333 -12.315 -4.187 334 1HD2 ASN 42 HD22 ASN 42 -6.847 -11.429 -7.240 335 2HD2 ASN 42 HD21 ASN 42 -6.416 -12.736 -6.195 336 H GLN 43 HN GLN 43 -1.912 -11.385 -4.804 337 HA GLN 43 HA GLN 43 -0.382 -9.061 -4.731 338 1HB GLN 43 HB2 GLN 43 0.284 -11.510 -5.328 339 2HB GLN 43 HB3 GLN 43 -0.051 -11.023 -6.982 340 1HG GLN 43 HG2 GLN 43 1.665 -9.419 -6.976 341 2HG GLN 43 HG3 GLN 43 1.819 -9.465 -5.223 342 1HE2 GLN 43 HE22 GLN 43 3.561 -12.648 -5.288 343 2HE2 GLN 43 HE21 GLN 43 2.241 -11.891 -4.468 344 H SER 44 HN SER 44 -2.745 -10.053 -7.163 345 HA SER 44 HA SER 44 -2.087 -8.088 -9.090 346 1HB SER 44 HB2 SER 44 -4.897 -9.091 -8.884 347 2HB SER 44 HB3 SER 44 -3.855 -8.927 -10.294 348 HG SER 44 HG SER 44 -3.930 -11.063 -9.986 349 H LYS 45 HN LYS 45 -4.453 -8.159 -6.442 350 HA LYS 45 HA LYS 45 -5.705 -5.674 -6.944 351 1HB LYS 45 HB2 LYS 45 -6.183 -7.691 -5.219 352 2HB LYS 45 HB3 LYS 45 -5.374 -6.591 -4.120 353 1HG LYS 45 HG2 LYS 45 -7.569 -6.004 -3.811 354 2HG LYS 45 HG3 LYS 45 -7.097 -4.851 -5.060 355 1HD LYS 45 HD2 LYS 45 -7.966 -6.513 -6.755 356 2HD LYS 45 HD3 LYS 45 -8.632 -7.427 -5.397 357 1HE LYS 45 HE2 LYS 45 -10.137 -5.717 -4.835 358 2HE LYS 45 HE3 LYS 45 -9.270 -4.521 -5.803 359 1HZ LYS 45 HZ1 LYS 45 -9.893 -6.043 -7.765 360 2HZ LYS 45 HZ3 LYS 45 -11.071 -6.682 -6.705 361 3HZ LYS 45 HZ2 LYS 45 -11.089 -5.024 -7.108 362 H VAL 46 HN VAL 46 -2.880 -6.559 -5.049 363 HA VAL 46 HA VAL 46 -2.370 -3.953 -3.986 364 HB VAL 46 HB VAL 46 -0.745 -6.481 -4.016 365 1HG1 VAL 46 HG12 VAL 46 -0.125 -3.768 -2.911 366 2HG1 VAL 46 HG13 VAL 46 0.490 -5.217 -2.130 367 3HG1 VAL 46 HG11 VAL 46 0.918 -4.875 -3.801 368 1HG2 VAL 46 HG22 VAL 46 -2.721 -5.201 -2.203 369 2HG2 VAL 46 HG23 VAL 46 -2.418 -6.907 -2.513 370 3HG2 VAL 46 HG21 VAL 46 -1.347 -5.999 -1.447 371 H SER 47 HN SER 47 -0.904 -5.860 -6.660 372 HA SER 47 HA SER 47 1.005 -3.874 -7.347 373 1HB SER 47 HB2 SER 47 1.140 -5.107 -9.539 374 2HB SER 47 HB3 SER 47 1.409 -6.087 -8.100 375 HG SER 47 HG SER 47 -0.462 -7.097 -8.396 376 H ARG 48 HN ARG 48 -2.366 -4.354 -8.226 377 HA ARG 48 HA ARG 48 -2.460 -2.417 -10.330 378 1HB ARG 48 HB2 ARG 48 -4.524 -3.766 -8.615 379 2HB ARG 48 HB3 ARG 48 -4.989 -2.364 -9.565 380 1HG ARG 48 HG2 ARG 48 -4.159 -3.532 -11.600 381 2HG ARG 48 HG3 ARG 48 -3.876 -4.958 -10.606 382 1HD ARG 48 HD2 ARG 48 -6.017 -5.549 -10.689 383 2HD ARG 48 HD3 ARG 48 -6.536 -3.961 -10.138 384 HE ARG 48 HE ARG 48 -6.902 -4.973 -12.690 385 1HH1 ARG 48 HH12 ARG 48 -5.614 -2.049 -11.249 386 2HH1 ARG 48 HH11 ARG 48 -6.039 -1.036 -12.592 387 1HH2 ARG 48 HH22 ARG 48 -7.478 -3.636 -14.459 388 2HH2 ARG 48 HH21 ARG 48 -7.102 -1.933 -14.417 389 H MET 49 HN MET 49 -3.083 -2.294 -6.837 390 HA MET 49 HA MET 49 -3.781 0.461 -6.768 391 1HB MET 49 HB2 MET 49 -3.023 -1.551 -4.668 392 2HB MET 49 HB3 MET 49 -3.234 0.143 -4.250 393 1HG MET 49 HG2 MET 49 -5.508 0.093 -5.107 394 2HG MET 49 HG3 MET 49 -5.311 -1.595 -5.563 395 1HE MET 49 HE2 MET 49 -7.562 -0.605 -4.268 396 2HE MET 49 HE3 MET 49 -7.792 -2.143 -3.433 397 3HE MET 49 HE1 MET 49 -7.724 -0.639 -2.511 398 H LEU 50 HN LEU 50 -0.681 -1.244 -6.419 399 HA LEU 50 HA LEU 50 0.872 0.957 -5.527 400 1HB LEU 50 HB2 LEU 50 1.500 -1.625 -6.910 401 2HB LEU 50 HB3 LEU 50 2.736 -0.386 -6.876 402 HG LEU 50 HG LEU 50 1.707 -0.690 -4.217 403 1HD1 LEU 50 HD12 LEU 50 1.982 -3.221 -5.690 404 2HD1 LEU 50 HD13 LEU 50 2.822 -3.141 -4.147 405 3HD1 LEU 50 HD11 LEU 50 1.098 -2.833 -4.223 406 1HD2 LEU 50 HD21 LEU 50 4.283 -0.814 -5.626 407 2HD2 LEU 50 HD22 LEU 50 3.827 0.004 -4.132 408 3HD2 LEU 50 HD23 LEU 50 4.189 -1.715 -4.114 409 H THR 51 HN THR 51 -0.012 -0.159 -8.768 410 HA THR 51 HA THR 51 1.479 1.856 -10.159 411 HB THR 51 HB THR 51 -0.842 0.283 -11.293 412 HG1 THR 51 HG1 THR 51 0.427 -1.278 -10.369 413 1HG2 THR 51 HG23 THR 51 0.237 2.010 -12.731 414 2HG2 THR 51 HG22 THR 51 1.741 1.099 -12.604 415 3HG2 THR 51 HG21 THR 51 0.327 0.368 -13.367 416 H LYS 52 HN LYS 52 -1.854 1.549 -9.022 417 HA LYS 52 HA LYS 52 -2.890 3.840 -10.378 418 1HB LYS 52 HB2 LYS 52 -4.357 2.048 -9.600 419 2HB LYS 52 HB3 LYS 52 -3.910 2.366 -7.933 420 1HG LYS 52 HG2 LYS 52 -4.984 4.717 -9.294 421 2HG LYS 52 HG3 LYS 52 -6.112 3.362 -9.243 422 1HD LYS 52 HD2 LYS 52 -6.213 3.351 -6.930 423 2HD LYS 52 HD3 LYS 52 -4.639 4.123 -6.753 424 1HE LYS 52 HE2 LYS 52 -6.039 5.846 -6.161 425 2HE LYS 52 HE3 LYS 52 -5.816 6.168 -7.877 426 1HZ LYS 52 HZ1 LYS 52 -7.987 4.478 -7.743 427 2HZ LYS 52 HZ3 LYS 52 -8.198 5.547 -6.436 428 3HZ LYS 52 HZ2 LYS 52 -8.021 6.160 -8.017 429 H PHE 53 HN PHE 53 -1.888 3.334 -6.979 430 HA PHE 53 HA PHE 53 -2.273 6.094 -6.280 431 1HB PHE 53 HB2 PHE 53 -0.998 3.767 -4.823 432 2HB PHE 53 HB3 PHE 53 -1.108 5.380 -4.129 433 HD1 PHE 53 HD1 PHE 53 -3.650 6.383 -4.456 434 HD2 PHE 53 HD2 PHE 53 -2.546 2.294 -4.089 435 HE1 PHE 53 HE1 PHE 53 -5.909 5.846 -3.649 436 HE2 PHE 53 HE2 PHE 53 -4.795 1.749 -3.277 437 HZ PHE 53 HZ PHE 53 -6.479 3.518 -3.065 438 H GLY 54 HN GLY 54 0.423 4.240 -7.508 439 1HA GLY 54 HA1 GLY 54 2.417 5.053 -8.385 440 2HA GLY 54 HA2 GLY 54 1.971 6.663 -7.845 441 H ALA 55 HN ALA 55 2.920 3.504 -6.523 442 HA ALA 55 HA ALA 55 3.969 4.665 -4.102 443 1HB ALA 55 HB1 ALA 55 4.059 1.850 -5.176 444 2HB ALA 55 HB2 ALA 55 4.637 2.335 -3.579 445 3HB ALA 55 HB3 ALA 55 2.929 2.501 -3.989 446 H VAL 56 HN VAL 56 5.968 5.325 -3.726 447 HA VAL 56 HA VAL 56 8.098 4.816 -5.699 448 HB VAL 56 HB VAL 56 9.317 6.662 -4.449 449 1HG1 VAL 56 HG11 VAL 56 7.956 6.879 -6.607 450 2HG1 VAL 56 HG12 VAL 56 6.722 7.635 -5.599 451 3HG1 VAL 56 HG13 VAL 56 8.326 8.359 -5.718 452 1HG2 VAL 56 HG23 VAL 56 7.970 6.558 -2.369 453 2HG2 VAL 56 HG21 VAL 56 8.032 8.176 -3.059 454 3HG2 VAL 56 HG22 VAL 56 6.588 7.188 -3.262 455 H ARG 57 HN ARG 57 10.374 4.734 -4.500 456 HA ARG 57 HA ARG 57 10.118 2.956 -2.153 457 1HB ARG 57 HB2 ARG 57 11.730 2.554 -4.651 458 2HB ARG 57 HB3 ARG 57 12.259 1.835 -3.141 459 1HG ARG 57 HG2 ARG 57 9.547 1.197 -3.345 460 2HG ARG 57 HG3 ARG 57 10.197 0.970 -4.967 461 1HD ARG 57 HD2 ARG 57 11.745 -0.127 -2.666 462 2HD ARG 57 HD3 ARG 57 10.249 -0.944 -3.124 463 HE ARG 57 HE ARG 57 11.826 -0.510 -5.428 464 1HH1 ARG 57 HH12 ARG 57 11.751 -2.480 -2.535 465 2HH1 ARG 57 HH11 ARG 57 12.603 -3.813 -3.259 466 1HH2 ARG 57 HH22 ARG 57 12.932 -2.216 -6.387 467 2HH2 ARG 57 HH21 ARG 57 13.281 -3.663 -5.475 468 H THR 58 HN THR 58 11.723 3.049 -0.606 469 HA THR 58 HA THR 58 13.993 4.823 -0.913 470 HB THR 58 HB THR 58 12.138 6.399 -0.396 471 HG1 THR 58 HG1 THR 58 13.375 7.569 0.869 472 1HG2 THR 58 HG22 THR 58 11.948 4.954 2.236 473 2HG2 THR 58 HG21 THR 58 11.199 6.500 1.851 474 3HG2 THR 58 HG23 THR 58 10.705 5.045 0.991 475 H ARG 59 HN ARG 59 15.317 4.898 1.122 476 HA ARG 59 HA ARG 59 15.644 2.260 2.183 477 1HB ARG 59 HB2 ARG 59 17.136 4.762 2.143 478 2HB ARG 59 HB3 ARG 59 17.205 4.013 3.729 479 1HG ARG 59 HG2 ARG 59 17.888 1.880 2.514 480 2HG ARG 59 HG3 ARG 59 18.136 2.902 1.099 481 1HD ARG 59 HD2 ARG 59 19.446 3.353 3.786 482 2HD ARG 59 HD3 ARG 59 20.204 2.506 2.434 483 HE ARG 59 HE ARG 59 19.297 5.046 1.565 484 1HH1 ARG 59 HH12 ARG 59 21.793 3.614 3.559 485 2HH1 ARG 59 HH11 ARG 59 22.925 4.909 3.289 486 1HH2 ARG 59 HH22 ARG 59 20.768 6.740 1.216 487 2HH2 ARG 59 HH21 ARG 59 22.337 6.695 1.966 488 H ASN 60 HN ASN 60 14.812 1.410 4.003 489 HA ASN 60 HA ASN 60 13.063 3.020 5.657 490 1HB ASN 60 HB2 ASN 60 12.194 1.017 6.519 491 2HB ASN 60 HB3 ASN 60 12.568 0.639 4.848 492 1HD2 ASN 60 HD22 ASN 60 13.704 -2.068 7.197 493 2HD2 ASN 60 HD21 ASN 60 12.225 -1.186 7.057 494 H ALA 61 HN ALA 61 13.459 1.469 8.095 495 HA ALA 61 HA ALA 61 15.348 3.143 9.387 496 1HB ALA 61 HB2 ALA 61 13.304 2.194 10.446 497 2HB ALA 61 HB3 ALA 61 14.107 0.624 10.484 498 3HB ALA 61 HB1 ALA 61 14.775 1.980 11.394 499 H LYS 62 HN LYS 62 15.724 0.073 7.799 500 HA LYS 62 HA LYS 62 18.466 -0.120 8.863 501 1HB LYS 62 HB2 LYS 62 16.521 -2.406 8.503 502 2HB LYS 62 HB3 LYS 62 18.244 -2.597 8.798 503 1HG LYS 62 HG2 LYS 62 17.953 -1.324 10.929 504 2HG LYS 62 HG3 LYS 62 16.211 -1.370 10.652 505 1HD LYS 62 HD2 LYS 62 17.006 -4.014 10.324 506 2HD LYS 62 HD3 LYS 62 17.990 -3.441 11.673 507 1HE LYS 62 HE2 LYS 62 14.997 -3.083 11.533 508 2HE LYS 62 HE3 LYS 62 15.773 -4.463 12.302 509 1HZ LYS 62 HZ2 LYS 62 16.875 -1.992 13.220 510 2HZ LYS 62 HZ1 LYS 62 15.196 -2.057 13.478 511 3HZ LYS 62 HZ3 LYS 62 16.205 -3.279 14.104 512 H MET 63 HN MET 63 18.036 1.134 6.490 513 HA MET 63 HA MET 63 18.923 1.245 4.411 514 1HB MET 63 HB2 MET 63 20.262 -1.424 4.746 515 2HB MET 63 HB3 MET 63 20.852 0.019 3.949 516 1HG MET 63 HG2 MET 63 20.783 1.002 6.383 517 2HG MET 63 HG3 MET 63 20.890 -0.699 6.811 518 1HE MET 63 HE1 MET 63 22.416 -2.224 5.263 519 2HE MET 63 HE2 MET 63 24.134 -1.854 5.105 520 3HE MET 63 HE3 MET 63 23.422 -2.059 6.705 521 H GLU 64 HN GLU 64 16.550 -0.962 4.988 522 HA GLU 64 HA GLU 64 16.716 -2.419 2.477 523 1HB GLU 64 HB2 GLU 64 14.501 -2.330 4.539 524 2HB GLU 64 HB3 GLU 64 14.520 -3.372 3.126 525 1HG GLU 64 HG2 GLU 64 16.928 -3.943 4.321 526 2HG GLU 64 HG3 GLU 64 15.875 -3.659 5.702 527 H MET 65 HN MET 65 15.791 -1.855 0.599 528 HA MET 65 HA MET 65 14.589 0.744 0.325 529 1HB MET 65 HB2 MET 65 14.944 -1.453 -1.730 530 2HB MET 65 HB3 MET 65 14.492 0.210 -2.072 531 1HG MET 65 HG2 MET 65 16.684 0.886 -0.998 532 2HG MET 65 HG3 MET 65 17.117 -0.821 -1.040 533 1HE MET 65 HE1 MET 65 15.788 2.105 -2.937 534 2HE MET 65 HE2 MET 65 16.582 2.063 -4.513 535 3HE MET 65 HE3 MET 65 15.150 1.078 -4.224 536 H VAL 66 HN VAL 66 12.635 0.676 1.485 537 HA VAL 66 HA VAL 66 10.614 -1.252 0.628 538 HB VAL 66 HB VAL 66 9.265 -0.462 2.545 539 1HG1 VAL 66 HG13 VAL 66 12.052 -1.422 3.196 540 2HG1 VAL 66 HG11 VAL 66 10.668 -1.501 4.284 541 3HG1 VAL 66 HG12 VAL 66 10.662 -2.430 2.779 542 1HG2 VAL 66 HG22 VAL 66 11.666 1.289 3.036 543 2HG2 VAL 66 HG23 VAL 66 9.980 1.768 2.870 544 3HG2 VAL 66 HG21 VAL 66 10.501 0.879 4.295 545 H TYR 67 HN TYR 67 8.408 -0.529 0.386 546 HA TYR 67 HA TYR 67 8.178 1.586 -1.522 547 1HB TYR 67 HB2 TYR 67 6.295 -0.446 -0.359 548 2HB TYR 67 HB3 TYR 67 5.645 0.928 -1.240 549 HD1 TYR 67 HD1 TYR 67 7.280 1.320 -3.516 550 HD2 TYR 67 HD2 TYR 67 6.200 -2.353 -1.664 551 HE1 TYR 67 HE1 TYR 67 7.622 0.163 -5.649 552 HE2 TYR 67 HE2 TYR 67 6.525 -3.529 -3.798 553 HH TYR 67 HH TYR 67 6.676 -2.070 -6.716 554 H CYS 68 HN CYS 68 7.125 3.500 -1.347 555 HA CYS 68 HA CYS 68 5.808 4.297 1.129 556 1HB CYS 68 HB2 CYS 68 8.296 4.886 1.298 557 2HB CYS 68 HB3 CYS 68 8.016 6.037 0.002 558 HG CYS 68 HG CYS 68 7.814 6.965 2.586 559 H LEU 69 HN LEU 69 5.120 6.712 0.777 560 HA LEU 69 HA LEU 69 4.037 6.956 -1.961 561 1HB LEU 69 HB2 LEU 69 2.527 6.372 0.200 562 2HB LEU 69 HB3 LEU 69 2.488 8.122 0.282 563 HG LEU 69 HG LEU 69 1.547 8.232 -1.971 564 1HD1 LEU 69 HD11 LEU 69 2.377 5.435 -2.036 565 2HD1 LEU 69 HD12 LEU 69 0.722 5.679 -2.586 566 3HD1 LEU 69 HD13 LEU 69 2.042 6.554 -3.358 567 1HD2 LEU 69 HD22 LEU 69 0.201 6.516 0.079 568 2HD2 LEU 69 HD23 LEU 69 -0.121 8.193 -0.362 569 3HD2 LEU 69 HD21 LEU 69 -0.594 6.890 -1.450 570 HA PRO 70 HA PRO 70 5.852 11.056 -1.940 571 1HB PRO 70 HB2 PRO 70 3.680 11.863 -3.774 572 2HB PRO 70 HB3 PRO 70 5.423 11.827 -4.045 573 1HG PRO 70 HG2 PRO 70 3.783 10.068 -5.228 574 2HG PRO 70 HG3 PRO 70 5.402 9.595 -4.678 575 1HD PRO 70 HD2 PRO 70 2.740 9.139 -3.356 576 2HD PRO 70 HD3 PRO 70 4.095 8.012 -3.584 577 H ALA 71 HN ALA 71 4.438 13.406 -2.368 578 HA ALA 71 HA ALA 71 3.469 14.089 0.180 579 1HB ALA 71 HB3 ALA 71 4.361 15.723 -1.426 580 2HB ALA 71 HB1 ALA 71 2.934 15.496 -2.442 581 3HB ALA 71 HB2 ALA 71 2.771 16.195 -0.826 582 H GLU 72 HN GLU 72 1.437 14.229 1.061 583 HA GLU 72 HA GLU 72 -0.498 12.399 0.487 584 1HB GLU 72 HB2 GLU 72 -0.262 13.881 2.552 585 2HB GLU 72 HB3 GLU 72 -1.189 15.089 1.676 586 1HG GLU 72 HG2 GLU 72 -2.865 14.073 2.839 587 2HG GLU 72 HG3 GLU 72 -2.889 13.096 1.374 588 H LEU 73 HN LEU 73 -1.387 12.092 -1.435 589 HA LEU 73 HA LEU 73 -2.144 14.267 -3.173 590 1HB LEU 73 HB2 LEU 73 -1.085 12.013 -3.840 591 2HB LEU 73 HB3 LEU 73 -2.685 11.329 -3.624 592 HG LEU 73 HG LEU 73 -3.568 12.461 -5.477 593 1HD1 LEU 73 HD13 LEU 73 -1.201 14.304 -5.257 594 2HD1 LEU 73 HD11 LEU 73 -2.207 14.220 -6.703 595 3HD1 LEU 73 HD12 LEU 73 -2.918 14.703 -5.164 596 1HD2 LEU 73 HD23 LEU 73 -1.477 10.787 -5.804 597 2HD2 LEU 73 HD21 LEU 73 -2.431 11.452 -7.131 598 3HD2 LEU 73 HD22 LEU 73 -0.898 12.204 -6.683 599 H GLY 74 HN GLY 74 -3.630 14.544 -0.929 600 1HA GLY 74 HA1 GLY 74 -6.345 13.587 -1.652 601 2HA GLY 74 HA2 GLY 74 -5.836 14.019 -0.027 602 H VAL 75 HN VAL 75 -5.325 15.714 -3.099 603 HA VAL 75 HA VAL 75 -6.859 18.011 -2.050 604 HB VAL 75 HB VAL 75 -5.294 19.504 -3.283 605 1HG1 VAL 75 HG21 VAL 75 -4.986 19.128 -0.898 606 2HG1 VAL 75 HG22 VAL 75 -3.982 17.714 -1.236 607 3HG1 VAL 75 HG23 VAL 75 -3.430 19.322 -1.707 608 1HG2 VAL 75 HG13 VAL 75 -3.806 16.934 -3.797 609 2HG2 VAL 75 HG11 VAL 75 -4.398 18.104 -4.978 610 3HG2 VAL 75 HG12 VAL 75 -3.059 18.527 -3.911 611 HA PRO 76 HA PRO 76 -9.188 18.047 -5.835 612 1HB PRO 76 HB2 PRO 76 -8.858 20.949 -6.179 613 2HB PRO 76 HB3 PRO 76 -10.310 20.020 -5.806 614 1HG PRO 76 HG2 PRO 76 -9.118 21.620 -3.994 615 2HG PRO 76 HG3 PRO 76 -9.952 20.127 -3.532 616 1HD PRO 76 HD2 PRO 76 -7.017 20.640 -3.856 617 2HD PRO 76 HD3 PRO 76 -7.868 19.724 -2.595 618 H THR 77 HN THR 77 -8.217 17.138 -7.568 619 HA THR 77 HA THR 77 -6.726 18.797 -9.403 620 HB THR 77 HB THR 77 -5.015 17.959 -7.701 621 HG1 THR 77 HG1 THR 77 -4.264 18.603 -9.684 622 1HG2 THR 77 HG22 THR 77 -5.979 15.621 -7.507 623 2HG2 THR 77 HG21 THR 77 -5.208 15.285 -9.057 624 3HG2 THR 77 HG23 THR 77 -4.228 15.756 -7.669 625 H THR 78 HN THR 78 -5.993 17.384 -11.335 626 HA THR 78 HA THR 78 -8.005 15.295 -11.889 627 HB THR 78 HB THR 78 -7.895 16.186 -14.300 628 HG1 THR 78 HG1 THR 78 -6.152 17.564 -14.160 629 1HG2 THR 78 HG22 THR 78 -9.804 16.582 -12.692 630 2HG2 THR 78 HG21 THR 78 -9.085 18.161 -12.377 631 3HG2 THR 78 HG23 THR 78 -9.624 17.746 -14.004 No H/Q in entry = 631 Start of MODEL 5 1 1H MET 1 HT1 MET 1 -26.157 6.267 10.454 2 2H MET 1 HT3 MET 1 -25.346 5.999 11.950 3 3H MET 1 HT2 MET 1 -24.835 7.271 10.908 4 HA MET 1 HA MET 1 -23.530 5.975 9.810 5 1HB MET 1 HB2 MET 1 -24.399 4.215 12.079 6 2HB MET 1 HB3 MET 1 -23.330 3.550 10.851 7 1HG MET 1 HG2 MET 1 -21.749 5.411 11.286 8 2HG MET 1 HG3 MET 1 -22.789 5.944 12.601 9 1HE MET 1 HE1 MET 1 -22.737 5.039 14.954 10 2HE MET 1 HE2 MET 1 -23.682 3.692 14.314 11 3HE MET 1 HE3 MET 1 -22.301 3.378 15.366 12 H ARG 2 HN ARG 2 -23.362 4.526 8.086 13 HA ARG 2 HA ARG 2 -25.729 2.942 7.366 14 1HB ARG 2 HB2 ARG 2 -24.574 5.245 5.816 15 2HB ARG 2 HB3 ARG 2 -25.278 3.898 4.935 16 1HG ARG 2 HG2 ARG 2 -26.669 5.678 6.931 17 2HG ARG 2 HG3 ARG 2 -26.914 5.630 5.182 18 1HD ARG 2 HD2 ARG 2 -27.790 3.690 7.274 19 2HD ARG 2 HD3 ARG 2 -28.709 4.396 5.946 20 HE ARG 2 HE ARG 2 -26.849 2.855 4.688 21 1HH1 ARG 2 HH12 ARG 2 -29.247 2.230 7.163 22 2HH1 ARG 2 HH11 ARG 2 -29.477 0.568 6.690 23 1HH2 ARG 2 HH22 ARG 2 -27.130 0.715 4.074 24 2HH2 ARG 2 HH21 ARG 2 -28.259 -0.303 4.929 25 H SER 3 HN SER 3 -24.331 1.197 7.978 26 HA SER 3 HA SER 3 -23.050 -0.606 7.503 27 1HB SER 3 HB2 SER 3 -22.754 0.463 4.681 28 2HB SER 3 HB3 SER 3 -22.599 -1.203 5.224 29 HG SER 3 HG SER 3 -24.753 -1.365 5.474 30 H SER 4 HN SER 4 -21.365 0.028 8.905 31 HA SER 4 HA SER 4 -19.180 1.644 7.931 32 1HB SER 4 HB2 SER 4 -19.498 0.027 10.476 33 2HB SER 4 HB3 SER 4 -18.118 1.071 10.120 34 HG SER 4 HG SER 4 -19.782 2.082 11.403 35 H ALA 5 HN ALA 5 -19.123 0.036 6.029 36 HA ALA 5 HA ALA 5 -16.740 -1.579 6.329 37 1HB ALA 5 HB1 ALA 5 -19.357 -2.859 5.530 38 2HB ALA 5 HB2 ALA 5 -17.771 -3.609 5.330 39 3HB ALA 5 HB3 ALA 5 -18.375 -3.238 6.946 40 H LYS 6 HN LYS 6 -16.578 0.576 5.016 41 HA LYS 6 HA LYS 6 -17.413 0.372 2.231 42 1HB LYS 6 HB2 LYS 6 -15.600 2.456 3.427 43 2HB LYS 6 HB3 LYS 6 -16.551 2.558 1.952 44 1HG LYS 6 HG2 LYS 6 -17.602 2.547 4.773 45 2HG LYS 6 HG3 LYS 6 -17.540 3.900 3.656 46 1HD LYS 6 HD2 LYS 6 -19.072 2.690 2.135 47 2HD LYS 6 HD3 LYS 6 -19.213 1.415 3.347 48 1HE LYS 6 HE2 LYS 6 -21.102 2.933 3.511 49 2HE LYS 6 HE3 LYS 6 -20.099 3.046 4.955 50 1HZ LYS 6 HZ3 LYS 6 -20.006 4.956 2.674 51 2HZ LYS 6 HZ2 LYS 6 -20.834 5.213 4.148 52 3HZ LYS 6 HZ1 LYS 6 -19.136 5.081 4.136 53 H GLN 7 HN GLN 7 -15.848 0.345 0.476 54 HA GLN 7 HA GLN 7 -13.486 -1.225 1.085 55 1HB GLN 7 HB2 GLN 7 -14.938 -1.484 -1.011 56 2HB GLN 7 HB3 GLN 7 -14.111 -0.054 -1.619 57 1HG GLN 7 HG2 GLN 7 -12.589 -1.483 -2.417 58 2HG GLN 7 HG3 GLN 7 -12.025 -1.591 -0.752 59 1HE2 GLN 7 HE22 GLN 7 -13.155 -4.874 -0.237 60 2HE2 GLN 7 HE21 GLN 7 -12.619 -3.410 0.514 61 H GLU 8 HN GLU 8 -14.182 2.041 1.147 62 HA GLU 8 HA GLU 8 -11.705 3.146 0.242 63 1HB GLU 8 HB2 GLU 8 -13.394 4.474 2.352 64 2HB GLU 8 HB3 GLU 8 -12.495 5.199 1.026 65 1HG GLU 8 HG2 GLU 8 -15.010 3.570 0.696 66 2HG GLU 8 HG3 GLU 8 -14.951 5.323 0.772 67 H GLU 9 HN GLU 9 -12.299 1.070 2.675 68 HA GLU 9 HA GLU 9 -10.517 2.199 4.702 69 1HB GLU 9 HB2 GLU 9 -12.073 -0.406 4.641 70 2HB GLU 9 HB3 GLU 9 -11.094 0.157 5.993 71 1HG GLU 9 HG2 GLU 9 -12.552 1.942 6.454 72 2HG GLU 9 HG3 GLU 9 -13.379 1.782 4.908 73 H LEU 10 HN LEU 10 -10.717 -0.353 2.305 74 HA LEU 10 HA LEU 10 -8.187 -1.579 2.820 75 1HB LEU 10 HB2 LEU 10 -9.742 -2.870 1.599 76 2HB LEU 10 HB3 LEU 10 -10.090 -1.564 0.485 77 HG LEU 10 HG LEU 10 -7.817 -1.849 -0.505 78 1HD1 LEU 10 HD13 LEU 10 -7.624 -3.892 1.638 79 2HD1 LEU 10 HD11 LEU 10 -6.880 -4.249 0.079 80 3HD1 LEU 10 HD12 LEU 10 -6.394 -2.814 0.979 81 1HD2 LEU 10 HD23 LEU 10 -9.756 -2.895 -1.531 82 2HD2 LEU 10 HD21 LEU 10 -8.326 -3.909 -1.704 83 3HD2 LEU 10 HD22 LEU 10 -9.553 -4.314 -0.503 84 H VAL 11 HN VAL 11 -9.322 1.127 0.858 85 HA VAL 11 HA VAL 11 -6.842 1.621 -0.490 86 HB VAL 11 HB VAL 11 -9.241 3.401 0.012 87 1HG1 VAL 11 HG13 VAL 11 -6.605 4.041 -1.207 88 2HG1 VAL 11 HG11 VAL 11 -8.049 4.660 -2.013 89 3HG1 VAL 11 HG12 VAL 11 -7.736 5.071 -0.327 90 1HG2 VAL 11 HG23 VAL 11 -8.577 1.401 -1.984 91 2HG2 VAL 11 HG21 VAL 11 -10.117 2.184 -1.637 92 3HG2 VAL 11 HG22 VAL 11 -8.955 2.961 -2.711 93 H LYS 12 HN LYS 12 -8.461 3.368 2.209 94 HA LYS 12 HA LYS 12 -6.371 5.040 2.930 95 1HB LYS 12 HB2 LYS 12 -8.359 5.608 3.928 96 2HB LYS 12 HB3 LYS 12 -8.740 3.954 4.373 97 1HG LYS 12 HG2 LYS 12 -6.431 5.251 5.722 98 2HG LYS 12 HG3 LYS 12 -8.060 5.761 6.167 99 1HD LYS 12 HD2 LYS 12 -8.635 3.699 7.005 100 2HD LYS 12 HD3 LYS 12 -7.477 2.860 5.977 101 1HE LYS 12 HE2 LYS 12 -6.913 2.879 8.425 102 2HE LYS 12 HE3 LYS 12 -5.648 3.493 7.362 103 1HZ LYS 12 HZ2 LYS 12 -7.524 5.466 8.407 104 2HZ LYS 12 HZ1 LYS 12 -6.465 4.760 9.541 105 3HZ LYS 12 HZ3 LYS 12 -5.834 5.567 8.179 106 H ALA 13 HN ALA 13 -6.889 1.683 3.870 107 HA ALA 13 HA ALA 13 -4.756 1.509 5.753 108 1HB ALA 13 HB3 ALA 13 -6.141 -0.617 4.122 109 2HB ALA 13 HB1 ALA 13 -4.929 -0.950 5.357 110 3HB ALA 13 HB2 ALA 13 -6.449 -0.177 5.801 111 H PHE 14 HN PHE 14 -5.031 0.766 2.293 112 HA PHE 14 HA PHE 14 -2.489 -0.188 1.745 113 1HB PHE 14 HB2 PHE 14 -4.517 -0.003 0.179 114 2HB PHE 14 HB3 PHE 14 -3.994 1.639 -0.148 115 HD1 PHE 14 HD2 PHE 14 -3.206 -1.912 -0.518 116 HD2 PHE 14 HD1 PHE 14 -2.039 2.062 -1.477 117 HE1 PHE 14 HE2 PHE 14 -1.659 -2.776 -2.217 118 HE2 PHE 14 HE1 PHE 14 -0.491 1.200 -3.185 119 HZ PHE 14 HZ PHE 14 -0.308 -1.217 -3.543 120 H LYS 15 HN LYS 15 -3.570 3.220 1.471 121 HA LYS 15 HA LYS 15 -1.139 4.372 0.811 122 1HB LYS 15 HB2 LYS 15 -3.078 5.769 2.673 123 2HB LYS 15 HB3 LYS 15 -2.100 6.471 1.393 124 1HG LYS 15 HG2 LYS 15 -4.280 4.544 0.735 125 2HG LYS 15 HG3 LYS 15 -4.669 6.205 1.119 126 1HD LYS 15 HD2 LYS 15 -2.601 6.411 -0.718 127 2HD LYS 15 HD3 LYS 15 -3.525 5.023 -1.292 128 1HE LYS 15 HE2 LYS 15 -4.250 7.190 -2.300 129 2HE LYS 15 HE3 LYS 15 -5.533 6.339 -1.433 130 1HZ LYS 15 HZ1 LYS 15 -3.932 8.492 -0.163 131 2HZ LYS 15 HZ3 LYS 15 -5.357 8.807 -1.033 132 3HZ LYS 15 HZ2 LYS 15 -5.415 7.838 0.359 133 H ALA 16 HN ALA 16 -2.499 3.842 4.059 134 HA ALA 16 HA ALA 16 -0.459 5.031 5.567 135 1HB ALA 16 HB3 ALA 16 -2.676 4.471 6.471 136 2HB ALA 16 HB1 ALA 16 -2.268 2.756 6.393 137 3HB ALA 16 HB2 ALA 16 -1.373 3.828 7.472 138 H LEU 17 HN LEU 17 -0.899 1.587 4.692 139 HA LEU 17 HA LEU 17 1.290 0.495 5.993 140 1HB LEU 17 HB2 LEU 17 0.047 -0.253 3.344 141 2HB LEU 17 HB3 LEU 17 1.269 -1.228 4.129 142 HG LEU 17 HG LEU 17 -1.571 -0.772 4.925 143 1HD1 LEU 17 HD11 LEU 17 0.172 -3.205 4.666 144 2HD1 LEU 17 HD12 LEU 17 -1.508 -3.216 5.196 145 3HD1 LEU 17 HD13 LEU 17 -1.104 -2.689 3.563 146 1HD2 LEU 17 HD23 LEU 17 0.680 -1.507 6.768 147 2HD2 LEU 17 HD21 LEU 17 -0.573 -0.287 6.993 148 3HD2 LEU 17 HD22 LEU 17 -0.983 -1.999 7.076 149 H LEU 18 HN LEU 18 1.176 1.959 2.759 150 HA LEU 18 HA LEU 18 3.926 1.462 2.141 151 1HB LEU 18 HB2 LEU 18 2.107 3.585 1.004 152 2HB LEU 18 HB3 LEU 18 3.609 3.022 0.299 153 HG LEU 18 HG LEU 18 1.312 1.134 0.732 154 1HD1 LEU 18 HD12 LEU 18 1.508 3.355 -1.155 155 2HD1 LEU 18 HD13 LEU 18 1.162 1.795 -1.899 156 3HD1 LEU 18 HD11 LEU 18 0.107 2.428 -0.636 157 1HD2 LEU 18 HD23 LEU 18 3.539 0.209 0.205 158 2HD2 LEU 18 HD21 LEU 18 2.352 -0.098 -1.063 159 3HD2 LEU 18 HD22 LEU 18 3.550 1.173 -1.276 160 H LYS 19 HN LYS 19 2.208 4.405 3.182 161 HA LYS 19 HA LYS 19 4.422 6.099 3.259 162 1HB LYS 19 HB2 LYS 19 1.803 6.210 4.755 163 2HB LYS 19 HB3 LYS 19 2.992 7.508 4.791 164 1HG LYS 19 HG2 LYS 19 2.807 7.819 2.404 165 2HG LYS 19 HG3 LYS 19 1.715 6.434 2.272 166 1HD LYS 19 HD2 LYS 19 0.423 8.461 2.202 167 2HD LYS 19 HD3 LYS 19 0.101 7.642 3.733 168 1HE LYS 19 HE2 LYS 19 1.286 9.209 4.970 169 2HE LYS 19 HE3 LYS 19 2.233 9.737 3.585 170 1HZ LYS 19 HZ3 LYS 19 -0.497 10.246 3.095 171 2HZ LYS 19 HZ2 LYS 19 -0.069 10.891 4.612 172 3HZ LYS 19 HZ1 LYS 19 0.792 11.355 3.224 173 H GLU 20 HN GLU 20 3.588 3.591 5.475 174 HA GLU 20 HA GLU 20 4.934 4.617 7.792 175 1HB GLU 20 HB2 GLU 20 3.872 1.938 6.953 176 2HB GLU 20 HB3 GLU 20 4.990 2.013 8.304 177 1HG GLU 20 HG2 GLU 20 3.398 3.768 9.279 178 2HG GLU 20 HG3 GLU 20 2.246 3.186 8.081 179 H GLU 21 HN GLU 21 6.021 3.190 4.839 180 HA GLU 21 HA GLU 21 8.042 2.536 4.045 181 1HB GLU 21 HB2 GLU 21 9.363 3.807 6.444 182 2HB GLU 21 HB3 GLU 21 10.003 3.599 4.824 183 1HG GLU 21 HG2 GLU 21 8.286 5.217 4.010 184 2HG GLU 21 HG3 GLU 21 7.856 5.519 5.690 185 H LYS 22 HN LYS 22 7.150 0.421 4.639 186 HA LYS 22 HA LYS 22 8.803 -1.002 6.627 187 1HB LYS 22 HB2 LYS 22 6.545 -0.389 7.516 188 2HB LYS 22 HB3 LYS 22 5.812 -1.296 6.210 189 1HG LYS 22 HG2 LYS 22 7.016 -3.329 7.115 190 2HG LYS 22 HG3 LYS 22 7.399 -2.352 8.527 191 1HD LYS 22 HD2 LYS 22 4.568 -2.339 7.690 192 2HD LYS 22 HD3 LYS 22 5.175 -3.875 8.306 193 1HE LYS 22 HE2 LYS 22 4.179 -2.574 10.091 194 2HE LYS 22 HE3 LYS 22 5.912 -2.754 10.360 195 1HZ LYS 22 HZ3 LYS 22 6.166 -0.484 9.362 196 2HZ LYS 22 HZ2 LYS 22 4.469 -0.342 9.388 197 3HZ LYS 22 HZ1 LYS 22 5.331 -0.528 10.841 198 H PHE 23 HN PHE 23 6.408 -1.488 4.053 199 HA PHE 23 HA PHE 23 7.431 -4.131 3.429 200 1HB PHE 23 HB2 PHE 23 5.239 -2.569 2.049 201 2HB PHE 23 HB3 PHE 23 5.476 -4.324 2.040 202 HD1 PHE 23 HD2 PHE 23 5.334 -5.542 4.297 203 HD2 PHE 23 HD1 PHE 23 3.912 -1.573 3.710 204 HE1 PHE 23 HE2 PHE 23 3.973 -5.737 6.328 205 HE2 PHE 23 HE1 PHE 23 2.547 -1.768 5.748 206 HZ PHE 23 HZ PHE 23 2.565 -3.853 7.053 207 H SER 24 HN SER 24 8.700 -4.654 1.754 208 HA SER 24 HA SER 24 9.575 -2.529 -0.072 209 1HB SER 24 HB2 SER 24 11.201 -3.933 1.332 210 2HB SER 24 HB3 SER 24 10.853 -5.247 0.217 211 HG SER 24 HG SER 24 12.269 -2.869 -0.192 212 H SER 25 HN SER 25 7.894 -5.574 -0.070 213 HA SER 25 HA SER 25 7.634 -5.404 -3.012 214 1HB SER 25 HB2 SER 25 7.244 -8.010 -2.748 215 2HB SER 25 HB3 SER 25 8.868 -7.345 -2.869 216 HG SER 25 HG SER 25 8.201 -7.320 -0.297 217 H GLN 26 HN GLN 26 5.667 -6.421 -3.859 218 HA GLN 26 HA GLN 26 3.334 -5.349 -2.697 219 1HB GLN 26 HB2 GLN 26 3.498 -7.530 -4.778 220 2HB GLN 26 HB3 GLN 26 2.178 -6.437 -4.495 221 1HG GLN 26 HG2 GLN 26 3.040 -5.279 -6.195 222 2HG GLN 26 HG3 GLN 26 4.143 -4.659 -4.971 223 1HE2 GLN 26 HE22 GLN 26 5.765 -6.243 -8.093 224 2HE2 GLN 26 HE21 GLN 26 4.262 -5.392 -7.969 225 H GLY 27 HN GLY 27 4.306 -8.767 -3.062 226 1HA GLY 27 HA1 GLY 27 2.259 -10.078 -1.813 227 2HA GLY 27 HA2 GLY 27 3.922 -10.617 -1.726 228 H GLU 28 HN GLU 28 4.870 -8.379 -0.124 229 HA GLU 28 HA GLU 28 4.321 -9.366 2.473 230 1HB GLU 28 HB2 GLU 28 5.615 -6.773 1.593 231 2HB GLU 28 HB3 GLU 28 5.591 -7.359 3.250 232 1HG GLU 28 HG2 GLU 28 6.894 -9.290 2.644 233 2HG GLU 28 HG3 GLU 28 6.852 -8.823 0.945 234 H ILE 29 HN ILE 29 3.182 -6.451 0.752 235 HA ILE 29 HA ILE 29 1.581 -5.582 2.989 236 HB ILE 29 HB ILE 29 1.934 -3.650 2.004 237 1HG1 ILE 29 HG12 ILE 29 -0.073 -4.523 -0.078 238 2HG1 ILE 29 HG13 ILE 29 -0.456 -3.844 1.507 239 1HG2 ILE 29 HG21 ILE 29 3.613 -4.640 0.503 240 2HG2 ILE 29 HG22 ILE 29 2.347 -4.900 -0.694 241 3HG2 ILE 29 HG23 ILE 29 2.774 -3.268 -0.207 242 1HD1 ILE 29 HD11 ILE 29 1.187 -1.934 0.532 243 2HD1 ILE 29 HD12 ILE 29 0.439 -2.518 -0.957 244 3HD1 ILE 29 HD13 ILE 29 -0.566 -1.921 0.364 245 H VAL 30 HN VAL 30 1.125 -7.717 0.305 246 HA VAL 30 HA VAL 30 -1.712 -7.733 0.129 247 HB VAL 30 HB VAL 30 0.254 -9.998 -0.335 248 1HG1 VAL 30 HG11 VAL 30 -2.704 -9.844 -0.651 249 2HG1 VAL 30 HG12 VAL 30 -1.761 -10.803 -1.790 250 3HG1 VAL 30 HG13 VAL 30 -1.700 -11.172 -0.068 251 1HG2 VAL 30 HG23 VAL 30 0.248 -7.846 -1.810 252 2HG2 VAL 30 HG21 VAL 30 0.322 -9.433 -2.565 253 3HG2 VAL 30 HG22 VAL 30 -1.202 -8.559 -2.500 254 H ALA 31 HN ALA 31 0.583 -9.676 2.036 255 HA ALA 31 HA ALA 31 -1.366 -11.128 3.512 256 1HB ALA 31 HB3 ALA 31 0.905 -11.954 3.241 257 2HB ALA 31 HB1 ALA 31 1.538 -10.582 4.156 258 3HB ALA 31 HB2 ALA 31 0.514 -11.783 4.955 259 H ALA 32 HN ALA 32 0.521 -8.193 4.235 260 HA ALA 32 HA ALA 32 -0.152 -7.764 6.865 261 1HB ALA 32 HB3 ALA 32 1.476 -6.423 5.569 262 2HB ALA 32 HB1 ALA 32 0.128 -5.580 4.801 263 3HB ALA 32 HB2 ALA 32 0.380 -5.439 6.540 264 H LEU 33 HN LEU 33 -2.037 -6.685 4.020 265 HA LEU 33 HA LEU 33 -4.067 -5.428 5.569 266 1HB LEU 33 HB2 LEU 33 -4.199 -6.385 2.711 267 2HB LEU 33 HB3 LEU 33 -5.360 -5.315 3.489 268 HG LEU 33 HG LEU 33 -2.479 -4.505 3.422 269 1HD1 LEU 33 HD12 LEU 33 -2.973 -5.193 1.123 270 2HD1 LEU 33 HD13 LEU 33 -4.380 -4.128 1.119 271 3HD1 LEU 33 HD11 LEU 33 -2.763 -3.448 1.266 272 1HD2 LEU 33 HD21 LEU 33 -5.112 -3.040 3.376 273 2HD2 LEU 33 HD22 LEU 33 -3.960 -3.134 4.709 274 3HD2 LEU 33 HD23 LEU 33 -3.536 -2.261 3.238 275 H GLN 34 HN GLN 34 -3.586 -8.743 4.520 276 HA GLN 34 HA GLN 34 -6.274 -9.599 5.028 277 1HB GLN 34 HB2 GLN 34 -3.689 -11.120 4.699 278 2HB GLN 34 HB3 GLN 34 -5.206 -11.920 5.095 279 1HG GLN 34 HG2 GLN 34 -6.211 -10.959 3.050 280 2HG GLN 34 HG3 GLN 34 -4.649 -10.264 2.637 281 1HE2 GLN 34 HE22 GLN 34 -3.525 -13.145 1.083 282 2HE2 GLN 34 HE21 GLN 34 -3.375 -11.448 1.373 283 H GLU 35 HN GLU 35 -3.444 -9.091 6.992 284 HA GLU 35 HA GLU 35 -4.499 -10.431 9.337 285 1HB GLU 35 HB2 GLU 35 -2.182 -8.495 9.040 286 2HB GLU 35 HB3 GLU 35 -2.582 -9.374 10.508 287 1HG GLU 35 HG2 GLU 35 -2.084 -11.478 9.451 288 2HG GLU 35 HG3 GLU 35 -1.815 -10.679 7.903 289 H GLN 36 HN GLN 36 -4.508 -7.226 7.941 290 HA GLN 36 HA GLN 36 -5.275 -5.716 10.204 291 1HB GLN 36 HB2 GLN 36 -5.549 -5.238 7.236 292 2HB GLN 36 HB3 GLN 36 -6.079 -4.064 8.422 293 1HG GLN 36 HG2 GLN 36 -3.481 -4.708 9.194 294 2HG GLN 36 HG3 GLN 36 -3.415 -4.640 7.440 295 1HE2 GLN 36 HE22 GLN 36 -3.185 -1.286 9.425 296 2HE2 GLN 36 HE21 GLN 36 -2.818 -2.869 10.012 297 H GLY 37 HN GLY 37 -7.306 -6.685 7.417 298 1HA GLY 37 HA1 GLY 37 -9.449 -7.772 8.736 299 2HA GLY 37 HA2 GLY 37 -9.731 -6.041 8.831 300 H PHE 38 HN PHE 38 -8.161 -7.541 6.084 301 HA PHE 38 HA PHE 38 -10.566 -6.999 4.435 302 1HB PHE 38 HB2 PHE 38 -7.668 -6.772 3.570 303 2HB PHE 38 HB3 PHE 38 -9.096 -6.358 2.622 304 HD1 PHE 38 HD2 PHE 38 -10.565 -4.498 3.377 305 HD2 PHE 38 HD1 PHE 38 -6.784 -5.226 5.176 306 HE1 PHE 38 HE2 PHE 38 -10.587 -2.243 4.358 307 HE2 PHE 38 HE1 PHE 38 -6.796 -2.986 6.155 308 HZ PHE 38 HZ PHE 38 -8.695 -1.489 5.744 309 H ASP 39 HN ASP 39 -11.189 -8.589 2.998 310 HA ASP 39 HA ASP 39 -9.619 -11.054 2.908 311 1HB ASP 39 HB2 ASP 39 -11.490 -11.134 4.640 312 2HB ASP 39 HB3 ASP 39 -12.623 -11.006 3.301 313 H ASN 40 HN ASN 40 -9.393 -11.795 1.045 314 HA ASN 40 HA ASN 40 -9.922 -12.646 -1.047 315 1HB ASN 40 HB2 ASN 40 -12.396 -11.944 -0.556 316 2HB ASN 40 HB3 ASN 40 -12.018 -10.545 -1.555 317 1HD2 ASN 40 HD22 ASN 40 -11.885 -14.246 -3.317 318 2HD2 ASN 40 HD21 ASN 40 -11.310 -14.032 -1.702 319 H ILE 41 HN ILE 41 -7.829 -11.170 -0.535 320 HA ILE 41 HA ILE 41 -7.621 -9.273 -2.787 321 HB ILE 41 HB ILE 41 -7.167 -8.757 -0.070 322 1HG1 ILE 41 HG12 ILE 41 -6.175 -6.600 -1.057 323 2HG1 ILE 41 HG13 ILE 41 -6.524 -7.311 -2.628 324 1HG2 ILE 41 HG23 ILE 41 -4.962 -9.906 -0.280 325 2HG2 ILE 41 HG21 ILE 41 -4.501 -8.682 -1.468 326 3HG2 ILE 41 HG22 ILE 41 -4.863 -8.208 0.188 327 1HD1 ILE 41 HD13 ILE 41 -8.900 -7.648 -1.568 328 2HD1 ILE 41 HD11 ILE 41 -8.370 -6.335 -0.518 329 3HD1 ILE 41 HD12 ILE 41 -8.423 -6.099 -2.264 330 H ASN 42 HN ASN 42 -5.430 -9.156 -3.745 331 HA ASN 42 HA ASN 42 -3.705 -11.470 -3.397 332 1HB ASN 42 HB2 ASN 42 -3.797 -12.043 -5.854 333 2HB ASN 42 HB3 ASN 42 -5.233 -12.461 -4.941 334 1HD2 ASN 42 HD22 ASN 42 -7.200 -10.939 -7.341 335 2HD2 ASN 42 HD21 ASN 42 -6.873 -12.297 -6.323 336 H GLN 43 HN GLN 43 -1.839 -11.378 -5.045 337 HA GLN 43 HA GLN 43 -0.450 -8.977 -4.689 338 1HB GLN 43 HB2 GLN 43 0.394 -11.409 -5.238 339 2HB GLN 43 HB3 GLN 43 0.341 -10.841 -6.903 340 1HG GLN 43 HG2 GLN 43 1.849 -9.008 -6.337 341 2HG GLN 43 HG3 GLN 43 1.874 -9.533 -4.656 342 1HE2 GLN 43 HE22 GLN 43 3.841 -12.462 -5.383 343 2HE2 GLN 43 HE21 GLN 43 2.434 -11.987 -4.494 344 H SER 44 HN SER 44 -2.421 -10.028 -7.419 345 HA SER 44 HA SER 44 -1.566 -8.089 -9.286 346 1HB SER 44 HB2 SER 44 -4.303 -9.389 -9.125 347 2HB SER 44 HB3 SER 44 -3.522 -8.722 -10.550 348 HG SER 44 HG SER 44 -2.766 -11.035 -9.078 349 H LYS 45 HN LYS 45 -4.087 -8.058 -6.794 350 HA LYS 45 HA LYS 45 -5.199 -5.523 -7.473 351 1HB LYS 45 HB2 LYS 45 -5.923 -7.528 -5.756 352 2HB LYS 45 HB3 LYS 45 -5.285 -6.350 -4.621 353 1HG LYS 45 HG2 LYS 45 -7.297 -5.405 -4.652 354 2HG LYS 45 HG3 LYS 45 -6.916 -4.839 -6.278 355 1HD LYS 45 HD2 LYS 45 -8.046 -6.635 -7.293 356 2HD LYS 45 HD3 LYS 45 -8.093 -7.565 -5.794 357 1HE LYS 45 HE2 LYS 45 -9.564 -5.731 -4.853 358 2HE LYS 45 HE3 LYS 45 -9.681 -5.098 -6.494 359 1HZ LYS 45 HZ2 LYS 45 -10.273 -7.717 -6.815 360 2HZ LYS 45 HZ1 LYS 45 -10.965 -7.377 -5.294 361 3HZ LYS 45 HZ3 LYS 45 -11.420 -6.468 -6.662 362 H VAL 46 HN VAL 46 -2.589 -6.565 -5.360 363 HA VAL 46 HA VAL 46 -2.110 -4.030 -4.133 364 HB VAL 46 HB VAL 46 -0.580 -6.613 -4.209 365 1HG1 VAL 46 HG13 VAL 46 1.097 -4.837 -4.101 366 2HG1 VAL 46 HG11 VAL 46 0.239 -4.106 -2.745 367 3HG1 VAL 46 HG12 VAL 46 0.971 -5.697 -2.575 368 1HG2 VAL 46 HG23 VAL 46 -2.310 -5.146 -2.264 369 2HG2 VAL 46 HG21 VAL 46 -2.363 -6.835 -2.757 370 3HG2 VAL 46 HG22 VAL 46 -1.095 -6.270 -1.669 371 H SER 47 HN SER 47 -0.620 -5.734 -6.889 372 HA SER 47 HA SER 47 1.360 -3.742 -7.382 373 1HB SER 47 HB2 SER 47 1.403 -4.854 -9.710 374 2HB SER 47 HB3 SER 47 1.833 -5.846 -8.318 375 HG SER 47 HG SER 47 -0.094 -6.875 -8.428 376 H ARG 48 HN ARG 48 -1.980 -4.205 -8.434 377 HA ARG 48 HA ARG 48 -1.996 -2.132 -10.405 378 1HB ARG 48 HB2 ARG 48 -4.144 -3.627 -8.928 379 2HB ARG 48 HB3 ARG 48 -4.560 -2.227 -9.906 380 1HG ARG 48 HG2 ARG 48 -3.153 -4.703 -10.890 381 2HG ARG 48 HG3 ARG 48 -4.849 -4.308 -11.135 382 1HD ARG 48 HD2 ARG 48 -3.786 -2.082 -12.143 383 2HD ARG 48 HD3 ARG 48 -2.421 -3.163 -12.414 384 HE ARG 48 HE ARG 48 -4.910 -3.127 -13.839 385 1HH1 ARG 48 HH12 ARG 48 -2.248 -5.186 -12.834 386 2HH1 ARG 48 HH11 ARG 48 -2.472 -6.324 -14.134 387 1HH2 ARG 48 HH22 ARG 48 -5.211 -4.611 -15.542 388 2HH2 ARG 48 HH21 ARG 48 -4.159 -5.998 -15.687 389 H MET 49 HN MET 49 -2.916 -2.271 -6.978 390 HA MET 49 HA MET 49 -3.746 0.403 -6.699 391 1HB MET 49 HB2 MET 49 -2.820 -1.674 -4.763 392 2HB MET 49 HB3 MET 49 -3.151 -0.034 -4.231 393 1HG MET 49 HG2 MET 49 -4.964 -2.133 -4.588 394 2HG MET 49 HG3 MET 49 -5.295 -0.481 -4.103 395 1HE MET 49 HE1 MET 49 -7.531 -0.371 -4.803 396 2HE MET 49 HE2 MET 49 -8.150 -0.361 -6.452 397 3HE MET 49 HE3 MET 49 -7.828 -1.894 -5.641 398 H LEU 50 HN LEU 50 -0.541 -1.094 -6.421 399 HA LEU 50 HA LEU 50 0.844 1.130 -5.346 400 1HB LEU 50 HB2 LEU 50 1.646 -1.336 -6.840 401 2HB LEU 50 HB3 LEU 50 2.823 -0.039 -6.712 402 HG LEU 50 HG LEU 50 1.497 -0.944 -4.211 403 1HD1 LEU 50 HD13 LEU 50 3.378 -2.598 -5.829 404 2HD1 LEU 50 HD11 LEU 50 3.473 -2.639 -4.071 405 3HD1 LEU 50 HD12 LEU 50 1.981 -3.100 -4.882 406 1HD2 LEU 50 HD21 LEU 50 4.148 0.184 -4.982 407 2HD2 LEU 50 HD22 LEU 50 2.963 0.783 -3.816 408 3HD2 LEU 50 HD23 LEU 50 3.926 -0.644 -3.443 409 H THR 51 HN THR 51 0.294 0.106 -8.708 410 HA THR 51 HA THR 51 1.684 2.295 -9.890 411 HB THR 51 HB THR 51 -0.513 0.746 -11.271 412 HG1 THR 51 HG1 THR 51 0.659 -0.884 -10.354 413 1HG2 THR 51 HG23 THR 51 2.149 1.767 -12.248 414 2HG2 THR 51 HG22 THR 51 0.970 0.866 -13.199 415 3HG2 THR 51 HG21 THR 51 0.571 2.472 -12.597 416 H LYS 52 HN LYS 52 -1.760 1.638 -9.269 417 HA LYS 52 HA LYS 52 -2.893 3.928 -10.384 418 1HB LYS 52 HB2 LYS 52 -4.173 1.952 -9.639 419 2HB LYS 52 HB3 LYS 52 -3.826 2.349 -7.965 420 1HG LYS 52 HG2 LYS 52 -5.148 4.464 -9.561 421 2HG LYS 52 HG3 LYS 52 -6.099 3.017 -9.226 422 1HD LYS 52 HD2 LYS 52 -5.186 3.417 -6.765 423 2HD LYS 52 HD3 LYS 52 -5.035 5.075 -7.344 424 1HE LYS 52 HE2 LYS 52 -7.179 4.784 -6.267 425 2HE LYS 52 HE3 LYS 52 -7.411 5.048 -7.994 426 1HZ LYS 52 HZ1 LYS 52 -7.190 2.275 -7.331 427 2HZ LYS 52 HZ3 LYS 52 -8.481 3.015 -6.522 428 3HZ LYS 52 HZ2 LYS 52 -8.383 3.081 -8.226 429 H PHE 53 HN PHE 53 -2.018 3.390 -6.953 430 HA PHE 53 HA PHE 53 -2.580 6.091 -6.208 431 1HB PHE 53 HB2 PHE 53 -1.169 3.846 -4.743 432 2HB PHE 53 HB3 PHE 53 -1.507 5.414 -4.024 433 HD1 PHE 53 HD1 PHE 53 -4.201 6.068 -4.739 434 HD2 PHE 53 HD2 PHE 53 -2.538 2.252 -3.844 435 HE1 PHE 53 HE1 PHE 53 -6.420 5.256 -4.045 436 HE2 PHE 53 HE2 PHE 53 -4.742 1.444 -3.150 437 HZ PHE 53 HZ PHE 53 -6.691 2.940 -3.257 438 H GLY 54 HN GLY 54 -0.052 4.984 -8.019 439 1HA GLY 54 HA1 GLY 54 1.948 5.922 -8.659 440 2HA GLY 54 HA2 GLY 54 1.419 7.385 -7.847 441 H ALA 55 HN ALA 55 2.329 4.121 -6.721 442 HA ALA 55 HA ALA 55 3.663 5.149 -4.412 443 1HB ALA 55 HB3 ALA 55 3.543 2.370 -5.570 444 2HB ALA 55 HB1 ALA 55 4.306 2.774 -4.030 445 3HB ALA 55 HB2 ALA 55 2.574 3.030 -4.251 446 H VAL 56 HN VAL 56 5.823 4.984 -3.852 447 HA VAL 56 HA VAL 56 7.787 4.749 -6.046 448 HB VAL 56 HB VAL 56 8.383 6.893 -5.782 449 1HG1 VAL 56 HG12 VAL 56 6.466 7.002 -3.463 450 2HG1 VAL 56 HG13 VAL 56 7.206 8.398 -4.245 451 3HG1 VAL 56 HG11 VAL 56 6.095 7.370 -5.153 452 1HG2 VAL 56 HG21 VAL 56 8.936 6.177 -2.911 453 2HG2 VAL 56 HG22 VAL 56 10.092 6.357 -4.237 454 3HG2 VAL 56 HG23 VAL 56 9.256 7.771 -3.586 455 H ARG 57 HN ARG 57 10.081 4.491 -5.041 456 HA ARG 57 HA ARG 57 9.910 2.774 -2.644 457 1HB ARG 57 HB2 ARG 57 12.142 2.390 -4.620 458 2HB ARG 57 HB3 ARG 57 11.456 1.246 -3.472 459 1HG ARG 57 HG2 ARG 57 9.360 1.311 -4.947 460 2HG ARG 57 HG3 ARG 57 10.387 2.089 -6.148 461 1HD ARG 57 HD2 ARG 57 10.210 -0.709 -5.367 462 2HD ARG 57 HD3 ARG 57 10.851 0.012 -6.839 463 HE ARG 57 HE ARG 57 12.949 0.427 -5.553 464 1HH1 ARG 57 HH12 ARG 57 10.767 -2.138 -4.560 465 2HH1 ARG 57 HH11 ARG 57 12.004 -3.073 -3.780 466 1HH2 ARG 57 HH22 ARG 57 14.582 -0.801 -4.523 467 2HH2 ARG 57 HH21 ARG 57 14.167 -2.314 -3.753 468 H THR 58 HN THR 58 10.927 3.527 -0.975 469 HA THR 58 HA THR 58 13.206 5.368 -1.335 470 HB THR 58 HB THR 58 10.532 6.032 -0.438 471 HG1 THR 58 HG1 THR 58 11.156 7.964 -1.046 472 1HG2 THR 58 HG22 THR 58 11.344 5.668 1.837 473 2HG2 THR 58 HG21 THR 58 12.652 6.816 1.538 474 3HG2 THR 58 HG23 THR 58 10.975 7.358 1.501 475 H ARG 59 HN ARG 59 14.517 5.637 0.595 476 HA ARG 59 HA ARG 59 14.857 3.139 2.011 477 1HB ARG 59 HB2 ARG 59 16.518 5.416 1.388 478 2HB ARG 59 HB3 ARG 59 16.588 5.104 3.115 479 1HG ARG 59 HG2 ARG 59 17.018 2.654 2.442 480 2HG ARG 59 HG3 ARG 59 17.389 3.315 0.850 481 1HD ARG 59 HD2 ARG 59 18.749 3.938 3.467 482 2HD ARG 59 HD3 ARG 59 19.438 3.106 2.082 483 HE ARG 59 HE ARG 59 18.964 5.980 2.365 484 1HH1 ARG 59 HH12 ARG 59 20.030 3.339 0.309 485 2HH1 ARG 59 HH11 ARG 59 20.838 4.392 -0.821 486 1HH2 ARG 59 HH22 ARG 59 20.014 7.352 0.877 487 2HH2 ARG 59 HH21 ARG 59 20.815 6.661 -0.508 488 H ASN 60 HN ASN 60 14.134 2.670 3.992 489 HA ASN 60 HA ASN 60 12.551 4.631 5.429 490 1HB ASN 60 HB2 ASN 60 11.925 2.720 6.898 491 2HB ASN 60 HB3 ASN 60 11.613 2.423 5.197 492 1HD2 ASN 60 HD22 ASN 60 13.008 -0.711 5.778 493 2HD2 ASN 60 HD21 ASN 60 11.568 0.213 5.531 494 H ALA 61 HN ALA 61 12.764 3.992 8.036 495 HA ALA 61 HA ALA 61 14.958 5.489 8.940 496 1HB ALA 61 HB2 ALA 61 12.853 5.289 10.169 497 2HB ALA 61 HB3 ALA 61 13.217 3.600 10.520 498 3HB ALA 61 HB1 ALA 61 14.235 4.877 11.183 499 H LYS 62 HN LYS 62 14.706 2.106 8.256 500 HA LYS 62 HA LYS 62 17.185 1.482 9.708 501 1HB LYS 62 HB2 LYS 62 15.243 -0.346 8.276 502 2HB LYS 62 HB3 LYS 62 16.680 -0.859 9.149 503 1HG LYS 62 HG2 LYS 62 14.620 0.747 10.597 504 2HG LYS 62 HG3 LYS 62 14.292 -0.950 10.246 505 1HD LYS 62 HD2 LYS 62 16.283 -1.631 11.427 506 2HD LYS 62 HD3 LYS 62 16.750 0.054 11.677 507 1HE LYS 62 HE2 LYS 62 15.609 -1.213 13.612 508 2HE LYS 62 HE3 LYS 62 15.079 0.424 13.241 509 1HZ LYS 62 HZ2 LYS 62 13.712 -1.951 12.108 510 2HZ LYS 62 HZ1 LYS 62 13.289 -1.309 13.627 511 3HZ LYS 62 HZ3 LYS 62 13.131 -0.352 12.227 512 H MET 63 HN MET 63 17.024 3.089 7.195 513 HA MET 63 HA MET 63 17.953 3.296 5.158 514 1HB MET 63 HB2 MET 63 20.312 2.432 4.958 515 2HB MET 63 HB3 MET 63 19.992 3.503 6.316 516 1HG MET 63 HG2 MET 63 19.879 1.535 7.808 517 2HG MET 63 HG3 MET 63 20.246 0.501 6.432 518 1HE MET 63 HE3 MET 63 22.118 0.750 4.970 519 2HE MET 63 HE1 MET 63 22.950 2.303 4.978 520 3HE MET 63 HE2 MET 63 23.760 0.867 5.609 521 H GLU 64 HN GLU 64 16.064 1.227 5.134 522 HA GLU 64 HA GLU 64 17.243 -0.586 3.123 523 1HB GLU 64 HB2 GLU 64 15.062 -1.086 5.154 524 2HB GLU 64 HB3 GLU 64 15.216 -2.079 3.712 525 1HG GLU 64 HG2 GLU 64 17.688 -2.357 4.524 526 2HG GLU 64 HG3 GLU 64 17.022 -1.875 6.083 527 H MET 65 HN MET 65 16.340 -0.564 1.128 528 HA MET 65 HA MET 65 14.470 1.474 0.440 529 1HB MET 65 HB2 MET 65 15.651 -0.831 -1.114 530 2HB MET 65 HB3 MET 65 14.504 0.295 -1.828 531 1HG MET 65 HG2 MET 65 17.121 1.109 -0.583 532 2HG MET 65 HG3 MET 65 16.881 0.808 -2.299 533 1HE MET 65 HE2 MET 65 14.719 2.049 -3.560 534 2HE MET 65 HE3 MET 65 15.010 3.785 -3.631 535 3HE MET 65 HE1 MET 65 16.329 2.657 -3.940 536 H VAL 66 HN VAL 66 12.355 1.421 0.672 537 HA VAL 66 HA VAL 66 10.871 -1.100 0.347 538 HB VAL 66 HB VAL 66 9.350 -0.401 2.252 539 1HG1 VAL 66 HG13 VAL 66 11.045 -2.169 2.528 540 2HG1 VAL 66 HG11 VAL 66 12.211 -0.959 3.060 541 3HG1 VAL 66 HG12 VAL 66 10.763 -1.271 4.018 542 1HG2 VAL 66 HG22 VAL 66 11.597 1.543 2.809 543 2HG2 VAL 66 HG23 VAL 66 9.920 1.936 2.439 544 3HG2 VAL 66 HG21 VAL 66 10.324 1.128 3.951 545 H TYR 67 HN TYR 67 8.474 -0.617 0.213 546 HA TYR 67 HA TYR 67 7.982 1.350 -1.815 547 1HB TYR 67 HB2 TYR 67 6.354 -0.766 -0.453 548 2HB TYR 67 HB3 TYR 67 5.508 0.539 -1.260 549 HD1 TYR 67 HD2 TYR 67 7.250 0.964 -3.634 550 HD2 TYR 67 HD1 TYR 67 5.847 -2.612 -1.805 551 HE1 TYR 67 HE2 TYR 67 7.419 -0.178 -5.786 552 HE2 TYR 67 HE1 TYR 67 5.990 -3.784 -3.961 553 HH TYR 67 HH TYR 67 7.693 -3.118 -6.279 554 H CYS 68 HN CYS 68 7.211 3.321 -1.567 555 HA CYS 68 HA CYS 68 5.915 4.117 0.934 556 1HB CYS 68 HB2 CYS 68 8.133 5.732 -0.362 557 2HB CYS 68 HB3 CYS 68 7.300 6.096 1.144 558 HG CYS 68 HG CYS 68 9.563 4.048 0.806 559 H LEU 69 HN LEU 69 4.982 6.367 0.692 560 HA LEU 69 HA LEU 69 3.931 6.729 -2.042 561 1HB LEU 69 HB2 LEU 69 2.459 6.063 0.136 562 2HB LEU 69 HB3 LEU 69 2.385 7.811 0.238 563 HG LEU 69 HG LEU 69 1.502 7.869 -2.090 564 1HD1 LEU 69 HD11 LEU 69 2.337 5.162 -2.095 565 2HD1 LEU 69 HD12 LEU 69 0.579 5.177 -2.255 566 3HD1 LEU 69 HD13 LEU 69 1.575 6.079 -3.395 567 1HD2 LEU 69 HD22 LEU 69 -0.012 6.285 -0.030 568 2HD2 LEU 69 HD23 LEU 69 -0.065 8.025 -0.310 569 3HD2 LEU 69 HD21 LEU 69 -0.730 6.922 -1.512 570 HA PRO 70 HA PRO 70 5.739 10.847 -1.731 571 1HB PRO 70 HB2 PRO 70 3.928 11.789 -3.804 572 2HB PRO 70 HB3 PRO 70 5.655 11.482 -3.904 573 1HG PRO 70 HG2 PRO 70 3.721 9.998 -5.162 574 2HG PRO 70 HG3 PRO 70 5.337 9.396 -4.765 575 1HD PRO 70 HD2 PRO 70 2.730 8.919 -3.398 576 2HD PRO 70 HD3 PRO 70 4.110 7.826 -3.631 577 H ALA 71 HN ALA 71 4.090 13.068 -2.539 578 HA ALA 71 HA ALA 71 2.670 13.741 -0.154 579 1HB ALA 71 HB3 ALA 71 3.144 14.991 -2.796 580 2HB ALA 71 HB1 ALA 71 1.664 15.477 -1.970 581 3HB ALA 71 HB2 ALA 71 3.224 15.689 -1.177 582 H GLU 72 HN GLU 72 0.615 13.192 0.384 583 HA GLU 72 HA GLU 72 -0.760 11.122 -0.591 584 1HB GLU 72 HB2 GLU 72 -1.234 12.588 1.486 585 2HB GLU 72 HB3 GLU 72 -2.330 13.478 0.439 586 1HG GLU 72 HG2 GLU 72 -3.517 11.813 1.749 587 2HG GLU 72 HG3 GLU 72 -3.615 11.447 0.029 588 H LEU 73 HN LEU 73 -1.952 10.545 -2.252 589 HA LEU 73 HA LEU 73 -2.815 12.580 -4.212 590 1HB LEU 73 HB2 LEU 73 -1.834 9.747 -4.505 591 2HB LEU 73 HB3 LEU 73 -2.797 10.491 -5.767 592 HG LEU 73 HG LEU 73 -0.334 11.882 -4.787 593 1HD1 LEU 73 HD12 LEU 73 -0.458 9.435 -6.505 594 2HD1 LEU 73 HD13 LEU 73 0.793 10.647 -6.761 595 3HD1 LEU 73 HD11 LEU 73 0.667 9.832 -5.206 596 1HD2 LEU 73 HD22 LEU 73 -1.766 11.740 -7.432 597 2HD2 LEU 73 HD23 LEU 73 -1.748 13.098 -6.305 598 3HD2 LEU 73 HD21 LEU 73 -0.269 12.625 -7.139 599 H GLY 74 HN GLY 74 -4.851 12.921 -3.179 600 1HA GLY 74 HA1 GLY 74 -7.149 12.609 -3.339 601 2HA GLY 74 HA2 GLY 74 -6.877 11.012 -4.010 602 H VAL 75 HN VAL 75 -8.430 12.373 -1.633 603 HA VAL 75 HA VAL 75 -7.680 10.437 0.466 604 HB VAL 75 HB VAL 75 -9.182 11.935 1.932 605 1HG1 VAL 75 HG22 VAL 75 -6.703 11.818 2.027 606 2HG1 VAL 75 HG23 VAL 75 -6.636 13.153 0.872 607 3HG1 VAL 75 HG21 VAL 75 -7.359 13.396 2.463 608 1HG2 VAL 75 HG12 VAL 75 -9.955 13.155 -0.295 609 2HG2 VAL 75 HG13 VAL 75 -9.878 13.990 1.251 610 3HG2 VAL 75 HG11 VAL 75 -8.571 14.173 0.084 611 HA PRO 76 HA PRO 76 -11.528 8.228 0.106 612 1HB PRO 76 HB2 PRO 76 -12.217 8.540 2.960 613 2HB PRO 76 HB3 PRO 76 -11.774 7.090 2.057 614 1HG PRO 76 HG2 PRO 76 -10.113 8.183 3.853 615 2HG PRO 76 HG3 PRO 76 -9.506 7.429 2.366 616 1HD PRO 76 HD2 PRO 76 -9.932 10.340 2.978 617 2HD PRO 76 HD3 PRO 76 -8.533 9.550 2.216 618 H THR 77 HN THR 77 -11.776 11.268 -0.040 619 HA THR 77 HA THR 77 -14.601 11.356 -0.334 620 HB THR 77 HB THR 77 -14.406 11.633 2.161 621 HG1 THR 77 HG1 THR 77 -16.180 12.637 1.752 622 1HG2 THR 77 HG23 THR 77 -12.293 12.846 2.339 623 2HG2 THR 77 HG22 THR 77 -13.029 14.248 1.568 624 3HG2 THR 77 HG21 THR 77 -13.612 13.699 3.135 625 H THR 78 HN THR 78 -15.262 13.727 -0.891 626 HA THR 78 HA THR 78 -13.106 14.927 -2.518 627 HB THR 78 HB THR 78 -15.155 15.877 -3.819 628 HG1 THR 78 HG1 THR 78 -16.981 15.283 -2.950 629 1HG2 THR 78 HG21 THR 78 -13.639 14.191 -4.751 630 2HG2 THR 78 HG23 THR 78 -14.596 12.922 -3.990 631 3HG2 THR 78 HG22 THR 78 -15.310 13.934 -5.245 No H/Q in entry = 631 Start of MODEL 6 1 1H MET 1 HT2 MET 1 -23.398 0.323 9.147 2 2H MET 1 HT1 MET 1 -23.711 -0.063 10.795 3 3H MET 1 HT3 MET 1 -24.261 1.430 10.146 4 HA MET 1 HA MET 1 -22.477 2.287 10.988 5 1HB MET 1 HB2 MET 1 -21.680 -0.590 11.256 6 2HB MET 1 HB3 MET 1 -20.440 0.637 11.451 7 1HG MET 1 HG2 MET 1 -23.005 0.570 13.026 8 2HG MET 1 HG3 MET 1 -21.481 -0.129 13.570 9 1HE MET 1 HE2 MET 1 -23.744 2.763 13.655 10 2HE MET 1 HE3 MET 1 -23.184 2.165 15.215 11 3HE MET 1 HE1 MET 1 -22.826 3.819 14.728 12 H ARG 2 HN ARG 2 -21.158 -0.334 8.911 13 HA ARG 2 HA ARG 2 -19.550 1.672 7.483 14 1HB ARG 2 HB2 ARG 2 -19.404 -1.341 7.234 15 2HB ARG 2 HB3 ARG 2 -18.208 -0.166 6.707 16 1HG ARG 2 HG2 ARG 2 -18.936 -0.874 9.546 17 2HG ARG 2 HG3 ARG 2 -17.434 -1.245 8.702 18 1HD ARG 2 HD2 ARG 2 -18.414 1.550 9.287 19 2HD ARG 2 HD3 ARG 2 -17.261 0.666 10.286 20 HE ARG 2 HE ARG 2 -16.198 0.610 7.749 21 1HH1 ARG 2 HH12 ARG 2 -17.161 3.103 10.018 22 2HH1 ARG 2 HH11 ARG 2 -15.962 4.241 9.461 23 1HH2 ARG 2 HH22 ARG 2 -14.643 2.095 7.023 24 2HH2 ARG 2 HH21 ARG 2 -14.535 3.666 7.757 25 H SER 3 HN SER 3 -21.633 2.426 6.478 26 HA SER 3 HA SER 3 -22.387 0.798 4.124 27 1HB SER 3 HB2 SER 3 -23.926 3.104 5.353 28 2HB SER 3 HB3 SER 3 -24.468 2.050 4.047 29 HG SER 3 HG SER 3 -25.162 0.713 5.506 30 H SER 4 HN SER 4 -21.722 4.149 5.161 31 HA SER 4 HA SER 4 -21.390 5.063 2.429 32 1HB SER 4 HB2 SER 4 -21.020 6.442 5.101 33 2HB SER 4 HB3 SER 4 -20.798 7.234 3.542 34 HG SER 4 HG SER 4 -22.910 7.140 3.154 35 H ALA 5 HN ALA 5 -19.656 3.092 2.654 36 HA ALA 5 HA ALA 5 -17.092 4.346 2.237 37 1HB ALA 5 HB2 ALA 5 -17.383 2.349 4.492 38 2HB ALA 5 HB3 ALA 5 -15.857 2.966 3.858 39 3HB ALA 5 HB1 ALA 5 -16.984 4.059 4.659 40 H LYS 6 HN LYS 6 -17.728 3.472 0.149 41 HA LYS 6 HA LYS 6 -17.951 0.621 -0.182 42 1HB LYS 6 HB2 LYS 6 -17.752 1.417 -2.712 43 2HB LYS 6 HB3 LYS 6 -19.241 1.511 -1.797 44 1HG LYS 6 HG2 LYS 6 -18.816 3.879 -1.333 45 2HG LYS 6 HG3 LYS 6 -17.328 3.782 -2.274 46 1HD LYS 6 HD2 LYS 6 -18.863 2.940 -4.176 47 2HD LYS 6 HD3 LYS 6 -20.178 3.581 -3.198 48 1HE LYS 6 HE2 LYS 6 -19.807 5.517 -4.249 49 2HE LYS 6 HE3 LYS 6 -18.390 5.665 -3.209 50 1HZ LYS 6 HZ3 LYS 6 -17.689 4.079 -5.411 51 2HZ LYS 6 HZ2 LYS 6 -18.482 5.465 -5.997 52 3HZ LYS 6 HZ1 LYS 6 -17.114 5.632 -4.996 53 H GLN 7 HN GLN 7 -16.035 -0.128 0.634 54 HA GLN 7 HA GLN 7 -13.949 -0.959 0.601 55 1HB GLN 7 HB2 GLN 7 -14.788 -1.363 -1.840 56 2HB GLN 7 HB3 GLN 7 -13.575 -0.161 -2.262 57 1HG GLN 7 HG2 GLN 7 -11.955 -1.669 -2.118 58 2HG GLN 7 HG3 GLN 7 -12.422 -2.062 -0.466 59 1HE2 GLN 7 HE22 GLN 7 -13.232 -5.286 -1.496 60 2HE2 GLN 7 HE21 GLN 7 -12.394 -4.249 -0.396 61 H GLU 8 HN GLU 8 -14.327 1.970 1.133 62 HA GLU 8 HA GLU 8 -11.864 3.219 0.269 63 1HB GLU 8 HB2 GLU 8 -14.347 4.086 1.455 64 2HB GLU 8 HB3 GLU 8 -13.010 4.680 2.429 65 1HG GLU 8 HG2 GLU 8 -12.008 5.486 0.210 66 2HG GLU 8 HG3 GLU 8 -13.624 5.227 -0.449 67 H GLU 9 HN GLU 9 -12.531 0.948 2.634 68 HA GLU 9 HA GLU 9 -10.779 2.014 4.706 69 1HB GLU 9 HB2 GLU 9 -12.257 -0.613 4.474 70 2HB GLU 9 HB3 GLU 9 -11.228 -0.183 5.833 71 1HG GLU 9 HG2 GLU 9 -12.659 1.684 6.379 72 2HG GLU 9 HG3 GLU 9 -13.654 1.374 4.956 73 H LEU 10 HN LEU 10 -10.800 -0.577 2.304 74 HA LEU 10 HA LEU 10 -8.264 -1.687 2.837 75 1HB LEU 10 HB2 LEU 10 -9.620 -2.963 1.443 76 2HB LEU 10 HB3 LEU 10 -10.071 -1.597 0.444 77 HG LEU 10 HG LEU 10 -7.766 -1.619 -0.533 78 1HD1 LEU 10 HD11 LEU 10 -7.459 -3.812 1.433 79 2HD1 LEU 10 HD12 LEU 10 -6.702 -4.019 -0.145 80 3HD1 LEU 10 HD13 LEU 10 -6.287 -2.628 0.856 81 1HD2 LEU 10 HD23 LEU 10 -9.585 -3.991 -0.778 82 2HD2 LEU 10 HD21 LEU 10 -9.385 -2.628 -1.876 83 3HD2 LEU 10 HD22 LEU 10 -8.123 -3.851 -1.754 84 H VAL 11 HN VAL 11 -9.299 1.144 1.052 85 HA VAL 11 HA VAL 11 -6.739 1.654 -0.160 86 HB VAL 11 HB VAL 11 -9.275 3.265 0.052 87 1HG1 VAL 11 HG11 VAL 11 -6.571 4.226 -0.842 88 2HG1 VAL 11 HG12 VAL 11 -8.049 4.882 -1.543 89 3HG1 VAL 11 HG13 VAL 11 -7.752 5.039 0.187 90 1HG2 VAL 11 HG23 VAL 11 -8.890 1.344 -1.606 91 2HG2 VAL 11 HG21 VAL 11 -9.480 2.879 -2.244 92 3HG2 VAL 11 HG22 VAL 11 -7.780 2.448 -2.420 93 H LYS 12 HN LYS 12 -8.477 3.266 2.597 94 HA LYS 12 HA LYS 12 -6.459 5.044 3.358 95 1HB LYS 12 HB2 LYS 12 -8.692 3.703 4.807 96 2HB LYS 12 HB3 LYS 12 -7.410 4.360 5.814 97 1HG LYS 12 HG2 LYS 12 -9.076 6.020 5.645 98 2HG LYS 12 HG3 LYS 12 -7.732 6.549 4.628 99 1HD LYS 12 HD2 LYS 12 -9.051 5.253 2.784 100 2HD LYS 12 HD3 LYS 12 -10.424 5.520 3.855 101 1HE LYS 12 HE2 LYS 12 -8.746 7.892 3.311 102 2HE LYS 12 HE3 LYS 12 -9.652 7.262 1.934 103 1HZ LYS 12 HZ1 LYS 12 -11.104 7.580 4.456 104 2HZ LYS 12 HZ3 LYS 12 -10.675 9.001 3.615 105 3HZ LYS 12 HZ2 LYS 12 -11.629 7.814 2.852 106 H ALA 13 HN ALA 13 -6.901 1.686 4.196 107 HA ALA 13 HA ALA 13 -4.707 1.381 5.969 108 1HB ALA 13 HB2 ALA 13 -6.530 -0.233 5.879 109 2HB ALA 13 HB3 ALA 13 -6.065 -0.691 4.240 110 3HB ALA 13 HB1 ALA 13 -4.983 -1.026 5.592 111 H PHE 14 HN PHE 14 -5.025 0.654 2.485 112 HA PHE 14 HA PHE 14 -2.484 -0.301 1.915 113 1HB PHE 14 HB2 PHE 14 -4.507 -0.122 0.365 114 2HB PHE 14 HB3 PHE 14 -4.034 1.525 0.078 115 HD1 PHE 14 HD2 PHE 14 -3.004 -1.979 -0.364 116 HD2 PHE 14 HD1 PHE 14 -2.231 2.084 -1.359 117 HE1 PHE 14 HE2 PHE 14 -1.461 -2.708 -2.121 118 HE2 PHE 14 HE1 PHE 14 -0.681 1.352 -3.131 119 HZ PHE 14 HZ PHE 14 -0.305 -1.045 -3.502 120 H LYS 15 HN LYS 15 -3.563 3.060 1.398 121 HA LYS 15 HA LYS 15 -1.166 4.287 0.820 122 1HB LYS 15 HB2 LYS 15 -3.253 5.586 2.589 123 2HB LYS 15 HB3 LYS 15 -2.172 6.368 1.443 124 1HG LYS 15 HG2 LYS 15 -4.235 4.409 0.517 125 2HG LYS 15 HG3 LYS 15 -4.663 6.082 0.839 126 1HD LYS 15 HD2 LYS 15 -2.290 6.012 -0.758 127 2HD LYS 15 HD3 LYS 15 -3.481 4.929 -1.470 128 1HE LYS 15 HE2 LYS 15 -3.619 7.242 -2.373 129 2HE LYS 15 HE3 LYS 15 -5.109 6.703 -1.596 130 1HZ LYS 15 HZ1 LYS 15 -3.830 7.911 0.450 131 2HZ LYS 15 HZ3 LYS 15 -3.321 8.863 -0.869 132 3HZ LYS 15 HZ2 LYS 15 -4.982 8.661 -0.550 133 H ALA 16 HN ALA 16 -2.520 3.710 4.057 134 HA ALA 16 HA ALA 16 -0.535 5.011 5.561 135 1HB ALA 16 HB1 ALA 16 -2.717 4.393 6.482 136 2HB ALA 16 HB2 ALA 16 -2.276 2.688 6.396 137 3HB ALA 16 HB3 ALA 16 -1.398 3.773 7.474 138 H LEU 17 HN LEU 17 -0.820 1.549 4.669 139 HA LEU 17 HA LEU 17 1.415 0.564 6.011 140 1HB LEU 17 HB2 LEU 17 0.256 -0.305 3.354 141 2HB LEU 17 HB3 LEU 17 1.472 -1.212 4.225 142 HG LEU 17 HG LEU 17 -1.416 -0.808 4.889 143 1HD1 LEU 17 HD11 LEU 17 0.391 -3.214 4.756 144 2HD1 LEU 17 HD12 LEU 17 -1.319 -3.247 5.195 145 3HD1 LEU 17 HD13 LEU 17 -0.834 -2.739 3.577 146 1HD2 LEU 17 HD21 LEU 17 0.771 -1.474 6.835 147 2HD2 LEU 17 HD22 LEU 17 -0.479 -0.239 6.970 148 3HD2 LEU 17 HD23 LEU 17 -0.907 -1.942 7.093 149 H LEU 18 HN LEU 18 1.230 2.001 2.776 150 HA LEU 18 HA LEU 18 3.991 1.629 2.134 151 1HB LEU 18 HB2 LEU 18 2.100 3.699 1.024 152 2HB LEU 18 HB3 LEU 18 3.597 3.154 0.295 153 HG LEU 18 HG LEU 18 1.307 1.272 0.774 154 1HD1 LEU 18 HD11 LEU 18 1.517 3.446 -1.152 155 2HD1 LEU 18 HD12 LEU 18 1.205 1.871 -1.888 156 3HD1 LEU 18 HD13 LEU 18 0.115 2.502 -0.650 157 1HD2 LEU 18 HD21 LEU 18 3.621 1.227 -1.152 158 2HD2 LEU 18 HD22 LEU 18 3.473 0.250 0.314 159 3HD2 LEU 18 HD23 LEU 18 2.356 0.007 -1.031 160 H LYS 19 HN LYS 19 2.140 4.450 3.281 161 HA LYS 19 HA LYS 19 4.299 6.237 3.382 162 1HB LYS 19 HB2 LYS 19 1.653 6.235 4.841 163 2HB LYS 19 HB3 LYS 19 2.791 7.580 4.896 164 1HG LYS 19 HG2 LYS 19 2.603 7.916 2.513 165 2HG LYS 19 HG3 LYS 19 1.604 6.467 2.349 166 1HD LYS 19 HD2 LYS 19 0.084 8.253 2.293 167 2HD LYS 19 HD3 LYS 19 -0.047 7.597 3.924 168 1HE LYS 19 HE2 LYS 19 1.914 9.786 3.530 169 2HE LYS 19 HE3 LYS 19 0.215 10.227 3.383 170 1HZ LYS 19 HZ2 LYS 19 0.390 8.663 5.653 171 2HZ LYS 19 HZ1 LYS 19 1.737 9.707 5.721 172 3HZ LYS 19 HZ3 LYS 19 0.164 10.350 5.577 173 H GLU 20 HN GLU 20 3.575 3.634 5.507 174 HA GLU 20 HA GLU 20 4.905 4.670 7.849 175 1HB GLU 20 HB2 GLU 20 3.995 1.918 7.011 176 2HB GLU 20 HB3 GLU 20 4.976 2.148 8.448 177 1HG GLU 20 HG2 GLU 20 2.975 3.991 8.809 178 2HG GLU 20 HG3 GLU 20 2.135 2.675 7.995 179 H GLU 21 HN GLU 21 5.924 3.215 4.881 180 HA GLU 21 HA GLU 21 7.937 2.672 3.991 181 1HB GLU 21 HB2 GLU 21 9.195 4.048 6.376 182 2HB GLU 21 HB3 GLU 21 9.938 3.742 4.816 183 1HG GLU 21 HG2 GLU 21 8.684 5.386 3.746 184 2HG GLU 21 HG3 GLU 21 7.480 5.446 5.023 185 H LYS 22 HN LYS 22 7.037 0.539 4.731 186 HA LYS 22 HA LYS 22 8.899 -0.839 6.569 187 1HB LYS 22 HB2 LYS 22 6.926 -0.642 7.802 188 2HB LYS 22 HB3 LYS 22 5.901 -0.869 6.398 189 1HG LYS 22 HG2 LYS 22 5.678 -2.768 7.758 190 2HG LYS 22 HG3 LYS 22 6.610 -3.269 6.360 191 1HD LYS 22 HD2 LYS 22 8.680 -2.928 7.773 192 2HD LYS 22 HD3 LYS 22 7.603 -2.696 9.149 193 1HE LYS 22 HE2 LYS 22 7.736 -4.915 9.424 194 2HE LYS 22 HE3 LYS 22 6.638 -5.015 8.052 195 1HZ LYS 22 HZ1 LYS 22 9.452 -4.783 7.367 196 2HZ LYS 22 HZ3 LYS 22 9.029 -6.224 8.164 197 3HZ LYS 22 HZ2 LYS 22 8.250 -5.795 6.711 198 H PHE 23 HN PHE 23 6.456 -1.451 4.056 199 HA PHE 23 HA PHE 23 7.534 -4.040 3.411 200 1HB PHE 23 HB2 PHE 23 5.377 -2.438 2.023 201 2HB PHE 23 HB3 PHE 23 5.659 -4.178 1.874 202 HD1 PHE 23 HD2 PHE 23 5.425 -5.624 3.922 203 HD2 PHE 23 HD1 PHE 23 4.087 -1.583 3.850 204 HE1 PHE 23 HE2 PHE 23 4.045 -6.054 5.904 205 HE2 PHE 23 HE1 PHE 23 2.707 -2.015 5.842 206 HZ PHE 23 HZ PHE 23 2.689 -4.250 6.872 207 H SER 24 HN SER 24 8.800 -4.625 1.756 208 HA SER 24 HA SER 24 9.780 -2.528 -0.045 209 1HB SER 24 HB2 SER 24 11.584 -4.387 -0.511 210 2HB SER 24 HB3 SER 24 11.660 -3.428 0.963 211 HG SER 24 HG SER 24 10.756 -5.129 2.112 212 H SER 25 HN SER 25 7.986 -5.486 -0.068 213 HA SER 25 HA SER 25 7.801 -5.284 -3.007 214 1HB SER 25 HB2 SER 25 7.483 -7.875 -2.907 215 2HB SER 25 HB3 SER 25 9.110 -7.208 -2.851 216 HG SER 25 HG SER 25 8.176 -7.353 -0.354 217 H GLN 26 HN GLN 26 5.874 -6.420 -3.868 218 HA GLN 26 HA GLN 26 3.500 -5.365 -2.761 219 1HB GLN 26 HB2 GLN 26 3.529 -7.663 -4.705 220 2HB GLN 26 HB3 GLN 26 2.421 -6.328 -4.590 221 1HG GLN 26 HG2 GLN 26 4.239 -4.802 -5.323 222 2HG GLN 26 HG3 GLN 26 5.251 -6.220 -5.575 223 1HE2 GLN 26 HE22 GLN 26 3.476 -5.102 -8.722 224 2HE2 GLN 26 HE21 GLN 26 4.313 -4.216 -7.498 225 H GLY 27 HN GLY 27 4.402 -8.795 -3.142 226 1HA GLY 27 HA1 GLY 27 2.464 -10.158 -1.883 227 2HA GLY 27 HA2 GLY 27 4.144 -10.611 -1.712 228 H GLU 28 HN GLU 28 4.975 -8.406 -0.077 229 HA GLU 28 HA GLU 28 4.288 -9.397 2.482 230 1HB GLU 28 HB2 GLU 28 5.574 -6.730 1.868 231 2HB GLU 28 HB3 GLU 28 5.675 -7.643 3.368 232 1HG GLU 28 HG2 GLU 28 6.927 -9.400 2.221 233 2HG GLU 28 HG3 GLU 28 6.825 -8.491 0.716 234 H ILE 29 HN ILE 29 3.328 -6.377 0.805 235 HA ILE 29 HA ILE 29 1.663 -5.524 2.983 236 HB ILE 29 HB ILE 29 2.127 -3.597 2.033 237 1HG1 ILE 29 HG12 ILE 29 0.079 -4.344 -0.058 238 2HG1 ILE 29 HG13 ILE 29 -0.269 -3.655 1.532 239 1HG2 ILE 29 HG22 ILE 29 3.772 -4.585 0.535 240 2HG2 ILE 29 HG23 ILE 29 2.510 -4.865 -0.662 241 3HG2 ILE 29 HG21 ILE 29 2.945 -3.222 -0.212 242 1HD1 ILE 29 HD11 ILE 29 1.519 -1.859 0.502 243 2HD1 ILE 29 HD12 ILE 29 0.613 -2.353 -0.929 244 3HD1 ILE 29 HD13 ILE 29 -0.236 -1.693 0.470 245 H VAL 30 HN VAL 30 1.226 -7.695 0.375 246 HA VAL 30 HA VAL 30 -1.626 -7.601 0.123 247 HB VAL 30 HB VAL 30 0.201 -9.990 -0.324 248 1HG1 VAL 30 HG13 VAL 30 -2.178 -10.555 -0.130 249 2HG1 VAL 30 HG11 VAL 30 -2.539 -9.408 -1.415 250 3HG1 VAL 30 HG12 VAL 30 -1.559 -10.832 -1.755 251 1HG2 VAL 30 HG23 VAL 30 0.476 -7.702 -1.692 252 2HG2 VAL 30 HG21 VAL 30 0.700 -9.287 -2.419 253 3HG2 VAL 30 HG22 VAL 30 -0.824 -8.439 -2.618 254 H ALA 31 HN ALA 31 0.609 -9.693 1.932 255 HA ALA 31 HA ALA 31 -1.357 -11.062 3.443 256 1HB ALA 31 HB2 ALA 31 0.868 -11.978 3.141 257 2HB ALA 31 HB3 ALA 31 1.570 -10.637 4.048 258 3HB ALA 31 HB1 ALA 31 0.512 -11.793 4.857 259 H ALA 32 HN ALA 32 0.314 -8.014 3.918 260 HA ALA 32 HA ALA 32 -0.207 -7.630 6.661 261 1HB ALA 32 HB3 ALA 32 1.419 -6.306 5.354 262 2HB ALA 32 HB1 ALA 32 0.075 -5.484 4.562 263 3HB ALA 32 HB2 ALA 32 0.313 -5.312 6.299 264 H LEU 33 HN LEU 33 -2.042 -6.501 3.790 265 HA LEU 33 HA LEU 33 -4.134 -5.379 5.388 266 1HB LEU 33 HB2 LEU 33 -4.120 -6.009 2.441 267 2HB LEU 33 HB3 LEU 33 -5.390 -5.119 3.279 268 HG LEU 33 HG LEU 33 -2.510 -4.190 3.224 269 1HD1 LEU 33 HD13 LEU 33 -4.593 -3.964 1.171 270 2HD1 LEU 33 HD11 LEU 33 -3.803 -2.444 1.605 271 3HD1 LEU 33 HD12 LEU 33 -2.844 -3.817 1.038 272 1HD2 LEU 33 HD23 LEU 33 -3.881 -3.277 5.022 273 2HD2 LEU 33 HD21 LEU 33 -3.473 -2.040 3.839 274 3HD2 LEU 33 HD22 LEU 33 -5.083 -2.756 3.844 275 H GLN 34 HN GLN 34 -3.507 -8.574 4.133 276 HA GLN 34 HA GLN 34 -6.138 -9.615 4.400 277 1HB GLN 34 HB2 GLN 34 -3.410 -10.865 4.368 278 2HB GLN 34 HB3 GLN 34 -4.816 -11.838 4.767 279 1HG GLN 34 HG2 GLN 34 -5.795 -11.475 2.641 280 2HG GLN 34 HG3 GLN 34 -4.629 -10.215 2.240 281 1HE2 GLN 34 HE22 GLN 34 -3.331 -12.956 0.344 282 2HE2 GLN 34 HE21 GLN 34 -4.504 -11.685 0.290 283 H GLU 35 HN GLU 35 -3.434 -9.307 6.666 284 HA GLU 35 HA GLU 35 -4.776 -10.579 8.860 285 1HB GLU 35 HB2 GLU 35 -2.323 -8.807 8.738 286 2HB GLU 35 HB3 GLU 35 -2.893 -9.582 10.210 287 1HG GLU 35 HG2 GLU 35 -2.111 -11.077 7.712 288 2HG GLU 35 HG3 GLU 35 -1.023 -10.766 9.064 289 H GLN 36 HN GLN 36 -4.661 -7.333 7.588 290 HA GLN 36 HA GLN 36 -5.527 -5.890 9.870 291 1HB GLN 36 HB2 GLN 36 -5.633 -5.357 6.910 292 2HB GLN 36 HB3 GLN 36 -6.308 -4.233 8.066 293 1HG GLN 36 HG2 GLN 36 -3.571 -5.072 8.689 294 2HG GLN 36 HG3 GLN 36 -3.727 -4.228 7.153 295 1HE2 GLN 36 HE22 GLN 36 -4.003 -1.101 8.594 296 2HE2 GLN 36 HE21 GLN 36 -3.791 -2.077 7.185 297 H GLY 37 HN GLY 37 -7.385 -6.924 6.986 298 1HA GLY 37 HA1 GLY 37 -9.523 -8.120 8.137 299 2HA GLY 37 HA2 GLY 37 -9.908 -6.417 8.327 300 H PHE 38 HN PHE 38 -8.200 -7.809 5.555 301 HA PHE 38 HA PHE 38 -10.612 -7.423 3.885 302 1HB PHE 38 HB2 PHE 38 -7.850 -6.635 2.956 303 2HB PHE 38 HB3 PHE 38 -9.399 -6.288 2.202 304 HD1 PHE 38 HD2 PHE 38 -10.854 -4.553 3.109 305 HD2 PHE 38 HD1 PHE 38 -7.026 -5.309 4.801 306 HE1 PHE 38 HE2 PHE 38 -10.945 -2.400 4.286 307 HE2 PHE 38 HE1 PHE 38 -7.106 -3.162 5.975 308 HZ PHE 38 HZ PHE 38 -9.061 -1.707 5.717 309 H ASP 39 HN ASP 39 -11.113 -9.404 3.214 310 HA ASP 39 HA ASP 39 -9.039 -11.404 2.831 311 1HB ASP 39 HB2 ASP 39 -11.360 -11.652 4.093 312 2HB ASP 39 HB3 ASP 39 -11.911 -12.070 2.480 313 H ASN 40 HN ASN 40 -10.584 -9.283 0.855 314 HA ASN 40 HA ASN 40 -10.510 -11.033 -1.494 315 1HB ASN 40 HB2 ASN 40 -12.472 -9.359 -0.824 316 2HB ASN 40 HB3 ASN 40 -11.468 -8.204 -1.689 317 1HD2 ASN 40 HD22 ASN 40 -12.489 -9.306 -4.814 318 2HD2 ASN 40 HD21 ASN 40 -11.692 -8.118 -3.840 319 H ILE 41 HN ILE 41 -8.091 -10.119 -0.203 320 HA ILE 41 HA ILE 41 -6.962 -8.306 -2.226 321 HB ILE 41 HB ILE 41 -6.421 -8.698 0.674 322 1HG1 ILE 41 HG12 ILE 41 -6.305 -6.290 0.669 323 2HG1 ILE 41 HG13 ILE 41 -6.172 -6.255 -1.088 324 1HG2 ILE 41 HG22 ILE 41 -4.264 -7.952 -1.287 325 2HG2 ILE 41 HG23 ILE 41 -4.205 -7.534 0.424 326 3HG2 ILE 41 HG21 ILE 41 -4.236 -9.226 -0.065 327 1HD1 ILE 41 HD13 ILE 41 -8.593 -7.417 0.193 328 2HD1 ILE 41 HD11 ILE 41 -8.418 -5.673 0.019 329 3HD1 ILE 41 HD12 ILE 41 -8.395 -6.707 -1.411 330 H ASN 42 HN ASN 42 -5.289 -8.858 -3.409 331 HA ASN 42 HA ASN 42 -3.723 -11.251 -2.884 332 1HB ASN 42 HB2 ASN 42 -4.016 -12.154 -5.172 333 2HB ASN 42 HB3 ASN 42 -5.505 -12.189 -4.238 334 1HD2 ASN 42 HD22 ASN 42 -6.747 -11.066 -7.382 335 2HD2 ASN 42 HD21 ASN 42 -6.336 -12.491 -6.490 336 H GLN 43 HN GLN 43 -2.039 -11.419 -4.872 337 HA GLN 43 HA GLN 43 -0.372 -9.189 -4.691 338 1HB GLN 43 HB2 GLN 43 0.273 -11.546 -5.352 339 2HB GLN 43 HB3 GLN 43 -0.326 -11.187 -6.963 340 1HG GLN 43 HG2 GLN 43 1.501 -9.134 -6.092 341 2HG GLN 43 HG3 GLN 43 2.239 -10.722 -5.926 342 1HE2 GLN 43 HE22 GLN 43 2.557 -11.287 -9.358 343 2HE2 GLN 43 HE21 GLN 43 2.627 -11.953 -7.761 344 H SER 44 HN SER 44 -2.747 -10.006 -7.188 345 HA SER 44 HA SER 44 -2.083 -7.990 -9.030 346 1HB SER 44 HB2 SER 44 -4.769 -9.320 -8.552 347 2HB SER 44 HB3 SER 44 -4.275 -8.467 -10.007 348 HG SER 44 HG SER 44 -2.807 -10.055 -10.470 349 H LYS 45 HN LYS 45 -4.385 -8.014 -6.313 350 HA LYS 45 HA LYS 45 -5.521 -5.460 -6.744 351 1HB LYS 45 HB2 LYS 45 -6.074 -7.481 -5.038 352 2HB LYS 45 HB3 LYS 45 -5.199 -6.435 -3.935 353 1HG LYS 45 HG2 LYS 45 -7.300 -5.674 -3.579 354 2HG LYS 45 HG3 LYS 45 -6.856 -4.615 -4.920 355 1HD LYS 45 HD2 LYS 45 -7.963 -6.144 -6.485 356 2HD LYS 45 HD3 LYS 45 -8.384 -7.218 -5.149 357 1HE LYS 45 HE2 LYS 45 -10.281 -5.843 -5.763 358 2HE LYS 45 HE3 LYS 45 -9.727 -5.430 -4.142 359 1HZ LYS 45 HZ1 LYS 45 -8.862 -3.911 -6.540 360 2HZ LYS 45 HZ3 LYS 45 -10.290 -3.523 -5.694 361 3HZ LYS 45 HZ2 LYS 45 -8.780 -3.435 -4.907 362 H VAL 46 HN VAL 46 -2.678 -6.507 -4.960 363 HA VAL 46 HA VAL 46 -2.028 -3.969 -3.807 364 HB VAL 46 HB VAL 46 -0.598 -6.600 -4.021 365 1HG1 VAL 46 HG12 VAL 46 1.123 -4.830 -4.089 366 2HG1 VAL 46 HG13 VAL 46 0.453 -4.161 -2.597 367 3HG1 VAL 46 HG11 VAL 46 1.164 -5.769 -2.608 368 1HG2 VAL 46 HG22 VAL 46 -2.176 -5.120 -1.987 369 2HG2 VAL 46 HG23 VAL 46 -2.135 -6.842 -2.349 370 3HG2 VAL 46 HG21 VAL 46 -0.837 -6.106 -1.410 371 H SER 47 HN SER 47 -0.963 -5.734 -6.687 372 HA SER 47 HA SER 47 1.017 -3.846 -7.503 373 1HB SER 47 HB2 SER 47 1.058 -6.138 -8.323 374 2HB SER 47 HB3 SER 47 -0.519 -5.932 -9.077 375 HG SER 47 HG SER 47 1.905 -5.381 -10.084 376 H ARG 48 HN ARG 48 -2.446 -4.230 -8.116 377 HA ARG 48 HA ARG 48 -2.658 -2.263 -10.155 378 1HB ARG 48 HB2 ARG 48 -4.626 -3.630 -8.351 379 2HB ARG 48 HB3 ARG 48 -5.140 -2.216 -9.256 380 1HG ARG 48 HG2 ARG 48 -4.315 -3.369 -11.338 381 2HG ARG 48 HG3 ARG 48 -4.108 -4.821 -10.359 382 1HD ARG 48 HD2 ARG 48 -6.232 -4.865 -11.533 383 2HD ARG 48 HD3 ARG 48 -6.489 -4.784 -9.789 384 HE ARG 48 HE ARG 48 -6.666 -2.214 -10.362 385 1HH1 ARG 48 HH12 ARG 48 -8.007 -4.919 -12.141 386 2HH1 ARG 48 HH11 ARG 48 -9.353 -4.003 -12.759 387 1HH2 ARG 48 HH22 ARG 48 -8.406 -1.023 -11.149 388 2HH2 ARG 48 HH21 ARG 48 -9.584 -1.772 -12.197 389 H MET 49 HN MET 49 -3.243 -2.101 -6.637 390 HA MET 49 HA MET 49 -3.865 0.662 -6.581 391 1HB MET 49 HB2 MET 49 -3.047 -1.332 -4.496 392 2HB MET 49 HB3 MET 49 -3.128 0.376 -4.091 393 1HG MET 49 HG2 MET 49 -5.475 0.420 -4.844 394 2HG MET 49 HG3 MET 49 -5.386 -1.316 -5.133 395 1HE MET 49 HE3 MET 49 -5.544 -3.051 -3.608 396 2HE MET 49 HE1 MET 49 -4.131 -2.787 -2.586 397 3HE MET 49 HE2 MET 49 -5.724 -2.979 -1.855 398 H LEU 50 HN LEU 50 -0.790 -1.091 -6.412 399 HA LEU 50 HA LEU 50 0.843 1.076 -5.593 400 1HB LEU 50 HB2 LEU 50 1.342 -1.551 -6.946 401 2HB LEU 50 HB3 LEU 50 2.617 -0.338 -7.011 402 HG LEU 50 HG LEU 50 1.377 -1.097 -4.398 403 1HD1 LEU 50 HD12 LEU 50 2.101 -3.190 -5.444 404 2HD1 LEU 50 HD13 LEU 50 3.698 -2.493 -5.708 405 3HD1 LEU 50 HD11 LEU 50 3.112 -2.764 -4.066 406 1HD2 LEU 50 HD22 LEU 50 3.911 0.204 -5.268 407 2HD2 LEU 50 HD23 LEU 50 2.677 0.785 -4.144 408 3HD2 LEU 50 HD21 LEU 50 3.753 -0.531 -3.672 409 H THR 51 HN THR 51 0.027 -0.146 -8.841 410 HA THR 51 HA THR 51 1.464 1.872 -10.253 411 HB THR 51 HB THR 51 -0.841 0.231 -11.332 412 HG1 THR 51 HG1 THR 51 0.368 -1.394 -10.738 413 1HG2 THR 51 HG21 THR 51 1.367 1.774 -12.571 414 2HG2 THR 51 HG23 THR 51 0.903 0.247 -13.323 415 3HG2 THR 51 HG22 THR 51 -0.294 1.521 -13.109 416 H LYS 52 HN LYS 52 -1.928 1.490 -9.308 417 HA LYS 52 HA LYS 52 -3.023 3.696 -10.640 418 1HB LYS 52 HB2 LYS 52 -4.302 1.839 -9.581 419 2HB LYS 52 HB3 LYS 52 -3.900 2.488 -7.995 420 1HG LYS 52 HG2 LYS 52 -5.254 4.277 -9.951 421 2HG LYS 52 HG3 LYS 52 -6.199 2.994 -9.199 422 1HD LYS 52 HD2 LYS 52 -5.195 3.907 -6.972 423 2HD LYS 52 HD3 LYS 52 -4.881 5.363 -7.918 424 1HE LYS 52 HE2 LYS 52 -7.568 4.044 -7.537 425 2HE LYS 52 HE3 LYS 52 -7.011 5.518 -6.746 426 1HZ LYS 52 HZ2 LYS 52 -6.680 5.830 -9.520 427 2HZ LYS 52 HZ1 LYS 52 -8.263 5.262 -9.242 428 3HZ LYS 52 HZ3 LYS 52 -7.721 6.681 -8.477 429 H PHE 53 HN PHE 53 -1.987 3.455 -7.233 430 HA PHE 53 HA PHE 53 -2.341 6.241 -6.722 431 1HB PHE 53 HB2 PHE 53 -1.012 4.013 -5.167 432 2HB PHE 53 HB3 PHE 53 -1.063 5.665 -4.575 433 HD1 PHE 53 HD2 PHE 53 -3.689 6.622 -5.122 434 HD2 PHE 53 HD1 PHE 53 -2.496 2.703 -3.953 435 HE1 PHE 53 HE2 PHE 53 -5.917 6.230 -4.173 436 HE2 PHE 53 HE1 PHE 53 -4.722 2.307 -2.997 437 HZ PHE 53 HZ PHE 53 -6.439 4.068 -3.111 438 H GLY 54 HN GLY 54 0.425 4.264 -7.659 439 1HA GLY 54 HA1 GLY 54 2.373 5.010 -8.708 440 2HA GLY 54 HA2 GLY 54 1.908 6.667 -8.367 441 H ALA 55 HN ALA 55 2.778 3.730 -6.536 442 HA ALA 55 HA ALA 55 3.985 5.297 -4.425 443 1HB ALA 55 HB3 ALA 55 2.752 3.166 -4.014 444 2HB ALA 55 HB1 ALA 55 4.088 2.309 -4.781 445 3HB ALA 55 HB2 ALA 55 4.364 3.228 -3.303 446 H VAL 56 HN VAL 56 6.113 5.480 -3.929 447 HA VAL 56 HA VAL 56 8.077 4.713 -5.999 448 HB VAL 56 HB VAL 56 9.485 6.554 -5.024 449 1HG1 VAL 56 HG12 VAL 56 8.108 6.875 -7.046 450 2HG1 VAL 56 HG13 VAL 56 6.774 7.425 -6.032 451 3HG1 VAL 56 HG11 VAL 56 8.265 8.359 -6.103 452 1HG2 VAL 56 HG22 VAL 56 6.951 7.209 -3.499 453 2HG2 VAL 56 HG23 VAL 56 8.490 6.702 -2.802 454 3HG2 VAL 56 HG21 VAL 56 8.364 8.254 -3.625 455 H ARG 57 HN ARG 57 10.279 4.173 -5.187 456 HA ARG 57 HA ARG 57 10.180 2.778 -2.576 457 1HB ARG 57 HB2 ARG 57 11.703 2.057 -5.076 458 2HB ARG 57 HB3 ARG 57 12.014 1.326 -3.514 459 1HG ARG 57 HG2 ARG 57 9.749 0.435 -3.463 460 2HG ARG 57 HG3 ARG 57 9.415 1.189 -5.020 461 1HD ARG 57 HD2 ARG 57 9.933 -1.193 -5.255 462 2HD ARG 57 HD3 ARG 57 11.108 -0.180 -6.094 463 HE ARG 57 HE ARG 57 12.507 -0.497 -3.982 464 1HH1 ARG 57 HH12 ARG 57 10.305 -2.942 -5.202 465 2HH1 ARG 57 HH11 ARG 57 11.190 -4.257 -4.482 466 1HH2 ARG 57 HH22 ARG 57 13.634 -2.177 -3.062 467 2HH2 ARG 57 HH21 ARG 57 13.096 -3.820 -3.257 468 H THR 58 HN THR 58 11.763 3.202 -1.111 469 HA THR 58 HA THR 58 14.241 4.447 -1.852 470 HB THR 58 HB THR 58 12.467 6.336 -1.891 471 HG1 THR 58 HG1 THR 58 14.855 6.544 -1.718 472 1HG2 THR 58 HG21 THR 58 11.667 5.566 0.507 473 2HG2 THR 58 HG23 THR 58 12.940 6.677 1.009 474 3HG2 THR 58 HG22 THR 58 11.621 7.251 -0.010 475 H ARG 59 HN ARG 59 15.183 5.494 0.405 476 HA ARG 59 HA ARG 59 15.494 3.208 2.147 477 1HB ARG 59 HB2 ARG 59 16.844 5.820 1.695 478 2HB ARG 59 HB3 ARG 59 16.900 5.219 3.338 479 1HG ARG 59 HG2 ARG 59 17.752 3.023 2.278 480 2HG ARG 59 HG3 ARG 59 18.076 4.027 0.866 481 1HD ARG 59 HD2 ARG 59 19.428 5.530 2.266 482 2HD ARG 59 HD3 ARG 59 19.138 4.488 3.658 483 HE ARG 59 HE ARG 59 20.245 2.903 1.641 484 1HH1 ARG 59 HH12 ARG 59 21.147 5.617 3.669 485 2HH1 ARG 59 HH11 ARG 59 22.842 5.201 3.696 486 1HH2 ARG 59 HH22 ARG 59 22.470 2.358 1.662 487 2HH2 ARG 59 HH21 ARG 59 23.599 3.356 2.544 488 H ASN 60 HN ASN 60 14.673 2.994 4.212 489 HA ASN 60 HA ASN 60 12.777 5.055 5.118 490 1HB ASN 60 HB2 ASN 60 11.741 3.408 6.497 491 2HB ASN 60 HB3 ASN 60 12.004 2.676 4.924 492 1HD2 ASN 60 HD22 ASN 60 12.853 0.160 7.426 493 2HD2 ASN 60 HD21 ASN 60 11.454 1.037 6.913 494 H ALA 61 HN ALA 61 12.797 4.367 7.880 495 HA ALA 61 HA ALA 61 14.693 6.137 8.888 496 1HB ALA 61 HB1 ALA 61 12.644 5.623 10.069 497 2HB ALA 61 HB2 ALA 61 13.191 3.973 10.360 498 3HB ALA 61 HB3 ALA 61 14.034 5.329 11.111 499 H LYS 62 HN LYS 62 15.033 2.701 8.285 500 HA LYS 62 HA LYS 62 17.730 2.795 9.494 501 1HB LYS 62 HB2 LYS 62 15.775 0.507 9.404 502 2HB LYS 62 HB3 LYS 62 17.499 0.281 9.677 503 1HG LYS 62 HG2 LYS 62 16.936 0.446 11.841 504 2HG LYS 62 HG3 LYS 62 16.970 2.178 11.525 505 1HD LYS 62 HD2 LYS 62 14.460 1.779 10.834 506 2HD LYS 62 HD3 LYS 62 14.635 0.352 11.859 507 1HE LYS 62 HE2 LYS 62 15.045 3.238 12.648 508 2HE LYS 62 HE3 LYS 62 13.763 2.157 13.187 509 1HZ LYS 62 HZ3 LYS 62 15.879 0.756 13.950 510 2HZ LYS 62 HZ2 LYS 62 16.543 2.325 14.059 511 3HZ LYS 62 HZ1 LYS 62 15.139 1.930 14.939 512 H MET 63 HN MET 63 17.050 3.531 6.795 513 HA MET 63 HA MET 63 17.947 3.358 4.740 514 1HB MET 63 HB2 MET 63 19.894 1.299 5.755 515 2HB MET 63 HB3 MET 63 20.149 2.551 4.564 516 1HG MET 63 HG2 MET 63 20.011 2.832 7.523 517 2HG MET 63 HG3 MET 63 21.352 3.207 6.452 518 1HE MET 63 HE3 MET 63 19.482 4.768 8.809 519 2HE MET 63 HE1 MET 63 20.982 5.581 8.360 520 3HE MET 63 HE2 MET 63 19.449 6.448 8.268 521 H GLU 64 HN GLU 64 15.923 1.161 5.602 522 HA GLU 64 HA GLU 64 16.612 -1.052 3.859 523 1HB GLU 64 HB2 GLU 64 13.936 -0.455 5.151 524 2HB GLU 64 HB3 GLU 64 14.440 -1.973 4.429 525 1HG GLU 64 HG2 GLU 64 16.203 -2.168 6.161 526 2HG GLU 64 HG3 GLU 64 15.559 -0.713 6.923 527 H MET 65 HN MET 65 16.059 -1.304 1.767 528 HA MET 65 HA MET 65 14.901 0.899 0.312 529 1HB MET 65 HB2 MET 65 15.696 -1.889 -0.578 530 2HB MET 65 HB3 MET 65 15.171 -0.606 -1.658 531 1HG MET 65 HG2 MET 65 17.357 0.213 0.083 532 2HG MET 65 HG3 MET 65 17.768 -1.161 -0.940 533 1HE MET 65 HE2 MET 65 16.861 2.407 -0.526 534 2HE MET 65 HE3 MET 65 17.036 3.161 -2.109 535 3HE MET 65 HE1 MET 65 15.560 2.281 -1.709 536 H VAL 66 HN VAL 66 12.785 1.114 1.108 537 HA VAL 66 HA VAL 66 10.937 -1.094 0.472 538 HB VAL 66 HB VAL 66 9.507 -0.356 2.354 539 1HG1 VAL 66 HG12 VAL 66 12.343 -1.144 2.992 540 2HG1 VAL 66 HG13 VAL 66 11.059 -1.099 4.197 541 3HG1 VAL 66 HG11 VAL 66 10.933 -2.188 2.815 542 1HG2 VAL 66 HG21 VAL 66 11.707 1.655 2.716 543 2HG2 VAL 66 HG22 VAL 66 9.959 1.893 2.730 544 3HG2 VAL 66 HG23 VAL 66 10.753 1.101 4.089 545 H TYR 67 HN TYR 67 8.659 -0.397 0.336 546 HA TYR 67 HA TYR 67 8.292 1.605 -1.678 547 1HB TYR 67 HB2 TYR 67 6.559 -0.398 -0.273 548 2HB TYR 67 HB3 TYR 67 5.764 0.972 -1.025 549 HD1 TYR 67 HD2 TYR 67 7.254 1.347 -3.507 550 HD2 TYR 67 HD1 TYR 67 6.003 -2.233 -1.572 551 HE1 TYR 67 HE2 TYR 67 7.225 0.193 -5.674 552 HE2 TYR 67 HE1 TYR 67 5.951 -3.402 -3.737 553 HH TYR 67 HH TYR 67 5.824 -1.995 -6.580 554 H CYS 68 HN CYS 68 7.086 3.500 -1.490 555 HA CYS 68 HA CYS 68 5.889 4.304 0.993 556 1HB CYS 68 HB2 CYS 68 7.271 6.473 1.062 557 2HB CYS 68 HB3 CYS 68 8.035 5.009 1.664 558 HG CYS 68 HG CYS 68 9.682 6.355 0.115 559 H LEU 69 HN LEU 69 4.770 6.376 0.795 560 HA LEU 69 HA LEU 69 3.832 6.730 -1.963 561 1HB LEU 69 HB2 LEU 69 2.388 6.276 0.246 562 2HB LEU 69 HB3 LEU 69 2.447 8.027 0.326 563 HG LEU 69 HG LEU 69 1.546 8.087 -2.013 564 1HD1 LEU 69 HD11 LEU 69 2.149 5.364 -1.982 565 2HD1 LEU 69 HD12 LEU 69 0.390 5.431 -1.895 566 3HD1 LEU 69 HD13 LEU 69 1.235 6.234 -3.216 567 1HD2 LEU 69 HD21 LEU 69 -0.122 6.747 0.117 568 2HD2 LEU 69 HD22 LEU 69 0.099 8.482 -0.117 569 3HD2 LEU 69 HD23 LEU 69 -0.760 7.533 -1.328 570 HA PRO 70 HA PRO 70 5.853 10.715 -2.053 571 1HB PRO 70 HB2 PRO 70 4.600 11.645 -4.334 572 2HB PRO 70 HB3 PRO 70 6.058 10.656 -4.297 573 1HG PRO 70 HG2 PRO 70 3.356 9.918 -5.092 574 2HG PRO 70 HG3 PRO 70 4.882 9.075 -5.384 575 1HD PRO 70 HD2 PRO 70 2.862 8.423 -3.488 576 2HD PRO 70 HD3 PRO 70 4.410 7.616 -3.745 577 H ALA 71 HN ALA 71 5.320 12.867 -1.663 578 HA ALA 71 HA ALA 71 3.319 13.452 0.067 579 1HB ALA 71 HB3 ALA 71 4.962 15.205 -1.713 580 2HB ALA 71 HB1 ALA 71 3.728 15.906 -0.665 581 3HB ALA 71 HB2 ALA 71 5.049 14.973 0.035 582 H GLU 72 HN GLU 72 1.241 12.993 -0.331 583 HA GLU 72 HA GLU 72 -0.862 13.021 -1.145 584 1HB GLU 72 HB2 GLU 72 0.076 15.841 -1.517 585 2HB GLU 72 HB3 GLU 72 -1.511 15.378 -2.110 586 1HG GLU 72 HG2 GLU 72 -1.634 16.340 0.123 587 2HG GLU 72 HG3 GLU 72 -2.185 14.669 0.101 588 H LEU 73 HN LEU 73 -0.245 11.420 -2.742 589 HA LEU 73 HA LEU 73 -0.672 12.387 -5.488 590 1HB LEU 73 HB2 LEU 73 1.734 11.454 -4.740 591 2HB LEU 73 HB3 LEU 73 0.961 9.922 -5.086 592 HG LEU 73 HG LEU 73 0.359 11.492 -7.316 593 1HD1 LEU 73 HD12 LEU 73 2.047 13.123 -6.427 594 2HD1 LEU 73 HD13 LEU 73 3.275 11.881 -6.688 595 3HD1 LEU 73 HD11 LEU 73 2.358 12.519 -8.056 596 1HD2 LEU 73 HD23 LEU 73 1.897 9.118 -6.710 597 2HD2 LEU 73 HD21 LEU 73 0.942 9.518 -8.135 598 3HD2 LEU 73 HD22 LEU 73 2.620 10.042 -8.024 599 H GLY 74 HN GLY 74 -2.613 11.683 -6.081 600 1HA GLY 74 HA1 GLY 74 -4.048 9.911 -6.787 601 2HA GLY 74 HA2 GLY 74 -3.370 8.883 -5.537 602 H VAL 75 HN VAL 75 -5.653 11.412 -6.255 603 HA VAL 75 HA VAL 75 -6.760 11.335 -3.532 604 HB VAL 75 HB VAL 75 -8.198 13.269 -4.425 605 1HG1 VAL 75 HG23 VAL 75 -5.260 13.346 -3.906 606 2HG1 VAL 75 HG21 VAL 75 -6.082 14.826 -4.401 607 3HG1 VAL 75 HG22 VAL 75 -6.597 13.980 -2.943 608 1HG2 VAL 75 HG11 VAL 75 -7.603 12.691 -6.854 609 2HG2 VAL 75 HG12 VAL 75 -7.596 14.392 -6.389 610 3HG2 VAL 75 HG13 VAL 75 -6.074 13.513 -6.538 611 HA PRO 76 HA PRO 76 -10.353 8.972 -4.617 612 1HB PRO 76 HB2 PRO 76 -12.146 11.059 -3.495 613 2HB PRO 76 HB3 PRO 76 -11.936 9.374 -3.015 614 1HG PRO 76 HG2 PRO 76 -10.981 11.360 -1.503 615 2HG PRO 76 HG3 PRO 76 -10.078 9.842 -1.700 616 1HD PRO 76 HD2 PRO 76 -9.654 12.492 -3.044 617 2HD PRO 76 HD3 PRO 76 -8.457 11.384 -2.348 618 H THR 77 HN THR 77 -11.862 8.711 -6.218 619 HA THR 77 HA THR 77 -12.988 10.977 -7.640 620 HB THR 77 HB THR 77 -10.704 10.636 -8.658 621 HG1 THR 77 HG1 THR 77 -11.468 11.156 -10.554 622 1HG2 THR 77 HG23 THR 77 -10.745 8.078 -8.457 623 2HG2 THR 77 HG22 THR 77 -11.698 8.113 -9.942 624 3HG2 THR 77 HG21 THR 77 -10.074 8.795 -9.919 625 H THR 78 HN THR 78 -13.692 9.434 -9.963 626 HA THR 78 HA THR 78 -15.400 7.299 -8.860 627 HB THR 78 HB THR 78 -17.184 8.204 -10.530 628 HG1 THR 78 HG1 THR 78 -15.371 9.912 -11.079 629 1HG2 THR 78 HG22 THR 78 -16.577 9.675 -7.976 630 2HG2 THR 78 HG21 THR 78 -18.075 9.831 -8.895 631 3HG2 THR 78 HG23 THR 78 -17.633 8.280 -8.185 No H/Q in entry = 631 Start of MODEL 7 1 1H MET 1 HT2 MET 1 -22.239 1.199 16.532 2 2H MET 1 HT1 MET 1 -23.940 1.468 16.502 3 3H MET 1 HT3 MET 1 -23.291 0.129 17.374 4 HA MET 1 HA MET 1 -23.102 -1.123 15.611 5 1HB MET 1 HB2 MET 1 -24.949 1.065 14.598 6 2HB MET 1 HB3 MET 1 -24.762 -0.494 13.811 7 1HG MET 1 HG2 MET 1 -25.386 -0.742 16.642 8 2HG MET 1 HG3 MET 1 -26.608 0.154 15.748 9 1HE MET 1 HE1 MET 1 -27.160 -0.506 13.406 10 2HE MET 1 HE2 MET 1 -26.716 -2.042 12.666 11 3HE MET 1 HE3 MET 1 -28.270 -1.872 13.480 12 H ARG 2 HN ARG 2 -21.053 -1.177 14.783 13 HA ARG 2 HA ARG 2 -20.306 0.835 12.748 14 1HB ARG 2 HB2 ARG 2 -18.566 -1.061 14.342 15 2HB ARG 2 HB3 ARG 2 -17.978 0.001 13.074 16 1HG ARG 2 HG2 ARG 2 -19.283 0.912 15.633 17 2HG ARG 2 HG3 ARG 2 -17.549 0.881 15.323 18 1HD ARG 2 HD2 ARG 2 -17.818 3.000 14.646 19 2HD ARG 2 HD3 ARG 2 -18.458 2.281 13.165 20 HE ARG 2 HE ARG 2 -20.459 2.667 15.204 21 1HH1 ARG 2 HH12 ARG 2 -18.714 4.236 12.599 22 2HH1 ARG 2 HH11 ARG 2 -19.953 5.432 12.324 23 1HH2 ARG 2 HH22 ARG 2 -22.081 4.236 14.840 24 2HH2 ARG 2 HH21 ARG 2 -21.859 5.423 13.593 25 H SER 3 HN SER 3 -20.658 0.159 10.732 26 HA SER 3 HA SER 3 -19.913 -2.513 9.898 27 1HB SER 3 HB2 SER 3 -22.799 -1.589 9.686 28 2HB SER 3 HB3 SER 3 -22.143 -3.053 8.951 29 HG SER 3 HG SER 3 -21.566 -2.928 11.604 30 H SER 4 HN SER 4 -18.693 -2.031 8.203 31 HA SER 4 HA SER 4 -19.679 -0.079 6.201 32 1HB SER 4 HB2 SER 4 -16.796 -0.854 6.738 33 2HB SER 4 HB3 SER 4 -17.363 0.376 5.610 34 HG SER 4 HG SER 4 -16.673 0.778 8.058 35 H ALA 5 HN ALA 5 -20.408 -1.054 4.425 36 HA ALA 5 HA ALA 5 -19.526 -3.763 3.716 37 1HB ALA 5 HB2 ALA 5 -21.797 -2.039 2.725 38 2HB ALA 5 HB3 ALA 5 -21.405 -3.623 2.051 39 3HB ALA 5 HB1 ALA 5 -21.896 -3.478 3.740 40 H LYS 6 HN LYS 6 -19.355 -0.453 2.571 41 HA LYS 6 HA LYS 6 -18.348 -1.090 -0.049 42 1HB LYS 6 HB2 LYS 6 -18.019 1.560 1.352 43 2HB LYS 6 HB3 LYS 6 -18.094 1.243 -0.374 44 1HG LYS 6 HG2 LYS 6 -20.529 0.336 0.820 45 2HG LYS 6 HG3 LYS 6 -20.195 1.968 1.383 46 1HD LYS 6 HD2 LYS 6 -20.045 1.233 -1.526 47 2HD LYS 6 HD3 LYS 6 -21.565 1.698 -0.764 48 1HE LYS 6 HE2 LYS 6 -19.064 3.388 -0.768 49 2HE LYS 6 HE3 LYS 6 -20.399 3.581 -1.899 50 1HZ LYS 6 HZ1 LYS 6 -21.284 3.580 0.831 51 2HZ LYS 6 HZ3 LYS 6 -20.150 4.814 0.515 52 3HZ LYS 6 HZ2 LYS 6 -21.572 4.715 -0.407 53 H GLN 7 HN GLN 7 -16.329 -1.712 -0.518 54 HA GLN 7 HA GLN 7 -14.352 -1.878 1.541 55 1HB GLN 7 HB2 GLN 7 -14.747 -3.001 -1.113 56 2HB GLN 7 HB3 GLN 7 -13.072 -2.543 -0.860 57 1HG GLN 7 HG2 GLN 7 -13.188 -3.811 1.326 58 2HG GLN 7 HG3 GLN 7 -14.733 -4.447 0.766 59 1HE2 GLN 7 HE22 GLN 7 -11.245 -5.707 -0.947 60 2HE2 GLN 7 HE21 GLN 7 -11.301 -4.248 -0.025 61 H GLU 8 HN GLU 8 -15.010 0.869 0.895 62 HA GLU 8 HA GLU 8 -12.678 2.001 -0.412 63 1HB GLU 8 HB2 GLU 8 -14.754 3.441 1.258 64 2HB GLU 8 HB3 GLU 8 -13.616 4.156 0.123 65 1HG GLU 8 HG2 GLU 8 -14.782 2.742 -1.664 66 2HG GLU 8 HG3 GLU 8 -16.051 2.500 -0.463 67 H GLU 9 HN GLU 9 -12.656 0.312 2.176 68 HA GLU 9 HA GLU 9 -11.264 2.115 4.020 69 1HB GLU 9 HB2 GLU 9 -12.130 -0.759 4.371 70 2HB GLU 9 HB3 GLU 9 -11.271 0.190 5.579 71 1HG GLU 9 HG2 GLU 9 -13.938 0.971 4.448 72 2HG GLU 9 HG3 GLU 9 -13.750 -0.008 5.897 73 H LEU 10 HN LEU 10 -10.930 -0.635 1.902 74 HA LEU 10 HA LEU 10 -8.357 -1.531 2.433 75 1HB LEU 10 HB2 LEU 10 -9.891 -2.634 0.875 76 2HB LEU 10 HB3 LEU 10 -9.778 -1.279 -0.230 77 HG LEU 10 HG LEU 10 -7.399 -1.806 -0.614 78 1HD1 LEU 10 HD12 LEU 10 -7.953 -4.072 1.287 79 2HD1 LEU 10 HD13 LEU 10 -6.587 -4.049 0.173 80 3HD1 LEU 10 HD11 LEU 10 -6.722 -2.814 1.420 81 1HD2 LEU 10 HD23 LEU 10 -9.474 -2.940 -1.803 82 2HD2 LEU 10 HD21 LEU 10 -7.813 -3.396 -2.193 83 3HD2 LEU 10 HD22 LEU 10 -8.769 -4.391 -1.093 84 H VAL 11 HN VAL 11 -9.425 1.399 0.865 85 HA VAL 11 HA VAL 11 -6.872 2.081 -0.285 86 HB VAL 11 HB VAL 11 -9.284 3.824 0.254 87 1HG1 VAL 11 HG13 VAL 11 -6.629 4.435 -0.979 88 2HG1 VAL 11 HG11 VAL 11 -8.079 5.237 -1.588 89 3HG1 VAL 11 HG12 VAL 11 -7.617 5.416 0.106 90 1HG2 VAL 11 HG23 VAL 11 -8.366 2.216 -2.096 91 2HG2 VAL 11 HG21 VAL 11 -9.971 2.326 -1.372 92 3HG2 VAL 11 HG22 VAL 11 -9.343 3.663 -2.336 93 H LYS 12 HN LYS 12 -8.575 3.078 2.741 94 HA LYS 12 HA LYS 12 -6.602 4.927 3.578 95 1HB LYS 12 HB2 LYS 12 -8.506 3.281 5.258 96 2HB LYS 12 HB3 LYS 12 -7.481 4.553 5.899 97 1HG LYS 12 HG2 LYS 12 -9.221 5.901 5.560 98 2HG LYS 12 HG3 LYS 12 -8.781 5.829 3.847 99 1HD LYS 12 HD2 LYS 12 -10.268 3.979 3.509 100 2HD LYS 12 HD3 LYS 12 -10.659 3.917 5.221 101 1HE LYS 12 HE2 LYS 12 -12.470 5.008 4.070 102 2HE LYS 12 HE3 LYS 12 -11.621 6.187 5.066 103 1HZ LYS 12 HZ1 LYS 12 -10.725 5.956 2.301 104 2HZ LYS 12 HZ3 LYS 12 -12.271 6.615 2.534 105 3HZ LYS 12 HZ2 LYS 12 -10.917 7.339 3.276 106 H ALA 13 HN ALA 13 -7.004 1.472 4.150 107 HA ALA 13 HA ALA 13 -4.775 1.105 5.861 108 1HB ALA 13 HB2 ALA 13 -6.570 -0.530 5.730 109 2HB ALA 13 HB3 ALA 13 -6.148 -0.891 4.053 110 3HB ALA 13 HB1 ALA 13 -5.020 -1.285 5.353 111 H PHE 14 HN PHE 14 -5.133 0.673 2.325 112 HA PHE 14 HA PHE 14 -2.583 -0.266 1.720 113 1HB PHE 14 HB2 PHE 14 -4.609 0.004 0.153 114 2HB PHE 14 HB3 PHE 14 -4.061 1.648 -0.102 115 HD1 PHE 14 HD1 PHE 14 -3.197 -1.908 -0.465 116 HD2 PHE 14 HD2 PHE 14 -2.198 2.092 -1.516 117 HE1 PHE 14 HE1 PHE 14 -1.641 -2.747 -2.164 118 HE2 PHE 14 HE2 PHE 14 -0.638 1.249 -3.227 119 HZ PHE 14 HZ PHE 14 -0.372 -1.164 -3.538 120 H LYS 15 HN LYS 15 -3.649 3.120 1.327 121 HA LYS 15 HA LYS 15 -1.233 4.302 0.855 122 1HB LYS 15 HB2 LYS 15 -3.422 5.595 2.515 123 2HB LYS 15 HB3 LYS 15 -2.336 6.377 1.366 124 1HG LYS 15 HG2 LYS 15 -4.107 4.269 0.271 125 2HG LYS 15 HG3 LYS 15 -4.905 5.739 0.826 126 1HD LYS 15 HD2 LYS 15 -2.495 5.849 -0.953 127 2HD LYS 15 HD3 LYS 15 -4.076 5.489 -1.630 128 1HE LYS 15 HE2 LYS 15 -4.548 7.709 -0.024 129 2HE LYS 15 HE3 LYS 15 -2.970 8.062 -0.747 130 1HZ LYS 15 HZ1 LYS 15 -4.163 7.381 -2.921 131 2HZ LYS 15 HZ3 LYS 15 -5.592 7.699 -2.065 132 3HZ LYS 15 HZ2 LYS 15 -4.427 8.927 -2.274 133 H ALA 16 HN ALA 16 -2.672 3.631 4.019 134 HA ALA 16 HA ALA 16 -0.809 5.027 5.615 135 1HB ALA 16 HB3 ALA 16 -2.993 4.364 6.457 136 2HB ALA 16 HB1 ALA 16 -2.541 2.663 6.347 137 3HB ALA 16 HB2 ALA 16 -1.710 3.728 7.482 138 H LEU 17 HN LEU 17 -0.980 1.573 4.697 139 HA LEU 17 HA LEU 17 1.235 0.636 6.103 140 1HB LEU 17 HB2 LEU 17 0.067 -0.228 3.456 141 2HB LEU 17 HB3 LEU 17 1.398 -1.079 4.207 142 HG LEU 17 HG LEU 17 -1.435 -0.858 5.157 143 1HD1 LEU 17 HD12 LEU 17 0.379 -3.186 4.552 144 2HD1 LEU 17 HD13 LEU 17 -1.261 -3.316 5.185 145 3HD1 LEU 17 HD11 LEU 17 -0.988 -2.635 3.584 146 1HD2 LEU 17 HD22 LEU 17 1.010 -1.536 6.736 147 2HD2 LEU 17 HD23 LEU 17 -0.378 -0.549 7.195 148 3HD2 LEU 17 HD21 LEU 17 -0.531 -2.303 7.107 149 H LEU 18 HN LEU 18 1.117 1.828 2.741 150 HA LEU 18 HA LEU 18 3.860 1.505 2.162 151 1HB LEU 18 HB2 LEU 18 2.026 3.639 1.075 152 2HB LEU 18 HB3 LEU 18 3.513 3.087 0.338 153 HG LEU 18 HG LEU 18 1.217 1.195 0.768 154 1HD1 LEU 18 HD13 LEU 18 0.774 3.455 -0.573 155 2HD1 LEU 18 HD11 LEU 18 1.522 2.502 -1.858 156 3HD1 LEU 18 HD12 LEU 18 0.086 1.904 -1.036 157 1HD2 LEU 18 HD23 LEU 18 3.474 0.329 0.160 158 2HD2 LEU 18 HD21 LEU 18 2.225 -0.026 -1.032 159 3HD2 LEU 18 HD22 LEU 18 3.376 1.273 -1.327 160 H LYS 19 HN LYS 19 2.124 4.351 3.391 161 HA LYS 19 HA LYS 19 4.324 6.078 3.455 162 1HB LYS 19 HB2 LYS 19 1.707 6.088 4.948 163 2HB LYS 19 HB3 LYS 19 2.874 7.398 5.077 164 1HG LYS 19 HG2 LYS 19 2.707 7.804 2.677 165 2HG LYS 19 HG3 LYS 19 1.594 6.445 2.506 166 1HD LYS 19 HD2 LYS 19 0.405 8.591 2.537 167 2HD LYS 19 HD3 LYS 19 -0.050 7.579 3.909 168 1HE LYS 19 HE2 LYS 19 2.211 9.409 4.413 169 2HE LYS 19 HE3 LYS 19 0.677 10.210 4.070 170 1HZ LYS 19 HZ2 LYS 19 1.053 8.125 6.164 171 2HZ LYS 19 HZ1 LYS 19 1.026 9.803 6.449 172 3HZ LYS 19 HZ3 LYS 19 -0.365 9.014 5.856 173 H GLU 20 HN GLU 20 3.760 3.405 5.505 174 HA GLU 20 HA GLU 20 5.130 4.503 7.835 175 1HB GLU 20 HB2 GLU 20 4.231 1.686 7.200 176 2HB GLU 20 HB3 GLU 20 4.950 2.183 8.724 177 1HG GLU 20 HG2 GLU 20 2.777 3.935 8.184 178 2HG GLU 20 HG3 GLU 20 2.221 2.291 7.893 179 H GLU 21 HN GLU 21 5.963 2.961 4.887 180 HA GLU 21 HA GLU 21 7.913 2.394 3.910 181 1HB GLU 21 HB2 GLU 21 9.366 3.570 6.287 182 2HB GLU 21 HB3 GLU 21 9.954 3.383 4.641 183 1HG GLU 21 HG2 GLU 21 8.024 4.970 3.999 184 2HG GLU 21 HG3 GLU 21 7.973 5.359 5.718 185 H LYS 22 HN LYS 22 6.834 0.244 4.906 186 HA LYS 22 HA LYS 22 9.121 -1.336 5.796 187 1HB LYS 22 HB2 LYS 22 7.563 -2.639 7.379 188 2HB LYS 22 HB3 LYS 22 8.166 -1.087 7.927 189 1HG LYS 22 HG2 LYS 22 6.070 -0.037 7.563 190 2HG LYS 22 HG3 LYS 22 5.451 -1.450 6.709 191 1HD LYS 22 HD2 LYS 22 5.973 -2.702 8.935 192 2HD LYS 22 HD3 LYS 22 5.963 -1.085 9.639 193 1HE LYS 22 HE2 LYS 22 3.690 -2.231 8.018 194 2HE LYS 22 HE3 LYS 22 3.783 -2.309 9.774 195 1HZ LYS 22 HZ1 LYS 22 3.879 0.120 9.823 196 2HZ LYS 22 HZ3 LYS 22 3.670 0.163 8.139 197 3HZ LYS 22 HZ2 LYS 22 2.434 -0.453 9.125 198 H PHE 23 HN PHE 23 7.847 -1.078 3.230 199 HA PHE 23 HA PHE 23 6.895 -3.822 2.822 200 1HB PHE 23 HB2 PHE 23 5.632 -1.189 2.058 201 2HB PHE 23 HB3 PHE 23 5.219 -2.682 1.259 202 HD1 PHE 23 HD1 PHE 23 4.442 -4.640 2.771 203 HD2 PHE 23 HD2 PHE 23 4.707 -0.615 4.101 204 HE1 PHE 23 HE1 PHE 23 3.013 -5.185 4.690 205 HE2 PHE 23 HE2 PHE 23 3.282 -1.151 6.026 206 HZ PHE 23 HZ PHE 23 2.426 -3.441 6.322 207 H SER 24 HN SER 24 8.815 -4.437 1.780 208 HA SER 24 HA SER 24 9.884 -2.886 -0.372 209 1HB SER 24 HB2 SER 24 11.191 -5.235 -0.659 210 2HB SER 24 HB3 SER 24 11.646 -4.003 0.510 211 HG SER 24 HG SER 24 9.920 -6.207 1.052 212 H SER 25 HN SER 25 8.029 -5.897 -0.254 213 HA SER 25 HA SER 25 7.669 -5.663 -3.179 214 1HB SER 25 HB2 SER 25 7.290 -8.098 -3.210 215 2HB SER 25 HB3 SER 25 8.880 -7.702 -2.559 216 HG SER 25 HG SER 25 7.902 -7.917 -0.431 217 H GLN 26 HN GLN 26 5.602 -6.578 -3.968 218 HA GLN 26 HA GLN 26 3.364 -5.313 -2.764 219 1HB GLN 26 HB2 GLN 26 3.286 -7.520 -4.819 220 2HB GLN 26 HB3 GLN 26 2.096 -6.299 -4.520 221 1HG GLN 26 HG2 GLN 26 2.995 -5.086 -6.132 222 2HG GLN 26 HG3 GLN 26 4.382 -4.842 -5.084 223 1HE2 GLN 26 HE22 GLN 26 5.563 -6.114 -8.346 224 2HE2 GLN 26 HE21 GLN 26 4.645 -4.749 -7.812 225 H GLY 27 HN GLY 27 4.149 -8.767 -3.153 226 1HA GLY 27 HA1 GLY 27 2.126 -10.010 -1.821 227 2HA GLY 27 HA2 GLY 27 3.772 -10.590 -1.776 228 H GLU 28 HN GLU 28 4.829 -8.369 -0.208 229 HA GLU 28 HA GLU 28 4.318 -9.330 2.403 230 1HB GLU 28 HB2 GLU 28 5.743 -6.881 1.361 231 2HB GLU 28 HB3 GLU 28 5.585 -7.193 3.086 232 1HG GLU 28 HG2 GLU 28 6.834 -9.217 2.917 233 2HG GLU 28 HG3 GLU 28 6.818 -9.149 1.158 234 H ILE 29 HN ILE 29 3.191 -6.385 0.717 235 HA ILE 29 HA ILE 29 1.670 -5.507 2.993 236 HB ILE 29 HB ILE 29 1.965 -3.572 2.019 237 1HG1 ILE 29 HG12 ILE 29 0.004 -4.434 -0.106 238 2HG1 ILE 29 HG13 ILE 29 -0.419 -3.773 1.476 239 1HG2 ILE 29 HG22 ILE 29 3.659 -4.580 0.526 240 2HG2 ILE 29 HG23 ILE 29 2.403 -4.789 -0.691 241 3HG2 ILE 29 HG21 ILE 29 2.854 -3.176 -0.159 242 1HD1 ILE 29 HD12 ILE 29 1.307 -1.891 0.516 243 2HD1 ILE 29 HD13 ILE 29 0.467 -2.411 -0.947 244 3HD1 ILE 29 HD11 ILE 29 -0.453 -1.808 0.433 245 H VAL 30 HN VAL 30 1.068 -7.701 0.411 246 HA VAL 30 HA VAL 30 -1.792 -7.639 0.411 247 HB VAL 30 HB VAL 30 -0.001 -10.026 -0.159 248 1HG1 VAL 30 HG11 VAL 30 -2.545 -10.331 0.238 249 2HG1 VAL 30 HG12 VAL 30 -2.708 -9.568 -1.341 250 3HG1 VAL 30 HG13 VAL 30 -1.802 -11.070 -1.175 251 1HG2 VAL 30 HG22 VAL 30 0.249 -7.809 -1.559 252 2HG2 VAL 30 HG23 VAL 30 0.228 -9.379 -2.349 253 3HG2 VAL 30 HG21 VAL 30 -1.224 -8.390 -2.321 254 H ALA 31 HN ALA 31 0.609 -9.645 2.117 255 HA ALA 31 HA ALA 31 -1.192 -11.098 3.731 256 1HB ALA 31 HB1 ALA 31 1.171 -11.733 3.318 257 2HB ALA 31 HB2 ALA 31 1.678 -10.423 4.383 258 3HB ALA 31 HB3 ALA 31 0.725 -11.763 5.023 259 H ALA 32 HN ALA 32 0.490 -8.014 4.269 260 HA ALA 32 HA ALA 32 -0.178 -7.619 6.961 261 1HB ALA 32 HB3 ALA 32 0.277 -5.554 4.809 262 2HB ALA 32 HB1 ALA 32 0.225 -5.222 6.542 263 3HB ALA 32 HB2 ALA 32 1.492 -6.255 5.879 264 H LEU 33 HN LEU 33 -2.002 -6.708 4.024 265 HA LEU 33 HA LEU 33 -4.089 -5.393 5.456 266 1HB LEU 33 HB2 LEU 33 -4.155 -6.548 2.667 267 2HB LEU 33 HB3 LEU 33 -5.363 -5.471 3.359 268 HG LEU 33 HG LEU 33 -2.493 -4.597 3.196 269 1HD1 LEU 33 HD13 LEU 33 -3.106 -5.366 0.948 270 2HD1 LEU 33 HD11 LEU 33 -4.519 -4.312 0.988 271 3HD1 LEU 33 HD12 LEU 33 -2.900 -3.618 1.028 272 1HD2 LEU 33 HD23 LEU 33 -5.151 -3.192 3.290 273 2HD2 LEU 33 HD21 LEU 33 -3.871 -3.181 4.505 274 3HD2 LEU 33 HD22 LEU 33 -3.623 -2.377 2.956 275 H GLN 34 HN GLN 34 -3.551 -8.745 4.467 276 HA GLN 34 HA GLN 34 -6.168 -9.691 5.051 277 1HB GLN 34 HB2 GLN 34 -3.496 -11.077 4.912 278 2HB GLN 34 HB3 GLN 34 -4.968 -11.941 5.339 279 1HG GLN 34 HG2 GLN 34 -5.969 -11.409 3.219 280 2HG GLN 34 HG3 GLN 34 -4.615 -10.365 2.795 281 1HE2 GLN 34 HE22 GLN 34 -3.465 -13.107 0.959 282 2HE2 GLN 34 HE21 GLN 34 -4.196 -11.537 0.925 283 H GLU 35 HN GLU 35 -3.328 -9.105 7.050 284 HA GLU 35 HA GLU 35 -4.430 -10.240 9.460 285 1HB GLU 35 HB2 GLU 35 -2.116 -8.333 9.025 286 2HB GLU 35 HB3 GLU 35 -2.541 -9.041 10.578 287 1HG GLU 35 HG2 GLU 35 -2.118 -11.273 9.690 288 2HG GLU 35 HG3 GLU 35 -1.702 -10.578 8.127 289 H GLN 36 HN GLN 36 -4.517 -7.124 7.873 290 HA GLN 36 HA GLN 36 -5.374 -5.537 10.076 291 1HB GLN 36 HB2 GLN 36 -5.510 -5.155 7.088 292 2HB GLN 36 HB3 GLN 36 -6.151 -3.964 8.200 293 1HG GLN 36 HG2 GLN 36 -3.379 -4.858 8.713 294 2HG GLN 36 HG3 GLN 36 -3.630 -3.942 7.230 295 1HE2 GLN 36 HE22 GLN 36 -3.953 -0.869 8.822 296 2HE2 GLN 36 HE21 GLN 36 -3.949 -1.776 7.351 297 H GLY 37 HN GLY 37 -7.217 -6.806 7.275 298 1HA GLY 37 HA1 GLY 37 -9.371 -7.906 8.504 299 2HA GLY 37 HA2 GLY 37 -9.748 -6.190 8.559 300 H PHE 38 HN PHE 38 -8.027 -7.764 5.914 301 HA PHE 38 HA PHE 38 -10.408 -7.432 4.191 302 1HB PHE 38 HB2 PHE 38 -7.562 -6.888 3.308 303 2HB PHE 38 HB3 PHE 38 -9.043 -6.605 2.400 304 HD1 PHE 38 HD1 PHE 38 -10.490 -4.727 2.929 305 HD2 PHE 38 HD2 PHE 38 -6.864 -5.349 5.059 306 HE1 PHE 38 HE1 PHE 38 -10.609 -2.440 3.818 307 HE2 PHE 38 HE2 PHE 38 -6.976 -3.076 5.946 308 HZ PHE 38 HZ PHE 38 -8.842 -1.619 5.325 309 H ASP 39 HN ASP 39 -11.036 -9.438 3.752 310 HA ASP 39 HA ASP 39 -9.020 -11.522 3.189 311 1HB ASP 39 HB2 ASP 39 -11.867 -11.626 4.161 312 2HB ASP 39 HB3 ASP 39 -11.116 -13.048 3.447 313 H ASN 40 HN ASN 40 -9.946 -9.448 1.314 314 HA ASN 40 HA ASN 40 -10.515 -11.199 -0.938 315 1HB ASN 40 HB2 ASN 40 -12.696 -10.162 -0.247 316 2HB ASN 40 HB3 ASN 40 -11.989 -8.576 -0.525 317 1HD2 ASN 40 HD22 ASN 40 -13.040 -10.945 -3.688 318 2HD2 ASN 40 HD21 ASN 40 -12.815 -11.624 -2.113 319 H ILE 41 HN ILE 41 -8.114 -10.777 -0.835 320 HA ILE 41 HA ILE 41 -7.412 -8.560 -2.589 321 HB ILE 41 HB ILE 41 -6.866 -8.566 0.301 322 1HG1 ILE 41 HG12 ILE 41 -7.796 -6.760 -1.485 323 2HG1 ILE 41 HG13 ILE 41 -7.110 -6.326 0.074 324 1HG2 ILE 41 HG23 ILE 41 -4.516 -8.154 -1.543 325 2HG2 ILE 41 HG21 ILE 41 -4.585 -7.585 0.121 326 3HG2 ILE 41 HG22 ILE 41 -4.663 -9.308 -0.217 327 1HD1 ILE 41 HD11 ILE 41 -5.360 -6.535 -2.331 328 2HD1 ILE 41 HD12 ILE 41 -6.326 -5.092 -2.037 329 3HD1 ILE 41 HD13 ILE 41 -5.128 -5.607 -0.853 330 H ASN 42 HN ASN 42 -5.582 -8.941 -3.779 331 HA ASN 42 HA ASN 42 -3.961 -11.329 -3.235 332 1HB ASN 42 HB2 ASN 42 -4.041 -11.974 -5.645 333 2HB ASN 42 HB3 ASN 42 -5.594 -12.129 -4.841 334 1HD2 ASN 42 HD22 ASN 42 -7.239 -9.802 -6.864 335 2HD2 ASN 42 HD21 ASN 42 -7.288 -10.786 -5.437 336 H GLN 43 HN GLN 43 -2.017 -11.364 -4.827 337 HA GLN 43 HA GLN 43 -0.504 -9.039 -4.387 338 1HB GLN 43 HB2 GLN 43 0.210 -11.523 -4.921 339 2HB GLN 43 HB3 GLN 43 0.295 -10.918 -6.568 340 1HG GLN 43 HG2 GLN 43 1.782 -9.079 -5.688 341 2HG GLN 43 HG3 GLN 43 1.839 -9.971 -4.170 342 1HE2 GLN 43 HE22 GLN 43 3.734 -12.679 -5.574 343 2HE2 GLN 43 HE21 GLN 43 2.414 -12.367 -4.500 344 H SER 44 HN SER 44 -2.248 -10.108 -7.278 345 HA SER 44 HA SER 44 -1.314 -8.096 -9.031 346 1HB SER 44 HB2 SER 44 -2.923 -10.307 -9.299 347 2HB SER 44 HB3 SER 44 -4.083 -9.002 -9.504 348 HG SER 44 HG SER 44 -1.806 -9.644 -11.042 349 H LYS 45 HN LYS 45 -3.881 -8.181 -6.667 350 HA LYS 45 HA LYS 45 -5.216 -5.757 -7.269 351 1HB LYS 45 HB2 LYS 45 -5.766 -7.764 -5.622 352 2HB LYS 45 HB3 LYS 45 -4.908 -6.776 -4.457 353 1HG LYS 45 HG2 LYS 45 -7.057 -6.124 -4.075 354 2HG LYS 45 HG3 LYS 45 -6.566 -4.908 -5.249 355 1HD LYS 45 HD2 LYS 45 -7.633 -6.171 -7.035 356 2HD LYS 45 HD3 LYS 45 -8.018 -7.476 -5.908 357 1HE LYS 45 HE2 LYS 45 -10.020 -6.298 -6.089 358 2HE LYS 45 HE3 LYS 45 -9.314 -5.705 -4.589 359 1HZ LYS 45 HZ3 LYS 45 -8.323 -3.937 -6.303 360 2HZ LYS 45 HZ2 LYS 45 -9.778 -4.320 -7.102 361 3HZ LYS 45 HZ1 LYS 45 -9.816 -3.734 -5.501 362 H VAL 46 HN VAL 46 -2.464 -6.560 -5.255 363 HA VAL 46 HA VAL 46 -2.104 -3.976 -4.094 364 HB VAL 46 HB VAL 46 -0.511 -6.519 -4.068 365 1HG1 VAL 46 HG11 VAL 46 1.129 -4.677 -3.997 366 2HG1 VAL 46 HG12 VAL 46 0.247 -3.971 -2.642 367 3HG1 VAL 46 HG13 VAL 46 1.021 -5.538 -2.473 368 1HG2 VAL 46 HG23 VAL 46 -2.231 -4.990 -2.145 369 2HG2 VAL 46 HG21 VAL 46 -2.362 -6.671 -2.649 370 3HG2 VAL 46 HG22 VAL 46 -1.063 -6.170 -1.567 371 H SER 47 HN SER 47 -0.398 -5.739 -6.711 372 HA SER 47 HA SER 47 1.482 -3.689 -7.232 373 1HB SER 47 HB2 SER 47 1.537 -4.864 -9.572 374 2HB SER 47 HB3 SER 47 2.104 -5.726 -8.148 375 HG SER 47 HG SER 47 0.674 -7.170 -8.578 376 H ARG 48 HN ARG 48 -1.811 -4.255 -8.379 377 HA ARG 48 HA ARG 48 -1.795 -2.216 -10.393 378 1HB ARG 48 HB2 ARG 48 -3.932 -3.794 -9.005 379 2HB ARG 48 HB3 ARG 48 -4.398 -2.359 -9.909 380 1HG ARG 48 HG2 ARG 48 -3.515 -3.251 -11.941 381 2HG ARG 48 HG3 ARG 48 -2.804 -4.620 -11.085 382 1HD ARG 48 HD2 ARG 48 -5.532 -4.630 -10.413 383 2HD ARG 48 HD3 ARG 48 -5.469 -4.299 -12.139 384 HE ARG 48 HE ARG 48 -4.756 -6.764 -10.794 385 1HH1 ARG 48 HH12 ARG 48 -4.428 -4.863 -13.726 386 2HH1 ARG 48 HH11 ARG 48 -4.033 -6.231 -14.729 387 1HH2 ARG 48 HH22 ARG 48 -4.224 -8.561 -12.104 388 2HH2 ARG 48 HH21 ARG 48 -3.921 -8.340 -13.804 389 H MET 49 HN MET 49 -2.773 -2.270 -6.972 390 HA MET 49 HA MET 49 -3.666 0.428 -6.887 391 1HB MET 49 HB2 MET 49 -2.933 -1.599 -4.797 392 2HB MET 49 HB3 MET 49 -3.256 0.068 -4.340 393 1HG MET 49 HG2 MET 49 -5.482 -0.058 -4.901 394 2HG MET 49 HG3 MET 49 -5.228 -1.365 -6.047 395 1HE MET 49 HE2 MET 49 -4.856 -0.330 -2.448 396 2HE MET 49 HE3 MET 49 -6.584 -0.673 -2.385 397 3HE MET 49 HE1 MET 49 -5.451 -1.690 -1.499 398 H LEU 50 HN LEU 50 -0.501 -1.082 -6.433 399 HA LEU 50 HA LEU 50 0.832 1.151 -5.315 400 1HB LEU 50 HB2 LEU 50 1.707 -1.331 -6.725 401 2HB LEU 50 HB3 LEU 50 2.872 -0.027 -6.572 402 HG LEU 50 HG LEU 50 1.436 -0.855 -4.112 403 1HD1 LEU 50 HD13 LEU 50 2.001 -3.014 -5.115 404 2HD1 LEU 50 HD11 LEU 50 3.671 -2.483 -5.309 405 3HD1 LEU 50 HD12 LEU 50 2.991 -2.691 -3.696 406 1HD2 LEU 50 HD21 LEU 50 4.148 0.171 -4.790 407 2HD2 LEU 50 HD22 LEU 50 2.905 0.875 -3.751 408 3HD2 LEU 50 HD23 LEU 50 3.791 -0.551 -3.224 409 H THR 51 HN THR 51 0.340 0.123 -8.691 410 HA THR 51 HA THR 51 1.781 2.310 -9.846 411 HB THR 51 HB THR 51 -0.388 0.715 -11.232 412 HG1 THR 51 HG1 THR 51 0.820 -0.997 -11.221 413 1HG2 THR 51 HG22 THR 51 2.189 1.884 -12.271 414 2HG2 THR 51 HG21 THR 51 1.017 0.953 -13.205 415 3HG2 THR 51 HG23 THR 51 0.572 2.529 -12.552 416 H LYS 52 HN LYS 52 -1.665 1.671 -9.219 417 HA LYS 52 HA LYS 52 -2.756 3.968 -10.375 418 1HB LYS 52 HB2 LYS 52 -4.083 2.021 -9.659 419 2HB LYS 52 HB3 LYS 52 -3.770 2.415 -7.978 420 1HG LYS 52 HG2 LYS 52 -4.908 4.671 -9.399 421 2HG LYS 52 HG3 LYS 52 -5.926 3.235 -9.510 422 1HD LYS 52 HD2 LYS 52 -6.373 3.182 -7.276 423 2HD LYS 52 HD3 LYS 52 -4.830 3.914 -6.834 424 1HE LYS 52 HE2 LYS 52 -7.033 5.267 -6.533 425 2HE LYS 52 HE3 LYS 52 -5.589 6.060 -7.157 426 1HZ LYS 52 HZ3 LYS 52 -7.210 4.927 -9.244 427 2HZ LYS 52 HZ2 LYS 52 -8.050 6.083 -8.318 428 3HZ LYS 52 HZ1 LYS 52 -6.585 6.502 -9.076 429 H PHE 53 HN PHE 53 -1.835 3.441 -6.951 430 HA PHE 53 HA PHE 53 -2.348 6.192 -6.265 431 1HB PHE 53 HB2 PHE 53 -1.129 3.885 -4.721 432 2HB PHE 53 HB3 PHE 53 -1.300 5.501 -4.043 433 HD1 PHE 53 HD1 PHE 53 -3.891 6.412 -4.750 434 HD2 PHE 53 HD2 PHE 53 -2.640 2.457 -3.808 435 HE1 PHE 53 HE1 PHE 53 -6.179 5.858 -4.033 436 HE2 PHE 53 HE2 PHE 53 -4.909 1.898 -3.080 437 HZ PHE 53 HZ PHE 53 -6.694 3.600 -3.197 438 H GLY 54 HN GLY 54 0.117 4.902 -8.012 439 1HA GLY 54 HA1 GLY 54 2.191 5.642 -8.637 440 2HA GLY 54 HA2 GLY 54 1.702 7.194 -7.985 441 H ALA 55 HN ALA 55 2.397 4.056 -6.427 442 HA ALA 55 HA ALA 55 3.854 5.272 -4.284 443 1HB ALA 55 HB3 ALA 55 2.585 3.170 -4.049 444 2HB ALA 55 HB1 ALA 55 3.773 2.366 -5.078 445 3HB ALA 55 HB2 ALA 55 4.260 3.025 -3.514 446 H VAL 56 HN VAL 56 6.069 5.079 -3.802 447 HA VAL 56 HA VAL 56 7.838 4.510 -6.101 448 HB VAL 56 HB VAL 56 9.275 6.371 -5.424 449 1HG1 VAL 56 HG11 VAL 56 7.409 6.658 -7.067 450 2HG1 VAL 56 HG12 VAL 56 6.433 7.322 -5.753 451 3HG1 VAL 56 HG13 VAL 56 7.908 8.143 -6.256 452 1HG2 VAL 56 HG23 VAL 56 7.250 6.685 -3.232 453 2HG2 VAL 56 HG21 VAL 56 9.012 6.713 -3.140 454 3HG2 VAL 56 HG22 VAL 56 8.142 8.082 -3.830 455 H ARG 57 HN ARG 57 9.891 3.686 -5.649 456 HA ARG 57 HA ARG 57 10.113 2.259 -3.105 457 1HB ARG 57 HB2 ARG 57 11.822 2.107 -5.608 458 2HB ARG 57 HB3 ARG 57 11.992 1.088 -4.189 459 1HG ARG 57 HG2 ARG 57 9.495 0.491 -4.653 460 2HG ARG 57 HG3 ARG 57 9.870 1.062 -6.280 461 1HD ARG 57 HD2 ARG 57 10.192 -1.324 -6.173 462 2HD ARG 57 HD3 ARG 57 11.755 -0.527 -6.369 463 HE ARG 57 HE ARG 57 11.170 -0.989 -3.620 464 1HH1 ARG 57 HH12 ARG 57 12.262 -2.597 -6.528 465 2HH1 ARG 57 HH11 ARG 57 13.154 -3.824 -5.667 466 1HH2 ARG 57 HH22 ARG 57 12.349 -2.595 -2.483 467 2HH2 ARG 57 HH21 ARG 57 13.205 -3.815 -3.376 468 H THR 58 HN THR 58 11.314 3.028 -1.468 469 HA THR 58 HA THR 58 13.605 4.789 -1.991 470 HB THR 58 HB THR 58 11.835 6.375 -1.761 471 HG1 THR 58 HG1 THR 58 12.434 6.631 0.872 472 1HG2 THR 58 HG23 THR 58 10.891 4.826 0.634 473 2HG2 THR 58 HG22 THR 58 10.341 6.453 0.225 474 3HG2 THR 58 HG21 THR 58 10.030 5.112 -0.879 475 H ARG 59 HN ARG 59 14.977 5.093 -0.086 476 HA ARG 59 HA ARG 59 15.229 2.677 1.459 477 1HB ARG 59 HB2 ARG 59 16.855 5.110 0.961 478 2HB ARG 59 HB3 ARG 59 17.067 4.369 2.534 479 1HG ARG 59 HG2 ARG 59 17.260 2.189 0.941 480 2HG ARG 59 HG3 ARG 59 17.890 3.439 -0.131 481 1HD ARG 59 HD2 ARG 59 19.004 2.369 2.401 482 2HD ARG 59 HD3 ARG 59 19.822 2.805 0.921 483 HE ARG 59 HE ARG 59 19.278 4.515 3.186 484 1HH1 ARG 59 HH12 ARG 59 20.029 4.450 -0.241 485 2HH1 ARG 59 HH11 ARG 59 20.676 6.071 -0.252 486 1HH2 ARG 59 HH22 ARG 59 20.109 6.595 3.183 487 2HH2 ARG 59 HH21 ARG 59 20.718 7.302 1.712 488 H ASN 60 HN ASN 60 14.396 2.328 3.438 489 HA ASN 60 HA ASN 60 13.030 4.498 4.819 490 1HB ASN 60 HB2 ASN 60 11.960 2.841 6.152 491 2HB ASN 60 HB3 ASN 60 11.961 2.258 4.500 492 1HD2 ASN 60 HD22 ASN 60 12.789 -0.566 6.695 493 2HD2 ASN 60 HD21 ASN 60 11.464 0.530 6.498 494 H ALA 61 HN ALA 61 13.198 3.762 7.465 495 HA ALA 61 HA ALA 61 15.509 5.068 8.335 496 1HB ALA 61 HB1 ALA 61 13.653 3.255 9.876 497 2HB ALA 61 HB2 ALA 61 14.860 4.314 10.602 498 3HB ALA 61 HB3 ALA 61 13.519 5.002 9.690 499 H LYS 62 HN LYS 62 15.012 1.667 7.674 500 HA LYS 62 HA LYS 62 17.563 0.950 8.944 501 1HB LYS 62 HB2 LYS 62 15.315 -0.751 7.861 502 2HB LYS 62 HB3 LYS 62 16.866 -1.400 8.382 503 1HG LYS 62 HG2 LYS 62 16.109 0.116 10.540 504 2HG LYS 62 HG3 LYS 62 14.571 -0.535 9.966 505 1HD LYS 62 HD2 LYS 62 15.509 -2.798 10.030 506 2HD LYS 62 HD3 LYS 62 17.045 -2.143 10.609 507 1HE LYS 62 HE2 LYS 62 15.832 -1.231 12.590 508 2HE LYS 62 HE3 LYS 62 14.383 -2.063 12.028 509 1HZ LYS 62 HZ3 LYS 62 16.922 -3.515 12.520 510 2HZ LYS 62 HZ2 LYS 62 15.793 -3.237 13.760 511 3HZ LYS 62 HZ1 LYS 62 15.344 -4.149 12.392 512 H MET 63 HN MET 63 17.069 2.342 6.205 513 HA MET 63 HA MET 63 18.158 2.446 4.218 514 1HB MET 63 HB2 MET 63 20.015 0.199 4.878 515 2HB MET 63 HB3 MET 63 20.353 1.753 4.148 516 1HG MET 63 HG2 MET 63 19.792 2.689 6.509 517 2HG MET 63 HG3 MET 63 20.115 1.035 7.017 518 1HE MET 63 HE3 MET 63 21.248 3.869 4.874 519 2HE MET 63 HE1 MET 63 22.113 4.500 6.272 520 3HE MET 63 HE2 MET 63 23.010 3.843 4.900 521 H GLU 64 HN GLU 64 15.963 0.385 4.687 522 HA GLU 64 HA GLU 64 16.600 -1.618 2.644 523 1HB GLU 64 HB2 GLU 64 14.155 -1.306 4.406 524 2HB GLU 64 HB3 GLU 64 14.404 -2.610 3.257 525 1HG GLU 64 HG2 GLU 64 16.193 -2.054 5.622 526 2HG GLU 64 HG3 GLU 64 14.891 -3.238 5.601 527 H MET 65 HN MET 65 15.727 -1.639 0.638 528 HA MET 65 HA MET 65 14.514 0.770 -0.375 529 1HB MET 65 HB2 MET 65 14.952 -1.880 -1.787 530 2HB MET 65 HB3 MET 65 14.645 -0.328 -2.546 531 1HG MET 65 HG2 MET 65 17.091 -1.053 -0.949 532 2HG MET 65 HG3 MET 65 16.989 -0.959 -2.706 533 1HE MET 65 HE1 MET 65 16.563 0.946 -4.028 534 2HE MET 65 HE2 MET 65 15.432 2.056 -3.254 535 3HE MET 65 HE3 MET 65 17.071 2.588 -3.640 536 H VAL 66 HN VAL 66 12.494 0.892 0.730 537 HA VAL 66 HA VAL 66 10.530 -1.178 0.002 538 HB VAL 66 HB VAL 66 9.229 -0.499 1.996 539 1HG1 VAL 66 HG11 VAL 66 12.075 -1.355 2.551 540 2HG1 VAL 66 HG12 VAL 66 10.718 -1.533 3.661 541 3HG1 VAL 66 HG13 VAL 66 10.730 -2.414 2.135 542 1HG2 VAL 66 HG22 VAL 66 11.602 1.307 2.434 543 2HG2 VAL 66 HG23 VAL 66 9.889 1.733 2.404 544 3HG2 VAL 66 HG21 VAL 66 10.545 0.798 3.748 545 H TYR 67 HN TYR 67 8.282 -0.478 -0.086 546 HA TYR 67 HA TYR 67 7.943 1.686 -1.926 547 1HB TYR 67 HB2 TYR 67 6.085 -0.321 -0.651 548 2HB TYR 67 HB3 TYR 67 5.460 1.008 -1.612 549 HD1 TYR 67 HD2 TYR 67 7.269 1.181 -3.861 550 HD2 TYR 67 HD1 TYR 67 5.701 -2.251 -1.892 551 HE1 TYR 67 HE2 TYR 67 7.507 -0.101 -5.934 552 HE2 TYR 67 HE1 TYR 67 5.904 -3.557 -3.969 553 HH TYR 67 HH TYR 67 6.459 -2.126 -6.977 554 H CYS 68 HN CYS 68 7.110 3.647 -1.588 555 HA CYS 68 HA CYS 68 5.749 4.289 0.913 556 1HB CYS 68 HB2 CYS 68 8.167 4.954 1.162 557 2HB CYS 68 HB3 CYS 68 7.947 6.070 -0.177 558 HG CYS 68 HG CYS 68 6.391 6.401 2.501 559 H LEU 69 HN LEU 69 4.812 6.585 0.709 560 HA LEU 69 HA LEU 69 3.666 6.803 -1.995 561 1HB LEU 69 HB2 LEU 69 2.357 6.343 0.334 562 2HB LEU 69 HB3 LEU 69 2.248 8.088 0.244 563 HG LEU 69 HG LEU 69 1.184 7.924 -1.956 564 1HD1 LEU 69 HD11 LEU 69 2.030 5.126 -1.712 565 2HD1 LEU 69 HD12 LEU 69 0.362 5.331 -2.244 566 3HD1 LEU 69 HD13 LEU 69 1.670 6.087 -3.147 567 1HD2 LEU 69 HD22 LEU 69 -0.079 7.797 0.257 568 2HD2 LEU 69 HD23 LEU 69 -0.929 7.270 -1.194 569 3HD2 LEU 69 HD21 LEU 69 -0.260 6.078 -0.082 570 HA PRO 70 HA PRO 70 5.425 10.934 -2.385 571 1HB PRO 70 HB2 PRO 70 3.252 11.383 -4.343 572 2HB PRO 70 HB3 PRO 70 4.999 11.442 -4.571 573 1HG PRO 70 HG2 PRO 70 3.538 9.452 -5.572 574 2HG PRO 70 HG3 PRO 70 5.152 9.151 -4.897 575 1HD PRO 70 HD2 PRO 70 2.459 8.707 -3.638 576 2HD PRO 70 HD3 PRO 70 3.875 7.637 -3.685 577 H ALA 71 HN ALA 71 3.588 12.972 -3.357 578 HA ALA 71 HA ALA 71 2.541 13.961 -0.849 579 1HB ALA 71 HB2 ALA 71 3.614 15.386 -2.643 580 2HB ALA 71 HB3 ALA 71 2.129 15.184 -3.568 581 3HB ALA 71 HB1 ALA 71 2.089 15.981 -1.995 582 H GLU 72 HN GLU 72 0.256 15.313 -2.076 583 HA GLU 72 HA GLU 72 -1.743 13.320 -1.570 584 1HB GLU 72 HB2 GLU 72 -2.032 16.165 -2.573 585 2HB GLU 72 HB3 GLU 72 -3.357 15.137 -2.046 586 1HG GLU 72 HG2 GLU 72 -1.535 15.080 0.065 587 2HG GLU 72 HG3 GLU 72 -1.529 16.753 -0.483 588 H LEU 73 HN LEU 73 -0.895 11.897 -3.338 589 HA LEU 73 HA LEU 73 -1.815 12.602 -6.034 590 1HB LEU 73 HB2 LEU 73 0.503 11.553 -5.433 591 2HB LEU 73 HB3 LEU 73 -0.389 10.048 -5.346 592 HG LEU 73 HG LEU 73 -1.192 10.563 -7.719 593 1HD1 LEU 73 HD12 LEU 73 0.974 12.631 -7.440 594 2HD1 LEU 73 HD13 LEU 73 0.426 12.011 -8.998 595 3HD1 LEU 73 HD11 LEU 73 -0.699 12.865 -7.945 596 1HD2 LEU 73 HD23 LEU 73 1.708 10.009 -7.135 597 2HD2 LEU 73 HD21 LEU 73 0.404 8.838 -7.325 598 3HD2 LEU 73 HD22 LEU 73 0.950 9.780 -8.713 599 H GLY 74 HN GLY 74 -4.033 12.412 -5.774 600 1HA GLY 74 HA1 GLY 74 -5.285 10.018 -6.307 601 2HA GLY 74 HA2 GLY 74 -5.312 10.176 -4.553 602 H VAL 75 HN VAL 75 -7.420 10.333 -6.728 603 HA VAL 75 HA VAL 75 -8.404 12.892 -7.052 604 HB VAL 75 HB VAL 75 -10.658 11.809 -7.390 605 1HG1 VAL 75 HG23 VAL 75 -8.875 12.085 -9.157 606 2HG1 VAL 75 HG21 VAL 75 -8.459 10.396 -8.873 607 3HG1 VAL 75 HG22 VAL 75 -10.067 10.821 -9.456 608 1HG2 VAL 75 HG13 VAL 75 -10.410 9.950 -5.814 609 2HG2 VAL 75 HG11 VAL 75 -10.766 9.369 -7.438 610 3HG2 VAL 75 HG12 VAL 75 -9.123 9.276 -6.808 611 HA PRO 76 HA PRO 76 -9.934 14.201 -3.116 612 1HB PRO 76 HB2 PRO 76 -11.779 16.037 -3.913 613 2HB PRO 76 HB3 PRO 76 -10.037 16.298 -4.034 614 1HG PRO 76 HG2 PRO 76 -11.968 15.410 -6.149 615 2HG PRO 76 HG3 PRO 76 -10.676 16.620 -6.251 616 1HD PRO 76 HD2 PRO 76 -10.365 14.118 -7.197 617 2HD PRO 76 HD3 PRO 76 -9.022 15.033 -6.484 618 H THR 77 HN THR 77 -12.026 12.637 -5.360 619 HA THR 77 HA THR 77 -14.399 12.679 -3.726 620 HB THR 77 HB THR 77 -14.402 12.536 -6.220 621 HG1 THR 77 HG1 THR 77 -16.129 11.642 -4.765 622 1HG2 THR 77 HG23 THR 77 -12.502 10.739 -6.247 623 2HG2 THR 77 HG22 THR 77 -13.850 9.609 -6.131 624 3HG2 THR 77 HG21 THR 77 -13.761 10.742 -7.479 625 H THR 78 HN THR 78 -11.799 11.479 -2.648 626 HA THR 78 HA THR 78 -13.035 9.203 -1.342 627 HB THR 78 HB THR 78 -10.690 7.976 -1.778 628 HG1 THR 78 HG1 THR 78 -10.340 9.932 -3.335 629 1HG2 THR 78 HG23 THR 78 -12.960 7.091 -2.319 630 2HG2 THR 78 HG22 THR 78 -12.809 7.859 -3.899 631 3HG2 THR 78 HG21 THR 78 -11.674 6.599 -3.418 No H/Q in entry = 631 Start of MODEL 8 1 1H MET 1 HT1 MET 1 -14.329 -4.710 16.623 2 2H MET 1 HT3 MET 1 -13.641 -3.535 17.674 3 3H MET 1 HT2 MET 1 -15.045 -3.151 16.760 4 HA MET 1 HA MET 1 -13.193 -2.134 15.774 5 1HB MET 1 HB2 MET 1 -12.041 -4.938 15.702 6 2HB MET 1 HB3 MET 1 -11.332 -3.541 14.905 7 1HG MET 1 HG2 MET 1 -11.420 -2.530 17.340 8 2HG MET 1 HG3 MET 1 -11.412 -4.233 17.791 9 1HE MET 1 HE3 MET 1 -10.038 -5.847 16.498 10 2HE MET 1 HE1 MET 1 -8.762 -5.405 15.368 11 3HE MET 1 HE2 MET 1 -8.374 -5.730 17.059 12 H ARG 2 HN ARG 2 -14.319 -1.564 14.010 13 HA ARG 2 HA ARG 2 -15.500 -3.582 12.247 14 1HB ARG 2 HB2 ARG 2 -15.660 -0.570 12.322 15 2HB ARG 2 HB3 ARG 2 -16.408 -1.532 11.059 16 1HG ARG 2 HG2 ARG 2 -17.035 -1.887 13.983 17 2HG ARG 2 HG3 ARG 2 -17.930 -0.799 12.919 18 1HD ARG 2 HD2 ARG 2 -19.227 -2.683 12.768 19 2HD ARG 2 HD3 ARG 2 -18.133 -2.937 11.408 20 HE ARG 2 HE ARG 2 -17.359 -4.114 13.975 21 1HH1 ARG 2 HH12 ARG 2 -18.804 -4.598 10.816 22 2HH1 ARG 2 HH11 ARG 2 -18.608 -6.330 10.852 23 1HH2 ARG 2 HH22 ARG 2 -17.113 -6.381 14.027 24 2HH2 ARG 2 HH21 ARG 2 -17.654 -7.343 12.678 25 H SER 3 HN SER 3 -13.115 -4.166 11.927 26 HA SER 3 HA SER 3 -11.522 -2.550 10.193 27 1HB SER 3 HB2 SER 3 -11.132 -5.517 10.611 28 2HB SER 3 HB3 SER 3 -9.918 -4.277 10.307 29 HG SER 3 HG SER 3 -10.378 -3.427 12.392 30 H SER 4 HN SER 4 -12.012 -2.197 8.142 31 HA SER 4 HA SER 4 -12.509 -2.491 5.959 32 1HB SER 4 HB2 SER 4 -12.453 -5.487 6.351 33 2HB SER 4 HB3 SER 4 -12.079 -4.565 4.897 34 HG SER 4 HG SER 4 -10.104 -4.240 5.597 35 H ALA 5 HN ALA 5 -14.632 -1.914 7.509 36 HA ALA 5 HA ALA 5 -16.848 -3.727 7.103 37 1HB ALA 5 HB1 ALA 5 -16.751 -0.864 8.063 38 2HB ALA 5 HB2 ALA 5 -18.230 -1.820 7.948 39 3HB ALA 5 HB3 ALA 5 -16.939 -2.321 9.037 40 H LYS 6 HN LYS 6 -16.299 -0.389 5.974 41 HA LYS 6 HA LYS 6 -17.903 -0.897 3.568 42 1HB LYS 6 HB2 LYS 6 -16.564 1.662 4.503 43 2HB LYS 6 HB3 LYS 6 -17.666 1.507 3.141 44 1HG LYS 6 HG2 LYS 6 -19.514 1.067 4.581 45 2HG LYS 6 HG3 LYS 6 -18.462 0.880 5.979 46 1HD LYS 6 HD2 LYS 6 -19.538 3.045 6.074 47 2HD LYS 6 HD3 LYS 6 -17.811 3.255 5.785 48 1HE LYS 6 HE2 LYS 6 -19.214 4.756 4.402 49 2HE LYS 6 HE3 LYS 6 -18.202 3.678 3.443 50 1HZ LYS 6 HZ3 LYS 6 -21.069 3.189 4.047 51 2HZ LYS 6 HZ2 LYS 6 -20.488 3.866 2.595 52 3HZ LYS 6 HZ1 LYS 6 -20.080 2.268 3.013 53 H GLN 7 HN GLN 7 -16.942 -0.545 1.427 54 HA GLN 7 HA GLN 7 -14.291 -1.599 1.319 55 1HB GLN 7 HB2 GLN 7 -16.290 -1.879 -0.382 56 2HB GLN 7 HB3 GLN 7 -15.509 -0.510 -1.160 57 1HG GLN 7 HG2 GLN 7 -14.562 -2.401 -2.175 58 2HG GLN 7 HG3 GLN 7 -13.352 -1.834 -1.021 59 1HE2 GLN 7 HE22 GLN 7 -13.175 -5.301 -0.304 60 2HE2 GLN 7 HE21 GLN 7 -12.524 -4.049 -1.301 61 H GLU 8 HN GLU 8 -15.367 1.614 1.551 62 HA GLU 8 HA GLU 8 -13.102 2.781 0.146 63 1HB GLU 8 HB2 GLU 8 -13.966 4.917 1.251 64 2HB GLU 8 HB3 GLU 8 -14.979 4.154 0.040 65 1HG GLU 8 HG2 GLU 8 -16.497 3.353 1.638 66 2HG GLU 8 HG3 GLU 8 -15.379 3.649 2.971 67 H GLU 9 HN GLU 9 -12.489 0.885 2.145 68 HA GLU 9 HA GLU 9 -10.997 2.524 4.108 69 1HB GLU 9 HB2 GLU 9 -12.426 -0.087 4.489 70 2HB GLU 9 HB3 GLU 9 -11.009 0.280 5.463 71 1HG GLU 9 HG2 GLU 9 -12.036 1.984 6.588 72 2HG GLU 9 HG3 GLU 9 -13.172 2.314 5.284 73 H LEU 10 HN LEU 10 -11.026 -0.281 1.992 74 HA LEU 10 HA LEU 10 -8.500 -1.345 2.281 75 1HB LEU 10 HB2 LEU 10 -10.260 -2.257 0.831 76 2HB LEU 10 HB3 LEU 10 -10.077 -0.906 -0.266 77 HG LEU 10 HG LEU 10 -7.940 -1.693 -1.014 78 1HD1 LEU 10 HD13 LEU 10 -8.063 -3.350 1.438 79 2HD1 LEU 10 HD11 LEU 10 -7.305 -4.080 0.029 80 3HD1 LEU 10 HD12 LEU 10 -6.687 -2.561 0.673 81 1HD2 LEU 10 HD23 LEU 10 -10.170 -2.854 -1.708 82 2HD2 LEU 10 HD21 LEU 10 -8.635 -3.562 -2.203 83 3HD2 LEU 10 HD22 LEU 10 -9.511 -4.234 -0.829 84 H VAL 11 HN VAL 11 -9.419 1.667 0.810 85 HA VAL 11 HA VAL 11 -6.901 2.216 -0.475 86 HB VAL 11 HB VAL 11 -9.215 4.054 0.248 87 1HG1 VAL 11 HG12 VAL 11 -6.582 4.608 -0.971 88 2HG1 VAL 11 HG13 VAL 11 -7.972 5.305 -1.797 89 3HG1 VAL 11 HG11 VAL 11 -7.679 5.677 -0.101 90 1HG2 VAL 11 HG23 VAL 11 -8.489 2.642 -2.309 91 2HG2 VAL 11 HG21 VAL 11 -9.941 2.427 -1.336 92 3HG2 VAL 11 HG22 VAL 11 -9.680 3.935 -2.207 93 H LYS 12 HN LYS 12 -8.470 3.383 2.571 94 HA LYS 12 HA LYS 12 -6.357 5.080 3.357 95 1HB LYS 12 HB2 LYS 12 -8.500 3.693 4.958 96 2HB LYS 12 HB3 LYS 12 -7.294 4.718 5.717 97 1HG LYS 12 HG2 LYS 12 -8.767 6.366 5.383 98 2HG LYS 12 HG3 LYS 12 -8.178 6.344 3.722 99 1HD LYS 12 HD2 LYS 12 -10.362 6.072 3.213 100 2HD LYS 12 HD3 LYS 12 -10.019 4.391 3.593 101 1HE LYS 12 HE2 LYS 12 -11.813 4.634 4.974 102 2HE LYS 12 HE3 LYS 12 -10.592 5.274 6.064 103 1HZ LYS 12 HZ2 LYS 12 -11.342 7.434 4.570 104 2HZ LYS 12 HZ1 LYS 12 -12.807 6.603 4.831 105 3HZ LYS 12 HZ3 LYS 12 -11.850 7.082 6.157 106 H ALA 13 HN ALA 13 -6.969 1.658 3.992 107 HA ALA 13 HA ALA 13 -4.776 1.197 5.730 108 1HB ALA 13 HB3 ALA 13 -6.699 -0.337 5.521 109 2HB ALA 13 HB1 ALA 13 -6.145 -0.793 3.907 110 3HB ALA 13 HB2 ALA 13 -5.153 -1.160 5.321 111 H PHE 14 HN PHE 14 -5.124 0.879 2.193 112 HA PHE 14 HA PHE 14 -2.608 -0.210 1.620 113 1HB PHE 14 HB2 PHE 14 -4.607 0.093 0.031 114 2HB PHE 14 HB3 PHE 14 -4.037 1.732 -0.221 115 HD1 PHE 14 HD1 PHE 14 -3.168 -1.848 -0.579 116 HD2 PHE 14 HD2 PHE 14 -2.157 2.159 -1.616 117 HE1 PHE 14 HE1 PHE 14 -1.585 -2.683 -2.259 118 HE2 PHE 14 HE2 PHE 14 -0.567 1.321 -3.297 119 HZ PHE 14 HZ PHE 14 -0.284 -1.093 -3.612 120 H LYS 15 HN LYS 15 -3.551 3.214 1.212 121 HA LYS 15 HA LYS 15 -1.080 4.309 0.748 122 1HB LYS 15 HB2 LYS 15 -3.227 5.710 2.361 123 2HB LYS 15 HB3 LYS 15 -2.077 6.428 1.236 124 1HG LYS 15 HG2 LYS 15 -4.031 4.425 0.203 125 2HG LYS 15 HG3 LYS 15 -4.600 6.046 0.558 126 1HD LYS 15 HD2 LYS 15 -2.103 5.841 -0.996 127 2HD LYS 15 HD3 LYS 15 -3.541 5.234 -1.791 128 1HE LYS 15 HE2 LYS 15 -2.794 7.783 -2.002 129 2HE LYS 15 HE3 LYS 15 -4.491 7.298 -1.987 130 1HZ LYS 15 HZ3 LYS 15 -4.012 7.622 0.635 131 2HZ LYS 15 HZ2 LYS 15 -2.994 8.812 -0.025 132 3HZ LYS 15 HZ1 LYS 15 -4.660 8.814 -0.381 133 H ALA 16 HN ALA 16 -2.587 3.718 3.893 134 HA ALA 16 HA ALA 16 -0.705 5.043 5.508 135 1HB ALA 16 HB1 ALA 16 -2.536 2.736 6.176 136 2HB ALA 16 HB2 ALA 16 -1.620 3.671 7.359 137 3HB ALA 16 HB3 ALA 16 -2.868 4.455 6.390 138 H LEU 17 HN LEU 17 -0.932 1.579 4.621 139 HA LEU 17 HA LEU 17 1.264 0.620 6.039 140 1HB LEU 17 HB2 LEU 17 0.088 -0.282 3.405 141 2HB LEU 17 HB3 LEU 17 1.373 -1.158 4.205 142 HG LEU 17 HG LEU 17 -1.363 -0.673 5.361 143 1HD1 LEU 17 HD13 LEU 17 -0.155 -3.073 4.011 144 2HD1 LEU 17 HD11 LEU 17 -1.651 -3.115 4.949 145 3HD1 LEU 17 HD12 LEU 17 -1.556 -2.136 3.483 146 1HD2 LEU 17 HD23 LEU 17 0.779 -1.117 6.862 147 2HD2 LEU 17 HD21 LEU 17 -0.781 -1.846 7.222 148 3HD2 LEU 17 HD22 LEU 17 0.457 -2.777 6.381 149 H LEU 18 HN LEU 18 1.169 1.851 2.707 150 HA LEU 18 HA LEU 18 3.897 1.430 2.104 151 1HB LEU 18 HB2 LEU 18 2.126 3.640 1.060 152 2HB LEU 18 HB3 LEU 18 3.611 3.068 0.323 153 HG LEU 18 HG LEU 18 1.202 1.306 0.689 154 1HD1 LEU 18 HD13 LEU 18 1.184 3.547 -0.849 155 2HD1 LEU 18 HD11 LEU 18 1.744 2.322 -1.994 156 3HD1 LEU 18 HD12 LEU 18 0.220 2.101 -1.142 157 1HD2 LEU 18 HD22 LEU 18 3.373 0.177 0.350 158 2HD2 LEU 18 HD23 LEU 18 2.259 -0.073 -0.995 159 3HD2 LEU 18 HD21 LEU 18 3.575 1.085 -1.151 160 H LYS 19 HN LYS 19 2.259 4.297 3.414 161 HA LYS 19 HA LYS 19 4.553 5.912 3.525 162 1HB LYS 19 HB2 LYS 19 1.929 6.065 4.998 163 2HB LYS 19 HB3 LYS 19 3.167 7.317 5.086 164 1HG LYS 19 HG2 LYS 19 3.015 7.660 2.680 165 2HG LYS 19 HG3 LYS 19 1.813 6.376 2.549 166 1HD LYS 19 HD2 LYS 19 0.449 8.238 2.635 167 2HD LYS 19 HD3 LYS 19 0.540 7.825 4.343 168 1HE LYS 19 HE2 LYS 19 0.841 10.234 3.966 169 2HE LYS 19 HE3 LYS 19 2.273 9.499 4.686 170 1HZ LYS 19 HZ1 LYS 19 1.968 10.010 1.775 171 2HZ LYS 19 HZ3 LYS 19 2.739 11.084 2.847 172 3HZ LYS 19 HZ2 LYS 19 3.381 9.531 2.598 173 H GLU 20 HN GLU 20 3.941 3.193 5.428 174 HA GLU 20 HA GLU 20 5.145 4.135 7.895 175 1HB GLU 20 HB2 GLU 20 4.473 1.360 6.894 176 2HB GLU 20 HB3 GLU 20 5.221 1.670 8.453 177 1HG GLU 20 HG2 GLU 20 3.264 2.978 9.135 178 2HG GLU 20 HG3 GLU 20 2.514 2.655 7.576 179 H GLU 21 HN GLU 21 6.240 2.843 4.860 180 HA GLU 21 HA GLU 21 8.279 2.349 3.992 181 1HB GLU 21 HB2 GLU 21 9.479 3.712 6.409 182 2HB GLU 21 HB3 GLU 21 10.238 3.453 4.847 183 1HG GLU 21 HG2 GLU 21 8.803 5.041 3.793 184 2HG GLU 21 HG3 GLU 21 7.802 5.182 5.235 185 H LYS 22 HN LYS 22 7.194 0.264 5.012 186 HA LYS 22 HA LYS 22 9.219 -1.140 6.645 187 1HB LYS 22 HB2 LYS 22 7.326 -0.782 8.038 188 2HB LYS 22 HB3 LYS 22 6.200 -1.198 6.756 189 1HG LYS 22 HG2 LYS 22 6.457 -3.453 7.066 190 2HG LYS 22 HG3 LYS 22 8.085 -3.293 7.728 191 1HD LYS 22 HD2 LYS 22 7.328 -3.101 9.836 192 2HD LYS 22 HD3 LYS 22 6.075 -1.954 9.363 193 1HE LYS 22 HE2 LYS 22 4.892 -3.792 10.197 194 2HE LYS 22 HE3 LYS 22 4.800 -3.979 8.445 195 1HZ LYS 22 HZ3 LYS 22 6.937 -5.416 8.858 196 2HZ LYS 22 HZ2 LYS 22 6.286 -5.555 10.425 197 3HZ LYS 22 HZ1 LYS 22 5.383 -6.081 9.076 198 H PHE 23 HN PHE 23 6.637 -1.510 4.242 199 HA PHE 23 HA PHE 23 7.424 -4.195 3.536 200 1HB PHE 23 HB2 PHE 23 5.441 -2.357 2.171 201 2HB PHE 23 HB3 PHE 23 5.537 -4.119 2.020 202 HD1 PHE 23 HD1 PHE 23 5.367 -5.453 4.255 203 HD2 PHE 23 HD2 PHE 23 4.010 -1.448 3.800 204 HE1 PHE 23 HE1 PHE 23 3.958 -5.709 6.248 205 HE2 PHE 23 HE2 PHE 23 2.610 -1.697 5.799 206 HZ PHE 23 HZ PHE 23 2.567 -3.832 7.020 207 H SER 24 HN SER 24 8.767 -4.793 1.967 208 HA SER 24 HA SER 24 9.869 -2.733 0.187 209 1HB SER 24 HB2 SER 24 11.275 -5.317 0.283 210 2HB SER 24 HB3 SER 24 11.910 -3.684 0.389 211 HG SER 24 HG SER 24 12.224 -4.291 2.402 212 H SER 25 HN SER 25 7.717 -5.299 0.041 213 HA SER 25 HA SER 25 7.782 -5.199 -2.861 214 1HB SER 25 HB2 SER 25 7.534 -7.797 -2.885 215 2HB SER 25 HB3 SER 25 9.140 -7.088 -2.764 216 HG SER 25 HG SER 25 8.613 -7.313 -0.333 217 H GLN 26 HN GLN 26 5.892 -6.268 -3.822 218 HA GLN 26 HA GLN 26 3.466 -5.344 -2.798 219 1HB GLN 26 HB2 GLN 26 3.543 -7.718 -4.626 220 2HB GLN 26 HB3 GLN 26 2.489 -6.335 -4.643 221 1HG GLN 26 HG2 GLN 26 4.420 -4.934 -5.381 222 2HG GLN 26 HG3 GLN 26 5.361 -6.419 -5.525 223 1HE2 GLN 26 HE22 GLN 26 3.666 -5.330 -8.753 224 2HE2 GLN 26 HE21 GLN 26 4.438 -4.394 -7.521 225 H GLY 27 HN GLY 27 4.487 -8.746 -3.018 226 1HA GLY 27 HA1 GLY 27 2.520 -10.080 -1.736 227 2HA GLY 27 HA2 GLY 27 4.199 -10.536 -1.577 228 H GLU 28 HN GLU 28 5.018 -8.228 -0.010 229 HA GLU 28 HA GLU 28 4.357 -9.190 2.581 230 1HB GLU 28 HB2 GLU 28 5.745 -6.595 1.873 231 2HB GLU 28 HB3 GLU 28 5.799 -7.437 3.420 232 1HG GLU 28 HG2 GLU 28 6.869 -9.362 2.256 233 2HG GLU 28 HG3 GLU 28 6.955 -8.369 0.805 234 H ILE 29 HN ILE 29 3.318 -6.297 0.767 235 HA ILE 29 HA ILE 29 1.728 -5.314 2.967 236 HB ILE 29 HB ILE 29 2.133 -3.438 1.868 237 1HG1 ILE 29 HG12 ILE 29 0.008 -4.325 -0.087 238 2HG1 ILE 29 HG13 ILE 29 -0.305 -3.646 1.509 239 1HG2 ILE 29 HG21 ILE 29 3.689 -4.542 0.314 240 2HG2 ILE 29 HG22 ILE 29 2.344 -4.820 -0.787 241 3HG2 ILE 29 HG23 ILE 29 2.841 -3.180 -0.404 242 1HD1 ILE 29 HD11 ILE 29 1.288 -1.734 0.488 243 2HD1 ILE 29 HD12 ILE 29 0.519 -2.325 -0.985 244 3HD1 ILE 29 HD13 ILE 29 -0.468 -1.731 0.351 245 H VAL 30 HN VAL 30 1.256 -7.573 0.399 246 HA VAL 30 HA VAL 30 -1.601 -7.589 0.287 247 HB VAL 30 HB VAL 30 0.276 -9.933 -0.179 248 1HG1 VAL 30 HG12 VAL 30 -2.056 -10.595 0.117 249 2HG1 VAL 30 HG13 VAL 30 -2.538 -9.458 -1.142 250 3HG1 VAL 30 HG11 VAL 30 -1.524 -10.842 -1.543 251 1HG2 VAL 30 HG23 VAL 30 0.463 -7.697 -1.617 252 2HG2 VAL 30 HG21 VAL 30 0.650 -9.294 -2.325 253 3HG2 VAL 30 HG22 VAL 30 -0.883 -8.445 -2.459 254 H ALA 31 HN ALA 31 0.789 -9.521 2.063 255 HA ALA 31 HA ALA 31 -0.972 -11.031 3.647 256 1HB ALA 31 HB1 ALA 31 1.913 -10.243 3.970 257 2HB ALA 31 HB2 ALA 31 1.083 -11.254 5.151 258 3HB ALA 31 HB3 ALA 31 1.238 -11.799 3.481 259 H ALA 32 HN ALA 32 0.498 -7.850 4.179 260 HA ALA 32 HA ALA 32 -0.228 -7.469 6.860 261 1HB ALA 32 HB1 ALA 32 1.386 -6.063 5.630 262 2HB ALA 32 HB2 ALA 32 0.044 -5.333 4.749 263 3HB ALA 32 HB3 ALA 32 0.171 -5.122 6.496 264 H LEU 33 HN LEU 33 -1.996 -6.559 3.883 265 HA LEU 33 HA LEU 33 -4.209 -5.410 5.230 266 1HB LEU 33 HB2 LEU 33 -4.074 -6.586 2.454 267 2HB LEU 33 HB3 LEU 33 -5.401 -5.616 3.074 268 HG LEU 33 HG LEU 33 -2.632 -4.468 3.087 269 1HD1 LEU 33 HD13 LEU 33 -2.955 -5.365 0.822 270 2HD1 LEU 33 HD11 LEU 33 -4.459 -4.453 0.693 271 3HD1 LEU 33 HD12 LEU 33 -2.923 -3.604 0.854 272 1HD2 LEU 33 HD21 LEU 33 -5.423 -3.356 2.883 273 2HD2 LEU 33 HD22 LEU 33 -4.278 -3.175 4.210 274 3HD2 LEU 33 HD23 LEU 33 -3.967 -2.388 2.665 275 H GLN 34 HN GLN 34 -3.494 -8.737 4.253 276 HA GLN 34 HA GLN 34 -6.064 -9.844 4.696 277 1HB GLN 34 HB2 GLN 34 -3.300 -11.057 4.875 278 2HB GLN 34 HB3 GLN 34 -4.762 -11.999 5.126 279 1HG GLN 34 HG2 GLN 34 -5.478 -11.687 2.900 280 2HG GLN 34 HG3 GLN 34 -4.283 -10.423 2.614 281 1HE2 GLN 34 HE22 GLN 34 -2.867 -13.278 0.929 282 2HE2 GLN 34 HE21 GLN 34 -4.117 -12.096 0.732 283 H GLU 35 HN GLU 35 -3.360 -9.157 6.885 284 HA GLU 35 HA GLU 35 -4.567 -10.302 9.229 285 1HB GLU 35 HB2 GLU 35 -2.338 -8.260 8.986 286 2HB GLU 35 HB3 GLU 35 -2.783 -9.108 10.460 287 1HG GLU 35 HG2 GLU 35 -2.084 -11.205 9.551 288 2HG GLU 35 HG3 GLU 35 -1.834 -10.491 7.962 289 H GLN 36 HN GLN 36 -4.558 -7.103 7.729 290 HA GLN 36 HA GLN 36 -5.524 -5.557 9.850 291 1HB GLN 36 HB2 GLN 36 -5.822 -5.237 6.865 292 2HB GLN 36 HB3 GLN 36 -6.439 -4.049 7.998 293 1HG GLN 36 HG2 GLN 36 -3.584 -4.893 8.193 294 2HG GLN 36 HG3 GLN 36 -4.067 -3.795 6.906 295 1HE2 GLN 36 HE22 GLN 36 -4.048 -1.014 8.968 296 2HE2 GLN 36 HE21 GLN 36 -4.032 -1.696 7.380 297 H GLY 37 HN GLY 37 -7.389 -7.193 7.268 298 1HA GLY 37 HA1 GLY 37 -9.456 -8.186 8.722 299 2HA GLY 37 HA2 GLY 37 -9.903 -6.495 8.541 300 H PHE 38 HN PHE 38 -8.220 -7.262 5.796 301 HA PHE 38 HA PHE 38 -10.700 -7.372 4.291 302 1HB PHE 38 HB2 PHE 38 -7.845 -7.244 3.290 303 2HB PHE 38 HB3 PHE 38 -9.303 -6.971 2.337 304 HD1 PHE 38 HD2 PHE 38 -7.271 -5.653 5.110 305 HD2 PHE 38 HD1 PHE 38 -10.474 -4.901 2.433 306 HE1 PHE 38 HE2 PHE 38 -7.288 -3.318 5.828 307 HE2 PHE 38 HE1 PHE 38 -10.494 -2.543 3.145 308 HZ PHE 38 HZ PHE 38 -8.896 -1.751 4.839 309 H ASP 39 HN ASP 39 -10.969 -8.847 2.450 310 HA ASP 39 HA ASP 39 -9.723 -11.443 2.736 311 1HB ASP 39 HB2 ASP 39 -11.859 -12.625 2.707 312 2HB ASP 39 HB3 ASP 39 -11.791 -11.552 4.099 313 H ASN 40 HN ASN 40 -9.418 -12.410 0.923 314 HA ASN 40 HA ASN 40 -9.337 -12.969 -1.299 315 1HB ASN 40 HB2 ASN 40 -11.546 -10.942 -1.768 316 2HB ASN 40 HB3 ASN 40 -10.901 -12.051 -2.961 317 1HD2 ASN 40 HD22 ASN 40 -13.961 -13.231 -0.882 318 2HD2 ASN 40 HD21 ASN 40 -13.484 -11.599 -1.170 319 H ILE 41 HN ILE 41 -7.652 -11.214 -0.035 320 HA ILE 41 HA ILE 41 -7.080 -9.078 -1.954 321 HB ILE 41 HB ILE 41 -6.446 -9.534 0.918 322 1HG1 ILE 41 HG12 ILE 41 -7.014 -7.219 1.116 323 2HG1 ILE 41 HG13 ILE 41 -6.834 -6.961 -0.613 324 1HG2 ILE 41 HG22 ILE 41 -4.519 -8.221 -0.961 325 2HG2 ILE 41 HG23 ILE 41 -4.654 -7.713 0.717 326 3HG2 ILE 41 HG21 ILE 41 -4.209 -9.372 0.340 327 1HD1 ILE 41 HD12 ILE 41 -8.945 -8.694 0.611 328 2HD1 ILE 41 HD13 ILE 41 -9.169 -7.009 0.144 329 3HD1 ILE 41 HD11 ILE 41 -8.798 -8.219 -1.081 330 H ASN 42 HN ASN 42 -5.800 -9.581 -3.552 331 HA ASN 42 HA ASN 42 -3.698 -11.633 -3.196 332 1HB ASN 42 HB2 ASN 42 -3.932 -11.967 -5.710 333 2HB ASN 42 HB3 ASN 42 -5.286 -12.511 -4.731 334 1HD2 ASN 42 HD22 ASN 42 -7.608 -10.518 -6.335 335 2HD2 ASN 42 HD21 ASN 42 -7.254 -11.797 -5.224 336 H GLN 43 HN GLN 43 -1.961 -11.431 -4.973 337 HA GLN 43 HA GLN 43 -0.505 -9.064 -4.542 338 1HB GLN 43 HB2 GLN 43 0.167 -11.538 -5.338 339 2HB GLN 43 HB3 GLN 43 0.195 -10.737 -6.902 340 1HG GLN 43 HG2 GLN 43 1.872 -9.219 -6.193 341 2HG GLN 43 HG3 GLN 43 1.695 -9.704 -4.507 342 1HE2 GLN 43 HE22 GLN 43 3.506 -12.744 -4.894 343 2HE2 GLN 43 HE21 GLN 43 2.188 -12.009 -4.039 344 H SER 44 HN SER 44 -2.413 -10.105 -7.362 345 HA SER 44 HA SER 44 -1.742 -8.091 -9.138 346 1HB SER 44 HB2 SER 44 -4.426 -9.386 -8.898 347 2HB SER 44 HB3 SER 44 -3.709 -8.693 -10.331 348 HG SER 44 HG SER 44 -2.701 -10.939 -8.914 349 H LYS 45 HN LYS 45 -4.167 -8.087 -6.578 350 HA LYS 45 HA LYS 45 -5.313 -5.552 -7.188 351 1HB LYS 45 HB2 LYS 45 -6.664 -6.933 -5.872 352 2HB LYS 45 HB3 LYS 45 -5.341 -7.416 -4.828 353 1HG LYS 45 HG2 LYS 45 -6.264 -4.577 -4.754 354 2HG LYS 45 HG3 LYS 45 -7.226 -5.823 -3.981 355 1HD LYS 45 HD2 LYS 45 -5.769 -6.100 -2.295 356 2HD LYS 45 HD3 LYS 45 -4.366 -6.001 -3.350 357 1HE LYS 45 HE2 LYS 45 -4.614 -4.176 -1.609 358 2HE LYS 45 HE3 LYS 45 -4.349 -3.641 -3.264 359 1HZ LYS 45 HZ2 LYS 45 -6.821 -3.387 -3.436 360 2HZ LYS 45 HZ1 LYS 45 -6.910 -3.666 -1.766 361 3HZ LYS 45 HZ3 LYS 45 -6.071 -2.319 -2.353 362 H VAL 46 HN VAL 46 -2.513 -6.579 -5.363 363 HA VAL 46 HA VAL 46 -2.058 -4.049 -4.051 364 HB VAL 46 HB VAL 46 -0.547 -6.636 -4.164 365 1HG1 VAL 46 HG11 VAL 46 1.145 -4.859 -4.145 366 2HG1 VAL 46 HG12 VAL 46 0.362 -4.148 -2.729 367 3HG1 VAL 46 HG13 VAL 46 1.100 -5.746 -2.633 368 1HG2 VAL 46 HG22 VAL 46 -2.218 -5.131 -2.198 369 2HG2 VAL 46 HG23 VAL 46 -2.245 -6.840 -2.620 370 3HG2 VAL 46 HG21 VAL 46 -0.961 -6.202 -1.597 371 H SER 47 HN SER 47 -0.734 -5.733 -6.892 372 HA SER 47 HA SER 47 1.226 -3.739 -7.501 373 1HB SER 47 HB2 SER 47 1.419 -4.873 -9.679 374 2HB SER 47 HB3 SER 47 1.422 -6.038 -8.361 375 HG SER 47 HG SER 47 -0.029 -6.935 -9.626 376 H ARG 48 HN ARG 48 -2.142 -4.278 -8.443 377 HA ARG 48 HA ARG 48 -2.315 -2.248 -10.415 378 1HB ARG 48 HB2 ARG 48 -4.419 -3.582 -8.713 379 2HB ARG 48 HB3 ARG 48 -4.809 -2.358 -9.916 380 1HG ARG 48 HG2 ARG 48 -3.133 -4.640 -10.805 381 2HG ARG 48 HG3 ARG 48 -4.825 -4.968 -10.445 382 1HD ARG 48 HD2 ARG 48 -3.899 -2.787 -12.315 383 2HD ARG 48 HD3 ARG 48 -4.338 -4.415 -12.838 384 HE ARG 48 HE ARG 48 -6.416 -3.192 -11.294 385 1HH1 ARG 48 HH12 ARG 48 -4.979 -3.305 -14.487 386 2HH1 ARG 48 HH11 ARG 48 -6.448 -2.843 -15.302 387 1HH2 ARG 48 HH22 ARG 48 -8.325 -2.580 -12.340 388 2HH2 ARG 48 HH21 ARG 48 -8.359 -2.415 -14.075 389 H MET 49 HN MET 49 -3.102 -2.250 -6.935 390 HA MET 49 HA MET 49 -3.883 0.457 -6.797 391 1HB MET 49 HB2 MET 49 -3.056 -1.579 -4.770 392 2HB MET 49 HB3 MET 49 -3.156 0.107 -4.283 393 1HG MET 49 HG2 MET 49 -5.520 -0.029 -5.416 394 2HG MET 49 HG3 MET 49 -5.323 -1.749 -5.111 395 1HE MET 49 HE2 MET 49 -7.183 0.880 -4.076 396 2HE MET 49 HE3 MET 49 -7.847 -0.685 -3.600 397 3HE MET 49 HE1 MET 49 -7.532 0.549 -2.379 398 H LEU 50 HN LEU 50 -0.700 -1.064 -6.577 399 HA LEU 50 HA LEU 50 0.761 1.147 -5.590 400 1HB LEU 50 HB2 LEU 50 1.461 -1.302 -7.177 401 2HB LEU 50 HB3 LEU 50 2.653 -0.020 -7.057 402 HG LEU 50 HG LEU 50 1.412 -1.113 -4.574 403 1HD1 LEU 50 HD11 LEU 50 3.446 -2.462 -6.286 404 2HD1 LEU 50 HD12 LEU 50 3.518 -2.621 -4.534 405 3HD1 LEU 50 HD13 LEU 50 2.087 -3.156 -5.404 406 1HD2 LEU 50 HD23 LEU 50 3.979 0.247 -5.269 407 2HD2 LEU 50 HD21 LEU 50 2.718 0.752 -4.137 408 3HD2 LEU 50 HD22 LEU 50 3.755 -0.618 -3.750 409 H THR 51 HN THR 51 -0.061 0.132 -8.891 410 HA THR 51 HA THR 51 1.235 2.344 -10.185 411 HB THR 51 HB THR 51 -0.949 0.739 -11.497 412 HG1 THR 51 HG1 THR 51 0.156 -0.906 -10.554 413 1HG2 THR 51 HG23 THR 51 0.246 2.443 -12.808 414 2HG2 THR 51 HG22 THR 51 1.762 1.592 -12.497 415 3HG2 THR 51 HG21 THR 51 0.483 0.809 -13.429 416 H LYS 52 HN LYS 52 -2.041 1.649 -9.091 417 HA LYS 52 HA LYS 52 -3.355 3.819 -10.354 418 1HB LYS 52 HB2 LYS 52 -4.531 1.822 -9.514 419 2HB LYS 52 HB3 LYS 52 -4.131 2.274 -7.864 420 1HG LYS 52 HG2 LYS 52 -5.547 4.356 -9.371 421 2HG LYS 52 HG3 LYS 52 -6.461 2.868 -9.143 422 1HD LYS 52 HD2 LYS 52 -6.514 3.077 -6.850 423 2HD LYS 52 HD3 LYS 52 -5.054 4.065 -6.792 424 1HE LYS 52 HE2 LYS 52 -7.664 5.015 -7.958 425 2HE LYS 52 HE3 LYS 52 -7.202 5.278 -6.280 426 1HZ LYS 52 HZ2 LYS 52 -5.120 6.092 -8.026 427 2HZ LYS 52 HZ1 LYS 52 -6.575 6.859 -8.457 428 3HZ LYS 52 HZ3 LYS 52 -5.972 7.006 -6.870 429 H PHE 53 HN PHE 53 -1.823 3.487 -7.174 430 HA PHE 53 HA PHE 53 -2.637 6.184 -6.397 431 1HB PHE 53 HB2 PHE 53 -1.268 3.914 -4.946 432 2HB PHE 53 HB3 PHE 53 -1.352 5.530 -4.254 433 HD1 PHE 53 HD2 PHE 53 -3.977 6.490 -4.742 434 HD2 PHE 53 HD1 PHE 53 -2.746 2.494 -3.921 435 HE1 PHE 53 HE2 PHE 53 -6.215 5.977 -3.865 436 HE2 PHE 53 HE1 PHE 53 -4.975 1.993 -3.034 437 HZ PHE 53 HZ PHE 53 -6.714 3.729 -3.015 438 H GLY 54 HN GLY 54 0.122 4.607 -7.757 439 1HA GLY 54 HA1 GLY 54 2.045 5.566 -8.619 440 2HA GLY 54 HA2 GLY 54 1.515 7.120 -7.996 441 H ALA 55 HN ALA 55 2.481 3.970 -6.642 442 HA ALA 55 HA ALA 55 3.713 5.222 -4.348 443 1HB ALA 55 HB3 ALA 55 2.534 3.060 -4.183 444 2HB ALA 55 HB1 ALA 55 3.787 2.332 -5.188 445 3HB ALA 55 HB2 ALA 55 4.197 2.982 -3.600 446 H VAL 56 HN VAL 56 5.890 5.291 -3.846 447 HA VAL 56 HA VAL 56 7.788 4.710 -6.039 448 HB VAL 56 HB VAL 56 9.128 6.631 -5.348 449 1HG1 VAL 56 HG11 VAL 56 6.251 7.216 -6.022 450 2HG1 VAL 56 HG12 VAL 56 7.508 8.453 -6.015 451 3HG1 VAL 56 HG13 VAL 56 7.624 7.080 -7.118 452 1HG2 VAL 56 HG23 VAL 56 7.002 6.975 -3.250 453 2HG2 VAL 56 HG21 VAL 56 8.756 6.970 -3.067 454 3HG2 VAL 56 HG22 VAL 56 7.950 8.347 -3.817 455 H ARG 57 HN ARG 57 9.642 3.636 -5.508 456 HA ARG 57 HA ARG 57 9.839 2.565 -2.798 457 1HB ARG 57 HB2 ARG 57 11.549 1.992 -5.216 458 2HB ARG 57 HB3 ARG 57 11.611 1.134 -3.687 459 1HG ARG 57 HG2 ARG 57 9.462 0.185 -4.035 460 2HG ARG 57 HG3 ARG 57 9.148 1.236 -5.416 461 1HD ARG 57 HD2 ARG 57 9.729 -1.081 -6.061 462 2HD ARG 57 HD3 ARG 57 10.832 0.122 -6.720 463 HE ARG 57 HE ARG 57 11.438 -1.540 -4.338 464 1HH1 ARG 57 HH12 ARG 57 12.469 -0.020 -7.339 465 2HH1 ARG 57 HH11 ARG 57 14.110 -0.580 -7.189 466 1HH2 ARG 57 HH22 ARG 57 13.589 -2.280 -4.166 467 2HH2 ARG 57 HH21 ARG 57 14.739 -1.856 -5.408 468 H THR 58 HN THR 58 11.330 3.199 -1.321 469 HA THR 58 HA THR 58 13.591 4.870 -2.145 470 HB THR 58 HB THR 58 11.646 6.408 -1.790 471 HG1 THR 58 HG1 THR 58 13.372 7.561 -1.437 472 1HG2 THR 58 HG23 THR 58 10.583 5.148 0.070 473 2HG2 THR 58 HG22 THR 58 11.874 5.723 1.125 474 3HG2 THR 58 HG21 THR 58 10.780 6.876 0.360 475 H ARG 59 HN ARG 59 14.935 5.499 -0.189 476 HA ARG 59 HA ARG 59 15.405 3.112 1.407 477 1HB ARG 59 HB2 ARG 59 16.969 5.455 0.522 478 2HB ARG 59 HB3 ARG 59 17.321 4.912 2.149 479 1HG ARG 59 HG2 ARG 59 17.575 2.579 1.122 480 2HG ARG 59 HG3 ARG 59 17.666 3.428 -0.421 481 1HD ARG 59 HD2 ARG 59 19.402 4.306 1.866 482 2HD ARG 59 HD3 ARG 59 19.845 2.882 0.930 483 HE ARG 59 HE ARG 59 20.243 4.210 -0.939 484 1HH1 ARG 59 HH12 ARG 59 19.107 6.175 1.750 485 2HH1 ARG 59 HH11 ARG 59 19.597 7.671 1.015 486 1HH2 ARG 59 HH22 ARG 59 20.884 6.149 -1.879 487 2HH2 ARG 59 HH21 ARG 59 20.618 7.659 -1.056 488 H ASN 60 HN ASN 60 15.007 2.956 3.574 489 HA ASN 60 HA ASN 60 13.670 5.193 4.890 490 1HB ASN 60 HB2 ASN 60 13.027 3.608 6.631 491 2HB ASN 60 HB3 ASN 60 12.607 2.991 5.044 492 1HD2 ASN 60 HD22 ASN 60 13.898 0.095 6.732 493 2HD2 ASN 60 HD21 ASN 60 12.494 1.103 6.698 494 H ALA 61 HN ALA 61 14.560 4.082 7.585 495 HA ALA 61 HA ALA 61 16.695 5.940 7.983 496 1HB ALA 61 HB1 ALA 61 14.948 5.420 9.676 497 2HB ALA 61 HB2 ALA 61 15.715 3.849 9.920 498 3HB ALA 61 HB3 ALA 61 16.596 5.330 10.293 499 H LYS 62 HN LYS 62 16.557 2.439 7.569 500 HA LYS 62 HA LYS 62 19.489 2.340 7.867 501 1HB LYS 62 HB2 LYS 62 17.484 0.136 8.370 502 2HB LYS 62 HB3 LYS 62 19.234 -0.049 8.444 503 1HG LYS 62 HG2 LYS 62 19.112 1.879 10.177 504 2HG LYS 62 HG3 LYS 62 17.405 1.453 10.287 505 1HD LYS 62 HD2 LYS 62 19.707 -0.459 10.722 506 2HD LYS 62 HD3 LYS 62 18.807 0.346 12.005 507 1HE LYS 62 HE2 LYS 62 17.851 -1.753 10.083 508 2HE LYS 62 HE3 LYS 62 17.890 -1.815 11.838 509 1HZ LYS 62 HZ3 LYS 62 16.115 -0.059 10.209 510 2HZ LYS 62 HZ2 LYS 62 15.642 -1.481 11.014 511 3HZ LYS 62 HZ1 LYS 62 16.151 -0.125 11.910 512 H MET 63 HN MET 63 18.800 3.195 5.539 513 HA MET 63 HA MET 63 18.750 2.912 3.295 514 1HB MET 63 HB2 MET 63 20.664 1.509 2.473 515 2HB MET 63 HB3 MET 63 21.075 2.742 3.657 516 1HG MET 63 HG2 MET 63 21.329 1.109 5.373 517 2HG MET 63 HG3 MET 63 20.644 -0.157 4.356 518 1HE MET 63 HE3 MET 63 21.440 -0.815 2.259 519 2HE MET 63 HE1 MET 63 22.957 -0.359 1.482 520 3HE MET 63 HE2 MET 63 22.908 -1.738 2.582 521 H GLU 64 HN GLU 64 16.708 1.100 4.436 522 HA GLU 64 HA GLU 64 16.888 -1.204 2.655 523 1HB GLU 64 HB2 GLU 64 14.770 -0.385 4.656 524 2HB GLU 64 HB3 GLU 64 14.668 -1.824 3.660 525 1HG GLU 64 HG2 GLU 64 17.158 -1.557 5.199 526 2HG GLU 64 HG3 GLU 64 15.699 -1.730 6.164 527 H MET 65 HN MET 65 16.067 -1.211 0.661 528 HA MET 65 HA MET 65 14.668 1.074 -0.395 529 1HB MET 65 HB2 MET 65 15.388 -1.601 -1.623 530 2HB MET 65 HB3 MET 65 14.626 -0.288 -2.508 531 1HG MET 65 HG2 MET 65 16.784 0.978 -1.416 532 2HG MET 65 HG3 MET 65 17.420 -0.643 -1.686 533 1HE MET 65 HE2 MET 65 15.182 1.964 -3.067 534 2HE MET 65 HE3 MET 65 15.947 2.464 -4.576 535 3HE MET 65 HE1 MET 65 14.781 1.141 -4.576 536 H VAL 66 HN VAL 66 12.763 1.057 0.925 537 HA VAL 66 HA VAL 66 10.882 -1.148 0.433 538 HB VAL 66 HB VAL 66 9.588 -0.236 2.361 539 1HG1 VAL 66 HG13 VAL 66 11.506 -1.991 2.465 540 2HG1 VAL 66 HG11 VAL 66 12.403 -0.711 3.280 541 3HG1 VAL 66 HG12 VAL 66 10.889 -1.297 3.963 542 1HG2 VAL 66 HG21 VAL 66 11.950 1.643 2.577 543 2HG2 VAL 66 HG22 VAL 66 10.255 2.077 2.356 544 3HG2 VAL 66 HG23 VAL 66 10.796 1.360 3.872 545 H TYR 67 HN TYR 67 8.577 -0.526 0.319 546 HA TYR 67 HA TYR 67 8.142 1.426 -1.767 547 1HB TYR 67 HB2 TYR 67 6.535 -0.697 -0.405 548 2HB TYR 67 HB3 TYR 67 5.639 0.652 -1.082 549 HD1 TYR 67 HD1 TYR 67 7.024 1.241 -3.575 550 HD2 TYR 67 HD2 TYR 67 6.132 -2.510 -1.773 551 HE1 TYR 67 HE1 TYR 67 7.038 0.182 -5.790 552 HE2 TYR 67 HE2 TYR 67 6.128 -3.583 -3.981 553 HH TYR 67 HH TYR 67 6.973 -3.259 -6.176 554 H CYS 68 HN CYS 68 7.220 3.406 -1.533 555 HA CYS 68 HA CYS 68 5.935 4.135 0.981 556 1HB CYS 68 HB2 CYS 68 8.422 4.810 1.025 557 2HB CYS 68 HB3 CYS 68 8.005 6.002 -0.196 558 HG CYS 68 HG CYS 68 6.720 6.054 2.641 559 H LEU 69 HN LEU 69 5.086 6.479 0.732 560 HA LEU 69 HA LEU 69 3.830 6.639 -1.932 561 1HB LEU 69 HB2 LEU 69 2.514 6.011 0.260 562 2HB LEU 69 HB3 LEU 69 2.523 7.746 0.504 563 HG LEU 69 HG LEU 69 1.383 8.055 -1.656 564 1HD1 LEU 69 HD13 LEU 69 2.067 5.244 -1.959 565 2HD1 LEU 69 HD11 LEU 69 0.361 5.557 -2.268 566 3HD1 LEU 69 HD12 LEU 69 1.595 6.429 -3.173 567 1HD2 LEU 69 HD21 LEU 69 0.257 7.552 0.622 568 2HD2 LEU 69 HD22 LEU 69 -0.715 7.549 -0.848 569 3HD2 LEU 69 HD23 LEU 69 -0.183 6.025 -0.135 570 HA PRO 70 HA PRO 70 5.427 10.897 -2.007 571 1HB PRO 70 HB2 PRO 70 4.031 11.258 -4.498 572 2HB PRO 70 HB3 PRO 70 5.759 11.098 -4.229 573 1HG PRO 70 HG2 PRO 70 4.246 9.241 -5.536 574 2HG PRO 70 HG3 PRO 70 5.748 8.867 -4.677 575 1HD PRO 70 HD2 PRO 70 2.920 8.505 -3.771 576 2HD PRO 70 HD3 PRO 70 4.314 7.417 -3.603 577 H ALA 71 HN ALA 71 3.777 12.805 -3.372 578 HA ALA 71 HA ALA 71 1.940 13.559 -1.355 579 1HB ALA 71 HB1 ALA 71 2.995 15.120 -2.987 580 2HB ALA 71 HB2 ALA 71 1.916 14.487 -4.228 581 3HB ALA 71 HB3 ALA 71 1.253 15.328 -2.825 582 H GLU 72 HN GLU 72 -0.384 13.649 -1.435 583 HA GLU 72 HA GLU 72 -1.661 11.262 -2.142 584 1HB GLU 72 HB2 GLU 72 -3.729 13.120 -1.983 585 2HB GLU 72 HB3 GLU 72 -3.068 12.184 -0.654 586 1HG GLU 72 HG2 GLU 72 -1.883 14.831 -1.427 587 2HG GLU 72 HG3 GLU 72 -3.299 14.732 -0.390 588 H LEU 73 HN LEU 73 -1.825 10.540 -4.167 589 HA LEU 73 HA LEU 73 -2.184 12.411 -6.368 590 1HB LEU 73 HB2 LEU 73 -0.417 10.512 -6.196 591 2HB LEU 73 HB3 LEU 73 -1.729 9.460 -6.688 592 HG LEU 73 HG LEU 73 -2.014 10.841 -8.744 593 1HD1 LEU 73 HD12 LEU 73 0.060 12.450 -7.398 594 2HD1 LEU 73 HD13 LEU 73 0.293 12.186 -9.125 595 3HD1 LEU 73 HD11 LEU 73 -1.193 12.932 -8.540 596 1HD2 LEU 73 HD23 LEU 73 -0.655 8.782 -8.725 597 2HD2 LEU 73 HD21 LEU 73 -0.096 9.968 -9.903 598 3HD2 LEU 73 HD22 LEU 73 0.775 9.758 -8.386 599 H GLY 74 HN GLY 74 -4.342 12.921 -6.262 600 1HA GLY 74 HA1 GLY 74 -6.325 10.786 -6.790 601 2HA GLY 74 HA2 GLY 74 -6.701 12.454 -6.361 602 H VAL 75 HN VAL 75 -5.019 13.820 -7.951 603 HA VAL 75 HA VAL 75 -5.200 12.991 -10.723 604 HB VAL 75 HB VAL 75 -6.019 15.433 -11.270 605 1HG1 VAL 75 HG22 VAL 75 -7.171 13.296 -11.838 606 2HG1 VAL 75 HG23 VAL 75 -8.044 13.416 -10.310 607 3HG1 VAL 75 HG21 VAL 75 -8.259 14.652 -11.549 608 1HG2 VAL 75 HG11 VAL 75 -6.050 16.029 -8.790 609 2HG2 VAL 75 HG12 VAL 75 -7.466 16.472 -9.739 610 3HG2 VAL 75 HG13 VAL 75 -7.517 15.058 -8.688 611 HA PRO 76 HA PRO 76 -1.129 14.728 -11.060 612 1HB PRO 76 HB2 PRO 76 -2.283 16.539 -13.167 613 2HB PRO 76 HB3 PRO 76 -0.775 15.613 -13.186 614 1HG PRO 76 HG2 PRO 76 -2.892 14.689 -14.472 615 2HG PRO 76 HG3 PRO 76 -1.892 13.579 -13.517 616 1HD PRO 76 HD2 PRO 76 -4.587 14.707 -12.904 617 2HD PRO 76 HD3 PRO 76 -3.909 13.118 -12.500 618 H THR 77 HN THR 77 -0.854 15.786 -9.134 619 HA THR 77 HA THR 77 -1.715 18.598 -8.924 620 HB THR 77 HB THR 77 -2.589 17.111 -7.183 621 HG1 THR 77 HG1 THR 77 -1.218 18.186 -5.350 622 1HG2 THR 77 HG22 THR 77 0.263 16.489 -6.411 623 2HG2 THR 77 HG21 THR 77 -1.186 16.038 -5.509 624 3HG2 THR 77 HG23 THR 77 -0.896 15.355 -7.109 625 H THR 78 HN THR 78 -0.288 20.176 -8.278 626 HA THR 78 HA THR 78 2.571 19.521 -8.094 627 HB THR 78 HB THR 78 2.875 21.735 -9.493 628 HG1 THR 78 HG1 THR 78 0.297 21.600 -9.576 629 1HG2 THR 78 HG21 THR 78 2.097 19.147 -10.812 630 2HG2 THR 78 HG23 THR 78 2.886 20.504 -11.616 631 3HG2 THR 78 HG22 THR 78 3.714 19.646 -10.319 No H/Q in entry = 631 Start of MODEL 9 1 1H MET 1 HT3 MET 1 -21.940 10.926 -2.457 2 2H MET 1 HT2 MET 1 -21.174 12.245 -1.661 3 3H MET 1 HT1 MET 1 -20.878 11.957 -3.332 4 HA MET 1 HA MET 1 -19.326 10.519 -2.942 5 1HB MET 1 HB2 MET 1 -19.754 11.845 -0.285 6 2HB MET 1 HB3 MET 1 -18.556 10.566 -0.406 7 1HG MET 1 HG2 MET 1 -18.545 12.914 -2.275 8 2HG MET 1 HG3 MET 1 -17.765 12.967 -0.695 9 1HE MET 1 HE2 MET 1 -17.845 11.838 -4.206 10 2HE MET 1 HE3 MET 1 -16.400 12.843 -4.145 11 3HE MET 1 HE1 MET 1 -16.263 11.125 -4.507 12 H ARG 2 HN ARG 2 -22.043 10.020 -0.755 13 HA ARG 2 HA ARG 2 -23.128 8.165 -0.040 14 1HB ARG 2 HB2 ARG 2 -21.271 6.536 -1.794 15 2HB ARG 2 HB3 ARG 2 -22.763 5.985 -1.056 16 1HG ARG 2 HG2 ARG 2 -23.306 8.314 -2.623 17 2HG ARG 2 HG3 ARG 2 -22.404 7.153 -3.594 18 1HD ARG 2 HD2 ARG 2 -24.107 5.423 -2.668 19 2HD ARG 2 HD3 ARG 2 -25.066 6.836 -2.239 20 HE ARG 2 HE ARG 2 -25.611 7.118 -4.437 21 1HH1 ARG 2 HH12 ARG 2 -22.894 4.913 -4.226 22 2HH1 ARG 2 HH11 ARG 2 -22.929 4.504 -5.918 23 1HH2 ARG 2 HH22 ARG 2 -25.664 6.585 -6.647 24 2HH2 ARG 2 HH21 ARG 2 -24.509 5.453 -7.298 25 H SER 3 HN SER 3 -22.737 7.954 2.082 26 HA SER 3 HA SER 3 -20.125 7.275 3.114 27 1HB SER 3 HB2 SER 3 -22.797 7.522 4.529 28 2HB SER 3 HB3 SER 3 -21.231 7.350 5.328 29 HG SER 3 HG SER 3 -20.892 9.405 5.047 30 H SER 4 HN SER 4 -19.365 5.320 3.652 31 HA SER 4 HA SER 4 -19.193 3.087 4.013 32 1HB SER 4 HB2 SER 4 -22.216 2.980 4.234 33 2HB SER 4 HB3 SER 4 -21.078 1.734 4.731 34 HG SER 4 HG SER 4 -20.397 2.953 6.398 35 H ALA 5 HN ALA 5 -19.001 3.985 1.476 36 HA ALA 5 HA ALA 5 -20.641 2.493 -0.362 37 1HB ALA 5 HB2 ALA 5 -18.099 4.050 -0.830 38 2HB ALA 5 HB3 ALA 5 -19.121 3.367 -2.095 39 3HB ALA 5 HB1 ALA 5 -19.747 4.636 -1.043 40 H LYS 6 HN LYS 6 -18.561 1.327 1.727 41 HA LYS 6 HA LYS 6 -17.378 -0.505 2.062 42 1HB LYS 6 HB2 LYS 6 -19.019 -1.213 -0.325 43 2HB LYS 6 HB3 LYS 6 -17.896 -2.373 0.351 44 1HG LYS 6 HG2 LYS 6 -19.973 -0.999 2.014 45 2HG LYS 6 HG3 LYS 6 -20.297 -2.493 1.138 46 1HD LYS 6 HD2 LYS 6 -19.230 -3.737 2.667 47 2HD LYS 6 HD3 LYS 6 -17.839 -2.652 2.680 48 1HE LYS 6 HE2 LYS 6 -18.827 -2.719 4.895 49 2HE LYS 6 HE3 LYS 6 -19.064 -1.120 4.190 50 1HZ LYS 6 HZ1 LYS 6 -21.335 -1.841 3.555 51 2HZ LYS 6 HZ3 LYS 6 -21.073 -3.302 4.394 52 3HZ LYS 6 HZ2 LYS 6 -21.083 -1.822 5.239 53 H GLN 7 HN GLN 7 -15.469 -1.442 1.760 54 HA GLN 7 HA GLN 7 -13.419 -1.889 1.042 55 1HB GLN 7 HB2 GLN 7 -14.878 -2.543 -1.052 56 2HB GLN 7 HB3 GLN 7 -14.011 -1.203 -1.797 57 1HG GLN 7 HG2 GLN 7 -12.499 -2.797 -2.271 58 2HG GLN 7 HG3 GLN 7 -11.958 -2.435 -0.630 59 1HE2 GLN 7 HE22 GLN 7 -12.938 -5.519 0.723 60 2HE2 GLN 7 HE21 GLN 7 -12.477 -3.885 1.046 61 H GLU 8 HN GLU 8 -14.383 1.101 1.338 62 HA GLU 8 HA GLU 8 -12.225 2.501 -0.038 63 1HB GLU 8 HB2 GLU 8 -13.959 3.614 2.175 64 2HB GLU 8 HB3 GLU 8 -13.086 4.494 0.927 65 1HG GLU 8 HG2 GLU 8 -14.665 3.176 -0.691 66 2HG GLU 8 HG3 GLU 8 -15.668 3.003 0.747 67 H GLU 9 HN GLU 9 -12.452 0.554 2.616 68 HA GLU 9 HA GLU 9 -10.690 1.986 4.428 69 1HB GLU 9 HB2 GLU 9 -11.538 -0.888 4.761 70 2HB GLU 9 HB3 GLU 9 -11.120 0.286 5.994 71 1HG GLU 9 HG2 GLU 9 -13.407 0.154 6.219 72 2HG GLU 9 HG3 GLU 9 -13.224 1.556 5.167 73 H LEU 10 HN LEU 10 -10.573 -0.647 2.126 74 HA LEU 10 HA LEU 10 -7.952 -1.574 2.659 75 1HB LEU 10 HB2 LEU 10 -9.143 -3.009 1.310 76 2HB LEU 10 HB3 LEU 10 -9.835 -1.725 0.343 77 HG LEU 10 HG LEU 10 -7.591 -1.447 -0.751 78 1HD1 LEU 10 HD13 LEU 10 -6.383 -2.592 1.195 79 2HD1 LEU 10 HD11 LEU 10 -6.890 -4.109 0.451 80 3HD1 LEU 10 HD12 LEU 10 -5.858 -2.987 -0.441 81 1HD2 LEU 10 HD22 LEU 10 -9.466 -2.790 -1.707 82 2HD2 LEU 10 HD23 LEU 10 -7.860 -3.276 -2.250 83 3HD2 LEU 10 HD21 LEU 10 -8.705 -4.228 -1.027 84 H VAL 11 HN VAL 11 -9.261 1.184 0.980 85 HA VAL 11 HA VAL 11 -6.810 1.954 -0.321 86 HB VAL 11 HB VAL 11 -9.236 3.649 0.344 87 1HG1 VAL 11 HG12 VAL 11 -6.646 4.288 -0.977 88 2HG1 VAL 11 HG13 VAL 11 -8.116 4.943 -1.709 89 3HG1 VAL 11 HG11 VAL 11 -7.729 5.316 -0.030 90 1HG2 VAL 11 HG23 VAL 11 -8.476 1.952 -1.994 91 2HG2 VAL 11 HG21 VAL 11 -10.038 2.137 -1.200 92 3HG2 VAL 11 HG22 VAL 11 -9.432 3.409 -2.259 93 H LYS 12 HN LYS 12 -8.494 3.405 2.576 94 HA LYS 12 HA LYS 12 -6.394 5.089 3.321 95 1HB LYS 12 HB2 LYS 12 -8.497 3.736 4.989 96 2HB LYS 12 HB3 LYS 12 -7.255 4.730 5.736 97 1HG LYS 12 HG2 LYS 12 -8.781 6.361 5.450 98 2HG LYS 12 HG3 LYS 12 -8.066 6.438 3.837 99 1HD LYS 12 HD2 LYS 12 -10.034 4.409 3.829 100 2HD LYS 12 HD3 LYS 12 -10.755 5.827 4.583 101 1HE LYS 12 HE2 LYS 12 -9.371 5.781 1.893 102 2HE LYS 12 HE3 LYS 12 -11.116 5.759 2.147 103 1HZ LYS 12 HZ1 LYS 12 -9.559 7.935 3.368 104 2HZ LYS 12 HZ3 LYS 12 -9.855 7.983 1.688 105 3HZ LYS 12 HZ2 LYS 12 -11.159 7.930 2.778 106 H ALA 13 HN ALA 13 -6.879 1.690 4.171 107 HA ALA 13 HA ALA 13 -4.653 1.386 5.881 108 1HB ALA 13 HB2 ALA 13 -6.063 -0.658 4.159 109 2HB ALA 13 HB3 ALA 13 -4.864 -1.039 5.398 110 3HB ALA 13 HB1 ALA 13 -6.389 -0.281 5.853 111 H PHE 14 HN PHE 14 -4.981 0.861 2.368 112 HA PHE 14 HA PHE 14 -2.416 -0.098 1.838 113 1HB PHE 14 HB2 PHE 14 -4.410 -0.005 0.250 114 2HB PHE 14 HB3 PHE 14 -3.971 1.660 -0.074 115 HD1 PHE 14 HD2 PHE 14 -2.972 -1.856 -0.417 116 HD2 PHE 14 HD1 PHE 14 -2.042 2.176 -1.420 117 HE1 PHE 14 HE2 PHE 14 -1.380 -2.646 -2.103 118 HE2 PHE 14 HE1 PHE 14 -0.444 1.381 -3.119 119 HZ PHE 14 HZ PHE 14 -0.115 -1.027 -3.443 120 H LYS 15 HN LYS 15 -3.563 3.288 1.541 121 HA LYS 15 HA LYS 15 -1.143 4.472 0.876 122 1HB LYS 15 HB2 LYS 15 -3.167 5.825 2.685 123 2HB LYS 15 HB3 LYS 15 -2.120 6.568 1.484 124 1HG LYS 15 HG2 LYS 15 -4.313 4.666 0.728 125 2HG LYS 15 HG3 LYS 15 -4.606 6.378 0.960 126 1HD LYS 15 HD2 LYS 15 -2.394 6.273 -0.726 127 2HD LYS 15 HD3 LYS 15 -3.414 4.944 -1.272 128 1HE LYS 15 HE2 LYS 15 -3.842 7.105 -2.455 129 2HE LYS 15 HE3 LYS 15 -5.261 6.412 -1.666 130 1HZ LYS 15 HZ3 LYS 15 -3.841 8.213 0.056 131 2HZ LYS 15 HZ2 LYS 15 -4.345 8.965 -1.388 132 3HZ LYS 15 HZ1 LYS 15 -5.484 8.196 -0.387 133 H ALA 16 HN ALA 16 -2.472 3.835 4.100 134 HA ALA 16 HA ALA 16 -0.506 5.108 5.635 135 1HB ALA 16 HB2 ALA 16 -2.691 4.417 6.523 136 2HB ALA 16 HB3 ALA 16 -2.195 2.730 6.418 137 3HB ALA 16 HB1 ALA 16 -1.362 3.828 7.519 138 H LEU 17 HN LEU 17 -0.770 1.635 4.761 139 HA LEU 17 HA LEU 17 1.507 0.691 6.044 140 1HB LEU 17 HB2 LEU 17 0.312 -0.196 3.415 141 2HB LEU 17 HB3 LEU 17 1.551 -1.091 4.266 142 HG LEU 17 HG LEU 17 -1.241 -0.559 5.262 143 1HD1 LEU 17 HD13 LEU 17 0.110 -3.028 4.218 144 2HD1 LEU 17 HD11 LEU 17 -1.447 -3.025 5.046 145 3HD1 LEU 17 HD12 LEU 17 -1.265 -2.176 3.513 146 1HD2 LEU 17 HD21 LEU 17 0.374 -0.643 7.118 147 2HD2 LEU 17 HD22 LEU 17 -0.732 -2.013 7.117 148 3HD2 LEU 17 HD23 LEU 17 0.919 -2.217 6.541 149 H LEU 18 HN LEU 18 1.249 2.133 2.814 150 HA LEU 18 HA LEU 18 3.995 1.751 2.109 151 1HB LEU 18 HB2 LEU 18 2.063 3.821 1.057 152 2HB LEU 18 HB3 LEU 18 3.562 3.315 0.297 153 HG LEU 18 HG LEU 18 1.317 1.357 0.783 154 1HD1 LEU 18 HD13 LEU 18 1.322 3.637 -0.982 155 2HD1 LEU 18 HD11 LEU 18 1.246 2.125 -1.890 156 3HD1 LEU 18 HD12 LEU 18 0.049 2.471 -0.644 157 1HD2 LEU 18 HD23 LEU 18 3.583 1.447 -1.202 158 2HD2 LEU 18 HD21 LEU 18 3.495 0.413 0.230 159 3HD2 LEU 18 HD22 LEU 18 2.353 0.190 -1.099 160 H LYS 19 HN LYS 19 2.216 4.633 3.207 161 HA LYS 19 HA LYS 19 4.344 6.420 3.199 162 1HB LYS 19 HB2 LYS 19 1.745 6.385 4.720 163 2HB LYS 19 HB3 LYS 19 2.872 7.730 4.836 164 1HG LYS 19 HG2 LYS 19 2.736 8.049 2.397 165 2HG LYS 19 HG3 LYS 19 1.581 6.711 2.303 166 1HD LYS 19 HD2 LYS 19 0.015 8.319 2.502 167 2HD LYS 19 HD3 LYS 19 0.430 8.292 4.215 168 1HE LYS 19 HE2 LYS 19 1.590 10.140 2.131 169 2HE LYS 19 HE3 LYS 19 0.402 10.572 3.359 170 1HZ LYS 19 HZ1 LYS 19 3.182 9.655 3.899 171 2HZ LYS 19 HZ3 LYS 19 2.627 11.259 3.997 172 3HZ LYS 19 HZ2 LYS 19 2.028 10.086 5.075 173 H GLU 20 HN GLU 20 3.590 4.020 5.613 174 HA GLU 20 HA GLU 20 5.140 5.209 7.727 175 1HB GLU 20 HB2 GLU 20 4.081 2.397 7.346 176 2HB GLU 20 HB3 GLU 20 4.951 2.924 8.782 177 1HG GLU 20 HG2 GLU 20 2.436 4.255 7.814 178 2HG GLU 20 HG3 GLU 20 2.427 2.896 8.932 179 H GLU 21 HN GLU 21 5.981 3.552 4.868 180 HA GLU 21 HA GLU 21 7.911 2.762 3.988 181 1HB GLU 21 HB2 GLU 21 9.209 4.296 6.257 182 2HB GLU 21 HB3 GLU 21 10.036 3.689 4.828 183 1HG GLU 21 HG2 GLU 21 8.925 5.196 3.402 184 2HG GLU 21 HG3 GLU 21 7.720 5.592 4.621 185 H LYS 22 HN LYS 22 7.259 0.610 4.525 186 HA LYS 22 HA LYS 22 9.047 -0.713 6.445 187 1HB LYS 22 HB2 LYS 22 7.151 -0.554 7.805 188 2HB LYS 22 HB3 LYS 22 6.041 -0.741 6.460 189 1HG LYS 22 HG2 LYS 22 6.392 -3.078 6.365 190 2HG LYS 22 HG3 LYS 22 7.775 -2.989 7.457 191 1HD LYS 22 HD2 LYS 22 6.200 -2.148 9.228 192 2HD LYS 22 HD3 LYS 22 4.872 -2.490 8.115 193 1HE LYS 22 HE2 LYS 22 5.141 -4.326 9.670 194 2HE LYS 22 HE3 LYS 22 5.553 -4.846 8.037 195 1HZ LYS 22 HZ3 LYS 22 7.841 -3.856 9.423 196 2HZ LYS 22 HZ2 LYS 22 7.098 -5.115 10.287 197 3HZ LYS 22 HZ1 LYS 22 7.600 -5.370 8.681 198 H PHE 23 HN PHE 23 6.533 -1.278 3.986 199 HA PHE 23 HA PHE 23 7.514 -3.913 3.380 200 1HB PHE 23 HB2 PHE 23 5.416 -2.241 1.968 201 2HB PHE 23 HB3 PHE 23 5.670 -3.985 1.792 202 HD1 PHE 23 HD2 PHE 23 5.214 -5.498 3.698 203 HD2 PHE 23 HD1 PHE 23 4.265 -1.356 3.887 204 HE1 PHE 23 HE2 PHE 23 3.778 -5.919 5.655 205 HE2 PHE 23 HE1 PHE 23 2.846 -1.766 5.841 206 HZ PHE 23 HZ PHE 23 2.584 -4.051 6.726 207 H SER 24 HN SER 24 8.663 -4.613 1.682 208 HA SER 24 HA SER 24 9.682 -2.619 -0.252 209 1HB SER 24 HB2 SER 24 11.606 -4.306 -0.509 210 2HB SER 24 HB3 SER 24 11.543 -3.393 0.996 211 HG SER 24 HG SER 24 10.806 -5.164 2.072 212 H SER 25 HN SER 25 7.911 -5.523 0.106 213 HA SER 25 HA SER 25 7.827 -5.878 -2.823 214 1HB SER 25 HB2 SER 25 7.359 -8.386 -2.137 215 2HB SER 25 HB3 SER 25 9.012 -7.783 -2.244 216 HG SER 25 HG SER 25 8.223 -9.013 -0.250 217 H GLN 26 HN GLN 26 5.866 -6.621 -3.691 218 HA GLN 26 HA GLN 26 3.494 -5.514 -2.656 219 1HB GLN 26 HB2 GLN 26 3.465 -7.849 -4.543 220 2HB GLN 26 HB3 GLN 26 2.432 -6.452 -4.495 221 1HG GLN 26 HG2 GLN 26 4.383 -5.067 -5.222 222 2HG GLN 26 HG3 GLN 26 5.265 -6.575 -5.469 223 1HE2 GLN 26 HE22 GLN 26 3.502 -5.324 -8.596 224 2HE2 GLN 26 HE21 GLN 26 4.426 -4.496 -7.394 225 H GLY 27 HN GLY 27 4.357 -8.950 -2.947 226 1HA GLY 27 HA1 GLY 27 2.320 -10.239 -1.747 227 2HA GLY 27 HA2 GLY 27 3.973 -10.770 -1.569 228 H GLU 28 HN GLU 28 4.780 -8.464 0.121 229 HA GLU 28 HA GLU 28 3.902 -9.549 2.633 230 1HB GLU 28 HB2 GLU 28 5.815 -7.359 1.882 231 2HB GLU 28 HB3 GLU 28 5.321 -7.595 3.555 232 1HG GLU 28 HG2 GLU 28 6.063 -9.967 3.374 233 2HG GLU 28 HG3 GLU 28 6.718 -9.585 1.785 234 H ILE 29 HN ILE 29 3.222 -6.520 0.857 235 HA ILE 29 HA ILE 29 1.608 -5.446 2.990 236 HB ILE 29 HB ILE 29 2.254 -3.652 1.820 237 1HG1 ILE 29 HG12 ILE 29 -0.155 -4.262 0.114 238 2HG1 ILE 29 HG13 ILE 29 -0.229 -3.623 1.759 239 1HG2 ILE 29 HG21 ILE 29 3.485 -4.909 0.097 240 2HG2 ILE 29 HG22 ILE 29 1.991 -5.026 -0.830 241 3HG2 ILE 29 HG23 ILE 29 2.716 -3.455 -0.521 242 1HD1 ILE 29 HD12 ILE 29 1.366 -1.785 0.733 243 2HD1 ILE 29 HD13 ILE 29 0.598 -2.299 -0.769 244 3HD1 ILE 29 HD11 ILE 29 -0.384 -1.690 0.564 245 H VAL 30 HN VAL 30 1.138 -7.623 0.333 246 HA VAL 30 HA VAL 30 -1.701 -7.633 0.161 247 HB VAL 30 HB VAL 30 0.220 -9.947 -0.291 248 1HG1 VAL 30 HG11 VAL 30 -2.616 -9.581 -1.223 249 2HG1 VAL 30 HG12 VAL 30 -1.549 -10.899 -1.691 250 3HG1 VAL 30 HG13 VAL 30 -2.060 -10.733 -0.015 251 1HG2 VAL 30 HG22 VAL 30 0.351 -7.717 -1.719 252 2HG2 VAL 30 HG23 VAL 30 0.564 -9.303 -2.439 253 3HG2 VAL 30 HG21 VAL 30 -0.985 -8.485 -2.563 254 H ALA 31 HN ALA 31 0.604 -9.640 1.988 255 HA ALA 31 HA ALA 31 -1.297 -11.093 3.491 256 1HB ALA 31 HB1 ALA 31 1.637 -10.559 3.918 257 2HB ALA 31 HB2 ALA 31 0.685 -11.592 4.979 258 3HB ALA 31 HB3 ALA 31 0.871 -12.014 3.280 259 H ALA 32 HN ALA 32 0.404 -8.052 4.126 260 HA ALA 32 HA ALA 32 -0.233 -7.710 6.826 261 1HB ALA 32 HB3 ALA 32 1.395 -6.330 5.594 262 2HB ALA 32 HB1 ALA 32 0.065 -5.539 4.748 263 3HB ALA 32 HB2 ALA 32 0.233 -5.355 6.491 264 H LEU 33 HN LEU 33 -2.074 -6.725 3.927 265 HA LEU 33 HA LEU 33 -4.205 -5.530 5.417 266 1HB LEU 33 HB2 LEU 33 -4.149 -6.409 2.526 267 2HB LEU 33 HB3 LEU 33 -5.398 -5.414 3.266 268 HG LEU 33 HG LEU 33 -2.546 -4.490 3.353 269 1HD1 LEU 33 HD13 LEU 33 -2.980 -5.102 1.009 270 2HD1 LEU 33 HD11 LEU 33 -4.384 -4.035 1.014 271 3HD1 LEU 33 HD12 LEU 33 -2.768 -3.370 1.246 272 1HD2 LEU 33 HD23 LEU 33 -5.236 -3.133 3.318 273 2HD2 LEU 33 HD21 LEU 33 -4.097 -3.235 4.659 274 3HD2 LEU 33 HD22 LEU 33 -3.696 -2.278 3.235 275 H GLN 34 HN GLN 34 -3.580 -8.764 4.145 276 HA GLN 34 HA GLN 34 -6.177 -9.834 4.450 277 1HB GLN 34 HB2 GLN 34 -3.436 -11.100 4.541 278 2HB GLN 34 HB3 GLN 34 -4.894 -12.050 4.777 279 1HG GLN 34 HG2 GLN 34 -5.663 -11.604 2.587 280 2HG GLN 34 HG3 GLN 34 -4.457 -10.349 2.339 281 1HE2 GLN 34 HE22 GLN 34 -3.188 -13.178 0.479 282 2HE2 GLN 34 HE21 GLN 34 -4.445 -11.997 0.386 283 H GLU 35 HN GLU 35 -3.485 -9.485 6.730 284 HA GLU 35 HA GLU 35 -4.812 -10.748 8.934 285 1HB GLU 35 HB2 GLU 35 -2.423 -8.893 8.831 286 2HB GLU 35 HB3 GLU 35 -2.986 -9.702 10.289 287 1HG GLU 35 HG2 GLU 35 -2.710 -11.874 8.899 288 2HG GLU 35 HG3 GLU 35 -1.708 -10.874 7.851 289 H GLN 36 HN GLN 36 -4.660 -7.463 7.693 290 HA GLN 36 HA GLN 36 -5.613 -6.083 9.974 291 1HB GLN 36 HB2 GLN 36 -5.626 -5.454 7.030 292 2HB GLN 36 HB3 GLN 36 -6.363 -4.374 8.198 293 1HG GLN 36 HG2 GLN 36 -3.608 -5.223 8.810 294 2HG GLN 36 HG3 GLN 36 -3.797 -4.209 7.382 295 1HE2 GLN 36 HE22 GLN 36 -3.726 -1.371 9.343 296 2HE2 GLN 36 HE21 GLN 36 -3.207 -2.231 7.937 297 H GLY 37 HN GLY 37 -7.368 -7.146 7.037 298 1HA GLY 37 HA1 GLY 37 -9.529 -8.355 8.091 299 2HA GLY 37 HA2 GLY 37 -9.928 -6.660 8.325 300 H PHE 38 HN PHE 38 -8.172 -7.971 5.538 301 HA PHE 38 HA PHE 38 -10.495 -7.217 3.858 302 1HB PHE 38 HB2 PHE 38 -7.552 -6.929 3.224 303 2HB PHE 38 HB3 PHE 38 -8.883 -6.510 2.141 304 HD1 PHE 38 HD2 PHE 38 -10.451 -4.694 2.787 305 HD2 PHE 38 HD1 PHE 38 -6.902 -5.478 4.979 306 HE1 PHE 38 HE2 PHE 38 -10.611 -2.490 3.850 307 HE2 PHE 38 HE1 PHE 38 -7.053 -3.280 6.045 308 HZ PHE 38 HZ PHE 38 -8.899 -1.777 5.478 309 H ASP 39 HN ASP 39 -11.402 -8.796 2.784 310 HA ASP 39 HA ASP 39 -10.007 -11.318 2.380 311 1HB ASP 39 HB2 ASP 39 -12.260 -12.224 1.835 312 2HB ASP 39 HB3 ASP 39 -12.192 -11.470 3.421 313 H ASN 40 HN ASN 40 -10.979 -8.654 0.585 314 HA ASN 40 HA ASN 40 -10.781 -10.053 -1.980 315 1HB ASN 40 HB2 ASN 40 -12.282 -7.684 -1.084 316 2HB ASN 40 HB3 ASN 40 -11.461 -7.442 -2.619 317 1HD2 ASN 40 HD22 ASN 40 -14.791 -9.649 -2.437 318 2HD2 ASN 40 HD21 ASN 40 -14.149 -8.777 -1.086 319 H ILE 41 HN ILE 41 -8.445 -10.152 -1.094 320 HA ILE 41 HA ILE 41 -6.929 -8.019 -2.425 321 HB ILE 41 HB ILE 41 -6.827 -8.749 0.439 322 1HG1 ILE 41 HG12 ILE 41 -7.440 -6.500 -0.676 323 2HG1 ILE 41 HG13 ILE 41 -6.381 -6.456 0.732 324 1HG2 ILE 41 HG23 ILE 41 -4.262 -8.289 -1.072 325 2HG2 ILE 41 HG21 ILE 41 -4.435 -8.173 0.677 326 3HG2 ILE 41 HG22 ILE 41 -4.708 -9.715 -0.128 327 1HD1 ILE 41 HD11 ILE 41 -5.034 -6.646 -1.875 328 2HD1 ILE 41 HD12 ILE 41 -5.903 -5.148 -1.563 329 3HD1 ILE 41 HD13 ILE 41 -4.644 -5.681 -0.453 330 H ASN 42 HN ASN 42 -5.015 -8.618 -3.324 331 HA ASN 42 HA ASN 42 -3.789 -11.169 -3.029 332 1HB ASN 42 HB2 ASN 42 -4.184 -11.994 -5.359 333 2HB ASN 42 HB3 ASN 42 -5.642 -11.987 -4.379 334 1HD2 ASN 42 HD22 ASN 42 -7.401 -10.076 -6.682 335 2HD2 ASN 42 HD21 ASN 42 -7.399 -11.190 -5.357 336 H GLN 43 HN GLN 43 -2.124 -11.410 -5.018 337 HA GLN 43 HA GLN 43 -0.363 -9.260 -4.849 338 1HB GLN 43 HB2 GLN 43 -0.044 -11.768 -5.654 339 2HB GLN 43 HB3 GLN 43 -0.210 -11.040 -7.247 340 1HG GLN 43 HG2 GLN 43 1.616 -9.417 -6.517 341 2HG GLN 43 HG3 GLN 43 1.884 -10.500 -5.153 342 1HE2 GLN 43 HE22 GLN 43 3.552 -12.938 -7.014 343 2HE2 GLN 43 HE21 GLN 43 2.816 -12.506 -5.511 344 H SER 44 HN SER 44 -2.723 -9.991 -7.405 345 HA SER 44 HA SER 44 -1.939 -7.968 -9.204 346 1HB SER 44 HB2 SER 44 -4.798 -8.864 -9.039 347 2HB SER 44 HB3 SER 44 -3.789 -8.594 -10.451 348 HG SER 44 HG SER 44 -4.359 -10.884 -9.382 349 H LYS 45 HN LYS 45 -4.352 -8.013 -6.590 350 HA LYS 45 HA LYS 45 -5.446 -5.446 -6.949 351 1HB LYS 45 HB2 LYS 45 -5.772 -7.555 -5.140 352 2HB LYS 45 HB3 LYS 45 -5.210 -6.235 -4.130 353 1HG LYS 45 HG2 LYS 45 -7.496 -5.999 -4.029 354 2HG LYS 45 HG3 LYS 45 -7.075 -4.865 -5.310 355 1HD LYS 45 HD2 LYS 45 -7.674 -6.514 -6.999 356 2HD LYS 45 HD3 LYS 45 -7.992 -7.713 -5.741 357 1HE LYS 45 HE2 LYS 45 -9.734 -6.082 -4.842 358 2HE LYS 45 HE3 LYS 45 -9.540 -5.204 -6.361 359 1HZ LYS 45 HZ3 LYS 45 -10.151 -7.243 -7.549 360 2HZ LYS 45 HZ2 LYS 45 -10.417 -8.032 -6.062 361 3HZ LYS 45 HZ1 LYS 45 -11.394 -6.707 -6.516 362 H VAL 46 HN VAL 46 -2.634 -6.527 -5.136 363 HA VAL 46 HA VAL 46 -2.005 -4.004 -3.956 364 HB VAL 46 HB VAL 46 -0.598 -6.646 -4.118 365 1HG1 VAL 46 HG11 VAL 46 1.146 -4.879 -4.132 366 2HG1 VAL 46 HG12 VAL 46 0.445 -4.228 -2.648 367 3HG1 VAL 46 HG13 VAL 46 1.141 -5.846 -2.668 368 1HG2 VAL 46 HG22 VAL 46 -2.185 -5.095 -2.124 369 2HG2 VAL 46 HG23 VAL 46 -2.221 -6.815 -2.501 370 3HG2 VAL 46 HG21 VAL 46 -0.913 -6.151 -1.527 371 H SER 47 HN SER 47 -0.857 -5.731 -6.840 372 HA SER 47 HA SER 47 1.137 -3.785 -7.502 373 1HB SER 47 HB2 SER 47 1.005 -6.222 -8.315 374 2HB SER 47 HB3 SER 47 -0.167 -5.636 -9.495 375 HG SER 47 HG SER 47 1.853 -5.569 -10.436 376 H ARG 48 HN ARG 48 -2.291 -4.216 -8.267 377 HA ARG 48 HA ARG 48 -2.460 -2.176 -10.264 378 1HB ARG 48 HB2 ARG 48 -4.459 -3.636 -8.576 379 2HB ARG 48 HB3 ARG 48 -4.963 -2.194 -9.444 380 1HG ARG 48 HG2 ARG 48 -3.528 -3.824 -11.265 381 2HG ARG 48 HG3 ARG 48 -4.681 -4.848 -10.409 382 1HD ARG 48 HD2 ARG 48 -6.480 -3.254 -10.971 383 2HD ARG 48 HD3 ARG 48 -5.314 -2.286 -11.877 384 HE ARG 48 HE ARG 48 -5.186 -4.881 -12.889 385 1HH1 ARG 48 HH12 ARG 48 -7.541 -2.280 -12.694 386 2HH1 ARG 48 HH11 ARG 48 -8.359 -2.757 -14.152 387 1HH2 ARG 48 HH22 ARG 48 -6.253 -5.490 -14.781 388 2HH2 ARG 48 HH21 ARG 48 -7.630 -4.583 -15.345 389 H MET 49 HN MET 49 -3.126 -2.227 -6.760 390 HA MET 49 HA MET 49 -3.813 0.482 -6.482 391 1HB MET 49 HB2 MET 49 -2.807 -1.584 -4.577 392 2HB MET 49 HB3 MET 49 -3.067 0.074 -4.061 393 1HG MET 49 HG2 MET 49 -4.942 -1.984 -4.230 394 2HG MET 49 HG3 MET 49 -5.211 -0.311 -3.791 395 1HE MET 49 HE1 MET 49 -7.410 0.286 -4.528 396 2HE MET 49 HE2 MET 49 -8.190 -0.171 -6.045 397 3HE MET 49 HE3 MET 49 -7.838 -1.399 -4.831 398 H LEU 50 HN LEU 50 -0.681 -1.129 -6.529 399 HA LEU 50 HA LEU 50 0.908 1.035 -5.613 400 1HB LEU 50 HB2 LEU 50 1.419 -1.504 -7.119 401 2HB LEU 50 HB3 LEU 50 2.677 -0.275 -7.138 402 HG LEU 50 HG LEU 50 1.494 -1.222 -4.560 403 1HD1 LEU 50 HD11 LEU 50 3.501 -2.601 -6.278 404 2HD1 LEU 50 HD12 LEU 50 3.643 -2.697 -4.521 405 3HD1 LEU 50 HD13 LEU 50 2.187 -3.288 -5.324 406 1HD2 LEU 50 HD22 LEU 50 3.851 0.352 -5.382 407 2HD2 LEU 50 HD23 LEU 50 2.773 0.541 -3.996 408 3HD2 LEU 50 HD21 LEU 50 4.014 -0.709 -3.983 409 H THR 51 HN THR 51 0.112 -0.074 -8.900 410 HA THR 51 HA THR 51 1.441 2.031 -10.262 411 HB THR 51 HB THR 51 -0.927 0.502 -11.361 412 HG1 THR 51 HG1 THR 51 0.314 -1.110 -10.501 413 1HG2 THR 51 HG21 THR 51 1.615 1.490 -12.642 414 2HG2 THR 51 HG23 THR 51 0.390 0.501 -13.439 415 3HG2 THR 51 HG22 THR 51 -0.012 2.124 -12.887 416 H LYS 52 HN LYS 52 -1.870 1.601 -9.109 417 HA LYS 52 HA LYS 52 -3.029 3.877 -10.334 418 1HB LYS 52 HB2 LYS 52 -4.275 1.912 -9.447 419 2HB LYS 52 HB3 LYS 52 -3.889 2.428 -7.813 420 1HG LYS 52 HG2 LYS 52 -5.143 4.537 -9.376 421 2HG LYS 52 HG3 LYS 52 -6.136 3.082 -9.283 422 1HD LYS 52 HD2 LYS 52 -5.517 3.202 -6.727 423 2HD LYS 52 HD3 LYS 52 -5.234 4.904 -7.099 424 1HE LYS 52 HE2 LYS 52 -7.781 3.327 -7.390 425 2HE LYS 52 HE3 LYS 52 -7.484 4.729 -6.367 426 1HZ LYS 52 HZ2 LYS 52 -7.400 4.844 -9.337 427 2HZ LYS 52 HZ1 LYS 52 -8.790 5.185 -8.423 428 3HZ LYS 52 HZ3 LYS 52 -7.398 6.150 -8.238 429 H PHE 53 HN PHE 53 -2.024 3.353 -6.940 430 HA PHE 53 HA PHE 53 -2.417 6.091 -6.229 431 1HB PHE 53 HB2 PHE 53 -1.135 3.767 -4.777 432 2HB PHE 53 HB3 PHE 53 -1.283 5.366 -4.068 433 HD1 PHE 53 HD1 PHE 53 -3.952 6.242 -4.810 434 HD2 PHE 53 HD2 PHE 53 -2.594 2.360 -3.715 435 HE1 PHE 53 HE1 PHE 53 -6.219 5.660 -4.055 436 HE2 PHE 53 HE2 PHE 53 -4.847 1.776 -2.953 437 HZ PHE 53 HZ PHE 53 -6.672 3.421 -3.130 438 H GLY 54 HN GLY 54 0.325 4.283 -7.405 439 1HA GLY 54 HA1 GLY 54 2.274 5.132 -8.322 440 2HA GLY 54 HA2 GLY 54 1.789 6.740 -7.814 441 H ALA 55 HN ALA 55 2.639 3.675 -6.174 442 HA ALA 55 HA ALA 55 4.043 5.122 -4.081 443 1HB ALA 55 HB1 ALA 55 2.684 2.808 -3.992 444 2HB ALA 55 HB2 ALA 55 4.319 2.186 -4.223 445 3HB ALA 55 HB3 ALA 55 3.962 3.235 -2.854 446 H VAL 56 HN VAL 56 6.200 5.419 -3.950 447 HA VAL 56 HA VAL 56 7.896 4.399 -6.143 448 HB VAL 56 HB VAL 56 9.377 6.269 -5.738 449 1HG1 VAL 56 HG11 VAL 56 7.232 6.515 -7.096 450 2HG1 VAL 56 HG12 VAL 56 6.599 7.421 -5.720 451 3HG1 VAL 56 HG13 VAL 56 8.027 8.001 -6.574 452 1HG2 VAL 56 HG21 VAL 56 7.701 6.668 -3.296 453 2HG2 VAL 56 HG22 VAL 56 9.450 6.772 -3.493 454 3HG2 VAL 56 HG23 VAL 56 8.416 8.077 -4.076 455 H ARG 57 HN ARG 57 9.864 3.397 -5.698 456 HA ARG 57 HA ARG 57 10.115 2.280 -3.003 457 1HB ARG 57 HB2 ARG 57 11.942 1.537 -5.265 458 2HB ARG 57 HB3 ARG 57 11.398 0.569 -3.902 459 1HG ARG 57 HG2 ARG 57 9.049 0.906 -5.100 460 2HG ARG 57 HG3 ARG 57 10.085 1.093 -6.511 461 1HD ARG 57 HD2 ARG 57 9.529 -1.301 -4.842 462 2HD ARG 57 HD3 ARG 57 9.774 -1.179 -6.580 463 HE ARG 57 HE ARG 57 11.718 -1.799 -4.589 464 1HH1 ARG 57 HH12 ARG 57 11.338 -0.200 -7.696 465 2HH1 ARG 57 HH11 ARG 57 12.996 -0.453 -8.165 466 1HH2 ARG 57 HH22 ARG 57 13.875 -2.122 -5.195 467 2HH2 ARG 57 HH21 ARG 57 14.446 -1.532 -6.735 468 H THR 58 HN THR 58 11.565 3.040 -1.561 469 HA THR 58 HA THR 58 14.021 4.315 -2.500 470 HB THR 58 HB THR 58 12.330 6.138 -2.404 471 HG1 THR 58 HG1 THR 58 14.680 6.349 -1.758 472 1HG2 THR 58 HG23 THR 58 11.047 5.187 -0.446 473 2HG2 THR 58 HG22 THR 58 12.319 5.847 0.579 474 3HG2 THR 58 HG21 THR 58 11.355 6.921 -0.431 475 H ARG 59 HN ARG 59 15.574 4.729 -0.780 476 HA ARG 59 HA ARG 59 15.667 2.574 1.101 477 1HB ARG 59 HB2 ARG 59 17.487 4.672 0.096 478 2HB ARG 59 HB3 ARG 59 17.762 4.220 1.767 479 1HG ARG 59 HG2 ARG 59 17.708 1.788 0.842 480 2HG ARG 59 HG3 ARG 59 18.025 2.571 -0.704 481 1HD ARG 59 HD2 ARG 59 19.705 3.146 1.723 482 2HD ARG 59 HD3 ARG 59 20.041 1.768 0.686 483 HE ARG 59 HE ARG 59 20.472 4.582 0.092 484 1HH1 ARG 59 HH12 ARG 59 20.168 1.342 -1.247 485 2HH1 ARG 59 HH11 ARG 59 21.029 1.751 -2.708 486 1HH2 ARG 59 HH22 ARG 59 21.578 5.090 -1.810 487 2HH2 ARG 59 HH21 ARG 59 21.823 3.876 -3.026 488 H ASN 60 HN ASN 60 14.970 2.573 3.161 489 HA ASN 60 HA ASN 60 13.913 5.017 4.320 490 1HB ASN 60 HB2 ASN 60 12.897 3.620 6.003 491 2HB ASN 60 HB3 ASN 60 12.646 2.874 4.434 492 1HD2 ASN 60 HD22 ASN 60 13.499 0.132 6.640 493 2HD2 ASN 60 HD21 ASN 60 12.195 1.232 6.349 494 H ALA 61 HN ALA 61 14.281 4.461 7.052 495 HA ALA 61 HA ALA 61 16.588 5.859 7.662 496 1HB ALA 61 HB3 ALA 61 14.858 4.051 9.331 497 2HB ALA 61 HB1 ALA 61 16.234 4.920 10.011 498 3HB ALA 61 HB2 ALA 61 14.900 5.812 9.287 499 H LYS 62 HN LYS 62 16.169 2.335 7.462 500 HA LYS 62 HA LYS 62 19.016 1.979 8.143 501 1HB LYS 62 HB2 LYS 62 16.769 -0.038 8.184 502 2HB LYS 62 HB3 LYS 62 18.461 -0.393 8.525 503 1HG LYS 62 HG2 LYS 62 18.419 1.079 10.454 504 2HG LYS 62 HG3 LYS 62 16.757 1.548 10.092 505 1HD LYS 62 HD2 LYS 62 17.618 -1.275 10.718 506 2HD LYS 62 HD3 LYS 62 16.985 -0.144 11.912 507 1HE LYS 62 HE2 LYS 62 14.983 -1.026 11.391 508 2HE LYS 62 HE3 LYS 62 15.078 0.023 9.976 509 1HZ LYS 62 HZ3 LYS 62 16.450 -2.395 9.450 510 2HZ LYS 62 HZ2 LYS 62 14.885 -2.748 10.034 511 3HZ LYS 62 HZ1 LYS 62 15.081 -1.746 8.674 512 H MET 63 HN MET 63 18.156 2.857 5.529 513 HA MET 63 HA MET 63 18.713 2.543 3.370 514 1HB MET 63 HB2 MET 63 20.486 0.238 4.136 515 2HB MET 63 HB3 MET 63 20.755 1.481 2.936 516 1HG MET 63 HG2 MET 63 21.019 1.694 5.896 517 2HG MET 63 HG3 MET 63 22.259 1.920 4.669 518 1HE MET 63 HE3 MET 63 21.885 3.469 2.762 519 2HE MET 63 HE1 MET 63 20.993 4.993 2.803 520 3HE MET 63 HE2 MET 63 22.573 4.877 3.576 521 H GLU 64 HN GLU 64 16.477 0.809 4.467 522 HA GLU 64 HA GLU 64 16.586 -1.522 2.703 523 1HB GLU 64 HB2 GLU 64 14.262 -0.640 4.425 524 2HB GLU 64 HB3 GLU 64 14.541 -2.227 3.732 525 1HG GLU 64 HG2 GLU 64 16.394 -2.614 5.223 526 2HG GLU 64 HG3 GLU 64 16.275 -0.972 5.852 527 H MET 65 HN MET 65 15.834 -1.448 0.667 528 HA MET 65 HA MET 65 14.555 0.895 -0.396 529 1HB MET 65 HB2 MET 65 15.239 -1.806 -1.569 530 2HB MET 65 HB3 MET 65 14.359 -0.591 -2.483 531 1HG MET 65 HG2 MET 65 17.051 -0.088 -1.237 532 2HG MET 65 HG3 MET 65 16.838 -0.681 -2.884 533 1HE MET 65 HE3 MET 65 15.408 0.315 -4.519 534 2HE MET 65 HE1 MET 65 14.276 1.596 -4.086 535 3HE MET 65 HE2 MET 65 15.742 1.988 -4.977 536 H VAL 66 HN VAL 66 12.572 1.189 0.585 537 HA VAL 66 HA VAL 66 10.595 -0.984 0.319 538 HB VAL 66 HB VAL 66 9.389 0.100 2.232 539 1HG1 VAL 66 HG11 VAL 66 12.187 -0.919 2.720 540 2HG1 VAL 66 HG12 VAL 66 10.951 -0.756 3.963 541 3HG1 VAL 66 HG13 VAL 66 10.711 -1.875 2.623 542 1HG2 VAL 66 HG22 VAL 66 10.465 2.331 2.023 543 2HG2 VAL 66 HG23 VAL 66 10.550 1.663 3.652 544 3HG2 VAL 66 HG21 VAL 66 11.970 1.622 2.607 545 H TYR 67 HN TYR 67 8.423 -0.433 -0.043 546 HA TYR 67 HA TYR 67 7.964 1.601 -2.019 547 1HB TYR 67 HB2 TYR 67 6.260 -0.460 -0.622 548 2HB TYR 67 HB3 TYR 67 5.493 0.822 -1.537 549 HD1 TYR 67 HD2 TYR 67 6.942 1.111 -3.957 550 HD2 TYR 67 HD1 TYR 67 6.040 -2.444 -1.787 551 HE1 TYR 67 HE2 TYR 67 7.077 -0.187 -6.038 552 HE2 TYR 67 HE1 TYR 67 6.162 -3.754 -3.863 553 HH TYR 67 HH TYR 67 7.174 -2.282 -6.916 554 H CYS 68 HN CYS 68 7.351 3.638 -1.623 555 HA CYS 68 HA CYS 68 5.873 4.281 0.823 556 1HB CYS 68 HB2 CYS 68 8.249 4.812 1.253 557 2HB CYS 68 HB3 CYS 68 8.257 5.892 -0.129 558 HG CYS 68 HG CYS 68 6.939 6.457 2.604 559 H LEU 69 HN LEU 69 4.842 6.396 0.699 560 HA LEU 69 HA LEU 69 3.895 6.906 -2.048 561 1HB LEU 69 HB2 LEU 69 2.454 6.471 0.223 562 2HB LEU 69 HB3 LEU 69 2.523 8.223 0.215 563 HG LEU 69 HG LEU 69 1.512 8.282 -2.003 564 1HD1 LEU 69 HD12 LEU 69 2.204 5.456 -1.982 565 2HD1 LEU 69 HD13 LEU 69 0.521 5.724 -2.430 566 3HD1 LEU 69 HD11 LEU 69 1.808 6.513 -3.337 567 1HD2 LEU 69 HD21 LEU 69 0.077 8.250 -0.006 568 2HD2 LEU 69 HD22 LEU 69 -0.698 7.526 -1.414 569 3HD2 LEU 69 HD23 LEU 69 -0.044 6.494 -0.142 570 HA PRO 70 HA PRO 70 6.217 10.706 -1.982 571 1HB PRO 70 HB2 PRO 70 5.093 11.956 -4.101 572 2HB PRO 70 HB3 PRO 70 6.230 10.613 -4.269 573 1HG PRO 70 HG2 PRO 70 3.240 10.577 -4.429 574 2HG PRO 70 HG3 PRO 70 4.428 9.752 -5.457 575 1HD PRO 70 HD2 PRO 70 3.096 8.498 -3.450 576 2HD PRO 70 HD3 PRO 70 4.739 8.039 -3.938 577 H ALA 71 HN ALA 71 5.987 12.682 -1.112 578 HA ALA 71 HA ALA 71 3.970 13.426 0.555 579 1HB ALA 71 HB2 ALA 71 5.887 15.197 -0.949 580 2HB ALA 71 HB3 ALA 71 4.919 15.723 0.430 581 3HB ALA 71 HB1 ALA 71 6.133 14.460 0.635 582 H GLU 72 HN GLU 72 1.962 14.147 0.351 583 HA GLU 72 HA GLU 72 0.023 14.976 -0.429 584 1HB GLU 72 HB2 GLU 72 1.840 16.720 -2.092 585 2HB GLU 72 HB3 GLU 72 0.129 17.008 -1.819 586 1HG GLU 72 HG2 GLU 72 0.611 17.183 0.616 587 2HG GLU 72 HG3 GLU 72 2.327 17.043 0.241 588 H LEU 73 HN LEU 73 -0.837 13.188 -1.420 589 HA LEU 73 HA LEU 73 -0.382 12.845 -4.316 590 1HB LEU 73 HB2 LEU 73 0.044 10.871 -2.896 591 2HB LEU 73 HB3 LEU 73 -1.601 10.945 -2.298 592 HG LEU 73 HG LEU 73 -2.409 10.526 -4.631 593 1HD1 LEU 73 HD13 LEU 73 0.535 10.138 -5.160 594 2HD1 LEU 73 HD11 LEU 73 -0.751 9.579 -6.229 595 3HD1 LEU 73 HD12 LEU 73 -0.549 11.303 -5.924 596 1HD2 LEU 73 HD23 LEU 73 -2.113 8.747 -2.907 597 2HD2 LEU 73 HD21 LEU 73 -2.038 8.188 -4.577 598 3HD2 LEU 73 HD22 LEU 73 -0.554 8.379 -3.645 599 H GLY 74 HN GLY 74 -1.772 14.414 -5.133 600 1HA GLY 74 HA1 GLY 74 -4.317 13.825 -5.799 601 2HA GLY 74 HA2 GLY 74 -4.529 14.561 -4.219 602 H VAL 75 HN VAL 75 -3.499 15.118 -7.532 603 HA VAL 75 HA VAL 75 -3.116 17.954 -7.178 604 HB VAL 75 HB VAL 75 -3.145 17.911 -9.773 605 1HG1 VAL 75 HG23 VAL 75 -1.047 16.376 -8.241 606 2HG1 VAL 75 HG21 VAL 75 -0.843 17.068 -9.850 607 3HG1 VAL 75 HG22 VAL 75 -1.108 18.125 -8.461 608 1HG2 VAL 75 HG13 VAL 75 -4.275 15.590 -9.744 609 2HG2 VAL 75 HG11 VAL 75 -2.972 15.870 -10.893 610 3HG2 VAL 75 HG12 VAL 75 -2.659 14.968 -9.414 611 HA PRO 76 HA PRO 76 -7.258 19.450 -7.736 612 1HB PRO 76 HB2 PRO 76 -6.314 21.331 -9.830 613 2HB PRO 76 HB3 PRO 76 -7.095 21.666 -8.283 614 1HG PRO 76 HG2 PRO 76 -4.496 22.147 -8.646 615 2HG PRO 76 HG3 PRO 76 -5.106 21.530 -7.102 616 1HD PRO 76 HD2 PRO 76 -3.715 20.062 -9.316 617 2HD PRO 76 HD3 PRO 76 -3.498 19.921 -7.560 618 H THR 77 HN THR 77 -8.657 18.098 -8.708 619 HA THR 77 HA THR 77 -8.898 18.145 -11.625 620 HB THR 77 HB THR 77 -7.344 16.251 -11.065 621 HG1 THR 77 HG1 THR 77 -8.192 15.076 -12.589 622 1HG2 THR 77 HG21 THR 77 -8.275 15.594 -8.871 623 2HG2 THR 77 HG23 THR 77 -9.694 14.942 -9.695 624 3HG2 THR 77 HG22 THR 77 -8.103 14.244 -9.990 625 H THR 78 HN THR 78 -10.836 16.379 -12.079 626 HA THR 78 HA THR 78 -13.096 17.439 -10.540 627 HB THR 78 HB THR 78 -14.380 16.209 -12.469 628 HG1 THR 78 HG1 THR 78 -12.486 15.131 -13.259 629 1HG2 THR 78 HG23 THR 78 -14.270 18.637 -12.279 630 2HG2 THR 78 HG22 THR 78 -12.709 18.630 -13.098 631 3HG2 THR 78 HG21 THR 78 -14.158 18.104 -13.953 No H/Q in entry = 631 Start of MODEL 10 1 1H MET 1 HT2 MET 1 -20.190 12.366 0.629 2 2H MET 1 HT1 MET 1 -20.790 12.946 -0.879 3 3H MET 1 HT3 MET 1 -21.204 13.757 0.585 4 HA MET 1 HA MET 1 -22.736 12.293 1.150 5 1HB MET 1 HB2 MET 1 -22.508 11.735 -1.823 6 2HB MET 1 HB3 MET 1 -23.948 11.513 -0.841 7 1HG MET 1 HG2 MET 1 -23.440 14.119 -0.359 8 2HG MET 1 HG3 MET 1 -22.795 13.965 -1.992 9 1HE MET 1 HE1 MET 1 -25.640 12.890 0.261 10 2HE MET 1 HE2 MET 1 -26.235 14.526 -0.015 11 3HE MET 1 HE3 MET 1 -27.108 13.143 -0.681 12 H ARG 2 HN ARG 2 -23.478 9.826 -0.267 13 HA ARG 2 HA ARG 2 -21.291 7.986 -0.027 14 1HB ARG 2 HB2 ARG 2 -22.181 8.543 2.391 15 2HB ARG 2 HB3 ARG 2 -23.489 7.455 1.956 16 1HG ARG 2 HG2 ARG 2 -20.892 6.320 1.334 17 2HG ARG 2 HG3 ARG 2 -21.017 6.780 3.033 18 1HD ARG 2 HD2 ARG 2 -22.933 5.004 1.513 19 2HD ARG 2 HD3 ARG 2 -21.724 4.464 2.677 20 HE ARG 2 HE ARG 2 -24.292 5.728 3.232 21 1HH1 ARG 2 HH12 ARG 2 -21.155 4.798 4.525 22 2HH1 ARG 2 HH11 ARG 2 -21.695 4.819 6.183 23 1HH2 ARG 2 HH22 ARG 2 -24.987 5.773 5.403 24 2HH2 ARG 2 HH21 ARG 2 -23.872 5.372 6.683 25 H SER 3 HN SER 3 -21.624 6.502 -1.513 26 HA SER 3 HA SER 3 -24.381 5.647 -2.181 27 1HB SER 3 HB2 SER 3 -23.235 4.985 -4.439 28 2HB SER 3 HB3 SER 3 -23.669 6.671 -4.159 29 HG SER 3 HG SER 3 -21.616 7.218 -4.025 30 H SER 4 HN SER 4 -21.012 4.567 -2.510 31 HA SER 4 HA SER 4 -21.548 2.126 -1.025 32 1HB SER 4 HB2 SER 4 -20.261 1.823 -3.743 33 2HB SER 4 HB3 SER 4 -20.929 0.573 -2.698 34 HG SER 4 HG SER 4 -22.121 1.912 -4.675 35 H ALA 5 HN ALA 5 -20.128 3.101 0.455 36 HA ALA 5 HA ALA 5 -17.305 3.343 -0.405 37 1HB ALA 5 HB2 ALA 5 -18.841 4.984 1.600 38 2HB ALA 5 HB3 ALA 5 -17.083 5.013 1.462 39 3HB ALA 5 HB1 ALA 5 -18.082 5.524 0.105 40 H LYS 6 HN LYS 6 -17.880 0.881 0.228 41 HA LYS 6 HA LYS 6 -17.232 0.461 3.059 42 1HB LYS 6 HB2 LYS 6 -18.661 -1.124 1.004 43 2HB LYS 6 HB3 LYS 6 -17.671 -2.043 2.128 44 1HG LYS 6 HG2 LYS 6 -19.581 -0.004 3.171 45 2HG LYS 6 HG3 LYS 6 -20.169 -1.584 2.659 46 1HD LYS 6 HD2 LYS 6 -19.241 -2.646 4.427 47 2HD LYS 6 HD3 LYS 6 -17.788 -1.644 4.394 48 1HE LYS 6 HE2 LYS 6 -18.952 0.152 5.524 49 2HE LYS 6 HE3 LYS 6 -20.468 -0.745 5.447 50 1HZ LYS 6 HZ3 LYS 6 -18.698 -2.454 6.673 51 2HZ LYS 6 HZ2 LYS 6 -18.368 -0.932 7.368 52 3HZ LYS 6 HZ1 LYS 6 -19.945 -1.568 7.422 53 H GLN 7 HN GLN 7 -15.733 0.694 0.124 54 HA GLN 7 HA GLN 7 -13.544 -1.120 0.895 55 1HB GLN 7 HB2 GLN 7 -14.759 -1.274 -1.409 56 2HB GLN 7 HB3 GLN 7 -13.737 0.090 -1.840 57 1HG GLN 7 HG2 GLN 7 -12.363 -1.589 -2.492 58 2HG GLN 7 HG3 GLN 7 -11.867 -1.463 -0.808 59 1HE2 GLN 7 HE22 GLN 7 -12.914 -4.663 0.071 60 2HE2 GLN 7 HE21 GLN 7 -12.207 -3.163 0.562 61 H GLU 8 HN GLU 8 -14.312 2.081 1.171 62 HA GLU 8 HA GLU 8 -11.844 3.332 0.434 63 1HB GLU 8 HB2 GLU 8 -13.898 4.244 2.472 64 2HB GLU 8 HB3 GLU 8 -12.621 5.231 1.771 65 1HG GLU 8 HG2 GLU 8 -13.711 4.684 -0.491 66 2HG GLU 8 HG3 GLU 8 -15.102 4.174 0.463 67 H GLU 9 HN GLU 9 -12.477 1.037 2.685 68 HA GLU 9 HA GLU 9 -10.813 1.963 4.888 69 1HB GLU 9 HB2 GLU 9 -12.043 -0.760 4.358 70 2HB GLU 9 HB3 GLU 9 -11.294 -0.247 5.865 71 1HG GLU 9 HG2 GLU 9 -13.045 1.227 6.370 72 2HG GLU 9 HG3 GLU 9 -13.671 1.189 4.724 73 H LEU 10 HN LEU 10 -10.732 -0.381 2.255 74 HA LEU 10 HA LEU 10 -8.115 -1.390 2.788 75 1HB LEU 10 HB2 LEU 10 -9.695 -2.707 1.548 76 2HB LEU 10 HB3 LEU 10 -9.875 -1.455 0.336 77 HG LEU 10 HG LEU 10 -7.598 -1.863 -0.454 78 1HD1 LEU 10 HD11 LEU 10 -7.488 -3.597 1.953 79 2HD1 LEU 10 HD12 LEU 10 -6.635 -4.144 0.508 80 3HD1 LEU 10 HD13 LEU 10 -6.243 -2.583 1.222 81 1HD2 LEU 10 HD22 LEU 10 -9.705 -3.279 -1.096 82 2HD2 LEU 10 HD23 LEU 10 -8.105 -3.720 -1.689 83 3HD2 LEU 10 HD21 LEU 10 -8.808 -4.583 -0.316 84 H VAL 11 HN VAL 11 -9.377 1.409 1.158 85 HA VAL 11 HA VAL 11 -6.987 1.992 -0.351 86 HB VAL 11 HB VAL 11 -9.437 3.660 0.283 87 1HG1 VAL 11 HG13 VAL 11 -6.865 4.461 -0.957 88 2HG1 VAL 11 HG11 VAL 11 -8.350 5.065 -1.693 89 3HG1 VAL 11 HG12 VAL 11 -8.004 5.405 0.002 90 1HG2 VAL 11 HG21 VAL 11 -8.445 2.180 -2.138 91 2HG2 VAL 11 HG22 VAL 11 -9.982 2.003 -1.289 92 3HG2 VAL 11 HG23 VAL 11 -9.663 3.448 -2.253 93 H LYS 12 HN LYS 12 -8.512 3.648 2.471 94 HA LYS 12 HA LYS 12 -6.390 5.343 3.071 95 1HB LYS 12 HB2 LYS 12 -7.324 5.422 5.348 96 2HB LYS 12 HB3 LYS 12 -8.520 5.648 4.093 97 1HG LYS 12 HG2 LYS 12 -9.680 4.256 5.435 98 2HG LYS 12 HG3 LYS 12 -8.851 3.057 4.447 99 1HD LYS 12 HD2 LYS 12 -8.276 2.209 6.462 100 2HD LYS 12 HD3 LYS 12 -7.003 3.420 6.329 101 1HE LYS 12 HE2 LYS 12 -9.606 4.201 7.564 102 2HE LYS 12 HE3 LYS 12 -8.478 3.233 8.507 103 1HZ LYS 12 HZ1 LYS 12 -6.878 5.169 7.512 104 2HZ LYS 12 HZ3 LYS 12 -8.333 6.020 7.751 105 3HZ LYS 12 HZ2 LYS 12 -7.597 5.201 9.054 106 H ALA 13 HN ALA 13 -6.968 2.080 4.180 107 HA ALA 13 HA ALA 13 -4.731 1.765 5.844 108 1HB ALA 13 HB2 ALA 13 -6.211 -0.312 4.230 109 2HB ALA 13 HB3 ALA 13 -5.037 -0.664 5.494 110 3HB ALA 13 HB1 ALA 13 -6.537 0.166 5.895 111 H PHE 14 HN PHE 14 -5.106 0.984 2.368 112 HA PHE 14 HA PHE 14 -2.593 -0.067 1.829 113 1HB PHE 14 HB2 PHE 14 -4.583 0.087 0.242 114 2HB PHE 14 HB3 PHE 14 -4.094 1.732 -0.107 115 HD1 PHE 14 HD2 PHE 14 -3.207 -1.826 -0.413 116 HD2 PHE 14 HD1 PHE 14 -2.205 2.161 -1.522 117 HE1 PHE 14 HE2 PHE 14 -1.689 -2.691 -2.130 118 HE2 PHE 14 HE1 PHE 14 -0.681 1.289 -3.251 119 HZ PHE 14 HZ PHE 14 -0.431 -1.132 -3.544 120 H LYS 15 HN LYS 15 -3.579 3.343 1.404 121 HA LYS 15 HA LYS 15 -1.130 4.432 0.749 122 1HB LYS 15 HB2 LYS 15 -3.119 5.891 2.505 123 2HB LYS 15 HB3 LYS 15 -2.094 6.554 1.240 124 1HG LYS 15 HG2 LYS 15 -4.192 4.577 0.497 125 2HG LYS 15 HG3 LYS 15 -4.678 6.214 0.883 126 1HD LYS 15 HD2 LYS 15 -2.407 5.990 -0.958 127 2HD LYS 15 HD3 LYS 15 -3.903 5.304 -1.562 128 1HE LYS 15 HE2 LYS 15 -3.410 7.791 -2.071 129 2HE LYS 15 HE3 LYS 15 -5.025 7.350 -1.509 130 1HZ LYS 15 HZ1 LYS 15 -4.331 8.018 0.763 131 2HZ LYS 15 HZ3 LYS 15 -2.853 8.563 0.126 132 3HZ LYS 15 HZ2 LYS 15 -4.309 9.300 -0.356 133 H ALA 16 HN ALA 16 -2.510 3.978 3.987 134 HA ALA 16 HA ALA 16 -0.466 5.214 5.471 135 1HB ALA 16 HB2 ALA 16 -2.699 4.694 6.373 136 2HB ALA 16 HB3 ALA 16 -2.287 2.981 6.369 137 3HB ALA 16 HB1 ALA 16 -1.401 4.098 7.405 138 H LEU 17 HN LEU 17 -0.941 1.748 4.679 139 HA LEU 17 HA LEU 17 1.230 0.651 6.026 140 1HB LEU 17 HB2 LEU 17 -0.027 -0.154 3.403 141 2HB LEU 17 HB3 LEU 17 1.186 -1.117 4.216 142 HG LEU 17 HG LEU 17 -1.640 -0.600 5.021 143 1HD1 LEU 17 HD11 LEU 17 -1.149 -2.555 3.661 144 2HD1 LEU 17 HD12 LEU 17 0.052 -3.078 4.842 145 3HD1 LEU 17 HD13 LEU 17 -1.655 -3.029 5.285 146 1HD2 LEU 17 HD22 LEU 17 0.623 -1.370 6.837 147 2HD2 LEU 17 HD23 LEU 17 -0.580 -0.101 7.070 148 3HD2 LEU 17 HD21 LEU 17 -1.050 -1.794 7.183 149 H LEU 18 HN LEU 18 1.139 2.021 2.755 150 HA LEU 18 HA LEU 18 3.888 1.494 2.155 151 1HB LEU 18 HB2 LEU 18 2.134 3.656 0.998 152 2HB LEU 18 HB3 LEU 18 3.616 3.036 0.302 153 HG LEU 18 HG LEU 18 1.220 1.257 0.714 154 1HD1 LEU 18 HD12 LEU 18 0.853 3.434 -0.673 155 2HD1 LEU 18 HD13 LEU 18 1.805 2.585 -1.891 156 3HD1 LEU 18 HD11 LEU 18 0.306 1.881 -1.296 157 1HD2 LEU 18 HD21 LEU 18 3.436 0.220 0.272 158 2HD2 LEU 18 HD22 LEU 18 2.237 -0.086 -0.985 159 3HD2 LEU 18 HD23 LEU 18 3.494 1.118 -1.250 160 H LYS 19 HN LYS 19 2.200 4.467 3.157 161 HA LYS 19 HA LYS 19 4.415 6.142 3.230 162 1HB LYS 19 HB2 LYS 19 1.753 6.237 4.610 163 2HB LYS 19 HB3 LYS 19 2.948 7.504 4.851 164 1HG LYS 19 HG2 LYS 19 3.005 7.838 2.380 165 2HG LYS 19 HG3 LYS 19 1.685 6.668 2.238 166 1HD LYS 19 HD2 LYS 19 0.171 8.216 2.773 167 2HD LYS 19 HD3 LYS 19 1.070 8.689 4.215 168 1HE LYS 19 HE2 LYS 19 1.664 9.648 1.410 169 2HE LYS 19 HE3 LYS 19 0.730 10.547 2.602 170 1HZ LYS 19 HZ2 LYS 19 3.383 9.652 3.443 171 2HZ LYS 19 HZ1 LYS 19 3.342 10.867 2.259 172 3HZ LYS 19 HZ3 LYS 19 2.571 11.118 3.755 173 H GLU 20 HN GLU 20 3.619 3.657 5.484 174 HA GLU 20 HA GLU 20 5.025 4.762 7.749 175 1HB GLU 20 HB2 GLU 20 3.838 2.081 7.093 176 2HB GLU 20 HB3 GLU 20 4.924 2.239 8.466 177 1HG GLU 20 HG2 GLU 20 3.392 4.124 9.249 178 2HG GLU 20 HG3 GLU 20 2.253 3.531 8.046 179 H GLU 21 HN GLU 21 6.014 3.234 4.843 180 HA GLU 21 HA GLU 21 7.997 2.502 4.015 181 1HB GLU 21 HB2 GLU 21 9.301 3.842 6.397 182 2HB GLU 21 HB3 GLU 21 10.039 3.473 4.845 183 1HG GLU 21 HG2 GLU 21 8.419 5.051 3.783 184 2HG GLU 21 HG3 GLU 21 7.888 5.511 5.399 185 H LYS 22 HN LYS 22 7.111 0.358 4.679 186 HA LYS 22 HA LYS 22 8.960 -1.019 6.519 187 1HB LYS 22 HB2 LYS 22 6.984 -0.623 7.813 188 2HB LYS 22 HB3 LYS 22 5.938 -1.141 6.503 189 1HG LYS 22 HG2 LYS 22 6.203 -3.343 6.964 190 2HG LYS 22 HG3 LYS 22 7.861 -3.140 7.529 191 1HD LYS 22 HD2 LYS 22 7.059 -2.179 9.614 192 2HD LYS 22 HD3 LYS 22 5.392 -2.300 9.046 193 1HE LYS 22 HE2 LYS 22 6.104 -4.122 10.619 194 2HE LYS 22 HE3 LYS 22 5.460 -4.678 9.075 195 1HZ LYS 22 HZ2 LYS 22 8.372 -4.342 9.484 196 2HZ LYS 22 HZ1 LYS 22 7.573 -5.773 9.956 197 3HZ LYS 22 HZ3 LYS 22 7.555 -5.286 8.324 198 H PHE 23 HN PHE 23 6.432 -1.500 4.072 199 HA PHE 23 HA PHE 23 7.308 -4.185 3.491 200 1HB PHE 23 HB2 PHE 23 5.262 -2.500 2.031 201 2HB PHE 23 HB3 PHE 23 5.410 -4.263 2.002 202 HD1 PHE 23 HD1 PHE 23 5.109 -5.526 4.164 203 HD2 PHE 23 HD2 PHE 23 3.999 -1.442 3.740 204 HE1 PHE 23 HE1 PHE 23 3.703 -5.708 6.170 205 HE2 PHE 23 HE2 PHE 23 2.590 -1.618 5.748 206 HZ PHE 23 HZ PHE 23 2.433 -3.753 6.962 207 H SER 24 HN SER 24 8.553 -4.882 1.862 208 HA SER 24 HA SER 24 9.649 -2.888 -0.002 209 1HB SER 24 HB2 SER 24 11.387 -4.802 -0.381 210 2HB SER 24 HB3 SER 24 11.459 -3.844 1.089 211 HG SER 24 HG SER 24 10.657 -5.504 2.253 212 H SER 25 HN SER 25 7.726 -5.755 0.059 213 HA SER 25 HA SER 25 7.674 -5.752 -2.891 214 1HB SER 25 HB2 SER 25 7.111 -8.306 -2.538 215 2HB SER 25 HB3 SER 25 8.784 -7.760 -2.533 216 HG SER 25 HG SER 25 8.963 -8.269 -0.499 217 H GLN 26 HN GLN 26 5.704 -6.574 -3.829 218 HA GLN 26 HA GLN 26 3.344 -5.411 -2.800 219 1HB GLN 26 HB2 GLN 26 3.352 -7.697 -4.748 220 2HB GLN 26 HB3 GLN 26 2.257 -6.361 -4.645 221 1HG GLN 26 HG2 GLN 26 3.530 -4.988 -5.879 222 2HG GLN 26 HG3 GLN 26 5.038 -5.616 -5.233 223 1HE2 GLN 26 HE22 GLN 26 4.427 -6.492 -8.881 224 2HE2 GLN 26 HE21 GLN 26 4.162 -5.027 -7.995 225 H GLY 27 HN GLY 27 4.233 -8.844 -3.112 226 1HA GLY 27 HA1 GLY 27 2.154 -10.082 -1.810 227 2HA GLY 27 HA2 GLY 27 3.798 -10.686 -1.780 228 H GLU 28 HN GLU 28 4.799 -8.356 -0.242 229 HA GLU 28 HA GLU 28 4.363 -9.342 2.387 230 1HB GLU 28 HB2 GLU 28 6.361 -7.966 1.280 231 2HB GLU 28 HB3 GLU 28 5.478 -6.602 1.940 232 1HG GLU 28 HG2 GLU 28 5.595 -7.663 4.179 233 2HG GLU 28 HG3 GLU 28 6.546 -8.971 3.477 234 H ILE 29 HN ILE 29 3.200 -6.429 0.666 235 HA ILE 29 HA ILE 29 1.634 -5.552 2.927 236 HB ILE 29 HB ILE 29 1.982 -3.622 1.941 237 1HG1 ILE 29 HG12 ILE 29 -0.045 -4.457 -0.133 238 2HG1 ILE 29 HG13 ILE 29 -0.418 -3.808 1.465 239 1HG2 ILE 29 HG22 ILE 29 3.647 -4.576 0.436 240 2HG2 ILE 29 HG23 ILE 29 2.382 -4.906 -0.742 241 3HG2 ILE 29 HG21 ILE 29 2.764 -3.248 -0.311 242 1HD1 ILE 29 HD13 ILE 29 1.241 -1.891 0.500 243 2HD1 ILE 29 HD11 ILE 29 0.442 -2.434 -0.975 244 3HD1 ILE 29 HD12 ILE 29 -0.519 -1.854 0.384 245 H VAL 30 HN VAL 30 1.143 -7.736 0.308 246 HA VAL 30 HA VAL 30 -1.695 -7.727 0.140 247 HB VAL 30 HB VAL 30 0.280 -9.995 -0.299 248 1HG1 VAL 30 HG12 VAL 30 -2.653 -9.913 -0.971 249 2HG1 VAL 30 HG13 VAL 30 -1.526 -11.174 -1.464 250 3HG1 VAL 30 HG11 VAL 30 -1.897 -10.942 0.243 251 1HG2 VAL 30 HG21 VAL 30 0.259 -7.938 -1.846 252 2HG2 VAL 30 HG22 VAL 30 0.194 -9.536 -2.577 253 3HG2 VAL 30 HG23 VAL 30 -1.272 -8.572 -2.425 254 H ALA 31 HN ALA 31 0.539 -9.827 1.961 255 HA ALA 31 HA ALA 31 -1.418 -11.133 3.519 256 1HB ALA 31 HB1 ALA 31 1.544 -10.874 3.639 257 2HB ALA 31 HB2 ALA 31 0.703 -11.469 5.070 258 3HB ALA 31 HB3 ALA 31 0.532 -12.315 3.533 259 H ALA 32 HN ALA 32 0.477 -8.190 4.099 260 HA ALA 32 HA ALA 32 -0.108 -7.726 6.772 261 1HB ALA 32 HB2 ALA 32 1.496 -6.413 5.413 262 2HB ALA 32 HB3 ALA 32 0.132 -5.580 4.665 263 3HB ALA 32 HB1 ALA 32 0.425 -5.416 6.399 264 H LEU 33 HN LEU 33 -2.003 -6.629 3.925 265 HA LEU 33 HA LEU 33 -4.040 -5.391 5.490 266 1HB LEU 33 HB2 LEU 33 -4.215 -6.356 2.636 267 2HB LEU 33 HB3 LEU 33 -5.349 -5.271 3.432 268 HG LEU 33 HG LEU 33 -2.469 -4.467 3.302 269 1HD1 LEU 33 HD12 LEU 33 -2.959 -5.202 1.028 270 2HD1 LEU 33 HD13 LEU 33 -4.394 -4.175 1.004 271 3HD1 LEU 33 HD11 LEU 33 -2.789 -3.451 1.117 272 1HD2 LEU 33 HD21 LEU 33 -5.104 -2.996 3.254 273 2HD2 LEU 33 HD22 LEU 33 -3.943 -3.069 4.579 274 3HD2 LEU 33 HD23 LEU 33 -3.527 -2.222 3.091 275 H GLN 34 HN GLN 34 -3.713 -8.651 4.092 276 HA GLN 34 HA GLN 34 -6.309 -9.547 4.735 277 1HB GLN 34 HB2 GLN 34 -3.708 -11.001 4.303 278 2HB GLN 34 HB3 GLN 34 -5.191 -11.860 4.694 279 1HG GLN 34 HG2 GLN 34 -5.913 -10.169 2.605 280 2HG GLN 34 HG3 GLN 34 -4.308 -10.707 2.178 281 1HE2 GLN 34 HE22 GLN 34 -5.448 -13.639 0.897 282 2HE2 GLN 34 HE21 GLN 34 -4.332 -12.329 0.875 283 H GLU 35 HN GLU 35 -3.460 -9.111 6.712 284 HA GLU 35 HA GLU 35 -4.533 -10.558 8.995 285 1HB GLU 35 HB2 GLU 35 -2.088 -8.795 8.683 286 2HB GLU 35 HB3 GLU 35 -2.545 -9.572 10.193 287 1HG GLU 35 HG2 GLU 35 -2.529 -11.739 8.673 288 2HG GLU 35 HG3 GLU 35 -1.442 -10.759 7.700 289 H GLN 36 HN GLN 36 -4.411 -7.251 7.802 290 HA GLN 36 HA GLN 36 -5.138 -5.877 10.169 291 1HB GLN 36 HB2 GLN 36 -5.443 -5.201 7.245 292 2HB GLN 36 HB3 GLN 36 -5.994 -4.119 8.508 293 1HG GLN 36 HG2 GLN 36 -3.443 -4.636 9.308 294 2HG GLN 36 HG3 GLN 36 -3.281 -4.695 7.558 295 1HE2 GLN 36 HE22 GLN 36 -3.112 -1.193 9.222 296 2HE2 GLN 36 HE21 GLN 36 -2.661 -2.724 9.893 297 H GLY 37 HN GLY 37 -7.148 -6.812 7.378 298 1HA GLY 37 HA1 GLY 37 -9.279 -7.956 8.605 299 2HA GLY 37 HA2 GLY 37 -9.599 -6.237 8.803 300 H PHE 38 HN PHE 38 -8.006 -7.698 6.004 301 HA PHE 38 HA PHE 38 -10.359 -6.983 4.343 302 1HB PHE 38 HB2 PHE 38 -7.428 -6.686 3.623 303 2HB PHE 38 HB3 PHE 38 -8.795 -6.285 2.585 304 HD1 PHE 38 HD2 PHE 38 -10.323 -4.463 3.224 305 HD2 PHE 38 HD1 PHE 38 -6.716 -5.220 5.315 306 HE1 PHE 38 HE2 PHE 38 -10.429 -2.216 4.237 307 HE2 PHE 38 HE1 PHE 38 -6.800 -2.994 6.331 308 HZ PHE 38 HZ PHE 38 -8.654 -1.488 5.792 309 H ASP 39 HN ASP 39 -10.339 -8.012 2.214 310 HA ASP 39 HA ASP 39 -8.951 -10.534 1.991 311 1HB ASP 39 HB2 ASP 39 -11.433 -10.713 3.028 312 2HB ASP 39 HB3 ASP 39 -11.892 -10.576 1.338 313 H ASN 40 HN ASN 40 -10.440 -11.303 -0.226 314 HA ASN 40 HA ASN 40 -10.163 -11.257 -2.493 315 1HB ASN 40 HB2 ASN 40 -11.398 -9.582 -3.647 316 2HB ASN 40 HB3 ASN 40 -12.219 -9.849 -2.119 317 1HD2 ASN 40 HD22 ASN 40 -11.929 -6.562 -1.037 318 2HD2 ASN 40 HD21 ASN 40 -12.459 -8.176 -0.715 319 H ILE 41 HN ILE 41 -7.923 -10.049 -0.795 320 HA ILE 41 HA ILE 41 -6.600 -8.424 -2.822 321 HB ILE 41 HB ILE 41 -6.484 -8.614 0.146 322 1HG1 ILE 41 HG12 ILE 41 -7.544 -6.839 -1.570 323 2HG1 ILE 41 HG13 ILE 41 -6.989 -6.399 0.043 324 1HG2 ILE 41 HG22 ILE 41 -4.080 -7.948 -1.518 325 2HG2 ILE 41 HG23 ILE 41 -4.342 -7.193 0.050 326 3HG2 ILE 41 HG21 ILE 41 -4.198 -8.942 -0.066 327 1HD1 ILE 41 HD13 ILE 41 -5.219 -6.217 -2.371 328 2HD1 ILE 41 HD11 ILE 41 -6.269 -4.902 -1.852 329 3HD1 ILE 41 HD12 ILE 41 -4.988 -5.479 -0.786 330 H ASN 42 HN ASN 42 -4.961 -9.094 -3.925 331 HA ASN 42 HA ASN 42 -3.164 -11.154 -2.954 332 1HB ASN 42 HB2 ASN 42 -3.313 -12.613 -4.823 333 2HB ASN 42 HB3 ASN 42 -4.961 -12.338 -4.290 334 1HD2 ASN 42 HD22 ASN 42 -6.018 -10.850 -7.272 335 2HD2 ASN 42 HD21 ASN 42 -6.376 -11.181 -5.612 336 H GLN 43 HN GLN 43 -1.428 -11.426 -4.953 337 HA GLN 43 HA GLN 43 0.055 -9.108 -4.923 338 1HB GLN 43 HB2 GLN 43 0.735 -11.526 -5.553 339 2HB GLN 43 HB3 GLN 43 0.337 -11.056 -7.202 340 1HG GLN 43 HG2 GLN 43 1.979 -9.246 -7.089 341 2HG GLN 43 HG3 GLN 43 2.353 -9.681 -5.423 342 1HE2 GLN 43 HE22 GLN 43 4.274 -12.518 -6.274 343 2HE2 GLN 43 HE21 GLN 43 3.280 -11.807 -5.050 344 H SER 44 HN SER 44 -2.364 -10.005 -7.364 345 HA SER 44 HA SER 44 -1.629 -8.070 -9.290 346 1HB SER 44 HB2 SER 44 -3.715 -8.608 -10.358 347 2HB SER 44 HB3 SER 44 -3.068 -10.101 -9.697 348 HG SER 44 HG SER 44 -5.165 -10.112 -9.066 349 H LYS 45 HN LYS 45 -4.299 -8.064 -6.933 350 HA LYS 45 HA LYS 45 -5.220 -5.473 -7.405 351 1HB LYS 45 HB2 LYS 45 -6.070 -7.527 -5.873 352 2HB LYS 45 HB3 LYS 45 -5.398 -6.503 -4.614 353 1HG LYS 45 HG2 LYS 45 -7.167 -5.163 -4.665 354 2HG LYS 45 HG3 LYS 45 -7.042 -4.954 -6.412 355 1HD LYS 45 HD2 LYS 45 -8.234 -7.079 -6.748 356 2HD LYS 45 HD3 LYS 45 -8.369 -7.271 -5.002 357 1HE LYS 45 HE2 LYS 45 -9.629 -5.125 -6.702 358 2HE LYS 45 HE3 LYS 45 -10.450 -6.423 -5.835 359 1HZ LYS 45 HZ1 LYS 45 -9.565 -5.416 -3.751 360 2HZ LYS 45 HZ3 LYS 45 -9.022 -4.092 -4.671 361 3HZ LYS 45 HZ2 LYS 45 -10.686 -4.439 -4.570 362 H VAL 46 HN VAL 46 -2.599 -6.583 -5.363 363 HA VAL 46 HA VAL 46 -2.151 -4.070 -4.030 364 HB VAL 46 HB VAL 46 -0.627 -6.661 -4.130 365 1HG1 VAL 46 HG11 VAL 46 0.189 -4.146 -2.672 366 2HG1 VAL 46 HG12 VAL 46 0.888 -5.740 -2.429 367 3HG1 VAL 46 HG13 VAL 46 1.080 -4.936 -3.976 368 1HG2 VAL 46 HG22 VAL 46 -2.324 -5.191 -2.143 369 2HG2 VAL 46 HG23 VAL 46 -2.470 -6.850 -2.717 370 3HG2 VAL 46 HG21 VAL 46 -1.172 -6.404 -1.611 371 H SER 47 HN SER 47 -0.718 -5.759 -6.823 372 HA SER 47 HA SER 47 1.292 -3.778 -7.307 373 1HB SER 47 HB2 SER 47 1.525 -6.054 -8.159 374 2HB SER 47 HB3 SER 47 0.094 -5.849 -9.166 375 HG SER 47 HG SER 47 1.181 -4.537 -10.504 376 H ARG 48 HN ARG 48 -2.028 -4.278 -8.432 377 HA ARG 48 HA ARG 48 -2.023 -2.209 -10.393 378 1HB ARG 48 HB2 ARG 48 -4.187 -3.730 -8.963 379 2HB ARG 48 HB3 ARG 48 -4.590 -2.367 -10.001 380 1HG ARG 48 HG2 ARG 48 -3.615 -3.442 -11.914 381 2HG ARG 48 HG3 ARG 48 -2.972 -4.742 -10.910 382 1HD ARG 48 HD2 ARG 48 -4.921 -5.559 -12.033 383 2HD ARG 48 HD3 ARG 48 -5.301 -5.373 -10.322 384 HE ARG 48 HE ARG 48 -6.056 -3.010 -11.629 385 1HH1 ARG 48 HH12 ARG 48 -6.945 -6.409 -11.578 386 2HH1 ARG 48 HH11 ARG 48 -8.608 -6.119 -12.005 387 1HH2 ARG 48 HH22 ARG 48 -8.253 -2.617 -12.185 388 2HH2 ARG 48 HH21 ARG 48 -9.349 -3.966 -12.354 389 H MET 49 HN MET 49 -2.948 -2.298 -6.960 390 HA MET 49 HA MET 49 -3.823 0.404 -6.829 391 1HB MET 49 HB2 MET 49 -3.085 -1.664 -4.798 392 2HB MET 49 HB3 MET 49 -3.242 0.009 -4.286 393 1HG MET 49 HG2 MET 49 -5.530 -0.002 -5.361 394 2HG MET 49 HG3 MET 49 -5.352 -1.746 -5.498 395 1HE MET 49 HE1 MET 49 -4.082 -2.869 -3.199 396 2HE MET 49 HE2 MET 49 -5.185 -2.924 -1.827 397 3HE MET 49 HE3 MET 49 -5.737 -3.433 -3.422 398 H LEU 50 HN LEU 50 -0.645 -1.126 -6.470 399 HA LEU 50 HA LEU 50 0.762 1.098 -5.424 400 1HB LEU 50 HB2 LEU 50 1.543 -1.398 -6.886 401 2HB LEU 50 HB3 LEU 50 2.730 -0.110 -6.774 402 HG LEU 50 HG LEU 50 1.377 -1.054 -4.285 403 1HD1 LEU 50 HD13 LEU 50 3.602 -2.473 -5.718 404 2HD1 LEU 50 HD11 LEU 50 3.267 -2.682 -4.002 405 3HD1 LEU 50 HD12 LEU 50 2.059 -3.139 -5.196 406 1HD2 LEU 50 HD21 LEU 50 3.964 0.253 -4.977 407 2HD2 LEU 50 HD22 LEU 50 2.702 0.778 -3.858 408 3HD2 LEU 50 HD23 LEU 50 3.743 -0.579 -3.439 409 H THR 51 HN THR 51 0.109 0.061 -8.743 410 HA THR 51 HA THR 51 1.494 2.228 -10.001 411 HB THR 51 HB THR 51 -0.708 0.662 -11.337 412 HG1 THR 51 HG1 THR 51 0.381 -1.004 -10.481 413 1HG2 THR 51 HG22 THR 51 1.887 1.863 -12.249 414 2HG2 THR 51 HG21 THR 51 1.017 0.652 -13.195 415 3HG2 THR 51 HG23 THR 51 0.250 2.196 -12.826 416 H LYS 52 HN LYS 52 -1.916 1.572 -9.221 417 HA LYS 52 HA LYS 52 -3.081 3.820 -10.424 418 1HB LYS 52 HB2 LYS 52 -4.419 1.932 -9.671 419 2HB LYS 52 HB3 LYS 52 -3.954 2.219 -8.002 420 1HG LYS 52 HG2 LYS 52 -5.250 4.511 -9.298 421 2HG LYS 52 HG3 LYS 52 -6.266 3.075 -9.158 422 1HD LYS 52 HD2 LYS 52 -5.727 2.973 -6.737 423 2HD LYS 52 HD3 LYS 52 -4.825 4.477 -6.905 424 1HE LYS 52 HE2 LYS 52 -7.781 4.021 -7.135 425 2HE LYS 52 HE3 LYS 52 -6.910 5.151 -6.101 426 1HZ LYS 52 HZ3 LYS 52 -6.190 6.216 -8.312 427 2HZ LYS 52 HZ2 LYS 52 -7.512 5.367 -8.979 428 3HZ LYS 52 HZ1 LYS 52 -7.762 6.505 -7.739 429 H PHE 53 HN PHE 53 -2.128 3.357 -7.005 430 HA PHE 53 HA PHE 53 -2.688 6.078 -6.302 431 1HB PHE 53 HB2 PHE 53 -1.298 3.819 -4.837 432 2HB PHE 53 HB3 PHE 53 -1.456 5.429 -4.147 433 HD1 PHE 53 HD1 PHE 53 -4.079 6.323 -4.599 434 HD2 PHE 53 HD2 PHE 53 -2.768 2.337 -3.904 435 HE1 PHE 53 HE1 PHE 53 -6.307 5.741 -3.741 436 HE2 PHE 53 HE2 PHE 53 -4.982 1.749 -3.042 437 HZ PHE 53 HZ PHE 53 -6.767 3.452 -2.971 438 H GLY 54 HN GLY 54 0.097 4.451 -7.584 439 1HA GLY 54 HA1 GLY 54 1.998 5.402 -8.501 440 2HA GLY 54 HA2 GLY 54 1.456 6.975 -7.938 441 H ALA 55 HN ALA 55 2.484 3.891 -6.468 442 HA ALA 55 HA ALA 55 3.732 5.228 -4.246 443 1HB ALA 55 HB2 ALA 55 2.630 2.856 -4.374 444 2HB ALA 55 HB3 ALA 55 4.251 2.356 -4.855 445 3HB ALA 55 HB1 ALA 55 3.999 3.153 -3.304 446 H VAL 56 HN VAL 56 5.943 5.147 -3.687 447 HA VAL 56 HA VAL 56 7.834 4.753 -5.923 448 HB VAL 56 HB VAL 56 9.097 6.718 -5.200 449 1HG1 VAL 56 HG11 VAL 56 6.985 6.757 -6.772 450 2HG1 VAL 56 HG12 VAL 56 6.324 7.767 -5.482 451 3HG1 VAL 56 HG13 VAL 56 7.803 8.247 -6.309 452 1HG2 VAL 56 HG22 VAL 56 6.961 6.939 -3.099 453 2HG2 VAL 56 HG23 VAL 56 8.711 6.976 -2.906 454 3HG2 VAL 56 HG21 VAL 56 7.878 8.346 -3.634 455 H ARG 57 HN ARG 57 9.783 3.799 -5.404 456 HA ARG 57 HA ARG 57 9.919 2.507 -2.799 457 1HB ARG 57 HB2 ARG 57 11.930 2.250 -5.036 458 2HB ARG 57 HB3 ARG 57 11.644 1.142 -3.701 459 1HG ARG 57 HG2 ARG 57 9.213 1.142 -4.875 460 2HG ARG 57 HG3 ARG 57 10.240 1.413 -6.274 461 1HD ARG 57 HD2 ARG 57 10.101 -0.932 -4.433 462 2HD ARG 57 HD3 ARG 57 10.100 -0.896 -6.195 463 HE ARG 57 HE ARG 57 12.549 -0.038 -5.780 464 1HH1 ARG 57 HH12 ARG 57 10.850 -2.593 -4.078 465 2HH1 ARG 57 HH11 ARG 57 12.303 -3.473 -3.683 466 1HH2 ARG 57 HH22 ARG 57 14.442 -1.189 -5.279 467 2HH2 ARG 57 HH21 ARG 57 14.340 -2.676 -4.373 468 H THR 58 HN THR 58 11.401 2.919 -1.199 469 HA THR 58 HA THR 58 13.569 4.825 -1.639 470 HB THR 58 HB THR 58 11.573 6.239 -1.205 471 HG1 THR 58 HG1 THR 58 12.615 7.561 0.133 472 1HG2 THR 58 HG21 THR 58 10.400 4.597 0.299 473 2HG2 THR 58 HG23 THR 58 11.497 5.118 1.580 474 3HG2 THR 58 HG22 THR 58 10.401 6.283 0.830 475 H ARG 59 HN ARG 59 14.953 5.087 0.283 476 HA ARG 59 HA ARG 59 15.287 2.547 1.666 477 1HB ARG 59 HB2 ARG 59 17.020 4.692 0.823 478 2HB ARG 59 HB3 ARG 59 17.215 4.457 2.552 479 1HG ARG 59 HG2 ARG 59 17.381 1.913 1.832 480 2HG ARG 59 HG3 ARG 59 17.860 2.628 0.295 481 1HD ARG 59 HD2 ARG 59 19.145 3.573 2.821 482 2HD ARG 59 HD3 ARG 59 19.656 2.043 2.116 483 HE ARG 59 HE ARG 59 20.028 3.444 0.003 484 1HH1 ARG 59 HH12 ARG 59 20.491 4.682 3.262 485 2HH1 ARG 59 HH11 ARG 59 21.687 5.846 2.772 486 1HH2 ARG 59 HH22 ARG 59 21.570 4.965 -0.619 487 2HH2 ARG 59 HH21 ARG 59 22.288 6.021 0.565 488 H ASN 60 HN ASN 60 14.655 2.180 3.735 489 HA ASN 60 HA ASN 60 13.436 4.346 5.248 490 1HB ASN 60 HB2 ASN 60 12.589 2.667 6.751 491 2HB ASN 60 HB3 ASN 60 12.312 2.149 5.098 492 1HD2 ASN 60 HD22 ASN 60 13.367 -0.860 6.776 493 2HD2 ASN 60 HD21 ASN 60 12.003 0.196 6.671 494 H ALA 61 HN ALA 61 13.888 3.761 7.866 495 HA ALA 61 HA ALA 61 16.360 4.999 8.383 496 1HB ALA 61 HB1 ALA 61 14.402 5.113 9.882 497 2HB ALA 61 HB2 ALA 61 14.682 3.431 10.339 498 3HB ALA 61 HB3 ALA 61 15.883 4.661 10.724 499 H LYS 62 HN LYS 62 15.610 1.630 7.960 500 HA LYS 62 HA LYS 62 18.160 0.793 9.154 501 1HB LYS 62 HB2 LYS 62 15.747 -0.775 8.251 502 2HB LYS 62 HB3 LYS 62 17.283 -1.531 8.657 503 1HG LYS 62 HG2 LYS 62 15.929 -1.699 10.578 504 2HG LYS 62 HG3 LYS 62 17.117 -0.438 10.912 505 1HD LYS 62 HD2 LYS 62 15.558 1.228 10.908 506 2HD LYS 62 HD3 LYS 62 14.505 0.399 9.762 507 1HE LYS 62 HE2 LYS 62 14.901 -0.674 12.536 508 2HE LYS 62 HE3 LYS 62 13.756 0.629 12.231 509 1HZ LYS 62 HZ3 LYS 62 13.606 -1.788 10.561 510 2HZ LYS 62 HZ2 LYS 62 12.991 -1.842 12.154 511 3HZ LYS 62 HZ1 LYS 62 12.377 -0.712 11.041 512 H MET 63 HN MET 63 17.623 2.145 6.412 513 HA MET 63 HA MET 63 18.632 2.165 4.393 514 1HB MET 63 HB2 MET 63 20.423 -0.143 4.998 515 2HB MET 63 HB3 MET 63 20.786 1.395 4.248 516 1HG MET 63 HG2 MET 63 20.405 2.388 6.587 517 2HG MET 63 HG3 MET 63 20.595 0.725 7.133 518 1HE MET 63 HE2 MET 63 22.621 0.291 8.277 519 2HE MET 63 HE3 MET 63 22.940 -0.688 6.846 520 3HE MET 63 HE1 MET 63 24.215 0.319 7.528 521 H GLU 64 HN GLU 64 16.375 0.221 4.965 522 HA GLU 64 HA GLU 64 16.838 -1.833 2.915 523 1HB GLU 64 HB2 GLU 64 14.506 -1.452 4.814 524 2HB GLU 64 HB3 GLU 64 14.708 -2.799 3.706 525 1HG GLU 64 HG2 GLU 64 16.846 -2.242 5.719 526 2HG GLU 64 HG3 GLU 64 15.352 -3.003 6.249 527 H MET 65 HN MET 65 15.924 -1.716 0.926 528 HA MET 65 HA MET 65 14.547 0.677 0.125 529 1HB MET 65 HB2 MET 65 15.300 -1.859 -1.325 530 2HB MET 65 HB3 MET 65 14.372 -0.578 -2.093 531 1HG MET 65 HG2 MET 65 17.143 -0.340 -0.943 532 2HG MET 65 HG3 MET 65 16.702 -0.394 -2.642 533 1HE MET 65 HE3 MET 65 15.656 1.563 -3.987 534 2HE MET 65 HE1 MET 65 14.227 1.449 -2.962 535 3HE MET 65 HE2 MET 65 14.983 3.018 -3.251 536 H VAL 66 HN VAL 66 12.543 0.932 0.797 537 HA VAL 66 HA VAL 66 10.625 -1.288 0.493 538 HB VAL 66 HB VAL 66 9.340 -0.345 2.398 539 1HG1 VAL 66 HG11 VAL 66 10.837 -2.248 2.717 540 2HG1 VAL 66 HG12 VAL 66 12.184 -1.151 3.032 541 3HG1 VAL 66 HG13 VAL 66 10.819 -1.211 4.145 542 1HG2 VAL 66 HG23 VAL 66 11.758 1.446 2.688 543 2HG2 VAL 66 HG21 VAL 66 10.082 1.938 2.444 544 3HG2 VAL 66 HG22 VAL 66 10.567 1.179 3.959 545 H TYR 67 HN TYR 67 8.368 -0.586 0.329 546 HA TYR 67 HA TYR 67 8.045 1.397 -1.746 547 1HB TYR 67 HB2 TYR 67 6.318 -0.678 -0.446 548 2HB TYR 67 HB3 TYR 67 5.517 0.677 -1.221 549 HD1 TYR 67 HD1 TYR 67 7.164 1.139 -3.599 550 HD2 TYR 67 HD2 TYR 67 5.865 -2.498 -1.812 551 HE1 TYR 67 HE1 TYR 67 7.303 0.036 -5.779 552 HE2 TYR 67 HE2 TYR 67 5.986 -3.630 -3.989 553 HH TYR 67 HH TYR 67 6.480 -1.858 -6.944 554 H CYS 68 HN CYS 68 7.152 3.384 -1.537 555 HA CYS 68 HA CYS 68 5.837 4.149 0.962 556 1HB CYS 68 HB2 CYS 68 8.278 4.829 1.048 557 2HB CYS 68 HB3 CYS 68 7.952 5.916 -0.293 558 HG CYS 68 HG CYS 68 7.740 6.854 2.343 559 H LEU 69 HN LEU 69 4.975 6.489 0.649 560 HA LEU 69 HA LEU 69 3.831 6.706 -2.063 561 1HB LEU 69 HB2 LEU 69 2.395 5.875 0.047 562 2HB LEU 69 HB3 LEU 69 2.225 7.602 0.268 563 HG LEU 69 HG LEU 69 1.317 7.777 -2.027 564 1HD1 LEU 69 HD12 LEU 69 2.235 5.050 -2.165 565 2HD1 LEU 69 HD13 LEU 69 0.509 5.134 -2.509 566 3HD1 LEU 69 HD11 LEU 69 1.642 6.097 -3.454 567 1HD2 LEU 69 HD21 LEU 69 0.052 7.143 0.241 568 2HD2 LEU 69 HD22 LEU 69 -0.778 7.367 -1.299 569 3HD2 LEU 69 HD23 LEU 69 -0.377 5.745 -0.737 570 HA PRO 70 HA PRO 70 5.413 10.863 -1.752 571 1HB PRO 70 HB2 PRO 70 4.169 11.947 -3.901 572 2HB PRO 70 HB3 PRO 70 5.551 10.851 -4.036 573 1HG PRO 70 HG2 PRO 70 2.632 10.234 -4.319 574 2HG PRO 70 HG3 PRO 70 3.983 9.716 -5.341 575 1HD PRO 70 HD2 PRO 70 2.897 8.115 -3.462 576 2HD PRO 70 HD3 PRO 70 4.625 8.058 -3.859 577 H ALA 71 HN ALA 71 4.688 12.980 -1.289 578 HA ALA 71 HA ALA 71 2.407 13.132 0.372 579 1HB ALA 71 HB2 ALA 71 4.180 15.310 -0.724 580 2HB ALA 71 HB3 ALA 71 3.012 15.514 0.587 581 3HB ALA 71 HB1 ALA 71 4.398 14.442 0.795 582 H GLU 72 HN GLU 72 0.384 13.115 -0.390 583 HA GLU 72 HA GLU 72 -1.504 13.592 -1.535 584 1HB GLU 72 HB2 GLU 72 -0.080 16.254 -1.613 585 2HB GLU 72 HB3 GLU 72 -1.709 16.047 -2.223 586 1HG GLU 72 HG2 GLU 72 -1.993 16.864 -0.063 587 2HG GLU 72 HG3 GLU 72 -2.312 15.137 0.068 588 H LEU 73 HN LEU 73 -0.795 12.053 -3.233 589 HA LEU 73 HA LEU 73 -0.308 13.387 -5.829 590 1HB LEU 73 HB2 LEU 73 1.395 11.707 -5.194 591 2HB LEU 73 HB3 LEU 73 0.143 10.484 -5.109 592 HG LEU 73 HG LEU 73 -0.302 10.983 -7.588 593 1HD1 LEU 73 HD13 LEU 73 0.869 13.131 -7.679 594 2HD1 LEU 73 HD11 LEU 73 2.395 12.309 -7.354 595 3HD1 LEU 73 HD12 LEU 73 1.518 11.981 -8.846 596 1HD2 LEU 73 HD21 LEU 73 1.244 9.129 -6.421 597 2HD2 LEU 73 HD22 LEU 73 1.031 9.259 -8.168 598 3HD2 LEU 73 HD23 LEU 73 2.459 9.952 -7.398 599 H GLY 74 HN GLY 74 -2.358 13.915 -6.414 600 1HA GLY 74 HA1 GLY 74 -4.207 13.140 -7.781 601 2HA GLY 74 HA2 GLY 74 -4.275 11.686 -6.801 602 H VAL 75 HN VAL 75 -5.052 15.083 -6.972 603 HA VAL 75 HA VAL 75 -6.657 16.336 -5.967 604 HB VAL 75 HB VAL 75 -7.570 13.995 -4.330 605 1HG1 VAL 75 HG22 VAL 75 -8.738 16.613 -5.171 606 2HG1 VAL 75 HG23 VAL 75 -9.800 15.249 -4.821 607 3HG1 VAL 75 HG21 VAL 75 -8.706 15.857 -3.576 608 1HG2 VAL 75 HG13 VAL 75 -7.867 14.462 -7.243 609 2HG2 VAL 75 HG11 VAL 75 -7.819 12.949 -6.337 610 3HG2 VAL 75 HG12 VAL 75 -9.292 13.914 -6.364 611 HA PRO 76 HA PRO 76 -3.796 16.977 -2.447 612 1HB PRO 76 HB2 PRO 76 -4.257 19.822 -3.012 613 2HB PRO 76 HB3 PRO 76 -2.752 18.900 -3.041 614 1HG PRO 76 HG2 PRO 76 -3.937 19.825 -5.288 615 2HG PRO 76 HG3 PRO 76 -2.991 18.327 -5.255 616 1HD PRO 76 HD2 PRO 76 -5.968 18.694 -5.214 617 2HD PRO 76 HD3 PRO 76 -4.994 17.496 -6.096 618 H THR 77 HN THR 77 -4.662 16.747 -0.498 619 HA THR 77 HA THR 77 -6.218 18.748 0.763 620 HB THR 77 HB THR 77 -8.016 17.696 -0.632 621 HG1 THR 77 HG1 THR 77 -8.982 18.467 1.099 622 1HG2 THR 77 HG23 THR 77 -7.129 15.353 -0.641 623 2HG2 THR 77 HG22 THR 77 -7.700 15.197 1.021 624 3HG2 THR 77 HG21 THR 77 -8.847 15.500 -0.285 625 H THR 78 HN THR 78 -7.358 17.223 2.815 626 HA THR 78 HA THR 78 -4.950 16.229 4.153 627 HB THR 78 HB THR 78 -6.476 16.250 6.200 628 HG1 THR 78 HG1 THR 78 -8.477 16.752 5.935 629 1HG2 THR 78 HG21 THR 78 -4.857 18.090 5.587 630 2HG2 THR 78 HG23 THR 78 -6.246 18.961 4.938 631 3HG2 THR 78 HG22 THR 78 -6.194 18.529 6.647 No H/Q in entry = 631 Start of MODEL 11 1 1H MET 1 HT3 MET 1 -26.303 2.091 -4.242 2 2H MET 1 HT2 MET 1 -27.465 3.229 -3.676 3 3H MET 1 HT1 MET 1 -26.927 3.284 -5.315 4 HA MET 1 HA MET 1 -24.876 4.054 -4.767 5 1HB MET 1 HB2 MET 1 -26.816 5.311 -2.800 6 2HB MET 1 HB3 MET 1 -25.340 6.050 -3.399 7 1HG MET 1 HG2 MET 1 -26.923 7.069 -4.704 8 2HG MET 1 HG3 MET 1 -26.436 5.728 -5.736 9 1HE MET 1 HE1 MET 1 -28.652 6.864 -6.794 10 2HE MET 1 HE2 MET 1 -28.724 5.163 -7.254 11 3HE MET 1 HE3 MET 1 -30.168 5.971 -6.637 12 H ARG 2 HN ARG 2 -23.112 4.276 -3.337 13 HA ARG 2 HA ARG 2 -23.283 3.452 -0.588 14 1HB ARG 2 HB2 ARG 2 -21.579 1.553 -0.932 15 2HB ARG 2 HB3 ARG 2 -23.257 1.229 -1.328 16 1HG ARG 2 HG2 ARG 2 -22.820 0.901 -3.507 17 2HG ARG 2 HG3 ARG 2 -21.654 2.220 -3.586 18 1HD ARG 2 HD2 ARG 2 -21.118 -0.496 -2.374 19 2HD ARG 2 HD3 ARG 2 -20.648 -0.002 -4.001 20 HE ARG 2 HE ARG 2 -19.653 1.834 -2.066 21 1HH1 ARG 2 HH12 ARG 2 -19.094 -1.385 -3.346 22 2HH1 ARG 2 HH11 ARG 2 -17.399 -1.371 -2.948 23 1HH2 ARG 2 HH22 ARG 2 -17.420 1.825 -1.544 24 2HH2 ARG 2 HH21 ARG 2 -16.454 0.424 -1.942 25 H SER 3 HN SER 3 -22.426 5.655 -0.569 26 HA SER 3 HA SER 3 -19.819 6.244 -1.602 27 1HB SER 3 HB2 SER 3 -21.408 7.700 0.538 28 2HB SER 3 HB3 SER 3 -20.008 8.337 -0.327 29 HG SER 3 HG SER 3 -21.619 9.119 -1.510 30 H SER 4 HN SER 4 -21.033 5.674 1.705 31 HA SER 4 HA SER 4 -18.356 4.695 2.467 32 1HB SER 4 HB2 SER 4 -20.092 6.468 4.222 33 2HB SER 4 HB3 SER 4 -18.498 5.833 4.621 34 HG SER 4 HG SER 4 -18.961 8.127 3.558 35 H ALA 5 HN ALA 5 -18.671 2.575 2.879 36 HA ALA 5 HA ALA 5 -20.349 1.689 4.963 37 1HB ALA 5 HB2 ALA 5 -21.441 1.336 2.186 38 2HB ALA 5 HB3 ALA 5 -21.861 0.222 3.486 39 3HB ALA 5 HB1 ALA 5 -22.255 1.929 3.631 40 H LYS 6 HN LYS 6 -19.283 0.332 1.808 41 HA LYS 6 HA LYS 6 -18.091 -1.915 3.309 42 1HB LYS 6 HB2 LYS 6 -19.257 -1.877 0.515 43 2HB LYS 6 HB3 LYS 6 -18.496 -3.271 1.278 44 1HG LYS 6 HG2 LYS 6 -20.212 -3.086 3.100 45 2HG LYS 6 HG3 LYS 6 -21.042 -1.892 2.100 46 1HD LYS 6 HD2 LYS 6 -22.072 -3.529 1.006 47 2HD LYS 6 HD3 LYS 6 -20.511 -4.106 0.427 48 1HE LYS 6 HE2 LYS 6 -21.935 -5.810 1.618 49 2HE LYS 6 HE3 LYS 6 -20.292 -5.630 2.224 50 1HZ LYS 6 HZ2 LYS 6 -22.014 -3.865 3.607 51 2HZ LYS 6 HZ1 LYS 6 -22.666 -5.438 3.663 52 3HZ LYS 6 HZ3 LYS 6 -21.078 -5.151 4.222 53 H GLN 7 HN GLN 7 -16.074 -2.179 3.295 54 HA GLN 7 HA GLN 7 -13.878 -2.006 2.951 55 1HB GLN 7 HB2 GLN 7 -15.113 -3.080 0.539 56 2HB GLN 7 HB3 GLN 7 -13.498 -2.441 0.254 57 1HG GLN 7 HG2 GLN 7 -12.880 -3.776 2.392 58 2HG GLN 7 HG3 GLN 7 -14.370 -4.659 2.064 59 1HE2 GLN 7 HE22 GLN 7 -11.509 -6.412 0.486 60 2HE2 GLN 7 HE21 GLN 7 -11.894 -5.885 2.088 61 H GLU 8 HN GLU 8 -15.280 0.632 2.600 62 HA GLU 8 HA GLU 8 -13.509 2.075 0.794 63 1HB GLU 8 HB2 GLU 8 -14.610 4.096 1.875 64 2HB GLU 8 HB3 GLU 8 -15.668 3.025 0.976 65 1HG GLU 8 HG2 GLU 8 -16.970 2.742 2.739 66 2HG GLU 8 HG3 GLU 8 -15.616 2.152 3.695 67 H GLU 9 HN GLU 9 -12.275 0.447 2.776 68 HA GLU 9 HA GLU 9 -10.935 2.434 4.507 69 1HB GLU 9 HB2 GLU 9 -11.407 -0.487 5.153 70 2HB GLU 9 HB3 GLU 9 -10.673 0.721 6.202 71 1HG GLU 9 HG2 GLU 9 -12.819 1.957 6.205 72 2HG GLU 9 HG3 GLU 9 -13.532 0.652 5.260 73 H LEU 10 HN LEU 10 -10.678 -0.458 2.535 74 HA LEU 10 HA LEU 10 -8.020 -1.134 2.847 75 1HB LEU 10 HB2 LEU 10 -9.884 -2.246 1.444 76 2HB LEU 10 HB3 LEU 10 -9.359 -1.198 0.150 77 HG LEU 10 HG LEU 10 -8.447 -3.728 0.610 78 1HD1 LEU 10 HD13 LEU 10 -8.287 -2.390 -1.447 79 2HD1 LEU 10 HD11 LEU 10 -6.884 -1.570 -0.766 80 3HD1 LEU 10 HD12 LEU 10 -6.825 -3.302 -1.086 81 1HD2 LEU 10 HD22 LEU 10 -7.219 -2.937 2.633 82 2HD2 LEU 10 HD23 LEU 10 -6.244 -3.740 1.417 83 3HD2 LEU 10 HD21 LEU 10 -6.200 -1.989 1.553 84 H VAL 11 HN VAL 11 -9.394 1.490 0.982 85 HA VAL 11 HA VAL 11 -7.017 2.172 -0.445 86 HB VAL 11 HB VAL 11 -9.166 4.179 0.267 87 1HG1 VAL 11 HG11 VAL 11 -6.962 4.261 -1.423 88 2HG1 VAL 11 HG12 VAL 11 -8.342 4.025 -2.496 89 3HG1 VAL 11 HG13 VAL 11 -8.316 5.386 -1.387 90 1HG2 VAL 11 HG22 VAL 11 -9.443 1.801 -1.536 91 2HG2 VAL 11 HG23 VAL 11 -10.569 2.421 -0.328 92 3HG2 VAL 11 HG21 VAL 11 -10.343 3.285 -1.848 93 H LYS 12 HN LYS 12 -8.401 3.346 2.656 94 HA LYS 12 HA LYS 12 -6.350 5.290 3.087 95 1HB LYS 12 HB2 LYS 12 -8.240 4.064 5.089 96 2HB LYS 12 HB3 LYS 12 -7.192 5.442 5.385 97 1HG LYS 12 HG2 LYS 12 -8.969 6.672 4.818 98 2HG LYS 12 HG3 LYS 12 -8.530 6.265 3.157 99 1HD LYS 12 HD2 LYS 12 -10.657 5.506 3.060 100 2HD LYS 12 HD3 LYS 12 -9.945 4.089 3.822 101 1HE LYS 12 HE2 LYS 12 -11.753 4.513 5.226 102 2HE LYS 12 HE3 LYS 12 -10.460 5.386 6.044 103 1HZ LYS 12 HZ2 LYS 12 -11.205 7.430 4.967 104 2HZ LYS 12 HZ1 LYS 12 -12.468 6.583 4.199 105 3HZ LYS 12 HZ3 LYS 12 -12.458 6.732 5.891 106 H ALA 13 HN ALA 13 -6.907 1.968 4.106 107 HA ALA 13 HA ALA 13 -4.670 1.685 5.820 108 1HB ALA 13 HB1 ALA 13 -6.163 -0.424 4.256 109 2HB ALA 13 HB2 ALA 13 -5.013 -0.733 5.556 110 3HB ALA 13 HB3 ALA 13 -6.520 0.114 5.898 111 H PHE 14 HN PHE 14 -5.141 1.003 2.354 112 HA PHE 14 HA PHE 14 -2.653 -0.105 1.771 113 1HB PHE 14 HB2 PHE 14 -4.666 0.046 0.197 114 2HB PHE 14 HB3 PHE 14 -4.163 1.692 -0.159 115 HD1 PHE 14 HD2 PHE 14 -3.261 -1.865 -0.411 116 HD2 PHE 14 HD1 PHE 14 -2.227 2.111 -1.533 117 HE1 PHE 14 HE2 PHE 14 -1.674 -2.748 -2.055 118 HE2 PHE 14 HE1 PHE 14 -0.629 1.217 -3.190 119 HZ PHE 14 HZ PHE 14 -0.365 -1.211 -3.440 120 H LYS 15 HN LYS 15 -3.608 3.346 1.550 121 HA LYS 15 HA LYS 15 -1.101 4.348 0.801 122 1HB LYS 15 HB2 LYS 15 -3.507 5.545 2.073 123 2HB LYS 15 HB3 LYS 15 -2.014 6.475 2.072 124 1HG LYS 15 HG2 LYS 15 -2.317 7.073 -0.029 125 2HG LYS 15 HG3 LYS 15 -2.422 5.391 -0.537 126 1HD LYS 15 HD2 LYS 15 -4.636 5.406 -0.692 127 2HD LYS 15 HD3 LYS 15 -4.842 6.298 0.807 128 1HE LYS 15 HE2 LYS 15 -4.815 7.266 -1.975 129 2HE LYS 15 HE3 LYS 15 -5.672 7.898 -0.570 130 1HZ LYS 15 HZ1 LYS 15 -3.291 8.669 0.129 131 2HZ LYS 15 HZ3 LYS 15 -2.982 8.548 -1.541 132 3HZ LYS 15 HZ2 LYS 15 -4.212 9.577 -0.984 133 H ALA 16 HN ALA 16 -2.523 3.901 4.011 134 HA ALA 16 HA ALA 16 -0.528 5.073 5.570 135 1HB ALA 16 HB2 ALA 16 -2.718 4.523 6.466 136 2HB ALA 16 HB3 ALA 16 -2.377 2.802 6.304 137 3HB ALA 16 HB1 ALA 16 -1.452 3.783 7.441 138 H LEU 17 HN LEU 17 -0.892 1.663 4.578 139 HA LEU 17 HA LEU 17 1.311 0.585 5.923 140 1HB LEU 17 HB2 LEU 17 0.052 -0.180 3.282 141 2HB LEU 17 HB3 LEU 17 1.304 -1.129 4.052 142 HG LEU 17 HG LEU 17 -1.545 -0.751 4.870 143 1HD1 LEU 17 HD12 LEU 17 0.289 -3.111 4.539 144 2HD1 LEU 17 HD13 LEU 17 -1.356 -3.213 5.166 145 3HD1 LEU 17 HD11 LEU 17 -1.076 -2.655 3.518 146 1HD2 LEU 17 HD22 LEU 17 0.742 -1.442 6.690 147 2HD2 LEU 17 HD23 LEU 17 -0.525 -0.236 6.927 148 3HD2 LEU 17 HD21 LEU 17 -0.914 -1.954 7.013 149 H LEU 18 HN LEU 18 1.123 1.943 2.645 150 HA LEU 18 HA LEU 18 3.852 1.524 1.991 151 1HB LEU 18 HB2 LEU 18 1.980 3.631 0.899 152 2HB LEU 18 HB3 LEU 18 3.487 3.118 0.165 153 HG LEU 18 HG LEU 18 1.240 1.178 0.607 154 1HD1 LEU 18 HD11 LEU 18 1.431 3.374 -1.323 155 2HD1 LEU 18 HD12 LEU 18 1.081 1.791 -2.018 156 3HD1 LEU 18 HD13 LEU 18 0.029 2.460 -0.770 157 1HD2 LEU 18 HD23 LEU 18 3.530 0.341 0.097 158 2HD2 LEU 18 HD21 LEU 18 2.316 -0.084 -1.111 159 3HD2 LEU 18 HD22 LEU 18 3.447 1.228 -1.427 160 H LYS 19 HN LYS 19 2.168 4.486 3.039 161 HA LYS 19 HA LYS 19 4.415 6.150 3.078 162 1HB LYS 19 HB2 LYS 19 1.853 6.367 4.659 163 2HB LYS 19 HB3 LYS 19 3.041 7.653 4.486 164 1HG LYS 19 HG2 LYS 19 2.629 7.875 2.163 165 2HG LYS 19 HG3 LYS 19 1.709 6.370 2.108 166 1HD LYS 19 HD2 LYS 19 -0.094 7.699 2.249 167 2HD LYS 19 HD3 LYS 19 0.301 7.772 3.964 168 1HE LYS 19 HE2 LYS 19 1.125 9.759 1.844 169 2HE LYS 19 HE3 LYS 19 -0.100 10.003 3.087 170 1HZ LYS 19 HZ3 LYS 19 1.978 9.373 4.606 171 2HZ LYS 19 HZ2 LYS 19 2.804 10.082 3.292 172 3HZ LYS 19 HZ1 LYS 19 1.624 10.969 4.142 173 H GLU 20 HN GLU 20 3.468 3.732 5.372 174 HA GLU 20 HA GLU 20 4.915 4.765 7.634 175 1HB GLU 20 HB2 GLU 20 3.793 2.038 6.974 176 2HB GLU 20 HB3 GLU 20 4.692 2.352 8.452 177 1HG GLU 20 HG2 GLU 20 2.461 4.198 7.874 178 2HG GLU 20 HG3 GLU 20 2.011 2.533 8.241 179 H GLU 21 HN GLU 21 5.740 3.051 4.765 180 HA GLU 21 HA GLU 21 7.668 2.300 3.865 181 1HB GLU 21 HB2 GLU 21 9.058 3.777 6.113 182 2HB GLU 21 HB3 GLU 21 9.762 3.284 4.583 183 1HG GLU 21 HG2 GLU 21 8.685 4.930 3.383 184 2HG GLU 21 HG3 GLU 21 7.416 5.131 4.584 185 H LYS 22 HN LYS 22 6.621 0.246 4.964 186 HA LYS 22 HA LYS 22 8.829 -1.161 6.281 187 1HB LYS 22 HB2 LYS 22 7.324 -2.218 7.918 188 2HB LYS 22 HB3 LYS 22 7.410 -0.477 8.134 189 1HG LYS 22 HG2 LYS 22 5.251 -0.376 6.769 190 2HG LYS 22 HG3 LYS 22 5.163 -2.117 7.040 191 1HD LYS 22 HD2 LYS 22 5.718 -0.634 9.489 192 2HD LYS 22 HD3 LYS 22 4.203 -0.143 8.727 193 1HE LYS 22 HE2 LYS 22 3.814 -1.937 10.321 194 2HE LYS 22 HE3 LYS 22 3.464 -2.476 8.682 195 1HZ LYS 22 HZ2 LYS 22 6.124 -2.984 9.870 196 2HZ LYS 22 HZ1 LYS 22 4.807 -3.992 10.251 197 3HZ LYS 22 HZ3 LYS 22 5.315 -3.837 8.636 198 H PHE 23 HN PHE 23 7.553 -1.183 3.561 199 HA PHE 23 HA PHE 23 7.276 -4.098 3.383 200 1HB PHE 23 HB2 PHE 23 5.376 -2.237 1.943 201 2HB PHE 23 HB3 PHE 23 5.384 -3.995 1.893 202 HD1 PHE 23 HD1 PHE 23 4.771 -5.296 3.903 203 HD2 PHE 23 HD2 PHE 23 4.330 -1.073 3.761 204 HE1 PHE 23 HE1 PHE 23 3.293 -5.394 5.863 205 HE2 PHE 23 HE2 PHE 23 2.856 -1.161 5.726 206 HZ PHE 23 HZ PHE 23 2.325 -3.324 6.777 207 H SER 24 HN SER 24 8.790 -4.725 2.084 208 HA SER 24 HA SER 24 9.846 -2.910 0.049 209 1HB SER 24 HB2 SER 24 11.855 -4.205 0.114 210 2HB SER 24 HB3 SER 24 11.341 -4.000 1.779 211 HG SER 24 HG SER 24 10.530 -6.085 1.794 212 H SER 25 HN SER 25 7.459 -5.046 -0.017 213 HA SER 25 HA SER 25 7.671 -5.444 -2.856 214 1HB SER 25 HB2 SER 25 7.266 -7.992 -2.578 215 2HB SER 25 HB3 SER 25 8.907 -7.397 -2.374 216 HG SER 25 HG SER 25 7.483 -8.808 -0.664 217 H GLN 26 HN GLN 26 5.689 -6.479 -3.730 218 HA GLN 26 HA GLN 26 3.323 -5.340 -2.626 219 1HB GLN 26 HB2 GLN 26 3.513 -7.541 -4.686 220 2HB GLN 26 HB3 GLN 26 2.189 -6.449 -4.424 221 1HG GLN 26 HG2 GLN 26 3.042 -5.271 -6.100 222 2HG GLN 26 HG3 GLN 26 4.192 -4.689 -4.904 223 1HE2 GLN 26 HE22 GLN 26 5.711 -6.238 -8.075 224 2HE2 GLN 26 HE21 GLN 26 4.256 -5.321 -7.889 225 H GLY 27 HN GLY 27 4.343 -8.745 -2.981 226 1HA GLY 27 HA1 GLY 27 2.350 -10.092 -1.672 227 2HA GLY 27 HA2 GLY 27 4.027 -10.591 -1.631 228 H GLU 28 HN GLU 28 4.926 -8.261 -0.093 229 HA GLU 28 HA GLU 28 4.499 -9.248 2.534 230 1HB GLU 28 HB2 GLU 28 6.544 -8.010 1.656 231 2HB GLU 28 HB3 GLU 28 5.612 -6.529 1.809 232 1HG GLU 28 HG2 GLU 28 6.731 -6.509 3.798 233 2HG GLU 28 HG3 GLU 28 5.274 -7.371 4.280 234 H ILE 29 HN ILE 29 3.284 -6.340 0.840 235 HA ILE 29 HA ILE 29 1.698 -5.512 3.100 236 HB ILE 29 HB ILE 29 1.987 -3.574 2.105 237 1HG1 ILE 29 HG12 ILE 29 -0.004 -4.459 0.014 238 2HG1 ILE 29 HG13 ILE 29 -0.412 -3.840 1.613 239 1HG2 ILE 29 HG22 ILE 29 3.678 -4.493 0.601 240 2HG2 ILE 29 HG23 ILE 29 2.419 -4.865 -0.574 241 3HG2 ILE 29 HG21 ILE 29 2.762 -3.193 -0.151 242 1HD1 ILE 29 HD13 ILE 29 1.205 -1.870 0.695 243 2HD1 ILE 29 HD11 ILE 29 0.442 -2.414 -0.804 244 3HD1 ILE 29 HD12 ILE 29 -0.554 -1.876 0.551 245 H VAL 30 HN VAL 30 1.237 -7.625 0.416 246 HA VAL 30 HA VAL 30 -1.590 -7.699 0.274 247 HB VAL 30 HB VAL 30 0.444 -9.884 -0.272 248 1HG1 VAL 30 HG12 VAL 30 -2.508 -9.800 -0.794 249 2HG1 VAL 30 HG13 VAL 30 -1.418 -10.865 -1.669 250 3HG1 VAL 30 HG11 VAL 30 -1.589 -11.023 0.076 251 1HG2 VAL 30 HG23 VAL 30 0.211 -7.629 -1.682 252 2HG2 VAL 30 HG21 VAL 30 0.595 -9.175 -2.423 253 3HG2 VAL 30 HG22 VAL 30 -1.055 -8.573 -2.454 254 H ALA 31 HN ALA 31 0.710 -9.791 2.021 255 HA ALA 31 HA ALA 31 -1.207 -11.255 3.492 256 1HB ALA 31 HB3 ALA 31 1.070 -12.063 3.143 257 2HB ALA 31 HB1 ALA 31 1.702 -10.753 4.141 258 3HB ALA 31 HB2 ALA 31 0.680 -11.999 4.860 259 H ALA 32 HN ALA 32 0.521 -8.234 4.177 260 HA ALA 32 HA ALA 32 -0.092 -7.959 6.897 261 1HB ALA 32 HB1 ALA 32 1.497 -6.557 5.467 262 2HB ALA 32 HB2 ALA 32 0.077 -5.600 5.043 263 3HB ALA 32 HB3 ALA 32 0.585 -5.728 6.728 264 H LEU 33 HN LEU 33 -1.898 -6.679 4.072 265 HA LEU 33 HA LEU 33 -3.994 -5.557 5.634 266 1HB LEU 33 HB2 LEU 33 -4.068 -6.373 2.727 267 2HB LEU 33 HB3 LEU 33 -5.239 -5.340 3.541 268 HG LEU 33 HG LEU 33 -2.358 -4.523 3.550 269 1HD1 LEU 33 HD12 LEU 33 -4.230 -4.212 1.215 270 2HD1 LEU 33 HD13 LEU 33 -2.740 -3.299 1.436 271 3HD1 LEU 33 HD11 LEU 33 -2.680 -5.050 1.238 272 1HD2 LEU 33 HD22 LEU 33 -5.007 -3.098 3.577 273 2HD2 LEU 33 HD23 LEU 33 -3.816 -3.196 4.872 274 3HD2 LEU 33 HD21 LEU 33 -3.458 -2.273 3.413 275 H GLN 34 HN GLN 34 -3.508 -8.769 4.239 276 HA GLN 34 HA GLN 34 -6.128 -9.749 4.625 277 1HB GLN 34 HB2 GLN 34 -3.449 -11.124 4.522 278 2HB GLN 34 HB3 GLN 34 -4.938 -12.025 4.785 279 1HG GLN 34 HG2 GLN 34 -5.787 -11.450 2.662 280 2HG GLN 34 HG3 GLN 34 -4.565 -10.202 2.425 281 1HE2 GLN 34 HE22 GLN 34 -3.355 -12.866 0.336 282 2HE2 GLN 34 HE21 GLN 34 -4.549 -11.615 0.351 283 H GLU 35 HN GLU 35 -3.405 -9.402 6.846 284 HA GLU 35 HA GLU 35 -4.612 -10.825 9.030 285 1HB GLU 35 HB2 GLU 35 -2.437 -8.719 9.131 286 2HB GLU 35 HB3 GLU 35 -2.848 -9.854 10.404 287 1HG GLU 35 HG2 GLU 35 -2.323 -11.492 8.243 288 2HG GLU 35 HG3 GLU 35 -1.153 -10.186 8.066 289 H GLN 36 HN GLN 36 -4.520 -7.431 7.993 290 HA GLN 36 HA GLN 36 -5.593 -6.231 10.294 291 1HB GLN 36 HB2 GLN 36 -5.747 -5.403 7.383 292 2HB GLN 36 HB3 GLN 36 -6.290 -4.389 8.707 293 1HG GLN 36 HG2 GLN 36 -3.817 -4.908 9.572 294 2HG GLN 36 HG3 GLN 36 -3.548 -5.081 7.840 295 1HE2 GLN 36 HE22 GLN 36 -3.254 -1.515 9.251 296 2HE2 GLN 36 HE21 GLN 36 -2.852 -3.029 9.980 297 H GLY 37 HN GLY 37 -7.350 -6.876 7.252 298 1HA GLY 37 HA1 GLY 37 -9.495 -8.299 8.242 299 2HA GLY 37 HA2 GLY 37 -9.910 -6.609 8.504 300 H PHE 38 HN PHE 38 -8.025 -7.823 5.777 301 HA PHE 38 HA PHE 38 -10.284 -7.128 3.994 302 1HB PHE 38 HB2 PHE 38 -7.337 -6.730 3.450 303 2HB PHE 38 HB3 PHE 38 -8.665 -6.300 2.374 304 HD1 PHE 38 HD2 PHE 38 -6.901 -5.469 5.472 305 HD2 PHE 38 HD1 PHE 38 -10.016 -4.335 2.815 306 HE1 PHE 38 HE2 PHE 38 -7.041 -3.304 6.592 307 HE2 PHE 38 HE1 PHE 38 -10.172 -2.158 3.950 308 HZ PHE 38 HZ PHE 38 -8.668 -1.645 5.836 309 H ASP 39 HN ASP 39 -11.092 -8.975 3.315 310 HA ASP 39 HA ASP 39 -9.350 -11.262 2.715 311 1HB ASP 39 HB2 ASP 39 -11.735 -11.095 4.054 312 2HB ASP 39 HB3 ASP 39 -12.251 -11.643 2.471 313 H ASN 40 HN ASN 40 -9.908 -8.830 0.977 314 HA ASN 40 HA ASN 40 -10.339 -10.314 -1.509 315 1HB ASN 40 HB2 ASN 40 -12.333 -8.757 -0.701 316 2HB ASN 40 HB3 ASN 40 -11.324 -7.476 -1.354 317 1HD2 ASN 40 HD22 ASN 40 -12.999 -10.241 -3.856 318 2HD2 ASN 40 HD21 ASN 40 -12.746 -10.603 -2.184 319 H ILE 41 HN ILE 41 -7.900 -10.116 -0.724 320 HA ILE 41 HA ILE 41 -6.698 -7.973 -2.341 321 HB ILE 41 HB ILE 41 -6.463 -8.317 0.569 322 1HG1 ILE 41 HG12 ILE 41 -7.242 -6.295 -0.834 323 2HG1 ILE 41 HG13 ILE 41 -6.199 -5.987 0.550 324 1HG2 ILE 41 HG22 ILE 41 -3.953 -7.994 -1.048 325 2HG2 ILE 41 HG23 ILE 41 -4.102 -7.474 0.625 326 3HG2 ILE 41 HG21 ILE 41 -4.303 -9.175 0.218 327 1HD1 ILE 41 HD12 ILE 41 -4.461 -6.340 -1.601 328 2HD1 ILE 41 HD13 ILE 41 -5.795 -5.376 -2.229 329 3HD1 ILE 41 HD11 ILE 41 -4.903 -4.826 -0.816 330 H ASN 42 HN ASN 42 -5.029 -8.601 -3.527 331 HA ASN 42 HA ASN 42 -3.515 -11.014 -2.927 332 1HB ASN 42 HB2 ASN 42 -3.843 -11.984 -5.184 333 2HB ASN 42 HB3 ASN 42 -5.345 -11.915 -4.280 334 1HD2 ASN 42 HD22 ASN 42 -6.979 -9.840 -6.547 335 2HD2 ASN 42 HD21 ASN 42 -7.014 -10.665 -5.021 336 H GLN 43 HN GLN 43 -1.805 -11.288 -4.827 337 HA GLN 43 HA GLN 43 -0.096 -9.100 -4.734 338 1HB GLN 43 HB2 GLN 43 0.416 -11.554 -5.319 339 2HB GLN 43 HB3 GLN 43 0.005 -11.118 -6.970 340 1HG GLN 43 HG2 GLN 43 1.756 -9.324 -6.842 341 2HG GLN 43 HG3 GLN 43 2.222 -9.989 -5.276 342 1HE2 GLN 43 HE22 GLN 43 2.863 -12.324 -8.587 343 2HE2 GLN 43 HE21 GLN 43 1.464 -11.311 -8.499 344 H SER 44 HN SER 44 -2.286 -10.047 -7.392 345 HA SER 44 HA SER 44 -1.551 -8.019 -9.195 346 1HB SER 44 HB2 SER 44 -4.374 -8.984 -9.235 347 2HB SER 44 HB3 SER 44 -3.211 -8.832 -10.543 348 HG SER 44 HG SER 44 -3.760 -10.973 -8.915 349 H LYS 45 HN LYS 45 -4.062 -8.099 -6.684 350 HA LYS 45 HA LYS 45 -5.230 -5.578 -7.295 351 1HB LYS 45 HB2 LYS 45 -6.093 -7.545 -5.784 352 2HB LYS 45 HB3 LYS 45 -5.213 -6.724 -4.507 353 1HG LYS 45 HG2 LYS 45 -6.794 -5.154 -4.274 354 2HG LYS 45 HG3 LYS 45 -6.959 -4.935 -6.022 355 1HD LYS 45 HD2 LYS 45 -8.510 -6.684 -6.217 356 2HD LYS 45 HD3 LYS 45 -8.071 -7.367 -4.652 357 1HE LYS 45 HE2 LYS 45 -10.188 -6.332 -4.388 358 2HE LYS 45 HE3 LYS 45 -9.004 -5.312 -3.574 359 1HZ LYS 45 HZ3 LYS 45 -9.251 -4.450 -6.242 360 2HZ LYS 45 HZ2 LYS 45 -10.812 -4.595 -5.580 361 3HZ LYS 45 HZ1 LYS 45 -9.652 -3.614 -4.812 362 H VAL 46 HN VAL 46 -2.503 -6.553 -5.323 363 HA VAL 46 HA VAL 46 -2.121 -4.011 -4.039 364 HB VAL 46 HB VAL 46 -0.571 -6.581 -4.085 365 1HG1 VAL 46 HG11 VAL 46 1.115 -4.805 -4.034 366 2HG1 VAL 46 HG12 VAL 46 0.275 -4.057 -2.672 367 3HG1 VAL 46 HG13 VAL 46 1.010 -5.644 -2.493 368 1HG2 VAL 46 HG22 VAL 46 -2.366 -5.109 -2.226 369 2HG2 VAL 46 HG23 VAL 46 -2.236 -6.836 -2.533 370 3HG2 VAL 46 HG21 VAL 46 -1.053 -6.028 -1.507 371 H SER 47 HN SER 47 -0.606 -5.698 -6.802 372 HA SER 47 HA SER 47 1.326 -3.666 -7.299 373 1HB SER 47 HB2 SER 47 1.421 -4.750 -9.618 374 2HB SER 47 HB3 SER 47 1.810 -5.777 -8.243 375 HG SER 47 HG SER 47 0.328 -7.043 -8.984 376 H ARG 48 HN ARG 48 -1.999 -4.169 -8.341 377 HA ARG 48 HA ARG 48 -2.079 -2.099 -10.301 378 1HB ARG 48 HB2 ARG 48 -4.165 -3.635 -8.777 379 2HB ARG 48 HB3 ARG 48 -4.640 -2.198 -9.675 380 1HG ARG 48 HG2 ARG 48 -3.347 -3.357 -11.632 381 2HG ARG 48 HG3 ARG 48 -3.638 -4.814 -10.684 382 1HD ARG 48 HD2 ARG 48 -5.456 -4.655 -12.183 383 2HD ARG 48 HD3 ARG 48 -6.073 -4.136 -10.619 384 HE ARG 48 HE ARG 48 -6.414 -2.030 -11.457 385 1HH1 ARG 48 HH12 ARG 48 -4.406 -3.842 -13.692 386 2HH1 ARG 48 HH11 ARG 48 -4.505 -2.646 -14.958 387 1HH2 ARG 48 HH22 ARG 48 -6.543 -0.450 -13.108 388 2HH2 ARG 48 HH21 ARG 48 -5.718 -0.721 -14.624 389 H MET 49 HN MET 49 -3.009 -2.224 -6.871 390 HA MET 49 HA MET 49 -3.793 0.453 -6.589 391 1HB MET 49 HB2 MET 49 -2.852 -1.621 -4.662 392 2HB MET 49 HB3 MET 49 -3.187 0.019 -4.132 393 1HG MET 49 HG2 MET 49 -4.986 -2.086 -4.447 394 2HG MET 49 HG3 MET 49 -5.330 -0.433 -3.996 395 1HE MET 49 HE2 MET 49 -6.431 1.285 -5.388 396 2HE MET 49 HE3 MET 49 -7.565 0.773 -6.636 397 3HE MET 49 HE1 MET 49 -7.662 0.083 -5.017 398 H LEU 50 HN LEU 50 -0.603 -1.085 -6.294 399 HA LEU 50 HA LEU 50 0.820 1.123 -5.259 400 1HB LEU 50 HB2 LEU 50 1.583 -1.360 -6.752 401 2HB LEU 50 HB3 LEU 50 2.774 -0.079 -6.614 402 HG LEU 50 HG LEU 50 1.426 -0.951 -4.123 403 1HD1 LEU 50 HD13 LEU 50 1.934 -3.094 -5.190 404 2HD1 LEU 50 HD11 LEU 50 3.596 -2.572 -5.441 405 3HD1 LEU 50 HD12 LEU 50 2.980 -2.807 -3.807 406 1HD2 LEU 50 HD22 LEU 50 4.084 0.130 -4.897 407 2HD2 LEU 50 HD23 LEU 50 2.917 0.726 -3.712 408 3HD2 LEU 50 HD21 LEU 50 3.873 -0.712 -3.363 409 H THR 51 HN THR 51 0.147 0.123 -8.600 410 HA THR 51 HA THR 51 1.588 2.268 -9.829 411 HB THR 51 HB THR 51 -0.673 0.662 -11.058 412 HG1 THR 51 HG1 THR 51 0.728 -0.863 -10.289 413 1HG2 THR 51 HG22 THR 51 1.598 2.240 -12.189 414 2HG2 THR 51 HG21 THR 51 0.940 0.862 -13.069 415 3HG2 THR 51 HG23 THR 51 -0.103 2.221 -12.656 416 H LYS 52 HN LYS 52 -1.859 1.681 -9.155 417 HA LYS 52 HA LYS 52 -2.938 3.998 -10.262 418 1HB LYS 52 HB2 LYS 52 -4.165 1.944 -9.443 419 2HB LYS 52 HB3 LYS 52 -3.990 2.566 -7.808 420 1HG LYS 52 HG2 LYS 52 -5.098 4.659 -9.343 421 2HG LYS 52 HG3 LYS 52 -5.956 3.185 -9.797 422 1HD LYS 52 HD2 LYS 52 -6.194 2.741 -7.290 423 2HD LYS 52 HD3 LYS 52 -5.675 4.412 -7.056 424 1HE LYS 52 HE2 LYS 52 -8.111 4.234 -7.048 425 2HE LYS 52 HE3 LYS 52 -7.544 5.195 -8.412 426 1HZ LYS 52 HZ2 LYS 52 -7.843 2.375 -8.974 427 2HZ LYS 52 HZ1 LYS 52 -9.301 3.165 -8.595 428 3HZ LYS 52 HZ3 LYS 52 -8.336 3.728 -9.881 429 H PHE 53 HN PHE 53 -1.812 3.460 -6.927 430 HA PHE 53 HA PHE 53 -2.425 6.183 -6.148 431 1HB PHE 53 HB2 PHE 53 -1.127 3.884 -4.664 432 2HB PHE 53 HB3 PHE 53 -1.423 5.463 -3.949 433 HD1 PHE 53 HD1 PHE 53 -4.060 6.226 -4.713 434 HD2 PHE 53 HD2 PHE 53 -2.576 2.329 -3.858 435 HE1 PHE 53 HE1 PHE 53 -6.332 5.484 -4.113 436 HE2 PHE 53 HE2 PHE 53 -4.827 1.591 -3.259 437 HZ PHE 53 HZ PHE 53 -6.711 3.155 -3.396 438 H GLY 54 HN GLY 54 0.038 4.961 -7.949 439 1HA GLY 54 HA1 GLY 54 2.053 5.823 -8.622 440 2HA GLY 54 HA2 GLY 54 1.605 7.301 -7.792 441 H ALA 55 HN ALA 55 2.196 4.049 -6.456 442 HA ALA 55 HA ALA 55 3.813 5.068 -4.334 443 1HB ALA 55 HB3 ALA 55 3.370 2.239 -5.275 444 2HB ALA 55 HB1 ALA 55 4.175 2.696 -3.768 445 3HB ALA 55 HB2 ALA 55 2.469 3.086 -4.014 446 H VAL 56 HN VAL 56 6.013 4.860 -3.978 447 HA VAL 56 HA VAL 56 7.678 4.182 -6.326 448 HB VAL 56 HB VAL 56 9.175 6.037 -5.735 449 1HG1 VAL 56 HG13 VAL 56 6.992 6.236 -7.192 450 2HG1 VAL 56 HG11 VAL 56 6.486 7.317 -5.891 451 3HG1 VAL 56 HG12 VAL 56 7.953 7.663 -6.804 452 1HG2 VAL 56 HG23 VAL 56 8.657 6.142 -3.309 453 2HG2 VAL 56 HG21 VAL 56 8.573 7.714 -4.102 454 3HG2 VAL 56 HG22 VAL 56 7.089 6.848 -3.706 455 H ARG 57 HN ARG 57 9.758 3.360 -5.911 456 HA ARG 57 HA ARG 57 10.048 2.002 -3.327 457 1HB ARG 57 HB2 ARG 57 11.638 1.764 -5.900 458 2HB ARG 57 HB3 ARG 57 11.945 0.831 -4.441 459 1HG ARG 57 HG2 ARG 57 9.663 -0.117 -4.624 460 2HG ARG 57 HG3 ARG 57 9.473 0.732 -6.161 461 1HD ARG 57 HD2 ARG 57 10.111 -1.546 -6.588 462 2HD ARG 57 HD3 ARG 57 11.432 -0.471 -7.038 463 HE ARG 57 HE ARG 57 11.458 -1.804 -4.402 464 1HH1 ARG 57 HH12 ARG 57 12.894 -1.411 -7.588 465 2HH1 ARG 57 HH11 ARG 57 14.337 -2.293 -7.175 466 1HH2 ARG 57 HH22 ARG 57 13.358 -2.949 -3.876 467 2HH2 ARG 57 HH21 ARG 57 14.598 -3.162 -5.075 468 H THR 58 HN THR 58 11.039 3.137 -1.779 469 HA THR 58 HA THR 58 13.405 4.750 -2.460 470 HB THR 58 HB THR 58 12.352 6.488 -0.751 471 HG1 THR 58 HG1 THR 58 10.347 4.811 -1.009 472 1HG2 THR 58 HG22 THR 58 12.877 6.899 -3.170 473 2HG2 THR 58 HG21 THR 58 11.214 6.439 -3.527 474 3HG2 THR 58 HG23 THR 58 11.542 7.837 -2.500 475 H ARG 59 HN ARG 59 14.438 5.639 -0.416 476 HA ARG 59 HA ARG 59 14.901 3.428 1.398 477 1HB ARG 59 HB2 ARG 59 16.315 5.849 0.588 478 2HB ARG 59 HB3 ARG 59 16.310 5.675 2.335 479 1HG ARG 59 HG2 ARG 59 17.096 3.261 1.877 480 2HG ARG 59 HG3 ARG 59 17.485 3.868 0.265 481 1HD ARG 59 HD2 ARG 59 18.811 5.692 1.379 482 2HD ARG 59 HD3 ARG 59 18.572 4.848 2.911 483 HE ARG 59 HE ARG 59 19.641 3.074 0.971 484 1HH1 ARG 59 HH12 ARG 59 20.523 5.810 2.956 485 2HH1 ARG 59 HH11 ARG 59 22.209 5.382 3.042 486 1HH2 ARG 59 HH22 ARG 59 21.866 2.489 1.073 487 2HH2 ARG 59 HH21 ARG 59 22.973 3.483 1.985 488 H ASN 60 HN ASN 60 14.196 3.276 3.480 489 HA ASN 60 HA ASN 60 12.242 5.225 4.404 490 1HB ASN 60 HB2 ASN 60 11.625 3.622 6.083 491 2HB ASN 60 HB3 ASN 60 11.804 2.770 4.557 492 1HD2 ASN 60 HD22 ASN 60 13.355 0.737 7.204 493 2HD2 ASN 60 HD21 ASN 60 11.783 1.373 6.872 494 H ALA 61 HN ALA 61 12.768 4.639 7.244 495 HA ALA 61 HA ALA 61 14.553 6.812 7.770 496 1HB ALA 61 HB3 ALA 61 13.109 4.909 9.607 497 2HB ALA 61 HB1 ALA 61 14.108 6.251 10.169 498 3HB ALA 61 HB2 ALA 61 12.668 6.568 9.203 499 H LYS 62 HN LYS 62 14.924 3.340 7.641 500 HA LYS 62 HA LYS 62 17.695 3.623 8.609 501 1HB LYS 62 HB2 LYS 62 15.888 1.237 9.044 502 2HB LYS 62 HB3 LYS 62 17.586 1.342 9.494 503 1HG LYS 62 HG2 LYS 62 15.485 3.214 10.573 504 2HG LYS 62 HG3 LYS 62 15.912 1.692 11.353 505 1HD LYS 62 HD2 LYS 62 17.862 2.495 12.155 506 2HD LYS 62 HD3 LYS 62 18.210 3.409 10.691 507 1HE LYS 62 HE2 LYS 62 17.878 4.848 12.670 508 2HE LYS 62 HE3 LYS 62 16.726 5.182 11.379 509 1HZ LYS 62 HZ2 LYS 62 16.066 3.348 13.607 510 2HZ LYS 62 HZ1 LYS 62 15.842 5.033 13.748 511 3HZ LYS 62 HZ3 LYS 62 15.001 4.159 12.552 512 H MET 63 HN MET 63 17.438 4.033 6.074 513 HA MET 63 HA MET 63 17.881 3.375 3.951 514 1HB MET 63 HB2 MET 63 20.053 2.139 3.778 515 2HB MET 63 HB3 MET 63 20.085 3.582 4.782 516 1HG MET 63 HG2 MET 63 20.044 2.228 6.788 517 2HG MET 63 HG3 MET 63 19.870 0.762 5.827 518 1HE MET 63 HE2 MET 63 21.825 3.472 7.208 519 2HE MET 63 HE3 MET 63 23.510 2.971 7.080 520 3HE MET 63 HE1 MET 63 22.765 3.894 5.777 521 H GLU 64 HN GLU 64 15.731 1.895 4.388 522 HA GLU 64 HA GLU 64 16.452 -0.731 3.237 523 1HB GLU 64 HB2 GLU 64 13.919 -0.013 4.745 524 2HB GLU 64 HB3 GLU 64 14.269 -1.568 4.013 525 1HG GLU 64 HG2 GLU 64 16.365 -1.512 5.569 526 2HG GLU 64 HG3 GLU 64 15.420 -0.328 6.469 527 H MET 65 HN MET 65 15.863 -1.045 1.170 528 HA MET 65 HA MET 65 14.478 0.991 -0.315 529 1HB MET 65 HB2 MET 65 15.617 -1.717 -0.989 530 2HB MET 65 HB3 MET 65 14.572 -0.894 -2.137 531 1HG MET 65 HG2 MET 65 16.852 0.631 -1.018 532 2HG MET 65 HG3 MET 65 17.200 -0.638 -2.183 533 1HE MET 65 HE3 MET 65 15.917 2.732 -1.399 534 2HE MET 65 HE1 MET 65 17.305 3.005 -2.455 535 3HE MET 65 HE2 MET 65 15.696 3.509 -2.968 536 H VAL 66 HN VAL 66 12.390 1.211 0.430 537 HA VAL 66 HA VAL 66 10.617 -1.111 0.074 538 HB VAL 66 HB VAL 66 9.294 -0.368 2.043 539 1HG1 VAL 66 HG12 VAL 66 11.380 -2.011 2.016 540 2HG1 VAL 66 HG13 VAL 66 12.035 -0.790 3.106 541 3HG1 VAL 66 HG11 VAL 66 10.524 -1.608 3.511 542 1HG2 VAL 66 HG22 VAL 66 11.515 1.642 2.294 543 2HG2 VAL 66 HG23 VAL 66 9.770 1.907 2.325 544 3HG2 VAL 66 HG21 VAL 66 10.567 1.120 3.688 545 H TYR 67 HN TYR 67 8.342 -0.577 -0.079 546 HA TYR 67 HA TYR 67 7.873 1.443 -2.050 547 1HB TYR 67 HB2 TYR 67 6.163 -0.612 -0.668 548 2HB TYR 67 HB3 TYR 67 5.416 0.643 -1.637 549 HD1 TYR 67 HD2 TYR 67 7.204 0.875 -3.936 550 HD2 TYR 67 HD1 TYR 67 5.816 -2.574 -1.866 551 HE1 TYR 67 HE2 TYR 67 7.463 -0.439 -5.986 552 HE2 TYR 67 HE1 TYR 67 6.053 -3.910 -3.914 553 HH TYR 67 HH TYR 67 6.913 -2.416 -6.997 554 H CYS 68 HN CYS 68 7.298 3.464 -1.700 555 HA CYS 68 HA CYS 68 5.799 4.185 0.723 556 1HB CYS 68 HB2 CYS 68 8.250 4.805 0.943 557 2HB CYS 68 HB3 CYS 68 8.021 5.918 -0.391 558 HG CYS 68 HG CYS 68 7.592 6.661 2.366 559 H LEU 69 HN LEU 69 4.949 6.514 0.433 560 HA LEU 69 HA LEU 69 3.896 6.740 -2.316 561 1HB LEU 69 HB2 LEU 69 2.456 6.250 -0.058 562 2HB LEU 69 HB3 LEU 69 2.366 8.000 -0.128 563 HG LEU 69 HG LEU 69 1.421 7.849 -2.397 564 1HD1 LEU 69 HD13 LEU 69 2.354 5.155 -2.220 565 2HD1 LEU 69 HD11 LEU 69 0.612 5.149 -2.486 566 3HD1 LEU 69 HD12 LEU 69 1.669 6.007 -3.603 567 1HD2 LEU 69 HD21 LEU 69 0.138 7.512 -0.063 568 2HD2 LEU 69 HD22 LEU 69 -0.680 7.588 -1.626 569 3HD2 LEU 69 HD23 LEU 69 -0.328 6.023 -0.886 570 HA PRO 70 HA PRO 70 5.670 10.885 -2.519 571 1HB PRO 70 HB2 PRO 70 3.434 11.480 -4.366 572 2HB PRO 70 HB3 PRO 70 5.175 11.552 -4.647 573 1HG PRO 70 HG2 PRO 70 3.671 9.638 -5.734 574 2HG PRO 70 HG3 PRO 70 5.305 9.282 -5.132 575 1HD PRO 70 HD2 PRO 70 2.648 8.769 -3.822 576 2HD PRO 70 HD3 PRO 70 4.052 7.696 -3.978 577 H ALA 71 HN ALA 71 3.634 12.921 -3.316 578 HA ALA 71 HA ALA 71 2.854 13.869 -0.720 579 1HB ALA 71 HB2 ALA 71 3.403 15.361 -2.635 580 2HB ALA 71 HB3 ALA 71 1.915 14.843 -3.425 581 3HB ALA 71 HB1 ALA 71 1.845 15.724 -1.900 582 H GLU 72 HN GLU 72 0.237 14.849 -1.195 583 HA GLU 72 HA GLU 72 -1.331 12.564 -0.489 584 1HB GLU 72 HB2 GLU 72 -2.013 15.450 -1.034 585 2HB GLU 72 HB3 GLU 72 -3.265 14.256 -0.717 586 1HG GLU 72 HG2 GLU 72 -2.540 13.887 1.471 587 2HG GLU 72 HG3 GLU 72 -0.975 14.640 1.176 588 H LEU 73 HN LEU 73 -0.948 11.222 -2.354 589 HA LEU 73 HA LEU 73 -2.418 11.968 -4.788 590 1HB LEU 73 HB2 LEU 73 0.170 11.068 -4.521 591 2HB LEU 73 HB3 LEU 73 -0.681 9.592 -4.923 592 HG LEU 73 HG LEU 73 -0.774 12.132 -6.556 593 1HD1 LEU 73 HD13 LEU 73 0.795 9.594 -6.978 594 2HD1 LEU 73 HD11 LEU 73 0.635 10.905 -8.148 595 3HD1 LEU 73 HD12 LEU 73 1.448 11.192 -6.611 596 1HD2 LEU 73 HD22 LEU 73 -2.008 9.419 -6.869 597 2HD2 LEU 73 HD23 LEU 73 -2.745 11.012 -7.053 598 3HD2 LEU 73 HD21 LEU 73 -1.632 10.407 -8.279 599 H GLY 74 HN GLY 74 -4.422 11.300 -4.557 600 1HA GLY 74 HA1 GLY 74 -4.925 8.445 -3.941 601 2HA GLY 74 HA2 GLY 74 -5.967 9.723 -3.327 602 H VAL 75 HN VAL 75 -6.490 11.348 -5.276 603 HA VAL 75 HA VAL 75 -6.883 10.108 -7.831 604 HB VAL 75 HB VAL 75 -8.772 9.115 -6.592 605 1HG1 VAL 75 HG22 VAL 75 -9.000 11.154 -5.061 606 2HG1 VAL 75 HG23 VAL 75 -9.988 11.843 -6.348 607 3HG1 VAL 75 HG21 VAL 75 -10.473 10.335 -5.573 608 1HG2 VAL 75 HG13 VAL 75 -8.951 9.612 -9.013 609 2HG2 VAL 75 HG11 VAL 75 -10.499 9.597 -8.175 610 3HG2 VAL 75 HG12 VAL 75 -9.751 11.130 -8.608 611 HA PRO 76 HA PRO 76 -6.375 14.430 -8.790 612 1HB PRO 76 HB2 PRO 76 -7.729 13.867 -11.372 613 2HB PRO 76 HB3 PRO 76 -6.110 14.505 -11.058 614 1HG PRO 76 HG2 PRO 76 -6.484 12.002 -11.921 615 2HG PRO 76 HG3 PRO 76 -5.193 12.405 -10.777 616 1HD PRO 76 HD2 PRO 76 -7.832 11.089 -10.276 617 2HD PRO 76 HD3 PRO 76 -6.242 10.752 -9.562 618 H THR 77 HN THR 77 -9.523 12.977 -8.850 619 HA THR 77 HA THR 77 -10.751 15.596 -8.383 620 HB THR 77 HB THR 77 -11.079 15.419 -10.735 621 HG1 THR 77 HG1 THR 77 -12.993 16.029 -9.884 622 1HG2 THR 77 HG22 THR 77 -12.016 12.571 -10.400 623 2HG2 THR 77 HG21 THR 77 -12.121 13.519 -11.881 624 3HG2 THR 77 HG23 THR 77 -10.544 13.114 -11.208 625 H THR 78 HN THR 78 -11.859 15.452 -6.579 626 HA THR 78 HA THR 78 -13.929 13.625 -6.104 627 HB THR 78 HB THR 78 -12.115 12.010 -5.642 628 HG1 THR 78 HG1 THR 78 -14.117 12.011 -4.410 629 1HG2 THR 78 HG21 THR 78 -10.378 13.549 -4.847 630 2HG2 THR 78 HG23 THR 78 -11.297 13.799 -3.366 631 3HG2 THR 78 HG22 THR 78 -10.655 12.203 -3.742 No H/Q in entry = 631 Start of MODEL 12 1 1H MET 1 HT2 MET 1 -13.375 4.409 12.802 2 2H MET 1 HT1 MET 1 -14.177 5.665 13.656 3 3H MET 1 HT3 MET 1 -13.280 4.476 14.518 4 HA MET 1 HA MET 1 -14.804 2.853 14.149 5 1HB MET 1 HB2 MET 1 -16.281 5.488 14.455 6 2HB MET 1 HB3 MET 1 -16.973 3.915 14.820 7 1HG MET 1 HG2 MET 1 -14.620 5.182 16.207 8 2HG MET 1 HG3 MET 1 -16.258 5.047 16.841 9 1HE MET 1 HE2 MET 1 -17.190 3.199 18.042 10 2HE MET 1 HE3 MET 1 -16.212 1.907 18.739 11 3HE MET 1 HE1 MET 1 -15.827 3.591 19.090 12 H ARG 2 HN ARG 2 -17.248 2.606 13.235 13 HA ARG 2 HA ARG 2 -18.567 2.200 11.442 14 1HB ARG 2 HB2 ARG 2 -17.535 4.889 10.906 15 2HB ARG 2 HB3 ARG 2 -17.991 4.038 9.442 16 1HG ARG 2 HG2 ARG 2 -19.795 4.350 11.832 17 2HG ARG 2 HG3 ARG 2 -19.787 5.438 10.441 18 1HD ARG 2 HD2 ARG 2 -20.091 3.253 9.056 19 2HD ARG 2 HD3 ARG 2 -20.621 2.558 10.589 20 HE ARG 2 HE ARG 2 -22.035 4.941 10.193 21 1HH1 ARG 2 HH12 ARG 2 -21.750 1.765 8.739 22 2HH1 ARG 2 HH11 ARG 2 -23.388 1.754 8.131 23 1HH2 ARG 2 HH22 ARG 2 -24.169 4.940 9.396 24 2HH2 ARG 2 HH21 ARG 2 -24.759 3.562 8.517 25 H SER 3 HN SER 3 -17.595 0.215 10.985 26 HA SER 3 HA SER 3 -15.507 0.135 8.917 27 1HB SER 3 HB2 SER 3 -16.727 -2.091 10.583 28 2HB SER 3 HB3 SER 3 -15.425 -2.292 9.410 29 HG SER 3 HG SER 3 -14.034 -1.308 10.719 30 H SER 4 HN SER 4 -16.679 0.763 7.105 31 HA SER 4 HA SER 4 -19.227 -0.190 6.411 32 1HB SER 4 HB2 SER 4 -17.237 0.825 4.386 33 2HB SER 4 HB3 SER 4 -18.985 1.055 4.432 34 HG SER 4 HG SER 4 -17.342 2.808 5.156 35 H ALA 5 HN ALA 5 -19.832 -1.519 4.725 36 HA ALA 5 HA ALA 5 -18.299 -3.939 4.394 37 1HB ALA 5 HB2 ALA 5 -20.927 -3.074 3.192 38 2HB ALA 5 HB3 ALA 5 -20.191 -4.659 2.955 39 3HB ALA 5 HB1 ALA 5 -20.683 -4.149 4.570 40 H LYS 6 HN LYS 6 -19.000 -1.051 2.517 41 HA LYS 6 HA LYS 6 -17.998 -1.883 0.005 42 1HB LYS 6 HB2 LYS 6 -18.366 0.807 1.308 43 2HB LYS 6 HB3 LYS 6 -17.565 0.673 -0.251 44 1HG LYS 6 HG2 LYS 6 -20.261 -0.538 0.200 45 2HG LYS 6 HG3 LYS 6 -20.066 1.160 -0.215 46 1HD LYS 6 HD2 LYS 6 -18.908 0.568 -2.265 47 2HD LYS 6 HD3 LYS 6 -18.988 -1.143 -1.843 48 1HE LYS 6 HE2 LYS 6 -20.693 -0.468 -3.500 49 2HE LYS 6 HE3 LYS 6 -21.386 -1.134 -2.022 50 1HZ LYS 6 HZ3 LYS 6 -21.049 1.786 -2.406 51 2HZ LYS 6 HZ2 LYS 6 -22.431 0.963 -2.970 52 3HZ LYS 6 HZ1 LYS 6 -22.065 0.972 -1.306 53 H GLN 7 HN GLN 7 -15.936 -1.819 -0.869 54 HA GLN 7 HA GLN 7 -13.796 -1.959 1.025 55 1HB GLN 7 HB2 GLN 7 -14.119 -2.547 -1.872 56 2HB GLN 7 HB3 GLN 7 -12.483 -2.311 -1.267 57 1HG GLN 7 HG2 GLN 7 -13.164 -3.951 0.587 58 2HG GLN 7 HG3 GLN 7 -14.499 -4.380 -0.480 59 1HE2 GLN 7 HE22 GLN 7 -11.491 -6.583 -1.024 60 2HE2 GLN 7 HE21 GLN 7 -12.302 -6.044 0.408 61 H GLU 8 HN GLU 8 -14.889 0.684 0.808 62 HA GLU 8 HA GLU 8 -12.808 2.328 -0.394 63 1HB GLU 8 HB2 GLU 8 -14.972 3.194 1.533 64 2HB GLU 8 HB3 GLU 8 -14.037 4.214 0.446 65 1HG GLU 8 HG2 GLU 8 -15.137 3.259 -1.476 66 2HG GLU 8 HG3 GLU 8 -15.998 2.108 -0.458 67 H GLU 9 HN GLU 9 -12.687 0.280 2.057 68 HA GLU 9 HA GLU 9 -11.366 2.036 4.033 69 1HB GLU 9 HB2 GLU 9 -12.253 -0.857 4.198 70 2HB GLU 9 HB3 GLU 9 -11.384 -0.016 5.474 71 1HG GLU 9 HG2 GLU 9 -13.960 1.086 4.411 72 2HG GLU 9 HG3 GLU 9 -13.967 -0.222 5.593 73 H LEU 10 HN LEU 10 -10.937 -0.784 2.010 74 HA LEU 10 HA LEU 10 -8.343 -1.567 2.532 75 1HB LEU 10 HB2 LEU 10 -9.975 -2.728 1.103 76 2HB LEU 10 HB3 LEU 10 -9.796 -1.490 -0.122 77 HG LEU 10 HG LEU 10 -7.570 -2.229 -0.632 78 1HD1 LEU 10 HD12 LEU 10 -7.844 -3.769 1.910 79 2HD1 LEU 10 HD13 LEU 10 -6.800 -4.377 0.629 80 3HD1 LEU 10 HD11 LEU 10 -6.499 -2.786 1.330 81 1HD2 LEU 10 HD22 LEU 10 -9.717 -3.563 -1.312 82 2HD2 LEU 10 HD23 LEU 10 -8.125 -4.220 -1.659 83 3HD2 LEU 10 HD21 LEU 10 -9.032 -4.807 -0.269 84 H VAL 11 HN VAL 11 -9.457 1.296 0.910 85 HA VAL 11 HA VAL 11 -6.950 1.927 -0.383 86 HB VAL 11 HB VAL 11 -9.399 3.617 0.183 87 1HG1 VAL 11 HG12 VAL 11 -6.725 4.406 -0.850 88 2HG1 VAL 11 HG13 VAL 11 -8.145 5.079 -1.654 89 3HG1 VAL 11 HG11 VAL 11 -7.909 5.336 0.073 90 1HG2 VAL 11 HG23 VAL 11 -9.402 1.729 -1.567 91 2HG2 VAL 11 HG21 VAL 11 -9.979 3.321 -2.049 92 3HG2 VAL 11 HG22 VAL 11 -8.365 2.796 -2.504 93 H LYS 12 HN LYS 12 -8.615 3.131 2.600 94 HA LYS 12 HA LYS 12 -6.612 4.933 3.426 95 1HB LYS 12 HB2 LYS 12 -8.622 3.343 5.020 96 2HB LYS 12 HB3 LYS 12 -7.490 4.445 5.790 97 1HG LYS 12 HG2 LYS 12 -9.093 5.965 5.535 98 2HG LYS 12 HG3 LYS 12 -8.561 6.035 3.852 99 1HD LYS 12 HD2 LYS 12 -10.196 4.115 3.458 100 2HD LYS 12 HD3 LYS 12 -10.876 4.525 5.030 101 1HE LYS 12 HE2 LYS 12 -10.577 6.466 2.738 102 2HE LYS 12 HE3 LYS 12 -12.059 5.588 3.112 103 1HZ LYS 12 HZ2 LYS 12 -11.938 6.643 5.374 104 2HZ LYS 12 HZ1 LYS 12 -10.699 7.647 4.768 105 3HZ LYS 12 HZ3 LYS 12 -12.263 7.712 4.088 106 H ALA 13 HN ALA 13 -7.005 1.490 3.978 107 HA ALA 13 HA ALA 13 -4.813 1.074 5.715 108 1HB ALA 13 HB2 ALA 13 -6.156 -0.817 3.778 109 2HB ALA 13 HB3 ALA 13 -5.004 -1.294 5.022 110 3HB ALA 13 HB1 ALA 13 -6.553 -0.590 5.481 111 H PHE 14 HN PHE 14 -5.101 0.645 2.177 112 HA PHE 14 HA PHE 14 -2.518 -0.138 1.609 113 1HB PHE 14 HB2 PHE 14 -4.532 0.015 0.029 114 2HB PHE 14 HB3 PHE 14 -4.070 1.686 -0.240 115 HD1 PHE 14 HD1 PHE 14 -3.017 -1.838 -0.586 116 HD2 PHE 14 HD2 PHE 14 -2.166 2.218 -1.584 117 HE1 PHE 14 HE1 PHE 14 -1.358 -2.589 -2.238 118 HE2 PHE 14 HE2 PHE 14 -0.514 1.462 -3.238 119 HZ PHE 14 HZ PHE 14 -0.107 -0.937 -3.553 120 H LYS 15 HN LYS 15 -3.717 3.257 1.533 121 HA LYS 15 HA LYS 15 -1.308 4.493 0.906 122 1HB LYS 15 HB2 LYS 15 -3.373 5.660 2.814 123 2HB LYS 15 HB3 LYS 15 -2.265 6.547 1.775 124 1HG LYS 15 HG2 LYS 15 -4.467 4.798 0.730 125 2HG LYS 15 HG3 LYS 15 -4.662 6.511 1.052 126 1HD LYS 15 HD2 LYS 15 -2.317 6.184 -0.509 127 2HD LYS 15 HD3 LYS 15 -3.568 5.175 -1.234 128 1HE LYS 15 HE2 LYS 15 -3.464 7.508 -2.155 129 2HE LYS 15 HE3 LYS 15 -5.036 7.044 -1.499 130 1HZ LYS 15 HZ2 LYS 15 -3.086 8.540 0.153 131 2HZ LYS 15 HZ1 LYS 15 -4.129 9.335 -0.923 132 3HZ LYS 15 HZ3 LYS 15 -4.771 8.405 0.347 133 H ALA 16 HN ALA 16 -2.639 3.784 4.127 134 HA ALA 16 HA ALA 16 -0.584 4.937 5.643 135 1HB ALA 16 HB3 ALA 16 -2.753 4.419 6.603 136 2HB ALA 16 HB1 ALA 16 -2.461 2.693 6.398 137 3HB ALA 16 HB2 ALA 16 -1.478 3.629 7.526 138 H LEU 17 HN LEU 17 -1.047 1.543 4.629 139 HA LEU 17 HA LEU 17 1.127 0.357 5.895 140 1HB LEU 17 HB2 LEU 17 -0.137 -0.232 3.213 141 2HB LEU 17 HB3 LEU 17 1.109 -1.244 3.904 142 HG LEU 17 HG LEU 17 -1.736 -0.940 4.696 143 1HD1 LEU 17 HD13 LEU 17 0.174 -3.219 4.358 144 2HD1 LEU 17 HD11 LEU 17 -1.454 -3.406 5.013 145 3HD1 LEU 17 HD12 LEU 17 -1.226 -2.813 3.368 146 1HD2 LEU 17 HD23 LEU 17 0.470 -1.648 6.618 147 2HD2 LEU 17 HD21 LEU 17 -0.758 -0.393 6.793 148 3HD2 LEU 17 HD22 LEU 17 -1.215 -2.093 6.862 149 H LEU 18 HN LEU 18 1.017 1.915 2.705 150 HA LEU 18 HA LEU 18 3.762 1.442 2.065 151 1HB LEU 18 HB2 LEU 18 1.814 3.499 1.020 152 2HB LEU 18 HB3 LEU 18 3.396 3.199 0.330 153 HG LEU 18 HG LEU 18 1.203 1.138 0.482 154 1HD1 LEU 18 HD13 LEU 18 1.705 3.336 -1.370 155 2HD1 LEU 18 HD11 LEU 18 1.547 1.765 -2.153 156 3HD1 LEU 18 HD12 LEU 18 0.253 2.373 -1.119 157 1HD2 LEU 18 HD23 LEU 18 3.940 1.192 -0.700 158 2HD2 LEU 18 HD21 LEU 18 3.204 -0.040 0.324 159 3HD2 LEU 18 HD22 LEU 18 2.697 0.135 -1.357 160 H LYS 19 HN LYS 19 2.064 4.402 3.062 161 HA LYS 19 HA LYS 19 4.305 6.042 3.207 162 1HB LYS 19 HB2 LYS 19 1.646 6.269 4.625 163 2HB LYS 19 HB3 LYS 19 2.851 7.553 4.564 164 1HG LYS 19 HG2 LYS 19 2.667 7.700 2.176 165 2HG LYS 19 HG3 LYS 19 1.601 6.290 2.120 166 1HD LYS 19 HD2 LYS 19 0.179 8.164 1.918 167 2HD LYS 19 HD3 LYS 19 0.013 7.634 3.594 168 1HE LYS 19 HE2 LYS 19 0.216 10.060 3.477 169 2HE LYS 19 HE3 LYS 19 1.605 9.351 4.300 170 1HZ LYS 19 HZ1 LYS 19 1.808 9.861 1.418 171 2HZ LYS 19 HZ3 LYS 19 1.921 11.178 2.482 172 3HZ LYS 19 HZ2 LYS 19 3.016 9.879 2.610 173 H GLU 20 HN GLU 20 3.466 3.543 5.374 174 HA GLU 20 HA GLU 20 4.677 4.684 7.735 175 1HB GLU 20 HB2 GLU 20 3.523 2.018 7.009 176 2HB GLU 20 HB3 GLU 20 4.590 2.117 8.400 177 1HG GLU 20 HG2 GLU 20 2.193 3.904 8.072 178 2HG GLU 20 HG3 GLU 20 2.105 2.319 8.837 179 H GLU 21 HN GLU 21 5.899 3.212 4.901 180 HA GLU 21 HA GLU 21 7.958 2.565 4.212 181 1HB GLU 21 HB2 GLU 21 9.002 3.959 6.692 182 2HB GLU 21 HB3 GLU 21 9.905 3.585 5.231 183 1HG GLU 21 HG2 GLU 21 8.542 5.137 3.951 184 2HG GLU 21 HG3 GLU 21 7.564 5.483 5.376 185 H LYS 22 HN LYS 22 7.171 0.375 4.717 186 HA LYS 22 HA LYS 22 8.910 -0.975 6.668 187 1HB LYS 22 HB2 LYS 22 6.852 -0.647 7.884 188 2HB LYS 22 HB3 LYS 22 5.887 -1.188 6.521 189 1HG LYS 22 HG2 LYS 22 6.872 -3.469 6.819 190 2HG LYS 22 HG3 LYS 22 7.678 -2.877 8.268 191 1HD LYS 22 HD2 LYS 22 5.118 -2.092 8.737 192 2HD LYS 22 HD3 LYS 22 4.859 -3.567 7.811 193 1HE LYS 22 HE2 LYS 22 4.990 -4.509 9.869 194 2HE LYS 22 HE3 LYS 22 6.709 -4.488 9.483 195 1HZ LYS 22 HZ2 LYS 22 6.898 -2.373 10.701 196 2HZ LYS 22 HZ1 LYS 22 5.243 -2.469 11.109 197 3HZ LYS 22 HZ3 LYS 22 6.334 -3.640 11.691 198 H PHE 23 HN PHE 23 6.380 -1.559 4.254 199 HA PHE 23 HA PHE 23 7.324 -4.170 3.618 200 1HB PHE 23 HB2 PHE 23 5.323 -2.487 2.102 201 2HB PHE 23 HB3 PHE 23 5.471 -4.252 2.092 202 HD1 PHE 23 HD1 PHE 23 5.304 -5.401 4.407 203 HD2 PHE 23 HD2 PHE 23 3.817 -1.497 3.609 204 HE1 PHE 23 HE1 PHE 23 3.844 -5.565 6.371 205 HE2 PHE 23 HE2 PHE 23 2.351 -1.660 5.576 206 HZ PHE 23 HZ PHE 23 2.354 -3.698 6.956 207 H SER 24 HN SER 24 8.617 -4.860 2.074 208 HA SER 24 HA SER 24 9.803 -2.904 0.241 209 1HB SER 24 HB2 SER 24 10.854 -5.024 1.830 210 2HB SER 24 HB3 SER 24 11.183 -5.410 0.146 211 HG SER 24 HG SER 24 12.762 -4.040 1.332 212 H SER 25 HN SER 25 7.501 -5.370 0.110 213 HA SER 25 HA SER 25 7.647 -5.367 -2.801 214 1HB SER 25 HB2 SER 25 7.520 -7.832 -2.960 215 2HB SER 25 HB3 SER 25 9.016 -7.306 -2.197 216 HG SER 25 HG SER 25 8.383 -8.112 -0.313 217 H GLN 26 HN GLN 26 5.792 -6.262 -3.836 218 HA GLN 26 HA GLN 26 3.314 -5.348 -2.864 219 1HB GLN 26 HB2 GLN 26 3.487 -7.582 -4.861 220 2HB GLN 26 HB3 GLN 26 2.428 -6.209 -4.815 221 1HG GLN 26 HG2 GLN 26 4.301 -4.741 -5.445 222 2HG GLN 26 HG3 GLN 26 5.328 -6.168 -5.568 223 1HE2 GLN 26 HE22 GLN 26 3.691 -5.101 -8.861 224 2HE2 GLN 26 HE21 GLN 26 4.319 -4.130 -7.574 225 H GLY 27 HN GLY 27 4.469 -8.672 -3.299 226 1HA GLY 27 HA1 GLY 27 2.445 -10.090 -2.073 227 2HA GLY 27 HA2 GLY 27 4.110 -10.630 -2.133 228 H GLU 28 HN GLU 28 4.845 -8.174 -0.430 229 HA GLU 28 HA GLU 28 4.498 -9.462 2.135 230 1HB GLU 28 HB2 GLU 28 6.550 -8.098 1.291 231 2HB GLU 28 HB3 GLU 28 5.619 -6.691 1.779 232 1HG GLU 28 HG2 GLU 28 5.468 -7.596 4.058 233 2HG GLU 28 HG3 GLU 28 6.427 -8.986 3.558 234 H ILE 29 HN ILE 29 3.521 -6.304 0.723 235 HA ILE 29 HA ILE 29 1.824 -5.606 2.897 236 HB ILE 29 HB ILE 29 2.046 -3.640 1.949 237 1HG1 ILE 29 HG12 ILE 29 0.211 -4.586 -0.254 238 2HG1 ILE 29 HG13 ILE 29 -0.297 -3.914 1.296 239 1HG2 ILE 29 HG23 ILE 29 2.766 -4.981 -0.639 240 2HG2 ILE 29 HG21 ILE 29 2.874 -3.253 -0.341 241 3HG2 ILE 29 HG22 ILE 29 3.874 -4.365 0.588 242 1HD1 ILE 29 HD13 ILE 29 1.395 -1.981 0.344 243 2HD1 ILE 29 HD11 ILE 29 0.618 -2.569 -1.127 244 3HD1 ILE 29 HD12 ILE 29 -0.362 -1.968 0.214 245 H VAL 30 HN VAL 30 1.392 -7.771 0.279 246 HA VAL 30 HA VAL 30 -1.431 -7.852 0.040 247 HB VAL 30 HB VAL 30 0.713 -9.941 -0.378 248 1HG1 VAL 30 HG13 VAL 30 -2.247 -10.334 -0.493 249 2HG1 VAL 30 HG11 VAL 30 -1.158 -11.276 -1.497 250 3HG1 VAL 30 HG12 VAL 30 -1.013 -11.345 0.253 251 1HG2 VAL 30 HG23 VAL 30 0.336 -8.034 -2.011 252 2HG2 VAL 30 HG21 VAL 30 0.326 -9.660 -2.676 253 3HG2 VAL 30 HG22 VAL 30 -1.189 -8.811 -2.405 254 H ALA 31 HN ALA 31 0.842 -9.472 2.243 255 HA ALA 31 HA ALA 31 -1.199 -10.910 3.683 256 1HB ALA 31 HB2 ALA 31 1.051 -11.822 3.527 257 2HB ALA 31 HB3 ALA 31 1.699 -10.414 4.371 258 3HB ALA 31 HB1 ALA 31 0.619 -11.532 5.213 259 H ALA 32 HN ALA 32 0.613 -7.902 4.143 260 HA ALA 32 HA ALA 32 -0.015 -7.284 6.770 261 1HB ALA 32 HB2 ALA 32 1.557 -5.999 5.431 262 2HB ALA 32 HB3 ALA 32 0.232 -5.360 4.464 263 3HB ALA 32 HB1 ALA 32 0.351 -4.944 6.172 264 H LEU 33 HN LEU 33 -1.975 -6.630 3.859 265 HA LEU 33 HA LEU 33 -4.057 -5.300 5.295 266 1HB LEU 33 HB2 LEU 33 -4.215 -6.570 2.559 267 2HB LEU 33 HB3 LEU 33 -5.346 -5.404 3.235 268 HG LEU 33 HG LEU 33 -2.448 -4.673 2.936 269 1HD1 LEU 33 HD13 LEU 33 -3.106 -5.511 0.750 270 2HD1 LEU 33 HD11 LEU 33 -4.524 -4.466 0.769 271 3HD1 LEU 33 HD12 LEU 33 -2.913 -3.757 0.726 272 1HD2 LEU 33 HD22 LEU 33 -5.046 -3.173 3.097 273 2HD2 LEU 33 HD23 LEU 33 -3.664 -3.098 4.186 274 3HD2 LEU 33 HD21 LEU 33 -3.546 -2.418 2.567 275 H GLN 34 HN GLN 34 -3.406 -8.679 4.558 276 HA GLN 34 HA GLN 34 -6.015 -9.671 5.162 277 1HB GLN 34 HB2 GLN 34 -3.321 -11.042 5.219 278 2HB GLN 34 HB3 GLN 34 -4.848 -11.862 5.504 279 1HG GLN 34 HG2 GLN 34 -5.592 -11.482 3.304 280 2HG GLN 34 HG3 GLN 34 -4.310 -10.317 2.988 281 1HE2 GLN 34 HE22 GLN 34 -2.487 -12.818 1.436 282 2HE2 GLN 34 HE21 GLN 34 -3.153 -11.221 1.403 283 H GLU 35 HN GLU 35 -3.192 -8.857 7.067 284 HA GLU 35 HA GLU 35 -4.166 -9.908 9.554 285 1HB GLU 35 HB2 GLU 35 -1.974 -7.915 8.926 286 2HB GLU 35 HB3 GLU 35 -2.319 -8.513 10.541 287 1HG GLU 35 HG2 GLU 35 -1.812 -10.508 8.386 288 2HG GLU 35 HG3 GLU 35 -0.446 -9.583 9.010 289 H GLN 36 HN GLN 36 -4.293 -6.788 7.908 290 HA GLN 36 HA GLN 36 -5.184 -5.142 9.979 291 1HB GLN 36 HB2 GLN 36 -5.554 -5.039 6.991 292 2HB GLN 36 HB3 GLN 36 -6.244 -3.818 8.035 293 1HG GLN 36 HG2 GLN 36 -3.514 -4.138 8.750 294 2HG GLN 36 HG3 GLN 36 -3.616 -3.965 7.000 295 1HE2 GLN 36 HE22 GLN 36 -3.635 -0.709 9.085 296 2HE2 GLN 36 HE21 GLN 36 -2.871 -2.220 9.430 297 H GLY 37 HN GLY 37 -7.204 -6.670 7.446 298 1HA GLY 37 HA1 GLY 37 -9.215 -7.688 9.010 299 2HA GLY 37 HA2 GLY 37 -9.647 -5.993 8.815 300 H PHE 38 HN PHE 38 -7.975 -7.606 6.227 301 HA PHE 38 HA PHE 38 -10.489 -7.642 4.666 302 1HB PHE 38 HB2 PHE 38 -7.676 -7.210 3.621 303 2HB PHE 38 HB3 PHE 38 -9.176 -7.081 2.702 304 HD1 PHE 38 HD1 PHE 38 -10.762 -5.228 3.185 305 HD2 PHE 38 HD2 PHE 38 -6.930 -5.416 5.004 306 HE1 PHE 38 HE1 PHE 38 -10.936 -2.856 3.839 307 HE2 PHE 38 HE2 PHE 38 -7.090 -3.078 5.655 308 HZ PHE 38 HZ PHE 38 -9.085 -1.786 5.071 309 H ASP 39 HN ASP 39 -10.500 -9.186 2.825 310 HA ASP 39 HA ASP 39 -8.847 -11.515 3.018 311 1HB ASP 39 HB2 ASP 39 -10.651 -11.873 4.739 312 2HB ASP 39 HB3 ASP 39 -11.811 -11.842 3.424 313 H ASN 40 HN ASN 40 -8.651 -12.439 1.162 314 HA ASN 40 HA ASN 40 -9.091 -13.194 -1.000 315 1HB ASN 40 HB2 ASN 40 -11.594 -12.588 -0.595 316 2HB ASN 40 HB3 ASN 40 -11.204 -11.079 -1.412 317 1HD2 ASN 40 HD22 ASN 40 -11.047 -14.565 -3.568 318 2HD2 ASN 40 HD21 ASN 40 -10.663 -14.571 -1.883 319 H ILE 41 HN ILE 41 -7.307 -11.260 0.068 320 HA ILE 41 HA ILE 41 -6.969 -9.290 -2.081 321 HB ILE 41 HB ILE 41 -6.058 -9.482 0.760 322 1HG1 ILE 41 HG12 ILE 41 -6.861 -7.273 0.939 323 2HG1 ILE 41 HG13 ILE 41 -6.768 -7.004 -0.796 324 1HG2 ILE 41 HG23 ILE 41 -4.402 -8.263 -1.409 325 2HG2 ILE 41 HG21 ILE 41 -4.479 -7.487 0.171 326 3HG2 ILE 41 HG22 ILE 41 -3.917 -9.145 0.036 327 1HD1 ILE 41 HD12 ILE 41 -8.691 -8.900 0.503 328 2HD1 ILE 41 HD13 ILE 41 -9.066 -7.230 0.082 329 3HD1 ILE 41 HD11 ILE 41 -8.660 -8.390 -1.186 330 H ASN 42 HN ASN 42 -5.490 -9.591 -3.616 331 HA ASN 42 HA ASN 42 -3.337 -11.567 -3.185 332 1HB ASN 42 HB2 ASN 42 -3.675 -12.487 -5.394 333 2HB ASN 42 HB3 ASN 42 -5.180 -12.563 -4.497 334 1HD2 ASN 42 HD22 ASN 42 -6.066 -11.498 -7.868 335 2HD2 ASN 42 HD21 ASN 42 -5.396 -12.895 -7.090 336 H GLN 43 HN GLN 43 -1.913 -11.505 -5.371 337 HA GLN 43 HA GLN 43 -0.296 -9.252 -5.147 338 1HB GLN 43 HB2 GLN 43 0.093 -11.673 -6.154 339 2HB GLN 43 HB3 GLN 43 -0.260 -10.866 -7.673 340 1HG GLN 43 HG2 GLN 43 1.968 -10.565 -7.668 341 2HG GLN 43 HG3 GLN 43 1.539 -9.145 -6.719 342 1HE2 GLN 43 HE22 GLN 43 3.970 -11.865 -5.178 343 2HE2 GLN 43 HE21 GLN 43 3.556 -11.735 -6.851 344 H SER 44 HN SER 44 -2.463 -10.071 -7.891 345 HA SER 44 HA SER 44 -1.969 -7.835 -9.451 346 1HB SER 44 HB2 SER 44 -4.745 -8.959 -9.420 347 2HB SER 44 HB3 SER 44 -3.702 -8.568 -10.783 348 HG SER 44 HG SER 44 -4.112 -10.899 -10.216 349 H LYS 45 HN LYS 45 -4.253 -8.224 -6.802 350 HA LYS 45 HA LYS 45 -5.622 -5.757 -7.070 351 1HB LYS 45 HB2 LYS 45 -6.664 -7.384 -5.726 352 2HB LYS 45 HB3 LYS 45 -5.200 -7.718 -4.820 353 1HG LYS 45 HG2 LYS 45 -6.470 -5.040 -4.575 354 2HG LYS 45 HG3 LYS 45 -7.185 -6.420 -3.749 355 1HD LYS 45 HD2 LYS 45 -5.400 -6.701 -2.329 356 2HD LYS 45 HD3 LYS 45 -4.246 -6.002 -3.444 357 1HE LYS 45 HE2 LYS 45 -6.119 -4.627 -1.564 358 2HE LYS 45 HE3 LYS 45 -4.386 -4.403 -1.767 359 1HZ LYS 45 HZ1 LYS 45 -5.141 -3.608 -4.134 360 2HZ LYS 45 HZ3 LYS 45 -6.606 -3.280 -3.330 361 3HZ LYS 45 HZ2 LYS 45 -5.163 -2.551 -2.811 362 H VAL 46 HN VAL 46 -2.545 -6.619 -5.648 363 HA VAL 46 HA VAL 46 -2.208 -4.120 -4.207 364 HB VAL 46 HB VAL 46 -0.483 -6.559 -4.531 365 1HG1 VAL 46 HG13 VAL 46 0.263 -3.983 -3.147 366 2HG1 VAL 46 HG11 VAL 46 1.128 -5.511 -2.999 367 3HG1 VAL 46 HG12 VAL 46 1.061 -4.692 -4.550 368 1HG2 VAL 46 HG21 VAL 46 -2.112 -5.294 -2.365 369 2HG2 VAL 46 HG22 VAL 46 -2.050 -6.974 -2.890 370 3HG2 VAL 46 HG23 VAL 46 -0.729 -6.299 -1.940 371 H SER 47 HN SER 47 -0.627 -5.704 -7.019 372 HA SER 47 HA SER 47 1.108 -3.627 -7.691 373 1HB SER 47 HB2 SER 47 0.942 -4.621 -10.062 374 2HB SER 47 HB3 SER 47 1.489 -5.690 -8.773 375 HG SER 47 HG SER 47 -0.026 -6.900 -9.666 376 H ARG 48 HN ARG 48 -2.285 -4.102 -8.566 377 HA ARG 48 HA ARG 48 -2.498 -1.978 -10.424 378 1HB ARG 48 HB2 ARG 48 -4.473 -3.512 -8.764 379 2HB ARG 48 HB3 ARG 48 -5.009 -2.060 -9.599 380 1HG ARG 48 HG2 ARG 48 -3.994 -3.137 -11.705 381 2HG ARG 48 HG3 ARG 48 -4.004 -4.631 -10.766 382 1HD ARG 48 HD2 ARG 48 -6.384 -2.891 -11.391 383 2HD ARG 48 HD3 ARG 48 -6.019 -4.454 -12.109 384 HE ARG 48 HE ARG 48 -7.061 -3.931 -9.425 385 1HH1 ARG 48 HH12 ARG 48 -5.816 -6.298 -11.713 386 2HH1 ARG 48 HH11 ARG 48 -6.482 -7.660 -10.851 387 1HH2 ARG 48 HH22 ARG 48 -7.912 -5.729 -8.290 388 2HH2 ARG 48 HH21 ARG 48 -7.659 -7.336 -8.911 389 H MET 49 HN MET 49 -2.816 -2.074 -6.894 390 HA MET 49 HA MET 49 -3.724 0.645 -6.675 391 1HB MET 49 HB2 MET 49 -2.918 -1.473 -4.724 392 2HB MET 49 HB3 MET 49 -2.961 0.199 -4.185 393 1HG MET 49 HG2 MET 49 -5.333 0.218 -5.219 394 2HG MET 49 HG3 MET 49 -5.209 -1.535 -5.099 395 1HE MET 49 HE1 MET 49 -7.456 -0.296 -3.996 396 2HE MET 49 HE2 MET 49 -7.589 -0.308 -2.237 397 3HE MET 49 HE3 MET 49 -7.038 1.142 -3.067 398 H LEU 50 HN LEU 50 -0.576 -0.962 -6.557 399 HA LEU 50 HA LEU 50 0.905 1.244 -5.548 400 1HB LEU 50 HB2 LEU 50 1.599 -1.287 -6.982 401 2HB LEU 50 HB3 LEU 50 2.806 -0.015 -6.935 402 HG LEU 50 HG LEU 50 1.753 -0.388 -4.285 403 1HD1 LEU 50 HD12 LEU 50 1.557 -2.778 -5.614 404 2HD1 LEU 50 HD13 LEU 50 3.141 -2.877 -4.854 405 3HD1 LEU 50 HD11 LEU 50 1.713 -2.564 -3.876 406 1HD2 LEU 50 HD23 LEU 50 4.285 -0.081 -5.586 407 2HD2 LEU 50 HD21 LEU 50 3.835 0.220 -3.912 408 3HD2 LEU 50 HD22 LEU 50 4.364 -1.383 -4.408 409 H THR 51 HN THR 51 0.076 0.241 -8.853 410 HA THR 51 HA THR 51 1.488 2.450 -10.058 411 HB THR 51 HB THR 51 -0.536 0.577 -11.311 412 HG1 THR 51 HG1 THR 51 2.131 0.277 -10.593 413 1HG2 THR 51 HG23 THR 51 -0.041 2.567 -12.684 414 2HG2 THR 51 HG22 THR 51 1.673 2.160 -12.613 415 3HG2 THR 51 HG21 THR 51 0.535 1.069 -13.409 416 H LYS 52 HN LYS 52 -1.854 1.757 -9.116 417 HA LYS 52 HA LYS 52 -3.081 3.974 -10.383 418 1HB LYS 52 HB2 LYS 52 -4.384 2.071 -9.621 419 2HB LYS 52 HB3 LYS 52 -3.909 2.362 -7.957 420 1HG LYS 52 HG2 LYS 52 -5.233 4.652 -9.206 421 2HG LYS 52 HG3 LYS 52 -6.233 3.200 -9.133 422 1HD LYS 52 HD2 LYS 52 -5.492 3.061 -6.666 423 2HD LYS 52 HD3 LYS 52 -4.987 4.738 -6.871 424 1HE LYS 52 HE2 LYS 52 -7.756 3.583 -7.089 425 2HE LYS 52 HE3 LYS 52 -7.171 4.823 -5.980 426 1HZ LYS 52 HZ3 LYS 52 -6.767 6.226 -8.015 427 2HZ LYS 52 HZ2 LYS 52 -7.666 5.079 -8.895 428 3HZ LYS 52 HZ1 LYS 52 -8.403 5.943 -7.620 429 H PHE 53 HN PHE 53 -1.874 3.538 -7.048 430 HA PHE 53 HA PHE 53 -2.471 6.286 -6.353 431 1HB PHE 53 HB2 PHE 53 -1.190 3.988 -4.859 432 2HB PHE 53 HB3 PHE 53 -1.227 5.615 -4.192 433 HD1 PHE 53 HD2 PHE 53 -3.786 6.679 -4.619 434 HD2 PHE 53 HD1 PHE 53 -2.742 2.611 -3.921 435 HE1 PHE 53 HE2 PHE 53 -6.049 6.246 -3.757 436 HE2 PHE 53 HE1 PHE 53 -4.995 2.178 -3.059 437 HZ PHE 53 HZ PHE 53 -6.655 3.990 -2.987 438 H GLY 54 HN GLY 54 0.294 4.507 -7.520 439 1HA GLY 54 HA1 GLY 54 2.234 5.399 -8.450 440 2HA GLY 54 HA2 GLY 54 1.779 6.983 -7.846 441 H ALA 55 HN ALA 55 2.740 3.789 -6.585 442 HA ALA 55 HA ALA 55 3.954 4.956 -4.227 443 1HB ALA 55 HB1 ALA 55 2.802 2.797 -4.095 444 2HB ALA 55 HB2 ALA 55 3.986 2.103 -5.205 445 3HB ALA 55 HB3 ALA 55 4.491 2.664 -3.608 446 H VAL 56 HN VAL 56 6.158 4.887 -3.702 447 HA VAL 56 HA VAL 56 8.037 4.417 -5.930 448 HB VAL 56 HB VAL 56 9.289 6.404 -5.397 449 1HG1 VAL 56 HG11 VAL 56 7.187 6.497 -6.856 450 2HG1 VAL 56 HG12 VAL 56 6.437 7.332 -5.492 451 3HG1 VAL 56 HG13 VAL 56 7.856 8.025 -6.279 452 1HG2 VAL 56 HG21 VAL 56 7.409 6.618 -3.070 453 2HG2 VAL 56 HG22 VAL 56 9.164 6.788 -3.116 454 3HG2 VAL 56 HG23 VAL 56 8.136 8.069 -3.754 455 H ARG 57 HN ARG 57 10.005 3.552 -5.379 456 HA ARG 57 HA ARG 57 10.195 2.337 -2.750 457 1HB ARG 57 HB2 ARG 57 12.064 2.167 -5.130 458 2HB ARG 57 HB3 ARG 57 12.171 1.200 -3.666 459 1HG ARG 57 HG2 ARG 57 10.173 0.040 -4.151 460 2HG ARG 57 HG3 ARG 57 9.755 1.159 -5.447 461 1HD ARG 57 HD2 ARG 57 10.631 -1.050 -6.216 462 2HD ARG 57 HD3 ARG 57 11.508 0.344 -6.837 463 HE ARG 57 HE ARG 57 13.239 -0.114 -5.149 464 1HH1 ARG 57 HH12 ARG 57 11.056 -2.742 -6.003 465 2HH1 ARG 57 HH11 ARG 57 12.176 -3.983 -5.524 466 1HH2 ARG 57 HH22 ARG 57 14.691 -1.745 -4.533 467 2HH2 ARG 57 HH21 ARG 57 14.239 -3.418 -4.682 468 H THR 58 HN THR 58 11.604 2.937 -1.125 469 HA THR 58 HA THR 58 13.628 4.991 -1.651 470 HB THR 58 HB THR 58 11.398 6.141 -1.220 471 HG1 THR 58 HG1 THR 58 12.336 7.713 0.036 472 1HG2 THR 58 HG22 THR 58 10.663 4.566 0.600 473 2HG2 THR 58 HG21 THR 58 11.808 5.395 1.658 474 3HG2 THR 58 HG23 THR 58 10.470 6.288 0.929 475 H ARG 59 HN ARG 59 14.851 5.537 0.402 476 HA ARG 59 HA ARG 59 15.615 3.069 1.678 477 1HB ARG 59 HB2 ARG 59 17.528 4.266 1.400 478 2HB ARG 59 HB3 ARG 59 16.722 5.823 1.547 479 1HG ARG 59 HG2 ARG 59 16.913 5.844 3.854 480 2HG ARG 59 HG3 ARG 59 17.097 4.093 3.958 481 1HD ARG 59 HD2 ARG 59 19.204 5.193 4.435 482 2HD ARG 59 HD3 ARG 59 19.318 4.249 2.954 483 HE ARG 59 HE ARG 59 19.114 7.198 3.113 484 1HH1 ARG 59 HH12 ARG 59 20.036 4.302 1.342 485 2HH1 ARG 59 HH11 ARG 59 20.818 5.187 0.064 486 1HH2 ARG 59 HH22 ARG 59 20.154 8.344 1.447 487 2HH2 ARG 59 HH21 ARG 59 20.890 7.480 0.125 488 H ASN 60 HN ASN 60 15.044 2.334 3.566 489 HA ASN 60 HA ASN 60 12.968 3.555 5.124 490 1HB ASN 60 HB2 ASN 60 13.300 1.076 4.577 491 2HB ASN 60 HB3 ASN 60 14.562 1.107 5.785 492 1HD2 ASN 60 HD22 ASN 60 11.873 -0.217 7.657 493 2HD2 ASN 60 HD21 ASN 60 13.099 -0.661 6.527 494 H ALA 61 HN ALA 61 13.526 2.928 7.722 495 HA ALA 61 HA ALA 61 15.279 5.008 8.568 496 1HB ALA 61 HB1 ALA 61 13.236 4.148 9.783 497 2HB ALA 61 HB2 ALA 61 14.239 2.795 10.318 498 3HB ALA 61 HB3 ALA 61 14.666 4.446 10.767 499 H LYS 62 HN LYS 62 15.785 1.703 7.774 500 HA LYS 62 HA LYS 62 18.551 1.836 8.780 501 1HB LYS 62 HB2 LYS 62 16.649 -0.507 8.937 502 2HB LYS 62 HB3 LYS 62 18.392 -0.690 9.080 503 1HG LYS 62 HG2 LYS 62 16.897 1.211 10.853 504 2HG LYS 62 HG3 LYS 62 16.983 -0.510 11.229 505 1HD LYS 62 HD2 LYS 62 19.046 -0.285 12.053 506 2HD LYS 62 HD3 LYS 62 19.605 0.464 10.557 507 1HE LYS 62 HE2 LYS 62 19.957 1.909 12.517 508 2HE LYS 62 HE3 LYS 62 18.891 2.638 11.318 509 1HZ LYS 62 HZ3 LYS 62 17.395 1.159 13.245 510 2HZ LYS 62 HZ2 LYS 62 18.387 2.319 14.006 511 3HZ LYS 62 HZ1 LYS 62 17.276 2.804 12.811 512 H MET 63 HN MET 63 18.031 2.701 6.300 513 HA MET 63 HA MET 63 18.659 2.547 4.134 514 1HB MET 63 HB2 MET 63 20.349 0.174 4.915 515 2HB MET 63 HB3 MET 63 20.682 1.410 3.717 516 1HG MET 63 HG2 MET 63 20.694 3.033 5.722 517 2HG MET 63 HG3 MET 63 20.894 1.565 6.674 518 1HE MET 63 HE2 MET 63 22.733 -0.113 6.418 519 2HE MET 63 HE3 MET 63 22.865 -0.254 4.666 520 3HE MET 63 HE1 MET 63 24.284 0.165 5.622 521 H GLU 64 HN GLU 64 16.463 0.402 5.086 522 HA GLU 64 HA GLU 64 16.742 -1.610 3.026 523 1HB GLU 64 HB2 GLU 64 14.413 -0.929 4.839 524 2HB GLU 64 HB3 GLU 64 14.418 -2.266 3.703 525 1HG GLU 64 HG2 GLU 64 16.763 -2.498 5.275 526 2HG GLU 64 HG3 GLU 64 15.432 -2.158 6.374 527 H MET 65 HN MET 65 15.955 -1.562 0.984 528 HA MET 65 HA MET 65 14.802 0.899 -0.039 529 1HB MET 65 HB2 MET 65 15.496 -1.725 -1.394 530 2HB MET 65 HB3 MET 65 14.917 -0.298 -2.236 531 1HG MET 65 HG2 MET 65 17.318 0.018 -0.524 532 2HG MET 65 HG3 MET 65 17.492 -0.889 -2.024 533 1HE MET 65 HE1 MET 65 16.691 2.135 -0.192 534 2HE MET 65 HE2 MET 65 17.868 3.132 -1.037 535 3HE MET 65 HE3 MET 65 16.150 3.335 -1.358 536 H VAL 66 HN VAL 66 12.830 0.738 1.287 537 HA VAL 66 HA VAL 66 10.924 -1.331 0.500 538 HB VAL 66 HB VAL 66 9.517 -0.508 2.382 539 1HG1 VAL 66 HG13 VAL 66 12.359 -1.251 3.082 540 2HG1 VAL 66 HG11 VAL 66 10.986 -1.321 4.185 541 3HG1 VAL 66 HG12 VAL 66 11.024 -2.360 2.755 542 1HG2 VAL 66 HG22 VAL 66 11.815 1.411 2.748 543 2HG2 VAL 66 HG23 VAL 66 10.093 1.769 2.608 544 3HG2 VAL 66 HG21 VAL 66 10.713 0.982 4.057 545 H TYR 67 HN TYR 67 8.599 -0.609 0.443 546 HA TYR 67 HA TYR 67 8.275 1.400 -1.612 547 1HB TYR 67 HB2 TYR 67 6.506 -0.691 -0.375 548 2HB TYR 67 HB3 TYR 67 5.774 0.644 -1.246 549 HD1 TYR 67 HD1 TYR 67 7.608 1.004 -3.519 550 HD2 TYR 67 HD2 TYR 67 6.080 -2.534 -1.712 551 HE1 TYR 67 HE1 TYR 67 7.858 -0.179 -5.646 552 HE2 TYR 67 HE2 TYR 67 6.312 -3.739 -3.838 553 HH TYR 67 HH TYR 67 8.164 -2.946 -6.201 554 H CYS 68 HN CYS 68 7.258 3.319 -1.421 555 HA CYS 68 HA CYS 68 5.829 4.050 1.017 556 1HB CYS 68 HB2 CYS 68 8.259 4.729 1.312 557 2HB CYS 68 HB3 CYS 68 8.048 5.834 -0.038 558 HG CYS 68 HG CYS 68 6.838 7.414 1.433 559 H LEU 69 HN LEU 69 4.980 6.393 0.664 560 HA LEU 69 HA LEU 69 4.040 6.626 -2.125 561 1HB LEU 69 HB2 LEU 69 2.468 5.869 -0.085 562 2HB LEU 69 HB3 LEU 69 2.326 7.606 0.097 563 HG LEU 69 HG LEU 69 1.457 7.816 -2.160 564 1HD1 LEU 69 HD11 LEU 69 2.482 5.098 -2.396 565 2HD1 LEU 69 HD12 LEU 69 0.830 5.262 -2.990 566 3HD1 LEU 69 HD13 LEU 69 2.105 6.280 -3.647 567 1HD2 LEU 69 HD23 LEU 69 0.099 5.703 -0.498 568 2HD2 LEU 69 HD21 LEU 69 -0.144 7.448 -0.408 569 3HD2 LEU 69 HD22 LEU 69 -0.647 6.560 -1.845 570 HA PRO 70 HA PRO 70 5.589 10.842 -2.027 571 1HB PRO 70 HB2 PRO 70 3.411 11.397 -3.974 572 2HB PRO 70 HB3 PRO 70 5.155 11.638 -4.130 573 1HG PRO 70 HG2 PRO 70 3.923 9.658 -5.428 574 2HG PRO 70 HG3 PRO 70 5.535 9.422 -4.720 575 1HD PRO 70 HD2 PRO 70 2.859 8.555 -3.680 576 2HD PRO 70 HD3 PRO 70 4.395 7.666 -3.730 577 H ALA 71 HN ALA 71 4.066 13.088 -2.516 578 HA ALA 71 HA ALA 71 2.702 13.463 -0.016 579 1HB ALA 71 HB1 ALA 71 4.156 15.151 -1.219 580 2HB ALA 71 HB2 ALA 71 2.779 15.433 -2.278 581 3HB ALA 71 HB3 ALA 71 2.634 15.743 -0.545 582 H GLU 72 HN GLU 72 1.227 11.619 -0.927 583 HA GLU 72 HA GLU 72 -0.805 10.847 -1.578 584 1HB GLU 72 HB2 GLU 72 -1.593 13.603 -0.617 585 2HB GLU 72 HB3 GLU 72 -2.726 12.290 -0.903 586 1HG GLU 72 HG2 GLU 72 -0.431 11.825 0.948 587 2HG GLU 72 HG3 GLU 72 -1.784 12.806 1.501 588 H LEU 73 HN LEU 73 0.398 11.275 -3.829 589 HA LEU 73 HA LEU 73 -1.171 13.068 -5.540 590 1HB LEU 73 HB2 LEU 73 1.316 13.015 -5.739 591 2HB LEU 73 HB3 LEU 73 1.213 11.345 -6.259 592 HG LEU 73 HG LEU 73 0.067 11.989 -8.289 593 1HD1 LEU 73 HD11 LEU 73 -0.061 14.688 -6.989 594 2HD1 LEU 73 HD12 LEU 73 -0.143 14.515 -8.744 595 3HD1 LEU 73 HD13 LEU 73 -1.357 13.743 -7.724 596 1HD2 LEU 73 HD21 LEU 73 2.598 12.231 -8.049 597 2HD2 LEU 73 HD22 LEU 73 1.822 13.025 -9.421 598 3HD2 LEU 73 HD23 LEU 73 2.299 13.967 -8.010 599 H GLY 74 HN GLY 74 -3.130 11.840 -5.329 600 1HA GLY 74 HA1 GLY 74 -3.661 10.084 -7.439 601 2HA GLY 74 HA2 GLY 74 -3.388 9.107 -6.000 602 H VAL 75 HN VAL 75 -5.804 10.138 -7.764 603 HA VAL 75 HA VAL 75 -8.041 10.360 -7.424 604 HB VAL 75 HB VAL 75 -7.621 10.156 -4.441 605 1HG1 VAL 75 HG23 VAL 75 -9.979 9.912 -6.268 606 2HG1 VAL 75 HG21 VAL 75 -9.962 9.089 -4.713 607 3HG1 VAL 75 HG22 VAL 75 -9.809 10.842 -4.781 608 1HG2 VAL 75 HG13 VAL 75 -7.508 8.062 -6.535 609 2HG2 VAL 75 HG11 VAL 75 -6.703 8.146 -4.967 610 3HG2 VAL 75 HG12 VAL 75 -8.405 7.686 -5.065 611 HA PRO 76 HA PRO 76 -7.594 14.866 -7.205 612 1HB PRO 76 HB2 PRO 76 -10.511 14.816 -7.701 613 2HB PRO 76 HB3 PRO 76 -9.220 15.608 -8.600 614 1HG PRO 76 HG2 PRO 76 -10.504 13.317 -9.413 615 2HG PRO 76 HG3 PRO 76 -8.911 13.844 -9.974 616 1HD PRO 76 HD2 PRO 76 -9.602 11.589 -8.260 617 2HD PRO 76 HD3 PRO 76 -8.067 11.964 -9.063 618 H THR 77 HN THR 77 -7.444 15.844 -5.289 619 HA THR 77 HA THR 77 -8.938 15.091 -2.999 620 HB THR 77 HB THR 77 -6.601 16.118 -3.087 621 HG1 THR 77 HG1 THR 77 -8.417 16.225 -1.219 622 1HG2 THR 77 HG23 THR 77 -7.268 18.122 -4.501 623 2HG2 THR 77 HG22 THR 77 -7.945 18.804 -3.020 624 3HG2 THR 77 HG21 THR 77 -6.223 18.423 -3.111 625 H THR 78 HN THR 78 -10.729 15.918 -2.073 626 HA THR 78 HA THR 78 -11.905 18.432 -2.814 627 HB THR 78 HB THR 78 -12.701 17.203 -4.725 628 HG1 THR 78 HG1 THR 78 -14.299 18.401 -3.273 629 1HG2 THR 78 HG21 THR 78 -12.347 14.911 -3.884 630 2HG2 THR 78 HG23 THR 78 -13.790 15.083 -2.888 631 3HG2 THR 78 HG22 THR 78 -13.919 15.137 -4.645 No H/Q in entry = 631 Start of MODEL 13 1 1H MET 1 HT1 MET 1 -31.692 -3.819 2.953 2 2H MET 1 HT3 MET 1 -32.526 -3.496 1.483 3 3H MET 1 HT2 MET 1 -30.915 -4.102 1.441 4 HA MET 1 HA MET 1 -30.809 -1.854 0.956 5 1HB MET 1 HB2 MET 1 -31.754 -0.176 2.585 6 2HB MET 1 HB3 MET 1 -32.952 -1.116 1.713 7 1HG MET 1 HG2 MET 1 -32.196 -2.266 4.306 8 2HG MET 1 HG3 MET 1 -32.937 -0.673 4.403 9 1HE MET 1 HE1 MET 1 -34.906 -0.140 2.699 10 2HE MET 1 HE2 MET 1 -36.355 -1.145 2.726 11 3HE MET 1 HE3 MET 1 -35.764 -0.413 4.220 12 H ARG 2 HN ARG 2 -28.689 -2.721 1.340 13 HA ARG 2 HA ARG 2 -27.554 -1.899 3.943 14 1HB ARG 2 HB2 ARG 2 -26.676 -4.230 2.216 15 2HB ARG 2 HB3 ARG 2 -25.846 -3.679 3.662 16 1HG ARG 2 HG2 ARG 2 -28.723 -4.449 3.870 17 2HG ARG 2 HG3 ARG 2 -27.505 -5.713 3.724 18 1HD ARG 2 HD2 ARG 2 -27.859 -5.386 6.040 19 2HD ARG 2 HD3 ARG 2 -26.302 -4.650 5.659 20 HE ARG 2 HE ARG 2 -28.437 -2.750 5.524 21 1HH1 ARG 2 HH12 ARG 2 -26.357 -4.455 7.762 22 2HH1 ARG 2 HH11 ARG 2 -26.468 -3.235 8.996 23 1HH2 ARG 2 HH22 ARG 2 -28.585 -1.133 7.151 24 2HH2 ARG 2 HH21 ARG 2 -27.727 -1.354 8.652 25 H SER 3 HN SER 3 -27.179 0.160 3.019 26 HA SER 3 HA SER 3 -25.545 0.463 0.677 27 1HB SER 3 HB2 SER 3 -25.635 2.940 2.036 28 2HB SER 3 HB3 SER 3 -26.622 2.426 0.673 29 HG SER 3 HG SER 3 -28.225 2.627 2.009 30 H SER 4 HN SER 4 -24.919 0.246 4.102 31 HA SER 4 HA SER 4 -22.306 1.487 3.970 32 1HB SER 4 HB2 SER 4 -23.580 -0.128 6.196 33 2HB SER 4 HB3 SER 4 -22.088 0.801 6.321 34 HG SER 4 HG SER 4 -24.644 1.900 5.673 35 H ALA 5 HN ALA 5 -21.224 0.269 2.390 36 HA ALA 5 HA ALA 5 -20.807 -2.589 2.748 37 1HB ALA 5 HB3 ALA 5 -19.953 -0.597 0.670 38 2HB ALA 5 HB1 ALA 5 -19.220 -2.199 0.745 39 3HB ALA 5 HB2 ALA 5 -20.958 -2.034 0.491 40 H LYS 6 HN LYS 6 -19.039 0.429 3.181 41 HA LYS 6 HA LYS 6 -17.173 1.010 4.264 42 1HB LYS 6 HB2 LYS 6 -18.451 -0.787 5.890 43 2HB LYS 6 HB3 LYS 6 -16.846 -1.488 5.777 44 1HG LYS 6 HG2 LYS 6 -16.206 1.091 6.225 45 2HG LYS 6 HG3 LYS 6 -17.759 1.013 7.048 46 1HD LYS 6 HD2 LYS 6 -16.999 -0.776 8.463 47 2HD LYS 6 HD3 LYS 6 -15.491 -0.908 7.556 48 1HE LYS 6 HE2 LYS 6 -15.599 0.409 9.847 49 2HE LYS 6 HE3 LYS 6 -14.577 0.958 8.521 50 1HZ LYS 6 HZ3 LYS 6 -17.343 1.981 8.844 51 2HZ LYS 6 HZ2 LYS 6 -16.039 2.674 9.689 52 3HZ LYS 6 HZ1 LYS 6 -16.044 2.670 7.984 53 H GLN 7 HN GLN 7 -16.904 -0.595 1.764 54 HA GLN 7 HA GLN 7 -14.401 -2.038 2.107 55 1HB GLN 7 HB2 GLN 7 -16.285 -2.608 0.407 56 2HB GLN 7 HB3 GLN 7 -15.590 -1.314 -0.560 57 1HG GLN 7 HG2 GLN 7 -14.468 -3.105 -1.419 58 2HG GLN 7 HG3 GLN 7 -13.347 -2.618 -0.149 59 1HE2 GLN 7 HE22 GLN 7 -13.785 -5.521 1.777 60 2HE2 GLN 7 HE21 GLN 7 -13.219 -3.886 1.748 61 H GLU 8 HN GLU 8 -15.363 1.193 1.548 62 HA GLU 8 HA GLU 8 -13.049 2.076 0.082 63 1HB GLU 8 HB2 GLU 8 -14.890 3.771 1.770 64 2HB GLU 8 HB3 GLU 8 -13.882 4.296 0.433 65 1HG GLU 8 HG2 GLU 8 -15.492 3.903 -1.037 66 2HG GLU 8 HG3 GLU 8 -15.705 2.253 -0.463 67 H GLU 9 HN GLU 9 -12.484 0.537 2.425 68 HA GLU 9 HA GLU 9 -11.068 2.432 4.183 69 1HB GLU 9 HB2 GLU 9 -12.098 -0.360 4.704 70 2HB GLU 9 HB3 GLU 9 -10.937 0.434 5.761 71 1HG GLU 9 HG2 GLU 9 -13.626 1.595 5.077 72 2HG GLU 9 HG3 GLU 9 -13.326 0.577 6.485 73 H LEU 10 HN LEU 10 -10.854 -0.397 2.144 74 HA LEU 10 HA LEU 10 -8.276 -1.312 2.605 75 1HB LEU 10 HB2 LEU 10 -9.899 -2.430 1.124 76 2HB LEU 10 HB3 LEU 10 -9.748 -1.124 -0.037 77 HG LEU 10 HG LEU 10 -7.426 -1.740 -0.468 78 1HD1 LEU 10 HD13 LEU 10 -7.907 -3.865 1.611 79 2HD1 LEU 10 HD11 LEU 10 -6.564 -3.888 0.471 80 3HD1 LEU 10 HD12 LEU 10 -6.701 -2.580 1.640 81 1HD2 LEU 10 HD22 LEU 10 -9.561 -2.959 -1.447 82 2HD2 LEU 10 HD23 LEU 10 -7.922 -3.424 -1.896 83 3HD2 LEU 10 HD21 LEU 10 -8.802 -4.350 -0.678 84 H VAL 11 HN VAL 11 -9.356 1.564 0.942 85 HA VAL 11 HA VAL 11 -6.824 2.181 -0.282 86 HB VAL 11 HB VAL 11 -9.171 4.011 0.304 87 1HG1 VAL 11 HG12 VAL 11 -6.525 4.485 -0.962 88 2HG1 VAL 11 HG13 VAL 11 -7.934 5.209 -1.737 89 3HG1 VAL 11 HG11 VAL 11 -7.562 5.586 -0.056 90 1HG2 VAL 11 HG23 VAL 11 -8.398 2.356 -2.075 91 2HG2 VAL 11 HG21 VAL 11 -9.933 2.401 -1.217 92 3HG2 VAL 11 HG22 VAL 11 -9.446 3.761 -2.226 93 H LYS 12 HN LYS 12 -8.443 3.268 2.756 94 HA LYS 12 HA LYS 12 -6.398 5.047 3.574 95 1HB LYS 12 HB2 LYS 12 -8.378 3.454 5.215 96 2HB LYS 12 HB3 LYS 12 -7.248 4.595 5.926 97 1HG LYS 12 HG2 LYS 12 -8.860 6.107 5.668 98 2HG LYS 12 HG3 LYS 12 -8.431 6.091 3.954 99 1HD LYS 12 HD2 LYS 12 -10.057 4.284 3.602 100 2HD LYS 12 HD3 LYS 12 -10.532 4.399 5.294 101 1HE LYS 12 HE2 LYS 12 -10.745 7.007 4.399 102 2HE LYS 12 HE3 LYS 12 -11.291 6.066 3.014 103 1HZ LYS 12 HZ1 LYS 12 -12.518 4.944 5.233 104 2HZ LYS 12 HZ3 LYS 12 -12.647 6.628 5.441 105 3HZ LYS 12 HZ2 LYS 12 -13.248 5.897 4.027 106 H ALA 13 HN ALA 13 -6.910 1.606 4.131 107 HA ALA 13 HA ALA 13 -4.680 1.112 5.787 108 1HB ALA 13 HB1 ALA 13 -6.513 -0.480 5.584 109 2HB ALA 13 HB2 ALA 13 -6.090 -0.775 3.894 110 3HB ALA 13 HB3 ALA 13 -4.975 -1.243 5.179 111 H PHE 14 HN PHE 14 -5.068 0.653 2.257 112 HA PHE 14 HA PHE 14 -2.538 -0.263 1.645 113 1HB PHE 14 HB2 PHE 14 -4.589 0.024 0.096 114 2HB PHE 14 HB3 PHE 14 -3.991 1.647 -0.198 115 HD1 PHE 14 HD2 PHE 14 -3.243 -1.955 -0.549 116 HD2 PHE 14 HD1 PHE 14 -2.092 2.016 -1.579 117 HE1 PHE 14 HE2 PHE 14 -1.691 -2.838 -2.231 118 HE2 PHE 14 HE1 PHE 14 -0.538 1.126 -3.264 119 HZ PHE 14 HZ PHE 14 -0.347 -1.295 -3.580 120 H LYS 15 HN LYS 15 -3.558 3.156 1.297 121 HA LYS 15 HA LYS 15 -1.106 4.278 0.769 122 1HB LYS 15 HB2 LYS 15 -3.249 5.605 2.468 123 2HB LYS 15 HB3 LYS 15 -2.098 6.389 1.391 124 1HG LYS 15 HG2 LYS 15 -4.079 4.444 0.291 125 2HG LYS 15 HG3 LYS 15 -4.581 6.086 0.669 126 1HD LYS 15 HD2 LYS 15 -2.097 5.972 -0.834 127 2HD LYS 15 HD3 LYS 15 -3.415 5.153 -1.662 128 1HE LYS 15 HE2 LYS 15 -3.245 7.551 -2.292 129 2HE LYS 15 HE3 LYS 15 -4.788 7.143 -1.544 130 1HZ LYS 15 HZ2 LYS 15 -3.746 7.970 0.612 131 2HZ LYS 15 HZ1 LYS 15 -2.525 8.654 -0.363 132 3HZ LYS 15 HZ3 LYS 15 -4.135 9.134 -0.560 133 H ALA 16 HN ALA 16 -2.571 3.728 3.983 134 HA ALA 16 HA ALA 16 -0.602 4.981 5.537 135 1HB ALA 16 HB1 ALA 16 -2.809 4.364 6.406 136 2HB ALA 16 HB2 ALA 16 -2.364 2.660 6.326 137 3HB ALA 16 HB3 ALA 16 -1.510 3.743 7.426 138 H LEU 17 HN LEU 17 -0.924 1.521 4.673 139 HA LEU 17 HA LEU 17 1.284 0.486 6.005 140 1HB LEU 17 HB2 LEU 17 0.070 -0.289 3.340 141 2HB LEU 17 HB3 LEU 17 1.330 -1.229 4.105 142 HG LEU 17 HG LEU 17 -1.526 -0.885 4.926 143 1HD1 LEU 17 HD13 LEU 17 -0.939 -2.738 3.474 144 2HD1 LEU 17 HD11 LEU 17 0.276 -3.280 4.630 145 3HD1 LEU 17 HD12 LEU 17 -1.432 -3.313 5.064 146 1HD2 LEU 17 HD23 LEU 17 0.765 -1.616 6.726 147 2HD2 LEU 17 HD21 LEU 17 -0.508 -0.425 6.988 148 3HD2 LEU 17 HD22 LEU 17 -0.887 -2.145 7.039 149 H LEU 18 HN LEU 18 1.134 1.905 2.766 150 HA LEU 18 HA LEU 18 3.887 1.531 2.131 151 1HB LEU 18 HB2 LEU 18 1.940 3.538 1.010 152 2HB LEU 18 HB3 LEU 18 3.467 3.074 0.283 153 HG LEU 18 HG LEU 18 1.308 1.044 0.768 154 1HD1 LEU 18 HD12 LEU 18 1.129 3.322 -0.930 155 2HD1 LEU 18 HD13 LEU 18 1.256 1.870 -1.929 156 3HD1 LEU 18 HD11 LEU 18 -0.016 2.003 -0.715 157 1HD2 LEU 18 HD22 LEU 18 3.583 1.221 -1.199 158 2HD2 LEU 18 HD23 LEU 18 3.505 0.172 0.219 159 3HD2 LEU 18 HD21 LEU 18 2.393 -0.077 -1.124 160 H LYS 19 HN LYS 19 2.094 4.503 3.030 161 HA LYS 19 HA LYS 19 4.248 6.234 3.069 162 1HB LYS 19 HB2 LYS 19 1.688 6.307 4.667 163 2HB LYS 19 HB3 LYS 19 2.850 7.627 4.654 164 1HG LYS 19 HG2 LYS 19 2.536 7.945 2.256 165 2HG LYS 19 HG3 LYS 19 1.460 6.528 2.210 166 1HD LYS 19 HD2 LYS 19 0.004 8.370 2.256 167 2HD LYS 19 HD3 LYS 19 0.011 7.756 3.910 168 1HE LYS 19 HE2 LYS 19 0.379 9.900 4.477 169 2HE LYS 19 HE3 LYS 19 2.047 9.549 4.033 170 1HZ LYS 19 HZ2 LYS 19 1.552 10.385 1.788 171 2HZ LYS 19 HZ1 LYS 19 -0.016 10.800 2.298 172 3HZ LYS 19 HZ3 LYS 19 1.333 11.570 2.988 173 H GLU 20 HN GLU 20 3.464 3.807 5.442 174 HA GLU 20 HA GLU 20 4.911 4.946 7.649 175 1HB GLU 20 HB2 GLU 20 3.742 2.242 7.057 176 2HB GLU 20 HB3 GLU 20 4.843 2.435 8.413 177 1HG GLU 20 HG2 GLU 20 3.346 4.223 9.296 178 2HG GLU 20 HG3 GLU 20 2.211 3.844 8.003 179 H GLU 21 HN GLU 21 5.856 3.283 4.791 180 HA GLU 21 HA GLU 21 7.856 2.664 3.933 181 1HB GLU 21 HB2 GLU 21 9.284 3.959 6.256 182 2HB GLU 21 HB3 GLU 21 9.807 3.810 4.582 183 1HG GLU 21 HG2 GLU 21 7.717 5.309 4.105 184 2HG GLU 21 HG3 GLU 21 7.877 5.733 5.805 185 H LYS 22 HN LYS 22 7.150 0.477 4.501 186 HA LYS 22 HA LYS 22 9.058 -0.848 6.307 187 1HB LYS 22 HB2 LYS 22 7.225 -0.756 7.752 188 2HB LYS 22 HB3 LYS 22 6.058 -0.939 6.453 189 1HG LYS 22 HG2 LYS 22 6.254 -3.234 6.410 190 2HG LYS 22 HG3 LYS 22 7.883 -3.215 7.086 191 1HD LYS 22 HD2 LYS 22 7.085 -2.783 9.267 192 2HD LYS 22 HD3 LYS 22 5.479 -2.352 8.677 193 1HE LYS 22 HE2 LYS 22 5.616 -4.604 9.762 194 2HE LYS 22 HE3 LYS 22 4.991 -4.625 8.114 195 1HZ LYS 22 HZ2 LYS 22 7.871 -5.007 8.446 196 2HZ LYS 22 HZ1 LYS 22 6.858 -6.286 8.941 197 3HZ LYS 22 HZ3 LYS 22 6.796 -5.720 7.335 198 H PHE 23 HN PHE 23 6.321 -1.644 4.153 199 HA PHE 23 HA PHE 23 7.345 -4.187 3.434 200 1HB PHE 23 HB2 PHE 23 5.278 -2.555 1.953 201 2HB PHE 23 HB3 PHE 23 5.454 -4.313 1.954 202 HD1 PHE 23 HD1 PHE 23 5.038 -5.594 4.046 203 HD2 PHE 23 HD2 PHE 23 4.100 -1.456 3.723 204 HE1 PHE 23 HE1 PHE 23 3.610 -5.769 6.036 205 HE2 PHE 23 HE2 PHE 23 2.675 -1.625 5.715 206 HZ PHE 23 HZ PHE 23 2.415 -3.781 6.872 207 H SER 24 HN SER 24 8.704 -4.799 1.883 208 HA SER 24 HA SER 24 9.855 -2.790 0.117 209 1HB SER 24 HB2 SER 24 11.231 -5.183 -0.337 210 2HB SER 24 HB3 SER 24 11.735 -3.866 0.712 211 HG SER 24 HG SER 24 10.100 -6.050 1.536 212 H SER 25 HN SER 25 7.854 -5.641 -0.128 213 HA SER 25 HA SER 25 7.680 -5.221 -3.043 214 1HB SER 25 HB2 SER 25 7.318 -7.853 -3.074 215 2HB SER 25 HB3 SER 25 8.934 -7.160 -3.122 216 HG SER 25 HG SER 25 8.412 -7.375 -0.590 217 H GLN 26 HN GLN 26 5.756 -6.431 -3.970 218 HA GLN 26 HA GLN 26 3.366 -5.395 -2.893 219 1HB GLN 26 HB2 GLN 26 3.439 -7.725 -4.788 220 2HB GLN 26 HB3 GLN 26 2.260 -6.459 -4.666 221 1HG GLN 26 HG2 GLN 26 3.378 -5.042 -5.984 222 2HG GLN 26 HG3 GLN 26 4.949 -5.524 -5.362 223 1HE2 GLN 26 HE22 GLN 26 4.705 -6.515 -8.919 224 2HE2 GLN 26 HE21 GLN 26 4.586 -5.036 -8.020 225 H GLY 27 HN GLY 27 4.319 -8.814 -3.201 226 1HA GLY 27 HA1 GLY 27 2.318 -10.109 -1.893 227 2HA GLY 27 HA2 GLY 27 3.982 -10.641 -1.824 228 H GLU 28 HN GLU 28 4.933 -8.381 -0.259 229 HA GLU 28 HA GLU 28 4.412 -9.372 2.347 230 1HB GLU 28 HB2 GLU 28 5.750 -6.781 1.524 231 2HB GLU 28 HB3 GLU 28 5.840 -7.527 3.115 232 1HG GLU 28 HG2 GLU 28 6.958 -9.474 2.145 233 2HG GLU 28 HG3 GLU 28 6.874 -8.731 0.551 234 H ILE 29 HN ILE 29 3.268 -6.446 0.631 235 HA ILE 29 HA ILE 29 1.727 -5.567 2.912 236 HB ILE 29 HB ILE 29 2.028 -3.636 1.913 237 1HG1 ILE 29 HG12 ILE 29 0.001 -4.518 -0.143 238 2HG1 ILE 29 HG13 ILE 29 -0.384 -3.893 1.462 239 1HG2 ILE 29 HG22 ILE 29 3.672 -4.621 0.359 240 2HG2 ILE 29 HG23 ILE 29 2.374 -4.874 -0.804 241 3HG2 ILE 29 HG21 ILE 29 2.810 -3.246 -0.314 242 1HD1 ILE 29 HD13 ILE 29 1.218 -1.928 0.533 243 2HD1 ILE 29 HD11 ILE 29 0.462 -2.475 -0.966 244 3HD1 ILE 29 HD12 ILE 29 -0.538 -1.937 0.385 245 H VAL 30 HN VAL 30 1.209 -7.671 0.206 246 HA VAL 30 HA VAL 30 -1.625 -7.715 0.121 247 HB VAL 30 HB VAL 30 0.308 -9.991 -0.421 248 1HG1 VAL 30 HG12 VAL 30 -2.633 -9.712 -0.906 249 2HG1 VAL 30 HG13 VAL 30 -1.638 -10.798 -1.874 250 3HG1 VAL 30 HG11 VAL 30 -1.761 -11.030 -0.131 251 1HG2 VAL 30 HG21 VAL 30 0.299 -7.742 -1.821 252 2HG2 VAL 30 HG22 VAL 30 0.500 -9.312 -2.586 253 3HG2 VAL 30 HG23 VAL 30 -1.070 -8.528 -2.599 254 H ALA 31 HN ALA 31 0.734 -9.631 1.978 255 HA ALA 31 HA ALA 31 -1.149 -11.164 3.451 256 1HB ALA 31 HB3 ALA 31 1.739 -10.490 4.036 257 2HB ALA 31 HB1 ALA 31 0.786 -11.673 4.934 258 3HB ALA 31 HB2 ALA 31 1.128 -11.932 3.222 259 H ALA 32 HN ALA 32 0.610 -8.155 4.199 260 HA ALA 32 HA ALA 32 -0.106 -7.771 6.831 261 1HB ALA 32 HB2 ALA 32 1.510 -6.386 5.615 262 2HB ALA 32 HB3 ALA 32 0.187 -5.601 4.754 263 3HB ALA 32 HB1 ALA 32 0.337 -5.411 6.504 264 H LEU 33 HN LEU 33 -1.975 -6.672 3.972 265 HA LEU 33 HA LEU 33 -4.046 -5.461 5.474 266 1HB LEU 33 HB2 LEU 33 -4.207 -6.535 2.663 267 2HB LEU 33 HB3 LEU 33 -5.334 -5.408 3.409 268 HG LEU 33 HG LEU 33 -2.430 -4.673 3.192 269 1HD1 LEU 33 HD11 LEU 33 -4.482 -4.373 1.015 270 2HD1 LEU 33 HD12 LEU 33 -2.893 -3.614 1.036 271 3HD1 LEU 33 HD13 LEU 33 -3.031 -5.367 0.950 272 1HD2 LEU 33 HD23 LEU 33 -4.998 -3.094 3.199 273 2HD2 LEU 33 HD21 LEU 33 -3.874 -3.266 4.547 274 3HD2 LEU 33 HD22 LEU 33 -3.376 -2.412 3.088 275 H GLN 34 HN GLN 34 -3.496 -8.804 4.564 276 HA GLN 34 HA GLN 34 -6.179 -9.676 5.073 277 1HB GLN 34 HB2 GLN 34 -3.570 -11.195 4.936 278 2HB GLN 34 HB3 GLN 34 -5.126 -11.967 5.196 279 1HG GLN 34 HG2 GLN 34 -5.913 -11.361 3.062 280 2HG GLN 34 HG3 GLN 34 -4.603 -10.209 2.815 281 1HE2 GLN 34 HE22 GLN 34 -3.587 -12.940 0.729 282 2HE2 GLN 34 HE21 GLN 34 -4.649 -11.578 0.755 283 H GLU 35 HN GLU 35 -3.471 -8.903 7.065 284 HA GLU 35 HA GLU 35 -4.515 -10.226 9.452 285 1HB GLU 35 HB2 GLU 35 -2.196 -8.295 9.162 286 2HB GLU 35 HB3 GLU 35 -2.579 -9.249 10.588 287 1HG GLU 35 HG2 GLU 35 -1.990 -11.273 9.510 288 2HG GLU 35 HG3 GLU 35 -1.907 -10.489 7.935 289 H GLN 36 HN GLN 36 -4.545 -7.127 7.872 290 HA GLN 36 HA GLN 36 -5.315 -5.502 10.088 291 1HB GLN 36 HB2 GLN 36 -5.515 -5.118 7.095 292 2HB GLN 36 HB3 GLN 36 -6.013 -3.887 8.242 293 1HG GLN 36 HG2 GLN 36 -3.405 -4.703 8.988 294 2HG GLN 36 HG3 GLN 36 -3.390 -4.504 7.241 295 1HE2 GLN 36 HE22 GLN 36 -3.069 -1.317 9.528 296 2HE2 GLN 36 HE21 GLN 36 -2.817 -2.952 10.043 297 H GLY 37 HN GLY 37 -7.204 -6.650 7.279 298 1HA GLY 37 HA1 GLY 37 -9.374 -7.734 8.488 299 2HA GLY 37 HA2 GLY 37 -9.715 -6.012 8.575 300 H PHE 38 HN PHE 38 -8.072 -7.734 5.944 301 HA PHE 38 HA PHE 38 -10.403 -7.219 4.205 302 1HB PHE 38 HB2 PHE 38 -7.516 -6.805 3.398 303 2HB PHE 38 HB3 PHE 38 -8.948 -6.475 2.424 304 HD1 PHE 38 HD1 PHE 38 -10.379 -4.554 2.946 305 HD2 PHE 38 HD2 PHE 38 -6.819 -5.297 5.148 306 HE1 PHE 38 HE1 PHE 38 -10.461 -2.270 3.859 307 HE2 PHE 38 HE2 PHE 38 -6.893 -3.024 6.056 308 HZ PHE 38 HZ PHE 38 -8.710 -1.512 5.415 309 H ASP 39 HN ASP 39 -11.150 -9.168 3.717 310 HA ASP 39 HA ASP 39 -9.274 -11.400 3.216 311 1HB ASP 39 HB2 ASP 39 -12.242 -11.350 3.823 312 2HB ASP 39 HB3 ASP 39 -11.365 -12.816 3.413 313 H ASN 40 HN ASN 40 -9.735 -9.368 1.232 314 HA ASN 40 HA ASN 40 -10.370 -11.078 -0.991 315 1HB ASN 40 HB2 ASN 40 -11.873 -9.272 -2.048 316 2HB ASN 40 HB3 ASN 40 -12.581 -10.298 -0.812 317 1HD2 ASN 40 HD22 ASN 40 -13.272 -7.703 1.412 318 2HD2 ASN 40 HD21 ASN 40 -13.200 -9.410 1.142 319 H ILE 41 HN ILE 41 -7.982 -10.539 -0.614 320 HA ILE 41 HA ILE 41 -7.226 -8.401 -2.478 321 HB ILE 41 HB ILE 41 -6.798 -8.404 0.417 322 1HG1 ILE 41 HG12 ILE 41 -7.673 -6.602 -1.354 323 2HG1 ILE 41 HG13 ILE 41 -6.929 -6.137 0.171 324 1HG2 ILE 41 HG21 ILE 41 -4.361 -8.051 -1.306 325 2HG2 ILE 41 HG22 ILE 41 -4.510 -7.427 0.332 326 3HG2 ILE 41 HG23 ILE 41 -4.595 -9.163 0.047 327 1HD1 ILE 41 HD11 ILE 41 -5.413 -6.373 -2.411 328 2HD1 ILE 41 HD12 ILE 41 -6.132 -4.878 -1.815 329 3HD1 ILE 41 HD13 ILE 41 -4.860 -5.671 -0.891 330 H ASN 42 HN ASN 42 -5.449 -8.871 -3.698 331 HA ASN 42 HA ASN 42 -3.760 -11.156 -3.029 332 1HB ASN 42 HB2 ASN 42 -4.005 -12.234 -5.197 333 2HB ASN 42 HB3 ASN 42 -5.578 -12.110 -4.425 334 1HD2 ASN 42 HD22 ASN 42 -6.138 -11.258 -7.905 335 2HD2 ASN 42 HD21 ASN 42 -5.706 -12.634 -6.955 336 H GLN 43 HN GLN 43 -1.984 -11.364 -4.831 337 HA GLN 43 HA GLN 43 -0.388 -9.104 -4.731 338 1HB GLN 43 HB2 GLN 43 0.213 -11.566 -5.272 339 2HB GLN 43 HB3 GLN 43 -0.097 -11.122 -6.944 340 1HG GLN 43 HG2 GLN 43 1.617 -9.380 -6.810 341 2HG GLN 43 HG3 GLN 43 1.912 -9.800 -5.124 342 1HE2 GLN 43 HE22 GLN 43 2.904 -12.712 -7.821 343 2HE2 GLN 43 HE21 GLN 43 1.373 -11.915 -7.902 344 H SER 44 HN SER 44 -2.615 -10.071 -7.321 345 HA SER 44 HA SER 44 -1.784 -8.206 -9.248 346 1HB SER 44 HB2 SER 44 -4.660 -9.052 -9.141 347 2HB SER 44 HB3 SER 44 -3.558 -8.970 -10.512 348 HG SER 44 HG SER 44 -3.875 -11.116 -10.072 349 H LYS 45 HN LYS 45 -4.348 -7.994 -6.790 350 HA LYS 45 HA LYS 45 -5.253 -5.398 -7.518 351 1HB LYS 45 HB2 LYS 45 -6.090 -7.354 -5.752 352 2HB LYS 45 HB3 LYS 45 -5.540 -6.091 -4.667 353 1HG LYS 45 HG2 LYS 45 -7.374 -4.889 -5.025 354 2HG LYS 45 HG3 LYS 45 -7.171 -4.979 -6.774 355 1HD LYS 45 HD2 LYS 45 -8.417 -6.965 -6.940 356 2HD LYS 45 HD3 LYS 45 -8.286 -7.292 -5.210 357 1HE LYS 45 HE2 LYS 45 -10.538 -6.456 -6.060 358 2HE LYS 45 HE3 LYS 45 -9.854 -5.633 -4.661 359 1HZ LYS 45 HZ3 LYS 45 -9.601 -4.639 -7.452 360 2HZ LYS 45 HZ2 LYS 45 -10.795 -4.123 -6.355 361 3HZ LYS 45 HZ1 LYS 45 -9.156 -3.824 -6.020 362 H VAL 46 HN VAL 46 -2.675 -6.544 -5.458 363 HA VAL 46 HA VAL 46 -2.112 -4.045 -4.171 364 HB VAL 46 HB VAL 46 -0.671 -6.675 -4.303 365 1HG1 VAL 46 HG13 VAL 46 1.055 -4.908 -4.180 366 2HG1 VAL 46 HG11 VAL 46 0.244 -4.246 -2.761 367 3HG1 VAL 46 HG12 VAL 46 0.960 -5.852 -2.702 368 1HG2 VAL 46 HG23 VAL 46 -2.403 -5.205 -2.365 369 2HG2 VAL 46 HG21 VAL 46 -2.397 -6.912 -2.796 370 3HG2 VAL 46 HG22 VAL 46 -1.158 -6.269 -1.724 371 H SER 47 HN SER 47 -0.656 -5.791 -6.939 372 HA SER 47 HA SER 47 1.357 -3.833 -7.428 373 1HB SER 47 HB2 SER 47 1.383 -4.961 -9.759 374 2HB SER 47 HB3 SER 47 1.809 -5.940 -8.359 375 HG SER 47 HG SER 47 -0.116 -6.968 -8.452 376 H ARG 48 HN ARG 48 -1.967 -4.255 -8.530 377 HA ARG 48 HA ARG 48 -1.932 -2.157 -10.477 378 1HB ARG 48 HB2 ARG 48 -4.135 -3.625 -9.034 379 2HB ARG 48 HB3 ARG 48 -4.493 -2.260 -10.079 380 1HG ARG 48 HG2 ARG 48 -2.759 -4.067 -11.467 381 2HG ARG 48 HG3 ARG 48 -4.128 -4.959 -10.807 382 1HD ARG 48 HD2 ARG 48 -4.442 -2.409 -12.390 383 2HD ARG 48 HD3 ARG 48 -4.422 -3.998 -13.147 384 HE ARG 48 HE ARG 48 -6.592 -2.783 -11.732 385 1HH1 ARG 48 HH12 ARG 48 -5.134 -5.861 -12.519 386 2HH1 ARG 48 HH11 ARG 48 -6.621 -6.755 -12.327 387 1HH2 ARG 48 HH22 ARG 48 -8.526 -3.931 -11.490 388 2HH2 ARG 48 HH21 ARG 48 -8.552 -5.656 -11.751 389 H MET 49 HN MET 49 -2.912 -2.321 -7.049 390 HA MET 49 HA MET 49 -3.740 0.377 -6.826 391 1HB MET 49 HB2 MET 49 -2.978 -1.740 -4.845 392 2HB MET 49 HB3 MET 49 -3.148 -0.080 -4.297 393 1HG MET 49 HG2 MET 49 -5.430 -0.020 -5.153 394 2HG MET 49 HG3 MET 49 -5.275 -1.687 -5.694 395 1HE MET 49 HE2 MET 49 -7.248 -0.090 -3.992 396 2HE MET 49 HE3 MET 49 -7.764 -1.201 -2.721 397 3HE MET 49 HE1 MET 49 -6.758 0.190 -2.320 398 H LEU 50 HN LEU 50 -0.569 -1.167 -6.465 399 HA LEU 50 HA LEU 50 0.845 1.003 -5.357 400 1HB LEU 50 HB2 LEU 50 1.605 -1.450 -6.886 401 2HB LEU 50 HB3 LEU 50 2.810 -0.176 -6.757 402 HG LEU 50 HG LEU 50 1.457 -1.100 -4.268 403 1HD1 LEU 50 HD13 LEU 50 3.676 -2.609 -5.638 404 2HD1 LEU 50 HD11 LEU 50 3.103 -2.894 -3.993 405 3HD1 LEU 50 HD12 LEU 50 2.034 -3.190 -5.360 406 1HD2 LEU 50 HD21 LEU 50 4.095 0.076 -4.992 407 2HD2 LEU 50 HD22 LEU 50 2.887 0.637 -3.834 408 3HD2 LEU 50 HD23 LEU 50 3.867 -0.778 -3.467 409 H THR 51 HN THR 51 0.348 0.093 -8.779 410 HA THR 51 HA THR 51 1.707 2.424 -9.780 411 HB THR 51 HB THR 51 -0.091 0.429 -11.184 412 HG1 THR 51 HG1 THR 51 2.683 0.579 -10.665 413 1HG2 THR 51 HG21 THR 51 1.678 2.581 -12.310 414 2HG2 THR 51 HG23 THR 51 1.186 1.161 -13.231 415 3HG2 THR 51 HG22 THR 51 -0.032 2.287 -12.630 416 H LYS 52 HN LYS 52 -1.665 1.590 -9.145 417 HA LYS 52 HA LYS 52 -2.891 3.774 -10.460 418 1HB LYS 52 HB2 LYS 52 -4.162 1.802 -9.738 419 2HB LYS 52 HB3 LYS 52 -3.833 2.183 -8.057 420 1HG LYS 52 HG2 LYS 52 -5.123 4.368 -9.521 421 2HG LYS 52 HG3 LYS 52 -6.085 2.892 -9.447 422 1HD LYS 52 HD2 LYS 52 -5.706 2.865 -6.965 423 2HD LYS 52 HD3 LYS 52 -4.962 4.456 -7.120 424 1HE LYS 52 HE2 LYS 52 -7.807 3.705 -7.788 425 2HE LYS 52 HE3 LYS 52 -7.266 4.714 -6.448 426 1HZ LYS 52 HZ1 LYS 52 -6.441 6.337 -8.064 427 2HZ LYS 52 HZ3 LYS 52 -7.038 5.377 -9.339 428 3HZ LYS 52 HZ2 LYS 52 -8.117 6.078 -8.226 429 H PHE 53 HN PHE 53 -1.961 3.328 -7.042 430 HA PHE 53 HA PHE 53 -2.712 5.987 -6.277 431 1HB PHE 53 HB2 PHE 53 -1.222 3.761 -4.887 432 2HB PHE 53 HB3 PHE 53 -1.398 5.343 -4.150 433 HD1 PHE 53 HD1 PHE 53 -4.079 6.173 -4.620 434 HD2 PHE 53 HD2 PHE 53 -2.615 2.242 -3.916 435 HE1 PHE 53 HE1 PHE 53 -6.282 5.503 -3.762 436 HE2 PHE 53 HE2 PHE 53 -4.802 1.568 -3.056 437 HZ PHE 53 HZ PHE 53 -6.648 3.196 -2.983 438 H GLY 54 HN GLY 54 0.255 4.513 -7.423 439 1HA GLY 54 HA1 GLY 54 2.063 5.673 -8.363 440 2HA GLY 54 HA2 GLY 54 1.489 7.157 -7.623 441 H ALA 55 HN ALA 55 2.503 3.937 -6.471 442 HA ALA 55 HA ALA 55 3.768 5.037 -4.127 443 1HB ALA 55 HB3 ALA 55 2.645 2.867 -4.035 444 2HB ALA 55 HB1 ALA 55 3.805 2.215 -5.196 445 3HB ALA 55 HB2 ALA 55 4.348 2.727 -3.594 446 H VAL 56 HN VAL 56 5.914 5.134 -3.639 447 HA VAL 56 HA VAL 56 7.863 4.657 -5.810 448 HB VAL 56 HB VAL 56 9.055 6.666 -5.253 449 1HG1 VAL 56 HG12 VAL 56 6.844 6.683 -6.646 450 2HG1 VAL 56 HG13 VAL 56 6.231 7.645 -5.296 451 3HG1 VAL 56 HG11 VAL 56 7.630 8.207 -6.216 452 1HG2 VAL 56 HG23 VAL 56 7.129 6.865 -2.948 453 2HG2 VAL 56 HG21 VAL 56 8.892 6.985 -2.942 454 3HG2 VAL 56 HG22 VAL 56 7.916 8.302 -3.598 455 H ARG 57 HN ARG 57 9.744 3.672 -5.223 456 HA ARG 57 HA ARG 57 9.887 2.624 -2.501 457 1HB ARG 57 HB2 ARG 57 11.475 1.996 -5.008 458 2HB ARG 57 HB3 ARG 57 11.818 1.284 -3.442 459 1HG ARG 57 HG2 ARG 57 9.465 0.445 -3.403 460 2HG ARG 57 HG3 ARG 57 9.343 0.949 -5.089 461 1HD ARG 57 HD2 ARG 57 9.872 -1.441 -4.862 462 2HD ARG 57 HD3 ARG 57 11.153 -0.556 -5.694 463 HE ARG 57 HE ARG 57 11.790 -0.636 -2.972 464 1HH1 ARG 57 HH12 ARG 57 11.419 -2.889 -5.626 465 2HH1 ARG 57 HH11 ARG 57 12.568 -4.032 -4.977 466 1HH2 ARG 57 HH22 ARG 57 13.279 -2.118 -2.125 467 2HH2 ARG 57 HH21 ARG 57 13.617 -3.594 -2.982 468 H THR 58 HN THR 58 11.313 3.269 -0.971 469 HA THR 58 HA THR 58 13.762 4.626 -1.661 470 HB THR 58 HB THR 58 11.874 6.403 -1.774 471 HG1 THR 58 HG1 THR 58 13.960 7.076 -1.774 472 1HG2 THR 58 HG22 THR 58 10.938 5.656 0.508 473 2HG2 THR 58 HG21 THR 58 12.237 6.642 1.177 474 3HG2 THR 58 HG23 THR 58 11.026 7.373 0.124 475 H ARG 59 HN ARG 59 14.756 5.583 0.505 476 HA ARG 59 HA ARG 59 15.092 3.344 2.224 477 1HB ARG 59 HB2 ARG 59 16.330 5.997 1.847 478 2HB ARG 59 HB3 ARG 59 16.403 5.377 3.482 479 1HG ARG 59 HG2 ARG 59 17.259 3.198 2.276 480 2HG ARG 59 HG3 ARG 59 17.685 4.341 1.006 481 1HD ARG 59 HD2 ARG 59 18.481 4.896 3.840 482 2HD ARG 59 HD3 ARG 59 19.408 3.749 2.881 483 HE ARG 59 HE ARG 59 20.157 5.474 1.519 484 1HH1 ARG 59 HH12 ARG 59 17.836 6.683 3.853 485 2HH1 ARG 59 HH11 ARG 59 18.208 8.354 3.556 486 1HH2 ARG 59 HH22 ARG 59 20.669 7.655 1.145 487 2HH2 ARG 59 HH21 ARG 59 19.818 8.905 2.015 488 H ASN 60 HN ASN 60 14.395 2.971 4.283 489 HA ASN 60 HA ASN 60 12.430 4.853 5.417 490 1HB ASN 60 HB2 ASN 60 11.420 2.993 6.562 491 2HB ASN 60 HB3 ASN 60 11.634 2.551 4.876 492 1HD2 ASN 60 HD22 ASN 60 12.588 -0.386 6.813 493 2HD2 ASN 60 HD21 ASN 60 11.162 0.538 6.483 494 H ALA 61 HN ALA 61 12.412 3.728 8.036 495 HA ALA 61 HA ALA 61 14.280 5.326 9.346 496 1HB ALA 61 HB1 ALA 61 12.185 4.564 10.347 497 2HB ALA 61 HB2 ALA 61 12.833 2.926 10.461 498 3HB ALA 61 HB3 ALA 61 13.567 4.234 11.390 499 H LYS 62 HN LYS 62 14.604 1.968 8.314 500 HA LYS 62 HA LYS 62 17.237 1.831 9.643 501 1HB LYS 62 HB2 LYS 62 15.348 -0.350 8.782 502 2HB LYS 62 HB3 LYS 62 17.032 -0.655 9.191 503 1HG LYS 62 HG2 LYS 62 16.642 -0.563 11.383 504 2HG LYS 62 HG3 LYS 62 15.668 0.901 11.239 505 1HD LYS 62 HD2 LYS 62 14.410 -1.585 10.249 506 2HD LYS 62 HD3 LYS 62 14.685 -1.501 11.990 507 1HE LYS 62 HE2 LYS 62 13.499 0.669 12.044 508 2HE LYS 62 HE3 LYS 62 13.174 0.509 10.318 509 1HZ LYS 62 HZ3 LYS 62 11.925 -1.512 10.777 510 2HZ LYS 62 HZ2 LYS 62 12.222 -1.343 12.445 511 3HZ LYS 62 HZ1 LYS 62 11.278 -0.182 11.626 512 H MET 63 HN MET 63 16.598 3.121 7.036 513 HA MET 63 HA MET 63 17.645 3.452 5.063 514 1HB MET 63 HB2 MET 63 19.734 1.391 5.709 515 2HB MET 63 HB3 MET 63 19.910 2.927 4.891 516 1HG MET 63 HG2 MET 63 19.580 2.449 7.817 517 2HG MET 63 HG3 MET 63 20.972 3.123 6.979 518 1HE MET 63 HE3 MET 63 19.684 4.140 9.509 519 2HE MET 63 HE1 MET 63 20.747 5.430 8.951 520 3HE MET 63 HE2 MET 63 19.074 5.786 9.374 521 H GLU 64 HN GLU 64 15.797 0.978 5.462 522 HA GLU 64 HA GLU 64 16.662 -0.819 3.352 523 1HB GLU 64 HB2 GLU 64 13.921 -0.726 4.629 524 2HB GLU 64 HB3 GLU 64 14.685 -2.077 3.807 525 1HG GLU 64 HG2 GLU 64 16.314 -2.258 5.627 526 2HG GLU 64 HG3 GLU 64 15.531 -0.913 6.453 527 H MET 65 HN MET 65 16.046 -0.771 1.246 528 HA MET 65 HA MET 65 14.587 1.525 0.244 529 1HB MET 65 HB2 MET 65 15.818 -0.876 -1.124 530 2HB MET 65 HB3 MET 65 14.978 0.403 -1.990 531 1HG MET 65 HG2 MET 65 17.413 0.806 -0.258 532 2HG MET 65 HG3 MET 65 17.429 0.652 -2.012 533 1HE MET 65 HE1 MET 65 16.825 2.480 -3.669 534 2HE MET 65 HE2 MET 65 15.140 2.333 -3.182 535 3HE MET 65 HE3 MET 65 15.893 3.924 -3.283 536 H VAL 66 HN VAL 66 12.570 1.109 1.317 537 HA VAL 66 HA VAL 66 10.991 -1.149 0.278 538 HB VAL 66 HB VAL 66 9.484 -0.728 2.210 539 1HG1 VAL 66 HG11 VAL 66 12.394 -1.309 2.669 540 2HG1 VAL 66 HG12 VAL 66 11.236 -1.344 3.995 541 3HG1 VAL 66 HG13 VAL 66 11.031 -2.428 2.618 542 1HG2 VAL 66 HG22 VAL 66 11.437 1.480 2.748 543 2HG2 VAL 66 HG23 VAL 66 9.674 1.521 2.765 544 3HG2 VAL 66 HG21 VAL 66 10.552 0.714 4.065 545 H TYR 67 HN TYR 67 8.604 -0.715 0.177 546 HA TYR 67 HA TYR 67 8.066 1.330 -1.737 547 1HB TYR 67 HB2 TYR 67 6.467 -0.854 -0.446 548 2HB TYR 67 HB3 TYR 67 5.597 0.474 -1.192 549 HD1 TYR 67 HD1 TYR 67 7.359 1.004 -3.544 550 HD2 TYR 67 HD2 TYR 67 5.911 -2.638 -1.884 551 HE1 TYR 67 HE1 TYR 67 7.532 -0.039 -5.741 552 HE2 TYR 67 HE2 TYR 67 6.044 -3.713 -4.094 553 HH TYR 67 HH TYR 67 6.030 -2.880 -6.570 554 H CYS 68 HN CYS 68 7.169 3.260 -1.481 555 HA CYS 68 HA CYS 68 5.930 3.997 1.077 556 1HB CYS 68 HB2 CYS 68 8.073 5.599 -0.357 557 2HB CYS 68 HB3 CYS 68 7.181 6.136 1.051 558 HG CYS 68 HG CYS 68 9.085 5.189 2.272 559 H LEU 69 HN LEU 69 4.680 6.013 0.899 560 HA LEU 69 HA LEU 69 3.582 6.345 -1.817 561 1HB LEU 69 HB2 LEU 69 2.221 5.491 0.427 562 2HB LEU 69 HB3 LEU 69 1.866 7.201 0.389 563 HG LEU 69 HG LEU 69 0.328 5.485 -0.795 564 1HD1 LEU 69 HD12 LEU 69 0.925 8.256 -1.279 565 2HD1 LEU 69 HD13 LEU 69 0.105 7.456 -2.630 566 3HD1 LEU 69 HD11 LEU 69 -0.613 7.447 -1.018 567 1HD2 LEU 69 HD21 LEU 69 2.353 4.710 -2.195 568 2HD2 LEU 69 HD22 LEU 69 0.747 4.811 -2.912 569 3HD2 LEU 69 HD23 LEU 69 1.917 6.087 -3.202 570 HA PRO 70 HA PRO 70 4.739 10.628 -1.624 571 1HB PRO 70 HB2 PRO 70 2.193 11.226 -3.009 572 2HB PRO 70 HB3 PRO 70 3.852 11.530 -3.521 573 1HG PRO 70 HG2 PRO 70 2.277 9.596 -4.603 574 2HG PRO 70 HG3 PRO 70 4.043 9.489 -4.533 575 1HD PRO 70 HD2 PRO 70 2.004 8.049 -2.922 576 2HD PRO 70 HD3 PRO 70 3.647 7.581 -3.381 577 H ALA 71 HN ALA 71 3.136 12.771 -1.532 578 HA ALA 71 HA ALA 71 2.073 12.856 1.149 579 1HB ALA 71 HB2 ALA 71 3.421 14.695 0.149 580 2HB ALA 71 HB3 ALA 71 2.075 15.029 -0.936 581 3HB ALA 71 HB1 ALA 71 1.872 15.217 0.808 582 H GLU 72 HN GLU 72 0.106 14.946 0.197 583 HA GLU 72 HA GLU 72 -2.227 13.345 0.206 584 1HB GLU 72 HB2 GLU 72 -2.521 16.095 -0.852 585 2HB GLU 72 HB3 GLU 72 -3.368 15.284 0.452 586 1HG GLU 72 HG2 GLU 72 -1.311 15.631 1.870 587 2HG GLU 72 HG3 GLU 72 -0.701 16.664 0.574 588 H LEU 73 HN LEU 73 -2.378 11.920 -1.481 589 HA LEU 73 HA LEU 73 -3.123 12.906 -4.071 590 1HB LEU 73 HB2 LEU 73 -0.566 12.858 -4.053 591 2HB LEU 73 HB3 LEU 73 -0.691 11.116 -3.926 592 HG LEU 73 HG LEU 73 -1.802 11.002 -6.095 593 1HD1 LEU 73 HD11 LEU 73 -1.811 13.973 -5.845 594 2HD1 LEU 73 HD12 LEU 73 -1.702 13.239 -7.444 595 3HD1 LEU 73 HD13 LEU 73 -3.075 12.881 -6.404 596 1HD2 LEU 73 HD23 LEU 73 0.875 12.097 -5.710 597 2HD2 LEU 73 HD21 LEU 73 0.329 10.768 -6.733 598 3HD2 LEU 73 HD22 LEU 73 0.210 12.431 -7.308 599 H GLY 74 HN GLY 74 -4.556 11.530 -4.952 600 1HA GLY 74 HA1 GLY 74 -5.587 9.515 -5.496 601 2HA GLY 74 HA2 GLY 74 -4.469 8.671 -4.443 602 H VAL 75 HN VAL 75 -6.578 11.382 -3.565 603 HA VAL 75 HA VAL 75 -8.331 9.592 -2.044 604 HB VAL 75 HB VAL 75 -7.293 12.059 -0.668 605 1HG1 VAL 75 HG21 VAL 75 -9.349 10.790 0.092 606 2HG1 VAL 75 HG22 VAL 75 -8.263 9.469 0.516 607 3HG1 VAL 75 HG23 VAL 75 -8.094 11.036 1.308 608 1HG2 VAL 75 HG13 VAL 75 -6.018 9.327 -0.606 609 2HG2 VAL 75 HG11 VAL 75 -5.269 10.845 -1.100 610 3HG2 VAL 75 HG12 VAL 75 -5.717 10.587 0.585 611 HA PRO 76 HA PRO 76 -11.084 12.648 -3.904 612 1HB PRO 76 HB2 PRO 76 -13.378 11.301 -3.622 613 2HB PRO 76 HB3 PRO 76 -12.132 10.754 -4.746 614 1HG PRO 76 HG2 PRO 76 -12.747 9.761 -1.983 615 2HG PRO 76 HG3 PRO 76 -12.411 8.831 -3.457 616 1HD PRO 76 HD2 PRO 76 -10.538 9.368 -1.516 617 2HD PRO 76 HD3 PRO 76 -10.144 9.039 -3.213 618 H THR 77 HN THR 77 -10.200 13.438 -1.436 619 HA THR 77 HA THR 77 -12.343 14.960 -0.426 620 HB THR 77 HB THR 77 -13.189 12.971 0.637 621 HG1 THR 77 HG1 THR 77 -11.797 14.662 2.407 622 1HG2 THR 77 HG21 THR 77 -10.365 12.375 1.428 623 2HG2 THR 77 HG23 THR 77 -11.715 11.770 2.389 624 3HG2 THR 77 HG22 THR 77 -11.576 11.325 0.688 625 H THR 78 HN THR 78 -10.040 15.844 -1.299 626 HA THR 78 HA THR 78 -8.779 17.027 1.023 627 HB THR 78 HB THR 78 -6.443 16.424 0.051 628 HG1 THR 78 HG1 THR 78 -7.056 15.449 -1.855 629 1HG2 THR 78 HG22 THR 78 -7.602 15.433 2.160 630 2HG2 THR 78 HG21 THR 78 -7.731 13.980 1.166 631 3HG2 THR 78 HG23 THR 78 -6.149 14.687 1.504 No H/Q in entry = 631 Start of MODEL 14 1 1H MET 1 HT3 MET 1 -17.644 -7.113 17.027 2 2H MET 1 HT2 MET 1 -16.739 -7.173 18.489 3 3H MET 1 HT1 MET 1 -18.292 -7.905 18.409 4 HA MET 1 HA MET 1 -18.929 -6.052 19.376 5 1HB MET 1 HB2 MET 1 -16.382 -4.951 18.219 6 2HB MET 1 HB3 MET 1 -17.603 -3.834 18.814 7 1HG MET 1 HG2 MET 1 -16.922 -6.022 20.654 8 2HG MET 1 HG3 MET 1 -15.618 -4.891 20.311 9 1HE MET 1 HE3 MET 1 -19.020 -5.541 21.885 10 2HE MET 1 HE1 MET 1 -19.547 -3.972 22.499 11 3HE MET 1 HE2 MET 1 -19.617 -4.312 20.769 12 H ARG 2 HN ARG 2 -17.689 -4.212 16.648 13 HA ARG 2 HA ARG 2 -20.268 -4.385 15.254 14 1HB ARG 2 HB2 ARG 2 -19.007 -1.693 15.799 15 2HB ARG 2 HB3 ARG 2 -20.607 -2.035 15.159 16 1HG ARG 2 HG2 ARG 2 -21.333 -2.855 17.321 17 2HG ARG 2 HG3 ARG 2 -19.709 -2.624 17.973 18 1HD ARG 2 HD2 ARG 2 -19.908 -0.190 17.445 19 2HD ARG 2 HD3 ARG 2 -21.585 -0.474 16.985 20 HE ARG 2 HE ARG 2 -22.158 -0.584 19.199 21 1HH1 ARG 2 HH12 ARG 2 -18.671 -0.817 18.929 22 2HH1 ARG 2 HH11 ARG 2 -18.400 -0.666 20.642 23 1HH2 ARG 2 HH22 ARG 2 -21.815 -0.400 21.443 24 2HH2 ARG 2 HH21 ARG 2 -20.191 -0.436 22.074 25 H SER 3 HN SER 3 -19.842 -4.864 13.203 26 HA SER 3 HA SER 3 -17.225 -4.288 12.042 27 1HB SER 3 HB2 SER 3 -19.600 -5.811 10.913 28 2HB SER 3 HB3 SER 3 -18.022 -5.665 10.136 29 HG SER 3 HG SER 3 -17.738 -7.488 11.202 30 H SER 4 HN SER 4 -17.092 -2.174 11.522 31 HA SER 4 HA SER 4 -19.050 -1.080 9.594 32 1HB SER 4 HB2 SER 4 -18.239 1.199 10.754 33 2HB SER 4 HB3 SER 4 -19.609 0.277 11.361 34 HG SER 4 HG SER 4 -18.562 0.178 13.159 35 H ALA 5 HN ALA 5 -17.849 -1.437 7.793 36 HA ALA 5 HA ALA 5 -15.690 0.363 7.263 37 1HB ALA 5 HB1 ALA 5 -15.064 -2.563 7.640 38 2HB ALA 5 HB2 ALA 5 -14.040 -1.486 6.690 39 3HB ALA 5 HB3 ALA 5 -14.294 -1.173 8.405 40 H LYS 6 HN LYS 6 -16.044 0.973 5.251 41 HA LYS 6 HA LYS 6 -17.447 -0.710 3.321 42 1HB LYS 6 HB2 LYS 6 -16.165 1.934 2.652 43 2HB LYS 6 HB3 LYS 6 -17.597 1.189 1.953 44 1HG LYS 6 HG2 LYS 6 -18.719 1.574 4.199 45 2HG LYS 6 HG3 LYS 6 -17.337 2.601 4.589 46 1HD LYS 6 HD2 LYS 6 -18.043 3.532 2.111 47 2HD LYS 6 HD3 LYS 6 -19.610 3.101 2.798 48 1HE LYS 6 HE2 LYS 6 -19.294 5.338 3.421 49 2HE LYS 6 HE3 LYS 6 -18.884 4.416 4.866 50 1HZ LYS 6 HZ1 LYS 6 -16.826 5.329 2.925 51 2HZ LYS 6 HZ3 LYS 6 -17.330 6.281 4.242 52 3HZ LYS 6 HZ2 LYS 6 -16.594 4.774 4.518 53 H GLN 7 HN GLN 7 -16.056 0.040 0.949 54 HA GLN 7 HA GLN 7 -13.673 -1.632 1.240 55 1HB GLN 7 HB2 GLN 7 -15.388 -1.780 -0.723 56 2HB GLN 7 HB3 GLN 7 -14.462 -0.435 -1.383 57 1HG GLN 7 HG2 GLN 7 -13.259 -2.127 -2.289 58 2HG GLN 7 HG3 GLN 7 -12.427 -2.002 -0.736 59 1HE2 GLN 7 HE22 GLN 7 -13.556 -5.105 0.486 60 2HE2 GLN 7 HE21 GLN 7 -12.934 -3.549 0.912 61 H GLU 8 HN GLU 8 -14.451 1.651 1.271 62 HA GLU 8 HA GLU 8 -12.048 2.760 0.199 63 1HB GLU 8 HB2 GLU 8 -13.794 4.048 2.306 64 2HB GLU 8 HB3 GLU 8 -12.797 4.837 1.092 65 1HG GLU 8 HG2 GLU 8 -14.295 3.987 -0.665 66 2HG GLU 8 HG3 GLU 8 -15.316 3.262 0.577 67 H GLU 9 HN GLU 9 -12.347 0.721 2.687 68 HA GLU 9 HA GLU 9 -10.556 2.017 4.611 69 1HB GLU 9 HB2 GLU 9 -12.361 -0.337 4.662 70 2HB GLU 9 HB3 GLU 9 -10.866 -0.525 5.563 71 1HG GLU 9 HG2 GLU 9 -12.741 0.275 6.937 72 2HG GLU 9 HG3 GLU 9 -11.369 1.375 6.929 73 H LEU 10 HN LEU 10 -10.663 -0.600 2.264 74 HA LEU 10 HA LEU 10 -8.051 -1.629 2.672 75 1HB LEU 10 HB2 LEU 10 -9.567 -2.975 1.445 76 2HB LEU 10 HB3 LEU 10 -9.972 -1.675 0.345 77 HG LEU 10 HG LEU 10 -7.683 -1.851 -0.634 78 1HD1 LEU 10 HD13 LEU 10 -7.476 -4.138 1.308 79 2HD1 LEU 10 HD11 LEU 10 -6.462 -4.001 -0.127 80 3HD1 LEU 10 HD12 LEU 10 -6.391 -2.760 1.123 81 1HD2 LEU 10 HD23 LEU 10 -9.532 -4.212 -0.653 82 2HD2 LEU 10 HD21 LEU 10 -9.360 -2.932 -1.850 83 3HD2 LEU 10 HD22 LEU 10 -8.094 -4.144 -1.670 84 H VAL 11 HN VAL 11 -9.381 1.007 0.752 85 HA VAL 11 HA VAL 11 -6.955 1.649 -0.637 86 HB VAL 11 HB VAL 11 -9.566 3.118 -0.243 87 1HG1 VAL 11 HG13 VAL 11 -7.017 4.172 -1.310 88 2HG1 VAL 11 HG11 VAL 11 -8.469 4.508 -2.253 89 3HG1 VAL 11 HG12 VAL 11 -8.378 5.010 -0.567 90 1HG2 VAL 11 HG23 VAL 11 -8.261 1.680 -2.540 91 2HG2 VAL 11 HG21 VAL 11 -9.790 1.312 -1.744 92 3HG2 VAL 11 HG22 VAL 11 -9.643 2.753 -2.749 93 H LYS 12 HN LYS 12 -8.597 3.130 2.218 94 HA LYS 12 HA LYS 12 -6.579 5.078 2.634 95 1HB LYS 12 HB2 LYS 12 -8.331 5.854 3.768 96 2HB LYS 12 HB3 LYS 12 -9.024 4.257 3.973 97 1HG LYS 12 HG2 LYS 12 -6.729 5.153 5.679 98 2HG LYS 12 HG3 LYS 12 -8.392 5.612 6.055 99 1HD LYS 12 HD2 LYS 12 -8.001 2.787 5.405 100 2HD LYS 12 HD3 LYS 12 -7.204 3.308 6.884 101 1HE LYS 12 HE2 LYS 12 -10.125 3.663 6.211 102 2HE LYS 12 HE3 LYS 12 -9.471 2.453 7.311 103 1HZ LYS 12 HZ3 LYS 12 -8.520 4.521 8.528 104 2HZ LYS 12 HZ2 LYS 12 -9.743 5.359 7.682 105 3HZ LYS 12 HZ1 LYS 12 -10.154 4.085 8.734 106 H ALA 13 HN ALA 13 -6.991 1.796 3.795 107 HA ALA 13 HA ALA 13 -4.818 1.808 5.644 108 1HB ALA 13 HB3 ALA 13 -6.579 0.137 5.798 109 2HB ALA 13 HB1 ALA 13 -6.129 -0.514 4.222 110 3HB ALA 13 HB2 ALA 13 -5.013 -0.640 5.582 111 H PHE 14 HN PHE 14 -5.148 0.911 2.221 112 HA PHE 14 HA PHE 14 -2.632 -0.164 1.735 113 1HB PHE 14 HB2 PHE 14 -4.592 -0.055 0.128 114 2HB PHE 14 HB3 PHE 14 -4.131 1.596 -0.232 115 HD1 PHE 14 HD1 PHE 14 -3.218 -1.946 -0.492 116 HD2 PHE 14 HD2 PHE 14 -2.188 2.044 -1.576 117 HE1 PHE 14 HE1 PHE 14 -1.638 -2.810 -2.159 118 HE2 PHE 14 HE2 PHE 14 -0.598 1.175 -3.254 119 HZ PHE 14 HZ PHE 14 -0.335 -1.245 -3.536 120 H LYS 15 HN LYS 15 -3.637 3.263 1.428 121 HA LYS 15 HA LYS 15 -1.146 4.310 0.713 122 1HB LYS 15 HB2 LYS 15 -3.577 5.476 1.973 123 2HB LYS 15 HB3 LYS 15 -2.106 6.434 1.937 124 1HG LYS 15 HG2 LYS 15 -2.444 6.981 -0.174 125 2HG LYS 15 HG3 LYS 15 -2.514 5.290 -0.645 126 1HD LYS 15 HD2 LYS 15 -4.716 5.295 -0.846 127 2HD LYS 15 HD3 LYS 15 -4.948 6.090 0.701 128 1HE LYS 15 HE2 LYS 15 -4.931 7.226 -2.024 129 2HE LYS 15 HE3 LYS 15 -5.851 7.723 -0.605 130 1HZ LYS 15 HZ2 LYS 15 -3.248 8.373 -0.001 131 2HZ LYS 15 HZ1 LYS 15 -3.448 8.830 -1.626 132 3HZ LYS 15 HZ3 LYS 15 -4.502 9.430 -0.441 133 H ALA 16 HN ALA 16 -2.609 3.880 3.913 134 HA ALA 16 HA ALA 16 -0.611 5.053 5.484 135 1HB ALA 16 HB1 ALA 16 -2.881 4.486 6.284 136 2HB ALA 16 HB2 ALA 16 -2.433 2.781 6.283 137 3HB ALA 16 HB3 ALA 16 -1.611 3.910 7.360 138 H LEU 17 HN LEU 17 -1.023 1.649 4.502 139 HA LEU 17 HA LEU 17 1.098 0.489 5.896 140 1HB LEU 17 HB2 LEU 17 -0.076 -0.169 3.190 141 2HB LEU 17 HB3 LEU 17 1.140 -1.168 3.950 142 HG LEU 17 HG LEU 17 -1.735 -0.852 4.603 143 1HD1 LEU 17 HD13 LEU 17 0.205 -3.146 4.530 144 2HD1 LEU 17 HD11 LEU 17 -1.481 -3.292 5.019 145 3HD1 LEU 17 HD12 LEU 17 -1.080 -2.781 3.380 146 1HD2 LEU 17 HD23 LEU 17 0.377 -1.415 6.664 147 2HD2 LEU 17 HD21 LEU 17 -0.897 -0.196 6.710 148 3HD2 LEU 17 HD22 LEU 17 -1.304 -1.904 6.844 149 H LEU 18 HN LEU 18 1.075 1.934 2.661 150 HA LEU 18 HA LEU 18 3.830 1.485 2.102 151 1HB LEU 18 HB2 LEU 18 2.009 3.609 0.958 152 2HB LEU 18 HB3 LEU 18 3.523 3.062 0.266 153 HG LEU 18 HG LEU 18 1.244 1.136 0.667 154 1HD1 LEU 18 HD11 LEU 18 1.404 3.392 -1.197 155 2HD1 LEU 18 HD12 LEU 18 1.091 1.831 -1.958 156 3HD1 LEU 18 HD13 LEU 18 0.021 2.425 -0.690 157 1HD2 LEU 18 HD21 LEU 18 3.547 0.324 0.121 158 2HD2 LEU 18 HD22 LEU 18 2.314 -0.096 -1.071 159 3HD2 LEU 18 HD23 LEU 18 3.429 1.229 -1.397 160 H LYS 19 HN LYS 19 2.100 4.418 3.155 161 HA LYS 19 HA LYS 19 4.310 6.119 3.273 162 1HB LYS 19 HB2 LYS 19 1.680 6.224 4.750 163 2HB LYS 19 HB3 LYS 19 2.860 7.529 4.756 164 1HG LYS 19 HG2 LYS 19 2.627 7.884 2.413 165 2HG LYS 19 HG3 LYS 19 1.671 6.410 2.220 166 1HD LYS 19 HD2 LYS 19 -0.112 7.757 2.360 167 2HD LYS 19 HD3 LYS 19 0.212 7.780 4.093 168 1HE LYS 19 HE2 LYS 19 1.272 9.773 2.087 169 2HE LYS 19 HE3 LYS 19 -0.110 10.041 3.146 170 1HZ LYS 19 HZ2 LYS 19 1.534 9.569 5.026 171 2HZ LYS 19 HZ1 LYS 19 2.757 9.826 3.867 172 3HZ LYS 19 HZ3 LYS 19 1.642 11.062 4.222 173 H GLU 20 HN GLU 20 3.446 3.606 5.477 174 HA GLU 20 HA GLU 20 4.779 4.635 7.802 175 1HB GLU 20 HB2 GLU 20 3.886 1.865 6.995 176 2HB GLU 20 HB3 GLU 20 4.744 2.165 8.497 177 1HG GLU 20 HG2 GLU 20 2.467 3.949 8.130 178 2HG GLU 20 HG3 GLU 20 2.011 2.249 8.125 179 H GLU 21 HN GLU 21 5.881 3.214 4.858 180 HA GLU 21 HA GLU 21 7.910 2.613 4.039 181 1HB GLU 21 HB2 GLU 21 9.039 4.056 6.453 182 2HB GLU 21 HB3 GLU 21 9.915 3.635 4.989 183 1HG GLU 21 HG2 GLU 21 8.555 5.154 3.685 184 2HG GLU 21 HG3 GLU 21 7.573 5.525 5.099 185 H LYS 22 HN LYS 22 7.096 0.426 4.693 186 HA LYS 22 HA LYS 22 9.048 -0.898 6.457 187 1HB LYS 22 HB2 LYS 22 7.059 -0.521 7.812 188 2HB LYS 22 HB3 LYS 22 6.043 -1.227 6.570 189 1HG LYS 22 HG2 LYS 22 6.286 -3.244 7.439 190 2HG LYS 22 HG3 LYS 22 8.040 -3.136 7.307 191 1HD LYS 22 HD2 LYS 22 8.133 -3.140 9.526 192 2HD LYS 22 HD3 LYS 22 7.397 -1.542 9.515 193 1HE LYS 22 HE2 LYS 22 5.755 -4.057 9.414 194 2HE LYS 22 HE3 LYS 22 6.285 -3.351 10.934 195 1HZ LYS 22 HZ1 LYS 22 4.643 -1.944 8.894 196 2HZ LYS 22 HZ3 LYS 22 4.040 -2.674 10.307 197 3HZ LYS 22 HZ2 LYS 22 5.092 -1.340 10.418 198 H PHE 23 HN PHE 23 6.361 -1.480 4.193 199 HA PHE 23 HA PHE 23 7.207 -4.137 3.589 200 1HB PHE 23 HB2 PHE 23 5.205 -2.424 2.092 201 2HB PHE 23 HB3 PHE 23 5.338 -4.190 2.066 202 HD1 PHE 23 HD1 PHE 23 5.230 -5.352 4.403 203 HD2 PHE 23 HD2 PHE 23 3.738 -1.446 3.643 204 HE1 PHE 23 HE1 PHE 23 3.825 -5.509 6.409 205 HE2 PHE 23 HE2 PHE 23 2.331 -1.598 5.654 206 HZ PHE 23 HZ PHE 23 2.371 -3.631 7.040 207 H SER 24 HN SER 24 8.445 -4.910 2.049 208 HA SER 24 HA SER 24 9.753 -3.042 0.215 209 1HB SER 24 HB2 SER 24 11.394 -4.932 -0.095 210 2HB SER 24 HB3 SER 24 11.293 -4.282 1.535 211 HG SER 24 HG SER 24 9.638 -6.122 1.761 212 H SER 25 HN SER 25 7.573 -5.761 0.118 213 HA SER 25 HA SER 25 7.568 -5.571 -2.822 214 1HB SER 25 HB2 SER 25 7.281 -8.018 -2.991 215 2HB SER 25 HB3 SER 25 8.819 -7.594 -2.245 216 HG SER 25 HG SER 25 8.198 -8.464 -0.413 217 H GLN 26 HN GLN 26 5.624 -6.648 -3.768 218 HA GLN 26 HA GLN 26 3.222 -5.474 -2.836 219 1HB GLN 26 HB2 GLN 26 3.214 -7.874 -4.632 220 2HB GLN 26 HB3 GLN 26 2.272 -6.416 -4.709 221 1HG GLN 26 HG2 GLN 26 4.490 -5.242 -5.278 222 2HG GLN 26 HG3 GLN 26 5.070 -6.872 -5.626 223 1HE2 GLN 26 HE22 GLN 26 3.399 -5.008 -8.559 224 2HE2 GLN 26 HE21 GLN 26 4.334 -4.363 -7.255 225 H GLY 27 HN GLY 27 4.129 -8.902 -3.033 226 1HA GLY 27 HA1 GLY 27 2.046 -10.048 -1.628 227 2HA GLY 27 HA2 GLY 27 3.659 -10.724 -1.697 228 H GLU 28 HN GLU 28 4.719 -8.257 -0.238 229 HA GLU 28 HA GLU 28 4.444 -9.314 2.410 230 1HB GLU 28 HB2 GLU 28 6.454 -8.020 1.299 231 2HB GLU 28 HB3 GLU 28 5.613 -6.601 1.899 232 1HG GLU 28 HG2 GLU 28 5.773 -7.381 4.157 233 2HG GLU 28 HG3 GLU 28 6.383 -8.944 3.629 234 H ILE 29 HN ILE 29 3.211 -6.411 0.731 235 HA ILE 29 HA ILE 29 1.791 -5.503 3.076 236 HB ILE 29 HB ILE 29 1.920 -3.565 2.059 237 1HG1 ILE 29 HG12 ILE 29 0.048 -4.596 -0.074 238 2HG1 ILE 29 HG13 ILE 29 -0.437 -3.929 1.484 239 1HG2 ILE 29 HG22 ILE 29 3.709 -4.425 0.647 240 2HG2 ILE 29 HG23 ILE 29 2.520 -4.913 -0.559 241 3HG2 ILE 29 HG21 ILE 29 2.748 -3.211 -0.189 242 1HD1 ILE 29 HD13 ILE 29 1.135 -1.930 0.525 243 2HD1 ILE 29 HD11 ILE 29 0.430 -2.570 -0.961 244 3HD1 ILE 29 HD12 ILE 29 -0.616 -2.013 0.345 245 H VAL 30 HN VAL 30 1.177 -7.695 0.491 246 HA VAL 30 HA VAL 30 -1.658 -7.794 0.527 247 HB VAL 30 HB VAL 30 0.422 -9.904 -0.100 248 1HG1 VAL 30 HG13 VAL 30 -2.502 -10.208 0.189 249 2HG1 VAL 30 HG11 VAL 30 -1.755 -10.983 -1.204 250 3HG1 VAL 30 HG12 VAL 30 -1.211 -11.379 0.427 251 1HG2 VAL 30 HG21 VAL 30 -0.048 -7.882 -1.631 252 2HG2 VAL 30 HG22 VAL 30 0.011 -9.493 -2.341 253 3HG2 VAL 30 HG23 VAL 30 -1.545 -8.731 -2.022 254 H ALA 31 HN ALA 31 0.792 -9.757 2.242 255 HA ALA 31 HA ALA 31 -0.983 -11.166 3.911 256 1HB ALA 31 HB1 ALA 31 1.346 -11.853 3.517 257 2HB ALA 31 HB2 ALA 31 1.906 -10.478 4.467 258 3HB ALA 31 HB3 ALA 31 0.967 -11.756 5.235 259 H ALA 32 HN ALA 32 0.676 -8.059 4.364 260 HA ALA 32 HA ALA 32 0.070 -7.608 7.065 261 1HB ALA 32 HB2 ALA 32 1.680 -6.287 5.708 262 2HB ALA 32 HB3 ALA 32 0.312 -5.486 4.934 263 3HB ALA 32 HB1 ALA 32 0.577 -5.301 6.668 264 H LEU 33 HN LEU 33 -1.833 -6.757 4.153 265 HA LEU 33 HA LEU 33 -3.925 -5.466 5.614 266 1HB LEU 33 HB2 LEU 33 -3.986 -6.627 2.823 267 2HB LEU 33 HB3 LEU 33 -5.217 -5.574 3.515 268 HG LEU 33 HG LEU 33 -2.377 -4.631 3.335 269 1HD1 LEU 33 HD12 LEU 33 -3.069 -5.464 1.089 270 2HD1 LEU 33 HD13 LEU 33 -4.398 -4.306 1.135 271 3HD1 LEU 33 HD11 LEU 33 -2.731 -3.737 1.160 272 1HD2 LEU 33 HD21 LEU 33 -5.066 -3.275 3.378 273 2HD2 LEU 33 HD22 LEU 33 -3.856 -3.286 4.660 274 3HD2 LEU 33 HD23 LEU 33 -3.531 -2.438 3.148 275 H GLN 34 HN GLN 34 -3.343 -8.810 4.595 276 HA GLN 34 HA GLN 34 -5.916 -9.815 5.245 277 1HB GLN 34 HB2 GLN 34 -3.227 -11.188 5.134 278 2HB GLN 34 HB3 GLN 34 -4.739 -12.039 5.415 279 1HG GLN 34 HG2 GLN 34 -5.247 -10.536 3.140 280 2HG GLN 34 HG3 GLN 34 -3.585 -11.052 2.928 281 1HE2 GLN 34 HE22 GLN 34 -4.820 -13.911 1.454 282 2HE2 GLN 34 HE21 GLN 34 -3.919 -12.449 1.293 283 H GLU 35 HN GLU 35 -3.078 -9.120 7.203 284 HA GLU 35 HA GLU 35 -4.041 -10.367 9.610 285 1HB GLU 35 HB2 GLU 35 -1.951 -8.213 9.174 286 2HB GLU 35 HB3 GLU 35 -2.282 -8.973 10.724 287 1HG GLU 35 HG2 GLU 35 -1.747 -11.183 9.517 288 2HG GLU 35 HG3 GLU 35 -1.031 -10.159 8.278 289 H GLN 36 HN GLN 36 -4.357 -7.216 8.092 290 HA GLN 36 HA GLN 36 -5.451 -5.816 10.322 291 1HB GLN 36 HB2 GLN 36 -5.375 -5.297 7.362 292 2HB GLN 36 HB3 GLN 36 -6.287 -4.259 8.433 293 1HG GLN 36 HG2 GLN 36 -3.703 -4.588 9.560 294 2HG GLN 36 HG3 GLN 36 -3.496 -4.235 7.847 295 1HE2 GLN 36 HE22 GLN 36 -3.954 -0.848 8.351 296 2HE2 GLN 36 HE21 GLN 36 -3.216 -2.150 7.489 297 H GLY 37 HN GLY 37 -7.080 -6.865 7.305 298 1HA GLY 37 HA1 GLY 37 -9.182 -8.269 8.365 299 2HA GLY 37 HA2 GLY 37 -9.693 -6.595 8.488 300 H PHE 38 HN PHE 38 -7.746 -7.989 5.885 301 HA PHE 38 HA PHE 38 -10.043 -7.733 4.037 302 1HB PHE 38 HB2 PHE 38 -7.241 -6.890 3.263 303 2HB PHE 38 HB3 PHE 38 -8.746 -6.632 2.394 304 HD1 PHE 38 HD1 PHE 38 -6.657 -5.479 5.177 305 HD2 PHE 38 HD2 PHE 38 -10.234 -4.843 2.969 306 HE1 PHE 38 HE1 PHE 38 -6.876 -3.263 6.188 307 HE2 PHE 38 HE2 PHE 38 -10.461 -2.617 3.985 308 HZ PHE 38 HZ PHE 38 -8.770 -1.830 5.590 309 H ASP 39 HN ASP 39 -10.398 -9.801 3.464 310 HA ASP 39 HA ASP 39 -8.138 -11.612 3.048 311 1HB ASP 39 HB2 ASP 39 -10.156 -12.243 4.491 312 2HB ASP 39 HB3 ASP 39 -11.058 -12.379 2.986 313 H ASN 40 HN ASN 40 -10.632 -10.041 1.345 314 HA ASN 40 HA ASN 40 -10.341 -11.533 -1.100 315 1HB ASN 40 HB2 ASN 40 -12.502 -10.457 -0.337 316 2HB ASN 40 HB3 ASN 40 -11.787 -8.895 -0.718 317 1HD2 ASN 40 HD22 ASN 40 -13.327 -9.227 -3.831 318 2HD2 ASN 40 HD21 ASN 40 -13.306 -8.425 -2.297 319 H ILE 41 HN ILE 41 -7.866 -10.635 -0.380 320 HA ILE 41 HA ILE 41 -7.271 -8.475 -2.312 321 HB ILE 41 HB ILE 41 -6.324 -8.885 0.467 322 1HG1 ILE 41 HG12 ILE 41 -6.159 -6.473 0.426 323 2HG1 ILE 41 HG13 ILE 41 -6.281 -6.454 -1.330 324 1HG2 ILE 41 HG22 ILE 41 -4.369 -8.036 -1.673 325 2HG2 ILE 41 HG23 ILE 41 -4.135 -7.813 0.059 326 3HG2 ILE 41 HG21 ILE 41 -4.236 -9.439 -0.611 327 1HD1 ILE 41 HD13 ILE 41 -8.501 -7.640 0.242 328 2HD1 ILE 41 HD11 ILE 41 -8.333 -5.890 0.169 329 3HD1 ILE 41 HD12 ILE 41 -8.524 -6.817 -1.318 330 H ASN 42 HN ASN 42 -5.659 -8.814 -3.754 331 HA ASN 42 HA ASN 42 -4.149 -11.340 -3.656 332 1HB ASN 42 HB2 ASN 42 -4.534 -11.735 -6.068 333 2HB ASN 42 HB3 ASN 42 -6.017 -11.824 -5.133 334 1HD2 ASN 42 HD22 ASN 42 -7.618 -9.261 -6.846 335 2HD2 ASN 42 HD21 ASN 42 -7.661 -10.415 -5.560 336 H GLN 43 HN GLN 43 -2.291 -11.359 -5.195 337 HA GLN 43 HA GLN 43 -0.622 -9.168 -4.807 338 1HB GLN 43 HB2 GLN 43 -0.105 -11.647 -5.486 339 2HB GLN 43 HB3 GLN 43 -0.161 -11.019 -7.125 340 1HG GLN 43 HG2 GLN 43 1.508 -9.238 -6.200 341 2HG GLN 43 HG3 GLN 43 1.776 -10.429 -4.926 342 1HE2 GLN 43 HE22 GLN 43 3.397 -12.762 -7.036 343 2HE2 GLN 43 HE21 GLN 43 2.437 -12.587 -5.610 344 H SER 44 HN SER 44 -2.511 -10.002 -7.709 345 HA SER 44 HA SER 44 -1.558 -8.039 -9.440 346 1HB SER 44 HB2 SER 44 -4.396 -8.536 -9.796 347 2HB SER 44 HB3 SER 44 -3.059 -8.890 -10.858 348 HG SER 44 HG SER 44 -4.294 -10.746 -10.048 349 H LYS 45 HN LYS 45 -4.367 -7.917 -7.289 350 HA LYS 45 HA LYS 45 -5.182 -5.286 -7.813 351 1HB LYS 45 HB2 LYS 45 -6.341 -7.177 -6.464 352 2HB LYS 45 HB3 LYS 45 -5.447 -6.552 -5.088 353 1HG LYS 45 HG2 LYS 45 -6.796 -4.767 -4.864 354 2HG LYS 45 HG3 LYS 45 -6.921 -4.512 -6.607 355 1HD LYS 45 HD2 LYS 45 -8.501 -6.425 -6.732 356 2HD LYS 45 HD3 LYS 45 -8.431 -6.555 -4.973 357 1HE LYS 45 HE2 LYS 45 -9.200 -4.147 -4.890 358 2HE LYS 45 HE3 LYS 45 -9.502 -4.274 -6.622 359 1HZ LYS 45 HZ2 LYS 45 -10.674 -6.442 -5.174 360 2HZ LYS 45 HZ1 LYS 45 -11.241 -4.935 -4.622 361 3HZ LYS 45 HZ3 LYS 45 -11.393 -5.352 -6.268 362 H VAL 46 HN VAL 46 -2.776 -6.520 -5.558 363 HA VAL 46 HA VAL 46 -2.250 -4.071 -4.180 364 HB VAL 46 HB VAL 46 -0.806 -6.698 -4.375 365 1HG1 VAL 46 HG11 VAL 46 0.097 -4.304 -2.775 366 2HG1 VAL 46 HG12 VAL 46 0.755 -5.934 -2.667 367 3HG1 VAL 46 HG13 VAL 46 0.948 -5.015 -4.150 368 1HG2 VAL 46 HG23 VAL 46 -2.656 -5.345 -2.518 369 2HG2 VAL 46 HG21 VAL 46 -2.456 -7.055 -2.877 370 3HG2 VAL 46 HG22 VAL 46 -1.347 -6.251 -1.771 371 H SER 47 HN SER 47 -0.909 -5.627 -7.060 372 HA SER 47 HA SER 47 1.179 -3.697 -7.464 373 1HB SER 47 HB2 SER 47 1.000 -6.080 -8.437 374 2HB SER 47 HB3 SER 47 -0.054 -5.368 -9.651 375 HG SER 47 HG SER 47 1.640 -4.634 -10.628 376 H ARG 48 HN ARG 48 -2.188 -4.029 -8.510 377 HA ARG 48 HA ARG 48 -2.202 -1.896 -10.408 378 1HB ARG 48 HB2 ARG 48 -4.364 -3.311 -8.853 379 2HB ARG 48 HB3 ARG 48 -4.739 -1.918 -9.855 380 1HG ARG 48 HG2 ARG 48 -3.226 -3.591 -11.501 381 2HG ARG 48 HG3 ARG 48 -4.306 -4.672 -10.614 382 1HD ARG 48 HD2 ARG 48 -5.190 -2.207 -12.114 383 2HD ARG 48 HD3 ARG 48 -5.260 -3.849 -12.754 384 HE ARG 48 HE ARG 48 -6.621 -3.877 -10.338 385 1HH1 ARG 48 HH12 ARG 48 -6.932 -2.361 -13.473 386 2HH1 ARG 48 HH11 ARG 48 -8.672 -2.274 -13.399 387 1HH2 ARG 48 HH22 ARG 48 -8.901 -3.755 -10.219 388 2HH2 ARG 48 HH21 ARG 48 -9.794 -3.058 -11.549 389 H MET 49 HN MET 49 -3.011 -2.075 -6.953 390 HA MET 49 HA MET 49 -3.722 0.652 -6.675 391 1HB MET 49 HB2 MET 49 -2.934 -1.490 -4.709 392 2HB MET 49 HB3 MET 49 -3.227 0.166 -4.188 393 1HG MET 49 HG2 MET 49 -5.485 0.001 -5.285 394 2HG MET 49 HG3 MET 49 -5.169 -1.718 -5.485 395 1HE MET 49 HE2 MET 49 -7.559 -0.867 -4.453 396 2HE MET 49 HE3 MET 49 -7.635 -2.280 -3.405 397 3HE MET 49 HE1 MET 49 -7.826 -0.667 -2.724 398 H LEU 50 HN LEU 50 -0.621 -1.054 -6.439 399 HA LEU 50 HA LEU 50 0.905 1.060 -5.336 400 1HB LEU 50 HB2 LEU 50 1.548 -1.415 -6.898 401 2HB LEU 50 HB3 LEU 50 2.792 -0.174 -6.774 402 HG LEU 50 HG LEU 50 1.442 -1.186 -4.305 403 1HD1 LEU 50 HD13 LEU 50 3.555 -2.569 -5.906 404 2HD1 LEU 50 HD11 LEU 50 3.474 -2.749 -4.153 405 3HD1 LEU 50 HD12 LEU 50 2.110 -3.244 -5.153 406 1HD2 LEU 50 HD23 LEU 50 4.061 0.108 -4.925 407 2HD2 LEU 50 HD21 LEU 50 2.768 0.671 -3.861 408 3HD2 LEU 50 HD22 LEU 50 3.752 -0.714 -3.397 409 H THR 51 HN THR 51 0.109 0.209 -8.677 410 HA THR 51 HA THR 51 1.631 2.337 -9.859 411 HB THR 51 HB THR 51 -0.644 0.826 -11.168 412 HG1 THR 51 HG1 THR 51 0.645 -0.781 -10.372 413 1HG2 THR 51 HG22 THR 51 0.365 2.676 -12.459 414 2HG2 THR 51 HG21 THR 51 1.923 1.856 -12.355 415 3HG2 THR 51 HG23 THR 51 0.578 1.093 -13.205 416 H LYS 52 HN LYS 52 -1.820 1.804 -9.180 417 HA LYS 52 HA LYS 52 -2.857 4.172 -10.233 418 1HB LYS 52 HB2 LYS 52 -4.268 2.305 -9.623 419 2HB LYS 52 HB3 LYS 52 -3.818 2.453 -7.932 420 1HG LYS 52 HG2 LYS 52 -5.028 4.869 -9.106 421 2HG LYS 52 HG3 LYS 52 -6.085 3.458 -9.036 422 1HD LYS 52 HD2 LYS 52 -5.325 3.249 -6.583 423 2HD LYS 52 HD3 LYS 52 -4.736 4.900 -6.769 424 1HE LYS 52 HE2 LYS 52 -7.566 4.122 -7.422 425 2HE LYS 52 HE3 LYS 52 -7.071 4.599 -5.798 426 1HZ LYS 52 HZ1 LYS 52 -6.290 6.401 -7.960 427 2HZ LYS 52 HZ3 LYS 52 -7.956 6.325 -7.603 428 3HZ LYS 52 HZ2 LYS 52 -6.837 6.749 -6.391 429 H PHE 53 HN PHE 53 -1.761 3.504 -6.899 430 HA PHE 53 HA PHE 53 -2.282 6.221 -6.055 431 1HB PHE 53 HB2 PHE 53 -1.032 3.849 -4.643 432 2HB PHE 53 HB3 PHE 53 -1.222 5.425 -3.890 433 HD1 PHE 53 HD1 PHE 53 -3.829 6.347 -4.481 434 HD2 PHE 53 HD2 PHE 53 -2.553 2.334 -3.872 435 HE1 PHE 53 HE1 PHE 53 -6.113 5.721 -3.817 436 HE2 PHE 53 HE2 PHE 53 -4.826 1.704 -3.208 437 HZ PHE 53 HZ PHE 53 -6.616 3.390 -3.191 438 H GLY 54 HN GLY 54 0.143 4.968 -7.901 439 1HA GLY 54 HA1 GLY 54 2.194 5.744 -8.556 440 2HA GLY 54 HA2 GLY 54 1.737 7.265 -7.813 441 H ALA 55 HN ALA 55 2.455 4.043 -6.445 442 HA ALA 55 HA ALA 55 3.992 5.197 -4.303 443 1HB ALA 55 HB3 ALA 55 2.641 3.197 -3.955 444 2HB ALA 55 HB1 ALA 55 3.653 2.307 -5.091 445 3HB ALA 55 HB2 ALA 55 4.336 2.895 -3.574 446 H VAL 56 HN VAL 56 6.203 4.979 -3.898 447 HA VAL 56 HA VAL 56 7.902 4.191 -6.188 448 HB VAL 56 HB VAL 56 9.518 5.981 -5.319 449 1HG1 VAL 56 HG13 VAL 56 8.168 6.134 -7.407 450 2HG1 VAL 56 HG11 VAL 56 6.931 6.995 -6.489 451 3HG1 VAL 56 HG12 VAL 56 8.538 7.696 -6.675 452 1HG2 VAL 56 HG21 VAL 56 8.272 6.327 -3.165 453 2HG2 VAL 56 HG22 VAL 56 8.661 7.802 -4.041 454 3HG2 VAL 56 HG23 VAL 56 7.024 7.154 -4.092 455 H ARG 57 HN ARG 57 9.868 3.185 -5.701 456 HA ARG 57 HA ARG 57 10.042 1.972 -3.029 457 1HB ARG 57 HB2 ARG 57 11.634 1.355 -5.535 458 2HB ARG 57 HB3 ARG 57 11.626 0.422 -4.045 459 1HG ARG 57 HG2 ARG 57 9.358 -0.251 -4.395 460 2HG ARG 57 HG3 ARG 57 9.203 0.812 -5.794 461 1HD ARG 57 HD2 ARG 57 9.560 -1.595 -6.368 462 2HD ARG 57 HD3 ARG 57 10.756 -0.500 -7.052 463 HE ARG 57 HE ARG 57 12.392 -1.483 -5.770 464 1HH1 ARG 57 HH12 ARG 57 9.252 -2.512 -4.625 465 2HH1 ARG 57 HH11 ARG 57 9.882 -3.725 -3.554 466 1HH2 ARG 57 HH22 ARG 57 13.249 -3.081 -4.371 467 2HH2 ARG 57 HH21 ARG 57 12.166 -4.059 -3.410 468 H THR 58 HN THR 58 11.482 2.734 -1.544 469 HA THR 58 HA THR 58 14.047 3.798 -2.411 470 HB THR 58 HB THR 58 12.373 5.716 -2.585 471 HG1 THR 58 HG1 THR 58 14.720 5.930 -2.260 472 1HG2 THR 58 HG22 THR 58 11.261 5.094 -0.346 473 2HG2 THR 58 HG21 THR 58 12.596 5.988 0.378 474 3HG2 THR 58 HG23 THR 58 11.506 6.793 -0.751 475 H ARG 59 HN ARG 59 15.252 4.731 -0.423 476 HA ARG 59 HA ARG 59 15.389 2.638 1.538 477 1HB ARG 59 HB2 ARG 59 17.061 4.861 0.650 478 2HB ARG 59 HB3 ARG 59 17.036 4.748 2.399 479 1HG ARG 59 HG2 ARG 59 17.560 2.246 2.018 480 2HG ARG 59 HG3 ARG 59 18.034 2.760 0.400 481 1HD ARG 59 HD2 ARG 59 19.171 3.726 3.031 482 2HD ARG 59 HD3 ARG 59 19.988 2.740 1.815 483 HE ARG 59 HE ARG 59 19.165 5.136 0.598 484 1HH1 ARG 59 HH12 ARG 59 21.429 4.093 3.066 485 2HH1 ARG 59 HH11 ARG 59 22.514 5.429 2.803 486 1HH2 ARG 59 HH22 ARG 59 20.585 6.861 0.255 487 2HH2 ARG 59 HH21 ARG 59 22.036 6.996 1.197 488 H ASN 60 HN ASN 60 14.669 2.648 3.620 489 HA ASN 60 HA ASN 60 13.028 4.914 4.490 490 1HB ASN 60 HB2 ASN 60 12.090 3.412 6.171 491 2HB ASN 60 HB3 ASN 60 11.977 2.710 4.567 492 1HD2 ASN 60 HD22 ASN 60 12.965 -0.073 6.619 493 2HD2 ASN 60 HD21 ASN 60 11.583 0.911 6.278 494 H ALA 61 HN ALA 61 13.295 4.139 7.328 495 HA ALA 61 HA ALA 61 15.421 5.920 8.021 496 1HB ALA 61 HB2 ALA 61 13.572 4.223 9.690 497 2HB ALA 61 HB3 ALA 61 14.786 5.301 10.378 498 3HB ALA 61 HB1 ALA 61 13.486 5.958 9.389 499 H LYS 62 HN LYS 62 15.208 2.452 7.701 500 HA LYS 62 HA LYS 62 17.899 2.193 8.889 501 1HB LYS 62 HB2 LYS 62 15.711 0.111 8.837 502 2HB LYS 62 HB3 LYS 62 17.330 -0.104 9.487 503 1HG LYS 62 HG2 LYS 62 16.756 1.880 11.024 504 2HG LYS 62 HG3 LYS 62 15.085 1.572 10.553 505 1HD LYS 62 HD2 LYS 62 15.839 -0.928 11.208 506 2HD LYS 62 HD3 LYS 62 16.907 -0.006 12.270 507 1HE LYS 62 HE2 LYS 62 15.011 -0.332 13.577 508 2HE LYS 62 HE3 LYS 62 14.794 1.294 12.935 509 1HZ LYS 62 HZ2 LYS 62 13.528 -0.098 11.065 510 2HZ LYS 62 HZ1 LYS 62 13.286 -1.144 12.386 511 3HZ LYS 62 HZ3 LYS 62 12.756 0.475 12.470 512 H MET 63 HN MET 63 17.889 2.890 6.345 513 HA MET 63 HA MET 63 18.466 2.378 4.218 514 1HB MET 63 HB2 MET 63 20.444 0.918 4.043 515 2HB MET 63 HB3 MET 63 20.579 2.124 5.312 516 1HG MET 63 HG2 MET 63 20.413 0.545 7.010 517 2HG MET 63 HG3 MET 63 19.668 -0.654 5.953 518 1HE MET 63 HE3 MET 63 21.105 -1.451 3.675 519 2HE MET 63 HE1 MET 63 22.497 -2.398 4.201 520 3HE MET 63 HE2 MET 63 20.935 -2.609 4.991 521 H GLU 64 HN GLU 64 16.071 0.889 4.829 522 HA GLU 64 HA GLU 64 16.553 -1.538 3.227 523 1HB GLU 64 HB2 GLU 64 14.345 -0.832 5.162 524 2HB GLU 64 HB3 GLU 64 14.206 -2.169 4.041 525 1HG GLU 64 HG2 GLU 64 16.631 -2.663 5.207 526 2HG GLU 64 HG3 GLU 64 15.725 -1.933 6.530 527 H MET 65 HN MET 65 15.700 -1.710 1.226 528 HA MET 65 HA MET 65 14.419 0.575 0.019 529 1HB MET 65 HB2 MET 65 15.073 -2.179 -1.050 530 2HB MET 65 HB3 MET 65 14.320 -0.914 -2.013 531 1HG MET 65 HG2 MET 65 16.440 0.448 -1.105 532 2HG MET 65 HG3 MET 65 17.108 -1.179 -1.075 533 1HE MET 65 HE2 MET 65 15.004 1.249 -3.099 534 2HE MET 65 HE3 MET 65 16.592 1.924 -3.470 535 3HE MET 65 HE1 MET 65 15.646 1.154 -4.739 536 H VAL 66 HN VAL 66 12.368 0.977 0.555 537 HA VAL 66 HA VAL 66 10.409 -1.221 0.443 538 HB VAL 66 HB VAL 66 9.197 -0.223 2.357 539 1HG1 VAL 66 HG12 VAL 66 10.775 -2.087 2.690 540 2HG1 VAL 66 HG13 VAL 66 12.065 -0.925 2.997 541 3HG1 VAL 66 HG11 VAL 66 10.694 -1.026 4.097 542 1HG2 VAL 66 HG21 VAL 66 11.602 1.595 2.510 543 2HG2 VAL 66 HG22 VAL 66 9.920 2.064 2.258 544 3HG2 VAL 66 HG23 VAL 66 10.425 1.390 3.804 545 H TYR 67 HN TYR 67 8.213 -0.549 0.182 546 HA TYR 67 HA TYR 67 7.866 1.440 -1.872 547 1HB TYR 67 HB2 TYR 67 6.081 -0.562 -0.494 548 2HB TYR 67 HB3 TYR 67 5.372 0.717 -1.460 549 HD1 TYR 67 HD2 TYR 67 6.904 0.947 -3.815 550 HD2 TYR 67 HD1 TYR 67 5.921 -2.570 -1.626 551 HE1 TYR 67 HE2 TYR 67 7.131 -0.385 -5.867 552 HE2 TYR 67 HE1 TYR 67 6.128 -3.918 -3.674 553 HH TYR 67 HH TYR 67 7.029 -2.416 -6.786 554 H CYS 68 HN CYS 68 7.255 3.495 -1.556 555 HA CYS 68 HA CYS 68 5.724 4.223 0.838 556 1HB CYS 68 HB2 CYS 68 7.083 6.247 1.190 557 2HB CYS 68 HB3 CYS 68 8.037 4.788 1.390 558 HG CYS 68 HG CYS 68 9.525 5.507 -0.416 559 H LEU 69 HN LEU 69 4.909 6.554 0.589 560 HA LEU 69 HA LEU 69 3.885 6.830 -2.156 561 1HB LEU 69 HB2 LEU 69 2.558 6.779 0.253 562 2HB LEU 69 HB3 LEU 69 2.658 8.497 -0.065 563 HG LEU 69 HG LEU 69 1.522 8.198 -2.199 564 1HD1 LEU 69 HD11 LEU 69 2.200 5.410 -1.757 565 2HD1 LEU 69 HD12 LEU 69 0.492 5.620 -2.140 566 3HD1 LEU 69 HD13 LEU 69 1.723 6.236 -3.242 567 1HD2 LEU 69 HD21 LEU 69 0.093 6.830 0.071 568 2HD2 LEU 69 HD22 LEU 69 0.148 8.564 -0.238 569 3HD2 LEU 69 HD23 LEU 69 -0.669 7.493 -1.375 570 HA PRO 70 HA PRO 70 6.192 10.603 -2.915 571 1HB PRO 70 HB2 PRO 70 3.757 11.551 -4.338 572 2HB PRO 70 HB3 PRO 70 5.413 11.363 -4.925 573 1HG PRO 70 HG2 PRO 70 3.513 9.660 -5.659 574 2HG PRO 70 HG3 PRO 70 5.152 9.082 -5.293 575 1HD PRO 70 HD2 PRO 70 2.686 8.997 -3.589 576 2HD PRO 70 HD3 PRO 70 3.893 7.734 -3.875 577 H ALA 71 HN ALA 71 4.643 13.030 -3.457 578 HA ALA 71 HA ALA 71 4.593 14.089 -0.774 579 1HB ALA 71 HB3 ALA 71 5.501 15.380 -2.642 580 2HB ALA 71 HB1 ALA 71 3.893 15.456 -3.362 581 3HB ALA 71 HB2 ALA 71 4.202 16.233 -1.810 582 H GLU 72 HN GLU 72 2.816 12.516 -0.255 583 HA GLU 72 HA GLU 72 0.666 11.967 0.261 584 1HB GLU 72 HB2 GLU 72 0.565 14.983 0.463 585 2HB GLU 72 HB3 GLU 72 -0.709 13.925 1.051 586 1HG GLU 72 HG2 GLU 72 1.921 13.157 2.051 587 2HG GLU 72 HG3 GLU 72 1.504 14.815 2.468 588 H LEU 73 HN LEU 73 0.208 11.101 -1.876 589 HA LEU 73 HA LEU 73 -1.111 12.672 -3.863 590 1HB LEU 73 HB2 LEU 73 0.234 10.591 -4.291 591 2HB LEU 73 HB3 LEU 73 -1.091 9.659 -3.623 592 HG LEU 73 HG LEU 73 -1.996 11.477 -5.722 593 1HD1 LEU 73 HD11 LEU 73 0.258 11.152 -6.593 594 2HD1 LEU 73 HD12 LEU 73 0.053 9.400 -6.484 595 3HD1 LEU 73 HD13 LEU 73 -0.944 10.340 -7.595 596 1HD2 LEU 73 HD21 LEU 73 -2.173 8.530 -5.177 597 2HD2 LEU 73 HD22 LEU 73 -3.445 9.749 -5.096 598 3HD2 LEU 73 HD23 LEU 73 -2.802 9.250 -6.658 599 H GLY 74 HN GLY 74 -2.843 13.647 -2.832 600 1HA GLY 74 HA1 GLY 74 -5.344 12.394 -3.017 601 2HA GLY 74 HA2 GLY 74 -4.842 12.327 -1.334 602 H VAL 75 HN VAL 75 -5.206 14.599 -4.042 603 HA VAL 75 HA VAL 75 -6.160 16.646 -2.151 604 HB VAL 75 HB VAL 75 -4.990 18.395 -3.438 605 1HG1 VAL 75 HG21 VAL 75 -3.967 17.147 -1.443 606 2HG1 VAL 75 HG22 VAL 75 -2.930 16.369 -2.639 607 3HG1 VAL 75 HG23 VAL 75 -2.901 18.120 -2.454 608 1HG2 VAL 75 HG12 VAL 75 -4.057 16.063 -5.076 609 2HG2 VAL 75 HG13 VAL 75 -4.686 17.621 -5.606 610 3HG2 VAL 75 HG11 VAL 75 -3.060 17.507 -4.936 611 HA PRO 76 HA PRO 76 -9.416 17.306 -5.121 612 1HB PRO 76 HB2 PRO 76 -9.652 20.129 -4.537 613 2HB PRO 76 HB3 PRO 76 -10.647 18.799 -3.954 614 1HG PRO 76 HG2 PRO 76 -8.974 20.281 -2.365 615 2HG PRO 76 HG3 PRO 76 -9.486 18.627 -1.997 616 1HD PRO 76 HD2 PRO 76 -6.924 19.595 -3.209 617 2HD PRO 76 HD3 PRO 76 -7.188 18.335 -1.989 618 H THR 77 HN THR 77 -8.315 17.015 -7.078 619 HA THR 77 HA THR 77 -7.161 19.412 -8.359 620 HB THR 77 HB THR 77 -5.725 17.372 -8.136 621 HG1 THR 77 HG1 THR 77 -4.862 18.240 -9.810 622 1HG2 THR 77 HG21 THR 77 -7.551 15.663 -8.505 623 2HG2 THR 77 HG23 THR 77 -7.426 16.035 -10.227 624 3HG2 THR 77 HG22 THR 77 -6.033 15.389 -9.359 625 H THR 78 HN THR 78 -8.128 20.310 -10.079 626 HA THR 78 HA THR 78 -10.191 18.849 -11.570 627 HB THR 78 HB THR 78 -11.725 20.808 -11.426 628 HG1 THR 78 HG1 THR 78 -9.921 22.257 -10.768 629 1HG2 THR 78 HG22 THR 78 -11.961 18.896 -9.835 630 2HG2 THR 78 HG21 THR 78 -11.065 19.853 -8.654 631 3HG2 THR 78 HG23 THR 78 -12.615 20.433 -9.267 No H/Q in entry = 631 Start of MODEL 15 1 1H MET 1 HT1 MET 1 -23.451 1.785 -2.489 2 2H MET 1 HT3 MET 1 -24.154 0.218 -2.609 3 3H MET 1 HT2 MET 1 -23.549 0.778 -1.097 4 HA MET 1 HA MET 1 -21.371 0.704 -1.810 5 1HB MET 1 HB2 MET 1 -22.561 -1.434 -1.169 6 2HB MET 1 HB3 MET 1 -22.767 -1.766 -2.882 7 1HG MET 1 HG2 MET 1 -20.329 -1.804 -3.161 8 2HG MET 1 HG3 MET 1 -20.135 -1.496 -1.435 9 1HE MET 1 HE2 MET 1 -20.388 -3.958 -4.179 10 2HE MET 1 HE3 MET 1 -21.044 -5.441 -3.487 11 3HE MET 1 HE1 MET 1 -22.116 -4.084 -3.843 12 H ARG 2 HN ARG 2 -20.230 1.677 -3.357 13 HA ARG 2 HA ARG 2 -20.179 0.687 -6.020 14 1HB ARG 2 HB2 ARG 2 -20.688 3.002 -7.050 15 2HB ARG 2 HB3 ARG 2 -22.030 1.979 -6.580 16 1HG ARG 2 HG2 ARG 2 -22.261 3.274 -4.488 17 2HG ARG 2 HG3 ARG 2 -20.949 4.328 -5.025 18 1HD ARG 2 HD2 ARG 2 -23.008 5.415 -5.547 19 2HD ARG 2 HD3 ARG 2 -22.296 4.845 -7.054 20 HE ARG 2 HE ARG 2 -24.339 3.202 -5.712 21 1HH1 ARG 2 HH12 ARG 2 -23.418 5.216 -8.449 22 2HH1 ARG 2 HH11 ARG 2 -24.772 4.717 -9.424 23 1HH2 ARG 2 HH22 ARG 2 -26.110 2.562 -6.994 24 2HH2 ARG 2 HH21 ARG 2 -26.300 3.223 -8.590 25 H SER 3 HN SER 3 -19.297 3.320 -3.867 26 HA SER 3 HA SER 3 -16.507 3.015 -4.561 27 1HB SER 3 HB2 SER 3 -17.841 5.682 -5.151 28 2HB SER 3 HB3 SER 3 -16.122 5.318 -5.305 29 HG SER 3 HG SER 3 -17.424 3.507 -6.731 30 H SER 4 HN SER 4 -18.744 5.352 -3.029 31 HA SER 4 HA SER 4 -16.848 6.078 -1.033 32 1HB SER 4 HB2 SER 4 -19.750 6.788 -0.770 33 2HB SER 4 HB3 SER 4 -18.319 7.772 -0.472 34 HG SER 4 HG SER 4 -18.105 8.165 -2.618 35 H ALA 5 HN ALA 5 -16.927 5.761 1.122 36 HA ALA 5 HA ALA 5 -17.290 4.824 3.147 37 1HB ALA 5 HB2 ALA 5 -19.682 5.416 2.682 38 2HB ALA 5 HB3 ALA 5 -19.923 3.752 2.156 39 3HB ALA 5 HB1 ALA 5 -19.436 4.090 3.816 40 H LYS 6 HN LYS 6 -18.815 2.423 0.993 41 HA LYS 6 HA LYS 6 -17.643 0.245 2.391 42 1HB LYS 6 HB2 LYS 6 -19.392 0.529 -0.004 43 2HB LYS 6 HB3 LYS 6 -18.520 -0.986 0.182 44 1HG LYS 6 HG2 LYS 6 -20.306 0.204 2.301 45 2HG LYS 6 HG3 LYS 6 -20.831 -0.988 1.114 46 1HD LYS 6 HD2 LYS 6 -19.116 -2.553 1.948 47 2HD LYS 6 HD3 LYS 6 -18.647 -1.372 3.169 48 1HE LYS 6 HE2 LYS 6 -20.077 -2.643 4.411 49 2HE LYS 6 HE3 LYS 6 -21.219 -1.464 3.770 50 1HZ LYS 6 HZ2 LYS 6 -20.705 -4.074 2.453 51 2HZ LYS 6 HZ1 LYS 6 -21.908 -3.856 3.637 52 3HZ LYS 6 HZ3 LYS 6 -21.993 -3.000 2.174 53 H GLN 7 HN GLN 7 -15.757 -0.638 2.191 54 HA GLN 7 HA GLN 7 -13.793 -1.344 1.488 55 1HB GLN 7 HB2 GLN 7 -15.309 -1.902 -0.594 56 2HB GLN 7 HB3 GLN 7 -14.256 -0.726 -1.377 57 1HG GLN 7 HG2 GLN 7 -13.276 -2.847 -1.720 58 2HG GLN 7 HG3 GLN 7 -12.318 -2.025 -0.488 59 1HE2 GLN 7 HE22 GLN 7 -12.512 -5.237 1.021 60 2HE2 GLN 7 HE21 GLN 7 -11.588 -4.272 -0.077 61 H GLU 8 HN GLU 8 -14.403 1.719 1.743 62 HA GLU 8 HA GLU 8 -12.054 2.825 0.401 63 1HB GLU 8 HB2 GLU 8 -14.014 4.000 2.386 64 2HB GLU 8 HB3 GLU 8 -12.619 4.877 1.772 65 1HG GLU 8 HG2 GLU 8 -13.577 4.397 -0.556 66 2HG GLU 8 HG3 GLU 8 -15.066 3.974 0.290 67 H GLU 9 HN GLU 9 -12.426 0.715 2.764 68 HA GLU 9 HA GLU 9 -10.594 1.807 4.748 69 1HB GLU 9 HB2 GLU 9 -12.109 -0.801 4.713 70 2HB GLU 9 HB3 GLU 9 -11.148 -0.186 6.051 71 1HG GLU 9 HG2 GLU 9 -12.743 1.902 5.764 72 2HG GLU 9 HG3 GLU 9 -13.810 0.699 5.041 73 H LEU 10 HN LEU 10 -10.793 -0.749 2.325 74 HA LEU 10 HA LEU 10 -8.253 -1.918 2.839 75 1HB LEU 10 HB2 LEU 10 -9.704 -3.203 1.536 76 2HB LEU 10 HB3 LEU 10 -10.107 -1.866 0.479 77 HG LEU 10 HG LEU 10 -7.862 -2.011 -0.545 78 1HD1 LEU 10 HD13 LEU 10 -7.519 -4.233 1.441 79 2HD1 LEU 10 HD11 LEU 10 -6.577 -4.158 -0.047 80 3HD1 LEU 10 HD12 LEU 10 -6.464 -2.855 1.133 81 1HD2 LEU 10 HD21 LEU 10 -9.517 -4.520 -0.524 82 2HD2 LEU 10 HD22 LEU 10 -9.600 -3.176 -1.663 83 3HD2 LEU 10 HD23 LEU 10 -8.187 -4.234 -1.646 84 H VAL 11 HN VAL 11 -9.342 0.914 1.082 85 HA VAL 11 HA VAL 11 -6.794 1.395 -0.188 86 HB VAL 11 HB VAL 11 -9.276 3.109 0.054 87 1HG1 VAL 11 HG12 VAL 11 -6.575 3.806 -1.048 88 2HG1 VAL 11 HG13 VAL 11 -8.036 4.480 -1.776 89 3HG1 VAL 11 HG11 VAL 11 -7.680 4.785 -0.078 90 1HG2 VAL 11 HG22 VAL 11 -7.971 1.667 -2.259 91 2HG2 VAL 11 HG23 VAL 11 -9.490 1.241 -1.466 92 3HG2 VAL 11 HG21 VAL 11 -9.368 2.734 -2.393 93 H LYS 12 HN LYS 12 -8.544 3.086 2.532 94 HA LYS 12 HA LYS 12 -6.536 4.931 3.091 95 1HB LYS 12 HB2 LYS 12 -7.556 5.161 5.267 96 2HB LYS 12 HB3 LYS 12 -8.771 5.082 4.009 97 1HG LYS 12 HG2 LYS 12 -9.770 3.688 5.458 98 2HG LYS 12 HG3 LYS 12 -8.683 2.509 4.727 99 1HD LYS 12 HD2 LYS 12 -7.014 3.315 6.499 100 2HD LYS 12 HD3 LYS 12 -8.437 3.936 7.332 101 1HE LYS 12 HE2 LYS 12 -8.433 1.092 6.424 102 2HE LYS 12 HE3 LYS 12 -7.490 1.521 7.838 103 1HZ LYS 12 HZ2 LYS 12 -10.309 2.368 7.674 104 2HZ LYS 12 HZ1 LYS 12 -9.931 0.761 8.103 105 3HZ LYS 12 HZ3 LYS 12 -9.346 2.054 9.044 106 H ALA 13 HN ALA 13 -6.994 1.691 4.286 107 HA ALA 13 HA ALA 13 -4.780 1.511 6.022 108 1HB ALA 13 HB1 ALA 13 -6.563 -0.157 6.023 109 2HB ALA 13 HB2 ALA 13 -6.080 -0.696 4.416 110 3HB ALA 13 HB3 ALA 13 -4.993 -0.919 5.786 111 H PHE 14 HN PHE 14 -5.079 0.596 2.577 112 HA PHE 14 HA PHE 14 -2.525 -0.335 2.036 113 1HB PHE 14 HB2 PHE 14 -4.518 -0.306 0.487 114 2HB PHE 14 HB3 PHE 14 -4.192 1.358 0.165 115 HD1 PHE 14 HD2 PHE 14 -3.045 -2.067 -0.366 116 HD2 PHE 14 HD1 PHE 14 -2.342 2.039 -1.250 117 HE1 PHE 14 HE2 PHE 14 -1.517 -2.720 -2.167 118 HE2 PHE 14 HE1 PHE 14 -0.807 1.378 -3.070 119 HZ PHE 14 HZ PHE 14 -0.397 -1.001 -3.515 120 H LYS 15 HN LYS 15 -3.681 3.001 1.576 121 HA LYS 15 HA LYS 15 -1.309 4.242 0.848 122 1HB LYS 15 HB2 LYS 15 -3.322 5.539 2.705 123 2HB LYS 15 HB3 LYS 15 -2.243 6.343 1.581 124 1HG LYS 15 HG2 LYS 15 -4.510 4.556 0.752 125 2HG LYS 15 HG3 LYS 15 -4.629 6.295 0.903 126 1HD LYS 15 HD2 LYS 15 -2.430 6.023 -0.702 127 2HD LYS 15 HD3 LYS 15 -3.392 4.625 -1.186 128 1HE LYS 15 HE2 LYS 15 -3.808 6.675 -2.567 129 2HE LYS 15 HE3 LYS 15 -5.247 6.020 -1.785 130 1HZ LYS 15 HZ2 LYS 15 -3.774 8.098 -0.345 131 2HZ LYS 15 HZ1 LYS 15 -4.645 8.581 -1.729 132 3HZ LYS 15 HZ3 LYS 15 -5.452 7.809 -0.443 133 H ALA 16 HN ALA 16 -2.534 3.733 4.141 134 HA ALA 16 HA ALA 16 -0.459 5.002 5.548 135 1HB ALA 16 HB2 ALA 16 -2.530 2.978 6.321 136 2HB ALA 16 HB3 ALA 16 -1.276 3.454 7.464 137 3HB ALA 16 HB1 ALA 16 -2.374 4.664 6.807 138 H LEU 17 HN LEU 17 -0.837 1.595 4.573 139 HA LEU 17 HA LEU 17 1.362 0.501 5.922 140 1HB LEU 17 HB2 LEU 17 0.172 -0.285 3.253 141 2HB LEU 17 HB3 LEU 17 1.363 -1.235 4.107 142 HG LEU 17 HG LEU 17 -1.522 -0.847 4.697 143 1HD1 LEU 17 HD12 LEU 17 0.369 -3.181 4.806 144 2HD1 LEU 17 HD13 LEU 17 -1.350 -3.254 5.189 145 3HD1 LEU 17 HD11 LEU 17 -0.828 -2.841 3.558 146 1HD2 LEU 17 HD23 LEU 17 0.566 -1.383 6.798 147 2HD2 LEU 17 HD21 LEU 17 -0.658 -0.112 6.789 148 3HD2 LEU 17 HD22 LEU 17 -1.135 -1.796 6.989 149 H LEU 18 HN LEU 18 1.186 2.004 2.716 150 HA LEU 18 HA LEU 18 3.954 1.610 2.082 151 1HB LEU 18 HB2 LEU 18 2.075 3.686 0.957 152 2HB LEU 18 HB3 LEU 18 3.580 3.143 0.243 153 HG LEU 18 HG LEU 18 1.258 1.273 0.671 154 1HD1 LEU 18 HD11 LEU 18 1.789 3.212 -1.538 155 2HD1 LEU 18 HD12 LEU 18 0.927 1.704 -1.836 156 3HD1 LEU 18 HD13 LEU 18 0.283 2.878 -0.685 157 1HD2 LEU 18 HD22 LEU 18 3.559 0.347 0.249 158 2HD2 LEU 18 HD23 LEU 18 2.336 -0.102 -0.941 159 3HD2 LEU 18 HD21 LEU 18 3.509 1.158 -1.321 160 H LYS 19 HN LYS 19 2.118 4.465 3.147 161 HA LYS 19 HA LYS 19 4.268 6.230 3.284 162 1HB LYS 19 HB2 LYS 19 1.639 6.232 4.760 163 2HB LYS 19 HB3 LYS 19 2.765 7.585 4.760 164 1HG LYS 19 HG2 LYS 19 2.535 7.875 2.392 165 2HG LYS 19 HG3 LYS 19 1.584 6.395 2.244 166 1HD LYS 19 HD2 LYS 19 -0.250 7.640 2.477 167 2HD LYS 19 HD3 LYS 19 0.220 7.925 4.149 168 1HE LYS 19 HE2 LYS 19 1.084 9.630 1.809 169 2HE LYS 19 HE3 LYS 19 -0.262 10.002 2.882 170 1HZ LYS 19 HZ2 LYS 19 2.581 9.724 3.729 171 2HZ LYS 19 HZ1 LYS 19 1.753 11.191 3.502 172 3HZ LYS 19 HZ3 LYS 19 1.268 10.124 4.738 173 H GLU 20 HN GLU 20 3.516 3.666 5.455 174 HA GLU 20 HA GLU 20 4.845 4.741 7.775 175 1HB GLU 20 HB2 GLU 20 3.754 2.054 7.000 176 2HB GLU 20 HB3 GLU 20 4.856 2.161 8.362 177 1HG GLU 20 HG2 GLU 20 2.786 4.172 8.552 178 2HG GLU 20 HG3 GLU 20 2.091 2.563 8.362 179 H GLU 21 HN GLU 21 5.845 3.192 4.860 180 HA GLU 21 HA GLU 21 7.838 2.591 3.987 181 1HB GLU 21 HB2 GLU 21 9.213 4.022 6.261 182 2HB GLU 21 HB3 GLU 21 9.787 3.774 4.617 183 1HG GLU 21 HG2 GLU 21 7.602 5.174 4.044 184 2HG GLU 21 HG3 GLU 21 7.859 5.770 5.683 185 H LYS 22 HN LYS 22 7.133 0.429 4.689 186 HA LYS 22 HA LYS 22 9.167 -0.840 6.390 187 1HB LYS 22 HB2 LYS 22 7.485 -0.789 7.981 188 2HB LYS 22 HB3 LYS 22 6.196 -0.878 6.792 189 1HG LYS 22 HG2 LYS 22 6.405 -3.207 6.572 190 2HG LYS 22 HG3 LYS 22 7.988 -3.224 7.342 191 1HD LYS 22 HD2 LYS 22 7.029 -2.726 9.483 192 2HD LYS 22 HD3 LYS 22 5.441 -2.450 8.762 193 1HE LYS 22 HE2 LYS 22 5.698 -4.677 9.892 194 2HE LYS 22 HE3 LYS 22 5.212 -4.765 8.196 195 1HZ LYS 22 HZ3 LYS 22 8.069 -4.922 8.923 196 2HZ LYS 22 HZ2 LYS 22 7.086 -6.302 9.050 197 3HZ LYS 22 HZ1 LYS 22 7.275 -5.533 7.545 198 H PHE 23 HN PHE 23 6.414 -1.448 4.214 199 HA PHE 23 HA PHE 23 7.319 -4.068 3.514 200 1HB PHE 23 HB2 PHE 23 5.250 -2.383 2.103 201 2HB PHE 23 HB3 PHE 23 5.396 -4.142 2.074 202 HD1 PHE 23 HD1 PHE 23 5.013 -5.434 4.217 203 HD2 PHE 23 HD2 PHE 23 4.099 -1.298 3.857 204 HE1 PHE 23 HE1 PHE 23 3.625 -5.576 6.240 205 HE2 PHE 23 HE2 PHE 23 2.711 -1.432 5.884 206 HZ PHE 23 HZ PHE 23 2.461 -3.570 7.074 207 H SER 24 HN SER 24 8.666 -4.669 1.970 208 HA SER 24 HA SER 24 9.723 -2.679 0.112 209 1HB SER 24 HB2 SER 24 11.321 -4.850 -0.275 210 2HB SER 24 HB3 SER 24 11.600 -3.636 0.970 211 HG SER 24 HG SER 24 11.490 -6.057 1.510 212 H SER 25 HN SER 25 7.795 -5.560 0.075 213 HA SER 25 HA SER 25 7.708 -5.449 -2.873 214 1HB SER 25 HB2 SER 25 7.181 -8.037 -2.562 215 2HB SER 25 HB3 SER 25 8.839 -7.447 -2.635 216 HG SER 25 HG SER 25 9.069 -7.722 -0.496 217 H GLN 26 HN GLN 26 5.775 -6.572 -3.760 218 HA GLN 26 HA GLN 26 3.368 -5.378 -2.832 219 1HB GLN 26 HB2 GLN 26 3.403 -7.747 -4.687 220 2HB GLN 26 HB3 GLN 26 2.389 -6.336 -4.711 221 1HG GLN 26 HG2 GLN 26 4.225 -4.964 -5.510 222 2HG GLN 26 HG3 GLN 26 5.306 -6.350 -5.429 223 1HE2 GLN 26 HE22 GLN 26 4.020 -5.792 -8.905 224 2HE2 GLN 26 HE21 GLN 26 4.672 -4.725 -7.711 225 H GLY 27 HN GLY 27 4.226 -8.830 -3.103 226 1HA GLY 27 HA1 GLY 27 2.178 -10.020 -1.730 227 2HA GLY 27 HA2 GLY 27 3.815 -10.641 -1.719 228 H GLU 28 HN GLU 28 4.823 -8.255 -0.244 229 HA GLU 28 HA GLU 28 4.503 -9.198 2.410 230 1HB GLU 28 HB2 GLU 28 6.422 -7.783 1.267 231 2HB GLU 28 HB3 GLU 28 5.466 -6.418 1.811 232 1HG GLU 28 HG2 GLU 28 6.763 -6.597 3.641 233 2HG GLU 28 HG3 GLU 28 5.572 -7.809 4.109 234 H ILE 29 HN ILE 29 3.239 -6.301 0.737 235 HA ILE 29 HA ILE 29 1.652 -5.516 3.004 236 HB ILE 29 HB ILE 29 1.955 -3.556 2.074 237 1HG1 ILE 29 HG12 ILE 29 0.041 -4.391 -0.108 238 2HG1 ILE 29 HG13 ILE 29 -0.418 -3.761 1.478 239 1HG2 ILE 29 HG23 ILE 29 3.709 -4.422 0.640 240 2HG2 ILE 29 HG21 ILE 29 2.515 -4.808 -0.598 241 3HG2 ILE 29 HG22 ILE 29 2.810 -3.133 -0.152 242 1HD1 ILE 29 HD11 ILE 29 1.328 -1.853 0.542 243 2HD1 ILE 29 HD12 ILE 29 0.460 -2.349 -0.912 244 3HD1 ILE 29 HD13 ILE 29 -0.432 -1.762 0.493 245 H VAL 30 HN VAL 30 1.192 -7.676 0.387 246 HA VAL 30 HA VAL 30 -1.655 -7.672 0.198 247 HB VAL 30 HB VAL 30 0.323 -9.920 -0.310 248 1HG1 VAL 30 HG11 VAL 30 -2.612 -9.759 -0.948 249 2HG1 VAL 30 HG12 VAL 30 -1.516 -10.959 -1.623 250 3HG1 VAL 30 HG13 VAL 30 -1.819 -10.922 0.112 251 1HG2 VAL 30 HG21 VAL 30 0.320 -7.769 -1.759 252 2HG2 VAL 30 HG22 VAL 30 0.326 -9.340 -2.551 253 3HG2 VAL 30 HG23 VAL 30 -1.171 -8.426 -2.422 254 H ALA 31 HN ALA 31 0.615 -9.765 1.996 255 HA ALA 31 HA ALA 31 -1.347 -11.121 3.534 256 1HB ALA 31 HB3 ALA 31 1.605 -10.720 4.020 257 2HB ALA 31 HB1 ALA 31 0.573 -11.786 4.975 258 3HB ALA 31 HB2 ALA 31 0.822 -12.107 3.259 259 H ALA 32 HN ALA 32 0.426 -8.103 4.011 260 HA ALA 32 HA ALA 32 -0.087 -7.680 6.734 261 1HB ALA 32 HB2 ALA 32 1.510 -6.379 5.328 262 2HB ALA 32 HB3 ALA 32 0.133 -5.513 4.649 263 3HB ALA 32 HB1 ALA 32 0.490 -5.392 6.372 264 H LEU 33 HN LEU 33 -2.023 -6.618 3.898 265 HA LEU 33 HA LEU 33 -4.038 -5.397 5.533 266 1HB LEU 33 HB2 LEU 33 -4.092 -6.118 2.603 267 2HB LEU 33 HB3 LEU 33 -5.369 -5.232 3.431 268 HG LEU 33 HG LEU 33 -2.514 -4.247 3.308 269 1HD1 LEU 33 HD12 LEU 33 -4.623 -4.124 1.273 270 2HD1 LEU 33 HD13 LEU 33 -3.883 -2.569 1.664 271 3HD1 LEU 33 HD11 LEU 33 -2.881 -3.920 1.118 272 1HD2 LEU 33 HD22 LEU 33 -5.126 -2.913 4.000 273 2HD2 LEU 33 HD23 LEU 33 -3.809 -3.296 5.109 274 3HD2 LEU 33 HD21 LEU 33 -3.575 -2.089 3.849 275 H GLN 34 HN GLN 34 -3.591 -8.632 4.179 276 HA GLN 34 HA GLN 34 -6.216 -9.599 4.661 277 1HB GLN 34 HB2 GLN 34 -3.542 -10.949 4.422 278 2HB GLN 34 HB3 GLN 34 -4.966 -11.866 4.890 279 1HG GLN 34 HG2 GLN 34 -6.067 -10.946 2.798 280 2HG GLN 34 HG3 GLN 34 -4.461 -10.411 2.312 281 1HE2 GLN 34 HE22 GLN 34 -3.591 -13.513 1.050 282 2HE2 GLN 34 HE21 GLN 34 -3.348 -11.802 1.120 283 H GLU 35 HN GLU 35 -3.398 -9.224 6.741 284 HA GLU 35 HA GLU 35 -4.569 -10.524 9.031 285 1HB GLU 35 HB2 GLU 35 -2.147 -8.734 8.718 286 2HB GLU 35 HB3 GLU 35 -2.619 -9.465 10.244 287 1HG GLU 35 HG2 GLU 35 -2.096 -11.119 7.792 288 2HG GLU 35 HG3 GLU 35 -0.799 -10.610 8.876 289 H GLN 36 HN GLN 36 -4.452 -7.259 7.757 290 HA GLN 36 HA GLN 36 -5.138 -5.794 10.069 291 1HB GLN 36 HB2 GLN 36 -5.376 -5.272 7.127 292 2HB GLN 36 HB3 GLN 36 -6.078 -4.155 8.273 293 1HG GLN 36 HG2 GLN 36 -3.277 -4.933 8.782 294 2HG GLN 36 HG3 GLN 36 -3.563 -3.969 7.338 295 1HE2 GLN 36 HE22 GLN 36 -3.726 -1.013 9.117 296 2HE2 GLN 36 HE21 GLN 36 -3.422 -1.856 7.641 297 H GLY 37 HN GLY 37 -7.200 -7.179 7.510 298 1HA GLY 37 HA1 GLY 37 -9.317 -8.064 8.871 299 2HA GLY 37 HA2 GLY 37 -9.616 -6.332 8.925 300 H PHE 38 HN PHE 38 -8.099 -7.658 6.078 301 HA PHE 38 HA PHE 38 -10.644 -7.249 4.620 302 1HB PHE 38 HB2 PHE 38 -7.823 -6.905 3.583 303 2HB PHE 38 HB3 PHE 38 -9.318 -6.532 2.721 304 HD1 PHE 38 HD1 PHE 38 -10.852 -4.753 3.708 305 HD2 PHE 38 HD2 PHE 38 -6.857 -5.318 5.052 306 HE1 PHE 38 HE1 PHE 38 -10.862 -2.523 4.744 307 HE2 PHE 38 HE2 PHE 38 -6.871 -3.105 6.077 308 HZ PHE 38 HZ PHE 38 -8.865 -1.699 5.918 309 H ASP 39 HN ASP 39 -11.213 -8.640 2.959 310 HA ASP 39 HA ASP 39 -9.735 -11.130 2.680 311 1HB ASP 39 HB2 ASP 39 -11.688 -11.384 4.288 312 2HB ASP 39 HB3 ASP 39 -12.728 -11.090 2.908 313 H ASN 40 HN ASN 40 -9.503 -11.691 0.730 314 HA ASN 40 HA ASN 40 -9.941 -12.072 -1.549 315 1HB ASN 40 HB2 ASN 40 -12.344 -11.179 -1.233 316 2HB ASN 40 HB3 ASN 40 -11.690 -9.599 -1.654 317 1HD2 ASN 40 HD22 ASN 40 -11.872 -12.522 -4.515 318 2HD2 ASN 40 HD21 ASN 40 -11.750 -12.945 -2.839 319 H ILE 41 HN ILE 41 -7.873 -10.840 -0.211 320 HA ILE 41 HA ILE 41 -7.095 -8.571 -1.920 321 HB ILE 41 HB ILE 41 -6.517 -9.276 0.903 322 1HG1 ILE 41 HG12 ILE 41 -6.701 -6.901 1.211 323 2HG1 ILE 41 HG13 ILE 41 -6.522 -6.610 -0.516 324 1HG2 ILE 41 HG22 ILE 41 -4.424 -8.112 -0.903 325 2HG2 ILE 41 HG23 ILE 41 -4.470 -7.767 0.826 326 3HG2 ILE 41 HG21 ILE 41 -4.275 -9.426 0.267 327 1HD1 ILE 41 HD12 ILE 41 -8.838 -8.141 0.599 328 2HD1 ILE 41 HD13 ILE 41 -8.833 -6.386 0.454 329 3HD1 ILE 41 HD11 ILE 41 -8.663 -7.385 -0.986 330 H ASN 42 HN ASN 42 -5.927 -9.110 -3.577 331 HA ASN 42 HA ASN 42 -4.047 -11.395 -3.420 332 1HB ASN 42 HB2 ASN 42 -4.425 -11.501 -5.973 333 2HB ASN 42 HB3 ASN 42 -5.709 -12.097 -4.931 334 1HD2 ASN 42 HD22 ASN 42 -8.083 -9.775 -5.962 335 2HD2 ASN 42 HD21 ASN 42 -7.660 -11.081 -4.907 336 H GLN 43 HN GLN 43 -2.228 -11.269 -5.008 337 HA GLN 43 HA GLN 43 -0.760 -8.899 -4.635 338 1HB GLN 43 HB2 GLN 43 0.023 -11.353 -5.198 339 2HB GLN 43 HB3 GLN 43 -0.024 -10.766 -6.855 340 1HG GLN 43 HG2 GLN 43 1.569 -9.040 -6.347 341 2HG GLN 43 HG3 GLN 43 1.512 -9.429 -4.631 342 1HE2 GLN 43 HE22 GLN 43 3.617 -11.807 -7.199 343 2HE2 GLN 43 HE21 GLN 43 2.357 -10.778 -7.785 344 H SER 44 HN SER 44 -2.898 -9.870 -7.238 345 HA SER 44 HA SER 44 -2.061 -8.032 -9.193 346 1HB SER 44 HB2 SER 44 -4.876 -8.971 -8.920 347 2HB SER 44 HB3 SER 44 -3.959 -8.658 -10.369 348 HG SER 44 HG SER 44 -3.318 -10.645 -10.367 349 H LYS 45 HN LYS 45 -4.482 -7.822 -6.623 350 HA LYS 45 HA LYS 45 -5.408 -5.200 -7.277 351 1HB LYS 45 HB2 LYS 45 -6.319 -7.163 -5.625 352 2HB LYS 45 HB3 LYS 45 -5.594 -6.086 -4.445 353 1HG LYS 45 HG2 LYS 45 -7.247 -4.588 -4.631 354 2HG LYS 45 HG3 LYS 45 -7.304 -4.712 -6.390 355 1HD LYS 45 HD2 LYS 45 -8.752 -6.557 -6.330 356 2HD LYS 45 HD3 LYS 45 -8.385 -6.901 -4.639 357 1HE LYS 45 HE2 LYS 45 -10.644 -5.885 -5.105 358 2HE LYS 45 HE3 LYS 45 -9.671 -5.081 -3.876 359 1HZ LYS 45 HZ1 LYS 45 -9.782 -4.188 -6.711 360 2HZ LYS 45 HZ3 LYS 45 -10.821 -3.589 -5.504 361 3HZ LYS 45 HZ2 LYS 45 -9.141 -3.342 -5.379 362 H VAL 46 HN VAL 46 -2.808 -6.456 -5.304 363 HA VAL 46 HA VAL 46 -2.136 -3.973 -4.013 364 HB VAL 46 HB VAL 46 -0.820 -6.668 -4.158 365 1HG1 VAL 46 HG11 VAL 46 1.002 -5.031 -4.131 366 2HG1 VAL 46 HG12 VAL 46 0.282 -4.263 -2.716 367 3HG1 VAL 46 HG13 VAL 46 0.891 -5.909 -2.618 368 1HG2 VAL 46 HG23 VAL 46 -2.344 -5.068 -2.141 369 2HG2 VAL 46 HG21 VAL 46 -2.537 -6.754 -2.615 370 3HG2 VAL 46 HG22 VAL 46 -1.184 -6.272 -1.592 371 H SER 47 HN SER 47 -0.854 -5.791 -6.806 372 HA SER 47 HA SER 47 1.245 -3.940 -7.359 373 1HB SER 47 HB2 SER 47 1.225 -5.075 -9.653 374 2HB SER 47 HB3 SER 47 1.521 -6.111 -8.261 375 HG SER 47 HG SER 47 -0.478 -6.961 -8.426 376 H ARG 48 HN ARG 48 -2.119 -4.217 -8.440 377 HA ARG 48 HA ARG 48 -1.972 -2.168 -10.417 378 1HB ARG 48 HB2 ARG 48 -4.229 -3.563 -9.009 379 2HB ARG 48 HB3 ARG 48 -4.568 -2.123 -9.959 380 1HG ARG 48 HG2 ARG 48 -3.364 -4.708 -10.938 381 2HG ARG 48 HG3 ARG 48 -4.949 -4.033 -11.327 382 1HD ARG 48 HD2 ARG 48 -3.423 -1.988 -12.132 383 2HD ARG 48 HD3 ARG 48 -2.252 -3.293 -12.335 384 HE ARG 48 HE ARG 48 -4.797 -3.894 -13.528 385 1HH1 ARG 48 HH12 ARG 48 -1.785 -2.161 -14.015 386 2HH1 ARG 48 HH11 ARG 48 -1.886 -2.199 -15.756 387 1HH2 ARG 48 HH22 ARG 48 -4.933 -3.968 -15.818 388 2HH2 ARG 48 HH21 ARG 48 -3.680 -3.229 -16.782 389 H MET 49 HN MET 49 -2.946 -2.138 -6.983 390 HA MET 49 HA MET 49 -3.670 0.595 -6.902 391 1HB MET 49 HB2 MET 49 -3.005 -1.440 -4.812 392 2HB MET 49 HB3 MET 49 -3.068 0.252 -4.347 393 1HG MET 49 HG2 MET 49 -5.364 0.341 -5.369 394 2HG MET 49 HG3 MET 49 -5.278 -1.410 -5.509 395 1HE MET 49 HE1 MET 49 -5.661 -3.035 -3.779 396 2HE MET 49 HE2 MET 49 -4.190 -2.671 -2.875 397 3HE MET 49 HE3 MET 49 -5.740 -2.755 -2.040 398 H LEU 50 HN LEU 50 -0.549 -1.018 -6.553 399 HA LEU 50 HA LEU 50 0.917 1.166 -5.533 400 1HB LEU 50 HB2 LEU 50 1.665 -1.301 -7.079 401 2HB LEU 50 HB3 LEU 50 2.871 -0.056 -6.804 402 HG LEU 50 HG LEU 50 1.326 -1.209 -4.512 403 1HD1 LEU 50 HD11 LEU 50 3.636 -2.442 -5.961 404 2HD1 LEU 50 HD12 LEU 50 3.400 -2.710 -4.235 405 3HD1 LEU 50 HD13 LEU 50 2.156 -3.200 -5.379 406 1HD2 LEU 50 HD23 LEU 50 3.986 0.140 -4.796 407 2HD2 LEU 50 HD21 LEU 50 2.554 0.711 -3.931 408 3HD2 LEU 50 HD22 LEU 50 3.458 -0.676 -3.326 409 H THR 51 HN THR 51 0.404 0.063 -8.899 410 HA THR 51 HA THR 51 1.814 2.235 -10.103 411 HB THR 51 HB THR 51 -0.344 0.610 -11.460 412 HG1 THR 51 HG1 THR 51 2.305 -0.167 -10.786 413 1HG2 THR 51 HG23 THR 51 0.891 2.501 -12.664 414 2HG2 THR 51 HG22 THR 51 2.291 1.431 -12.626 415 3HG2 THR 51 HG21 THR 51 0.816 0.925 -13.450 416 H LYS 52 HN LYS 52 -1.605 1.608 -9.413 417 HA LYS 52 HA LYS 52 -2.793 3.800 -10.679 418 1HB LYS 52 HB2 LYS 52 -3.994 1.845 -9.690 419 2HB LYS 52 HB3 LYS 52 -3.661 2.484 -8.085 420 1HG LYS 52 HG2 LYS 52 -4.893 4.596 -9.411 421 2HG LYS 52 HG3 LYS 52 -5.754 3.161 -9.973 422 1HD LYS 52 HD2 LYS 52 -5.869 2.497 -7.489 423 2HD LYS 52 HD3 LYS 52 -5.433 4.175 -7.161 424 1HE LYS 52 HE2 LYS 52 -7.867 3.157 -8.628 425 2HE LYS 52 HE3 LYS 52 -7.827 3.992 -7.076 426 1HZ LYS 52 HZ2 LYS 52 -6.879 5.939 -8.305 427 2HZ LYS 52 HZ1 LYS 52 -7.240 5.123 -9.759 428 3HZ LYS 52 HZ3 LYS 52 -8.495 5.557 -8.690 429 H PHE 53 HN PHE 53 -1.814 3.509 -7.263 430 HA PHE 53 HA PHE 53 -2.299 6.275 -6.683 431 1HB PHE 53 HB2 PHE 53 -0.986 4.031 -5.140 432 2HB PHE 53 HB3 PHE 53 -1.159 5.654 -4.490 433 HD1 PHE 53 HD1 PHE 53 -3.827 6.471 -5.269 434 HD2 PHE 53 HD2 PHE 53 -2.470 2.627 -4.015 435 HE1 PHE 53 HE1 PHE 53 -6.092 5.919 -4.494 436 HE2 PHE 53 HE2 PHE 53 -4.726 2.084 -3.234 437 HZ PHE 53 HZ PHE 53 -6.544 3.724 -3.475 438 H GLY 54 HN GLY 54 0.434 4.531 -7.908 439 1HA GLY 54 HA1 GLY 54 2.412 5.375 -8.769 440 2HA GLY 54 HA2 GLY 54 1.935 6.976 -8.230 441 H ALA 55 HN ALA 55 2.650 3.876 -6.601 442 HA ALA 55 HA ALA 55 3.972 5.230 -4.419 443 1HB ALA 55 HB2 ALA 55 2.591 3.215 -4.064 444 2HB ALA 55 HB3 ALA 55 3.772 2.273 -4.973 445 3HB ALA 55 HB1 ALA 55 4.233 3.030 -3.448 446 H VAL 56 HN VAL 56 6.111 5.453 -4.060 447 HA VAL 56 HA VAL 56 8.001 4.446 -6.099 448 HB VAL 56 HB VAL 56 9.500 6.242 -5.483 449 1HG1 VAL 56 HG12 VAL 56 7.162 6.603 -6.831 450 2HG1 VAL 56 HG13 VAL 56 7.052 7.863 -5.600 451 3HG1 VAL 56 HG11 VAL 56 8.436 7.814 -6.691 452 1HG2 VAL 56 HG22 VAL 56 7.632 6.598 -3.195 453 2HG2 VAL 56 HG23 VAL 56 9.392 6.708 -3.251 454 3HG2 VAL 56 HG21 VAL 56 8.405 8.034 -3.861 455 H ARG 57 HN ARG 57 10.209 3.894 -5.241 456 HA ARG 57 HA ARG 57 10.018 2.606 -2.580 457 1HB ARG 57 HB2 ARG 57 12.031 1.668 -4.591 458 2HB ARG 57 HB3 ARG 57 11.259 0.797 -3.273 459 1HG ARG 57 HG2 ARG 57 9.103 1.153 -4.740 460 2HG ARG 57 HG3 ARG 57 10.282 1.308 -6.036 461 1HD ARG 57 HD2 ARG 57 9.365 -1.059 -4.595 462 2HD ARG 57 HD3 ARG 57 10.124 -0.933 -6.173 463 HE ARG 57 HE ARG 57 11.364 -1.666 -3.712 464 1HH1 ARG 57 HH12 ARG 57 11.999 -0.099 -6.779 465 2HH1 ARG 57 HH11 ARG 57 13.703 -0.461 -6.753 466 1HH2 ARG 57 HH22 ARG 57 13.575 -2.139 -3.666 467 2HH2 ARG 57 HH21 ARG 57 14.603 -1.621 -4.982 468 H THR 58 HN THR 58 11.546 3.150 -1.070 469 HA THR 58 HA THR 58 14.055 4.352 -1.870 470 HB THR 58 HB THR 58 12.215 6.188 -1.950 471 HG1 THR 58 HG1 THR 58 13.789 7.572 -1.690 472 1HG2 THR 58 HG22 THR 58 11.362 5.548 0.390 473 2HG2 THR 58 HG21 THR 58 12.752 6.457 0.977 474 3HG2 THR 58 HG23 THR 58 11.538 7.251 -0.020 475 H ARG 59 HN ARG 59 15.145 5.341 0.192 476 HA ARG 59 HA ARG 59 15.415 3.191 2.079 477 1HB ARG 59 HB2 ARG 59 17.480 4.100 1.823 478 2HB ARG 59 HB3 ARG 59 16.851 5.682 1.398 479 1HG ARG 59 HG2 ARG 59 16.624 6.309 3.673 480 2HG ARG 59 HG3 ARG 59 16.912 4.657 4.224 481 1HD ARG 59 HD2 ARG 59 18.880 6.063 4.552 482 2HD ARG 59 HD3 ARG 59 19.205 4.761 3.416 483 HE ARG 59 HE ARG 59 18.998 7.628 2.812 484 1HH1 ARG 59 HH12 ARG 59 19.549 4.361 1.651 485 2HH1 ARG 59 HH11 ARG 59 20.229 4.872 0.134 486 1HH2 ARG 59 HH22 ARG 59 19.908 8.304 0.818 487 2HH2 ARG 59 HH21 ARG 59 20.443 7.110 -0.333 488 H ASN 60 HN ASN 60 14.432 2.977 4.007 489 HA ASN 60 HA ASN 60 12.591 5.039 4.903 490 1HB ASN 60 HB2 ASN 60 11.713 3.373 6.450 491 2HB ASN 60 HB3 ASN 60 11.817 2.718 4.826 492 1HD2 ASN 60 HD22 ASN 60 12.951 0.014 6.912 493 2HD2 ASN 60 HD21 ASN 60 11.497 0.838 6.469 494 H ALA 61 HN ALA 61 12.834 4.041 7.728 495 HA ALA 61 HA ALA 61 14.556 6.117 8.654 496 1HB ALA 61 HB2 ALA 61 13.032 3.978 10.132 497 2HB ALA 61 HB3 ALA 61 13.916 5.288 10.915 498 3HB ALA 61 HB1 ALA 61 12.546 5.653 9.866 499 H LYS 62 HN LYS 62 15.070 2.716 8.054 500 HA LYS 62 HA LYS 62 17.708 2.934 9.360 501 1HB LYS 62 HB2 LYS 62 15.963 0.459 9.349 502 2HB LYS 62 HB3 LYS 62 17.600 0.568 9.988 503 1HG LYS 62 HG2 LYS 62 16.581 0.929 11.947 504 2HG LYS 62 HG3 LYS 62 16.404 2.579 11.357 505 1HD LYS 62 HD2 LYS 62 14.202 2.350 11.630 506 2HD LYS 62 HD3 LYS 62 14.216 1.225 10.273 507 1HE LYS 62 HE2 LYS 62 13.104 0.197 12.144 508 2HE LYS 62 HE3 LYS 62 14.637 -0.625 11.862 509 1HZ LYS 62 HZ3 LYS 62 14.541 1.574 13.821 510 2HZ LYS 62 HZ2 LYS 62 13.922 0.048 14.262 511 3HZ LYS 62 HZ1 LYS 62 15.546 0.200 13.781 512 H MET 63 HN MET 63 17.533 3.579 6.747 513 HA MET 63 HA MET 63 18.500 3.205 4.729 514 1HB MET 63 HB2 MET 63 20.167 1.062 6.022 515 2HB MET 63 HB3 MET 63 20.631 2.232 4.802 516 1HG MET 63 HG2 MET 63 20.026 3.912 6.799 517 2HG MET 63 HG3 MET 63 20.528 2.505 7.723 518 1HE MET 63 HE1 MET 63 22.597 1.089 6.338 519 2HE MET 63 HE2 MET 63 24.151 1.917 6.388 520 3HE MET 63 HE3 MET 63 23.212 1.715 7.865 521 H GLU 64 HN GLU 64 16.153 1.409 5.294 522 HA GLU 64 HA GLU 64 16.873 -0.876 3.577 523 1HB GLU 64 HB2 GLU 64 14.630 -0.465 5.542 524 2HB GLU 64 HB3 GLU 64 14.582 -1.749 4.345 525 1HG GLU 64 HG2 GLU 64 16.922 -1.438 6.196 526 2HG GLU 64 HG3 GLU 64 15.459 -2.276 6.707 527 H MET 65 HN MET 65 16.138 -1.020 1.562 528 HA MET 65 HA MET 65 14.641 1.123 0.375 529 1HB MET 65 HB2 MET 65 15.877 -1.419 -0.626 530 2HB MET 65 HB3 MET 65 14.670 -0.624 -1.622 531 1HG MET 65 HG2 MET 65 16.988 0.927 -0.551 532 2HG MET 65 HG3 MET 65 17.169 -0.090 -1.982 533 1HE MET 65 HE2 MET 65 16.760 3.322 -0.885 534 2HE MET 65 HE3 MET 65 17.813 2.984 -2.254 535 3HE MET 65 HE1 MET 65 16.440 4.071 -2.451 536 H VAL 66 HN VAL 66 12.520 1.284 0.879 537 HA VAL 66 HA VAL 66 10.813 -1.077 0.469 538 HB VAL 66 HB VAL 66 9.405 -0.415 2.406 539 1HG1 VAL 66 HG11 VAL 66 12.289 -1.099 2.982 540 2HG1 VAL 66 HG12 VAL 66 10.998 -1.187 4.173 541 3HG1 VAL 66 HG13 VAL 66 10.944 -2.213 2.741 542 1HG2 VAL 66 HG22 VAL 66 11.598 1.606 2.810 543 2HG2 VAL 66 HG23 VAL 66 9.855 1.869 2.734 544 3HG2 VAL 66 HG21 VAL 66 10.568 1.062 4.131 545 H TYR 67 HN TYR 67 8.497 -0.488 0.308 546 HA TYR 67 HA TYR 67 8.089 1.517 -1.683 547 1HB TYR 67 HB2 TYR 67 6.383 -0.515 -0.292 548 2HB TYR 67 HB3 TYR 67 5.573 0.834 -1.065 549 HD1 TYR 67 HD2 TYR 67 7.015 1.247 -3.538 550 HD2 TYR 67 HD1 TYR 67 5.962 -2.385 -1.582 551 HE1 TYR 67 HE2 TYR 67 7.031 0.083 -5.701 552 HE2 TYR 67 HE1 TYR 67 5.963 -3.560 -3.744 553 HH TYR 67 HH TYR 67 6.795 -3.377 -5.933 554 H CYS 68 HN CYS 68 7.071 3.469 -1.520 555 HA CYS 68 HA CYS 68 5.816 4.317 0.955 556 1HB CYS 68 HB2 CYS 68 7.183 6.446 0.999 557 2HB CYS 68 HB3 CYS 68 8.058 4.999 1.464 558 HG CYS 68 HG CYS 68 8.952 6.839 -0.626 559 H LEU 69 HN LEU 69 4.860 6.566 0.670 560 HA LEU 69 HA LEU 69 3.803 6.732 -2.081 561 1HB LEU 69 HB2 LEU 69 2.375 6.306 0.130 562 2HB LEU 69 HB3 LEU 69 2.417 8.057 0.198 563 HG LEU 69 HG LEU 69 1.514 8.052 -2.175 564 1HD1 LEU 69 HD13 LEU 69 2.054 5.326 -1.999 565 2HD1 LEU 69 HD11 LEU 69 0.299 5.431 -1.874 566 3HD1 LEU 69 HD12 LEU 69 1.128 6.138 -3.263 567 1HD2 LEU 69 HD23 LEU 69 -0.131 6.898 0.076 568 2HD2 LEU 69 HD21 LEU 69 0.105 8.603 -0.307 569 3HD2 LEU 69 HD22 LEU 69 -0.792 7.568 -1.416 570 HA PRO 70 HA PRO 70 5.596 10.884 -2.145 571 1HB PRO 70 HB2 PRO 70 5.350 11.332 -4.743 572 2HB PRO 70 HB3 PRO 70 6.436 10.061 -4.182 573 1HG PRO 70 HG2 PRO 70 3.661 9.822 -5.287 574 2HG PRO 70 HG3 PRO 70 5.093 8.846 -5.651 575 1HD PRO 70 HD2 PRO 70 3.098 8.167 -3.839 576 2HD PRO 70 HD3 PRO 70 4.730 7.476 -3.863 577 H ALA 71 HN ALA 71 4.458 12.751 -3.930 578 HA ALA 71 HA ALA 71 2.048 13.535 -2.565 579 1HB ALA 71 HB2 ALA 71 3.950 14.820 -4.258 580 2HB ALA 71 HB3 ALA 71 2.347 15.061 -4.944 581 3HB ALA 71 HB1 ALA 71 2.677 15.542 -3.283 582 H GLU 72 HN GLU 72 -0.002 13.990 -3.785 583 HA GLU 72 HA GLU 72 -1.048 11.680 -4.888 584 1HB GLU 72 HB2 GLU 72 -2.087 14.492 -5.286 585 2HB GLU 72 HB3 GLU 72 -3.010 13.006 -5.480 586 1HG GLU 72 HG2 GLU 72 -2.122 12.660 -2.964 587 2HG GLU 72 HG3 GLU 72 -2.177 14.423 -3.022 588 H LEU 73 HN LEU 73 -0.371 10.720 -6.661 589 HA LEU 73 HA LEU 73 0.269 12.285 -9.068 590 1HB LEU 73 HB2 LEU 73 1.227 9.658 -7.988 591 2HB LEU 73 HB3 LEU 73 1.213 9.886 -9.728 592 HG LEU 73 HG LEU 73 2.631 11.769 -7.840 593 1HD1 LEU 73 HD11 LEU 73 3.632 9.307 -9.250 594 2HD1 LEU 73 HD12 LEU 73 4.703 10.587 -8.675 595 3HD1 LEU 73 HD13 LEU 73 3.709 9.684 -7.530 596 1HD2 LEU 73 HD23 LEU 73 2.077 12.693 -10.041 597 2HD2 LEU 73 HD21 LEU 73 3.814 12.470 -9.848 598 3HD2 LEU 73 HD22 LEU 73 2.881 11.327 -10.815 599 H GLY 74 HN GLY 74 -1.686 12.566 -10.007 600 1HA GLY 74 HA1 GLY 74 -2.843 10.338 -11.412 601 2HA GLY 74 HA2 GLY 74 -3.881 10.927 -10.121 602 H VAL 75 HN VAL 75 -3.841 13.525 -10.144 603 HA VAL 75 HA VAL 75 -3.732 14.774 -12.692 604 HB VAL 75 HB VAL 75 -5.773 13.565 -13.142 605 1HG1 VAL 75 HG23 VAL 75 -6.445 13.246 -10.750 606 2HG1 VAL 75 HG21 VAL 75 -7.058 14.900 -10.767 607 3HG1 VAL 75 HG22 VAL 75 -7.759 13.689 -11.837 608 1HG2 VAL 75 HG13 VAL 75 -5.582 15.849 -14.015 609 2HG2 VAL 75 HG11 VAL 75 -7.256 15.382 -13.720 610 3HG2 VAL 75 HG12 VAL 75 -6.431 16.456 -12.592 611 HA PRO 76 HA PRO 76 -3.392 17.991 -9.585 612 1HB PRO 76 HB2 PRO 76 -2.543 19.975 -11.199 613 2HB PRO 76 HB3 PRO 76 -1.508 18.606 -10.776 614 1HG PRO 76 HG2 PRO 76 -3.081 19.089 -13.280 615 2HG PRO 76 HG3 PRO 76 -1.433 18.460 -13.096 616 1HD PRO 76 HD2 PRO 76 -3.643 16.885 -13.519 617 2HD PRO 76 HD3 PRO 76 -2.166 16.319 -12.715 618 H THR 77 HN THR 77 -5.758 17.901 -9.313 619 HA THR 77 HA THR 77 -7.455 19.533 -10.955 620 HB THR 77 HB THR 77 -8.034 17.409 -9.555 621 HG1 THR 77 HG1 THR 77 -9.566 18.572 -10.733 622 1HG2 THR 77 HG21 THR 77 -7.317 18.378 -7.339 623 2HG2 THR 77 HG23 THR 77 -8.757 19.398 -7.414 624 3HG2 THR 77 HG22 THR 77 -8.915 17.642 -7.392 625 H THR 78 HN THR 78 -5.480 20.138 -8.181 626 HA THR 78 HA THR 78 -6.312 22.933 -8.200 627 HB THR 78 HB THR 78 -7.688 22.054 -6.422 628 HG1 THR 78 HG1 THR 78 -6.657 24.058 -5.994 629 1HG2 THR 78 HG22 THR 78 -5.192 20.859 -5.248 630 2HG2 THR 78 HG21 THR 78 -6.726 21.020 -4.396 631 3HG2 THR 78 HG23 THR 78 -6.617 20.005 -5.832 No H/Q in entry = 631 Start of MODEL 16 1 1H MET 1 HT2 MET 1 -21.514 13.323 1.290 2 2H MET 1 HT1 MET 1 -22.101 14.604 2.279 3 3H MET 1 HT3 MET 1 -20.404 14.393 2.056 4 HA MET 1 HA MET 1 -20.569 13.418 4.012 5 1HB MET 1 HB2 MET 1 -22.916 13.982 4.321 6 2HB MET 1 HB3 MET 1 -23.406 12.680 3.248 7 1HG MET 1 HG2 MET 1 -23.740 12.185 5.646 8 2HG MET 1 HG3 MET 1 -22.705 11.024 4.822 9 1HE MET 1 HE3 MET 1 -23.406 12.960 7.675 10 2HE MET 1 HE1 MET 1 -21.924 13.137 8.605 11 3HE MET 1 HE2 MET 1 -22.340 14.325 7.371 12 H ARG 2 HN ARG 2 -19.156 11.796 3.956 13 HA ARG 2 HA ARG 2 -19.893 9.286 2.587 14 1HB ARG 2 HB2 ARG 2 -17.088 10.429 2.634 15 2HB ARG 2 HB3 ARG 2 -17.653 9.010 1.761 16 1HG ARG 2 HG2 ARG 2 -19.041 10.437 0.334 17 2HG ARG 2 HG3 ARG 2 -18.457 11.860 1.199 18 1HD ARG 2 HD2 ARG 2 -16.988 11.899 -0.529 19 2HD ARG 2 HD3 ARG 2 -16.100 10.825 0.546 20 HE ARG 2 HE ARG 2 -16.475 9.071 -0.897 21 1HH1 ARG 2 HH12 ARG 2 -18.423 11.834 -1.858 22 2HH1 ARG 2 HH11 ARG 2 -18.864 11.145 -3.392 23 1HH2 ARG 2 HH22 ARG 2 -17.058 8.169 -2.919 24 2HH2 ARG 2 HH21 ARG 2 -18.100 9.072 -3.993 25 H SER 3 HN SER 3 -19.563 7.485 3.733 26 HA SER 3 HA SER 3 -18.193 7.692 6.351 27 1HB SER 3 HB2 SER 3 -19.817 5.463 6.568 28 2HB SER 3 HB3 SER 3 -20.194 7.067 7.192 29 HG SER 3 HG SER 3 -21.623 7.380 5.635 30 H SER 4 HN SER 4 -19.188 5.168 4.033 31 HA SER 4 HA SER 4 -16.430 4.298 3.698 32 1HB SER 4 HB2 SER 4 -18.566 2.521 4.913 33 2HB SER 4 HB3 SER 4 -17.110 1.882 4.146 34 HG SER 4 HG SER 4 -17.413 3.227 6.573 35 H ALA 5 HN ALA 5 -16.660 4.936 1.559 36 HA ALA 5 HA ALA 5 -18.873 4.024 -0.076 37 1HB ALA 5 HB2 ALA 5 -16.384 5.569 -0.792 38 2HB ALA 5 HB3 ALA 5 -17.736 5.254 -1.879 39 3HB ALA 5 HB1 ALA 5 -17.972 6.239 -0.437 40 H LYS 6 HN LYS 6 -18.605 1.762 0.044 41 HA LYS 6 HA LYS 6 -17.910 -0.303 -0.492 42 1HB LYS 6 HB2 LYS 6 -17.470 1.321 -2.965 43 2HB LYS 6 HB3 LYS 6 -17.252 -0.421 -2.960 44 1HG LYS 6 HG2 LYS 6 -19.788 0.933 -2.073 45 2HG LYS 6 HG3 LYS 6 -19.506 0.407 -3.730 46 1HD LYS 6 HD2 LYS 6 -18.926 -1.887 -2.494 47 2HD LYS 6 HD3 LYS 6 -19.991 -1.198 -1.267 48 1HE LYS 6 HE2 LYS 6 -21.295 -2.576 -2.747 49 2HE LYS 6 HE3 LYS 6 -21.737 -0.887 -2.994 50 1HZ LYS 6 HZ2 LYS 6 -19.743 -1.282 -4.803 51 2HZ LYS 6 HZ1 LYS 6 -20.569 -2.766 -4.840 52 3HZ LYS 6 HZ3 LYS 6 -21.413 -1.317 -5.148 53 H GLN 7 HN GLN 7 -16.255 -0.537 0.978 54 HA GLN 7 HA GLN 7 -14.214 -1.050 1.739 55 1HB GLN 7 HB2 GLN 7 -14.584 -2.350 -0.797 56 2HB GLN 7 HB3 GLN 7 -12.876 -2.031 -0.552 57 1HG GLN 7 HG2 GLN 7 -13.296 -3.014 1.816 58 2HG GLN 7 HG3 GLN 7 -14.738 -3.704 1.079 59 1HE2 GLN 7 HE22 GLN 7 -11.908 -6.105 0.852 60 2HE2 GLN 7 HE21 GLN 7 -12.639 -5.227 2.147 61 H GLU 8 HN GLU 8 -14.350 1.669 1.142 62 HA GLU 8 HA GLU 8 -11.899 2.497 -0.159 63 1HB GLU 8 HB2 GLU 8 -12.417 4.719 0.857 64 2HB GLU 8 HB3 GLU 8 -13.708 4.070 -0.143 65 1HG GLU 8 HG2 GLU 8 -15.087 3.662 1.656 66 2HG GLU 8 HG3 GLU 8 -13.759 3.606 2.807 67 H GLU 9 HN GLU 9 -12.627 1.056 2.738 68 HA GLU 9 HA GLU 9 -10.743 2.247 4.538 69 1HB GLU 9 HB2 GLU 9 -11.945 -0.529 4.697 70 2HB GLU 9 HB3 GLU 9 -11.250 0.407 6.011 71 1HG GLU 9 HG2 GLU 9 -13.392 0.871 6.469 72 2HG GLU 9 HG3 GLU 9 -13.190 2.099 5.222 73 H LEU 10 HN LEU 10 -10.776 -0.285 2.162 74 HA LEU 10 HA LEU 10 -8.287 -1.516 2.739 75 1HB LEU 10 HB2 LEU 10 -9.881 -2.573 1.246 76 2HB LEU 10 HB3 LEU 10 -9.826 -1.213 0.149 77 HG LEU 10 HG LEU 10 -7.563 -1.767 -0.507 78 1HD1 LEU 10 HD12 LEU 10 -7.749 -3.696 1.768 79 2HD1 LEU 10 HD13 LEU 10 -6.692 -4.041 0.403 80 3HD1 LEU 10 HD11 LEU 10 -6.453 -2.577 1.347 81 1HD2 LEU 10 HD21 LEU 10 -9.817 -3.368 -0.995 82 2HD2 LEU 10 HD22 LEU 10 -8.378 -3.187 -1.993 83 3HD2 LEU 10 HD23 LEU 10 -8.459 -4.469 -0.788 84 H VAL 11 HN VAL 11 -9.230 1.491 1.225 85 HA VAL 11 HA VAL 11 -6.607 1.951 0.039 86 HB VAL 11 HB VAL 11 -8.907 3.894 0.434 87 1HG1 VAL 11 HG13 VAL 11 -6.190 4.243 -0.782 88 2HG1 VAL 11 HG11 VAL 11 -7.570 5.164 -1.387 89 3HG1 VAL 11 HG12 VAL 11 -7.079 5.319 0.302 90 1HG2 VAL 11 HG23 VAL 11 -7.994 2.206 -1.881 91 2HG2 VAL 11 HG21 VAL 11 -9.597 2.303 -1.152 92 3HG2 VAL 11 HG22 VAL 11 -8.982 3.649 -2.112 93 H LYS 12 HN LYS 12 -8.409 3.411 2.818 94 HA LYS 12 HA LYS 12 -6.402 5.043 3.803 95 1HB LYS 12 HB2 LYS 12 -8.526 3.484 5.267 96 2HB LYS 12 HB3 LYS 12 -7.363 4.472 6.139 97 1HG LYS 12 HG2 LYS 12 -8.817 6.136 5.890 98 2HG LYS 12 HG3 LYS 12 -8.261 6.207 4.218 99 1HD LYS 12 HD2 LYS 12 -10.503 6.004 3.837 100 2HD LYS 12 HD3 LYS 12 -10.049 4.300 3.916 101 1HE LYS 12 HE2 LYS 12 -11.256 3.938 5.776 102 2HE LYS 12 HE3 LYS 12 -10.677 5.409 6.542 103 1HZ LYS 12 HZ1 LYS 12 -12.698 5.577 4.402 104 2HZ LYS 12 HZ3 LYS 12 -13.173 5.150 5.976 105 3HZ LYS 12 HZ2 LYS 12 -12.411 6.644 5.688 106 H ALA 13 HN ALA 13 -6.865 1.594 4.385 107 HA ALA 13 HA ALA 13 -4.630 1.212 6.100 108 1HB ALA 13 HB1 ALA 13 -6.491 -0.376 5.975 109 2HB ALA 13 HB2 ALA 13 -6.016 -0.807 4.332 110 3HB ALA 13 HB3 ALA 13 -4.941 -1.163 5.684 111 H PHE 14 HN PHE 14 -5.044 0.535 2.596 112 HA PHE 14 HA PHE 14 -2.506 -0.391 1.975 113 1HB PHE 14 HB2 PHE 14 -4.570 -0.199 0.460 114 2HB PHE 14 HB3 PHE 14 -4.071 1.429 0.151 115 HD1 PHE 14 HD1 PHE 14 -3.188 -2.100 -0.327 116 HD2 PHE 14 HD2 PHE 14 -2.226 1.935 -1.286 117 HE1 PHE 14 HE1 PHE 14 -1.695 -2.881 -2.112 118 HE2 PHE 14 HE2 PHE 14 -0.732 1.152 -3.077 119 HZ PHE 14 HZ PHE 14 -0.475 -1.252 -3.488 120 H LYS 15 HN LYS 15 -3.604 2.962 1.443 121 HA LYS 15 HA LYS 15 -1.226 4.187 0.838 122 1HB LYS 15 HB2 LYS 15 -3.313 5.494 2.596 123 2HB LYS 15 HB3 LYS 15 -2.283 6.252 1.390 124 1HG LYS 15 HG2 LYS 15 -4.169 4.161 0.453 125 2HG LYS 15 HG3 LYS 15 -4.844 5.702 0.951 126 1HD LYS 15 HD2 LYS 15 -2.508 5.863 -0.818 127 2HD LYS 15 HD3 LYS 15 -3.922 5.099 -1.531 128 1HE LYS 15 HE2 LYS 15 -3.967 7.783 -0.162 129 2HE LYS 15 HE3 LYS 15 -3.782 7.590 -1.907 130 1HZ LYS 15 HZ2 LYS 15 -5.980 6.186 -1.520 131 2HZ LYS 15 HZ1 LYS 15 -6.129 7.239 -0.195 132 3HZ LYS 15 HZ3 LYS 15 -6.020 7.858 -1.772 133 H ALA 16 HN ALA 16 -2.547 3.654 4.110 134 HA ALA 16 HA ALA 16 -0.543 4.977 5.567 135 1HB ALA 16 HB2 ALA 16 -2.669 4.377 6.568 136 2HB ALA 16 HB3 ALA 16 -2.284 2.663 6.419 137 3HB ALA 16 HB1 ALA 16 -1.342 3.689 7.500 138 H LEU 17 HN LEU 17 -0.812 1.511 4.691 139 HA LEU 17 HA LEU 17 1.450 0.527 5.985 140 1HB LEU 17 HB2 LEU 17 0.257 -0.298 3.329 141 2HB LEU 17 HB3 LEU 17 1.498 -1.209 4.157 142 HG LEU 17 HG LEU 17 -1.390 -0.918 4.795 143 1HD1 LEU 17 HD12 LEU 17 0.548 -3.206 4.802 144 2HD1 LEU 17 HD13 LEU 17 -1.159 -3.328 5.216 145 3HD1 LEU 17 HD11 LEU 17 -0.675 -2.857 3.588 146 1HD2 LEU 17 HD23 LEU 17 0.761 -1.434 6.825 147 2HD2 LEU 17 HD21 LEU 17 -0.514 -0.215 6.871 148 3HD2 LEU 17 HD22 LEU 17 -0.918 -1.921 7.043 149 H LEU 18 HN LEU 18 1.196 1.948 2.754 150 HA LEU 18 HA LEU 18 3.943 1.628 2.064 151 1HB LEU 18 HB2 LEU 18 1.953 3.626 0.976 152 2HB LEU 18 HB3 LEU 18 3.464 3.157 0.221 153 HG LEU 18 HG LEU 18 1.277 1.149 0.725 154 1HD1 LEU 18 HD12 LEU 18 1.286 3.364 -1.148 155 2HD1 LEU 18 HD13 LEU 18 1.170 1.798 -1.954 156 3HD1 LEU 18 HD11 LEU 18 -0.005 2.245 -0.718 157 1HD2 LEU 18 HD23 LEU 18 3.566 1.265 -1.229 158 2HD2 LEU 18 HD21 LEU 18 3.490 0.258 0.220 159 3HD2 LEU 18 HD22 LEU 18 2.376 -0.028 -1.119 160 H LYS 19 HN LYS 19 2.090 4.506 3.091 161 HA LYS 19 HA LYS 19 4.244 6.289 3.101 162 1HB LYS 19 HB2 LYS 19 1.634 6.355 4.619 163 2HB LYS 19 HB3 LYS 19 2.764 7.705 4.557 164 1HG LYS 19 HG2 LYS 19 2.513 7.847 2.144 165 2HG LYS 19 HG3 LYS 19 1.463 6.433 2.137 166 1HD LYS 19 HD2 LYS 19 -0.230 7.900 2.244 167 2HD LYS 19 HD3 LYS 19 0.203 8.076 3.943 168 1HE LYS 19 HE2 LYS 19 1.070 9.825 1.640 169 2HE LYS 19 HE3 LYS 19 0.011 10.262 2.979 170 1HZ LYS 19 HZ1 LYS 19 1.934 9.874 4.480 171 2HZ LYS 19 HZ3 LYS 19 2.926 9.695 3.106 172 3HZ LYS 19 HZ2 LYS 19 2.147 11.177 3.402 173 H GLU 20 HN GLU 20 3.445 3.872 5.466 174 HA GLU 20 HA GLU 20 4.924 5.100 7.626 175 1HB GLU 20 HB2 GLU 20 3.622 2.418 7.226 176 2HB GLU 20 HB3 GLU 20 4.727 2.676 8.570 177 1HG GLU 20 HG2 GLU 20 3.176 4.790 8.969 178 2HG GLU 20 HG3 GLU 20 2.014 3.792 8.100 179 H GLU 21 HN GLU 21 5.818 3.446 4.797 180 HA GLU 21 HA GLU 21 7.763 2.633 3.969 181 1HB GLU 21 HB2 GLU 21 8.982 4.232 6.236 182 2HB GLU 21 HB3 GLU 21 9.854 3.614 4.841 183 1HG GLU 21 HG2 GLU 21 8.769 5.079 3.367 184 2HG GLU 21 HG3 GLU 21 7.506 5.461 4.529 185 H LYS 22 HN LYS 22 7.116 0.459 4.580 186 HA LYS 22 HA LYS 22 9.032 -0.777 6.426 187 1HB LYS 22 HB2 LYS 22 7.258 -0.688 7.919 188 2HB LYS 22 HB3 LYS 22 6.042 -0.845 6.664 189 1HG LYS 22 HG2 LYS 22 6.355 -3.187 6.507 190 2HG LYS 22 HG3 LYS 22 7.836 -3.125 7.460 191 1HD LYS 22 HD2 LYS 22 6.350 -2.210 9.348 192 2HD LYS 22 HD3 LYS 22 4.996 -2.777 8.369 193 1HE LYS 22 HE2 LYS 22 5.483 -4.525 9.897 194 2HE LYS 22 HE3 LYS 22 6.109 -5.040 8.332 195 1HZ LYS 22 HZ3 LYS 22 7.861 -3.672 10.272 196 2HZ LYS 22 HZ2 LYS 22 7.566 -5.339 10.407 197 3HZ LYS 22 HZ1 LYS 22 8.288 -4.717 8.996 198 H PHE 23 HN PHE 23 6.420 -1.418 4.102 199 HA PHE 23 HA PHE 23 7.386 -4.053 3.467 200 1HB PHE 23 HB2 PHE 23 5.289 -2.391 2.054 201 2HB PHE 23 HB3 PHE 23 5.507 -4.144 1.943 202 HD1 PHE 23 HD1 PHE 23 5.121 -5.563 3.940 203 HD2 PHE 23 HD2 PHE 23 4.109 -1.432 3.913 204 HE1 PHE 23 HE1 PHE 23 3.719 -5.898 5.928 205 HE2 PHE 23 HE2 PHE 23 2.710 -1.762 5.907 206 HZ PHE 23 HZ PHE 23 2.502 -3.997 6.911 207 H SER 24 HN SER 24 8.674 -4.670 1.869 208 HA SER 24 HA SER 24 9.751 -2.624 0.084 209 1HB SER 24 HB2 SER 24 11.733 -3.895 -0.031 210 2HB SER 24 HB3 SER 24 11.207 -4.040 1.639 211 HG SER 24 HG SER 24 10.913 -6.097 1.397 212 H SER 25 HN SER 25 7.808 -5.481 -0.042 213 HA SER 25 HA SER 25 7.670 -5.191 -2.968 214 1HB SER 25 HB2 SER 25 7.429 -7.780 -3.022 215 2HB SER 25 HB3 SER 25 9.040 -7.079 -2.894 216 HG SER 25 HG SER 25 8.350 -7.334 -0.439 217 H GLN 26 HN GLN 26 5.740 -6.240 -3.900 218 HA GLN 26 HA GLN 26 3.347 -5.372 -2.689 219 1HB GLN 26 HB2 GLN 26 3.579 -7.494 -4.825 220 2HB GLN 26 HB3 GLN 26 2.258 -6.414 -4.526 221 1HG GLN 26 HG2 GLN 26 3.105 -5.208 -6.195 222 2HG GLN 26 HG3 GLN 26 4.222 -4.619 -4.972 223 1HE2 GLN 26 HE22 GLN 26 6.234 -5.586 -7.871 224 2HE2 GLN 26 HE21 GLN 26 4.993 -4.432 -7.520 225 H GLY 27 HN GLY 27 4.479 -8.706 -3.238 226 1HA GLY 27 HA1 GLY 27 2.585 -10.229 -2.084 227 2HA GLY 27 HA2 GLY 27 4.284 -10.622 -1.959 228 H GLU 28 HN GLU 28 4.865 -8.300 -0.222 229 HA GLU 28 HA GLU 28 4.272 -9.546 2.291 230 1HB GLU 28 HB2 GLU 28 5.562 -6.859 1.767 231 2HB GLU 28 HB3 GLU 28 5.620 -7.772 3.269 232 1HG GLU 28 HG2 GLU 28 6.983 -9.464 2.286 233 2HG GLU 28 HG3 GLU 28 6.758 -8.794 0.672 234 H ILE 29 HN ILE 29 3.343 -6.418 0.796 235 HA ILE 29 HA ILE 29 1.653 -5.649 2.971 236 HB ILE 29 HB ILE 29 2.067 -3.709 2.004 237 1HG1 ILE 29 HG12 ILE 29 0.002 -4.479 -0.059 238 2HG1 ILE 29 HG13 ILE 29 -0.355 -3.847 1.548 239 1HG2 ILE 29 HG22 ILE 29 3.696 -4.628 0.473 240 2HG2 ILE 29 HG23 ILE 29 2.417 -5.017 -0.675 241 3HG2 ILE 29 HG21 ILE 29 2.778 -3.341 -0.292 242 1HD1 ILE 29 HD12 ILE 29 1.366 -1.962 0.560 243 2HD1 ILE 29 HD13 ILE 29 0.468 -2.447 -0.883 244 3HD1 ILE 29 HD11 ILE 29 -0.393 -1.856 0.540 245 H VAL 30 HN VAL 30 1.236 -7.760 0.315 246 HA VAL 30 HA VAL 30 -1.597 -7.774 0.082 247 HB VAL 30 HB VAL 30 0.395 -10.028 -0.376 248 1HG1 VAL 30 HG13 VAL 30 -2.518 -9.801 -1.053 249 2HG1 VAL 30 HG11 VAL 30 -1.435 -10.917 -1.875 250 3HG1 VAL 30 HG12 VAL 30 -1.702 -11.068 -0.142 251 1HG2 VAL 30 HG22 VAL 30 0.324 -7.755 -1.797 252 2HG2 VAL 30 HG23 VAL 30 0.716 -9.320 -2.498 253 3HG2 VAL 30 HG21 VAL 30 -0.910 -8.672 -2.648 254 H ALA 31 HN ALA 31 0.699 -9.442 2.216 255 HA ALA 31 HA ALA 31 -1.323 -11.041 3.514 256 1HB ALA 31 HB3 ALA 31 1.591 -10.548 4.099 257 2HB ALA 31 HB1 ALA 31 0.564 -11.564 5.113 258 3HB ALA 31 HB2 ALA 31 0.838 -11.992 3.424 259 H ALA 32 HN ALA 32 0.465 -8.068 4.252 260 HA ALA 32 HA ALA 32 -0.264 -7.651 6.883 261 1HB ALA 32 HB1 ALA 32 1.384 -6.275 5.726 262 2HB ALA 32 HB2 ALA 32 0.102 -5.527 4.774 263 3HB ALA 32 HB3 ALA 32 0.163 -5.279 6.520 264 H LEU 33 HN LEU 33 -2.028 -6.489 3.988 265 HA LEU 33 HA LEU 33 -4.173 -5.384 5.505 266 1HB LEU 33 HB2 LEU 33 -4.115 -6.087 2.571 267 2HB LEU 33 HB3 LEU 33 -5.346 -5.114 3.371 268 HG LEU 33 HG LEU 33 -2.422 -4.339 3.245 269 1HD1 LEU 33 HD11 LEU 33 -4.616 -3.953 1.307 270 2HD1 LEU 33 HD12 LEU 33 -3.643 -2.528 1.678 271 3HD1 LEU 33 HD13 LEU 33 -2.872 -3.993 1.059 272 1HD2 LEU 33 HD21 LEU 33 -4.912 -2.878 4.094 273 2HD2 LEU 33 HD22 LEU 33 -3.537 -3.321 5.103 274 3HD2 LEU 33 HD23 LEU 33 -3.346 -2.106 3.841 275 H GLN 34 HN GLN 34 -3.505 -8.629 4.399 276 HA GLN 34 HA GLN 34 -6.212 -9.573 4.505 277 1HB GLN 34 HB2 GLN 34 -3.533 -10.933 4.487 278 2HB GLN 34 HB3 GLN 34 -4.971 -11.862 4.874 279 1HG GLN 34 HG2 GLN 34 -5.924 -11.469 2.751 280 2HG GLN 34 HG3 GLN 34 -4.733 -10.228 2.365 281 1HE2 GLN 34 HE22 GLN 34 -3.390 -12.897 0.458 282 2HE2 GLN 34 HE21 GLN 34 -4.486 -11.562 0.411 283 H GLU 35 HN GLU 35 -3.556 -9.386 6.837 284 HA GLU 35 HA GLU 35 -4.978 -10.677 8.975 285 1HB GLU 35 HB2 GLU 35 -2.540 -8.878 9.065 286 2HB GLU 35 HB3 GLU 35 -3.145 -9.849 10.403 287 1HG GLU 35 HG2 GLU 35 -2.703 -11.887 9.146 288 2HG GLU 35 HG3 GLU 35 -2.107 -10.931 7.789 289 H GLN 36 HN GLN 36 -4.712 -7.402 7.775 290 HA GLN 36 HA GLN 36 -5.610 -5.988 10.060 291 1HB GLN 36 HB2 GLN 36 -5.674 -5.360 7.111 292 2HB GLN 36 HB3 GLN 36 -6.296 -4.247 8.309 293 1HG GLN 36 HG2 GLN 36 -3.674 -5.071 9.092 294 2HG GLN 36 HG3 GLN 36 -3.635 -4.556 7.409 295 1HE2 GLN 36 HE22 GLN 36 -3.529 -1.810 10.201 296 2HE2 GLN 36 HE21 GLN 36 -3.104 -3.474 10.372 297 H GLY 37 HN GLY 37 -7.446 -6.786 7.094 298 1HA GLY 37 HA1 GLY 37 -9.669 -7.940 8.179 299 2HA GLY 37 HA2 GLY 37 -9.964 -6.222 8.385 300 H PHE 38 HN PHE 38 -8.242 -7.633 5.642 301 HA PHE 38 HA PHE 38 -10.559 -6.977 3.916 302 1HB PHE 38 HB2 PHE 38 -7.644 -6.538 3.228 303 2HB PHE 38 HB3 PHE 38 -9.037 -6.071 2.257 304 HD1 PHE 38 HD1 PHE 38 -10.569 -4.291 3.130 305 HD2 PHE 38 HD2 PHE 38 -6.849 -5.163 4.980 306 HE1 PHE 38 HE1 PHE 38 -10.630 -2.130 4.286 307 HE2 PHE 38 HE2 PHE 38 -6.893 -3.001 6.132 308 HZ PHE 38 HZ PHE 38 -8.787 -1.481 5.784 309 H ASP 39 HN ASP 39 -11.314 -8.743 2.954 310 HA ASP 39 HA ASP 39 -9.577 -11.050 2.522 311 1HB ASP 39 HB2 ASP 39 -12.066 -10.987 3.515 312 2HB ASP 39 HB3 ASP 39 -12.450 -11.164 1.812 313 H ASN 40 HN ASN 40 -10.666 -8.458 0.815 314 HA ASN 40 HA ASN 40 -10.602 -9.774 -1.792 315 1HB ASN 40 HB2 ASN 40 -11.487 -7.001 -0.973 316 2HB ASN 40 HB3 ASN 40 -11.351 -7.508 -2.650 317 1HD2 ASN 40 HD22 ASN 40 -14.698 -8.389 -2.520 318 2HD2 ASN 40 HD21 ASN 40 -13.453 -7.421 -3.227 319 H ILE 41 HN ILE 41 -8.178 -9.951 -0.842 320 HA ILE 41 HA ILE 41 -6.654 -7.887 -2.271 321 HB ILE 41 HB ILE 41 -6.479 -8.482 0.626 322 1HG1 ILE 41 HG12 ILE 41 -7.164 -6.308 -0.634 323 2HG1 ILE 41 HG13 ILE 41 -6.152 -6.184 0.801 324 1HG2 ILE 41 HG23 ILE 41 -3.991 -8.091 -1.025 325 2HG2 ILE 41 HG21 ILE 41 -4.080 -7.770 0.704 326 3HG2 ILE 41 HG22 ILE 41 -4.355 -9.402 0.100 327 1HD1 ILE 41 HD11 ILE 41 -4.802 -6.384 -1.832 328 2HD1 ILE 41 HD12 ILE 41 -5.598 -4.867 -1.411 329 3HD1 ILE 41 HD13 ILE 41 -4.326 -5.515 -0.372 330 H ASN 42 HN ASN 42 -4.939 -8.577 -3.352 331 HA ASN 42 HA ASN 42 -3.649 -11.110 -2.903 332 1HB ASN 42 HB2 ASN 42 -4.144 -12.002 -5.204 333 2HB ASN 42 HB3 ASN 42 -5.537 -11.984 -4.133 334 1HD2 ASN 42 HD22 ASN 42 -7.451 -9.958 -6.214 335 2HD2 ASN 42 HD21 ASN 42 -7.348 -10.953 -4.800 336 H GLN 43 HN GLN 43 -2.076 -11.500 -4.891 337 HA GLN 43 HA GLN 43 -0.159 -9.529 -4.918 338 1HB GLN 43 HB2 GLN 43 -0.150 -12.033 -5.755 339 2HB GLN 43 HB3 GLN 43 -0.411 -11.297 -7.326 340 1HG GLN 43 HG2 GLN 43 1.882 -11.522 -7.223 341 2HG GLN 43 HG3 GLN 43 1.623 -9.839 -6.786 342 1HE2 GLN 43 HE22 GLN 43 2.544 -12.384 -3.704 343 2HE2 GLN 43 HE21 GLN 43 1.419 -12.862 -4.927 344 H SER 44 HN SER 44 -2.561 -10.089 -7.510 345 HA SER 44 HA SER 44 -1.656 -8.012 -9.197 346 1HB SER 44 HB2 SER 44 -4.377 -8.324 -9.781 347 2HB SER 44 HB3 SER 44 -3.037 -9.130 -10.561 348 HG SER 44 HG SER 44 -4.136 -10.832 -9.894 349 H LYS 45 HN LYS 45 -4.424 -8.115 -6.987 350 HA LYS 45 HA LYS 45 -5.315 -5.503 -7.304 351 1HB LYS 45 HB2 LYS 45 -6.274 -7.527 -5.925 352 2HB LYS 45 HB3 LYS 45 -5.412 -6.780 -4.588 353 1HG LYS 45 HG2 LYS 45 -6.864 -5.053 -4.438 354 2HG LYS 45 HG3 LYS 45 -7.132 -4.980 -6.181 355 1HD LYS 45 HD2 LYS 45 -8.738 -6.680 -6.136 356 2HD LYS 45 HD3 LYS 45 -8.186 -7.285 -4.575 357 1HE LYS 45 HE2 LYS 45 -10.251 -6.189 -4.174 358 2HE LYS 45 HE3 LYS 45 -8.993 -5.120 -3.565 359 1HZ LYS 45 HZ2 LYS 45 -9.368 -4.357 -6.177 360 2HZ LYS 45 HZ1 LYS 45 -10.937 -4.650 -5.591 361 3HZ LYS 45 HZ3 LYS 45 -9.923 -3.544 -4.792 362 H VAL 46 HN VAL 46 -2.668 -6.675 -5.280 363 HA VAL 46 HA VAL 46 -2.231 -4.185 -3.909 364 HB VAL 46 HB VAL 46 -0.693 -6.750 -4.078 365 1HG1 VAL 46 HG13 VAL 46 1.010 -4.992 -4.040 366 2HG1 VAL 46 HG11 VAL 46 0.223 -4.249 -2.648 367 3HG1 VAL 46 HG12 VAL 46 0.947 -5.849 -2.512 368 1HG2 VAL 46 HG21 VAL 46 -2.446 -5.355 -2.141 369 2HG2 VAL 46 HG22 VAL 46 -2.266 -7.073 -2.471 370 3HG2 VAL 46 HG23 VAL 46 -1.082 -6.238 -1.469 371 H SER 47 HN SER 47 -0.630 -5.803 -6.684 372 HA SER 47 HA SER 47 1.262 -3.727 -7.113 373 1HB SER 47 HB2 SER 47 1.383 -4.800 -9.468 374 2HB SER 47 HB3 SER 47 1.861 -5.770 -8.078 375 HG SER 47 HG SER 47 0.040 -6.946 -8.230 376 H ARG 48 HN ARG 48 -2.055 -4.216 -8.166 377 HA ARG 48 HA ARG 48 -2.116 -2.201 -10.177 378 1HB ARG 48 HB2 ARG 48 -4.264 -3.553 -8.550 379 2HB ARG 48 HB3 ARG 48 -4.643 -2.234 -9.648 380 1HG ARG 48 HG2 ARG 48 -3.268 -3.746 -11.343 381 2HG ARG 48 HG3 ARG 48 -3.806 -5.017 -10.248 382 1HD ARG 48 HD2 ARG 48 -5.446 -3.176 -11.955 383 2HD ARG 48 HD3 ARG 48 -5.456 -4.932 -11.902 384 HE ARG 48 HE ARG 48 -6.756 -4.870 -9.919 385 1HH1 ARG 48 HH12 ARG 48 -6.203 -1.693 -11.302 386 2HH1 ARG 48 HH11 ARG 48 -7.516 -0.943 -10.439 387 1HH2 ARG 48 HH22 ARG 48 -8.478 -3.880 -8.782 388 2HH2 ARG 48 HH21 ARG 48 -8.798 -2.183 -9.005 389 H MET 49 HN MET 49 -3.089 -2.171 -6.735 390 HA MET 49 HA MET 49 -3.792 0.549 -6.600 391 1HB MET 49 HB2 MET 49 -2.991 -1.471 -4.556 392 2HB MET 49 HB3 MET 49 -3.234 0.209 -4.105 393 1HG MET 49 HG2 MET 49 -5.147 -1.790 -4.355 394 2HG MET 49 HG3 MET 49 -5.407 -0.095 -4.005 395 1HE MET 49 HE3 MET 49 -7.851 -0.201 -4.966 396 2HE MET 49 HE1 MET 49 -6.986 1.289 -5.348 397 3HE MET 49 HE2 MET 49 -7.977 0.510 -6.578 398 H LEU 50 HN LEU 50 -0.676 -1.083 -6.171 399 HA LEU 50 HA LEU 50 0.802 1.134 -5.234 400 1HB LEU 50 HB2 LEU 50 1.492 -1.467 -6.522 401 2HB LEU 50 HB3 LEU 50 2.730 -0.225 -6.489 402 HG LEU 50 HG LEU 50 1.355 -0.892 -3.935 403 1HD1 LEU 50 HD13 LEU 50 3.318 -2.660 -5.343 404 2HD1 LEU 50 HD11 LEU 50 3.142 -2.656 -3.590 405 3HD1 LEU 50 HD12 LEU 50 1.777 -3.096 -4.609 406 1HD2 LEU 50 HD22 LEU 50 4.066 0.052 -4.751 407 2HD2 LEU 50 HD23 LEU 50 2.883 0.834 -3.702 408 3HD2 LEU 50 HD21 LEU 50 3.753 -0.591 -3.141 409 H THR 51 HN THR 51 0.022 0.020 -8.497 410 HA THR 51 HA THR 51 1.607 2.018 -9.833 411 HB THR 51 HB THR 51 -0.662 0.413 -11.038 412 HG1 THR 51 HG1 THR 51 0.881 -0.959 -9.932 413 1HG2 THR 51 HG22 THR 51 1.858 1.530 -12.243 414 2HG2 THR 51 HG21 THR 51 0.693 0.494 -13.071 415 3HG2 THR 51 HG23 THR 51 0.209 2.098 -12.519 416 H LYS 52 HN LYS 52 -1.866 1.565 -9.154 417 HA LYS 52 HA LYS 52 -2.908 3.818 -10.435 418 1HB LYS 52 HB2 LYS 52 -4.265 1.964 -9.557 419 2HB LYS 52 HB3 LYS 52 -3.876 2.440 -7.911 420 1HG LYS 52 HG2 LYS 52 -4.988 4.724 -9.130 421 2HG LYS 52 HG3 LYS 52 -5.986 3.359 -9.629 422 1HD LYS 52 HD2 LYS 52 -6.118 2.677 -7.222 423 2HD LYS 52 HD3 LYS 52 -5.317 4.194 -6.810 424 1HE LYS 52 HE2 LYS 52 -7.909 4.010 -8.358 425 2HE LYS 52 HE3 LYS 52 -7.813 4.248 -6.614 426 1HZ LYS 52 HZ2 LYS 52 -6.202 6.196 -7.489 427 2HZ LYS 52 HZ1 LYS 52 -7.321 6.126 -8.767 428 3HZ LYS 52 HZ3 LYS 52 -7.867 6.403 -7.175 429 H PHE 53 HN PHE 53 -1.880 3.471 -7.037 430 HA PHE 53 HA PHE 53 -2.311 6.260 -6.437 431 1HB PHE 53 HB2 PHE 53 -1.027 4.012 -4.874 432 2HB PHE 53 HB3 PHE 53 -1.194 5.648 -4.249 433 HD1 PHE 53 HD2 PHE 53 -3.811 6.522 -4.877 434 HD2 PHE 53 HD1 PHE 53 -2.538 2.587 -3.839 435 HE1 PHE 53 HE2 PHE 53 -6.072 6.006 -4.063 436 HE2 PHE 53 HE1 PHE 53 -4.793 2.074 -3.022 437 HZ PHE 53 HZ PHE 53 -6.566 3.779 -3.136 438 H GLY 54 HN GLY 54 0.118 4.693 -8.116 439 1HA GLY 54 HA1 GLY 54 2.181 5.349 -8.874 440 2HA GLY 54 HA2 GLY 54 1.757 6.971 -8.358 441 H ALA 55 HN ALA 55 2.569 3.867 -6.810 442 HA ALA 55 HA ALA 55 3.850 5.169 -4.591 443 1HB ALA 55 HB1 ALA 55 2.651 3.063 -4.287 444 2HB ALA 55 HB2 ALA 55 3.803 2.247 -5.343 445 3HB ALA 55 HB3 ALA 55 4.340 2.914 -3.799 446 H VAL 56 HN VAL 56 5.984 5.275 -4.098 447 HA VAL 56 HA VAL 56 7.943 4.583 -6.203 448 HB VAL 56 HB VAL 56 9.316 6.503 -5.365 449 1HG1 VAL 56 HG13 VAL 56 7.304 6.486 -7.199 450 2HG1 VAL 56 HG11 VAL 56 6.840 7.850 -6.181 451 3HG1 VAL 56 HG12 VAL 56 8.427 7.822 -6.953 452 1HG2 VAL 56 HG21 VAL 56 6.874 6.980 -3.676 453 2HG2 VAL 56 HG22 VAL 56 8.574 7.007 -3.211 454 3HG2 VAL 56 HG23 VAL 56 7.900 8.315 -4.180 455 H ARG 57 HN ARG 57 10.224 4.353 -5.234 456 HA ARG 57 HA ARG 57 10.024 2.906 -2.663 457 1HB ARG 57 HB2 ARG 57 12.239 2.316 -4.583 458 2HB ARG 57 HB3 ARG 57 11.486 1.280 -3.377 459 1HG ARG 57 HG2 ARG 57 9.404 1.465 -4.930 460 2HG ARG 57 HG3 ARG 57 10.599 1.899 -6.149 461 1HD ARG 57 HD2 ARG 57 10.348 -0.643 -4.566 462 2HD ARG 57 HD3 ARG 57 10.326 -0.438 -6.320 463 HE ARG 57 HE ARG 57 12.786 0.469 -5.624 464 1HH1 ARG 57 HH12 ARG 57 11.085 -2.536 -4.977 465 2HH1 ARG 57 HH11 ARG 57 12.547 -3.477 -4.890 466 1HH2 ARG 57 HH22 ARG 57 14.647 -0.732 -5.518 467 2HH2 ARG 57 HH21 ARG 57 14.589 -2.448 -5.212 468 H THR 58 HN THR 58 11.616 3.188 -1.098 469 HA THR 58 HA THR 58 13.868 4.942 -1.624 470 HB THR 58 HB THR 58 11.671 6.319 -1.032 471 HG1 THR 58 HG1 THR 58 13.984 7.090 0.373 472 1HG2 THR 58 HG22 THR 58 11.339 5.093 1.154 473 2HG2 THR 58 HG21 THR 58 12.748 5.980 1.747 474 3HG2 THR 58 HG23 THR 58 11.313 6.858 1.208 475 H ARG 59 HN ARG 59 15.461 4.908 0.013 476 HA ARG 59 HA ARG 59 15.495 2.476 1.534 477 1HB ARG 59 HB2 ARG 59 17.666 2.647 1.198 478 2HB ARG 59 HB3 ARG 59 17.430 4.203 0.430 479 1HG ARG 59 HG2 ARG 59 18.023 5.383 2.332 480 2HG ARG 59 HG3 ARG 59 17.687 4.032 3.410 481 1HD ARG 59 HD2 ARG 59 20.149 4.693 2.822 482 2HD ARG 59 HD3 ARG 59 19.662 3.019 3.040 483 HE ARG 59 HE ARG 59 20.199 2.617 0.864 484 1HH1 ARG 59 HH12 ARG 59 19.704 6.064 1.248 485 2HH1 ARG 59 HH11 ARG 59 20.196 6.450 -0.381 486 1HH2 ARG 59 HH22 ARG 59 20.841 3.108 -1.277 487 2HH2 ARG 59 HH21 ARG 59 20.848 4.765 -1.823 488 H ASN 60 HN ASN 60 15.404 2.169 3.687 489 HA ASN 60 HA ASN 60 14.473 4.417 5.350 490 1HB ASN 60 HB2 ASN 60 13.628 2.710 6.899 491 2HB ASN 60 HB3 ASN 60 13.000 2.444 5.282 492 1HD2 ASN 60 HD22 ASN 60 13.851 -0.871 6.440 493 2HD2 ASN 60 HD21 ASN 60 12.661 0.361 6.704 494 H ALA 61 HN ALA 61 15.133 3.690 7.856 495 HA ALA 61 HA ALA 61 17.895 4.299 8.058 496 1HB ALA 61 HB2 ALA 61 16.264 5.006 9.726 497 2HB ALA 61 HB3 ALA 61 16.008 3.326 10.203 498 3HB ALA 61 HB1 ALA 61 17.574 4.091 10.469 499 H LYS 62 HN LYS 62 16.713 1.431 7.078 500 HA LYS 62 HA LYS 62 18.878 -0.129 8.354 501 1HB LYS 62 HB2 LYS 62 16.153 -1.117 7.495 502 2HB LYS 62 HB3 LYS 62 17.467 -2.118 8.084 503 1HG LYS 62 HG2 LYS 62 16.295 -1.895 10.017 504 2HG LYS 62 HG3 LYS 62 17.322 -0.470 10.154 505 1HD LYS 62 HD2 LYS 62 15.500 0.795 10.311 506 2HD LYS 62 HD3 LYS 62 15.071 0.341 8.663 507 1HE LYS 62 HE2 LYS 62 14.210 -0.984 11.228 508 2HE LYS 62 HE3 LYS 62 13.196 -0.136 10.063 509 1HZ LYS 62 HZ1 LYS 62 13.993 -1.966 8.444 510 2HZ LYS 62 HZ3 LYS 62 14.414 -2.818 9.851 511 3HZ LYS 62 HZ2 LYS 62 12.799 -2.343 9.596 512 H MET 63 HN MET 63 18.538 1.383 5.656 513 HA MET 63 HA MET 63 19.453 1.143 3.587 514 1HB MET 63 HB2 MET 63 20.300 -1.684 4.090 515 2HB MET 63 HB3 MET 63 21.127 -0.409 3.222 516 1HG MET 63 HG2 MET 63 21.285 0.693 5.592 517 2HG MET 63 HG3 MET 63 21.066 -0.974 6.124 518 1HE MET 63 HE2 MET 63 22.991 -2.182 6.847 519 2HE MET 63 HE3 MET 63 22.805 -3.004 5.296 520 3HE MET 63 HE1 MET 63 24.404 -2.509 5.842 521 H GLU 64 HN GLU 64 16.820 -0.508 4.575 522 HA GLU 64 HA GLU 64 16.424 -2.257 2.308 523 1HB GLU 64 HB2 GLU 64 14.318 -1.358 4.284 524 2HB GLU 64 HB3 GLU 64 14.310 -2.800 3.285 525 1HG GLU 64 HG2 GLU 64 16.109 -3.760 4.591 526 2HG GLU 64 HG3 GLU 64 16.236 -2.286 5.545 527 H MET 65 HN MET 65 15.876 -1.512 0.357 528 HA MET 65 HA MET 65 14.737 1.119 -0.049 529 1HB MET 65 HB2 MET 65 15.477 -1.135 -1.926 530 2HB MET 65 HB3 MET 65 14.690 0.335 -2.483 531 1HG MET 65 HG2 MET 65 17.268 0.386 -0.945 532 2HG MET 65 HG3 MET 65 17.214 0.225 -2.699 533 1HE MET 65 HE2 MET 65 16.089 1.749 -4.231 534 2HE MET 65 HE3 MET 65 14.690 2.504 -3.460 535 3HE MET 65 HE1 MET 65 16.024 3.505 -4.031 536 H VAL 66 HN VAL 66 12.785 0.889 1.138 537 HA VAL 66 HA VAL 66 10.879 -1.111 0.245 538 HB VAL 66 HB VAL 66 9.520 -0.455 2.194 539 1HG1 VAL 66 HG12 VAL 66 11.495 -2.099 2.265 540 2HG1 VAL 66 HG13 VAL 66 12.352 -0.821 3.129 541 3HG1 VAL 66 HG11 VAL 66 10.867 -1.491 3.801 542 1HG2 VAL 66 HG23 VAL 66 11.495 1.763 2.327 543 2HG2 VAL 66 HG21 VAL 66 9.779 1.743 2.729 544 3HG2 VAL 66 HG22 VAL 66 10.957 1.067 3.854 545 H TYR 67 HN TYR 67 8.580 -0.503 0.160 546 HA TYR 67 HA TYR 67 8.128 1.499 -1.839 547 1HB TYR 67 HB2 TYR 67 6.447 -0.574 -0.469 548 2HB TYR 67 HB3 TYR 67 5.634 0.764 -1.263 549 HD1 TYR 67 HD2 TYR 67 7.349 1.120 -3.680 550 HD2 TYR 67 HD1 TYR 67 5.856 -2.398 -1.807 551 HE1 TYR 67 HE2 TYR 67 7.442 -0.050 -5.832 552 HE2 TYR 67 HE1 TYR 67 5.922 -3.585 -3.959 553 HH TYR 67 HH TYR 67 5.881 -2.528 -6.677 554 H CYS 68 HN CYS 68 7.069 3.406 -1.654 555 HA CYS 68 HA CYS 68 5.753 4.194 0.791 556 1HB CYS 68 HB2 CYS 68 7.142 6.282 1.022 557 2HB CYS 68 HB3 CYS 68 7.981 4.795 1.432 558 HG CYS 68 HG CYS 68 8.963 5.082 -1.160 559 H LEU 69 HN LEU 69 4.782 6.367 0.580 560 HA LEU 69 HA LEU 69 3.931 6.808 -2.203 561 1HB LEU 69 HB2 LEU 69 2.428 6.527 0.111 562 2HB LEU 69 HB3 LEU 69 2.455 8.262 -0.128 563 HG LEU 69 HG LEU 69 1.402 8.064 -2.275 564 1HD1 LEU 69 HD13 LEU 69 2.288 5.268 -2.082 565 2HD1 LEU 69 HD11 LEU 69 0.666 5.487 -2.728 566 3HD1 LEU 69 HD12 LEU 69 2.030 6.287 -3.498 567 1HD2 LEU 69 HD23 LEU 69 0.027 7.832 -0.154 568 2HD2 LEU 69 HD21 LEU 69 -0.721 7.291 -1.655 569 3HD2 LEU 69 HD22 LEU 69 -0.058 6.111 -0.525 570 HA PRO 70 HA PRO 70 6.161 10.698 -2.484 571 1HB PRO 70 HB2 PRO 70 3.759 11.653 -3.918 572 2HB PRO 70 HB3 PRO 70 5.441 11.657 -4.427 573 1HG PRO 70 HG2 PRO 70 3.750 9.928 -5.469 574 2HG PRO 70 HG3 PRO 70 5.376 9.388 -5.000 575 1HD PRO 70 HD2 PRO 70 2.775 9.059 -3.530 576 2HD PRO 70 HD3 PRO 70 4.046 7.862 -3.840 577 H ALA 71 HN ALA 71 4.323 13.050 -2.887 578 HA ALA 71 HA ALA 71 4.379 14.100 -0.246 579 1HB ALA 71 HB2 ALA 71 4.509 15.379 -2.443 580 2HB ALA 71 HB3 ALA 71 2.751 15.248 -2.498 581 3HB ALA 71 HB1 ALA 71 3.534 16.086 -1.158 582 H GLU 72 HN GLU 72 1.877 15.484 -0.145 583 HA GLU 72 HA GLU 72 0.298 13.532 1.222 584 1HB GLU 72 HB2 GLU 72 -0.308 16.418 0.527 585 2HB GLU 72 HB3 GLU 72 -1.296 15.420 1.585 586 1HG GLU 72 HG2 GLU 72 1.570 15.581 2.289 587 2HG GLU 72 HG3 GLU 72 0.660 17.078 2.436 588 H LEU 73 HN LEU 73 0.001 12.068 -0.606 589 HA LEU 73 HA LEU 73 -1.912 12.915 -2.645 590 1HB LEU 73 HB2 LEU 73 0.257 11.629 -3.115 591 2HB LEU 73 HB3 LEU 73 -0.562 10.227 -2.454 592 HG LEU 73 HG LEU 73 -2.310 10.467 -4.214 593 1HD1 LEU 73 HD13 LEU 73 -0.627 12.824 -4.936 594 2HD1 LEU 73 HD11 LEU 73 -1.455 11.927 -6.210 595 3HD1 LEU 73 HD12 LEU 73 -2.383 12.661 -4.903 596 1HD2 LEU 73 HD23 LEU 73 0.542 10.218 -5.158 597 2HD2 LEU 73 HD21 LEU 73 -0.506 8.922 -4.584 598 3HD2 LEU 73 HD22 LEU 73 -0.873 9.746 -6.097 599 H GLY 74 HN GLY 74 -3.563 13.044 -0.837 600 1HA GLY 74 HA1 GLY 74 -4.674 10.570 0.185 601 2HA GLY 74 HA2 GLY 74 -5.405 12.170 0.287 602 H VAL 75 HN VAL 75 -5.829 13.048 -2.079 603 HA VAL 75 HA VAL 75 -7.490 11.068 -3.481 604 HB VAL 75 HB VAL 75 -8.330 13.156 -4.725 605 1HG1 VAL 75 HG22 VAL 75 -9.497 11.860 -2.874 606 2HG1 VAL 75 HG23 VAL 75 -8.970 13.148 -1.789 607 3HG1 VAL 75 HG21 VAL 75 -10.036 13.517 -3.147 608 1HG2 VAL 75 HG13 VAL 75 -6.438 14.614 -3.905 609 2HG2 VAL 75 HG11 VAL 75 -8.056 15.291 -3.720 610 3HG2 VAL 75 HG12 VAL 75 -7.224 14.608 -2.326 611 HA PRO 76 HA PRO 76 -4.535 10.801 -6.768 612 1HB PRO 76 HB2 PRO 76 -6.153 10.274 -8.904 613 2HB PRO 76 HB3 PRO 76 -5.788 9.099 -7.639 614 1HG PRO 76 HG2 PRO 76 -8.208 10.825 -7.971 615 2HG PRO 76 HG3 PRO 76 -8.107 9.115 -7.515 616 1HD PRO 76 HD2 PRO 76 -8.486 11.094 -5.703 617 2HD PRO 76 HD3 PRO 76 -7.601 9.604 -5.317 618 H THR 77 HN THR 77 -3.491 12.628 -7.323 619 HA THR 77 HA THR 77 -4.348 14.168 -9.544 620 HB THR 77 HB THR 77 -5.744 15.172 -7.645 621 HG1 THR 77 HG1 THR 77 -5.472 16.439 -9.393 622 1HG2 THR 77 HG22 THR 77 -3.797 15.094 -5.950 623 2HG2 THR 77 HG21 THR 77 -3.282 16.599 -6.715 624 3HG2 THR 77 HG23 THR 77 -4.874 16.490 -5.964 625 H THR 78 HN THR 78 -2.632 15.287 -10.446 626 HA THR 78 HA THR 78 -0.005 14.667 -9.371 627 HB THR 78 HB THR 78 0.794 15.672 -11.539 628 HG1 THR 78 HG1 THR 78 -1.426 16.856 -11.623 629 1HG2 THR 78 HG22 THR 78 -0.060 13.204 -11.189 630 2HG2 THR 78 HG21 THR 78 -1.289 13.722 -12.338 631 3HG2 THR 78 HG23 THR 78 0.418 13.811 -12.771 No H/Q in entry = 631 Start of MODEL 17 1 1H MET 1 HT1 MET 1 -16.507 3.709 3.576 2 2H MET 1 HT3 MET 1 -16.385 5.182 2.692 3 3H MET 1 HT2 MET 1 -15.961 5.137 4.359 4 HA MET 1 HA MET 1 -17.961 5.894 4.705 5 1HB MET 1 HB2 MET 1 -18.404 4.952 1.886 6 2HB MET 1 HB3 MET 1 -19.794 5.377 2.871 7 1HG MET 1 HG2 MET 1 -17.670 7.386 2.925 8 2HG MET 1 HG3 MET 1 -18.350 7.104 1.324 9 1HE MET 1 HE2 MET 1 -18.874 9.727 1.534 10 2HE MET 1 HE3 MET 1 -20.097 10.407 2.604 11 3HE MET 1 HE1 MET 1 -18.540 9.897 3.255 12 H ARG 2 HN ARG 2 -18.846 4.867 6.356 13 HA ARG 2 HA ARG 2 -19.994 3.413 7.639 14 1HB ARG 2 HB2 ARG 2 -21.006 2.175 5.074 15 2HB ARG 2 HB3 ARG 2 -21.730 2.048 6.670 16 1HG ARG 2 HG2 ARG 2 -21.578 4.473 4.899 17 2HG ARG 2 HG3 ARG 2 -23.016 3.617 5.448 18 1HD ARG 2 HD2 ARG 2 -21.159 5.353 7.068 19 2HD ARG 2 HD3 ARG 2 -22.868 5.617 6.725 20 HE ARG 2 HE ARG 2 -22.691 3.197 8.076 21 1HH1 ARG 2 HH12 ARG 2 -22.014 6.572 8.710 22 2HH1 ARG 2 HH11 ARG 2 -22.323 6.445 10.419 23 1HH2 ARG 2 HH22 ARG 2 -23.096 3.013 10.306 24 2HH2 ARG 2 HH21 ARG 2 -22.930 4.414 11.332 25 H SER 3 HN SER 3 -17.573 2.748 7.775 26 HA SER 3 HA SER 3 -16.016 1.152 8.132 27 1HB SER 3 HB2 SER 3 -18.482 -0.535 8.659 28 2HB SER 3 HB3 SER 3 -16.846 -0.891 9.224 29 HG SER 3 HG SER 3 -16.884 1.034 10.418 30 H SER 4 HN SER 4 -17.040 -1.833 7.585 31 HA SER 4 HA SER 4 -15.590 -2.019 5.099 32 1HB SER 4 HB2 SER 4 -16.894 -4.218 6.727 33 2HB SER 4 HB3 SER 4 -15.732 -4.425 5.421 34 HG SER 4 HG SER 4 -14.493 -2.827 6.977 35 H ALA 5 HN ALA 5 -18.261 -0.767 4.985 36 HA ALA 5 HA ALA 5 -19.943 -2.593 3.468 37 1HB ALA 5 HB3 ALA 5 -20.169 0.363 4.027 38 2HB ALA 5 HB1 ALA 5 -21.302 -0.530 3.017 39 3HB ALA 5 HB2 ALA 5 -21.125 -0.946 4.720 40 H LYS 6 HN LYS 6 -18.231 0.449 2.800 41 HA LYS 6 HA LYS 6 -18.017 -0.236 -0.052 42 1HB LYS 6 HB2 LYS 6 -17.315 2.347 1.373 43 2HB LYS 6 HB3 LYS 6 -17.291 2.081 -0.368 44 1HG LYS 6 HG2 LYS 6 -19.852 1.354 0.291 45 2HG LYS 6 HG3 LYS 6 -19.536 2.673 1.417 46 1HD LYS 6 HD2 LYS 6 -19.140 4.204 -0.317 47 2HD LYS 6 HD3 LYS 6 -18.958 2.926 -1.521 48 1HE LYS 6 HE2 LYS 6 -21.547 3.400 -0.050 49 2HE LYS 6 HE3 LYS 6 -21.144 4.246 -1.544 50 1HZ LYS 6 HZ2 LYS 6 -20.811 1.999 -2.563 51 2HZ LYS 6 HZ1 LYS 6 -21.511 1.324 -1.161 52 3HZ LYS 6 HZ3 LYS 6 -22.413 2.379 -2.145 53 H GLN 7 HN GLN 7 -15.930 -0.200 -1.080 54 HA GLN 7 HA GLN 7 -13.885 -1.326 0.613 55 1HB GLN 7 HB2 GLN 7 -14.624 -1.672 -2.031 56 2HB GLN 7 HB3 GLN 7 -13.091 -0.825 -2.158 57 1HG GLN 7 HG2 GLN 7 -12.415 -3.024 -2.113 58 2HG GLN 7 HG3 GLN 7 -12.266 -2.542 -0.422 59 1HE2 GLN 7 HE22 GLN 7 -13.888 -5.609 0.161 60 2HE2 GLN 7 HE21 GLN 7 -12.351 -4.830 0.039 61 H GLU 8 HN GLU 8 -14.442 1.529 1.000 62 HA GLU 8 HA GLU 8 -12.096 2.958 0.082 63 1HB GLU 8 HB2 GLU 8 -14.060 3.833 2.210 64 2HB GLU 8 HB3 GLU 8 -12.996 4.844 1.241 65 1HG GLU 8 HG2 GLU 8 -14.321 3.908 -0.768 66 2HG GLU 8 HG3 GLU 8 -15.514 3.438 0.437 67 H GLU 9 HN GLU 9 -12.571 0.679 2.475 68 HA GLU 9 HA GLU 9 -10.890 1.896 4.526 69 1HB GLU 9 HB2 GLU 9 -12.298 -0.765 4.299 70 2HB GLU 9 HB3 GLU 9 -11.121 -0.448 5.572 71 1HG GLU 9 HG2 GLU 9 -12.553 1.642 6.060 72 2HG GLU 9 HG3 GLU 9 -13.795 0.816 5.120 73 H LEU 10 HN LEU 10 -10.731 -0.685 2.126 74 HA LEU 10 HA LEU 10 -8.087 -1.553 2.704 75 1HB LEU 10 HB2 LEU 10 -9.431 -3.023 1.461 76 2HB LEU 10 HB3 LEU 10 -9.896 -1.787 0.309 77 HG LEU 10 HG LEU 10 -7.490 -1.819 -0.519 78 1HD1 LEU 10 HD11 LEU 10 -7.399 -4.050 1.463 79 2HD1 LEU 10 HD12 LEU 10 -6.419 -4.126 0.001 80 3HD1 LEU 10 HD13 LEU 10 -6.211 -2.791 1.134 81 1HD2 LEU 10 HD23 LEU 10 -9.231 -4.259 -0.754 82 2HD2 LEU 10 HD21 LEU 10 -9.174 -2.864 -1.831 83 3HD2 LEU 10 HD22 LEU 10 -7.805 -3.972 -1.749 84 H VAL 11 HN VAL 11 -9.445 1.037 0.781 85 HA VAL 11 HA VAL 11 -7.011 1.721 -0.585 86 HB VAL 11 HB VAL 11 -9.662 3.111 -0.263 87 1HG1 VAL 11 HG11 VAL 11 -7.112 4.310 -1.165 88 2HG1 VAL 11 HG12 VAL 11 -8.515 4.590 -2.194 89 3HG1 VAL 11 HG13 VAL 11 -8.558 5.074 -0.501 90 1HG2 VAL 11 HG21 VAL 11 -9.571 1.236 -1.793 91 2HG2 VAL 11 HG22 VAL 11 -9.792 2.746 -2.675 92 3HG2 VAL 11 HG23 VAL 11 -8.211 1.970 -2.640 93 H LYS 12 HN LYS 12 -8.681 3.178 2.287 94 HA LYS 12 HA LYS 12 -6.690 5.140 2.838 95 1HB LYS 12 HB2 LYS 12 -8.889 3.873 4.420 96 2HB LYS 12 HB3 LYS 12 -7.595 4.628 5.340 97 1HG LYS 12 HG2 LYS 12 -9.252 6.259 5.108 98 2HG LYS 12 HG3 LYS 12 -7.986 6.701 3.956 99 1HD LYS 12 HD2 LYS 12 -9.474 5.143 2.392 100 2HD LYS 12 HD3 LYS 12 -10.742 5.692 3.482 101 1HE LYS 12 HE2 LYS 12 -8.861 7.653 2.210 102 2HE LYS 12 HE3 LYS 12 -10.249 7.035 1.316 103 1HZ LYS 12 HZ3 LYS 12 -10.736 8.055 4.018 104 2HZ LYS 12 HZ2 LYS 12 -10.386 9.193 2.798 105 3HZ LYS 12 HZ1 LYS 12 -11.712 8.136 2.621 106 H ALA 13 HN ALA 13 -7.177 1.875 4.057 107 HA ALA 13 HA ALA 13 -4.952 1.675 5.758 108 1HB ALA 13 HB3 ALA 13 -6.336 -0.497 4.179 109 2HB ALA 13 HB1 ALA 13 -5.191 -0.774 5.490 110 3HB ALA 13 HB2 ALA 13 -6.725 0.034 5.817 111 H PHE 14 HN PHE 14 -5.234 1.076 2.277 112 HA PHE 14 HA PHE 14 -2.745 -0.071 1.766 113 1HB PHE 14 HB2 PHE 14 -4.712 0.200 0.162 114 2HB PHE 14 HB3 PHE 14 -4.150 1.829 -0.136 115 HD1 PHE 14 HD1 PHE 14 -3.391 -1.752 -0.494 116 HD2 PHE 14 HD2 PHE 14 -2.244 2.232 -1.499 117 HE1 PHE 14 HE1 PHE 14 -1.866 -2.622 -2.209 118 HE2 PHE 14 HE2 PHE 14 -0.705 1.351 -3.216 119 HZ PHE 14 HZ PHE 14 -0.528 -1.072 -3.557 120 H LYS 15 HN LYS 15 -3.642 3.399 1.571 121 HA LYS 15 HA LYS 15 -1.103 4.376 0.947 122 1HB LYS 15 HB2 LYS 15 -3.399 5.678 2.387 123 2HB LYS 15 HB3 LYS 15 -1.901 6.535 2.043 124 1HG LYS 15 HG2 LYS 15 -2.683 7.048 0.029 125 2HG LYS 15 HG3 LYS 15 -2.665 5.334 -0.377 126 1HD LYS 15 HD2 LYS 15 -4.864 5.597 -0.682 127 2HD LYS 15 HD3 LYS 15 -4.926 5.448 1.066 128 1HE LYS 15 HE2 LYS 15 -5.582 7.723 -0.629 129 2HE LYS 15 HE3 LYS 15 -6.073 7.392 1.032 130 1HZ LYS 15 HZ2 LYS 15 -3.535 8.091 1.423 131 2HZ LYS 15 HZ1 LYS 15 -3.873 9.016 0.037 132 3HZ LYS 15 HZ3 LYS 15 -4.828 9.193 1.439 133 H ALA 16 HN ALA 16 -2.623 3.870 4.099 134 HA ALA 16 HA ALA 16 -0.687 5.007 5.748 135 1HB ALA 16 HB2 ALA 16 -3.072 4.105 6.289 136 2HB ALA 16 HB3 ALA 16 -2.217 2.609 6.671 137 3HB ALA 16 HB1 ALA 16 -1.821 4.098 7.532 138 H LEU 17 HN LEU 17 -0.983 1.593 4.714 139 HA LEU 17 HA LEU 17 1.196 0.560 6.153 140 1HB LEU 17 HB2 LEU 17 -0.005 -0.312 3.518 141 2HB LEU 17 HB3 LEU 17 1.211 -1.240 4.373 142 HG LEU 17 HG LEU 17 -1.602 -0.649 5.255 143 1HD1 LEU 17 HD11 LEU 17 -0.158 -3.221 4.651 144 2HD1 LEU 17 HD12 LEU 17 -1.808 -3.092 5.253 145 3HD1 LEU 17 HD13 LEU 17 -1.401 -2.459 3.659 146 1HD2 LEU 17 HD22 LEU 17 0.740 -1.529 6.835 147 2HD2 LEU 17 HD23 LEU 17 -0.648 -0.557 7.311 148 3HD2 LEU 17 HD21 LEU 17 -0.807 -2.304 7.153 149 H LEU 18 HN LEU 18 1.073 1.947 2.886 150 HA LEU 18 HA LEU 18 3.827 1.480 2.286 151 1HB LEU 18 HB2 LEU 18 2.029 3.640 1.189 152 2HB LEU 18 HB3 LEU 18 3.540 3.098 0.485 153 HG LEU 18 HG LEU 18 1.179 1.262 0.814 154 1HD1 LEU 18 HD13 LEU 18 0.744 3.383 -0.552 155 2HD1 LEU 18 HD11 LEU 18 1.859 2.680 -1.725 156 3HD1 LEU 18 HD12 LEU 18 0.386 1.823 -1.285 157 1HD2 LEU 18 HD23 LEU 18 3.436 0.260 0.446 158 2HD2 LEU 18 HD21 LEU 18 2.272 -0.077 -0.841 159 3HD2 LEU 18 HD22 LEU 18 3.513 1.152 -1.081 160 H LYS 19 HN LYS 19 2.129 4.396 3.433 161 HA LYS 19 HA LYS 19 4.422 6.020 3.588 162 1HB LYS 19 HB2 LYS 19 1.709 6.232 4.888 163 2HB LYS 19 HB3 LYS 19 2.937 7.486 5.019 164 1HG LYS 19 HG2 LYS 19 2.964 7.657 2.547 165 2HG LYS 19 HG3 LYS 19 1.644 6.491 2.477 166 1HD LYS 19 HD2 LYS 19 0.564 8.566 2.340 167 2HD LYS 19 HD3 LYS 19 0.395 8.124 4.038 168 1HE LYS 19 HE2 LYS 19 1.012 10.470 3.810 169 2HE LYS 19 HE3 LYS 19 2.300 9.565 4.598 170 1HZ LYS 19 HZ3 LYS 19 2.250 10.285 1.713 171 2HZ LYS 19 HZ2 LYS 19 3.109 11.136 2.911 172 3HZ LYS 19 HZ1 LYS 19 3.534 9.529 2.545 173 H GLU 20 HN GLU 20 4.111 3.340 5.340 174 HA GLU 20 HA GLU 20 5.068 4.435 7.904 175 1HB GLU 20 HB2 GLU 20 4.150 1.673 7.092 176 2HB GLU 20 HB3 GLU 20 4.973 1.976 8.612 177 1HG GLU 20 HG2 GLU 20 2.795 3.829 8.305 178 2HG GLU 20 HG3 GLU 20 2.222 2.185 8.039 179 H GLU 21 HN GLU 21 6.190 3.138 4.962 180 HA GLU 21 HA GLU 21 8.216 2.535 4.145 181 1HB GLU 21 HB2 GLU 21 9.392 3.819 6.620 182 2HB GLU 21 HB3 GLU 21 10.167 3.594 5.060 183 1HG GLU 21 HG2 GLU 21 8.483 5.142 4.062 184 2HG GLU 21 HG3 GLU 21 7.877 5.449 5.690 185 H LYS 22 HN LYS 22 7.379 0.328 4.722 186 HA LYS 22 HA LYS 22 9.323 -1.075 6.434 187 1HB LYS 22 HB2 LYS 22 7.417 -0.826 7.859 188 2HB LYS 22 HB3 LYS 22 6.303 -1.262 6.573 189 1HG LYS 22 HG2 LYS 22 6.832 -3.526 6.715 190 2HG LYS 22 HG3 LYS 22 8.335 -3.214 7.586 191 1HD LYS 22 HD2 LYS 22 7.150 -2.615 9.572 192 2HD LYS 22 HD3 LYS 22 5.609 -2.607 8.710 193 1HE LYS 22 HE2 LYS 22 6.095 -4.635 10.160 194 2HE LYS 22 HE3 LYS 22 5.581 -4.945 8.506 195 1HZ LYS 22 HZ1 LYS 22 8.042 -5.122 7.966 196 2HZ LYS 22 HZ3 LYS 22 8.308 -5.187 9.650 197 3HZ LYS 22 HZ2 LYS 22 7.370 -6.386 8.884 198 H PHE 23 HN PHE 23 6.621 -1.550 4.169 199 HA PHE 23 HA PHE 23 7.583 -4.133 3.317 200 1HB PHE 23 HB2 PHE 23 5.346 -2.460 2.140 201 2HB PHE 23 HB3 PHE 23 5.569 -4.209 1.987 202 HD1 PHE 23 HD2 PHE 23 5.824 -5.449 4.351 203 HD2 PHE 23 HD1 PHE 23 3.799 -1.749 3.734 204 HE1 PHE 23 HE2 PHE 23 4.561 -5.798 6.430 205 HE2 PHE 23 HE1 PHE 23 2.539 -2.100 5.815 206 HZ PHE 23 HZ PHE 23 2.909 -4.126 7.162 207 H SER 24 HN SER 24 8.657 -4.644 1.486 208 HA SER 24 HA SER 24 9.402 -2.438 -0.321 209 1HB SER 24 HB2 SER 24 11.388 -3.933 -0.864 210 2HB SER 24 HB3 SER 24 11.347 -3.258 0.759 211 HG SER 24 HG SER 24 10.603 -5.232 1.542 212 H SER 25 HN SER 25 7.608 -5.335 -0.240 213 HA SER 25 HA SER 25 7.530 -5.351 -3.189 214 1HB SER 25 HB2 SER 25 7.267 -7.834 -3.088 215 2HB SER 25 HB3 SER 25 8.838 -7.265 -2.531 216 HG SER 25 HG SER 25 7.984 -7.433 -0.358 217 H GLN 26 HN GLN 26 5.613 -5.993 -4.180 218 HA GLN 26 HA GLN 26 3.191 -5.107 -2.995 219 1HB GLN 26 HB2 GLN 26 3.150 -6.950 -5.334 220 2HB GLN 26 HB3 GLN 26 2.195 -5.537 -5.034 221 1HG GLN 26 HG2 GLN 26 3.482 -4.625 -6.608 222 2HG GLN 26 HG3 GLN 26 4.647 -4.431 -5.302 223 1HE2 GLN 26 HE22 GLN 26 6.293 -5.972 -8.249 224 2HE2 GLN 26 HE21 GLN 26 5.363 -4.538 -7.984 225 H GLY 27 HN GLY 27 4.843 -8.110 -2.730 226 1HA GLY 27 HA1 GLY 27 2.493 -9.725 -2.165 227 2HA GLY 27 HA2 GLY 27 4.168 -10.218 -2.000 228 H GLU 28 HN GLU 28 5.135 -8.247 -0.272 229 HA GLU 28 HA GLU 28 4.373 -9.219 2.245 230 1HB GLU 28 HB2 GLU 28 5.853 -6.699 1.474 231 2HB GLU 28 HB3 GLU 28 5.651 -7.232 3.137 232 1HG GLU 28 HG2 GLU 28 6.968 -9.140 2.818 233 2HG GLU 28 HG3 GLU 28 6.886 -9.012 1.064 234 H ILE 29 HN ILE 29 3.368 -6.255 0.523 235 HA ILE 29 HA ILE 29 1.772 -5.287 2.691 236 HB ILE 29 HB ILE 29 2.210 -3.533 1.388 237 1HG1 ILE 29 HG12 ILE 29 -0.269 -4.319 -0.128 238 2HG1 ILE 29 HG13 ILE 29 -0.289 -3.682 1.519 239 1HG2 ILE 29 HG21 ILE 29 2.268 -5.427 -0.873 240 2HG2 ILE 29 HG22 ILE 29 1.997 -3.726 -1.233 241 3HG2 ILE 29 HG23 ILE 29 3.448 -4.220 -0.365 242 1HD1 ILE 29 HD11 ILE 29 1.112 -1.744 0.454 243 2HD1 ILE 29 HD12 ILE 29 0.355 -2.308 -1.034 244 3HD1 ILE 29 HD13 ILE 29 -0.644 -1.778 0.320 245 H VAL 30 HN VAL 30 1.178 -7.717 0.277 246 HA VAL 30 HA VAL 30 -1.687 -7.722 0.391 247 HB VAL 30 HB VAL 30 0.219 -9.981 -0.297 248 1HG1 VAL 30 HG11 VAL 30 -2.707 -9.904 -0.051 249 2HG1 VAL 30 HG12 VAL 30 -2.091 -10.627 -1.533 250 3HG1 VAL 30 HG13 VAL 30 -1.589 -11.264 0.031 251 1HG2 VAL 30 HG21 VAL 30 -0.288 -7.711 -1.734 252 2HG2 VAL 30 HG22 VAL 30 0.288 -9.236 -2.396 253 3HG2 VAL 30 HG23 VAL 30 -1.431 -8.860 -2.413 254 H ALA 31 HN ALA 31 0.846 -9.632 2.012 255 HA ALA 31 HA ALA 31 -0.843 -11.139 3.687 256 1HB ALA 31 HB3 ALA 31 1.486 -11.742 3.250 257 2HB ALA 31 HB1 ALA 31 2.029 -10.336 4.167 258 3HB ALA 31 HB2 ALA 31 1.163 -11.640 4.981 259 H ALA 32 HN ALA 32 0.591 -7.936 4.106 260 HA ALA 32 HA ALA 32 0.037 -7.578 6.851 261 1HB ALA 32 HB3 ALA 32 0.378 -5.572 4.627 262 2HB ALA 32 HB1 ALA 32 0.224 -5.132 6.330 263 3HB ALA 32 HB2 ALA 32 1.588 -6.113 5.790 264 H LEU 33 HN LEU 33 -1.858 -6.607 3.963 265 HA LEU 33 HA LEU 33 -4.003 -5.487 5.448 266 1HB LEU 33 HB2 LEU 33 -3.988 -6.503 2.607 267 2HB LEU 33 HB3 LEU 33 -5.291 -5.575 3.333 268 HG LEU 33 HG LEU 33 -2.515 -4.440 3.251 269 1HD1 LEU 33 HD13 LEU 33 -4.425 -4.738 0.987 270 2HD1 LEU 33 HD11 LEU 33 -3.506 -3.242 1.136 271 3HD1 LEU 33 HD12 LEU 33 -2.663 -4.782 0.997 272 1HD2 LEU 33 HD23 LEU 33 -5.297 -3.288 3.385 273 2HD2 LEU 33 HD21 LEU 33 -4.057 -3.258 4.638 274 3HD2 LEU 33 HD22 LEU 33 -3.840 -2.320 3.163 275 H GLN 34 HN GLN 34 -3.307 -8.773 4.407 276 HA GLN 34 HA GLN 34 -5.899 -9.848 4.839 277 1HB GLN 34 HB2 GLN 34 -3.149 -11.064 4.693 278 2HB GLN 34 HB3 GLN 34 -4.533 -12.050 5.138 279 1HG GLN 34 HG2 GLN 34 -5.634 -11.438 3.028 280 2HG GLN 34 HG3 GLN 34 -4.213 -10.496 2.579 281 1HE2 GLN 34 HE22 GLN 34 -3.013 -13.292 0.911 282 2HE2 GLN 34 HE21 GLN 34 -3.484 -11.632 0.861 283 H GLU 35 HN GLU 35 -3.586 -8.717 7.078 284 HA GLU 35 HA GLU 35 -4.736 -10.278 9.307 285 1HB GLU 35 HB2 GLU 35 -2.260 -8.529 9.222 286 2HB GLU 35 HB3 GLU 35 -2.842 -9.392 10.640 287 1HG GLU 35 HG2 GLU 35 -2.502 -11.517 9.470 288 2HG GLU 35 HG3 GLU 35 -1.892 -10.643 8.071 289 H GLN 36 HN GLN 36 -4.953 -7.259 7.777 290 HA GLN 36 HA GLN 36 -5.441 -5.619 10.078 291 1HB GLN 36 HB2 GLN 36 -5.733 -5.204 7.112 292 2HB GLN 36 HB3 GLN 36 -6.254 -3.994 8.266 293 1HG GLN 36 HG2 GLN 36 -3.614 -4.788 8.967 294 2HG GLN 36 HG3 GLN 36 -3.647 -4.474 7.236 295 1HE2 GLN 36 HE22 GLN 36 -3.360 -1.423 9.683 296 2HE2 GLN 36 HE21 GLN 36 -2.980 -3.069 10.054 297 H GLY 37 HN GLY 37 -7.536 -7.018 7.554 298 1HA GLY 37 HA1 GLY 37 -9.698 -7.808 8.823 299 2HA GLY 37 HA2 GLY 37 -9.930 -6.072 8.975 300 H PHE 38 HN PHE 38 -8.707 -8.040 6.288 301 HA PHE 38 HA PHE 38 -11.021 -7.217 4.646 302 1HB PHE 38 HB2 PHE 38 -8.138 -7.196 3.702 303 2HB PHE 38 HB3 PHE 38 -9.553 -6.739 2.763 304 HD1 PHE 38 HD2 PHE 38 -10.743 -4.669 3.228 305 HD2 PHE 38 HD1 PHE 38 -7.213 -5.701 5.343 306 HE1 PHE 38 HE2 PHE 38 -10.537 -2.351 4.014 307 HE2 PHE 38 HE1 PHE 38 -6.985 -3.389 6.120 308 HZ PHE 38 HZ PHE 38 -8.644 -1.706 5.453 309 H ASP 39 HN ASP 39 -10.849 -8.488 2.430 310 HA ASP 39 HA ASP 39 -9.660 -11.050 2.494 311 1HB ASP 39 HB2 ASP 39 -11.658 -11.334 4.080 312 2HB ASP 39 HB3 ASP 39 -12.690 -11.097 2.675 313 H ASN 40 HN ASN 40 -9.474 -11.786 0.536 314 HA ASN 40 HA ASN 40 -9.885 -12.229 -1.706 315 1HB ASN 40 HB2 ASN 40 -12.329 -11.422 -1.339 316 2HB ASN 40 HB3 ASN 40 -11.756 -9.870 -1.939 317 1HD2 ASN 40 HD22 ASN 40 -11.867 -13.072 -4.487 318 2HD2 ASN 40 HD21 ASN 40 -11.633 -13.315 -2.791 319 H ILE 41 HN ILE 41 -7.981 -10.590 -0.349 320 HA ILE 41 HA ILE 41 -7.302 -8.551 -2.364 321 HB ILE 41 HB ILE 41 -6.712 -8.834 0.552 322 1HG1 ILE 41 HG12 ILE 41 -7.252 -6.504 0.600 323 2HG1 ILE 41 HG13 ILE 41 -7.059 -6.361 -1.147 324 1HG2 ILE 41 HG21 ILE 41 -4.765 -7.684 -1.420 325 2HG2 ILE 41 HG22 ILE 41 -4.887 -7.045 0.218 326 3HG2 ILE 41 HG23 ILE 41 -4.466 -8.735 -0.036 327 1HD1 ILE 41 HD11 ILE 41 -9.182 -8.048 0.123 328 2HD1 ILE 41 HD12 ILE 41 -9.411 -6.356 -0.297 329 3HD1 ILE 41 HD13 ILE 41 -9.055 -7.535 -1.556 330 H ASN 42 HN ASN 42 -6.060 -9.297 -3.897 331 HA ASN 42 HA ASN 42 -4.052 -11.389 -3.304 332 1HB ASN 42 HB2 ASN 42 -4.202 -12.060 -5.680 333 2HB ASN 42 HB3 ASN 42 -5.747 -12.203 -4.855 334 1HD2 ASN 42 HD22 ASN 42 -7.420 -10.115 -7.055 335 2HD2 ASN 42 HD21 ASN 42 -7.474 -11.216 -5.719 336 H GLN 43 HN GLN 43 -2.126 -11.371 -4.780 337 HA GLN 43 HA GLN 43 -0.646 -9.023 -4.466 338 1HB GLN 43 HB2 GLN 43 0.051 -11.533 -4.969 339 2HB GLN 43 HB3 GLN 43 0.144 -10.938 -6.624 340 1HG GLN 43 HG2 GLN 43 1.585 -9.045 -5.609 341 2HG GLN 43 HG3 GLN 43 1.744 -10.122 -4.225 342 1HE2 GLN 43 HE22 GLN 43 3.411 -12.635 -6.319 343 2HE2 GLN 43 HE21 GLN 43 1.973 -12.557 -5.366 344 H SER 44 HN SER 44 -2.517 -10.105 -7.271 345 HA SER 44 HA SER 44 -1.519 -8.243 -9.125 346 1HB SER 44 HB2 SER 44 -4.368 -9.168 -9.298 347 2HB SER 44 HB3 SER 44 -3.150 -9.034 -10.557 348 HG SER 44 HG SER 44 -2.083 -10.852 -9.591 349 H LYS 45 HN LYS 45 -4.250 -8.060 -6.869 350 HA LYS 45 HA LYS 45 -5.145 -5.486 -7.698 351 1HB LYS 45 HB2 LYS 45 -6.319 -7.363 -6.257 352 2HB LYS 45 HB3 LYS 45 -5.583 -6.512 -4.908 353 1HG LYS 45 HG2 LYS 45 -7.037 -4.814 -5.028 354 2HG LYS 45 HG3 LYS 45 -6.997 -4.759 -6.791 355 1HD LYS 45 HD2 LYS 45 -8.454 -6.800 -6.810 356 2HD LYS 45 HD3 LYS 45 -8.589 -6.651 -5.056 357 1HE LYS 45 HE2 LYS 45 -9.440 -4.284 -5.477 358 2HE LYS 45 HE3 LYS 45 -9.572 -4.748 -7.172 359 1HZ LYS 45 HZ3 LYS 45 -10.794 -6.753 -5.671 360 2HZ LYS 45 HZ2 LYS 45 -11.363 -5.268 -5.061 361 3HZ LYS 45 HZ1 LYS 45 -11.533 -5.628 -6.718 362 H VAL 46 HN VAL 46 -2.800 -6.599 -5.337 363 HA VAL 46 HA VAL 46 -2.397 -4.067 -4.056 364 HB VAL 46 HB VAL 46 -0.838 -6.644 -4.001 365 1HG1 VAL 46 HG13 VAL 46 -0.269 -4.030 -2.648 366 2HG1 VAL 46 HG11 VAL 46 0.251 -5.558 -1.958 367 3HG1 VAL 46 HG12 VAL 46 0.835 -5.068 -3.543 368 1HG2 VAL 46 HG23 VAL 46 -3.013 -5.421 -2.428 369 2HG2 VAL 46 HG21 VAL 46 -2.604 -7.118 -2.668 370 3HG2 VAL 46 HG22 VAL 46 -1.721 -6.156 -1.485 371 H SER 47 HN SER 47 -0.795 -5.794 -6.721 372 HA SER 47 HA SER 47 1.275 -3.831 -7.034 373 1HB SER 47 HB2 SER 47 1.626 -5.045 -9.254 374 2HB SER 47 HB3 SER 47 1.833 -5.991 -7.783 375 HG SER 47 HG SER 47 -0.089 -6.997 -8.134 376 H ARG 48 HN ARG 48 -1.936 -4.361 -8.398 377 HA ARG 48 HA ARG 48 -1.761 -2.354 -10.433 378 1HB ARG 48 HB2 ARG 48 -4.043 -3.827 -9.139 379 2HB ARG 48 HB3 ARG 48 -4.369 -2.442 -10.170 380 1HG ARG 48 HG2 ARG 48 -2.900 -3.658 -11.911 381 2HG ARG 48 HG3 ARG 48 -3.172 -5.080 -10.912 382 1HD ARG 48 HD2 ARG 48 -4.871 -5.163 -12.525 383 2HD ARG 48 HD3 ARG 48 -5.658 -4.526 -11.082 384 HE ARG 48 HE ARG 48 -4.746 -2.362 -12.614 385 1HH1 ARG 48 HH12 ARG 48 -7.139 -4.918 -12.792 386 2HH1 ARG 48 HH11 ARG 48 -8.228 -3.993 -13.793 387 1HH2 ARG 48 HH22 ARG 48 -6.182 -1.157 -13.923 388 2HH2 ARG 48 HH21 ARG 48 -7.688 -1.870 -14.432 389 H MET 49 HN MET 49 -2.876 -2.362 -7.055 390 HA MET 49 HA MET 49 -3.758 0.331 -6.979 391 1HB MET 49 HB2 MET 49 -2.988 -1.649 -4.884 392 2HB MET 49 HB3 MET 49 -3.358 0.016 -4.462 393 1HG MET 49 HG2 MET 49 -5.133 -2.090 -4.818 394 2HG MET 49 HG3 MET 49 -5.519 -0.406 -4.519 395 1HE MET 49 HE3 MET 49 -7.172 0.730 -5.876 396 2HE MET 49 HE1 MET 49 -7.918 0.006 -7.303 397 3HE MET 49 HE2 MET 49 -7.953 -0.850 -5.757 398 H LEU 50 HN LEU 50 -0.619 -1.199 -6.467 399 HA LEU 50 HA LEU 50 0.803 0.987 -5.403 400 1HB LEU 50 HB2 LEU 50 1.552 -1.498 -6.899 401 2HB LEU 50 HB3 LEU 50 2.769 -0.245 -6.716 402 HG LEU 50 HG LEU 50 1.302 -1.299 -4.332 403 1HD1 LEU 50 HD13 LEU 50 3.520 -2.610 -5.830 404 2HD1 LEU 50 HD11 LEU 50 3.420 -2.781 -4.080 405 3HD1 LEU 50 HD12 LEU 50 2.095 -3.345 -5.095 406 1HD2 LEU 50 HD21 LEU 50 3.982 -0.019 -4.730 407 2HD2 LEU 50 HD22 LEU 50 2.567 0.663 -3.923 408 3HD2 LEU 50 HD23 LEU 50 3.421 -0.700 -3.203 409 H THR 51 HN THR 51 0.160 0.019 -8.763 410 HA THR 51 HA THR 51 1.600 2.170 -9.965 411 HB THR 51 HB THR 51 -0.686 0.667 -11.260 412 HG1 THR 51 HG1 THR 51 1.879 -0.245 -10.543 413 1HG2 THR 51 HG23 THR 51 0.730 2.572 -12.402 414 2HG2 THR 51 HG22 THR 51 1.901 1.269 -12.605 415 3HG2 THR 51 HG21 THR 51 0.280 1.112 -13.284 416 H LYS 52 HN LYS 52 -1.846 1.649 -9.192 417 HA LYS 52 HA LYS 52 -2.902 3.991 -10.323 418 1HB LYS 52 HB2 LYS 52 -4.281 2.093 -9.593 419 2HB LYS 52 HB3 LYS 52 -3.893 2.435 -7.916 420 1HG LYS 52 HG2 LYS 52 -5.027 4.737 -9.304 421 2HG LYS 52 HG3 LYS 52 -6.095 3.334 -9.302 422 1HD LYS 52 HD2 LYS 52 -6.049 3.199 -6.911 423 2HD LYS 52 HD3 LYS 52 -4.764 4.404 -6.813 424 1HE LYS 52 HE2 LYS 52 -6.862 5.429 -6.217 425 2HE LYS 52 HE3 LYS 52 -6.313 6.084 -7.761 426 1HZ LYS 52 HZ1 LYS 52 -8.279 3.865 -7.550 427 2HZ LYS 52 HZ3 LYS 52 -8.730 5.503 -7.638 428 3HZ LYS 52 HZ2 LYS 52 -7.890 4.781 -8.934 429 H PHE 53 HN PHE 53 -1.990 3.398 -6.913 430 HA PHE 53 HA PHE 53 -2.395 6.126 -6.138 431 1HB PHE 53 HB2 PHE 53 -1.068 3.791 -4.738 432 2HB PHE 53 HB3 PHE 53 -1.213 5.386 -4.010 433 HD1 PHE 53 HD1 PHE 53 -3.756 6.360 -4.257 434 HD2 PHE 53 HD2 PHE 53 -2.624 2.261 -4.090 435 HE1 PHE 53 HE1 PHE 53 -6.011 5.767 -3.464 436 HE2 PHE 53 HE2 PHE 53 -4.860 1.662 -3.297 437 HZ PHE 53 HZ PHE 53 -6.564 3.406 -2.993 438 H GLY 54 HN GLY 54 0.259 4.393 -7.531 439 1HA GLY 54 HA1 GLY 54 2.219 5.200 -8.421 440 2HA GLY 54 HA2 GLY 54 1.765 6.809 -7.880 441 H ALA 55 HN ALA 55 2.676 3.694 -6.377 442 HA ALA 55 HA ALA 55 4.036 5.032 -4.201 443 1HB ALA 55 HB1 ALA 55 2.805 2.908 -3.883 444 2HB ALA 55 HB2 ALA 55 4.008 2.096 -4.881 445 3HB ALA 55 HB3 ALA 55 4.481 2.820 -3.346 446 H VAL 56 HN VAL 56 6.260 4.940 -3.753 447 HA VAL 56 HA VAL 56 8.043 4.195 -5.987 448 HB VAL 56 HB VAL 56 9.416 6.155 -5.629 449 1HG1 VAL 56 HG13 VAL 56 7.492 6.393 -7.151 450 2HG1 VAL 56 HG11 VAL 56 6.526 7.012 -5.808 451 3HG1 VAL 56 HG12 VAL 56 7.928 7.917 -6.373 452 1HG2 VAL 56 HG21 VAL 56 7.581 6.688 -3.312 453 2HG2 VAL 56 HG22 VAL 56 9.346 6.662 -3.354 454 3HG2 VAL 56 HG23 VAL 56 8.464 8.000 -4.092 455 H ARG 57 HN ARG 57 9.986 3.210 -5.375 456 HA ARG 57 HA ARG 57 10.137 2.356 -2.581 457 1HB ARG 57 HB2 ARG 57 11.765 1.501 -4.967 458 2HB ARG 57 HB3 ARG 57 11.946 0.846 -3.348 459 1HG ARG 57 HG2 ARG 57 9.279 0.521 -3.827 460 2HG ARG 57 HG3 ARG 57 9.968 0.249 -5.416 461 1HD ARG 57 HD2 ARG 57 10.335 -1.287 -2.876 462 2HD ARG 57 HD3 ARG 57 9.950 -1.873 -4.493 463 HE ARG 57 HE ARG 57 12.541 -0.733 -4.487 464 1HH1 ARG 57 HH12 ARG 57 10.827 -3.570 -3.322 465 2HH1 ARG 57 HH11 ARG 57 12.244 -4.583 -3.337 466 1HH2 ARG 57 HH22 ARG 57 14.370 -2.051 -4.496 467 2HH2 ARG 57 HH21 ARG 57 14.253 -3.709 -3.999 468 H THR 58 HN THR 58 11.694 2.944 -1.164 469 HA THR 58 HA THR 58 14.058 4.405 -2.008 470 HB THR 58 HB THR 58 12.157 6.107 -1.867 471 HG1 THR 58 HG1 THR 58 14.378 6.693 -1.696 472 1HG2 THR 58 HG21 THR 58 11.159 5.148 0.237 473 2HG2 THR 58 HG23 THR 58 12.506 5.884 1.103 474 3HG2 THR 58 HG22 THR 58 11.382 6.896 0.199 475 H ARG 59 HN ARG 59 15.516 4.877 -0.153 476 HA ARG 59 HA ARG 59 15.636 2.647 1.633 477 1HB ARG 59 HB2 ARG 59 17.341 5.005 0.998 478 2HB ARG 59 HB3 ARG 59 17.584 4.237 2.551 479 1HG ARG 59 HG2 ARG 59 17.664 2.047 1.075 480 2HG ARG 59 HG3 ARG 59 18.115 3.206 -0.183 481 1HD ARG 59 HD2 ARG 59 19.515 2.756 2.449 482 2HD ARG 59 HD3 ARG 59 20.109 2.333 0.849 483 HE ARG 59 HE ARG 59 19.584 5.075 0.858 484 1HH1 ARG 59 HH12 ARG 59 21.755 2.829 2.410 485 2HH1 ARG 59 HH11 ARG 59 23.023 3.996 2.631 486 1HH2 ARG 59 HH22 ARG 59 21.234 6.625 1.134 487 2HH2 ARG 59 HH21 ARG 59 22.731 6.163 1.901 488 H ASN 60 HN ASN 60 14.661 2.482 3.551 489 HA ASN 60 HA ASN 60 13.495 4.830 4.816 490 1HB ASN 60 HB2 ASN 60 12.263 3.294 6.205 491 2HB ASN 60 HB3 ASN 60 12.170 2.759 4.539 492 1HD2 ASN 60 HD22 ASN 60 12.679 -0.249 6.540 493 2HD2 ASN 60 HD21 ASN 60 11.463 0.964 6.321 494 H ALA 61 HN ALA 61 13.525 3.891 7.504 495 HA ALA 61 HA ALA 61 15.849 5.126 8.470 496 1HB ALA 61 HB3 ALA 61 13.727 4.973 9.722 497 2HB ALA 61 HB1 ALA 61 14.028 3.257 9.992 498 3HB ALA 61 HB2 ALA 61 15.119 4.463 10.676 499 H LYS 62 HN LYS 62 15.353 1.841 7.493 500 HA LYS 62 HA LYS 62 17.853 0.992 8.816 501 1HB LYS 62 HB2 LYS 62 15.553 -0.642 7.746 502 2HB LYS 62 HB3 LYS 62 17.077 -1.319 8.307 503 1HG LYS 62 HG2 LYS 62 16.605 -0.912 10.508 504 2HG LYS 62 HG3 LYS 62 15.583 0.479 10.151 505 1HD LYS 62 HD2 LYS 62 13.873 -1.090 9.229 506 2HD LYS 62 HD3 LYS 62 14.881 -2.431 9.771 507 1HE LYS 62 HE2 LYS 62 13.637 -0.307 11.521 508 2HE LYS 62 HE3 LYS 62 13.109 -1.985 11.377 509 1HZ LYS 62 HZ3 LYS 62 15.647 -2.367 12.040 510 2HZ LYS 62 HZ2 LYS 62 15.389 -0.871 12.820 511 3HZ LYS 62 HZ1 LYS 62 14.406 -2.212 13.192 512 H MET 63 HN MET 63 17.371 2.423 6.101 513 HA MET 63 HA MET 63 18.458 2.495 4.118 514 1HB MET 63 HB2 MET 63 20.118 0.083 4.795 515 2HB MET 63 HB3 MET 63 20.568 1.529 3.920 516 1HG MET 63 HG2 MET 63 20.254 1.196 6.865 517 2HG MET 63 HG3 MET 63 21.711 1.598 5.965 518 1HE MET 63 HE3 MET 63 20.662 2.731 8.463 519 2HE MET 63 HE1 MET 63 21.484 4.257 8.154 520 3HE MET 63 HE2 MET 63 19.742 4.235 8.426 521 H GLU 64 HN GLU 64 16.239 0.330 4.743 522 HA GLU 64 HA GLU 64 16.693 -1.530 2.544 523 1HB GLU 64 HB2 GLU 64 14.293 -1.257 4.373 524 2HB GLU 64 HB3 GLU 64 14.604 -2.574 3.247 525 1HG GLU 64 HG2 GLU 64 16.802 -2.851 4.637 526 2HG GLU 64 HG3 GLU 64 15.900 -1.968 5.864 527 H MET 65 HN MET 65 15.780 -1.393 0.565 528 HA MET 65 HA MET 65 14.454 1.018 -0.246 529 1HB MET 65 HB2 MET 65 14.913 -1.571 -1.758 530 2HB MET 65 HB3 MET 65 14.349 -0.067 -2.473 531 1HG MET 65 HG2 MET 65 17.016 -0.445 -1.125 532 2HG MET 65 HG3 MET 65 16.737 -0.486 -2.859 533 1HE MET 65 HE2 MET 65 16.334 1.354 -4.344 534 2HE MET 65 HE3 MET 65 14.850 1.964 -3.619 535 3HE MET 65 HE1 MET 65 16.191 3.061 -3.936 536 H VAL 66 HN VAL 66 12.496 1.136 0.896 537 HA VAL 66 HA VAL 66 10.546 -1.020 0.435 538 HB VAL 66 HB VAL 66 9.308 -0.088 2.387 539 1HG1 VAL 66 HG11 VAL 66 12.168 -0.956 2.825 540 2HG1 VAL 66 HG12 VAL 66 10.931 -0.916 4.080 541 3HG1 VAL 66 HG13 VAL 66 10.750 -1.994 2.694 542 1HG2 VAL 66 HG23 VAL 66 11.760 1.675 2.605 543 2HG2 VAL 66 HG21 VAL 66 10.083 2.193 2.423 544 3HG2 VAL 66 HG22 VAL 66 10.611 1.414 3.912 545 H TYR 67 HN TYR 67 8.415 -0.554 -0.046 546 HA TYR 67 HA TYR 67 7.926 1.526 -1.935 547 1HB TYR 67 HB2 TYR 67 6.292 -0.660 -0.659 548 2HB TYR 67 HB3 TYR 67 5.460 0.628 -1.508 549 HD1 TYR 67 HD1 TYR 67 7.042 1.123 -3.866 550 HD2 TYR 67 HD2 TYR 67 6.076 -2.554 -1.956 551 HE1 TYR 67 HE1 TYR 67 7.272 -0.045 -6.014 552 HE2 TYR 67 HE2 TYR 67 6.290 -3.738 -4.101 553 HH TYR 67 HH TYR 67 6.235 -2.283 -6.999 554 H CYS 68 HN CYS 68 7.648 3.599 -1.316 555 HA CYS 68 HA CYS 68 5.896 4.148 1.006 556 1HB CYS 68 HB2 CYS 68 7.084 6.263 1.350 557 2HB CYS 68 HB3 CYS 68 8.198 4.914 1.457 558 HG CYS 68 HG CYS 68 8.093 6.544 -1.172 559 H LEU 69 HN LEU 69 4.906 6.414 0.772 560 HA LEU 69 HA LEU 69 3.790 6.588 -1.946 561 1HB LEU 69 HB2 LEU 69 2.451 6.152 0.338 562 2HB LEU 69 HB3 LEU 69 2.423 7.906 0.339 563 HG LEU 69 HG LEU 69 1.368 7.869 -1.901 564 1HD1 LEU 69 HD13 LEU 69 2.045 5.054 -1.707 565 2HD1 LEU 69 HD11 LEU 69 0.347 5.305 -2.112 566 3HD1 LEU 69 HD12 LEU 69 1.610 6.018 -3.116 567 1HD2 LEU 69 HD22 LEU 69 0.041 6.424 0.375 568 2HD2 LEU 69 HD23 LEU 69 -0.114 8.118 -0.095 569 3HD2 LEU 69 HD21 LEU 69 -0.812 6.857 -1.109 570 HA PRO 70 HA PRO 70 5.689 10.713 -2.307 571 1HB PRO 70 HB2 PRO 70 3.868 10.967 -4.619 572 2HB PRO 70 HB3 PRO 70 5.629 11.063 -4.558 573 1HG PRO 70 HG2 PRO 70 4.386 8.970 -5.660 574 2HG PRO 70 HG3 PRO 70 5.886 8.772 -4.734 575 1HD PRO 70 HD2 PRO 70 3.048 8.280 -3.864 576 2HD PRO 70 HD3 PRO 70 4.491 7.272 -3.626 577 H ALA 71 HN ALA 71 4.008 12.663 -3.607 578 HA ALA 71 HA ALA 71 2.552 13.774 -1.460 579 1HB ALA 71 HB3 ALA 71 3.372 15.130 -3.316 580 2HB ALA 71 HB1 ALA 71 2.259 14.322 -4.422 581 3HB ALA 71 HB2 ALA 71 1.631 15.336 -3.121 582 H GLU 72 HN GLU 72 0.155 14.185 -1.429 583 HA GLU 72 HA GLU 72 -1.262 11.757 -1.452 584 1HB GLU 72 HB2 GLU 72 -2.322 14.585 -1.261 585 2HB GLU 72 HB3 GLU 72 -3.200 13.136 -0.822 586 1HG GLU 72 HG2 GLU 72 -0.596 13.829 0.486 587 2HG GLU 72 HG3 GLU 72 -2.117 14.520 1.039 588 H LEU 73 HN LEU 73 -1.182 10.894 -3.525 589 HA LEU 73 HA LEU 73 -2.435 12.300 -5.750 590 1HB LEU 73 HB2 LEU 73 -0.309 10.668 -5.705 591 2HB LEU 73 HB3 LEU 73 -1.541 9.458 -5.994 592 HG LEU 73 HG LEU 73 -2.277 10.995 -7.946 593 1HD1 LEU 73 HD11 LEU 73 -0.739 12.850 -7.084 594 2HD1 LEU 73 HD12 LEU 73 0.567 11.921 -7.814 595 3HD1 LEU 73 HD13 LEU 73 -0.751 12.526 -8.816 596 1HD2 LEU 73 HD21 LEU 73 0.255 9.371 -7.941 597 2HD2 LEU 73 HD22 LEU 73 -1.366 8.857 -8.404 598 3HD2 LEU 73 HD23 LEU 73 -0.484 10.003 -9.411 599 H GLY 74 HN GLY 74 -4.491 12.350 -4.536 600 1HA GLY 74 HA1 GLY 74 -6.247 10.236 -5.428 601 2HA GLY 74 HA2 GLY 74 -6.074 10.301 -3.676 602 H VAL 75 HN VAL 75 -5.822 13.130 -3.446 603 HA VAL 75 HA VAL 75 -8.462 14.097 -4.352 604 HB VAL 75 HB VAL 75 -8.476 15.465 -2.204 605 1HG1 VAL 75 HG23 VAL 75 -8.717 12.459 -2.031 606 2HG1 VAL 75 HG21 VAL 75 -9.400 13.608 -0.877 607 3HG1 VAL 75 HG22 VAL 75 -9.972 13.588 -2.546 608 1HG2 VAL 75 HG13 VAL 75 -5.933 14.427 -1.849 609 2HG2 VAL 75 HG11 VAL 75 -6.905 15.238 -0.624 610 3HG2 VAL 75 HG12 VAL 75 -6.923 13.477 -0.743 611 HA PRO 76 HA PRO 76 -5.065 16.913 -5.886 612 1HB PRO 76 HB2 PRO 76 -6.182 17.358 -8.336 613 2HB PRO 76 HB3 PRO 76 -5.142 15.976 -7.978 614 1HG PRO 76 HG2 PRO 76 -8.132 16.119 -8.076 615 2HG PRO 76 HG3 PRO 76 -7.049 14.882 -8.740 616 1HD PRO 76 HD2 PRO 76 -8.370 14.536 -6.418 617 2HD PRO 76 HD3 PRO 76 -6.752 13.857 -6.693 618 H THR 77 HN THR 77 -5.085 19.037 -5.481 619 HA THR 77 HA THR 77 -7.470 20.646 -5.964 620 HB THR 77 HB THR 77 -7.638 19.694 -3.620 621 HG1 THR 77 HG1 THR 77 -8.715 21.588 -4.097 622 1HG2 THR 77 HG23 THR 77 -5.037 20.133 -3.218 623 2HG2 THR 77 HG22 THR 77 -5.680 21.634 -2.555 624 3HG2 THR 77 HG21 THR 77 -6.223 20.084 -1.917 625 H THR 78 HN THR 78 -5.371 20.833 -7.504 626 HA THR 78 HA THR 78 -4.146 23.405 -6.803 627 HB THR 78 HB THR 78 -2.006 22.427 -7.989 628 HG1 THR 78 HG1 THR 78 -3.129 20.362 -8.360 629 1HG2 THR 78 HG21 THR 78 -2.707 21.767 -5.140 630 2HG2 THR 78 HG23 THR 78 -1.092 21.613 -5.838 631 3HG2 THR 78 HG22 THR 78 -1.865 23.197 -5.738 No H/Q in entry = 631 Start of MODEL 18 1 1H MET 1 HT3 MET 1 -22.156 9.842 12.107 2 2H MET 1 HT2 MET 1 -22.241 8.799 13.474 3 3H MET 1 HT1 MET 1 -21.274 10.228 13.533 4 HA MET 1 HA MET 1 -19.769 9.387 11.989 5 1HB MET 1 HB2 MET 1 -20.521 7.221 13.989 6 2HB MET 1 HB3 MET 1 -18.949 7.411 13.224 7 1HG MET 1 HG2 MET 1 -18.517 8.396 15.221 8 2HG MET 1 HG3 MET 1 -19.079 9.801 14.325 9 1HE MET 1 HE2 MET 1 -19.384 7.720 17.406 10 2HE MET 1 HE3 MET 1 -21.078 7.780 17.893 11 3HE MET 1 HE1 MET 1 -20.598 6.799 16.512 12 H ARG 2 HN ARG 2 -21.236 9.205 10.043 13 HA ARG 2 HA ARG 2 -21.491 6.378 9.228 14 1HB ARG 2 HB2 ARG 2 -23.556 8.537 8.683 15 2HB ARG 2 HB3 ARG 2 -23.612 6.883 8.085 16 1HG ARG 2 HG2 ARG 2 -23.624 6.157 10.523 17 2HG ARG 2 HG3 ARG 2 -23.936 7.853 10.910 18 1HD ARG 2 HD2 ARG 2 -26.050 6.789 10.818 19 2HD ARG 2 HD3 ARG 2 -25.902 7.745 9.338 20 HE ARG 2 HE ARG 2 -24.990 5.150 8.794 21 1HH1 ARG 2 HH12 ARG 2 -27.978 6.804 9.589 22 2HH1 ARG 2 HH11 ARG 2 -28.981 5.652 8.748 23 1HH2 ARG 2 HH22 ARG 2 -26.296 3.646 7.698 24 2HH2 ARG 2 HH21 ARG 2 -28.024 3.857 7.672 25 H SER 3 HN SER 3 -19.763 6.367 7.865 26 HA SER 3 HA SER 3 -19.517 8.457 5.820 27 1HB SER 3 HB2 SER 3 -17.359 7.076 5.276 28 2HB SER 3 HB3 SER 3 -17.392 8.092 6.709 29 HG SER 3 HG SER 3 -17.891 6.219 7.943 30 H SER 4 HN SER 4 -19.890 4.940 6.125 31 HA SER 4 HA SER 4 -20.703 3.348 4.723 32 1HB SER 4 HB2 SER 4 -21.706 5.590 2.937 33 2HB SER 4 HB3 SER 4 -22.265 3.920 2.969 34 HG SER 4 HG SER 4 -23.075 6.009 4.468 35 H ALA 5 HN ALA 5 -18.330 3.097 4.487 36 HA ALA 5 HA ALA 5 -17.132 4.064 2.012 37 1HB ALA 5 HB1 ALA 5 -16.023 2.479 4.326 38 2HB ALA 5 HB2 ALA 5 -15.085 2.958 2.913 39 3HB ALA 5 HB3 ALA 5 -15.772 4.186 3.970 40 H LYS 6 HN LYS 6 -17.813 2.958 0.231 41 HA LYS 6 HA LYS 6 -18.116 0.067 0.263 42 1HB LYS 6 HB2 LYS 6 -18.569 2.207 -1.785 43 2HB LYS 6 HB3 LYS 6 -18.376 0.541 -2.313 44 1HG LYS 6 HG2 LYS 6 -20.720 1.069 -2.054 45 2HG LYS 6 HG3 LYS 6 -20.233 -0.140 -0.868 46 1HD LYS 6 HD2 LYS 6 -20.251 1.441 0.895 47 2HD LYS 6 HD3 LYS 6 -20.337 2.800 -0.227 48 1HE LYS 6 HE2 LYS 6 -22.496 2.408 0.830 49 2HE LYS 6 HE3 LYS 6 -22.582 2.114 -0.907 50 1HZ LYS 6 HZ1 LYS 6 -22.109 -0.113 0.985 51 2HZ LYS 6 HZ3 LYS 6 -23.682 0.452 0.671 52 3HZ LYS 6 HZ2 LYS 6 -22.734 -0.171 -0.600 53 H GLN 7 HN GLN 7 -16.037 -0.533 0.844 54 HA GLN 7 HA GLN 7 -13.992 -1.381 0.536 55 1HB GLN 7 HB2 GLN 7 -15.105 -1.927 -1.747 56 2HB GLN 7 HB3 GLN 7 -14.010 -0.700 -2.373 57 1HG GLN 7 HG2 GLN 7 -12.519 -2.337 -2.555 58 2HG GLN 7 HG3 GLN 7 -12.356 -2.193 -0.805 59 1HE2 GLN 7 HE22 GLN 7 -13.645 -5.342 -0.133 60 2HE2 GLN 7 HE21 GLN 7 -12.933 -3.880 0.447 61 H GLU 8 HN GLU 8 -14.463 1.703 0.715 62 HA GLU 8 HA GLU 8 -11.962 2.754 -0.333 63 1HB GLU 8 HB2 GLU 8 -13.779 4.125 1.656 64 2HB GLU 8 HB3 GLU 8 -12.611 4.861 0.570 65 1HG GLU 8 HG2 GLU 8 -14.034 4.151 -1.343 66 2HG GLU 8 HG3 GLU 8 -15.231 3.582 -0.186 67 H GLU 9 HN GLU 9 -12.754 0.866 2.303 68 HA GLU 9 HA GLU 9 -11.055 2.128 4.294 69 1HB GLU 9 HB2 GLU 9 -12.532 -0.509 4.305 70 2HB GLU 9 HB3 GLU 9 -11.589 0.105 5.661 71 1HG GLU 9 HG2 GLU 9 -13.857 1.639 4.429 72 2HG GLU 9 HG3 GLU 9 -14.092 0.489 5.741 73 H LEU 10 HN LEU 10 -10.974 -0.579 2.091 74 HA LEU 10 HA LEU 10 -8.485 -1.704 2.837 75 1HB LEU 10 HB2 LEU 10 -9.859 -3.025 1.472 76 2HB LEU 10 HB3 LEU 10 -10.156 -1.726 0.335 77 HG LEU 10 HG LEU 10 -7.871 -1.946 -0.523 78 1HD1 LEU 10 HD11 LEU 10 -7.587 -3.688 1.823 79 2HD1 LEU 10 HD12 LEU 10 -6.875 -4.312 0.338 80 3HD1 LEU 10 HD13 LEU 10 -6.382 -2.739 0.953 81 1HD2 LEU 10 HD21 LEU 10 -9.824 -3.307 -1.387 82 2HD2 LEU 10 HD22 LEU 10 -8.213 -3.915 -1.772 83 3HD2 LEU 10 HD23 LEU 10 -9.156 -4.663 -0.478 84 H VAL 11 HN VAL 11 -9.437 1.092 1.010 85 HA VAL 11 HA VAL 11 -6.873 1.590 -0.196 86 HB VAL 11 HB VAL 11 -9.320 3.337 0.149 87 1HG1 VAL 11 HG11 VAL 11 -6.601 4.067 -0.851 88 2HG1 VAL 11 HG12 VAL 11 -8.020 4.760 -1.634 89 3HG1 VAL 11 HG13 VAL 11 -7.749 5.021 0.087 90 1HG2 VAL 11 HG22 VAL 11 -8.055 1.950 -2.207 91 2HG2 VAL 11 HG23 VAL 11 -9.622 1.610 -1.475 92 3HG2 VAL 11 HG21 VAL 11 -9.364 3.123 -2.344 93 H LYS 12 HN LYS 12 -8.596 3.145 2.605 94 HA LYS 12 HA LYS 12 -6.600 4.902 3.366 95 1HB LYS 12 HB2 LYS 12 -8.529 3.389 5.103 96 2HB LYS 12 HB3 LYS 12 -7.377 4.533 5.772 97 1HG LYS 12 HG2 LYS 12 -8.776 6.188 5.362 98 2HG LYS 12 HG3 LYS 12 -8.683 5.839 3.630 99 1HD LYS 12 HD2 LYS 12 -10.340 4.009 4.082 100 2HD LYS 12 HD3 LYS 12 -10.605 4.738 5.659 101 1HE LYS 12 HE2 LYS 12 -10.963 6.916 4.175 102 2HE LYS 12 HE3 LYS 12 -11.373 5.725 2.946 103 1HZ LYS 12 HZ3 LYS 12 -12.829 4.806 4.956 104 2HZ LYS 12 HZ2 LYS 12 -12.796 6.447 5.395 105 3HZ LYS 12 HZ1 LYS 12 -13.411 5.988 3.874 106 H ALA 13 HN ALA 13 -6.988 1.559 4.497 107 HA ALA 13 HA ALA 13 -4.690 1.377 6.084 108 1HB ALA 13 HB2 ALA 13 -6.129 -0.782 4.547 109 2HB ALA 13 HB3 ALA 13 -4.924 -1.065 5.801 110 3HB ALA 13 HB1 ALA 13 -6.442 -0.271 6.203 111 H PHE 14 HN PHE 14 -5.118 0.639 2.620 112 HA PHE 14 HA PHE 14 -2.612 -0.423 2.000 113 1HB PHE 14 HB2 PHE 14 -4.650 -0.201 0.483 114 2HB PHE 14 HB3 PHE 14 -4.177 1.449 0.216 115 HD1 PHE 14 HD2 PHE 14 -3.293 -2.043 -0.408 116 HD2 PHE 14 HD1 PHE 14 -2.314 2.028 -1.178 117 HE1 PHE 14 HE2 PHE 14 -1.812 -2.746 -2.232 118 HE2 PHE 14 HE1 PHE 14 -0.828 1.323 -3.008 119 HZ PHE 14 HZ PHE 14 -0.579 -1.060 -3.527 120 H LYS 15 HN LYS 15 -3.617 2.938 1.454 121 HA LYS 15 HA LYS 15 -1.219 4.132 0.873 122 1HB LYS 15 HB2 LYS 15 -3.362 5.437 2.584 123 2HB LYS 15 HB3 LYS 15 -2.273 6.225 1.444 124 1HG LYS 15 HG2 LYS 15 -4.201 4.162 0.466 125 2HG LYS 15 HG3 LYS 15 -4.767 5.789 0.814 126 1HD LYS 15 HD2 LYS 15 -2.311 5.716 -0.765 127 2HD LYS 15 HD3 LYS 15 -3.652 4.877 -1.537 128 1HE LYS 15 HE2 LYS 15 -3.489 7.291 -2.170 129 2HE LYS 15 HE3 LYS 15 -5.037 6.837 -1.452 130 1HZ LYS 15 HZ1 LYS 15 -4.245 7.740 0.681 131 2HZ LYS 15 HZ3 LYS 15 -2.815 8.246 -0.075 132 3HZ LYS 15 HZ2 LYS 15 -4.298 8.922 -0.546 133 H ALA 16 HN ALA 16 -2.574 3.619 4.111 134 HA ALA 16 HA ALA 16 -0.663 5.056 5.584 135 1HB ALA 16 HB2 ALA 16 -2.925 4.266 6.385 136 2HB ALA 16 HB3 ALA 16 -2.193 2.680 6.631 137 3HB ALA 16 HB1 ALA 16 -1.596 4.077 7.526 138 H LEU 17 HN LEU 17 -0.804 1.572 4.795 139 HA LEU 17 HA LEU 17 1.452 0.745 6.255 140 1HB LEU 17 HB2 LEU 17 0.259 -0.364 3.704 141 2HB LEU 17 HB3 LEU 17 1.534 -1.160 4.601 142 HG LEU 17 HG LEU 17 -1.282 -0.659 5.513 143 1HD1 LEU 17 HD13 LEU 17 0.285 -3.131 4.856 144 2HD1 LEU 17 HD11 LEU 17 -1.251 -3.161 5.721 145 3HD1 LEU 17 HD12 LEU 17 -1.177 -2.537 4.072 146 1HD2 LEU 17 HD21 LEU 17 1.118 -1.565 7.052 147 2HD2 LEU 17 HD22 LEU 17 -0.066 -0.330 7.475 148 3HD2 LEU 17 HD23 LEU 17 -0.514 -2.033 7.523 149 H LEU 18 HN LEU 18 1.203 1.836 2.869 150 HA LEU 18 HA LEU 18 3.918 1.446 2.177 151 1HB LEU 18 HB2 LEU 18 2.091 3.594 1.121 152 2HB LEU 18 HB3 LEU 18 3.540 2.985 0.345 153 HG LEU 18 HG LEU 18 1.342 1.063 0.939 154 1HD1 LEU 18 HD13 LEU 18 0.884 3.434 -0.516 155 2HD1 LEU 18 HD11 LEU 18 0.995 2.114 -1.687 156 3HD1 LEU 18 HD12 LEU 18 -0.160 2.022 -0.360 157 1HD2 LEU 18 HD23 LEU 18 3.353 1.344 -1.281 158 2HD2 LEU 18 HD21 LEU 18 3.400 0.185 0.053 159 3HD2 LEU 18 HD22 LEU 18 2.134 0.076 -1.173 160 H LYS 19 HN LYS 19 2.269 4.294 3.509 161 HA LYS 19 HA LYS 19 4.499 6.002 3.449 162 1HB LYS 19 HB2 LYS 19 1.931 6.039 5.018 163 2HB LYS 19 HB3 LYS 19 3.138 7.311 5.180 164 1HG LYS 19 HG2 LYS 19 3.002 7.569 2.664 165 2HG LYS 19 HG3 LYS 19 1.565 6.542 2.727 166 1HD LYS 19 HD2 LYS 19 0.843 8.833 2.761 167 2HD LYS 19 HD3 LYS 19 0.599 8.185 4.387 168 1HE LYS 19 HE2 LYS 19 2.310 9.429 5.294 169 2HE LYS 19 HE3 LYS 19 3.183 9.537 3.764 170 1HZ LYS 19 HZ1 LYS 19 0.662 10.860 3.623 171 2HZ LYS 19 HZ3 LYS 19 1.615 11.478 4.896 172 3HZ LYS 19 HZ2 LYS 19 2.220 11.454 3.300 173 H GLU 20 HN GLU 20 4.055 3.310 5.447 174 HA GLU 20 HA GLU 20 5.391 4.303 7.806 175 1HB GLU 20 HB2 GLU 20 4.769 1.500 6.849 176 2HB GLU 20 HB3 GLU 20 5.619 1.831 8.349 177 1HG GLU 20 HG2 GLU 20 3.704 3.007 9.227 178 2HG GLU 20 HG3 GLU 20 2.853 2.814 7.696 179 H GLU 21 HN GLU 21 6.393 3.087 4.717 180 HA GLU 21 HA GLU 21 8.410 2.715 3.741 181 1HB GLU 21 HB2 GLU 21 9.689 4.010 6.164 182 2HB GLU 21 HB3 GLU 21 10.390 3.815 4.564 183 1HG GLU 21 HG2 GLU 21 8.708 5.340 3.639 184 2HG GLU 21 HG3 GLU 21 8.019 5.554 5.245 185 H LYS 22 HN LYS 22 7.407 0.584 4.680 186 HA LYS 22 HA LYS 22 9.557 -0.937 5.997 187 1HB LYS 22 HB2 LYS 22 8.170 -0.541 7.829 188 2HB LYS 22 HB3 LYS 22 6.708 -0.533 6.863 189 1HG LYS 22 HG2 LYS 22 6.315 -2.704 7.183 190 2HG LYS 22 HG3 LYS 22 8.003 -3.148 7.001 191 1HD LYS 22 HD2 LYS 22 7.725 -3.649 9.201 192 2HD LYS 22 HD3 LYS 22 8.250 -1.976 9.344 193 1HE LYS 22 HE2 LYS 22 5.335 -2.700 9.170 194 2HE LYS 22 HE3 LYS 22 6.202 -2.750 10.703 195 1HZ LYS 22 HZ3 LYS 22 6.873 -0.306 9.828 196 2HZ LYS 22 HZ2 LYS 22 5.314 -0.465 9.152 197 3HZ LYS 22 HZ1 LYS 22 5.528 -0.627 10.824 198 H PHE 23 HN PHE 23 6.970 -0.793 3.725 199 HA PHE 23 HA PHE 23 6.848 -3.617 3.226 200 1HB PHE 23 HB2 PHE 23 5.452 -1.150 2.215 201 2HB PHE 23 HB3 PHE 23 5.176 -2.713 1.474 202 HD1 PHE 23 HD1 PHE 23 4.927 -0.745 4.541 203 HD2 PHE 23 HD2 PHE 23 4.048 -4.488 2.739 204 HE1 PHE 23 HE1 PHE 23 3.560 -1.340 6.482 205 HE2 PHE 23 HE2 PHE 23 2.661 -5.090 4.680 206 HZ PHE 23 HZ PHE 23 2.403 -3.516 6.551 207 H SER 24 HN SER 24 8.537 -4.491 2.169 208 HA SER 24 HA SER 24 9.966 -3.066 0.176 209 1HB SER 24 HB2 SER 24 11.434 -4.965 0.073 210 2HB SER 24 HB3 SER 24 11.030 -4.652 1.754 211 HG SER 24 HG SER 24 9.499 -6.357 1.650 212 H SER 25 HN SER 25 7.903 -5.953 -0.035 213 HA SER 25 HA SER 25 7.623 -5.383 -2.922 214 1HB SER 25 HB2 SER 25 7.170 -7.874 -3.172 215 2HB SER 25 HB3 SER 25 8.833 -7.430 -2.794 216 HG SER 25 HG SER 25 8.697 -8.499 -1.001 217 H GLN 26 HN GLN 26 5.584 -6.417 -3.819 218 HA GLN 26 HA GLN 26 3.279 -5.291 -2.643 219 1HB GLN 26 HB2 GLN 26 3.301 -7.582 -4.602 220 2HB GLN 26 HB3 GLN 26 2.084 -6.372 -4.376 221 1HG GLN 26 HG2 GLN 26 2.998 -5.439 -6.190 222 2HG GLN 26 HG3 GLN 26 4.130 -4.773 -5.018 223 1HE2 GLN 26 HE22 GLN 26 5.957 -6.333 -7.879 224 2HE2 GLN 26 HE21 GLN 26 4.685 -5.166 -7.754 225 H GLY 27 HN GLY 27 4.267 -8.693 -2.912 226 1HA GLY 27 HA1 GLY 27 2.342 -10.065 -1.612 227 2HA GLY 27 HA2 GLY 27 4.033 -10.480 -1.459 228 H GLU 28 HN GLU 28 4.810 -8.146 0.083 229 HA GLU 28 HA GLU 28 4.207 -9.070 2.697 230 1HB GLU 28 HB2 GLU 28 5.406 -6.410 1.873 231 2HB GLU 28 HB3 GLU 28 5.464 -7.122 3.481 232 1HG GLU 28 HG2 GLU 28 6.626 -9.112 2.226 233 2HG GLU 28 HG3 GLU 28 6.957 -7.878 1.012 234 H ILE 29 HN ILE 29 3.092 -6.222 0.859 235 HA ILE 29 HA ILE 29 1.360 -5.343 2.998 236 HB ILE 29 HB ILE 29 1.861 -3.439 1.995 237 1HG1 ILE 29 HG12 ILE 29 -0.221 -4.218 -0.040 238 2HG1 ILE 29 HG13 ILE 29 -0.544 -3.530 1.556 239 1HG2 ILE 29 HG22 ILE 29 3.472 -4.455 0.468 240 2HG2 ILE 29 HG23 ILE 29 2.177 -4.750 -0.687 241 3HG2 ILE 29 HG21 ILE 29 2.627 -3.101 -0.271 242 1HD1 ILE 29 HD11 ILE 29 1.212 -1.723 0.524 243 2HD1 ILE 29 HD12 ILE 29 0.336 -2.231 -0.919 244 3HD1 ILE 29 HD13 ILE 29 -0.545 -1.578 0.464 245 H VAL 30 HN VAL 30 1.100 -7.495 0.341 246 HA VAL 30 HA VAL 30 -1.724 -7.573 0.001 247 HB VAL 30 HB VAL 30 0.343 -9.769 -0.370 248 1HG1 VAL 30 HG11 VAL 30 -2.547 -9.650 -1.175 249 2HG1 VAL 30 HG12 VAL 30 -1.386 -10.765 -1.887 250 3HG1 VAL 30 HG13 VAL 30 -1.748 -10.856 -0.169 251 1HG2 VAL 30 HG22 VAL 30 0.228 -7.510 -1.801 252 2HG2 VAL 30 HG23 VAL 30 0.697 -9.056 -2.494 253 3HG2 VAL 30 HG21 VAL 30 -0.949 -8.468 -2.681 254 H ALA 31 HN ALA 31 0.542 -9.362 2.054 255 HA ALA 31 HA ALA 31 -1.413 -10.928 3.423 256 1HB ALA 31 HB2 ALA 31 1.464 -10.280 4.074 257 2HB ALA 31 HB3 ALA 31 0.478 -11.426 4.980 258 3HB ALA 31 HB1 ALA 31 0.843 -11.726 3.281 259 H ALA 32 HN ALA 32 0.354 -7.944 4.241 260 HA ALA 32 HA ALA 32 -0.447 -7.575 6.845 261 1HB ALA 32 HB2 ALA 32 1.235 -6.198 5.800 262 2HB ALA 32 HB3 ALA 32 0.018 -5.441 4.772 263 3HB ALA 32 HB1 ALA 32 -0.016 -5.184 6.517 264 H LEU 33 HN LEU 33 -2.231 -6.466 3.930 265 HA LEU 33 HA LEU 33 -4.321 -5.282 5.475 266 1HB LEU 33 HB2 LEU 33 -4.325 -6.065 2.562 267 2HB LEU 33 HB3 LEU 33 -5.586 -5.124 3.360 268 HG LEU 33 HG LEU 33 -2.699 -4.230 3.227 269 1HD1 LEU 33 HD12 LEU 33 -4.734 -4.172 1.162 270 2HD1 LEU 33 HD13 LEU 33 -4.150 -2.557 1.576 271 3HD1 LEU 33 HD11 LEU 33 -3.014 -3.812 1.071 272 1HD2 LEU 33 HD22 LEU 33 -5.171 -3.178 4.411 273 2HD2 LEU 33 HD23 LEU 33 -3.484 -2.874 4.827 274 3HD2 LEU 33 HD21 LEU 33 -4.229 -2.013 3.482 275 H GLN 34 HN GLN 34 -3.739 -8.549 4.339 276 HA GLN 34 HA GLN 34 -6.423 -9.498 4.695 277 1HB GLN 34 HB2 GLN 34 -3.761 -10.906 4.528 278 2HB GLN 34 HB3 GLN 34 -5.239 -11.779 4.895 279 1HG GLN 34 HG2 GLN 34 -6.218 -11.126 2.796 280 2HG GLN 34 HG3 GLN 34 -4.839 -10.090 2.436 281 1HE2 GLN 34 HE22 GLN 34 -3.154 -12.625 0.811 282 2HE2 GLN 34 HE21 GLN 34 -3.508 -10.943 1.010 283 H GLU 35 HN GLU 35 -3.624 -9.102 6.783 284 HA GLU 35 HA GLU 35 -4.793 -10.396 9.078 285 1HB GLU 35 HB2 GLU 35 -2.384 -8.584 8.783 286 2HB GLU 35 HB3 GLU 35 -2.849 -9.362 10.291 287 1HG GLU 35 HG2 GLU 35 -2.192 -11.435 9.604 288 2HG GLU 35 HG3 GLU 35 -2.500 -11.096 7.903 289 H GLN 36 HN GLN 36 -4.683 -7.125 7.790 290 HA GLN 36 HA GLN 36 -5.498 -5.680 10.062 291 1HB GLN 36 HB2 GLN 36 -5.716 -5.178 7.110 292 2HB GLN 36 HB3 GLN 36 -6.413 -4.056 8.262 293 1HG GLN 36 HG2 GLN 36 -3.617 -4.818 8.789 294 2HG GLN 36 HG3 GLN 36 -3.879 -3.914 7.304 295 1HE2 GLN 36 HE22 GLN 36 -4.176 -0.876 8.940 296 2HE2 GLN 36 HE21 GLN 36 -3.918 -1.767 7.485 297 H GLY 37 HN GLY 37 -7.456 -6.943 7.360 298 1HA GLY 37 HA1 GLY 37 -9.580 -7.980 8.631 299 2HA GLY 37 HA2 GLY 37 -9.922 -6.260 8.749 300 H PHE 38 HN PHE 38 -8.315 -7.653 5.952 301 HA PHE 38 HA PHE 38 -10.766 -7.144 4.374 302 1HB PHE 38 HB2 PHE 38 -7.893 -6.758 3.506 303 2HB PHE 38 HB3 PHE 38 -9.322 -6.433 2.527 304 HD1 PHE 38 HD1 PHE 38 -10.923 -4.663 3.266 305 HD2 PHE 38 HD2 PHE 38 -7.136 -5.181 5.101 306 HE1 PHE 38 HE1 PHE 38 -11.076 -2.406 4.240 307 HE2 PHE 38 HE2 PHE 38 -7.275 -2.946 6.080 308 HZ PHE 38 HZ PHE 38 -9.235 -1.550 5.646 309 H ASP 39 HN ASP 39 -10.998 -8.339 2.404 310 HA ASP 39 HA ASP 39 -9.582 -10.838 2.142 311 1HB ASP 39 HB2 ASP 39 -11.780 -11.047 3.598 312 2HB ASP 39 HB3 ASP 39 -12.567 -10.934 2.036 313 H ASN 40 HN ASN 40 -9.598 -11.542 0.112 314 HA ASN 40 HA ASN 40 -9.943 -11.678 -2.161 315 1HB ASN 40 HB2 ASN 40 -12.299 -10.567 -1.607 316 2HB ASN 40 HB3 ASN 40 -11.545 -9.145 -2.320 317 1HD2 ASN 40 HD22 ASN 40 -11.146 -10.800 -5.523 318 2HD2 ASN 40 HD21 ASN 40 -10.206 -9.891 -4.396 319 H ILE 41 HN ILE 41 -7.767 -10.742 -0.986 320 HA ILE 41 HA ILE 41 -6.845 -8.548 -2.734 321 HB ILE 41 HB ILE 41 -6.675 -8.798 0.216 322 1HG1 ILE 41 HG12 ILE 41 -7.683 -6.954 -1.480 323 2HG1 ILE 41 HG13 ILE 41 -7.160 -6.575 0.160 324 1HG2 ILE 41 HG21 ILE 41 -4.254 -7.996 -1.385 325 2HG2 ILE 41 HG22 ILE 41 -4.523 -7.478 0.280 326 3HG2 ILE 41 HG23 ILE 41 -4.368 -9.194 -0.091 327 1HD1 ILE 41 HD13 ILE 41 -5.277 -6.374 -2.157 328 2HD1 ILE 41 HD11 ILE 41 -6.373 -5.061 -1.735 329 3HD1 ILE 41 HD12 ILE 41 -5.174 -5.615 -0.570 330 H ASN 42 HN ASN 42 -5.101 -9.048 -3.913 331 HA ASN 42 HA ASN 42 -3.330 -11.235 -3.102 332 1HB ASN 42 HB2 ASN 42 -3.391 -12.167 -5.451 333 2HB ASN 42 HB3 ASN 42 -4.859 -12.413 -4.519 334 1HD2 ASN 42 HD22 ASN 42 -6.722 -11.242 -7.183 335 2HD2 ASN 42 HD21 ASN 42 -6.414 -12.467 -6.003 336 H GLN 43 HN GLN 43 -1.550 -11.396 -5.019 337 HA GLN 43 HA GLN 43 0.062 -9.148 -4.764 338 1HB GLN 43 HB2 GLN 43 0.759 -11.499 -5.402 339 2HB GLN 43 HB3 GLN 43 0.241 -11.132 -7.041 340 1HG GLN 43 HG2 GLN 43 2.202 -10.208 -7.487 341 2HG GLN 43 HG3 GLN 43 1.970 -9.041 -6.190 342 1HE2 GLN 43 HE22 GLN 43 4.499 -12.172 -5.738 343 2HE2 GLN 43 HE21 GLN 43 3.487 -12.010 -7.130 344 H SER 44 HN SER 44 -2.003 -10.069 -7.526 345 HA SER 44 HA SER 44 -1.301 -8.002 -9.247 346 1HB SER 44 HB2 SER 44 -4.084 -9.003 -9.288 347 2HB SER 44 HB3 SER 44 -2.962 -8.766 -10.605 348 HG SER 44 HG SER 44 -1.824 -10.631 -9.879 349 H LYS 45 HN LYS 45 -4.030 -8.127 -6.960 350 HA LYS 45 HA LYS 45 -5.075 -5.583 -7.530 351 1HB LYS 45 HB2 LYS 45 -5.975 -7.580 -6.045 352 2HB LYS 45 HB3 LYS 45 -5.228 -6.676 -4.738 353 1HG LYS 45 HG2 LYS 45 -6.830 -5.095 -4.749 354 2HG LYS 45 HG3 LYS 45 -6.925 -5.065 -6.512 355 1HD LYS 45 HD2 LYS 45 -8.315 -7.020 -6.551 356 2HD LYS 45 HD3 LYS 45 -8.088 -7.279 -4.821 357 1HE LYS 45 HE2 LYS 45 -10.293 -6.268 -5.472 358 2HE LYS 45 HE3 LYS 45 -9.376 -5.355 -4.270 359 1HZ LYS 45 HZ2 LYS 45 -9.086 -4.686 -7.128 360 2HZ LYS 45 HZ1 LYS 45 -10.467 -4.155 -6.280 361 3HZ LYS 45 HZ3 LYS 45 -8.915 -3.685 -5.758 362 H VAL 46 HN VAL 46 -2.531 -6.571 -5.315 363 HA VAL 46 HA VAL 46 -2.191 -4.018 -4.060 364 HB VAL 46 HB VAL 46 -0.625 -6.577 -4.045 365 1HG1 VAL 46 HG11 VAL 46 1.034 -4.755 -3.930 366 2HG1 VAL 46 HG12 VAL 46 0.152 -4.066 -2.567 367 3HG1 VAL 46 HG13 VAL 46 0.911 -5.644 -2.426 368 1HG2 VAL 46 HG23 VAL 46 -2.532 -5.153 -2.288 369 2HG2 VAL 46 HG21 VAL 46 -2.307 -6.877 -2.546 370 3HG2 VAL 46 HG22 VAL 46 -1.213 -5.992 -1.487 371 H SER 47 HN SER 47 -0.552 -5.718 -6.737 372 HA SER 47 HA SER 47 1.399 -3.679 -7.184 373 1HB SER 47 HB2 SER 47 1.182 -6.223 -8.056 374 2HB SER 47 HB3 SER 47 0.564 -5.388 -9.476 375 HG SER 47 HG SER 47 2.938 -5.813 -9.278 376 H ARG 48 HN ARG 48 -1.891 -4.207 -8.303 377 HA ARG 48 HA ARG 48 -1.859 -2.193 -10.351 378 1HB ARG 48 HB2 ARG 48 -4.041 -3.723 -8.949 379 2HB ARG 48 HB3 ARG 48 -4.430 -2.387 -10.027 380 1HG ARG 48 HG2 ARG 48 -3.418 -3.484 -11.884 381 2HG ARG 48 HG3 ARG 48 -2.754 -4.746 -10.846 382 1HD ARG 48 HD2 ARG 48 -4.675 -5.903 -10.799 383 2HD ARG 48 HD3 ARG 48 -5.664 -4.448 -10.640 384 HE ARG 48 HE ARG 48 -4.765 -4.412 -13.240 385 1HH1 ARG 48 HH12 ARG 48 -6.602 -6.665 -11.270 386 2HH1 ARG 48 HH11 ARG 48 -7.491 -7.308 -12.627 387 1HH2 ARG 48 HH22 ARG 48 -5.923 -5.246 -14.991 388 2HH2 ARG 48 HH21 ARG 48 -7.106 -6.496 -14.751 389 H MET 49 HN MET 49 -2.910 -2.293 -6.946 390 HA MET 49 HA MET 49 -3.822 0.389 -6.800 391 1HB MET 49 HB2 MET 49 -2.921 -1.613 -4.741 392 2HB MET 49 HB3 MET 49 -3.295 0.044 -4.280 393 1HG MET 49 HG2 MET 49 -5.532 -0.165 -4.790 394 2HG MET 49 HG3 MET 49 -5.267 -1.539 -5.858 395 1HE MET 49 HE1 MET 49 -5.076 -0.257 -2.243 396 2HE MET 49 HE2 MET 49 -6.779 -0.659 -2.450 397 3HE MET 49 HE3 MET 49 -5.785 -1.579 -1.319 398 H LEU 50 HN LEU 50 -0.645 -1.095 -6.390 399 HA LEU 50 HA LEU 50 0.755 1.136 -5.382 400 1HB LEU 50 HB2 LEU 50 1.528 -1.389 -6.802 401 2HB LEU 50 HB3 LEU 50 2.731 -0.113 -6.663 402 HG LEU 50 HG LEU 50 1.271 -1.022 -4.223 403 1HD1 LEU 50 HD12 LEU 50 3.483 -2.486 -5.620 404 2HD1 LEU 50 HD13 LEU 50 3.247 -2.615 -3.878 405 3HD1 LEU 50 HD11 LEU 50 1.975 -3.128 -4.981 406 1HD2 LEU 50 HD23 LEU 50 3.853 0.327 -4.816 407 2HD2 LEU 50 HD21 LEU 50 2.559 0.791 -3.707 408 3HD2 LEU 50 HD22 LEU 50 3.630 -0.547 -3.304 409 H THR 51 HN THR 51 0.259 0.014 -8.727 410 HA THR 51 HA THR 51 1.666 2.181 -9.954 411 HB THR 51 HB THR 51 -0.423 0.388 -11.225 412 HG1 THR 51 HG1 THR 51 1.026 -1.025 -10.393 413 1HG2 THR 51 HG23 THR 51 1.836 2.011 -12.343 414 2HG2 THR 51 HG22 THR 51 1.150 0.637 -13.208 415 3HG2 THR 51 HG21 THR 51 0.134 2.018 -12.801 416 H LYS 52 HN LYS 52 -1.710 1.566 -9.138 417 HA LYS 52 HA LYS 52 -2.886 3.720 -10.537 418 1HB LYS 52 HB2 LYS 52 -4.163 1.802 -9.700 419 2HB LYS 52 HB3 LYS 52 -3.819 2.267 -8.039 420 1HG LYS 52 HG2 LYS 52 -5.115 4.359 -9.646 421 2HG LYS 52 HG3 LYS 52 -6.077 2.900 -9.422 422 1HD LYS 52 HD2 LYS 52 -5.692 3.085 -6.966 423 2HD LYS 52 HD3 LYS 52 -4.865 4.616 -7.249 424 1HE LYS 52 HE2 LYS 52 -7.196 4.950 -6.557 425 2HE LYS 52 HE3 LYS 52 -6.898 5.574 -8.179 426 1HZ LYS 52 HZ1 LYS 52 -7.924 2.833 -7.854 427 2HZ LYS 52 HZ3 LYS 52 -8.990 4.154 -7.698 428 3HZ LYS 52 HZ2 LYS 52 -8.128 3.921 -9.154 429 H PHE 53 HN PHE 53 -2.049 3.412 -7.080 430 HA PHE 53 HA PHE 53 -2.673 6.116 -6.437 431 1HB PHE 53 HB2 PHE 53 -1.161 3.941 -4.987 432 2HB PHE 53 HB3 PHE 53 -1.375 5.545 -4.302 433 HD1 PHE 53 HD1 PHE 53 -4.053 6.313 -4.763 434 HD2 PHE 53 HD2 PHE 53 -2.549 2.409 -3.957 435 HE1 PHE 53 HE1 PHE 53 -6.235 5.657 -3.844 436 HE2 PHE 53 HE2 PHE 53 -4.712 1.758 -3.030 437 HZ PHE 53 HZ PHE 53 -6.569 3.375 -2.981 438 H GLY 54 HN GLY 54 0.261 4.512 -7.506 439 1HA GLY 54 HA1 GLY 54 2.099 5.571 -8.504 440 2HA GLY 54 HA2 GLY 54 1.547 7.111 -7.866 441 H ALA 55 HN ALA 55 2.413 3.974 -6.403 442 HA ALA 55 HA ALA 55 3.818 5.290 -4.225 443 1HB ALA 55 HB1 ALA 55 3.363 2.389 -4.885 444 2HB ALA 55 HB2 ALA 55 4.258 2.948 -3.470 445 3HB ALA 55 HB3 ALA 55 2.550 3.353 -3.650 446 H VAL 56 HN VAL 56 6.001 5.421 -3.960 447 HA VAL 56 HA VAL 56 7.701 4.536 -6.214 448 HB VAL 56 HB VAL 56 9.226 6.331 -5.664 449 1HG1 VAL 56 HG13 VAL 56 6.372 7.306 -5.788 450 2HG1 VAL 56 HG11 VAL 56 7.797 8.279 -6.145 451 3HG1 VAL 56 HG12 VAL 56 7.401 6.889 -7.158 452 1HG2 VAL 56 HG22 VAL 56 7.450 6.729 -3.276 453 2HG2 VAL 56 HG23 VAL 56 9.207 6.596 -3.352 454 3HG2 VAL 56 HG21 VAL 56 8.411 8.060 -3.924 455 H ARG 57 HN ARG 57 9.663 3.511 -5.794 456 HA ARG 57 HA ARG 57 9.927 2.338 -3.104 457 1HB ARG 57 HB2 ARG 57 11.139 1.505 -5.739 458 2HB ARG 57 HB3 ARG 57 11.491 0.736 -4.201 459 1HG ARG 57 HG2 ARG 57 9.047 0.213 -4.002 460 2HG ARG 57 HG3 ARG 57 8.856 0.800 -5.656 461 1HD ARG 57 HD2 ARG 57 9.082 -1.573 -5.775 462 2HD ARG 57 HD3 ARG 57 10.586 -0.862 -6.357 463 HE ARG 57 HE ARG 57 10.484 -1.653 -3.549 464 1HH1 ARG 57 HH12 ARG 57 11.532 -2.448 -6.810 465 2HH1 ARG 57 HH11 ARG 57 12.694 -3.622 -6.272 466 1HH2 ARG 57 HH22 ARG 57 12.026 -3.191 -2.859 467 2HH2 ARG 57 HH21 ARG 57 12.980 -4.040 -4.041 468 H THR 58 HN THR 58 11.730 2.656 -1.880 469 HA THR 58 HA THR 58 14.120 3.877 -2.964 470 HB THR 58 HB THR 58 12.467 5.793 -2.645 471 HG1 THR 58 HG1 THR 58 14.207 6.922 -2.472 472 1HG2 THR 58 HG21 THR 58 11.672 4.830 -0.367 473 2HG2 THR 58 HG23 THR 58 13.071 5.691 0.272 474 3HG2 THR 58 HG22 THR 58 11.814 6.570 -0.594 475 H ARG 59 HN ARG 59 15.632 4.531 -1.053 476 HA ARG 59 HA ARG 59 15.837 2.214 0.684 477 1HB ARG 59 HB2 ARG 59 17.650 4.273 -0.343 478 2HB ARG 59 HB3 ARG 59 17.881 3.993 1.373 479 1HG ARG 59 HG2 ARG 59 17.798 1.439 0.451 480 2HG ARG 59 HG3 ARG 59 18.505 2.273 -0.930 481 1HD ARG 59 HD2 ARG 59 19.652 3.042 1.661 482 2HD ARG 59 HD3 ARG 59 19.885 1.348 1.245 483 HE ARG 59 HE ARG 59 20.693 2.485 -1.008 484 1HH1 ARG 59 HH12 ARG 59 21.435 3.321 2.322 485 2HH1 ARG 59 HH11 ARG 59 23.020 3.934 1.951 486 1HH2 ARG 59 HH22 ARG 59 22.764 3.313 -1.501 487 2HH2 ARG 59 HH21 ARG 59 23.774 3.936 -0.222 488 H ASN 60 HN ASN 60 15.147 2.164 2.747 489 HA ASN 60 HA ASN 60 14.060 4.594 3.938 490 1HB ASN 60 HB2 ASN 60 12.901 3.198 5.482 491 2HB ASN 60 HB3 ASN 60 12.763 2.438 3.906 492 1HD2 ASN 60 HD22 ASN 60 13.409 -0.243 6.285 493 2HD2 ASN 60 HD21 ASN 60 12.162 0.900 5.926 494 H ALA 61 HN ALA 61 14.288 4.122 6.623 495 HA ALA 61 HA ALA 61 16.673 5.338 7.299 496 1HB ALA 61 HB1 ALA 61 14.715 5.364 8.744 497 2HB ALA 61 HB2 ALA 61 14.918 3.645 9.082 498 3HB ALA 61 HB3 ALA 61 16.130 4.801 9.631 499 H LYS 62 HN LYS 62 16.013 1.860 7.138 500 HA LYS 62 HA LYS 62 18.744 1.310 8.095 501 1HB LYS 62 HB2 LYS 62 16.434 -0.616 7.812 502 2HB LYS 62 HB3 LYS 62 18.030 -0.977 8.468 503 1HG LYS 62 HG2 LYS 62 17.488 0.941 10.148 504 2HG LYS 62 HG3 LYS 62 15.818 0.653 9.656 505 1HD LYS 62 HD2 LYS 62 16.534 -1.873 10.139 506 2HD LYS 62 HD3 LYS 62 17.674 -1.063 11.218 507 1HE LYS 62 HE2 LYS 62 15.797 -1.462 12.564 508 2HE LYS 62 HE3 LYS 62 15.648 0.230 12.103 509 1HZ LYS 62 HZ1 LYS 62 14.275 -1.967 10.649 510 2HZ LYS 62 HZ3 LYS 62 13.560 -1.112 11.938 511 3HZ LYS 62 HZ2 LYS 62 13.996 -0.290 10.512 512 H MET 63 HN MET 63 18.067 2.210 5.349 513 HA MET 63 HA MET 63 18.867 1.863 3.265 514 1HB MET 63 HB2 MET 63 20.455 -0.522 4.152 515 2HB MET 63 HB3 MET 63 20.898 0.757 3.041 516 1HG MET 63 HG2 MET 63 20.761 2.234 5.217 517 2HG MET 63 HG3 MET 63 21.046 0.676 5.989 518 1HE MET 63 HE3 MET 63 23.046 -0.821 5.608 519 2HE MET 63 HE1 MET 63 23.001 -0.819 3.843 520 3HE MET 63 HE2 MET 63 24.491 -0.408 4.686 521 H GLU 64 HN GLU 64 16.463 0.245 4.179 522 HA GLU 64 HA GLU 64 16.638 -2.094 2.418 523 1HB GLU 64 HB2 GLU 64 14.236 -1.227 4.039 524 2HB GLU 64 HB3 GLU 64 14.568 -2.814 3.358 525 1HG GLU 64 HG2 GLU 64 16.598 -2.867 4.907 526 2HG GLU 64 HG3 GLU 64 15.864 -1.489 5.722 527 H MET 65 HN MET 65 15.727 -2.205 0.428 528 HA MET 65 HA MET 65 14.671 0.197 -0.796 529 1HB MET 65 HB2 MET 65 15.110 -2.610 -1.835 530 2HB MET 65 HB3 MET 65 14.482 -1.299 -2.823 531 1HG MET 65 HG2 MET 65 16.860 -0.370 -1.582 532 2HG MET 65 HG3 MET 65 17.184 -1.968 -2.244 533 1HE MET 65 HE1 MET 65 16.212 1.699 -2.930 534 2HE MET 65 HE2 MET 65 15.893 1.733 -4.664 535 3HE MET 65 HE3 MET 65 14.758 0.939 -3.571 536 H VAL 66 HN VAL 66 12.685 0.602 0.241 537 HA VAL 66 HA VAL 66 10.568 -1.368 -0.302 538 HB VAL 66 HB VAL 66 9.466 -0.772 1.790 539 1HG1 VAL 66 HG13 VAL 66 11.426 -2.499 1.609 540 2HG1 VAL 66 HG11 VAL 66 12.299 -1.323 2.591 541 3HG1 VAL 66 HG12 VAL 66 10.805 -2.036 3.197 542 1HG2 VAL 66 HG23 VAL 66 11.557 1.329 1.855 543 2HG2 VAL 66 HG21 VAL 66 9.897 1.353 2.450 544 3HG2 VAL 66 HG22 VAL 66 11.160 0.564 3.394 545 H TYR 67 HN TYR 67 8.402 -0.572 -0.255 546 HA TYR 67 HA TYR 67 7.986 1.597 -2.059 547 1HB TYR 67 HB2 TYR 67 6.213 -0.341 -0.579 548 2HB TYR 67 HB3 TYR 67 5.500 1.031 -1.411 549 HD1 TYR 67 HD2 TYR 67 6.601 1.292 -3.925 550 HD2 TYR 67 HD1 TYR 67 6.006 -2.320 -1.744 551 HE1 TYR 67 HE2 TYR 67 6.515 0.045 -6.038 552 HE2 TYR 67 HE1 TYR 67 5.894 -3.590 -3.860 553 HH TYR 67 HH TYR 67 6.684 -2.094 -6.943 554 H CYS 68 HN CYS 68 6.895 3.518 -1.696 555 HA CYS 68 HA CYS 68 5.857 4.211 0.892 556 1HB CYS 68 HB2 CYS 68 7.221 6.363 0.999 557 2HB CYS 68 HB3 CYS 68 8.073 4.884 1.412 558 HG CYS 68 HG CYS 68 8.494 5.767 -1.479 559 H LEU 69 HN LEU 69 4.699 6.242 0.851 560 HA LEU 69 HA LEU 69 3.545 6.677 -1.807 561 1HB LEU 69 HB2 LEU 69 2.277 6.104 0.460 562 2HB LEU 69 HB3 LEU 69 2.323 7.848 0.639 563 HG LEU 69 HG LEU 69 1.256 8.011 -1.644 564 1HD1 LEU 69 HD12 LEU 69 1.792 5.246 -1.671 565 2HD1 LEU 69 HD13 LEU 69 0.038 5.411 -1.567 566 3HD1 LEU 69 HD11 LEU 69 0.920 6.195 -2.878 567 1HD2 LEU 69 HD21 LEU 69 -0.249 6.612 0.568 568 2HD2 LEU 69 HD22 LEU 69 -0.001 8.351 0.407 569 3HD2 LEU 69 HD23 LEU 69 -0.986 7.490 -0.775 570 HA PRO 70 HA PRO 70 5.530 10.770 -1.975 571 1HB PRO 70 HB2 PRO 70 3.730 11.161 -4.286 572 2HB PRO 70 HB3 PRO 70 5.491 11.228 -4.210 573 1HG PRO 70 HG2 PRO 70 4.233 9.210 -5.419 574 2HG PRO 70 HG3 PRO 70 5.711 8.937 -4.480 575 1HD PRO 70 HD2 PRO 70 2.846 8.484 -3.676 576 2HD PRO 70 HD3 PRO 70 4.259 7.418 -3.476 577 H ALA 71 HN ALA 71 4.038 12.897 -3.077 578 HA ALA 71 HA ALA 71 2.392 13.728 -0.885 579 1HB ALA 71 HB3 ALA 71 2.818 14.876 -3.645 580 2HB ALA 71 HB1 ALA 71 1.776 15.626 -2.432 581 3HB ALA 71 HB2 ALA 71 3.502 15.437 -2.118 582 H GLU 72 HN GLU 72 0.526 12.686 -0.494 583 HA GLU 72 HA GLU 72 -0.905 10.891 -1.668 584 1HB GLU 72 HB2 GLU 72 -1.860 13.217 -0.075 585 2HB GLU 72 HB3 GLU 72 -3.074 12.191 -0.819 586 1HG GLU 72 HG2 GLU 72 -2.849 11.207 1.240 587 2HG GLU 72 HG3 GLU 72 -1.755 10.238 0.258 588 H LEU 73 HN LEU 73 -1.108 10.656 -3.802 589 HA LEU 73 HA LEU 73 -2.176 12.713 -5.524 590 1HB LEU 73 HB2 LEU 73 -1.109 9.926 -5.899 591 2HB LEU 73 HB3 LEU 73 -2.009 10.686 -7.197 592 HG LEU 73 HG LEU 73 0.194 12.300 -6.060 593 1HD1 LEU 73 HD12 LEU 73 0.720 9.802 -7.664 594 2HD1 LEU 73 HD13 LEU 73 1.894 11.086 -7.370 595 3HD1 LEU 73 HD11 LEU 73 1.265 10.140 -6.020 596 1HD2 LEU 73 HD21 LEU 73 -1.151 13.060 -7.946 597 2HD2 LEU 73 HD22 LEU 73 0.539 12.842 -8.404 598 3HD2 LEU 73 HD23 LEU 73 -0.664 11.640 -8.874 599 H GLY 74 HN GLY 74 -4.281 12.944 -4.527 600 1HA GLY 74 HA1 GLY 74 -6.401 11.836 -5.835 601 2HA GLY 74 HA2 GLY 74 -6.139 10.732 -4.491 602 H VAL 75 HN VAL 75 -7.433 11.136 -2.823 603 HA VAL 75 HA VAL 75 -7.790 13.862 -1.864 604 HB VAL 75 HB VAL 75 -9.618 13.758 -3.387 605 1HG1 VAL 75 HG21 VAL 75 -9.721 10.996 -2.736 606 2HG1 VAL 75 HG22 VAL 75 -11.289 11.703 -2.356 607 3HG1 VAL 75 HG23 VAL 75 -10.618 11.866 -3.978 608 1HG2 VAL 75 HG11 VAL 75 -9.926 14.556 -0.923 609 2HG2 VAL 75 HG12 VAL 75 -11.316 14.440 -2.000 610 3HG2 VAL 75 HG13 VAL 75 -11.011 13.169 -0.819 611 HA PRO 76 HA PRO 76 -7.475 10.906 1.619 612 1HB PRO 76 HB2 PRO 76 -5.462 12.110 2.913 613 2HB PRO 76 HB3 PRO 76 -5.173 11.171 1.449 614 1HG PRO 76 HG2 PRO 76 -5.272 14.130 1.814 615 2HG PRO 76 HG3 PRO 76 -4.242 13.170 0.742 616 1HD PRO 76 HD2 PRO 76 -6.609 14.510 0.024 617 2HD PRO 76 HD3 PRO 76 -5.748 13.306 -0.955 618 H THR 77 HN THR 77 -9.684 12.080 1.879 619 HA THR 77 HA THR 77 -9.719 13.272 4.499 620 HB THR 77 HB THR 77 -9.323 15.216 2.885 621 HG1 THR 77 HG1 THR 77 -10.377 15.343 5.017 622 1HG2 THR 77 HG21 THR 77 -11.025 14.332 1.151 623 2HG2 THR 77 HG23 THR 77 -12.225 15.117 2.182 624 3HG2 THR 77 HG22 THR 77 -10.920 16.064 1.467 625 H THR 78 HN THR 78 -12.360 14.223 4.452 626 HA THR 78 HA THR 78 -13.958 11.866 3.677 627 HB THR 78 HB THR 78 -15.186 12.159 5.867 628 HG1 THR 78 HG1 THR 78 -13.802 14.352 6.021 629 1HG2 THR 78 HG22 THR 78 -13.449 10.419 5.621 630 2HG2 THR 78 HG21 THR 78 -12.260 11.565 6.239 631 3HG2 THR 78 HG23 THR 78 -13.596 11.043 7.264 No H/Q in entry = 631 Start of MODEL 19 1 1H MET 1 HT2 MET 1 -11.182 -0.544 14.113 2 2H MET 1 HT1 MET 1 -9.682 -1.048 14.787 3 3H MET 1 HT3 MET 1 -9.704 -0.004 13.421 4 HA MET 1 HA MET 1 -10.428 -1.638 12.015 5 1HB MET 1 HB2 MET 1 -8.484 -2.821 14.020 6 2HB MET 1 HB3 MET 1 -8.797 -3.510 12.437 7 1HG MET 1 HG2 MET 1 -6.928 -2.318 11.963 8 2HG MET 1 HG3 MET 1 -8.148 -1.096 11.611 9 1HE MET 1 HE1 MET 1 -6.376 0.669 11.643 10 2HE MET 1 HE2 MET 1 -5.501 1.248 13.062 11 3HE MET 1 HE3 MET 1 -4.993 -0.236 12.258 12 H ARG 2 HN ARG 2 -10.801 -4.120 11.851 13 HA ARG 2 HA ARG 2 -12.137 -5.921 12.176 14 1HB ARG 2 HB2 ARG 2 -12.355 -5.115 15.084 15 2HB ARG 2 HB3 ARG 2 -12.697 -6.688 14.389 16 1HG ARG 2 HG2 ARG 2 -10.008 -5.359 14.631 17 2HG ARG 2 HG3 ARG 2 -10.590 -6.783 15.496 18 1HD ARG 2 HD2 ARG 2 -10.837 -7.904 13.248 19 2HD ARG 2 HD3 ARG 2 -9.958 -6.536 12.557 20 HE ARG 2 HE ARG 2 -8.482 -7.576 14.716 21 1HH1 ARG 2 HH12 ARG 2 -9.433 -8.440 11.455 22 2HH1 ARG 2 HH11 ARG 2 -8.031 -9.442 11.179 23 1HH2 ARG 2 HH22 ARG 2 -6.667 -8.871 14.373 24 2HH2 ARG 2 HH21 ARG 2 -6.447 -9.687 12.847 25 H SER 3 HN SER 3 -13.392 -4.166 10.908 26 HA SER 3 HA SER 3 -16.127 -4.508 11.479 27 1HB SER 3 HB2 SER 3 -16.468 -1.835 11.577 28 2HB SER 3 HB3 SER 3 -16.319 -2.824 13.026 29 HG SER 3 HG SER 3 -14.499 -1.883 13.479 30 H SER 4 HN SER 4 -15.544 -5.326 9.336 31 HA SER 4 HA SER 4 -14.849 -3.477 7.244 32 1HB SER 4 HB2 SER 4 -15.769 -6.354 6.986 33 2HB SER 4 HB3 SER 4 -14.893 -5.408 5.783 34 HG SER 4 HG SER 4 -13.939 -6.207 8.347 35 H ALA 5 HN ALA 5 -16.328 -2.021 6.698 36 HA ALA 5 HA ALA 5 -18.867 -2.921 5.549 37 1HB ALA 5 HB1 ALA 5 -18.710 -0.862 7.754 38 2HB ALA 5 HB2 ALA 5 -20.118 -1.100 6.720 39 3HB ALA 5 HB3 ALA 5 -19.573 -2.399 7.780 40 H LYS 6 HN LYS 6 -16.562 -0.335 6.162 41 HA LYS 6 HA LYS 6 -17.379 1.118 3.733 42 1HB LYS 6 HB2 LYS 6 -15.385 1.985 5.821 43 2HB LYS 6 HB3 LYS 6 -16.135 2.971 4.572 44 1HG LYS 6 HG2 LYS 6 -17.579 1.724 6.904 45 2HG LYS 6 HG3 LYS 6 -17.047 3.391 6.781 46 1HD LYS 6 HD2 LYS 6 -18.479 3.682 4.783 47 2HD LYS 6 HD3 LYS 6 -19.079 2.040 5.011 48 1HE LYS 6 HE2 LYS 6 -20.476 4.019 5.939 49 2HE LYS 6 HE3 LYS 6 -20.244 2.596 6.954 50 1HZ LYS 6 HZ1 LYS 6 -18.305 4.782 7.172 51 2HZ LYS 6 HZ3 LYS 6 -19.841 5.011 7.865 52 3HZ LYS 6 HZ2 LYS 6 -18.863 3.704 8.367 53 H GLN 7 HN GLN 7 -16.175 0.728 1.902 54 HA GLN 7 HA GLN 7 -13.642 -0.682 2.218 55 1HB GLN 7 HB2 GLN 7 -15.615 -0.535 0.092 56 2HB GLN 7 HB3 GLN 7 -13.970 -0.353 -0.507 57 1HG GLN 7 HG2 GLN 7 -14.229 -2.432 1.510 58 2HG GLN 7 HG3 GLN 7 -15.244 -2.730 0.098 59 1HE2 GLN 7 HE22 GLN 7 -11.838 -4.260 -0.288 60 2HE2 GLN 7 HE21 GLN 7 -13.035 -4.311 0.955 61 H GLU 8 HN GLU 8 -14.362 2.420 2.407 62 HA GLU 8 HA GLU 8 -12.189 3.563 0.880 63 1HB GLU 8 HB2 GLU 8 -12.574 5.536 2.401 64 2HB GLU 8 HB3 GLU 8 -13.975 5.046 1.465 65 1HG GLU 8 HG2 GLU 8 -15.195 4.627 3.287 66 2HG GLU 8 HG3 GLU 8 -13.892 3.730 4.060 67 H GLU 9 HN GLU 9 -12.225 1.319 3.187 68 HA GLU 9 HA GLU 9 -10.050 2.354 4.875 69 1HB GLU 9 HB2 GLU 9 -11.794 -0.106 5.122 70 2HB GLU 9 HB3 GLU 9 -10.413 0.217 6.166 71 1HG GLU 9 HG2 GLU 9 -11.490 2.388 6.785 72 2HG GLU 9 HG3 GLU 9 -12.919 1.866 5.897 73 H LEU 10 HN LEU 10 -10.753 0.063 2.324 74 HA LEU 10 HA LEU 10 -8.301 -1.395 2.414 75 1HB LEU 10 HB2 LEU 10 -10.196 -2.231 1.120 76 2HB LEU 10 HB3 LEU 10 -10.154 -0.813 0.090 77 HG LEU 10 HG LEU 10 -8.008 -1.509 -0.842 78 1HD1 LEU 10 HD11 LEU 10 -8.128 -3.537 1.331 79 2HD1 LEU 10 HD12 LEU 10 -7.336 -3.959 -0.185 80 3HD1 LEU 10 HD13 LEU 10 -6.766 -2.581 0.751 81 1HD2 LEU 10 HD22 LEU 10 -10.097 -2.406 -1.826 82 2HD2 LEU 10 HD23 LEU 10 -8.703 -3.461 -2.060 83 3HD2 LEU 10 HD21 LEU 10 -9.904 -3.847 -0.828 84 H VAL 11 HN VAL 11 -9.350 1.671 1.086 85 HA VAL 11 HA VAL 11 -6.865 2.207 -0.308 86 HB VAL 11 HB VAL 11 -9.177 4.039 0.400 87 1HG1 VAL 11 HG11 VAL 11 -6.539 4.625 -0.810 88 2HG1 VAL 11 HG12 VAL 11 -7.939 5.328 -1.620 89 3HG1 VAL 11 HG13 VAL 11 -7.643 5.670 0.083 90 1HG2 VAL 11 HG21 VAL 11 -8.643 2.201 -1.819 91 2HG2 VAL 11 HG22 VAL 11 -10.160 2.907 -1.262 92 3HG2 VAL 11 HG23 VAL 11 -9.098 3.827 -2.326 93 H LYS 12 HN LYS 12 -8.447 3.614 2.614 94 HA LYS 12 HA LYS 12 -6.336 5.215 3.440 95 1HB LYS 12 HB2 LYS 12 -8.150 5.796 4.632 96 2HB LYS 12 HB3 LYS 12 -8.769 4.157 4.694 97 1HG LYS 12 HG2 LYS 12 -6.448 5.027 6.388 98 2HG LYS 12 HG3 LYS 12 -8.126 5.259 6.886 99 1HD LYS 12 HD2 LYS 12 -7.865 2.614 5.926 100 2HD LYS 12 HD3 LYS 12 -6.535 2.899 7.043 101 1HE LYS 12 HE2 LYS 12 -9.461 3.347 7.622 102 2HE LYS 12 HE3 LYS 12 -8.491 1.998 8.206 103 1HZ LYS 12 HZ2 LYS 12 -7.045 4.053 9.094 104 2HZ LYS 12 HZ1 LYS 12 -8.602 4.754 9.134 105 3HZ LYS 12 HZ3 LYS 12 -8.290 3.320 9.998 106 H ALA 13 HN ALA 13 -6.846 1.787 4.045 107 HA ALA 13 HA ALA 13 -4.676 1.460 5.878 108 1HB ALA 13 HB3 ALA 13 -6.480 -0.178 5.778 109 2HB ALA 13 HB1 ALA 13 -6.043 -0.585 4.119 110 3HB ALA 13 HB2 ALA 13 -4.931 -0.947 5.438 111 H PHE 14 HN PHE 14 -5.060 0.920 2.374 112 HA PHE 14 HA PHE 14 -2.506 -0.014 1.778 113 1HB PHE 14 HB2 PHE 14 -4.538 0.104 0.233 114 2HB PHE 14 HB3 PHE 14 -4.116 1.774 -0.058 115 HD1 PHE 14 HD1 PHE 14 -3.018 -1.732 -0.490 116 HD2 PHE 14 HD2 PHE 14 -2.326 2.356 -1.498 117 HE1 PHE 14 HE1 PHE 14 -1.475 -2.419 -2.256 118 HE2 PHE 14 HE2 PHE 14 -0.780 1.652 -3.275 119 HZ PHE 14 HZ PHE 14 -0.360 -0.731 -3.625 120 H LYS 15 HN LYS 15 -3.658 3.388 1.913 121 HA LYS 15 HA LYS 15 -1.242 4.610 1.121 122 1HB LYS 15 HB2 LYS 15 -3.195 5.757 3.166 123 2HB LYS 15 HB3 LYS 15 -2.043 6.662 2.201 124 1HG LYS 15 HG2 LYS 15 -4.520 5.280 1.215 125 2HG LYS 15 HG3 LYS 15 -4.265 7.009 1.388 126 1HD LYS 15 HD2 LYS 15 -2.199 6.439 -0.210 127 2HD LYS 15 HD3 LYS 15 -3.264 5.119 -0.664 128 1HE LYS 15 HE2 LYS 15 -3.501 7.063 -2.158 129 2HE LYS 15 HE3 LYS 15 -5.000 6.660 -1.315 130 1HZ LYS 15 HZ1 LYS 15 -3.204 8.716 -0.196 131 2HZ LYS 15 HZ3 LYS 15 -4.248 9.108 -1.477 132 3HZ LYS 15 HZ2 LYS 15 -4.884 8.528 -0.006 133 H ALA 16 HN ALA 16 -2.497 3.848 4.359 134 HA ALA 16 HA ALA 16 -0.382 4.844 5.900 135 1HB ALA 16 HB2 ALA 16 -2.569 4.295 6.833 136 2HB ALA 16 HB3 ALA 16 -2.268 2.581 6.563 137 3HB ALA 16 HB1 ALA 16 -1.281 3.479 7.715 138 H LEU 17 HN LEU 17 -0.935 1.555 4.644 139 HA LEU 17 HA LEU 17 1.219 0.234 5.812 140 1HB LEU 17 HB2 LEU 17 -0.070 -0.157 3.105 141 2HB LEU 17 HB3 LEU 17 1.134 -1.252 3.747 142 HG LEU 17 HG LEU 17 -1.716 -0.939 4.466 143 1HD1 LEU 17 HD11 LEU 17 0.212 -3.243 4.340 144 2HD1 LEU 17 HD12 LEU 17 -1.488 -3.385 4.786 145 3HD1 LEU 17 HD13 LEU 17 -1.043 -2.827 3.172 146 1HD2 LEU 17 HD23 LEU 17 0.381 -1.634 6.513 147 2HD2 LEU 17 HD21 LEU 17 -0.818 -0.344 6.598 148 3HD2 LEU 17 HD22 LEU 17 -1.326 -2.027 6.677 149 H LEU 18 HN LEU 18 1.103 1.993 2.730 150 HA LEU 18 HA LEU 18 3.853 1.522 2.084 151 1HB LEU 18 HB2 LEU 18 1.986 3.663 1.066 152 2HB LEU 18 HB3 LEU 18 3.522 3.221 0.343 153 HG LEU 18 HG LEU 18 1.309 1.205 0.638 154 1HD1 LEU 18 HD12 LEU 18 1.235 3.578 -0.938 155 2HD1 LEU 18 HD13 LEU 18 1.399 2.181 -2.010 156 3HD1 LEU 18 HD11 LEU 18 0.072 2.257 -0.858 157 1HD2 LEU 18 HD23 LEU 18 3.638 1.432 -1.260 158 2HD2 LEU 18 HD21 LEU 18 3.531 0.334 0.124 159 3HD2 LEU 18 HD22 LEU 18 2.433 0.147 -1.248 160 H LYS 19 HN LYS 19 2.163 4.449 3.235 161 HA LYS 19 HA LYS 19 4.376 6.115 3.398 162 1HB LYS 19 HB2 LYS 19 1.802 6.154 4.973 163 2HB LYS 19 HB3 LYS 19 2.980 7.462 4.990 164 1HG LYS 19 HG2 LYS 19 2.654 7.890 2.661 165 2HG LYS 19 HG3 LYS 19 1.675 6.431 2.472 166 1HD LYS 19 HD2 LYS 19 0.151 8.249 2.541 167 2HD LYS 19 HD3 LYS 19 0.034 7.435 4.100 168 1HE LYS 19 HE2 LYS 19 0.148 9.587 4.839 169 2HE LYS 19 HE3 LYS 19 1.872 9.236 4.767 170 1HZ LYS 19 HZ1 LYS 19 0.299 10.621 2.663 171 2HZ LYS 19 HZ3 LYS 19 1.373 11.362 3.760 172 3HZ LYS 19 HZ2 LYS 19 1.970 10.279 2.593 173 H GLU 20 HN GLU 20 3.494 3.579 5.603 174 HA GLU 20 HA GLU 20 4.940 4.563 7.884 175 1HB GLU 20 HB2 GLU 20 3.798 1.873 7.134 176 2HB GLU 20 HB3 GLU 20 4.765 2.079 8.589 177 1HG GLU 20 HG2 GLU 20 2.451 3.912 8.137 178 2HG GLU 20 HG3 GLU 20 2.136 2.253 8.642 179 H GLU 21 HN GLU 21 5.849 3.055 4.939 180 HA GLU 21 HA GLU 21 7.800 2.311 4.065 181 1HB GLU 21 HB2 GLU 21 9.224 3.695 6.346 182 2HB GLU 21 HB3 GLU 21 9.811 3.396 4.715 183 1HG GLU 21 HG2 GLU 21 7.918 4.908 3.924 184 2HG GLU 21 HG3 GLU 21 7.743 5.381 5.610 185 H LYS 22 HN LYS 22 7.001 0.207 4.730 186 HA LYS 22 HA LYS 22 8.831 -1.175 6.586 187 1HB LYS 22 HB2 LYS 22 6.954 -1.003 7.953 188 2HB LYS 22 HB3 LYS 22 5.829 -1.068 6.608 189 1HG LYS 22 HG2 LYS 22 5.964 -3.407 6.457 190 2HG LYS 22 HG3 LYS 22 7.415 -3.470 7.457 191 1HD LYS 22 HD2 LYS 22 6.189 -2.863 9.414 192 2HD LYS 22 HD3 LYS 22 4.752 -2.481 8.468 193 1HE LYS 22 HE2 LYS 22 4.569 -4.643 9.651 194 2HE LYS 22 HE3 LYS 22 4.437 -4.803 7.904 195 1HZ LYS 22 HZ1 LYS 22 7.139 -5.076 8.792 196 2HZ LYS 22 HZ3 LYS 22 6.118 -6.211 9.542 197 3HZ LYS 22 HZ2 LYS 22 6.197 -6.132 7.846 198 H PHE 23 HN PHE 23 6.383 -1.550 4.052 199 HA PHE 23 HA PHE 23 7.210 -4.224 3.385 200 1HB PHE 23 HB2 PHE 23 5.311 -2.403 1.903 201 2HB PHE 23 HB3 PHE 23 5.397 -4.166 1.802 202 HD1 PHE 23 HD2 PHE 23 4.994 -5.477 3.976 203 HD2 PHE 23 HD1 PHE 23 3.934 -1.391 3.513 204 HE1 PHE 23 HE2 PHE 23 3.477 -5.668 5.891 205 HE2 PHE 23 HE1 PHE 23 2.415 -1.575 5.437 206 HZ PHE 23 HZ PHE 23 2.174 -3.715 6.623 207 H SER 24 HN SER 24 8.571 -4.856 1.866 208 HA SER 24 HA SER 24 9.864 -2.826 0.208 209 1HB SER 24 HB2 SER 24 11.208 -5.331 -0.037 210 2HB SER 24 HB3 SER 24 11.756 -3.870 0.765 211 HG SER 24 HG SER 24 10.236 -5.987 1.912 212 H SER 25 HN SER 25 7.816 -5.606 -0.138 213 HA SER 25 HA SER 25 7.911 -5.254 -3.067 214 1HB SER 25 HB2 SER 25 7.597 -7.750 -3.295 215 2HB SER 25 HB3 SER 25 9.171 -7.268 -2.670 216 HG SER 25 HG SER 25 8.387 -7.757 -0.556 217 H GLN 26 HN GLN 26 5.985 -6.765 -3.963 218 HA GLN 26 HA GLN 26 3.555 -5.445 -3.201 219 1HB GLN 26 HB2 GLN 26 3.372 -7.998 -4.733 220 2HB GLN 26 HB3 GLN 26 2.645 -6.444 -5.020 221 1HG GLN 26 HG2 GLN 26 5.512 -7.077 -5.637 222 2HG GLN 26 HG3 GLN 26 4.193 -7.167 -6.793 223 1HE2 GLN 26 HE22 GLN 26 3.883 -3.692 -7.206 224 2HE2 GLN 26 HE21 GLN 26 3.016 -5.190 -7.235 225 H GLY 27 HN GLY 27 4.396 -8.891 -3.212 226 1HA GLY 27 HA1 GLY 27 2.410 -10.065 -1.838 227 2HA GLY 27 HA2 GLY 27 4.067 -10.594 -1.688 228 H GLU 28 HN GLU 28 5.041 -8.312 -0.201 229 HA GLU 28 HA GLU 28 4.481 -9.153 2.425 230 1HB GLU 28 HB2 GLU 28 5.715 -6.554 1.471 231 2HB GLU 28 HB3 GLU 28 5.732 -7.128 3.132 232 1HG GLU 28 HG2 GLU 28 7.133 -8.956 2.596 233 2HG GLU 28 HG3 GLU 28 6.946 -8.676 0.867 234 H ILE 29 HN ILE 29 3.288 -6.309 0.620 235 HA ILE 29 HA ILE 29 1.649 -5.439 2.827 236 HB ILE 29 HB ILE 29 1.984 -3.511 1.818 237 1HG1 ILE 29 HG12 ILE 29 0.046 -4.434 -0.303 238 2HG1 ILE 29 HG13 ILE 29 -0.388 -3.745 1.261 239 1HG2 ILE 29 HG21 ILE 29 3.707 -4.516 0.357 240 2HG2 ILE 29 HG22 ILE 29 2.458 -4.787 -0.858 241 3HG2 ILE 29 HG23 ILE 29 2.872 -3.150 -0.373 242 1HD1 ILE 29 HD11 ILE 29 1.312 -1.854 0.253 243 2HD1 ILE 29 HD12 ILE 29 0.482 -2.428 -1.191 244 3HD1 ILE 29 HD13 ILE 29 -0.447 -1.802 0.169 245 H VAL 30 HN VAL 30 1.244 -7.629 0.180 246 HA VAL 30 HA VAL 30 -1.593 -7.664 -0.007 247 HB VAL 30 HB VAL 30 0.323 -9.978 -0.459 248 1HG1 VAL 30 HG13 VAL 30 -2.548 -9.579 -1.259 249 2HG1 VAL 30 HG11 VAL 30 -1.507 -10.825 -1.941 250 3HG1 VAL 30 HG12 VAL 30 -1.889 -10.841 -0.224 251 1HG2 VAL 30 HG22 VAL 30 0.543 -7.782 -1.860 252 2HG2 VAL 30 HG23 VAL 30 0.583 -9.350 -2.653 253 3HG2 VAL 30 HG21 VAL 30 -0.894 -8.395 -2.668 254 H ALA 31 HN ALA 31 0.706 -9.550 1.954 255 HA ALA 31 HA ALA 31 -1.276 -11.043 3.372 256 1HB ALA 31 HB3 ALA 31 1.021 -11.855 3.130 257 2HB ALA 31 HB1 ALA 31 1.606 -10.511 4.107 258 3HB ALA 31 HB2 ALA 31 0.562 -11.736 4.827 259 H ALA 32 HN ALA 32 0.536 -8.066 4.059 260 HA ALA 32 HA ALA 32 -0.154 -7.635 6.706 261 1HB ALA 32 HB3 ALA 32 1.479 -6.303 5.411 262 2HB ALA 32 HB1 ALA 32 0.141 -5.484 4.612 263 3HB ALA 32 HB2 ALA 32 0.366 -5.313 6.355 264 H LEU 33 HN LEU 33 -2.020 -6.705 3.799 265 HA LEU 33 HA LEU 33 -4.085 -5.390 5.244 266 1HB LEU 33 HB2 LEU 33 -4.160 -6.560 2.461 267 2HB LEU 33 HB3 LEU 33 -5.388 -5.502 3.144 268 HG LEU 33 HG LEU 33 -2.531 -4.586 2.946 269 1HD1 LEU 33 HD12 LEU 33 -3.754 -5.395 0.705 270 2HD1 LEU 33 HD13 LEU 33 -4.415 -3.765 0.828 271 3HD1 LEU 33 HD11 LEU 33 -2.670 -4.011 0.771 272 1HD2 LEU 33 HD21 LEU 33 -4.221 -3.364 4.339 273 2HD2 LEU 33 HD22 LEU 33 -3.474 -2.408 3.063 274 3HD2 LEU 33 HD23 LEU 33 -5.105 -3.033 2.853 275 H GLN 34 HN GLN 34 -3.547 -8.770 4.420 276 HA GLN 34 HA GLN 34 -6.206 -9.666 4.978 277 1HB GLN 34 HB2 GLN 34 -3.564 -11.134 4.945 278 2HB GLN 34 HB3 GLN 34 -5.100 -11.926 5.264 279 1HG GLN 34 HG2 GLN 34 -5.920 -11.388 3.087 280 2HG GLN 34 HG3 GLN 34 -4.527 -10.360 2.758 281 1HE2 GLN 34 HE22 GLN 34 -2.767 -12.943 1.311 282 2HE2 GLN 34 HE21 GLN 34 -3.151 -11.258 1.423 283 H GLU 35 HN GLU 35 -3.339 -9.079 6.940 284 HA GLU 35 HA GLU 35 -4.440 -10.145 9.379 285 1HB GLU 35 HB2 GLU 35 -2.129 -8.227 8.986 286 2HB GLU 35 HB3 GLU 35 -2.513 -9.085 10.471 287 1HG GLU 35 HG2 GLU 35 -2.095 -11.220 9.335 288 2HG GLU 35 HG3 GLU 35 -1.667 -10.345 7.867 289 H GLN 36 HN GLN 36 -4.443 -7.030 7.765 290 HA GLN 36 HA GLN 36 -5.210 -5.375 9.929 291 1HB GLN 36 HB2 GLN 36 -5.394 -5.123 6.946 292 2HB GLN 36 HB3 GLN 36 -6.175 -3.937 7.975 293 1HG GLN 36 HG2 GLN 36 -3.327 -4.573 8.531 294 2HG GLN 36 HG3 GLN 36 -3.690 -3.650 7.075 295 1HE2 GLN 36 HE22 GLN 36 -3.908 -0.680 8.829 296 2HE2 GLN 36 HE21 GLN 36 -3.527 -1.543 7.380 297 H GLY 37 HN GLY 37 -7.242 -6.569 7.239 298 1HA GLY 37 HA1 GLY 37 -9.334 -7.635 8.649 299 2HA GLY 37 HA2 GLY 37 -9.670 -5.910 8.629 300 H PHE 38 HN PHE 38 -8.103 -7.636 5.979 301 HA PHE 38 HA PHE 38 -10.540 -7.208 4.347 302 1HB PHE 38 HB2 PHE 38 -7.664 -7.021 3.411 303 2HB PHE 38 HB3 PHE 38 -9.105 -6.738 2.433 304 HD1 PHE 38 HD1 PHE 38 -10.575 -4.793 2.942 305 HD2 PHE 38 HD2 PHE 38 -6.849 -5.345 4.898 306 HE1 PHE 38 HE1 PHE 38 -10.618 -2.456 3.709 307 HE2 PHE 38 HE2 PHE 38 -6.884 -3.031 5.669 308 HZ PHE 38 HZ PHE 38 -8.758 -1.581 5.074 309 H ASP 39 HN ASP 39 -10.761 -8.652 2.493 310 HA ASP 39 HA ASP 39 -9.432 -11.211 2.650 311 1HB ASP 39 HB2 ASP 39 -11.533 -11.147 4.194 312 2HB ASP 39 HB3 ASP 39 -12.427 -11.227 2.692 313 H ASN 40 HN ASN 40 -9.204 -12.047 0.788 314 HA ASN 40 HA ASN 40 -9.469 -12.626 -1.436 315 1HB ASN 40 HB2 ASN 40 -11.972 -12.010 -1.153 316 2HB ASN 40 HB3 ASN 40 -11.527 -10.461 -1.859 317 1HD2 ASN 40 HD22 ASN 40 -11.862 -11.688 -5.072 318 2HD2 ASN 40 HD21 ASN 40 -12.000 -10.382 -3.949 319 H ILE 41 HN ILE 41 -7.649 -10.870 -0.255 320 HA ILE 41 HA ILE 41 -7.148 -8.823 -2.316 321 HB ILE 41 HB ILE 41 -6.520 -9.020 0.582 322 1HG1 ILE 41 HG12 ILE 41 -6.967 -6.661 0.545 323 2HG1 ILE 41 HG13 ILE 41 -6.791 -6.594 -1.207 324 1HG2 ILE 41 HG22 ILE 41 -4.529 -7.939 -1.382 325 2HG2 ILE 41 HG23 ILE 41 -4.638 -7.338 0.269 326 3HG2 ILE 41 HG21 ILE 41 -4.271 -9.036 -0.020 327 1HD1 ILE 41 HD11 ILE 41 -8.948 -8.177 0.142 328 2HD1 ILE 41 HD12 ILE 41 -9.135 -6.485 -0.322 329 3HD1 ILE 41 HD13 ILE 41 -8.828 -7.708 -1.554 330 H ASN 42 HN ASN 42 -5.848 -9.453 -3.872 331 HA ASN 42 HA ASN 42 -3.807 -11.529 -3.344 332 1HB ASN 42 HB2 ASN 42 -4.004 -12.120 -5.760 333 2HB ASN 42 HB3 ASN 42 -5.474 -12.396 -4.841 334 1HD2 ASN 42 HD22 ASN 42 -7.357 -10.635 -7.141 335 2HD2 ASN 42 HD21 ASN 42 -7.196 -11.951 -6.022 336 H GLN 43 HN GLN 43 -2.038 -11.502 -5.093 337 HA GLN 43 HA GLN 43 -0.450 -9.239 -4.708 338 1HB GLN 43 HB2 GLN 43 0.197 -11.671 -5.389 339 2HB GLN 43 HB3 GLN 43 0.002 -11.090 -7.036 340 1HG GLN 43 HG2 GLN 43 1.658 -9.315 -6.569 341 2HG GLN 43 HG3 GLN 43 1.891 -9.993 -4.960 342 1HE2 GLN 43 HE22 GLN 43 4.151 -11.328 -7.857 343 2HE2 GLN 43 HE21 GLN 43 3.350 -9.798 -7.787 344 H SER 44 HN SER 44 -2.383 -10.153 -7.577 345 HA SER 44 HA SER 44 -1.560 -8.109 -9.264 346 1HB SER 44 HB2 SER 44 -4.267 -9.378 -9.184 347 2HB SER 44 HB3 SER 44 -3.514 -8.605 -10.555 348 HG SER 44 HG SER 44 -3.322 -10.863 -10.693 349 H LYS 45 HN LYS 45 -4.127 -8.114 -6.815 350 HA LYS 45 HA LYS 45 -5.196 -5.558 -7.472 351 1HB LYS 45 HB2 LYS 45 -6.020 -7.549 -5.831 352 2HB LYS 45 HB3 LYS 45 -5.332 -6.464 -4.634 353 1HG LYS 45 HG2 LYS 45 -7.183 -5.234 -4.675 354 2HG LYS 45 HG3 LYS 45 -6.944 -4.915 -6.395 355 1HD LYS 45 HD2 LYS 45 -8.051 -7.105 -6.885 356 2HD LYS 45 HD3 LYS 45 -8.435 -7.236 -5.169 357 1HE LYS 45 HE2 LYS 45 -9.467 -4.845 -5.548 358 2HE LYS 45 HE3 LYS 45 -9.516 -5.366 -7.232 359 1HZ LYS 45 HZ3 LYS 45 -10.518 -7.474 -5.724 360 2HZ LYS 45 HZ2 LYS 45 -11.252 -6.066 -5.105 361 3HZ LYS 45 HZ1 LYS 45 -11.385 -6.445 -6.761 362 H VAL 46 HN VAL 46 -2.662 -6.640 -5.278 363 HA VAL 46 HA VAL 46 -2.111 -4.118 -4.053 364 HB VAL 46 HB VAL 46 -0.689 -6.748 -4.179 365 1HG1 VAL 46 HG13 VAL 46 0.413 -4.217 -2.961 366 2HG1 VAL 46 HG11 VAL 46 1.047 -5.838 -2.695 367 3HG1 VAL 46 HG12 VAL 46 1.122 -5.136 -4.308 368 1HG2 VAL 46 HG21 VAL 46 -2.145 -5.099 -2.159 369 2HG2 VAL 46 HG22 VAL 46 -2.322 -6.810 -2.550 370 3HG2 VAL 46 HG23 VAL 46 -0.933 -6.253 -1.616 371 H SER 47 HN SER 47 -0.630 -5.877 -6.763 372 HA SER 47 HA SER 47 1.335 -3.914 -7.332 373 1HB SER 47 HB2 SER 47 0.163 -6.129 -9.022 374 2HB SER 47 HB3 SER 47 1.539 -5.143 -9.511 375 HG SER 47 HG SER 47 2.439 -6.891 -8.565 376 H ARG 48 HN ARG 48 -1.990 -4.396 -8.428 377 HA ARG 48 HA ARG 48 -1.908 -2.361 -10.460 378 1HB ARG 48 HB2 ARG 48 -4.097 -3.935 -9.142 379 2HB ARG 48 HB3 ARG 48 -4.519 -2.483 -10.038 380 1HG ARG 48 HG2 ARG 48 -2.879 -3.735 -11.813 381 2HG ARG 48 HG3 ARG 48 -3.642 -5.108 -11.016 382 1HD ARG 48 HD2 ARG 48 -5.107 -2.778 -12.256 383 2HD ARG 48 HD3 ARG 48 -4.870 -4.351 -13.020 384 HE ARG 48 HE ARG 48 -6.064 -4.987 -10.678 385 1HH1 ARG 48 HH12 ARG 48 -6.875 -2.800 -13.296 386 2HH1 ARG 48 HH11 ARG 48 -8.591 -2.962 -13.062 387 1HH2 ARG 48 HH22 ARG 48 -8.300 -5.194 -10.357 388 2HH2 ARG 48 HH21 ARG 48 -9.408 -4.318 -11.380 389 H MET 49 HN MET 49 -2.908 -2.464 -7.057 390 HA MET 49 HA MET 49 -3.829 0.205 -6.887 391 1HB MET 49 HB2 MET 49 -2.909 -1.801 -4.838 392 2HB MET 49 HB3 MET 49 -3.281 -0.147 -4.368 393 1HG MET 49 HG2 MET 49 -5.537 -0.361 -5.050 394 2HG MET 49 HG3 MET 49 -5.225 -1.898 -5.853 395 1HE MET 49 HE1 MET 49 -4.933 -0.031 -2.525 396 2HE MET 49 HE2 MET 49 -6.665 -0.378 -2.561 397 3HE MET 49 HE3 MET 49 -5.637 -1.148 -1.355 398 H LEU 50 HN LEU 50 -0.609 -1.236 -6.497 399 HA LEU 50 HA LEU 50 0.743 1.043 -5.512 400 1HB LEU 50 HB2 LEU 50 1.585 -1.459 -6.918 401 2HB LEU 50 HB3 LEU 50 2.740 -0.140 -6.824 402 HG LEU 50 HG LEU 50 1.382 -1.093 -4.340 403 1HD1 LEU 50 HD11 LEU 50 3.795 -2.383 -5.595 404 2HD1 LEU 50 HD12 LEU 50 3.217 -2.684 -3.957 405 3HD1 LEU 50 HD13 LEU 50 2.223 -3.139 -5.337 406 1HD2 LEU 50 HD23 LEU 50 3.867 0.388 -5.014 407 2HD2 LEU 50 HD21 LEU 50 2.590 0.781 -3.859 408 3HD2 LEU 50 HD22 LEU 50 3.747 -0.497 -3.492 409 H THR 51 HN THR 51 0.255 -0.104 -8.847 410 HA THR 51 HA THR 51 1.589 2.098 -10.081 411 HB THR 51 HB THR 51 -0.487 0.418 -11.481 412 HG1 THR 51 HG1 THR 51 0.743 -1.089 -10.365 413 1HG2 THR 51 HG21 THR 51 0.626 2.151 -12.796 414 2HG2 THR 51 HG23 THR 51 2.195 1.450 -12.392 415 3HG2 THR 51 HG22 THR 51 1.037 0.531 -13.358 416 H LYS 52 HN LYS 52 -1.796 1.417 -9.304 417 HA LYS 52 HA LYS 52 -2.931 3.634 -10.675 418 1HB LYS 52 HB2 LYS 52 -4.115 1.523 -9.911 419 2HB LYS 52 HB3 LYS 52 -4.099 2.177 -8.282 420 1HG LYS 52 HG2 LYS 52 -5.283 3.773 -10.520 421 2HG LYS 52 HG3 LYS 52 -6.196 2.443 -9.815 422 1HD LYS 52 HD2 LYS 52 -5.066 4.176 -7.768 423 2HD LYS 52 HD3 LYS 52 -6.079 5.070 -8.894 424 1HE LYS 52 HE2 LYS 52 -6.913 2.581 -7.402 425 2HE LYS 52 HE3 LYS 52 -7.331 4.233 -6.949 426 1HZ LYS 52 HZ1 LYS 52 -7.988 3.617 -9.681 427 2HZ LYS 52 HZ3 LYS 52 -8.811 2.632 -8.557 428 3HZ LYS 52 HZ2 LYS 52 -8.939 4.329 -8.463 429 H PHE 53 HN PHE 53 -2.125 3.108 -7.246 430 HA PHE 53 HA PHE 53 -2.997 5.670 -6.382 431 1HB PHE 53 HB2 PHE 53 -1.284 3.535 -5.091 432 2HB PHE 53 HB3 PHE 53 -1.594 5.073 -4.306 433 HD1 PHE 53 HD1 PHE 53 -4.012 3.025 -6.289 434 HD2 PHE 53 HD2 PHE 53 -2.810 4.439 -2.480 435 HE1 PHE 53 HE1 PHE 53 -6.082 2.141 -5.323 436 HE2 PHE 53 HE2 PHE 53 -4.877 3.554 -1.492 437 HZ PHE 53 HZ PHE 53 -6.524 2.402 -2.923 438 H GLY 54 HN GLY 54 0.142 4.408 -7.400 439 1HA GLY 54 HA1 GLY 54 1.829 5.716 -8.401 440 2HA GLY 54 HA2 GLY 54 1.138 7.155 -7.674 441 H ALA 55 HN ALA 55 2.375 4.035 -6.446 442 HA ALA 55 HA ALA 55 3.629 5.352 -4.180 443 1HB ALA 55 HB1 ALA 55 2.563 2.843 -4.536 444 2HB ALA 55 HB2 ALA 55 4.301 2.533 -4.557 445 3HB ALA 55 HB3 ALA 55 3.567 3.358 -3.181 446 H VAL 56 HN VAL 56 5.875 5.177 -3.682 447 HA VAL 56 HA VAL 56 7.673 4.706 -5.977 448 HB VAL 56 HB VAL 56 9.082 6.604 -5.249 449 1HG1 VAL 56 HG12 VAL 56 7.263 6.801 -6.993 450 2HG1 VAL 56 HG13 VAL 56 6.280 7.579 -5.750 451 3HG1 VAL 56 HG11 VAL 56 7.800 8.311 -6.259 452 1HG2 VAL 56 HG22 VAL 56 6.924 6.942 -3.192 453 2HG2 VAL 56 HG23 VAL 56 8.675 6.980 -2.996 454 3HG2 VAL 56 HG21 VAL 56 7.843 8.331 -3.764 455 H ARG 57 HN ARG 57 9.915 4.216 -5.329 456 HA ARG 57 HA ARG 57 9.984 2.715 -2.793 457 1HB ARG 57 HB2 ARG 57 11.805 2.459 -5.203 458 2HB ARG 57 HB3 ARG 57 11.824 1.443 -3.769 459 1HG ARG 57 HG2 ARG 57 9.605 0.604 -4.295 460 2HG ARG 57 HG3 ARG 57 9.531 1.650 -5.714 461 1HD ARG 57 HD2 ARG 57 10.117 -0.691 -6.258 462 2HD ARG 57 HD3 ARG 57 11.344 0.468 -6.754 463 HE ARG 57 HE ARG 57 11.539 -1.348 -4.422 464 1HH1 ARG 57 HH12 ARG 57 13.099 0.620 -6.882 465 2HH1 ARG 57 HH11 ARG 57 14.700 0.081 -6.459 466 1HH2 ARG 57 HH22 ARG 57 13.606 -2.036 -3.881 467 2HH2 ARG 57 HH21 ARG 57 14.991 -1.439 -4.755 468 H THR 58 HN THR 58 11.413 3.250 -1.187 469 HA THR 58 HA THR 58 13.699 4.953 -1.760 470 HB THR 58 HB THR 58 11.461 6.352 -1.352 471 HG1 THR 58 HG1 THR 58 12.776 7.991 -1.138 472 1HG2 THR 58 HG21 THR 58 11.102 5.324 0.925 473 2HG2 THR 58 HG23 THR 58 12.504 6.253 1.458 474 3HG2 THR 58 HG22 THR 58 11.079 7.086 0.838 475 H ARG 59 HN ARG 59 15.003 5.402 0.230 476 HA ARG 59 HA ARG 59 15.215 2.990 1.817 477 1HB ARG 59 HB2 ARG 59 17.014 4.992 0.962 478 2HB ARG 59 HB3 ARG 59 16.946 5.134 2.710 479 1HG ARG 59 HG2 ARG 59 17.257 2.526 2.612 480 2HG ARG 59 HG3 ARG 59 17.947 2.892 1.032 481 1HD ARG 59 HD2 ARG 59 18.829 4.271 3.571 482 2HD ARG 59 HD3 ARG 59 19.575 2.795 2.979 483 HE ARG 59 HE ARG 59 20.516 3.965 1.198 484 1HH1 ARG 59 HH12 ARG 59 18.538 6.089 3.182 485 2HH1 ARG 59 HH11 ARG 59 19.194 7.545 2.492 486 1HH2 ARG 59 HH22 ARG 59 21.379 5.873 0.309 487 2HH2 ARG 59 HH21 ARG 59 20.806 7.428 0.859 488 H ASN 60 HN ASN 60 14.329 2.699 3.781 489 HA ASN 60 HA ASN 60 12.881 4.876 5.035 490 1HB ASN 60 HB2 ASN 60 11.958 3.179 6.537 491 2HB ASN 60 HB3 ASN 60 11.807 2.691 4.860 492 1HD2 ASN 60 HD22 ASN 60 12.788 -0.379 6.384 493 2HD2 ASN 60 HD21 ASN 60 11.414 0.636 6.108 494 H ALA 61 HN ALA 61 12.940 4.485 7.664 495 HA ALA 61 HA ALA 61 15.214 5.844 8.535 496 1HB ALA 61 HB1 ALA 61 13.199 4.251 10.120 497 2HB ALA 61 HB2 ALA 61 14.395 5.338 10.827 498 3HB ALA 61 HB3 ALA 61 13.151 5.975 9.753 499 H LYS 62 HN LYS 62 14.701 2.411 8.209 500 HA LYS 62 HA LYS 62 17.156 1.805 9.715 501 1HB LYS 62 HB2 LYS 62 14.986 -0.021 8.663 502 2HB LYS 62 HB3 LYS 62 16.454 -0.569 9.460 503 1HG LYS 62 HG2 LYS 62 15.054 -0.580 11.244 504 2HG LYS 62 HG3 LYS 62 15.629 1.081 11.357 505 1HD LYS 62 HD2 LYS 62 13.611 1.958 10.841 506 2HD LYS 62 HD3 LYS 62 13.259 0.713 9.641 507 1HE LYS 62 HE2 LYS 62 13.023 0.441 12.640 508 2HE LYS 62 HE3 LYS 62 11.692 0.581 11.494 509 1HZ LYS 62 HZ1 LYS 62 13.023 -1.529 10.511 510 2HZ LYS 62 HZ3 LYS 62 13.308 -1.726 12.180 511 3HZ LYS 62 HZ2 LYS 62 11.713 -1.650 11.589 512 H MET 63 HN MET 63 17.127 3.066 7.058 513 HA MET 63 HA MET 63 18.081 2.979 5.020 514 1HB MET 63 HB2 MET 63 20.365 1.922 4.979 515 2HB MET 63 HB3 MET 63 20.098 3.122 6.236 516 1HG MET 63 HG2 MET 63 19.836 1.354 7.893 517 2HG MET 63 HG3 MET 63 20.025 0.132 6.635 518 1HE MET 63 HE2 MET 63 21.646 1.008 9.516 519 2HE MET 63 HE3 MET 63 21.936 -0.581 8.797 520 3HE MET 63 HE1 MET 63 23.290 0.502 9.124 521 H GLU 64 HN GLU 64 16.020 1.147 5.005 522 HA GLU 64 HA GLU 64 17.129 -0.962 3.256 523 1HB GLU 64 HB2 GLU 64 14.581 -1.078 4.890 524 2HB GLU 64 HB3 GLU 64 15.183 -2.343 3.831 525 1HG GLU 64 HG2 GLU 64 17.303 -1.873 5.552 526 2HG GLU 64 HG3 GLU 64 15.886 -1.716 6.586 527 H MET 65 HN MET 65 16.224 -1.220 1.236 528 HA MET 65 HA MET 65 14.737 0.992 0.157 529 1HB MET 65 HB2 MET 65 15.651 -1.632 -1.055 530 2HB MET 65 HB3 MET 65 14.789 -0.399 -1.965 531 1HG MET 65 HG2 MET 65 16.928 0.928 -0.719 532 2HG MET 65 HG3 MET 65 17.582 -0.589 -1.335 533 1HE MET 65 HE3 MET 65 15.818 2.755 -2.147 534 2HE MET 65 HE1 MET 65 15.607 2.692 -3.898 535 3HE MET 65 HE2 MET 65 14.631 1.661 -2.855 536 H VAL 66 HN VAL 66 12.672 1.086 0.999 537 HA VAL 66 HA VAL 66 10.902 -1.211 0.430 538 HB VAL 66 HB VAL 66 9.462 -0.358 2.337 539 1HG1 VAL 66 HG13 VAL 66 12.232 -1.347 3.011 540 2HG1 VAL 66 HG11 VAL 66 10.830 -1.407 4.081 541 3HG1 VAL 66 HG12 VAL 66 10.841 -2.339 2.583 542 1HG2 VAL 66 HG23 VAL 66 10.565 1.907 2.408 543 2HG2 VAL 66 HG21 VAL 66 10.397 1.106 3.969 544 3HG2 VAL 66 HG22 VAL 66 11.960 1.128 3.157 545 H TYR 67 HN TYR 67 8.533 -0.428 0.496 546 HA TYR 67 HA TYR 67 8.186 1.553 -1.582 547 1HB TYR 67 HB2 TYR 67 6.488 -0.549 -0.294 548 2HB TYR 67 HB3 TYR 67 5.665 0.827 -1.011 549 HD1 TYR 67 HD2 TYR 67 7.285 1.352 -3.404 550 HD2 TYR 67 HD1 TYR 67 5.983 -2.324 -1.705 551 HE1 TYR 67 HE2 TYR 67 7.380 0.308 -5.616 552 HE2 TYR 67 HE1 TYR 67 6.051 -3.387 -3.921 553 HH TYR 67 HH TYR 67 6.463 -3.098 -6.093 554 H CYS 68 HN CYS 68 7.064 3.446 -1.388 555 HA CYS 68 HA CYS 68 5.841 4.213 1.121 556 1HB CYS 68 HB2 CYS 68 7.157 6.334 1.261 557 2HB CYS 68 HB3 CYS 68 8.117 4.897 1.571 558 HG CYS 68 HG CYS 68 8.328 6.617 -1.006 559 H LEU 69 HN LEU 69 4.951 6.551 0.865 560 HA LEU 69 HA LEU 69 3.905 6.798 -1.883 561 1HB LEU 69 HB2 LEU 69 2.434 6.235 0.272 562 2HB LEU 69 HB3 LEU 69 2.448 7.981 0.428 563 HG LEU 69 HG LEU 69 1.523 8.154 -1.875 564 1HD1 LEU 69 HD13 LEU 69 2.166 5.356 -1.911 565 2HD1 LEU 69 HD11 LEU 69 0.441 5.583 -2.213 566 3HD1 LEU 69 HD12 LEU 69 1.629 6.400 -3.231 567 1HD2 LEU 69 HD21 LEU 69 0.071 8.237 0.075 568 2HD2 LEU 69 HD22 LEU 69 -0.724 7.449 -1.286 569 3HD2 LEU 69 HD23 LEU 69 -0.081 6.478 0.044 570 HA PRO 70 HA PRO 70 5.725 10.909 -2.006 571 1HB PRO 70 HB2 PRO 70 3.522 11.565 -3.886 572 2HB PRO 70 HB3 PRO 70 5.270 11.636 -4.131 573 1HG PRO 70 HG2 PRO 70 3.800 9.741 -5.295 574 2HG PRO 70 HG3 PRO 70 5.412 9.375 -4.647 575 1HD PRO 70 HD2 PRO 70 2.715 8.840 -3.426 576 2HD PRO 70 HD3 PRO 70 4.124 7.766 -3.559 577 H ALA 71 HN ALA 71 4.299 13.224 -2.498 578 HA ALA 71 HA ALA 71 3.024 13.730 0.032 579 1HB ALA 71 HB2 ALA 71 3.394 15.483 -2.391 580 2HB ALA 71 HB3 ALA 71 2.832 16.031 -0.815 581 3HB ALA 71 HB1 ALA 71 4.460 15.387 -0.990 582 H GLU 72 HN GLU 72 1.538 11.844 -1.185 583 HA GLU 72 HA GLU 72 -0.540 11.163 -1.715 584 1HB GLU 72 HB2 GLU 72 -1.289 13.912 -0.724 585 2HB GLU 72 HB3 GLU 72 -2.415 12.587 -0.972 586 1HG GLU 72 HG2 GLU 72 -0.069 12.438 0.915 587 2HG GLU 72 HG3 GLU 72 -1.663 13.007 1.399 588 H LEU 73 HN LEU 73 -0.505 10.857 -3.897 589 HA LEU 73 HA LEU 73 -0.778 13.064 -5.753 590 1HB LEU 73 HB2 LEU 73 -0.681 10.070 -6.179 591 2HB LEU 73 HB3 LEU 73 -0.776 11.242 -7.480 592 HG LEU 73 HG LEU 73 1.494 11.141 -5.483 593 1HD1 LEU 73 HD13 LEU 73 1.186 9.853 -8.180 594 2HD1 LEU 73 HD11 LEU 73 2.765 10.228 -7.491 595 3HD1 LEU 73 HD12 LEU 73 1.678 9.120 -6.657 596 1HD2 LEU 73 HD21 LEU 73 0.946 12.736 -7.961 597 2HD2 LEU 73 HD22 LEU 73 1.461 13.291 -6.367 598 3HD2 LEU 73 HD23 LEU 73 2.594 12.434 -7.413 599 H GLY 74 HN GLY 74 -2.870 13.653 -4.645 600 1HA GLY 74 HA1 GLY 74 -5.054 13.094 -6.365 601 2HA GLY 74 HA2 GLY 74 -5.241 12.195 -4.862 602 H VAL 75 HN VAL 75 -4.807 15.427 -6.219 603 HA VAL 75 HA VAL 75 -5.640 17.452 -5.621 604 HB VAL 75 HB VAL 75 -7.051 16.277 -3.230 605 1HG1 VAL 75 HG21 VAL 75 -7.255 18.784 -4.837 606 2HG1 VAL 75 HG22 VAL 75 -8.698 18.140 -4.059 607 3HG1 VAL 75 HG23 VAL 75 -7.291 18.558 -3.091 608 1HG2 VAL 75 HG13 VAL 75 -7.630 15.860 -6.089 609 2HG2 VAL 75 HG11 VAL 75 -8.128 14.931 -4.678 610 3HG2 VAL 75 HG12 VAL 75 -8.992 16.402 -5.116 611 HA PRO 76 HA PRO 76 -2.188 18.003 -2.734 612 1HB PRO 76 HB2 PRO 76 -1.613 20.569 -3.439 613 2HB PRO 76 HB3 PRO 76 -1.099 19.167 -4.379 614 1HG PRO 76 HG2 PRO 76 -3.395 21.025 -4.841 615 2HG PRO 76 HG3 PRO 76 -2.272 20.317 -6.015 616 1HD PRO 76 HD2 PRO 76 -4.794 19.376 -5.589 617 2HD PRO 76 HD3 PRO 76 -3.454 18.352 -6.142 618 H THR 77 HN THR 77 -2.787 18.202 -0.652 619 HA THR 77 HA THR 77 -4.795 20.125 0.177 620 HB THR 77 HB THR 77 -4.672 17.790 1.068 621 HG1 THR 77 HG1 THR 77 -5.828 19.130 2.317 622 1HG2 THR 77 HG21 THR 77 -1.987 18.186 1.532 623 2HG2 THR 77 HG23 THR 77 -2.699 18.309 3.142 624 3HG2 THR 77 HG22 THR 77 -2.976 16.870 2.164 625 H THR 78 HN THR 78 -3.276 21.875 -0.669 626 HA THR 78 HA THR 78 -2.161 23.282 1.543 627 HB THR 78 HB THR 78 -0.210 21.953 1.251 628 HG1 THR 78 HG1 THR 78 0.268 24.180 1.376 629 1HG2 THR 78 HG21 THR 78 -0.603 22.307 -1.690 630 2HG2 THR 78 HG23 THR 78 0.981 21.923 -1.021 631 3HG2 THR 78 HG22 THR 78 -0.371 20.829 -0.762 No H/Q in entry = 631 Start of MODEL 20 1 1H MET 1 HT1 MET 1 -25.415 -1.498 12.232 2 2H MET 1 HT3 MET 1 -25.906 -0.759 13.708 3 3H MET 1 HT2 MET 1 -27.087 -1.385 12.625 4 HA MET 1 HA MET 1 -27.244 0.533 11.685 5 1HB MET 1 HB2 MET 1 -24.951 1.206 13.540 6 2HB MET 1 HB3 MET 1 -25.649 2.405 12.455 7 1HG MET 1 HG2 MET 1 -27.858 2.003 13.506 8 2HG MET 1 HG3 MET 1 -27.069 0.940 14.666 9 1HE MET 1 HE3 MET 1 -25.265 1.577 16.227 10 2HE MET 1 HE1 MET 1 -24.232 2.708 15.359 11 3HE MET 1 HE2 MET 1 -24.991 3.193 16.877 12 H ARG 2 HN ARG 2 -26.494 1.735 9.874 13 HA ARG 2 HA ARG 2 -23.879 0.935 8.762 14 1HB ARG 2 HB2 ARG 2 -25.141 0.897 6.477 15 2HB ARG 2 HB3 ARG 2 -25.206 -0.508 7.524 16 1HG ARG 2 HG2 ARG 2 -27.418 0.079 8.280 17 2HG ARG 2 HG3 ARG 2 -27.364 1.594 7.377 18 1HD ARG 2 HD2 ARG 2 -27.140 -1.141 6.114 19 2HD ARG 2 HD3 ARG 2 -28.660 -0.256 6.271 20 HE ARG 2 HE ARG 2 -27.044 1.523 5.010 21 1HH1 ARG 2 HH12 ARG 2 -27.918 -1.811 4.356 22 2HH1 ARG 2 HH11 ARG 2 -27.742 -1.651 2.629 23 1HH2 ARG 2 HH22 ARG 2 -26.810 1.738 2.750 24 2HH2 ARG 2 HH21 ARG 2 -27.112 0.369 1.714 25 H SER 3 HN SER 3 -23.328 3.082 9.599 26 HA SER 3 HA SER 3 -24.474 5.457 8.494 27 1HB SER 3 HB2 SER 3 -21.734 5.068 9.750 28 2HB SER 3 HB3 SER 3 -22.549 6.609 9.484 29 HG SER 3 HG SER 3 -22.899 6.013 11.597 30 H SER 4 HN SER 4 -21.567 3.552 7.768 31 HA SER 4 HA SER 4 -21.659 4.346 4.983 32 1HB SER 4 HB2 SER 4 -19.422 5.199 6.818 33 2HB SER 4 HB3 SER 4 -19.109 4.899 5.109 34 HG SER 4 HG SER 4 -19.804 6.849 4.801 35 H ALA 5 HN ALA 5 -21.085 2.678 3.745 36 HA ALA 5 HA ALA 5 -19.360 0.553 4.827 37 1HB ALA 5 HB3 ALA 5 -22.101 0.156 3.655 38 2HB ALA 5 HB1 ALA 5 -20.900 -1.134 3.730 39 3HB ALA 5 HB2 ALA 5 -21.487 -0.391 5.215 40 H LYS 6 HN LYS 6 -17.977 1.960 3.426 41 HA LYS 6 HA LYS 6 -18.164 1.190 0.571 42 1HB LYS 6 HB2 LYS 6 -16.814 3.619 1.797 43 2HB LYS 6 HB3 LYS 6 -16.821 3.212 0.087 44 1HG LYS 6 HG2 LYS 6 -18.936 3.956 -0.231 45 2HG LYS 6 HG3 LYS 6 -19.471 3.476 1.378 46 1HD LYS 6 HD2 LYS 6 -18.743 5.431 2.361 47 2HD LYS 6 HD3 LYS 6 -17.510 5.716 1.131 48 1HE LYS 6 HE2 LYS 6 -20.486 5.986 0.689 49 2HE LYS 6 HE3 LYS 6 -19.389 7.325 1.021 50 1HZ LYS 6 HZ1 LYS 6 -18.275 5.915 -1.087 51 2HZ LYS 6 HZ3 LYS 6 -19.931 6.035 -1.451 52 3HZ LYS 6 HZ2 LYS 6 -19.016 7.445 -1.153 53 H GLN 7 HN GLN 7 -16.189 0.521 -0.438 54 HA GLN 7 HA GLN 7 -14.362 -0.732 1.417 55 1HB GLN 7 HB2 GLN 7 -15.218 -1.263 -1.242 56 2HB GLN 7 HB3 GLN 7 -13.470 -1.083 -1.278 57 1HG GLN 7 HG2 GLN 7 -13.538 -2.653 0.801 58 2HG GLN 7 HG3 GLN 7 -15.149 -3.061 0.211 59 1HE2 GLN 7 HE22 GLN 7 -12.387 -5.289 -1.151 60 2HE2 GLN 7 HE21 GLN 7 -12.647 -4.641 0.428 61 H GLU 8 HN GLU 8 -14.346 2.242 1.142 62 HA GLU 8 HA GLU 8 -11.779 2.938 0.021 63 1HB GLU 8 HB2 GLU 8 -13.585 4.473 1.911 64 2HB GLU 8 HB3 GLU 8 -12.158 5.130 1.115 65 1HG GLU 8 HG2 GLU 8 -13.301 4.553 -1.083 66 2HG GLU 8 HG3 GLU 8 -14.755 4.266 -0.132 67 H GLU 9 HN GLU 9 -12.559 1.082 2.564 68 HA GLU 9 HA GLU 9 -10.761 2.022 4.621 69 1HB GLU 9 HB2 GLU 9 -12.108 -0.668 4.247 70 2HB GLU 9 HB3 GLU 9 -11.252 -0.150 5.692 71 1HG GLU 9 HG2 GLU 9 -12.904 1.486 6.191 72 2HG GLU 9 HG3 GLU 9 -13.675 1.278 4.620 73 H LEU 10 HN LEU 10 -10.816 -0.320 2.007 74 HA LEU 10 HA LEU 10 -8.261 -1.491 2.473 75 1HB LEU 10 HB2 LEU 10 -10.008 -2.575 1.131 76 2HB LEU 10 HB3 LEU 10 -9.910 -1.292 -0.059 77 HG LEU 10 HG LEU 10 -7.711 -2.003 -0.741 78 1HD1 LEU 10 HD11 LEU 10 -7.819 -3.583 1.773 79 2HD1 LEU 10 HD12 LEU 10 -6.959 -4.273 0.399 80 3HD1 LEU 10 HD13 LEU 10 -6.472 -2.708 1.040 81 1HD2 LEU 10 HD21 LEU 10 -9.699 -3.233 -1.608 82 2HD2 LEU 10 HD22 LEU 10 -8.201 -4.166 -1.638 83 3HD2 LEU 10 HD23 LEU 10 -9.403 -4.467 -0.385 84 H VAL 11 HN VAL 11 -9.331 1.493 1.083 85 HA VAL 11 HA VAL 11 -6.909 1.966 -0.461 86 HB VAL 11 HB VAL 11 -9.194 3.835 0.239 87 1HG1 VAL 11 HG11 VAL 11 -6.610 4.309 -1.091 88 2HG1 VAL 11 HG12 VAL 11 -8.020 4.913 -1.962 89 3HG1 VAL 11 HG13 VAL 11 -7.714 5.441 -0.307 90 1HG2 VAL 11 HG23 VAL 11 -8.563 2.286 -2.271 91 2HG2 VAL 11 HG21 VAL 11 -9.935 2.044 -1.193 92 3HG2 VAL 11 HG22 VAL 11 -9.811 3.522 -2.143 93 H LYS 12 HN LYS 12 -8.396 3.722 2.302 94 HA LYS 12 HA LYS 12 -6.234 5.269 3.022 95 1HB LYS 12 HB2 LYS 12 -7.248 5.282 5.302 96 2HB LYS 12 HB3 LYS 12 -8.324 5.719 3.990 97 1HG LYS 12 HG2 LYS 12 -9.720 4.345 5.092 98 2HG LYS 12 HG3 LYS 12 -8.884 3.119 4.144 99 1HD LYS 12 HD2 LYS 12 -8.495 2.140 6.121 100 2HD LYS 12 HD3 LYS 12 -7.226 3.362 6.253 101 1HE LYS 12 HE2 LYS 12 -8.516 3.339 8.296 102 2HE LYS 12 HE3 LYS 12 -8.827 4.841 7.431 103 1HZ LYS 12 HZ1 LYS 12 -10.902 3.837 6.579 104 2HZ LYS 12 HZ3 LYS 12 -10.600 2.453 7.527 105 3HZ LYS 12 HZ2 LYS 12 -10.875 3.956 8.277 106 H ALA 13 HN ALA 13 -6.991 2.025 4.148 107 HA ALA 13 HA ALA 13 -4.828 1.618 5.872 108 1HB ALA 13 HB3 ALA 13 -6.731 0.081 5.725 109 2HB ALA 13 HB1 ALA 13 -6.188 -0.446 4.132 110 3HB ALA 13 HB2 ALA 13 -5.198 -0.772 5.557 111 H PHE 14 HN PHE 14 -5.075 1.073 2.363 112 HA PHE 14 HA PHE 14 -2.560 -0.068 1.906 113 1HB PHE 14 HB2 PHE 14 -4.510 0.099 0.279 114 2HB PHE 14 HB3 PHE 14 -4.022 1.744 -0.040 115 HD1 PHE 14 HD1 PHE 14 -3.087 -1.801 -0.336 116 HD2 PHE 14 HD2 PHE 14 -2.134 2.196 -1.440 117 HE1 PHE 14 HE1 PHE 14 -1.540 -2.648 -2.035 118 HE2 PHE 14 HE2 PHE 14 -0.580 1.341 -3.155 119 HZ PHE 14 HZ PHE 14 -0.291 -1.069 -3.435 120 H LYS 15 HN LYS 15 -3.545 3.365 1.694 121 HA LYS 15 HA LYS 15 -1.098 4.455 0.978 122 1HB LYS 15 HB2 LYS 15 -2.945 5.889 2.899 123 2HB LYS 15 HB3 LYS 15 -1.953 6.574 1.621 124 1HG LYS 15 HG2 LYS 15 -4.265 4.778 1.013 125 2HG LYS 15 HG3 LYS 15 -4.493 6.485 1.320 126 1HD LYS 15 HD2 LYS 15 -2.440 6.477 -0.519 127 2HD LYS 15 HD3 LYS 15 -3.408 5.095 -1.030 128 1HE LYS 15 HE2 LYS 15 -3.983 7.302 -2.123 129 2HE LYS 15 HE3 LYS 15 -5.326 6.434 -1.373 130 1HZ LYS 15 HZ1 LYS 15 -3.958 8.367 0.316 131 2HZ LYS 15 HZ3 LYS 15 -4.857 9.004 -0.972 132 3HZ LYS 15 HZ2 LYS 15 -5.614 8.011 0.185 133 H ALA 16 HN ALA 16 -2.404 4.020 4.270 134 HA ALA 16 HA ALA 16 -0.276 5.152 5.676 135 1HB ALA 16 HB2 ALA 16 -2.440 4.700 6.699 136 2HB ALA 16 HB3 ALA 16 -2.151 2.963 6.593 137 3HB ALA 16 HB1 ALA 16 -1.141 3.967 7.637 138 H LEU 17 HN LEU 17 -0.807 1.695 4.891 139 HA LEU 17 HA LEU 17 1.426 0.613 6.164 140 1HB LEU 17 HB2 LEU 17 0.067 -0.238 3.600 141 2HB LEU 17 HB3 LEU 17 1.290 -1.197 4.403 142 HG LEU 17 HG LEU 17 -1.504 -0.593 5.296 143 1HD1 LEU 17 HD12 LEU 17 0.056 -3.146 4.989 144 2HD1 LEU 17 HD13 LEU 17 -1.619 -3.024 5.537 145 3HD1 LEU 17 HD11 LEU 17 -1.190 -2.537 3.895 146 1HD2 LEU 17 HD21 LEU 17 0.801 -1.438 7.012 147 2HD2 LEU 17 HD22 LEU 17 -0.373 -0.159 7.296 148 3HD2 LEU 17 HD23 LEU 17 -0.864 -1.847 7.416 149 H LEU 18 HN LEU 18 1.156 2.014 2.930 150 HA LEU 18 HA LEU 18 3.878 1.483 2.190 151 1HB LEU 18 HB2 LEU 18 1.841 3.392 1.060 152 2HB LEU 18 HB3 LEU 18 3.409 3.096 0.339 153 HG LEU 18 HG LEU 18 1.369 0.911 0.750 154 1HD1 LEU 18 HD13 LEU 18 1.713 2.892 -1.448 155 2HD1 LEU 18 HD11 LEU 18 1.099 1.275 -1.784 156 3HD1 LEU 18 HD12 LEU 18 0.237 2.338 -0.666 157 1HD2 LEU 18 HD23 LEU 18 3.743 0.239 0.415 158 2HD2 LEU 18 HD21 LEU 18 2.672 -0.278 -0.886 159 3HD2 LEU 18 HD22 LEU 18 3.722 1.116 -1.117 160 H LYS 19 HN LYS 19 2.194 4.555 2.940 161 HA LYS 19 HA LYS 19 4.410 6.213 2.839 162 1HB LYS 19 HB2 LYS 19 1.899 6.554 4.490 163 2HB LYS 19 HB3 LYS 19 3.070 7.826 4.175 164 1HG LYS 19 HG2 LYS 19 2.549 7.898 1.859 165 2HG LYS 19 HG3 LYS 19 1.654 6.363 1.952 166 1HD LYS 19 HD2 LYS 19 -0.027 7.986 1.870 167 2HD LYS 19 HD3 LYS 19 0.094 7.588 3.585 168 1HE LYS 19 HE2 LYS 19 1.894 9.629 3.368 169 2HE LYS 19 HE3 LYS 19 0.689 10.096 2.170 170 1HZ LYS 19 HZ3 LYS 19 0.046 9.397 4.990 171 2HZ LYS 19 HZ2 LYS 19 0.281 10.991 4.433 172 3HZ LYS 19 HZ1 LYS 19 -1.017 10.062 3.834 173 H GLU 20 HN GLU 20 3.655 3.960 5.350 174 HA GLU 20 HA GLU 20 5.148 5.246 7.452 175 1HB GLU 20 HB2 GLU 20 3.852 2.570 7.085 176 2HB GLU 20 HB3 GLU 20 5.056 2.748 8.353 177 1HG GLU 20 HG2 GLU 20 3.727 4.665 9.250 178 2HG GLU 20 HG3 GLU 20 2.474 4.274 8.074 179 H GLU 21 HN GLU 21 5.997 3.290 4.721 180 HA GLU 21 HA GLU 21 7.973 2.540 3.892 181 1HB GLU 21 HB2 GLU 21 9.364 3.990 6.155 182 2HB GLU 21 HB3 GLU 21 10.046 3.509 4.611 183 1HG GLU 21 HG2 GLU 21 8.617 5.100 3.455 184 2HG GLU 21 HG3 GLU 21 7.887 5.578 4.983 185 H LYS 22 HN LYS 22 7.212 0.430 4.538 186 HA LYS 22 HA LYS 22 8.951 -0.861 6.520 187 1HB LYS 22 HB2 LYS 22 7.225 -0.745 7.964 188 2HB LYS 22 HB3 LYS 22 6.036 -0.515 6.698 189 1HG LYS 22 HG2 LYS 22 5.534 -2.499 7.842 190 2HG LYS 22 HG3 LYS 22 6.098 -2.953 6.249 191 1HD LYS 22 HD2 LYS 22 8.353 -3.375 7.308 192 2HD LYS 22 HD3 LYS 22 7.574 -3.143 8.872 193 1HE LYS 22 HE2 LYS 22 6.502 -5.110 6.868 194 2HE LYS 22 HE3 LYS 22 7.813 -5.548 7.964 195 1HZ LYS 22 HZ2 LYS 22 5.159 -4.520 8.839 196 2HZ LYS 22 HZ1 LYS 22 5.601 -6.163 8.792 197 3HZ LYS 22 HZ3 LYS 22 6.412 -5.094 9.842 198 H PHE 23 HN PHE 23 6.364 -1.567 4.170 199 HA PHE 23 HA PHE 23 7.374 -4.201 3.633 200 1HB PHE 23 HB2 PHE 23 5.299 -2.598 2.144 201 2HB PHE 23 HB3 PHE 23 5.524 -4.347 2.059 202 HD1 PHE 23 HD2 PHE 23 5.151 -5.728 4.119 203 HD2 PHE 23 HD1 PHE 23 4.045 -1.626 3.924 204 HE1 PHE 23 HE2 PHE 23 3.712 -6.033 6.084 205 HE2 PHE 23 HE1 PHE 23 2.612 -1.922 5.898 206 HZ PHE 23 HZ PHE 23 2.442 -4.127 6.977 207 H SER 24 HN SER 24 8.677 -4.884 2.048 208 HA SER 24 HA SER 24 9.870 -2.893 0.311 209 1HB SER 24 HB2 SER 24 11.035 -5.507 -0.047 210 2HB SER 24 HB3 SER 24 11.770 -4.035 0.573 211 HG SER 24 HG SER 24 10.456 -6.106 1.980 212 H SER 25 HN SER 25 7.844 -5.710 -0.005 213 HA SER 25 HA SER 25 7.613 -5.120 -2.881 214 1HB SER 25 HB2 SER 25 7.349 -7.679 -3.185 215 2HB SER 25 HB3 SER 25 8.970 -7.023 -2.985 216 HG SER 25 HG SER 25 8.370 -7.509 -0.579 217 H GLN 26 HN GLN 26 5.692 -6.217 -3.844 218 HA GLN 26 HA GLN 26 3.314 -5.325 -2.669 219 1HB GLN 26 HB2 GLN 26 3.526 -7.518 -4.732 220 2HB GLN 26 HB3 GLN 26 2.241 -6.375 -4.497 221 1HG GLN 26 HG2 GLN 26 3.165 -5.204 -6.146 222 2HG GLN 26 HG3 GLN 26 4.339 -4.701 -4.941 223 1HE2 GLN 26 HE22 GLN 26 5.897 -6.165 -8.081 224 2HE2 GLN 26 HE21 GLN 26 4.544 -5.103 -7.876 225 H GLY 27 HN GLY 27 4.429 -8.692 -3.060 226 1HA GLY 27 HA1 GLY 27 2.507 -10.141 -1.813 227 2HA GLY 27 HA2 GLY 27 4.206 -10.544 -1.691 228 H GLU 28 HN GLU 28 5.048 -8.364 -0.049 229 HA GLU 28 HA GLU 28 4.422 -9.359 2.521 230 1HB GLU 28 HB2 GLU 28 5.635 -6.660 1.871 231 2HB GLU 28 HB3 GLU 28 5.766 -7.547 3.385 232 1HG GLU 28 HG2 GLU 28 7.108 -9.246 2.344 233 2HG GLU 28 HG3 GLU 28 6.898 -8.499 0.762 234 H ILE 29 HN ILE 29 3.309 -6.415 0.813 235 HA ILE 29 HA ILE 29 1.698 -5.563 3.040 236 HB ILE 29 HB ILE 29 2.031 -3.629 2.051 237 1HG1 ILE 29 HG12 ILE 29 0.060 -4.506 -0.058 238 2HG1 ILE 29 HG13 ILE 29 -0.356 -3.848 1.527 239 1HG2 ILE 29 HG21 ILE 29 3.736 -4.589 0.578 240 2HG2 ILE 29 HG22 ILE 29 2.489 -4.924 -0.621 241 3HG2 ILE 29 HG23 ILE 29 2.862 -3.263 -0.183 242 1HD1 ILE 29 HD11 ILE 29 1.315 -1.930 0.570 243 2HD1 ILE 29 HD12 ILE 29 0.529 -2.491 -0.910 244 3HD1 ILE 29 HD13 ILE 29 -0.444 -1.901 0.432 245 H VAL 30 HN VAL 30 1.228 -7.730 0.405 246 HA VAL 30 HA VAL 30 -1.623 -7.710 0.249 247 HB VAL 30 HB VAL 30 0.283 -10.013 -0.301 248 1HG1 VAL 30 HG11 VAL 30 -2.580 -9.584 -1.132 249 2HG1 VAL 30 HG12 VAL 30 -1.542 -10.884 -1.709 250 3HG1 VAL 30 HG13 VAL 30 -1.991 -10.801 -0.007 251 1HG2 VAL 30 HG21 VAL 30 0.205 -7.635 -1.656 252 2HG2 VAL 30 HG22 VAL 30 0.733 -9.169 -2.333 253 3HG2 VAL 30 HG23 VAL 30 -0.918 -8.623 -2.576 254 H ALA 31 HN ALA 31 0.701 -9.747 2.029 255 HA ALA 31 HA ALA 31 -1.205 -11.203 3.536 256 1HB ALA 31 HB2 ALA 31 1.712 -10.648 4.081 257 2HB ALA 31 HB3 ALA 31 0.723 -11.778 5.002 258 3HB ALA 31 HB1 ALA 31 1.021 -12.066 3.288 259 H ALA 32 HN ALA 32 0.449 -8.131 4.120 260 HA ALA 32 HA ALA 32 -0.187 -7.758 6.825 261 1HB ALA 32 HB1 ALA 32 1.436 -6.396 5.547 262 2HB ALA 32 HB2 ALA 32 0.087 -5.594 4.741 263 3HB ALA 32 HB3 ALA 32 0.300 -5.429 6.488 264 H LEU 33 HN LEU 33 -2.024 -6.738 3.916 265 HA LEU 33 HA LEU 33 -4.138 -5.532 5.403 266 1HB LEU 33 HB2 LEU 33 -4.213 -6.515 2.549 267 2HB LEU 33 HB3 LEU 33 -5.389 -5.448 3.308 268 HG LEU 33 HG LEU 33 -2.503 -4.625 3.198 269 1HD1 LEU 33 HD12 LEU 33 -3.036 -5.283 0.918 270 2HD1 LEU 33 HD13 LEU 33 -4.493 -4.285 0.959 271 3HD1 LEU 33 HD11 LEU 33 -2.898 -3.530 1.061 272 1HD2 LEU 33 HD23 LEU 33 -5.114 -3.125 3.210 273 2HD2 LEU 33 HD21 LEU 33 -3.982 -3.286 4.548 274 3HD2 LEU 33 HD22 LEU 33 -3.520 -2.381 3.110 275 H GLN 34 HN GLN 34 -3.588 -8.806 4.187 276 HA GLN 34 HA GLN 34 -6.191 -9.821 4.619 277 1HB GLN 34 HB2 GLN 34 -3.477 -11.147 4.621 278 2HB GLN 34 HB3 GLN 34 -4.954 -12.056 4.903 279 1HG GLN 34 HG2 GLN 34 -5.773 -11.617 2.743 280 2HG GLN 34 HG3 GLN 34 -4.577 -10.354 2.456 281 1HE2 GLN 34 HE22 GLN 34 -3.302 -13.101 0.524 282 2HE2 GLN 34 HE21 GLN 34 -4.512 -11.869 0.475 283 H GLU 35 HN GLU 35 -3.421 -9.425 6.781 284 HA GLU 35 HA GLU 35 -4.640 -10.645 9.068 285 1HB GLU 35 HB2 GLU 35 -2.262 -8.800 8.753 286 2HB GLU 35 HB3 GLU 35 -2.767 -9.443 10.307 287 1HG GLU 35 HG2 GLU 35 -2.120 -11.224 7.975 288 2HG GLU 35 HG3 GLU 35 -0.887 -10.643 9.090 289 H GLN 36 HN GLN 36 -4.581 -7.393 7.726 290 HA GLN 36 HA GLN 36 -5.489 -5.962 10.002 291 1HB GLN 36 HB2 GLN 36 -5.583 -5.380 7.047 292 2HB GLN 36 HB3 GLN 36 -6.271 -4.281 8.224 293 1HG GLN 36 HG2 GLN 36 -3.495 -5.134 8.749 294 2HG GLN 36 HG3 GLN 36 -3.729 -4.156 7.303 295 1HE2 GLN 36 HE22 GLN 36 -4.012 -1.174 9.038 296 2HE2 GLN 36 HE21 GLN 36 -3.855 -2.012 7.536 297 H GLY 37 HN GLY 37 -7.282 -7.081 7.110 298 1HA GLY 37 HA1 GLY 37 -9.428 -8.268 8.229 299 2HA GLY 37 HA2 GLY 37 -9.817 -6.566 8.437 300 H PHE 38 HN PHE 38 -8.118 -7.956 5.652 301 HA PHE 38 HA PHE 38 -10.479 -7.329 3.976 302 1HB PHE 38 HB2 PHE 38 -7.576 -6.902 3.242 303 2HB PHE 38 HB3 PHE 38 -8.972 -6.525 2.235 304 HD1 PHE 38 HD2 PHE 38 -10.477 -4.664 2.865 305 HD2 PHE 38 HD1 PHE 38 -6.911 -5.468 5.031 306 HE1 PHE 38 HE2 PHE 38 -10.595 -2.438 3.895 307 HE2 PHE 38 HE1 PHE 38 -7.021 -3.252 6.064 308 HZ PHE 38 HZ PHE 38 -8.856 -1.730 5.495 309 H ASP 39 HN ASP 39 -11.293 -9.143 3.196 310 HA ASP 39 HA ASP 39 -9.592 -11.454 2.666 311 1HB ASP 39 HB2 ASP 39 -11.791 -11.550 3.988 312 2HB ASP 39 HB3 ASP 39 -12.572 -11.391 2.427 313 H ASN 40 HN ASN 40 -10.669 -8.904 0.977 314 HA ASN 40 HA ASN 40 -10.810 -10.335 -1.586 315 1HB ASN 40 HB2 ASN 40 -12.787 -8.881 -0.838 316 2HB ASN 40 HB3 ASN 40 -11.742 -7.498 -1.129 317 1HD2 ASN 40 HD22 ASN 40 -13.764 -7.977 -4.140 318 2HD2 ASN 40 HD21 ASN 40 -14.020 -7.573 -2.477 319 H ILE 41 HN ILE 41 -8.363 -10.311 -0.948 320 HA ILE 41 HA ILE 41 -7.107 -8.114 -2.431 321 HB ILE 41 HB ILE 41 -6.752 -8.704 0.434 322 1HG1 ILE 41 HG12 ILE 41 -7.492 -6.538 -0.731 323 2HG1 ILE 41 HG13 ILE 41 -6.322 -6.403 0.577 324 1HG2 ILE 41 HG23 ILE 41 -4.304 -8.287 -1.273 325 2HG2 ILE 41 HG21 ILE 41 -4.358 -8.064 0.475 326 3HG2 ILE 41 HG22 ILE 41 -4.652 -9.661 -0.214 327 1HD1 ILE 41 HD12 ILE 41 -5.317 -6.628 -2.213 328 2HD1 ILE 41 HD13 ILE 41 -6.004 -5.097 -1.667 329 3HD1 ILE 41 HD11 ILE 41 -4.622 -5.794 -0.818 330 H ASN 42 HN ASN 42 -5.167 -8.636 -3.423 331 HA ASN 42 HA ASN 42 -3.922 -11.196 -3.143 332 1HB ASN 42 HB2 ASN 42 -4.229 -11.924 -5.510 333 2HB ASN 42 HB3 ASN 42 -5.722 -11.951 -4.589 334 1HD2 ASN 42 HD22 ASN 42 -7.412 -9.959 -6.841 335 2HD2 ASN 42 HD21 ASN 42 -7.437 -11.088 -5.528 336 H GLN 43 HN GLN 43 -2.124 -11.387 -4.922 337 HA GLN 43 HA GLN 43 -0.400 -9.220 -4.598 338 1HB GLN 43 HB2 GLN 43 -0.035 -11.748 -5.409 339 2HB GLN 43 HB3 GLN 43 0.052 -10.955 -6.976 340 1HG GLN 43 HG2 GLN 43 1.770 -9.395 -5.880 341 2HG GLN 43 HG3 GLN 43 1.822 -10.577 -4.571 342 1HE2 GLN 43 HE22 GLN 43 3.458 -13.065 -6.474 343 2HE2 GLN 43 HE21 GLN 43 2.342 -12.796 -5.178 344 H SER 44 HN SER 44 -2.389 -10.040 -7.437 345 HA SER 44 HA SER 44 -1.510 -8.010 -9.137 346 1HB SER 44 HB2 SER 44 -4.320 -8.972 -9.208 347 2HB SER 44 HB3 SER 44 -3.233 -8.637 -10.530 348 HG SER 44 HG SER 44 -3.091 -10.854 -8.760 349 H LYS 45 HN LYS 45 -4.209 -8.066 -6.854 350 HA LYS 45 HA LYS 45 -5.260 -5.509 -7.389 351 1HB LYS 45 HB2 LYS 45 -6.191 -7.502 -5.969 352 2HB LYS 45 HB3 LYS 45 -5.341 -6.739 -4.637 353 1HG LYS 45 HG2 LYS 45 -6.877 -5.118 -4.433 354 2HG LYS 45 HG3 LYS 45 -7.032 -4.907 -6.179 355 1HD LYS 45 HD2 LYS 45 -8.654 -6.538 -6.375 356 2HD LYS 45 HD3 LYS 45 -8.150 -7.368 -4.903 357 1HE LYS 45 HE2 LYS 45 -10.308 -6.263 -4.611 358 2HE LYS 45 HE3 LYS 45 -9.080 -5.586 -3.541 359 1HZ LYS 45 HZ2 LYS 45 -9.567 -4.306 -6.148 360 2HZ LYS 45 HZ1 LYS 45 -10.658 -4.031 -4.871 361 3HZ LYS 45 HZ3 LYS 45 -9.016 -3.619 -4.688 362 H VAL 46 HN VAL 46 -2.673 -6.568 -5.256 363 HA VAL 46 HA VAL 46 -2.234 -4.060 -3.933 364 HB VAL 46 HB VAL 46 -0.733 -6.649 -4.089 365 1HG1 VAL 46 HG13 VAL 46 0.995 -4.923 -4.138 366 2HG1 VAL 46 HG11 VAL 46 0.260 -4.157 -2.723 367 3HG1 VAL 46 HG12 VAL 46 0.967 -5.762 -2.592 368 1HG2 VAL 46 HG23 VAL 46 -2.475 -5.225 -2.187 369 2HG2 VAL 46 HG21 VAL 46 -2.203 -6.950 -2.397 370 3HG2 VAL 46 HG22 VAL 46 -1.062 -5.982 -1.465 371 H SER 47 HN SER 47 -0.620 -5.773 -6.614 372 HA SER 47 HA SER 47 1.319 -3.792 -7.154 373 1HB SER 47 HB2 SER 47 0.108 -6.039 -8.747 374 2HB SER 47 HB3 SER 47 1.257 -4.931 -9.494 375 HG SER 47 HG SER 47 2.099 -6.940 -8.456 376 H ARG 48 HN ARG 48 -2.007 -4.207 -8.251 377 HA ARG 48 HA ARG 48 -1.971 -2.146 -10.230 378 1HB ARG 48 HB2 ARG 48 -4.153 -3.651 -8.814 379 2HB ARG 48 HB3 ARG 48 -4.543 -2.267 -9.825 380 1HG ARG 48 HG2 ARG 48 -3.685 -3.311 -11.764 381 2HG ARG 48 HG3 ARG 48 -2.915 -4.590 -10.821 382 1HD ARG 48 HD2 ARG 48 -4.953 -5.380 -11.917 383 2HD ARG 48 HD3 ARG 48 -5.086 -5.447 -10.159 384 HE ARG 48 HE ARG 48 -6.142 -2.999 -11.191 385 1HH1 ARG 48 HH12 ARG 48 -6.851 -6.409 -10.834 386 2HH1 ARG 48 HH11 ARG 48 -8.581 -6.181 -10.837 387 1HH2 ARG 48 HH22 ARG 48 -8.418 -2.687 -11.200 388 2HH2 ARG 48 HH21 ARG 48 -9.464 -4.068 -11.053 389 H MET 49 HN MET 49 -2.849 -2.236 -6.792 390 HA MET 49 HA MET 49 -3.760 0.456 -6.649 391 1HB MET 49 HB2 MET 49 -2.988 -1.610 -4.627 392 2HB MET 49 HB3 MET 49 -3.152 0.062 -4.110 393 1HG MET 49 HG2 MET 49 -5.446 0.026 -5.190 394 2HG MET 49 HG3 MET 49 -5.251 -1.721 -5.288 395 1HE MET 49 HE2 MET 49 -3.998 -2.786 -2.781 396 2HE MET 49 HE3 MET 49 -5.349 -2.914 -1.659 397 3HE MET 49 HE1 MET 49 -5.566 -3.355 -3.352 398 H LEU 50 HN LEU 50 -0.572 -1.043 -6.325 399 HA LEU 50 HA LEU 50 0.830 1.197 -5.301 400 1HB LEU 50 HB2 LEU 50 1.627 -1.247 -6.853 401 2HB LEU 50 HB3 LEU 50 2.791 0.049 -6.662 402 HG LEU 50 HG LEU 50 1.450 -0.980 -4.220 403 1HD1 LEU 50 HD13 LEU 50 3.381 -2.535 -5.873 404 2HD1 LEU 50 HD11 LEU 50 3.423 -2.659 -4.114 405 3HD1 LEU 50 HD12 LEU 50 1.958 -3.089 -4.991 406 1HD2 LEU 50 HD23 LEU 50 4.087 0.215 -4.894 407 2HD2 LEU 50 HD21 LEU 50 2.874 0.744 -3.727 408 3HD2 LEU 50 HD22 LEU 50 3.855 -0.681 -3.398 409 H THR 51 HN THR 51 0.200 0.109 -8.628 410 HA THR 51 HA THR 51 1.501 2.298 -9.901 411 HB THR 51 HB THR 51 -0.672 0.552 -11.083 412 HG1 THR 51 HG1 THR 51 0.739 -0.927 -10.337 413 1HG2 THR 51 HG23 THR 51 1.111 2.514 -12.199 414 2HG2 THR 51 HG22 THR 51 1.407 0.928 -12.910 415 3HG2 THR 51 HG21 THR 51 -0.211 1.630 -12.958 416 H LYS 52 HN LYS 52 -1.928 1.592 -9.200 417 HA LYS 52 HA LYS 52 -3.109 3.840 -10.346 418 1HB LYS 52 HB2 LYS 52 -4.357 1.877 -9.546 419 2HB LYS 52 HB3 LYS 52 -3.975 2.297 -7.884 420 1HG LYS 52 HG2 LYS 52 -5.247 4.517 -9.245 421 2HG LYS 52 HG3 LYS 52 -6.230 3.056 -9.347 422 1HD LYS 52 HD2 LYS 52 -5.867 2.803 -6.840 423 2HD LYS 52 HD3 LYS 52 -5.238 4.451 -6.864 424 1HE LYS 52 HE2 LYS 52 -7.997 3.576 -7.724 425 2HE LYS 52 HE3 LYS 52 -7.591 4.430 -6.237 426 1HZ LYS 52 HZ1 LYS 52 -6.811 6.308 -7.591 427 2HZ LYS 52 HZ3 LYS 52 -7.279 5.479 -9.008 428 3HZ LYS 52 HZ2 LYS 52 -8.454 5.957 -7.872 429 H PHE 53 HN PHE 53 -2.096 3.412 -6.941 430 HA PHE 53 HA PHE 53 -2.683 6.134 -6.255 431 1HB PHE 53 HB2 PHE 53 -1.234 3.923 -4.770 432 2HB PHE 53 HB3 PHE 53 -1.523 5.515 -4.086 433 HD1 PHE 53 HD2 PHE 53 -4.225 6.178 -4.726 434 HD2 PHE 53 HD1 PHE 53 -2.587 2.371 -3.769 435 HE1 PHE 53 HE2 PHE 53 -6.429 5.425 -3.935 436 HE2 PHE 53 HE1 PHE 53 -4.771 1.620 -2.969 437 HZ PHE 53 HZ PHE 53 -6.703 3.136 -3.055 438 H GLY 54 HN GLY 54 -0.088 4.796 -7.943 439 1HA GLY 54 HA1 GLY 54 1.870 5.756 -8.705 440 2HA GLY 54 HA2 GLY 54 1.370 7.255 -7.939 441 H ALA 55 HN ALA 55 2.354 4.003 -6.860 442 HA ALA 55 HA ALA 55 3.615 5.025 -4.493 443 1HB ALA 55 HB3 ALA 55 2.504 2.849 -4.522 444 2HB ALA 55 HB1 ALA 55 3.702 2.252 -5.673 445 3HB ALA 55 HB2 ALA 55 4.200 2.706 -4.041 446 H VAL 56 HN VAL 56 5.751 5.050 -3.940 447 HA VAL 56 HA VAL 56 7.742 4.790 -6.111 448 HB VAL 56 HB VAL 56 8.988 6.651 -5.186 449 1HG1 VAL 56 HG11 VAL 56 6.891 6.993 -6.687 450 2HG1 VAL 56 HG12 VAL 56 6.178 7.694 -5.232 451 3HG1 VAL 56 HG13 VAL 56 7.641 8.394 -5.922 452 1HG2 VAL 56 HG22 VAL 56 7.168 6.319 -2.893 453 2HG2 VAL 56 HG23 VAL 56 8.824 6.922 -2.949 454 3HG2 VAL 56 HG21 VAL 56 7.478 7.986 -3.357 455 H ARG 57 HN ARG 57 9.978 4.352 -5.273 456 HA ARG 57 HA ARG 57 9.898 2.664 -2.841 457 1HB ARG 57 HB2 ARG 57 11.549 2.224 -5.345 458 2HB ARG 57 HB3 ARG 57 11.603 1.243 -3.890 459 1HG ARG 57 HG2 ARG 57 9.060 0.921 -4.322 460 2HG ARG 57 HG3 ARG 57 9.473 1.406 -5.965 461 1HD ARG 57 HD2 ARG 57 9.479 -1.060 -5.621 462 2HD ARG 57 HD3 ARG 57 11.024 -0.416 -6.180 463 HE ARG 57 HE ARG 57 11.138 -0.502 -3.403 464 1HH1 ARG 57 HH12 ARG 57 10.835 -2.763 -6.044 465 2HH1 ARG 57 HH11 ARG 57 11.631 -4.061 -5.201 466 1HH2 ARG 57 HH22 ARG 57 12.193 -2.213 -2.280 467 2HH2 ARG 57 HH21 ARG 57 12.396 -3.750 -3.068 468 H THR 58 HN THR 58 11.498 2.981 -1.310 469 HA THR 58 HA THR 58 13.894 4.462 -1.966 470 HB THR 58 HB THR 58 11.942 6.172 -1.663 471 HG1 THR 58 HG1 THR 58 13.927 7.016 -1.811 472 1HG2 THR 58 HG23 THR 58 11.337 5.103 0.633 473 2HG2 THR 58 HG22 THR 58 12.667 6.099 1.221 474 3HG2 THR 58 HG21 THR 58 11.290 6.853 0.416 475 H ARG 59 HN ARG 59 15.217 4.949 0.058 476 HA ARG 59 HA ARG 59 15.278 2.572 1.700 477 1HB ARG 59 HB2 ARG 59 17.128 4.754 1.033 478 2HB ARG 59 HB3 ARG 59 17.230 4.236 2.704 479 1HG ARG 59 HG2 ARG 59 17.375 1.854 1.738 480 2HG ARG 59 HG3 ARG 59 17.742 2.658 0.211 481 1HD ARG 59 HD2 ARG 59 19.267 3.096 2.775 482 2HD ARG 59 HD3 ARG 59 19.743 1.964 1.513 483 HE ARG 59 HE ARG 59 19.369 4.782 0.774 484 1HH1 ARG 59 HH12 ARG 59 21.594 2.158 1.472 485 2HH1 ARG 59 HH11 ARG 59 22.961 2.961 0.746 486 1HH2 ARG 59 HH22 ARG 59 21.133 5.819 -0.174 487 2HH2 ARG 59 HH21 ARG 59 22.696 5.051 -0.196 488 H ASN 60 HN ASN 60 14.482 2.367 3.701 489 HA ASN 60 HA ASN 60 13.177 4.656 4.941 490 1HB ASN 60 HB2 ASN 60 12.033 3.099 6.354 491 2HB ASN 60 HB3 ASN 60 11.998 2.472 4.718 492 1HD2 ASN 60 HD22 ASN 60 12.675 -0.360 6.931 493 2HD2 ASN 60 HD21 ASN 60 11.396 0.769 6.641 494 H ALA 61 HN ALA 61 13.273 3.974 7.627 495 HA ALA 61 HA ALA 61 15.581 5.275 8.500 496 1HB ALA 61 HB3 ALA 61 13.642 3.547 10.042 497 2HB ALA 61 HB1 ALA 61 14.869 4.575 10.784 498 3HB ALA 61 HB2 ALA 61 13.579 5.296 9.823 499 H LYS 62 HN LYS 62 15.167 1.898 7.781 500 HA LYS 62 HA LYS 62 17.680 1.241 9.180 501 1HB LYS 62 HB2 LYS 62 15.378 -0.510 8.321 502 2HB LYS 62 HB3 LYS 62 16.951 -1.155 8.769 503 1HG LYS 62 HG2 LYS 62 15.780 -1.330 10.737 504 2HG LYS 62 HG3 LYS 62 16.632 0.199 10.947 505 1HD LYS 62 HD2 LYS 62 14.691 1.467 10.543 506 2HD LYS 62 HD3 LYS 62 13.827 0.088 9.857 507 1HE LYS 62 HE2 LYS 62 14.766 0.042 12.703 508 2HE LYS 62 HE3 LYS 62 13.276 0.880 12.271 509 1HZ LYS 62 HZ3 LYS 62 12.520 -1.236 11.232 510 2HZ LYS 62 HZ2 LYS 62 13.886 -2.008 11.895 511 3HZ LYS 62 HZ1 LYS 62 12.712 -1.318 12.922 512 H MET 63 HN MET 63 17.334 2.527 6.478 513 HA MET 63 HA MET 63 18.412 2.530 4.504 514 1HB MET 63 HB2 MET 63 20.130 0.193 5.254 515 2HB MET 63 HB3 MET 63 20.556 1.672 4.422 516 1HG MET 63 HG2 MET 63 20.144 1.282 7.352 517 2HG MET 63 HG3 MET 63 21.624 1.718 6.511 518 1HE MET 63 HE2 MET 63 22.519 3.984 6.727 519 2HE MET 63 HE3 MET 63 21.826 4.102 5.114 520 3HE MET 63 HE1 MET 63 21.611 5.421 6.260 521 H GLU 64 HN GLU 64 16.180 0.454 5.072 522 HA GLU 64 HA GLU 64 16.742 -1.560 3.043 523 1HB GLU 64 HB2 GLU 64 14.217 -1.153 4.662 524 2HB GLU 64 HB3 GLU 64 14.647 -2.570 3.711 525 1HG GLU 64 HG2 GLU 64 16.745 -2.564 5.341 526 2HG GLU 64 HG3 GLU 64 15.622 -1.696 6.381 527 H MET 65 HN MET 65 16.144 -1.368 0.962 528 HA MET 65 HA MET 65 14.724 0.931 0.007 529 1HB MET 65 HB2 MET 65 15.488 -1.604 -1.464 530 2HB MET 65 HB3 MET 65 14.928 -0.112 -2.209 531 1HG MET 65 HG2 MET 65 17.008 0.811 -0.756 532 2HG MET 65 HG3 MET 65 17.550 -0.820 -1.117 533 1HE MET 65 HE1 MET 65 16.117 2.398 -2.367 534 2HE MET 65 HE2 MET 65 17.805 2.820 -2.653 535 3HE MET 65 HE3 MET 65 16.709 2.599 -4.017 536 H VAL 66 HN VAL 66 12.746 0.826 1.074 537 HA VAL 66 HA VAL 66 10.961 -1.387 0.349 538 HB VAL 66 HB VAL 66 9.523 -0.631 2.244 539 1HG1 VAL 66 HG12 VAL 66 11.139 -2.438 2.557 540 2HG1 VAL 66 HG13 VAL 66 12.372 -1.259 3.006 541 3HG1 VAL 66 HG11 VAL 66 10.948 -1.477 4.027 542 1HG2 VAL 66 HG22 VAL 66 11.780 1.322 2.686 543 2HG2 VAL 66 HG23 VAL 66 10.065 1.672 2.460 544 3HG2 VAL 66 HG21 VAL 66 10.614 0.879 3.932 545 H TYR 67 HN TYR 67 8.589 -0.675 0.425 546 HA TYR 67 HA TYR 67 8.175 1.215 -1.710 547 1HB TYR 67 HB2 TYR 67 6.558 -0.878 -0.343 548 2HB TYR 67 HB3 TYR 67 5.663 0.506 -0.940 549 HD1 TYR 67 HD1 TYR 67 6.970 1.184 -3.423 550 HD2 TYR 67 HD2 TYR 67 6.088 -2.628 -1.759 551 HE1 TYR 67 HE1 TYR 67 6.953 0.223 -5.674 552 HE2 TYR 67 HE2 TYR 67 6.018 -3.617 -4.010 553 HH TYR 67 HH TYR 67 7.038 -3.074 -6.289 554 H CYS 68 HN CYS 68 6.919 3.034 -1.591 555 HA CYS 68 HA CYS 68 5.801 3.969 0.885 556 1HB CYS 68 HB2 CYS 68 7.171 6.151 0.720 557 2HB CYS 68 HB3 CYS 68 7.966 4.742 1.404 558 HG CYS 68 HG CYS 68 8.847 4.601 -1.301 559 H LEU 69 HN LEU 69 4.913 6.252 0.521 560 HA LEU 69 HA LEU 69 4.132 6.650 -2.279 561 1HB LEU 69 HB2 LEU 69 2.351 6.266 0.067 562 2HB LEU 69 HB3 LEU 69 1.889 7.535 -1.042 563 HG LEU 69 HG LEU 69 2.439 4.752 -1.965 564 1HD1 LEU 69 HD13 LEU 69 -0.191 5.888 -1.061 565 2HD1 LEU 69 HD11 LEU 69 0.025 4.329 -1.860 566 3HD1 LEU 69 HD12 LEU 69 0.713 4.603 -0.260 567 1HD2 LEU 69 HD22 LEU 69 2.391 6.481 -3.677 568 2HD2 LEU 69 HD23 LEU 69 1.122 5.277 -3.859 569 3HD2 LEU 69 HD21 LEU 69 0.735 6.865 -3.198 570 HA PRO 70 HA PRO 70 5.006 10.919 -1.552 571 1HB PRO 70 HB2 PRO 70 2.654 11.998 -2.753 572 2HB PRO 70 HB3 PRO 70 4.228 11.774 -3.487 573 1HG PRO 70 HG2 PRO 70 1.792 10.305 -3.927 574 2HG PRO 70 HG3 PRO 70 3.335 10.154 -4.777 575 1HD PRO 70 HD2 PRO 70 2.185 8.340 -2.888 576 2HD PRO 70 HD3 PRO 70 3.747 8.226 -3.720 577 H ALA 71 HN ALA 71 3.138 12.930 -1.274 578 HA ALA 71 HA ALA 71 2.412 12.914 1.468 579 1HB ALA 71 HB1 ALA 71 2.964 14.927 0.087 580 2HB ALA 71 HB2 ALA 71 1.408 14.739 -0.718 581 3HB ALA 71 HB3 ALA 71 1.472 15.080 1.015 582 H GLU 72 HN GLU 72 -0.099 13.733 1.840 583 HA GLU 72 HA GLU 72 -1.644 11.397 1.348 584 1HB GLU 72 HB2 GLU 72 -1.814 12.962 3.365 585 2HB GLU 72 HB3 GLU 72 -2.771 14.019 2.338 586 1HG GLU 72 HG2 GLU 72 -4.077 12.491 3.831 587 2HG GLU 72 HG3 GLU 72 -4.490 12.408 2.120 588 H LEU 73 HN LEU 73 -2.244 10.938 -0.661 589 HA LEU 73 HA LEU 73 -3.379 13.021 -2.402 590 1HB LEU 73 HB2 LEU 73 -1.430 11.840 -3.297 591 2HB LEU 73 HB3 LEU 73 -2.218 10.296 -3.069 592 HG LEU 73 HG LEU 73 -3.617 12.283 -4.802 593 1HD1 LEU 73 HD12 LEU 73 -1.280 12.531 -5.502 594 2HD1 LEU 73 HD13 LEU 73 -1.173 10.782 -5.735 595 3HD1 LEU 73 HD11 LEU 73 -2.260 11.743 -6.739 596 1HD2 LEU 73 HD23 LEU 73 -3.325 9.318 -4.626 597 2HD2 LEU 73 HD21 LEU 73 -4.781 10.304 -4.741 598 3HD2 LEU 73 HD22 LEU 73 -3.771 10.052 -6.165 599 H GLY 74 HN GLY 74 -5.508 13.089 -1.935 600 1HA GLY 74 HA1 GLY 74 -7.120 10.728 -2.519 601 2HA GLY 74 HA2 GLY 74 -7.250 11.350 -0.877 602 H VAL 75 HN VAL 75 -8.773 11.357 -3.706 603 HA VAL 75 HA VAL 75 -9.415 14.090 -4.142 604 HB VAL 75 HB VAL 75 -11.415 13.072 -5.435 605 1HG1 VAL 75 HG22 VAL 75 -8.506 12.797 -6.065 606 2HG1 VAL 75 HG23 VAL 75 -9.701 12.144 -7.187 607 3HG1 VAL 75 HG21 VAL 75 -9.722 13.856 -6.778 608 1HG2 VAL 75 HG12 VAL 75 -11.095 10.847 -4.119 609 2HG2 VAL 75 HG13 VAL 75 -11.510 10.793 -5.831 610 3HG2 VAL 75 HG11 VAL 75 -9.844 10.525 -5.319 611 HA PRO 76 HA PRO 76 -12.548 15.029 -1.160 612 1HB PRO 76 HB2 PRO 76 -14.295 16.087 -3.316 613 2HB PRO 76 HB3 PRO 76 -13.624 16.904 -1.901 614 1HG PRO 76 HG2 PRO 76 -12.673 17.375 -4.355 615 2HG PRO 76 HG3 PRO 76 -11.603 17.333 -2.943 616 1HD PRO 76 HD2 PRO 76 -12.045 15.256 -5.053 617 2HD PRO 76 HD3 PRO 76 -10.538 15.766 -4.267 618 H THR 77 HN THR 77 -14.168 13.963 -0.178 619 HA THR 77 HA THR 77 -16.235 12.601 -1.742 620 HB THR 77 HB THR 77 -14.504 10.892 -1.500 621 HG1 THR 77 HG1 THR 77 -15.987 9.482 -1.147 622 1HG2 THR 77 HG22 THR 77 -13.373 11.735 0.549 623 2HG2 THR 77 HG21 THR 77 -14.716 11.095 1.497 624 3HG2 THR 77 HG23 THR 77 -13.704 10.004 0.559 625 H THR 78 HN THR 78 -16.928 14.754 -0.594 626 HA THR 78 HA THR 78 -17.953 14.187 2.113 627 HB THR 78 HB THR 78 -18.299 16.623 2.287 628 HG1 THR 78 HG1 THR 78 -18.450 16.809 -0.136 629 1HG2 THR 78 HG22 THR 78 -16.085 15.629 2.910 630 2HG2 THR 78 HG21 THR 78 -15.491 16.141 1.330 631 3HG2 THR 78 HG23 THR 78 -16.058 17.343 2.489 No H/Q in entry = 631 Start of MODEL 21 1 1H MET 1 HT2 MET 1 -24.134 -8.808 7.435 2 2H MET 1 HT1 MET 1 -25.491 -8.012 6.742 3 3H MET 1 HT3 MET 1 -23.918 -7.331 6.581 4 HA MET 1 HA MET 1 -24.560 -6.085 8.241 5 1HB MET 1 HB2 MET 1 -26.372 -6.659 9.782 6 2HB MET 1 HB3 MET 1 -26.866 -6.959 8.124 7 1HG MET 1 HG2 MET 1 -27.545 -8.953 8.816 8 2HG MET 1 HG3 MET 1 -25.845 -9.396 8.934 9 1HE MET 1 HE3 MET 1 -28.218 -10.605 10.134 10 2HE MET 1 HE1 MET 1 -27.505 -11.143 11.655 11 3HE MET 1 HE2 MET 1 -28.841 -9.995 11.667 12 H ARG 2 HN ARG 2 -24.575 -6.340 10.855 13 HA ARG 2 HA ARG 2 -23.469 -6.965 12.744 14 1HB ARG 2 HB2 ARG 2 -23.683 -9.390 11.562 15 2HB ARG 2 HB3 ARG 2 -21.936 -9.219 11.573 16 1HG ARG 2 HG2 ARG 2 -23.286 -8.596 14.120 17 2HG ARG 2 HG3 ARG 2 -23.380 -10.275 13.588 18 1HD ARG 2 HD2 ARG 2 -21.083 -10.570 13.659 19 2HD ARG 2 HD3 ARG 2 -20.755 -8.836 13.574 20 HE ARG 2 HE ARG 2 -22.160 -9.431 15.959 21 1HH1 ARG 2 HH12 ARG 2 -19.002 -9.856 14.498 22 2HH1 ARG 2 HH11 ARG 2 -18.168 -9.887 16.023 23 1HH2 ARG 2 HH22 ARG 2 -21.046 -9.469 17.962 24 2HH2 ARG 2 HH21 ARG 2 -19.312 -9.671 17.977 25 H SER 3 HN SER 3 -21.341 -7.727 10.049 26 HA SER 3 HA SER 3 -19.358 -5.784 11.073 27 1HB SER 3 HB2 SER 3 -18.998 -8.402 9.606 28 2HB SER 3 HB3 SER 3 -17.758 -7.148 9.520 29 HG SER 3 HG SER 3 -17.081 -7.990 11.315 30 H SER 4 HN SER 4 -20.369 -4.029 10.004 31 HA SER 4 HA SER 4 -20.971 -4.071 7.198 32 1HB SER 4 HB2 SER 4 -20.530 -1.522 8.739 33 2HB SER 4 HB3 SER 4 -21.683 -1.860 7.454 34 HG SER 4 HG SER 4 -21.767 -2.816 10.137 35 H ALA 5 HN ALA 5 -19.312 -4.444 5.848 36 HA ALA 5 HA ALA 5 -16.651 -3.474 6.376 37 1HB ALA 5 HB3 ALA 5 -17.018 -5.692 5.429 38 2HB ALA 5 HB1 ALA 5 -17.728 -4.969 3.985 39 3HB ALA 5 HB2 ALA 5 -16.025 -4.696 4.362 40 H LYS 6 HN LYS 6 -16.147 -1.428 6.002 41 HA LYS 6 HA LYS 6 -17.230 0.043 3.692 42 1HB LYS 6 HB2 LYS 6 -15.398 0.943 5.946 43 2HB LYS 6 HB3 LYS 6 -15.998 1.975 4.661 44 1HG LYS 6 HG2 LYS 6 -17.485 2.526 6.279 45 2HG LYS 6 HG3 LYS 6 -18.342 1.157 5.575 46 1HD LYS 6 HD2 LYS 6 -18.441 0.817 7.902 47 2HD LYS 6 HD3 LYS 6 -17.200 -0.286 7.320 48 1HE LYS 6 HE2 LYS 6 -16.483 0.789 9.368 49 2HE LYS 6 HE3 LYS 6 -15.457 1.276 8.026 50 1HZ LYS 6 HZ2 LYS 6 -17.757 2.972 8.694 51 2HZ LYS 6 HZ1 LYS 6 -16.400 3.012 9.724 52 3HZ LYS 6 HZ3 LYS 6 -16.227 3.401 8.075 53 H GLN 7 HN GLN 7 -16.107 -0.352 1.808 54 HA GLN 7 HA GLN 7 -13.518 -1.532 1.887 55 1HB GLN 7 HB2 GLN 7 -15.394 -1.740 0.061 56 2HB GLN 7 HB3 GLN 7 -14.545 -0.378 -0.663 57 1HG GLN 7 HG2 GLN 7 -13.472 -2.159 -1.652 58 2HG GLN 7 HG3 GLN 7 -12.426 -1.819 -0.270 59 1HE2 GLN 7 HE22 GLN 7 -12.876 -5.456 -0.367 60 2HE2 GLN 7 HE21 GLN 7 -12.205 -4.239 -1.400 61 H GLU 8 HN GLU 8 -14.422 1.739 2.049 62 HA GLU 8 HA GLU 8 -12.120 2.892 0.781 63 1HB GLU 8 HB2 GLU 8 -12.782 4.838 2.447 64 2HB GLU 8 HB3 GLU 8 -13.752 4.488 1.028 65 1HG GLU 8 HG2 GLU 8 -14.445 3.138 3.596 66 2HG GLU 8 HG3 GLU 8 -14.834 4.845 3.405 67 H GLU 9 HN GLU 9 -12.253 0.847 3.274 68 HA GLU 9 HA GLU 9 -10.232 2.110 5.005 69 1HB GLU 9 HB2 GLU 9 -11.987 -0.315 5.326 70 2HB GLU 9 HB3 GLU 9 -10.539 -0.128 6.303 71 1HG GLU 9 HG2 GLU 9 -11.420 2.091 7.039 72 2HG GLU 9 HG3 GLU 9 -12.928 1.702 6.210 73 H LEU 10 HN LEU 10 -10.723 -0.486 2.699 74 HA LEU 10 HA LEU 10 -8.212 -1.798 2.986 75 1HB LEU 10 HB2 LEU 10 -9.801 -3.025 1.781 76 2HB LEU 10 HB3 LEU 10 -10.295 -1.644 0.826 77 HG LEU 10 HG LEU 10 -8.205 -1.775 -0.467 78 1HD1 LEU 10 HD11 LEU 10 -7.466 -3.610 1.665 79 2HD1 LEU 10 HD12 LEU 10 -7.161 -4.268 0.060 80 3HD1 LEU 10 HD13 LEU 10 -6.447 -2.724 0.528 81 1HD2 LEU 10 HD23 LEU 10 -10.238 -3.876 -0.368 82 2HD2 LEU 10 HD21 LEU 10 -9.614 -2.962 -1.741 83 3HD2 LEU 10 HD22 LEU 10 -8.743 -4.372 -1.152 84 H VAL 11 HN VAL 11 -9.381 1.000 1.231 85 HA VAL 11 HA VAL 11 -6.932 1.476 -0.210 86 HB VAL 11 HB VAL 11 -9.193 3.430 0.341 87 1HG1 VAL 11 HG12 VAL 11 -6.736 3.541 -1.297 88 2HG1 VAL 11 HG13 VAL 11 -8.210 4.114 -2.082 89 3HG1 VAL 11 HG11 VAL 11 -7.679 4.842 -0.568 90 1HG2 VAL 11 HG21 VAL 11 -9.028 1.123 -1.462 91 2HG2 VAL 11 HG22 VAL 11 -10.434 1.983 -0.837 92 3HG2 VAL 11 HG23 VAL 11 -9.555 2.622 -2.227 93 H LYS 12 HN LYS 12 -8.536 3.175 2.543 94 HA LYS 12 HA LYS 12 -6.469 4.954 3.063 95 1HB LYS 12 HB2 LYS 12 -8.362 5.637 4.084 96 2HB LYS 12 HB3 LYS 12 -8.851 4.010 4.518 97 1HG LYS 12 HG2 LYS 12 -6.565 5.336 5.911 98 2HG LYS 12 HG3 LYS 12 -8.235 5.663 6.369 99 1HD LYS 12 HD2 LYS 12 -7.878 2.852 6.039 100 2HD LYS 12 HD3 LYS 12 -6.617 3.455 7.096 101 1HE LYS 12 HE2 LYS 12 -9.591 3.549 7.492 102 2HE LYS 12 HE3 LYS 12 -8.361 2.887 8.562 103 1HZ LYS 12 HZ3 LYS 12 -7.616 5.443 8.470 104 2HZ LYS 12 HZ2 LYS 12 -9.306 5.608 8.303 105 3HZ LYS 12 HZ1 LYS 12 -8.657 4.795 9.653 106 H ALA 13 HN ALA 13 -6.848 1.630 4.106 107 HA ALA 13 HA ALA 13 -4.653 1.610 5.942 108 1HB ALA 13 HB2 ALA 13 -5.966 -0.663 4.447 109 2HB ALA 13 HB3 ALA 13 -4.783 -0.844 5.742 110 3HB ALA 13 HB1 ALA 13 -6.346 -0.113 6.076 111 H PHE 14 HN PHE 14 -5.028 0.645 2.534 112 HA PHE 14 HA PHE 14 -2.501 -0.281 1.914 113 1HB PHE 14 HB2 PHE 14 -4.566 -0.182 0.420 114 2HB PHE 14 HB3 PHE 14 -4.146 1.458 0.075 115 HD1 PHE 14 HD1 PHE 14 -3.192 -2.029 -0.433 116 HD2 PHE 14 HD2 PHE 14 -2.280 2.029 -1.351 117 HE1 PHE 14 HE1 PHE 14 -1.707 -2.768 -2.243 118 HE2 PHE 14 HE2 PHE 14 -0.797 1.283 -3.170 119 HZ PHE 14 HZ PHE 14 -0.516 -1.119 -3.608 120 H LYS 15 HN LYS 15 -3.626 3.058 1.382 121 HA LYS 15 HA LYS 15 -1.223 4.273 0.744 122 1HB LYS 15 HB2 LYS 15 -3.276 5.680 2.453 123 2HB LYS 15 HB3 LYS 15 -2.262 6.356 1.189 124 1HG LYS 15 HG2 LYS 15 -4.281 4.288 0.470 125 2HG LYS 15 HG3 LYS 15 -4.819 5.919 0.807 126 1HD LYS 15 HD2 LYS 15 -2.549 6.012 -0.935 127 2HD LYS 15 HD3 LYS 15 -3.692 4.832 -1.560 128 1HE LYS 15 HE2 LYS 15 -3.918 7.277 -2.357 129 2HE LYS 15 HE3 LYS 15 -5.375 6.416 -1.857 130 1HZ LYS 15 HZ1 LYS 15 -3.960 8.015 0.166 131 2HZ LYS 15 HZ3 LYS 15 -4.878 8.831 -1.012 132 3HZ LYS 15 HZ2 LYS 15 -5.621 7.682 0.005 133 H ALA 16 HN ALA 16 -2.605 3.831 3.994 134 HA ALA 16 HA ALA 16 -0.637 5.199 5.463 135 1HB ALA 16 HB1 ALA 16 -2.821 4.593 6.382 136 2HB ALA 16 HB2 ALA 16 -2.362 2.891 6.366 137 3HB ALA 16 HB3 ALA 16 -1.507 4.024 7.411 138 H LEU 17 HN LEU 17 -0.921 1.715 4.734 139 HA LEU 17 HA LEU 17 1.299 0.724 6.073 140 1HB LEU 17 HB2 LEU 17 0.077 -0.129 3.440 141 2HB LEU 17 HB3 LEU 17 1.330 -1.043 4.241 142 HG LEU 17 HG LEU 17 -1.529 -0.703 4.986 143 1HD1 LEU 17 HD12 LEU 17 0.363 -3.037 4.918 144 2HD1 LEU 17 HD13 LEU 17 -1.327 -3.125 5.413 145 3HD1 LEU 17 HD11 LEU 17 -0.915 -2.670 3.759 146 1HD2 LEU 17 HD23 LEU 17 0.691 -1.246 6.940 147 2HD2 LEU 17 HD21 LEU 17 -0.566 -0.010 7.032 148 3HD2 LEU 17 HD22 LEU 17 -0.982 -1.711 7.227 149 H LEU 18 HN LEU 18 1.135 2.036 2.786 150 HA LEU 18 HA LEU 18 3.853 1.647 2.100 151 1HB LEU 18 HB2 LEU 18 1.841 3.668 1.096 152 2HB LEU 18 HB3 LEU 18 3.411 3.395 0.367 153 HG LEU 18 HG LEU 18 1.197 1.354 0.558 154 1HD1 LEU 18 HD12 LEU 18 0.783 3.288 -0.952 155 2HD1 LEU 18 HD13 LEU 18 2.244 2.844 -1.838 156 3HD1 LEU 18 HD11 LEU 18 0.879 1.729 -1.779 157 1HD2 LEU 18 HD21 LEU 18 4.021 1.121 0.011 158 2HD2 LEU 18 HD22 LEU 18 2.809 -0.142 0.204 159 3HD2 LEU 18 HD23 LEU 18 3.060 0.606 -1.375 160 H LYS 19 HN LYS 19 2.146 4.583 3.153 161 HA LYS 19 HA LYS 19 4.343 6.286 3.202 162 1HB LYS 19 HB2 LYS 19 1.749 6.406 4.744 163 2HB LYS 19 HB3 LYS 19 2.901 7.734 4.645 164 1HG LYS 19 HG2 LYS 19 2.607 7.914 2.272 165 2HG LYS 19 HG3 LYS 19 1.628 6.443 2.223 166 1HD LYS 19 HD2 LYS 19 -0.138 7.821 2.323 167 2HD LYS 19 HD3 LYS 19 0.246 7.963 4.037 168 1HE LYS 19 HE2 LYS 19 1.333 9.801 1.903 169 2HE LYS 19 HE3 LYS 19 -0.104 10.142 2.867 170 1HZ LYS 19 HZ1 LYS 19 1.349 9.882 4.872 171 2HZ LYS 19 HZ3 LYS 19 2.696 9.866 3.823 172 3HZ LYS 19 HZ2 LYS 19 1.692 11.244 3.905 173 H GLU 20 HN GLU 20 3.527 3.830 5.493 174 HA GLU 20 HA GLU 20 4.978 4.939 7.728 175 1HB GLU 20 HB2 GLU 20 3.776 2.241 7.134 176 2HB GLU 20 HB3 GLU 20 4.830 2.463 8.524 177 1HG GLU 20 HG2 GLU 20 3.347 4.054 9.498 178 2HG GLU 20 HG3 GLU 20 2.365 4.117 8.037 179 H GLU 21 HN GLU 21 5.844 3.249 4.854 180 HA GLU 21 HA GLU 21 7.779 2.483 3.973 181 1HB GLU 21 HB2 GLU 21 8.994 4.224 6.130 182 2HB GLU 21 HB3 GLU 21 9.917 3.461 4.845 183 1HG GLU 21 HG2 GLU 21 8.746 4.719 3.172 184 2HG GLU 21 HG3 GLU 21 7.660 5.401 4.376 185 H LYS 22 HN LYS 22 7.041 0.358 4.791 186 HA LYS 22 HA LYS 22 9.137 -0.851 6.447 187 1HB LYS 22 HB2 LYS 22 7.452 -2.191 7.680 188 2HB LYS 22 HB3 LYS 22 7.380 -0.472 8.025 189 1HG LYS 22 HG2 LYS 22 5.550 -0.691 6.019 190 2HG LYS 22 HG3 LYS 22 5.379 -2.240 6.839 191 1HD LYS 22 HD2 LYS 22 5.433 0.290 8.442 192 2HD LYS 22 HD3 LYS 22 3.959 -0.182 7.599 193 1HE LYS 22 HE2 LYS 22 4.007 -0.959 9.943 194 2HE LYS 22 HE3 LYS 22 3.881 -2.278 8.781 195 1HZ LYS 22 HZ2 LYS 22 6.523 -1.467 9.844 196 2HZ LYS 22 HZ1 LYS 22 5.510 -2.500 10.736 197 3HZ LYS 22 HZ3 LYS 22 6.041 -2.968 9.188 198 H PHE 23 HN PHE 23 6.530 -1.314 4.120 199 HA PHE 23 HA PHE 23 7.267 -4.079 3.610 200 1HB PHE 23 HB2 PHE 23 5.247 -2.359 2.162 201 2HB PHE 23 HB3 PHE 23 5.347 -4.118 2.142 202 HD1 PHE 23 HD1 PHE 23 5.013 -5.366 4.340 203 HD2 PHE 23 HD2 PHE 23 4.021 -1.252 3.845 204 HE1 PHE 23 HE1 PHE 23 3.603 -5.464 6.354 205 HE2 PHE 23 HE2 PHE 23 2.627 -1.348 5.863 206 HZ PHE 23 HZ PHE 23 2.404 -3.457 7.115 207 H SER 24 HN SER 24 8.578 -4.758 2.057 208 HA SER 24 HA SER 24 9.724 -2.808 0.206 209 1HB SER 24 HB2 SER 24 11.159 -5.180 -0.112 210 2HB SER 24 HB3 SER 24 11.623 -3.797 0.870 211 HG SER 24 HG SER 24 9.959 -5.864 1.874 212 H SER 25 HN SER 25 7.680 -5.616 0.127 213 HA SER 25 HA SER 25 7.694 -5.485 -2.828 214 1HB SER 25 HB2 SER 25 7.123 -8.041 -2.634 215 2HB SER 25 HB3 SER 25 8.798 -7.509 -2.506 216 HG SER 25 HG SER 25 8.234 -7.442 -0.106 217 H GLN 26 HN GLN 26 5.721 -6.438 -3.827 218 HA GLN 26 HA GLN 26 3.348 -5.233 -2.830 219 1HB GLN 26 HB2 GLN 26 3.545 -7.470 -4.848 220 2HB GLN 26 HB3 GLN 26 2.245 -6.337 -4.661 221 1HG GLN 26 HG2 GLN 26 3.171 -5.030 -6.178 222 2HG GLN 26 HG3 GLN 26 4.527 -4.771 -5.088 223 1HE2 GLN 26 HE22 GLN 26 5.605 -6.125 -8.440 224 2HE2 GLN 26 HE21 GLN 26 4.521 -4.856 -7.985 225 H GLY 27 HN GLY 27 4.193 -8.691 -3.165 226 1HA GLY 27 HA1 GLY 27 2.106 -9.874 -1.812 227 2HA GLY 27 HA2 GLY 27 3.731 -10.522 -1.844 228 H GLU 28 HN GLU 28 4.725 -8.081 -0.382 229 HA GLU 28 HA GLU 28 4.534 -9.064 2.275 230 1HB GLU 28 HB2 GLU 28 6.263 -7.461 0.880 231 2HB GLU 28 HB3 GLU 28 5.427 -6.275 1.849 232 1HG GLU 28 HG2 GLU 28 6.120 -7.334 3.877 233 2HG GLU 28 HG3 GLU 28 6.739 -8.729 2.993 234 H ILE 29 HN ILE 29 3.218 -6.161 0.638 235 HA ILE 29 HA ILE 29 1.655 -5.391 2.930 236 HB ILE 29 HB ILE 29 1.937 -3.430 1.980 237 1HG1 ILE 29 HG12 ILE 29 -0.038 -4.273 -0.142 238 2HG1 ILE 29 HG13 ILE 29 -0.462 -3.687 1.470 239 1HG2 ILE 29 HG21 ILE 29 3.650 -4.255 0.486 240 2HG2 ILE 29 HG22 ILE 29 2.426 -4.713 -0.695 241 3HG2 ILE 29 HG23 ILE 29 2.684 -3.017 -0.308 242 1HD1 ILE 29 HD12 ILE 29 1.191 -1.712 0.564 243 2HD1 ILE 29 HD13 ILE 29 0.363 -2.211 -0.914 244 3HD1 ILE 29 HD11 ILE 29 -0.570 -1.686 0.490 245 H VAL 30 HN VAL 30 1.186 -7.516 0.271 246 HA VAL 30 HA VAL 30 -1.655 -7.579 0.123 247 HB VAL 30 HB VAL 30 0.389 -9.758 -0.412 248 1HG1 VAL 30 HG12 VAL 30 -2.586 -9.780 -0.682 249 2HG1 VAL 30 HG13 VAL 30 -1.580 -10.752 -1.756 250 3HG1 VAL 30 HG11 VAL 30 -1.518 -11.013 -0.013 251 1HG2 VAL 30 HG22 VAL 30 0.270 -7.663 -1.890 252 2HG2 VAL 30 HG23 VAL 30 0.242 -9.238 -2.672 253 3HG2 VAL 30 HG21 VAL 30 -1.249 -8.333 -2.464 254 H ALA 31 HN ALA 31 0.677 -9.615 1.888 255 HA ALA 31 HA ALA 31 -1.214 -11.050 3.428 256 1HB ALA 31 HB2 ALA 31 1.148 -11.758 2.993 257 2HB ALA 31 HB3 ALA 31 1.670 -10.546 4.163 258 3HB ALA 31 HB1 ALA 31 0.643 -11.886 4.677 259 H ALA 32 HN ALA 32 0.459 -7.982 3.938 260 HA ALA 32 HA ALA 32 -0.071 -7.620 6.672 261 1HB ALA 32 HB1 ALA 32 1.495 -6.247 5.295 262 2HB ALA 32 HB2 ALA 32 0.092 -5.419 4.618 263 3HB ALA 32 HB3 ALA 32 0.433 -5.308 6.345 264 H LEU 33 HN LEU 33 -2.003 -6.516 3.844 265 HA LEU 33 HA LEU 33 -4.077 -5.424 5.479 266 1HB LEU 33 HB2 LEU 33 -4.068 -6.106 2.539 267 2HB LEU 33 HB3 LEU 33 -5.411 -5.317 3.363 268 HG LEU 33 HG LEU 33 -2.622 -4.147 3.294 269 1HD1 LEU 33 HD11 LEU 33 -4.758 -4.089 1.259 270 2HD1 LEU 33 HD12 LEU 33 -4.031 -2.527 1.663 271 3HD1 LEU 33 HD13 LEU 33 -3.017 -3.859 1.092 272 1HD2 LEU 33 HD22 LEU 33 -5.323 -3.012 3.985 273 2HD2 LEU 33 HD23 LEU 33 -3.978 -3.297 5.091 274 3HD2 LEU 33 HD21 LEU 33 -3.844 -2.068 3.837 275 H GLN 34 HN GLN 34 -3.471 -8.631 4.155 276 HA GLN 34 HA GLN 34 -6.061 -9.711 4.516 277 1HB GLN 34 HB2 GLN 34 -3.316 -10.941 4.419 278 2HB GLN 34 HB3 GLN 34 -4.710 -11.926 4.839 279 1HG GLN 34 HG2 GLN 34 -5.770 -11.348 2.713 280 2HG GLN 34 HG3 GLN 34 -4.371 -10.361 2.285 281 1HE2 GLN 34 HE22 GLN 34 -3.241 -13.198 0.575 282 2HE2 GLN 34 HE21 GLN 34 -3.905 -11.603 0.459 283 H GLU 35 HN GLU 35 -3.294 -9.425 6.723 284 HA GLU 35 HA GLU 35 -4.534 -10.741 8.942 285 1HB GLU 35 HB2 GLU 35 -2.191 -8.816 8.867 286 2HB GLU 35 HB3 GLU 35 -2.668 -9.773 10.263 287 1HG GLU 35 HG2 GLU 35 -2.132 -11.815 9.143 288 2HG GLU 35 HG3 GLU 35 -1.843 -10.966 7.628 289 H GLN 36 HN GLN 36 -4.403 -7.424 7.804 290 HA GLN 36 HA GLN 36 -5.234 -6.039 10.092 291 1HB GLN 36 HB2 GLN 36 -5.494 -5.487 7.149 292 2HB GLN 36 HB3 GLN 36 -6.172 -4.390 8.331 293 1HG GLN 36 HG2 GLN 36 -3.418 -5.092 8.946 294 2HG GLN 36 HG3 GLN 36 -3.578 -4.385 7.341 295 1HE2 GLN 36 HE22 GLN 36 -3.951 -1.145 8.511 296 2HE2 GLN 36 HE21 GLN 36 -3.736 -2.231 7.185 297 H GLY 37 HN GLY 37 -7.287 -6.961 7.309 298 1HA GLY 37 HA1 GLY 37 -9.353 -8.166 8.670 299 2HA GLY 37 HA2 GLY 37 -9.700 -6.443 8.775 300 H PHE 38 HN PHE 38 -8.093 -7.777 5.966 301 HA PHE 38 HA PHE 38 -10.596 -7.405 4.417 302 1HB PHE 38 HB2 PHE 38 -7.770 -6.928 3.432 303 2HB PHE 38 HB3 PHE 38 -9.272 -6.560 2.585 304 HD1 PHE 38 HD2 PHE 38 -10.800 -4.798 3.527 305 HD2 PHE 38 HD1 PHE 38 -6.864 -5.404 5.019 306 HE1 PHE 38 HE2 PHE 38 -10.850 -2.583 4.592 307 HE2 PHE 38 HE1 PHE 38 -6.908 -3.205 6.079 308 HZ PHE 38 HZ PHE 38 -8.892 -1.791 5.863 309 H ASP 39 HN ASP 39 -11.062 -8.847 2.781 310 HA ASP 39 HA ASP 39 -9.394 -11.226 2.479 311 1HB ASP 39 HB2 ASP 39 -11.229 -11.630 4.197 312 2HB ASP 39 HB3 ASP 39 -12.394 -11.369 2.908 313 H ASN 40 HN ASN 40 -9.167 -11.703 0.502 314 HA ASN 40 HA ASN 40 -9.769 -12.155 -1.755 315 1HB ASN 40 HB2 ASN 40 -12.162 -11.329 -1.344 316 2HB ASN 40 HB3 ASN 40 -11.559 -9.716 -1.723 317 1HD2 ASN 40 HD22 ASN 40 -12.394 -10.284 -5.029 318 2HD2 ASN 40 HD21 ASN 40 -12.562 -9.325 -3.596 319 H ILE 41 HN ILE 41 -7.893 -10.497 -0.197 320 HA ILE 41 HA ILE 41 -7.072 -8.481 -2.168 321 HB ILE 41 HB ILE 41 -6.554 -8.820 0.765 322 1HG1 ILE 41 HG12 ILE 41 -7.224 -6.549 0.898 323 2HG1 ILE 41 HG13 ILE 41 -6.942 -6.288 -0.819 324 1HG2 ILE 41 HG23 ILE 41 -4.648 -7.573 -1.181 325 2HG2 ILE 41 HG21 ILE 41 -4.795 -6.955 0.462 326 3HG2 ILE 41 HG22 ILE 41 -4.314 -8.628 0.194 327 1HD1 ILE 41 HD12 ILE 41 -9.087 -8.098 0.222 328 2HD1 ILE 41 HD13 ILE 41 -9.336 -6.390 -0.131 329 3HD1 ILE 41 HD11 ILE 41 -8.874 -7.496 -1.425 330 H ASN 42 HN ASN 42 -5.645 -9.120 -3.580 331 HA ASN 42 HA ASN 42 -3.646 -11.176 -2.849 332 1HB ASN 42 HB2 ASN 42 -3.932 -12.099 -5.192 333 2HB ASN 42 HB3 ASN 42 -5.291 -12.354 -4.113 334 1HD2 ASN 42 HD22 ASN 42 -7.570 -10.782 -6.185 335 2HD2 ASN 42 HD21 ASN 42 -7.240 -11.805 -4.828 336 H GLN 43 HN GLN 43 -2.142 -11.388 -4.996 337 HA GLN 43 HA GLN 43 -0.392 -9.232 -4.915 338 1HB GLN 43 HB2 GLN 43 0.395 -11.387 -5.596 339 2HB GLN 43 HB3 GLN 43 -0.731 -11.452 -6.939 340 1HG GLN 43 HG2 GLN 43 1.503 -11.070 -7.733 341 2HG GLN 43 HG3 GLN 43 0.500 -9.669 -8.074 342 1HE2 GLN 43 HE22 GLN 43 3.484 -9.406 -5.277 343 2HE2 GLN 43 HE21 GLN 43 2.751 -10.931 -5.643 344 H SER 44 HN SER 44 -2.726 -10.044 -7.512 345 HA SER 44 HA SER 44 -2.192 -7.937 -9.220 346 1HB SER 44 HB2 SER 44 -4.981 -8.886 -8.921 347 2HB SER 44 HB3 SER 44 -4.071 -8.550 -10.372 348 HG SER 44 HG SER 44 -2.990 -10.472 -10.166 349 H LYS 45 HN LYS 45 -4.511 -8.076 -6.564 350 HA LYS 45 HA LYS 45 -5.711 -5.558 -6.761 351 1HB LYS 45 HB2 LYS 45 -6.492 -7.318 -5.249 352 2HB LYS 45 HB3 LYS 45 -5.012 -7.229 -4.317 353 1HG LYS 45 HG2 LYS 45 -6.860 -4.875 -4.506 354 2HG LYS 45 HG3 LYS 45 -7.136 -6.186 -3.366 355 1HD LYS 45 HD2 LYS 45 -5.485 -5.515 -1.991 356 2HD LYS 45 HD3 LYS 45 -4.393 -5.157 -3.305 357 1HE LYS 45 HE2 LYS 45 -5.286 -3.223 -1.807 358 2HE LYS 45 HE3 LYS 45 -5.151 -2.998 -3.549 359 1HZ LYS 45 HZ1 LYS 45 -7.696 -4.074 -2.998 360 2HZ LYS 45 HZ3 LYS 45 -7.441 -2.759 -1.961 361 3HZ LYS 45 HZ2 LYS 45 -7.309 -2.548 -3.639 362 H VAL 46 HN VAL 46 -2.715 -6.515 -5.158 363 HA VAL 46 HA VAL 46 -2.146 -3.930 -4.065 364 HB VAL 46 HB VAL 46 -0.684 -6.551 -4.115 365 1HG1 VAL 46 HG12 VAL 46 1.054 -4.833 -4.213 366 2HG1 VAL 46 HG13 VAL 46 0.305 -4.002 -2.851 367 3HG1 VAL 46 HG11 VAL 46 0.999 -5.599 -2.634 368 1HG2 VAL 46 HG22 VAL 46 -2.206 -4.918 -2.118 369 2HG2 VAL 46 HG23 VAL 46 -2.385 -6.618 -2.532 370 3HG2 VAL 46 HG21 VAL 46 -1.005 -6.083 -1.575 371 H SER 47 HN SER 47 -0.782 -5.817 -6.791 372 HA SER 47 HA SER 47 1.181 -3.891 -7.472 373 1HB SER 47 HB2 SER 47 0.994 -5.098 -9.788 374 2HB SER 47 HB3 SER 47 1.602 -5.979 -8.389 375 HG SER 47 HG SER 47 -0.274 -7.073 -8.224 376 H ARG 48 HN ARG 48 -2.219 -4.241 -8.309 377 HA ARG 48 HA ARG 48 -2.245 -2.275 -10.378 378 1HB ARG 48 HB2 ARG 48 -4.380 -3.623 -8.752 379 2HB ARG 48 HB3 ARG 48 -4.786 -2.219 -9.729 380 1HG ARG 48 HG2 ARG 48 -3.693 -3.454 -11.675 381 2HG ARG 48 HG3 ARG 48 -3.765 -4.885 -10.649 382 1HD ARG 48 HD2 ARG 48 -6.300 -3.407 -10.784 383 2HD ARG 48 HD3 ARG 48 -5.753 -4.009 -12.344 384 HE ARG 48 HE ARG 48 -5.961 -6.208 -11.583 385 1HH1 ARG 48 HH12 ARG 48 -6.914 -3.908 -9.102 386 2HH1 ARG 48 HH11 ARG 48 -7.746 -5.103 -8.145 387 1HH2 ARG 48 HH22 ARG 48 -7.055 -7.765 -10.328 388 2HH2 ARG 48 HH21 ARG 48 -7.829 -7.286 -8.842 389 H MET 49 HN MET 49 -3.179 -2.143 -6.922 390 HA MET 49 HA MET 49 -3.780 0.606 -6.906 391 1HB MET 49 HB2 MET 49 -3.167 -1.401 -4.773 392 2HB MET 49 HB3 MET 49 -3.173 0.303 -4.347 393 1HG MET 49 HG2 MET 49 -5.486 0.371 -5.471 394 2HG MET 49 HG3 MET 49 -5.435 -1.382 -5.332 395 1HE MET 49 HE2 MET 49 -7.404 0.655 -4.454 396 2HE MET 49 HE3 MET 49 -8.003 -0.163 -3.012 397 3HE MET 49 HE1 MET 49 -7.215 1.412 -2.875 398 H LEU 50 HN LEU 50 -0.681 -1.066 -6.488 399 HA LEU 50 HA LEU 50 0.793 1.132 -5.502 400 1HB LEU 50 HB2 LEU 50 1.502 -1.438 -6.831 401 2HB LEU 50 HB3 LEU 50 2.736 -0.194 -6.778 402 HG LEU 50 HG LEU 50 1.328 -0.870 -4.248 403 1HD1 LEU 50 HD11 LEU 50 1.862 -3.061 -5.206 404 2HD1 LEU 50 HD12 LEU 50 3.539 -2.555 -5.400 405 3HD1 LEU 50 HD13 LEU 50 2.843 -2.711 -3.785 406 1HD2 LEU 50 HD23 LEU 50 4.008 0.162 -5.030 407 2HD2 LEU 50 HD21 LEU 50 2.814 0.842 -3.921 408 3HD2 LEU 50 HD22 LEU 50 3.753 -0.572 -3.449 409 H THR 51 HN THR 51 0.362 -0.038 -8.847 410 HA THR 51 HA THR 51 1.829 2.081 -10.067 411 HB THR 51 HB THR 51 -0.360 0.553 -11.472 412 HG1 THR 51 HG1 THR 51 0.661 -1.129 -10.538 413 1HG2 THR 51 HG22 THR 51 0.943 2.255 -12.718 414 2HG2 THR 51 HG21 THR 51 2.398 1.310 -12.407 415 3HG2 THR 51 HG23 THR 51 1.088 0.625 -13.370 416 H LYS 52 HN LYS 52 -1.603 1.557 -9.384 417 HA LYS 52 HA LYS 52 -2.703 3.756 -10.713 418 1HB LYS 52 HB2 LYS 52 -3.927 1.790 -9.728 419 2HB LYS 52 HB3 LYS 52 -3.704 2.509 -8.139 420 1HG LYS 52 HG2 LYS 52 -4.866 4.571 -9.450 421 2HG LYS 52 HG3 LYS 52 -5.576 3.203 -10.307 422 1HD LYS 52 HD2 LYS 52 -7.054 3.050 -8.640 423 2HD LYS 52 HD3 LYS 52 -5.736 2.477 -7.624 424 1HE LYS 52 HE2 LYS 52 -6.817 4.283 -6.490 425 2HE LYS 52 HE3 LYS 52 -5.240 4.848 -7.035 426 1HZ LYS 52 HZ1 LYS 52 -7.515 5.306 -8.816 427 2HZ LYS 52 HZ3 LYS 52 -7.454 6.226 -7.384 428 3HZ LYS 52 HZ2 LYS 52 -6.165 6.298 -8.495 429 H PHE 53 HN PHE 53 -1.675 3.492 -7.300 430 HA PHE 53 HA PHE 53 -2.261 6.260 -6.754 431 1HB PHE 53 HB2 PHE 53 -0.955 4.066 -5.138 432 2HB PHE 53 HB3 PHE 53 -1.111 5.709 -4.532 433 HD1 PHE 53 HD2 PHE 53 -3.689 6.615 -5.152 434 HD2 PHE 53 HD1 PHE 53 -2.498 2.648 -4.164 435 HE1 PHE 53 HE2 PHE 53 -5.966 6.122 -4.375 436 HE2 PHE 53 HE1 PHE 53 -4.770 2.159 -3.384 437 HZ PHE 53 HZ PHE 53 -6.512 3.896 -3.497 438 H GLY 54 HN GLY 54 0.522 4.539 -7.902 439 1HA GLY 54 HA1 GLY 54 2.482 5.427 -8.770 440 2HA GLY 54 HA2 GLY 54 1.968 7.019 -8.234 441 H ALA 55 HN ALA 55 2.804 3.918 -6.668 442 HA ALA 55 HA ALA 55 4.001 5.236 -4.408 443 1HB ALA 55 HB1 ALA 55 2.793 3.042 -4.322 444 2HB ALA 55 HB2 ALA 55 4.187 2.317 -5.124 445 3HB ALA 55 HB3 ALA 55 4.370 3.053 -3.532 446 H VAL 56 HN VAL 56 6.191 5.055 -3.732 447 HA VAL 56 HA VAL 56 8.173 4.514 -5.859 448 HB VAL 56 HB VAL 56 9.503 6.410 -5.155 449 1HG1 VAL 56 HG11 VAL 56 7.557 6.650 -6.798 450 2HG1 VAL 56 HG12 VAL 56 6.733 7.502 -5.489 451 3HG1 VAL 56 HG13 VAL 56 8.255 8.125 -6.124 452 1HG2 VAL 56 HG22 VAL 56 7.425 6.704 -3.016 453 2HG2 VAL 56 HG23 VAL 56 9.182 6.735 -2.877 454 3HG2 VAL 56 HG21 VAL 56 8.328 8.108 -3.576 455 H ARG 57 HN ARG 57 10.034 3.447 -5.215 456 HA ARG 57 HA ARG 57 10.035 2.382 -2.484 457 1HB ARG 57 HB2 ARG 57 11.767 1.667 -4.838 458 2HB ARG 57 HB3 ARG 57 11.822 0.876 -3.271 459 1HG ARG 57 HG2 ARG 57 9.366 0.356 -3.632 460 2HG ARG 57 HG3 ARG 57 9.609 0.837 -5.308 461 1HD ARG 57 HD2 ARG 57 10.431 -1.596 -3.875 462 2HD ARG 57 HD3 ARG 57 10.032 -1.361 -5.579 463 HE ARG 57 HE ARG 57 12.466 -0.127 -5.210 464 1HH1 ARG 57 HH12 ARG 57 11.179 -3.364 -4.845 465 2HH1 ARG 57 HH11 ARG 57 12.705 -4.142 -5.186 466 1HH2 ARG 57 HH22 ARG 57 14.427 -1.108 -5.653 467 2HH2 ARG 57 HH21 ARG 57 14.565 -2.846 -5.660 468 H THR 58 HN THR 58 11.212 3.227 -0.966 469 HA THR 58 HA THR 58 13.536 4.919 -1.631 470 HB THR 58 HB THR 58 12.256 5.919 0.735 471 HG1 THR 58 HG1 THR 58 10.334 4.955 -0.060 472 1HG2 THR 58 HG23 THR 58 13.391 6.987 -1.560 473 2HG2 THR 58 HG22 THR 58 11.720 7.546 -1.566 474 3HG2 THR 58 HG21 THR 58 12.750 7.862 -0.171 475 H ARG 59 HN ARG 59 15.085 5.228 0.064 476 HA ARG 59 HA ARG 59 15.553 2.838 1.640 477 1HB ARG 59 HB2 ARG 59 17.142 4.973 0.560 478 2HB ARG 59 HB3 ARG 59 17.405 4.928 2.293 479 1HG ARG 59 HG2 ARG 59 17.705 2.344 1.825 480 2HG ARG 59 HG3 ARG 59 18.098 2.931 0.211 481 1HD ARG 59 HD2 ARG 59 19.389 4.042 2.694 482 2HD ARG 59 HD3 ARG 59 20.029 2.642 1.845 483 HE ARG 59 HE ARG 59 20.442 4.034 -0.076 484 1HH1 ARG 59 HH12 ARG 59 19.605 5.805 2.850 485 2HH1 ARG 59 HH11 ARG 59 20.321 7.290 2.292 486 1HH2 ARG 59 HH22 ARG 59 21.376 5.978 -0.790 487 2HH2 ARG 59 HH21 ARG 59 21.312 7.394 0.223 488 H ASN 60 HN ASN 60 15.043 2.589 3.769 489 HA ASN 60 HA ASN 60 13.839 4.846 5.176 490 1HB ASN 60 HB2 ASN 60 12.865 3.290 6.677 491 2HB ASN 60 HB3 ASN 60 12.699 2.608 5.070 492 1HD2 ASN 60 HD22 ASN 60 13.621 -0.154 7.230 493 2HD2 ASN 60 HD21 ASN 60 12.291 0.920 6.979 494 H ALA 61 HN ALA 61 14.267 4.216 7.807 495 HA ALA 61 HA ALA 61 16.571 5.598 8.442 496 1HB ALA 61 HB2 ALA 61 15.051 3.624 10.147 497 2HB ALA 61 HB3 ALA 61 16.250 4.767 10.750 498 3HB ALA 61 HB1 ALA 61 14.763 5.358 10.017 499 H LYS 62 HN LYS 62 16.185 2.076 8.166 500 HA LYS 62 HA LYS 62 19.019 1.717 8.855 501 1HB LYS 62 HB2 LYS 62 16.754 -0.267 8.684 502 2HB LYS 62 HB3 LYS 62 18.435 -0.708 8.953 503 1HG LYS 62 HG2 LYS 62 18.494 0.426 11.047 504 2HG LYS 62 HG3 LYS 62 16.925 1.187 10.745 505 1HD LYS 62 HD2 LYS 62 16.448 -0.557 12.233 506 2HD LYS 62 HD3 LYS 62 15.987 -1.190 10.653 507 1HE LYS 62 HE2 LYS 62 18.502 -2.057 10.695 508 2HE LYS 62 HE3 LYS 62 18.242 -1.958 12.433 509 1HZ LYS 62 HZ3 LYS 62 16.010 -3.221 11.297 510 2HZ LYS 62 HZ2 LYS 62 17.406 -3.966 10.661 511 3HZ LYS 62 HZ1 LYS 62 17.179 -3.880 12.351 512 H MET 63 HN MET 63 18.217 2.755 6.242 513 HA MET 63 HA MET 63 18.896 2.588 4.094 514 1HB MET 63 HB2 MET 63 20.645 0.236 4.762 515 2HB MET 63 HB3 MET 63 20.945 1.555 3.653 516 1HG MET 63 HG2 MET 63 21.077 1.632 6.632 517 2HG MET 63 HG3 MET 63 22.400 1.804 5.488 518 1HE MET 63 HE2 MET 63 22.159 3.633 3.514 519 2HE MET 63 HE3 MET 63 22.034 5.309 4.051 520 3HE MET 63 HE1 MET 63 23.270 4.253 4.737 521 H GLU 64 HN GLU 64 16.691 0.660 5.101 522 HA GLU 64 HA GLU 64 16.882 -1.471 3.100 523 1HB GLU 64 HB2 GLU 64 14.698 -0.920 5.127 524 2HB GLU 64 HB3 GLU 64 14.800 -2.326 4.079 525 1HG GLU 64 HG2 GLU 64 17.167 -2.574 5.246 526 2HG GLU 64 HG3 GLU 64 16.367 -1.647 6.514 527 H MET 65 HN MET 65 15.980 -1.340 1.142 528 HA MET 65 HA MET 65 14.529 1.035 0.352 529 1HB MET 65 HB2 MET 65 15.325 -1.442 -1.197 530 2HB MET 65 HB3 MET 65 14.512 -0.053 -1.904 531 1HG MET 65 HG2 MET 65 16.571 1.223 -0.801 532 2HG MET 65 HG3 MET 65 17.316 -0.362 -1.004 533 1HE MET 65 HE3 MET 65 15.903 2.754 -2.452 534 2HE MET 65 HE1 MET 65 16.168 2.670 -4.196 535 3HE MET 65 HE2 MET 65 14.802 1.823 -3.474 536 H VAL 66 HN VAL 66 12.477 1.164 0.997 537 HA VAL 66 HA VAL 66 10.701 -1.145 0.527 538 HB VAL 66 HB VAL 66 9.351 -0.333 2.497 539 1HG1 VAL 66 HG12 VAL 66 10.876 -2.276 2.607 540 2HG1 VAL 66 HG13 VAL 66 12.178 -1.203 3.125 541 3HG1 VAL 66 HG11 VAL 66 10.756 -1.420 4.144 542 1HG2 VAL 66 HG23 VAL 66 11.813 1.364 2.956 543 2HG2 VAL 66 HG21 VAL 66 10.154 1.922 2.736 544 3HG2 VAL 66 HG22 VAL 66 10.601 1.022 4.185 545 H TYR 67 HN TYR 67 8.489 -0.677 0.131 546 HA TYR 67 HA TYR 67 8.043 1.390 -1.756 547 1HB TYR 67 HB2 TYR 67 6.361 -0.724 -0.454 548 2HB TYR 67 HB3 TYR 67 5.530 0.612 -1.228 549 HD1 TYR 67 HD2 TYR 67 7.124 1.099 -3.629 550 HD2 TYR 67 HD1 TYR 67 5.947 -2.559 -1.798 551 HE1 TYR 67 HE2 TYR 67 7.251 -0.019 -5.805 552 HE2 TYR 67 HE1 TYR 67 6.049 -3.694 -3.972 553 HH TYR 67 HH TYR 67 5.970 -2.274 -6.792 554 H CYS 68 HN CYS 68 7.206 3.367 -1.533 555 HA CYS 68 HA CYS 68 5.824 4.145 0.927 556 1HB CYS 68 HB2 CYS 68 8.270 4.781 1.079 557 2HB CYS 68 HB3 CYS 68 8.004 5.867 -0.272 558 HG CYS 68 HG CYS 68 7.322 6.425 2.612 559 H LEU 69 HN LEU 69 4.903 6.401 0.643 560 HA LEU 69 HA LEU 69 3.849 6.673 -2.104 561 1HB LEU 69 HB2 LEU 69 2.358 6.133 0.083 562 2HB LEU 69 HB3 LEU 69 2.375 7.881 0.181 563 HG LEU 69 HG LEU 69 1.376 8.040 -2.041 564 1HD1 LEU 69 HD13 LEU 69 2.129 5.226 -2.152 565 2HD1 LEU 69 HD11 LEU 69 0.452 5.493 -2.623 566 3HD1 LEU 69 HD12 LEU 69 1.750 6.344 -3.464 567 1HD2 LEU 69 HD23 LEU 69 0.012 7.718 0.074 568 2HD2 LEU 69 HD21 LEU 69 -0.794 7.392 -1.461 569 3HD2 LEU 69 HD22 LEU 69 -0.220 6.055 -0.463 570 HA PRO 70 HA PRO 70 5.771 10.735 -1.886 571 1HB PRO 70 HB2 PRO 70 4.870 11.763 -4.187 572 2HB PRO 70 HB3 PRO 70 6.029 10.434 -4.171 573 1HG PRO 70 HG2 PRO 70 3.075 10.357 -4.628 574 2HG PRO 70 HG3 PRO 70 4.364 9.493 -5.484 575 1HD PRO 70 HD2 PRO 70 2.808 8.414 -3.485 576 2HD PRO 70 HD3 PRO 70 4.415 7.812 -3.937 577 H ALA 71 HN ALA 71 4.444 13.030 -2.888 578 HA ALA 71 HA ALA 71 2.798 13.817 -0.733 579 1HB ALA 71 HB3 ALA 71 3.971 15.434 -2.156 580 2HB ALA 71 HB1 ALA 71 2.923 15.011 -3.510 581 3HB ALA 71 HB2 ALA 71 2.246 15.783 -2.075 582 H GLU 72 HN GLU 72 0.697 13.381 -0.318 583 HA GLU 72 HA GLU 72 -0.778 11.408 -1.342 584 1HB GLU 72 HB2 GLU 72 -1.862 14.009 -0.255 585 2HB GLU 72 HB3 GLU 72 -2.830 12.556 -0.494 586 1HG GLU 72 HG2 GLU 72 -1.058 11.394 0.975 587 2HG GLU 72 HG3 GLU 72 -0.595 13.026 1.452 588 H LEU 73 HN LEU 73 -1.198 10.929 -3.359 589 HA LEU 73 HA LEU 73 -2.047 12.997 -5.258 590 1HB LEU 73 HB2 LEU 73 -0.002 11.627 -5.726 591 2HB LEU 73 HB3 LEU 73 -1.013 10.199 -5.810 592 HG LEU 73 HG LEU 73 -1.753 12.471 -7.594 593 1HD1 LEU 73 HD13 LEU 73 0.810 10.944 -7.823 594 2HD1 LEU 73 HD11 LEU 73 -0.047 11.487 -9.266 595 3HD1 LEU 73 HD12 LEU 73 0.500 12.665 -8.074 596 1HD2 LEU 73 HD22 LEU 73 -1.675 9.475 -7.839 597 2HD2 LEU 73 HD23 LEU 73 -3.088 10.530 -7.775 598 3HD2 LEU 73 HD21 LEU 73 -2.037 10.551 -9.188 599 H GLY 74 HN GLY 74 -4.203 13.151 -5.040 600 1HA GLY 74 HA1 GLY 74 -6.085 11.897 -6.301 601 2HA GLY 74 HA2 GLY 74 -5.855 10.704 -5.038 602 H VAL 75 HN VAL 75 -6.799 14.064 -5.655 603 HA VAL 75 HA VAL 75 -8.129 14.140 -3.036 604 HB VAL 75 HB VAL 75 -7.284 16.172 -2.912 605 1HG1 VAL 75 HG21 VAL 75 -5.864 15.733 -4.954 606 2HG1 VAL 75 HG22 VAL 75 -7.066 16.637 -5.865 607 3HG1 VAL 75 HG23 VAL 75 -6.193 17.413 -4.555 608 1HG2 VAL 75 HG12 VAL 75 -9.685 16.643 -3.299 609 2HG2 VAL 75 HG13 VAL 75 -8.608 17.983 -3.678 610 3HG2 VAL 75 HG11 VAL 75 -9.299 17.021 -4.975 611 HA PRO 76 HA PRO 76 -11.816 15.069 -6.124 612 1HB PRO 76 HB2 PRO 76 -11.365 14.222 -8.727 613 2HB PRO 76 HB3 PRO 76 -11.218 15.893 -8.168 614 1HG PRO 76 HG2 PRO 76 -9.074 13.807 -8.478 615 2HG PRO 76 HG3 PRO 76 -9.065 15.504 -9.007 616 1HD PRO 76 HD2 PRO 76 -7.793 14.850 -6.790 617 2HD PRO 76 HD3 PRO 76 -8.809 16.303 -6.822 618 H THR 77 HN THR 77 -9.781 12.249 -6.251 619 HA THR 77 HA THR 77 -12.019 10.484 -5.854 620 HB THR 77 HB THR 77 -11.839 10.778 -8.383 621 HG1 THR 77 HG1 THR 77 -12.827 8.940 -7.719 622 1HG2 THR 77 HG22 THR 77 -9.276 10.793 -8.401 623 2HG2 THR 77 HG21 THR 77 -9.400 9.033 -8.304 624 3HG2 THR 77 HG23 THR 77 -10.113 9.898 -9.665 625 H THR 78 HN THR 78 -11.186 8.166 -5.633 626 HA THR 78 HA THR 78 -8.744 8.207 -4.033 627 HB THR 78 HB THR 78 -9.482 5.840 -3.458 628 HG1 THR 78 HG1 THR 78 -10.843 5.582 -5.314 629 1HG2 THR 78 HG21 THR 78 -11.104 8.246 -2.780 630 2HG2 THR 78 HG23 THR 78 -11.609 6.657 -2.217 631 3HG2 THR 78 HG22 THR 78 -10.027 7.290 -1.766 No H/Q in entry = 631 Start of MODEL 22 1 1H MET 1 HT3 MET 1 -11.804 -0.243 17.158 2 2H MET 1 HT2 MET 1 -12.747 -1.681 17.172 3 3H MET 1 HT1 MET 1 -11.165 -1.679 17.854 4 HA MET 1 HA MET 1 -10.166 -1.437 15.801 5 1HB MET 1 HB2 MET 1 -12.425 -3.444 15.856 6 2HB MET 1 HB3 MET 1 -11.258 -3.408 14.541 7 1HG MET 1 HG2 MET 1 -10.473 -3.699 17.429 8 2HG MET 1 HG3 MET 1 -10.796 -5.063 16.366 9 1HE MET 1 HE2 MET 1 -9.537 -5.527 14.171 10 2HE MET 1 HE3 MET 1 -7.776 -5.454 14.223 11 3HE MET 1 HE1 MET 1 -8.661 -6.322 15.477 12 H ARG 2 HN ARG 2 -10.189 -0.915 13.620 13 HA ARG 2 HA ARG 2 -12.599 0.520 12.675 14 1HB ARG 2 HB2 ARG 2 -9.659 1.002 12.171 15 2HB ARG 2 HB3 ARG 2 -10.906 1.731 11.175 16 1HG ARG 2 HG2 ARG 2 -10.993 2.072 14.145 17 2HG ARG 2 HG3 ARG 2 -9.902 3.056 13.167 18 1HD ARG 2 HD2 ARG 2 -11.708 4.432 13.116 19 2HD ARG 2 HD3 ARG 2 -12.122 3.419 11.741 20 HE ARG 2 HE ARG 2 -13.237 3.070 14.466 21 1HH1 ARG 2 HH12 ARG 2 -13.641 2.978 10.972 22 2HH1 ARG 2 HH11 ARG 2 -15.319 2.521 11.060 23 1HH2 ARG 2 HH22 ARG 2 -15.400 2.477 14.571 24 2HH2 ARG 2 HH21 ARG 2 -16.318 2.242 13.114 25 H SER 3 HN SER 3 -12.108 0.781 10.044 26 HA SER 3 HA SER 3 -12.274 -0.224 8.018 27 1HB SER 3 HB2 SER 3 -10.743 -2.580 9.163 28 2HB SER 3 HB3 SER 3 -10.881 -2.109 7.470 29 HG SER 3 HG SER 3 -9.083 -1.306 9.297 30 H SER 4 HN SER 4 -14.565 -0.290 8.883 31 HA SER 4 HA SER 4 -15.611 -3.029 8.663 32 1HB SER 4 HB2 SER 4 -16.473 -0.985 10.739 33 2HB SER 4 HB3 SER 4 -17.255 -2.539 10.455 34 HG SER 4 HG SER 4 -15.879 -3.273 11.851 35 H ALA 5 HN ALA 5 -17.508 -3.225 7.588 36 HA ALA 5 HA ALA 5 -19.310 -2.762 6.307 37 1HB ALA 5 HB1 ALA 5 -19.912 -1.203 8.178 38 2HB ALA 5 HB2 ALA 5 -19.221 0.105 7.222 39 3HB ALA 5 HB3 ALA 5 -20.597 -0.805 6.605 40 H LYS 6 HN LYS 6 -17.574 0.350 6.045 41 HA LYS 6 HA LYS 6 -17.882 0.483 3.217 42 1HB LYS 6 HB2 LYS 6 -15.833 2.036 4.803 43 2HB LYS 6 HB3 LYS 6 -16.639 2.504 3.313 44 1HG LYS 6 HG2 LYS 6 -17.903 3.756 4.680 45 2HG LYS 6 HG3 LYS 6 -18.779 2.251 4.936 46 1HD LYS 6 HD2 LYS 6 -18.405 2.664 7.117 47 2HD LYS 6 HD3 LYS 6 -16.801 2.014 6.787 48 1HE LYS 6 HE2 LYS 6 -17.613 4.917 6.818 49 2HE LYS 6 HE3 LYS 6 -16.585 4.095 7.986 50 1HZ LYS 6 HZ1 LYS 6 -15.862 4.267 5.124 51 2HZ LYS 6 HZ3 LYS 6 -15.449 5.490 6.224 52 3HZ LYS 6 HZ2 LYS 6 -14.860 3.905 6.445 53 H GLN 7 HN GLN 7 -16.341 0.264 1.560 54 HA GLN 7 HA GLN 7 -14.133 -1.564 2.207 55 1HB GLN 7 HB2 GLN 7 -16.003 -1.891 0.328 56 2HB GLN 7 HB3 GLN 7 -14.825 -0.993 -0.622 57 1HG GLN 7 HG2 GLN 7 -14.221 -3.202 -0.977 58 2HG GLN 7 HG3 GLN 7 -13.111 -2.655 0.285 59 1HE2 GLN 7 HE22 GLN 7 -14.000 -5.774 1.700 60 2HE2 GLN 7 HE21 GLN 7 -12.875 -4.988 0.648 61 H GLU 8 HN GLU 8 -14.615 1.698 1.574 62 HA GLU 8 HA GLU 8 -12.217 2.343 0.149 63 1HB GLU 8 HB2 GLU 8 -12.645 4.648 1.203 64 2HB GLU 8 HB3 GLU 8 -13.889 4.011 0.140 65 1HG GLU 8 HG2 GLU 8 -15.426 3.940 1.767 66 2HG GLU 8 HG3 GLU 8 -14.289 3.295 2.949 67 H GLU 9 HN GLU 9 -12.428 0.764 2.874 68 HA GLU 9 HA GLU 9 -10.614 2.206 4.613 69 1HB GLU 9 HB2 GLU 9 -11.790 -0.558 4.905 70 2HB GLU 9 HB3 GLU 9 -10.941 0.345 6.154 71 1HG GLU 9 HG2 GLU 9 -13.396 1.447 4.825 72 2HG GLU 9 HG3 GLU 9 -13.520 0.323 6.176 73 H LEU 10 HN LEU 10 -10.582 -0.435 2.338 74 HA LEU 10 HA LEU 10 -7.962 -1.420 2.894 75 1HB LEU 10 HB2 LEU 10 -9.794 -2.531 1.480 76 2HB LEU 10 HB3 LEU 10 -9.359 -1.418 0.208 77 HG LEU 10 HG LEU 10 -8.194 -3.954 0.894 78 1HD1 LEU 10 HD11 LEU 10 -7.887 -2.011 -1.369 79 2HD1 LEU 10 HD12 LEU 10 -7.094 -3.587 -1.336 80 3HD1 LEU 10 HD13 LEU 10 -8.855 -3.485 -1.318 81 1HD2 LEU 10 HD22 LEU 10 -6.532 -2.445 2.084 82 2HD2 LEU 10 HD23 LEU 10 -5.923 -3.600 0.915 83 3HD2 LEU 10 HD21 LEU 10 -6.074 -1.907 0.470 84 H VAL 11 HN VAL 11 -9.360 1.177 1.012 85 HA VAL 11 HA VAL 11 -7.007 1.969 -0.387 86 HB VAL 11 HB VAL 11 -9.421 3.669 0.338 87 1HG1 VAL 11 HG12 VAL 11 -7.002 4.267 -1.096 88 2HG1 VAL 11 HG13 VAL 11 -8.400 4.396 -2.166 89 3HG1 VAL 11 HG11 VAL 11 -8.347 5.326 -0.670 90 1HG2 VAL 11 HG22 VAL 11 -8.920 1.782 -1.955 91 2HG2 VAL 11 HG23 VAL 11 -10.262 1.777 -0.808 92 3HG2 VAL 11 HG21 VAL 11 -10.139 3.054 -2.017 93 H LYS 12 HN LYS 12 -8.529 3.279 2.623 94 HA LYS 12 HA LYS 12 -6.547 5.192 3.151 95 1HB LYS 12 HB2 LYS 12 -8.397 3.763 5.011 96 2HB LYS 12 HB3 LYS 12 -7.245 4.967 5.572 97 1HG LYS 12 HG2 LYS 12 -8.637 6.603 5.025 98 2HG LYS 12 HG3 LYS 12 -8.659 6.057 3.348 99 1HD LYS 12 HD2 LYS 12 -10.866 5.766 3.796 100 2HD LYS 12 HD3 LYS 12 -10.246 4.235 4.394 101 1HE LYS 12 HE2 LYS 12 -10.171 5.108 6.663 102 2HE LYS 12 HE3 LYS 12 -10.711 6.683 6.086 103 1HZ LYS 12 HZ3 LYS 12 -12.719 5.297 5.195 104 2HZ LYS 12 HZ2 LYS 12 -12.235 4.190 6.397 105 3HZ LYS 12 HZ1 LYS 12 -12.656 5.776 6.830 106 H ALA 13 HN ALA 13 -6.862 1.852 4.266 107 HA ALA 13 HA ALA 13 -4.529 1.744 5.851 108 1HB ALA 13 HB2 ALA 13 -6.409 0.105 5.936 109 2HB ALA 13 HB3 ALA 13 -5.823 -0.575 4.418 110 3HB ALA 13 HB1 ALA 13 -4.809 -0.632 5.861 111 H PHE 14 HN PHE 14 -5.076 0.980 2.409 112 HA PHE 14 HA PHE 14 -2.584 -0.121 1.814 113 1HB PHE 14 HB2 PHE 14 -4.611 -0.033 0.266 114 2HB PHE 14 HB3 PHE 14 -4.144 1.618 -0.126 115 HD1 PHE 14 HD1 PHE 14 -3.211 -1.936 -0.391 116 HD2 PHE 14 HD2 PHE 14 -2.209 2.052 -1.492 117 HE1 PHE 14 HE1 PHE 14 -1.634 -2.799 -2.053 118 HE2 PHE 14 HE2 PHE 14 -0.620 1.182 -3.164 119 HZ PHE 14 HZ PHE 14 -0.339 -1.242 -3.435 120 H LYS 15 HN LYS 15 -3.568 3.320 1.568 121 HA LYS 15 HA LYS 15 -1.059 4.302 0.763 122 1HB LYS 15 HB2 LYS 15 -3.474 5.551 1.959 123 2HB LYS 15 HB3 LYS 15 -1.972 6.466 1.972 124 1HG LYS 15 HG2 LYS 15 -2.265 7.053 -0.131 125 2HG LYS 15 HG3 LYS 15 -2.296 5.362 -0.626 126 1HD LYS 15 HD2 LYS 15 -4.308 6.506 -1.347 127 2HD LYS 15 HD3 LYS 15 -4.665 5.246 -0.171 128 1HE LYS 15 HE2 LYS 15 -5.625 7.831 -0.071 129 2HE LYS 15 HE3 LYS 15 -5.548 6.707 1.287 130 1HZ LYS 15 HZ3 LYS 15 -3.319 8.558 0.630 131 2HZ LYS 15 HZ2 LYS 15 -4.597 8.986 1.669 132 3HZ LYS 15 HZ1 LYS 15 -3.573 7.691 2.077 133 H ALA 16 HN ALA 16 -2.464 3.894 3.993 134 HA ALA 16 HA ALA 16 -0.452 5.130 5.503 135 1HB ALA 16 HB2 ALA 16 -2.681 4.529 6.379 136 2HB ALA 16 HB3 ALA 16 -2.209 2.832 6.364 137 3HB ALA 16 HB1 ALA 16 -1.369 3.972 7.414 138 H LEU 17 HN LEU 17 -0.827 1.696 4.576 139 HA LEU 17 HA LEU 17 1.394 0.634 5.893 140 1HB LEU 17 HB2 LEU 17 0.085 -0.149 3.287 141 2HB LEU 17 HB3 LEU 17 1.389 -1.076 3.995 142 HG LEU 17 HG LEU 17 -1.426 -0.758 4.934 143 1HD1 LEU 17 HD13 LEU 17 0.427 -3.038 4.363 144 2HD1 LEU 17 HD11 LEU 17 -1.064 -3.258 5.278 145 3HD1 LEU 17 HD12 LEU 17 -1.128 -2.659 3.619 146 1HD2 LEU 17 HD22 LEU 17 0.938 -1.421 6.662 147 2HD2 LEU 17 HD23 LEU 17 -0.346 -0.251 6.959 148 3HD2 LEU 17 HD21 LEU 17 -0.689 -1.975 7.038 149 H LEU 18 HN LEU 18 1.172 1.974 2.614 150 HA LEU 18 HA LEU 18 3.910 1.618 1.936 151 1HB LEU 18 HB2 LEU 18 1.988 3.706 0.905 152 2HB LEU 18 HB3 LEU 18 3.502 3.245 0.152 153 HG LEU 18 HG LEU 18 1.313 1.234 0.568 154 1HD1 LEU 18 HD13 LEU 18 1.175 3.566 -1.076 155 2HD1 LEU 18 HD11 LEU 18 1.259 2.125 -2.097 156 3HD1 LEU 18 HD12 LEU 18 0.002 2.268 -0.869 157 1HD2 LEU 18 HD21 LEU 18 3.538 0.395 -0.014 158 2HD2 LEU 18 HD22 LEU 18 2.384 0.130 -1.323 159 3HD2 LEU 18 HD23 LEU 18 3.558 1.440 -1.438 160 H LYS 19 HN LYS 19 2.146 4.483 3.108 161 HA LYS 19 HA LYS 19 4.364 6.183 3.192 162 1HB LYS 19 HB2 LYS 19 1.672 6.289 4.526 163 2HB LYS 19 HB3 LYS 19 2.870 7.556 4.760 164 1HG LYS 19 HG2 LYS 19 2.969 7.784 2.261 165 2HG LYS 19 HG3 LYS 19 1.579 6.698 2.172 166 1HD LYS 19 HD2 LYS 19 0.247 8.472 2.462 167 2HD LYS 19 HD3 LYS 19 0.928 8.685 4.075 168 1HE LYS 19 HE2 LYS 19 2.031 9.871 1.522 169 2HE LYS 19 HE3 LYS 19 1.089 10.734 2.737 170 1HZ LYS 19 HZ3 LYS 19 3.642 9.389 3.426 171 2HZ LYS 19 HZ2 LYS 19 3.601 10.977 2.820 172 3HZ LYS 19 HZ1 LYS 19 2.815 10.600 4.285 173 H GLU 20 HN GLU 20 3.619 3.613 5.320 174 HA GLU 20 HA GLU 20 4.970 4.653 7.661 175 1HB GLU 20 HB2 GLU 20 3.895 1.967 6.849 176 2HB GLU 20 HB3 GLU 20 5.039 2.065 8.177 177 1HG GLU 20 HG2 GLU 20 3.411 3.844 9.129 178 2HG GLU 20 HG3 GLU 20 2.258 3.144 7.999 179 H GLU 21 HN GLU 21 5.827 3.011 4.716 180 HA GLU 21 HA GLU 21 7.779 2.477 3.725 181 1HB GLU 21 HB2 GLU 21 9.232 3.980 5.907 182 2HB GLU 21 HB3 GLU 21 9.741 3.712 4.247 183 1HG GLU 21 HG2 GLU 21 7.655 5.073 3.595 184 2HG GLU 21 HG3 GLU 21 7.628 5.576 5.281 185 H LYS 22 HN LYS 22 6.840 0.410 5.028 186 HA LYS 22 HA LYS 22 9.171 -0.815 6.373 187 1HB LYS 22 HB2 LYS 22 7.378 -2.299 7.516 188 2HB LYS 22 HB3 LYS 22 7.642 -0.677 8.117 189 1HG LYS 22 HG2 LYS 22 5.656 0.026 6.707 190 2HG LYS 22 HG3 LYS 22 5.351 -1.700 6.501 191 1HD LYS 22 HD2 LYS 22 5.563 -1.760 9.103 192 2HD LYS 22 HD3 LYS 22 5.221 -0.032 8.980 193 1HE LYS 22 HE2 LYS 22 3.146 -0.525 7.777 194 2HE LYS 22 HE3 LYS 22 3.496 -2.249 7.877 195 1HZ LYS 22 HZ3 LYS 22 3.588 -1.719 10.421 196 2HZ LYS 22 HZ2 LYS 22 2.584 -0.420 9.967 197 3HZ LYS 22 HZ1 LYS 22 2.111 -2.017 9.636 198 H PHE 23 HN PHE 23 6.950 -1.041 3.777 199 HA PHE 23 HA PHE 23 7.448 -3.908 3.357 200 1HB PHE 23 HB2 PHE 23 5.588 -2.044 1.848 201 2HB PHE 23 HB3 PHE 23 5.656 -3.804 1.707 202 HD1 PHE 23 HD2 PHE 23 4.826 -5.219 3.511 203 HD2 PHE 23 HD1 PHE 23 4.567 -0.989 3.747 204 HE1 PHE 23 HE2 PHE 23 3.250 -5.428 5.382 205 HE2 PHE 23 HE1 PHE 23 3.004 -1.183 5.626 206 HZ PHE 23 HZ PHE 23 2.330 -3.408 6.443 207 H SER 24 HN SER 24 8.721 -4.662 1.794 208 HA SER 24 HA SER 24 9.928 -2.744 -0.101 209 1HB SER 24 HB2 SER 24 11.538 -4.997 -0.194 210 2HB SER 24 HB3 SER 24 11.866 -3.533 0.718 211 HG SER 24 HG SER 24 11.551 -4.587 2.512 212 H SER 25 HN SER 25 7.882 -5.448 0.164 213 HA SER 25 HA SER 25 7.849 -5.760 -2.765 214 1HB SER 25 HB2 SER 25 7.430 -8.252 -2.339 215 2HB SER 25 HB3 SER 25 9.076 -7.682 -2.073 216 HG SER 25 HG SER 25 8.878 -7.993 0.032 217 H GLN 26 HN GLN 26 5.872 -6.688 -3.577 218 HA GLN 26 HA GLN 26 3.481 -5.522 -2.543 219 1HB GLN 26 HB2 GLN 26 3.417 -7.865 -4.413 220 2HB GLN 26 HB3 GLN 26 2.471 -6.402 -4.417 221 1HG GLN 26 HG2 GLN 26 4.645 -5.200 -5.034 222 2HG GLN 26 HG3 GLN 26 5.258 -6.810 -5.401 223 1HE2 GLN 26 HE22 GLN 26 3.143 -4.879 -8.125 224 2HE2 GLN 26 HE21 GLN 26 3.859 -4.164 -6.719 225 H GLY 27 HN GLY 27 4.470 -8.906 -2.842 226 1HA GLY 27 HA1 GLY 27 2.555 -10.353 -1.644 227 2HA GLY 27 HA2 GLY 27 4.247 -10.714 -1.406 228 H GLU 28 HN GLU 28 4.941 -8.504 0.273 229 HA GLU 28 HA GLU 28 4.052 -9.534 2.781 230 1HB GLU 28 HB2 GLU 28 6.317 -8.531 2.346 231 2HB GLU 28 HB3 GLU 28 5.548 -6.949 2.322 232 1HG GLU 28 HG2 GLU 28 4.862 -7.190 4.617 233 2HG GLU 28 HG3 GLU 28 5.445 -8.850 4.663 234 H ILE 29 HN ILE 29 3.321 -6.507 1.006 235 HA ILE 29 HA ILE 29 1.610 -5.501 3.081 236 HB ILE 29 HB ILE 29 2.237 -3.672 1.967 237 1HG1 ILE 29 HG12 ILE 29 -0.057 -4.362 0.128 238 2HG1 ILE 29 HG13 ILE 29 -0.223 -3.673 1.743 239 1HG2 ILE 29 HG21 ILE 29 3.616 -4.870 0.322 240 2HG2 ILE 29 HG22 ILE 29 2.194 -5.044 -0.704 241 3HG2 ILE 29 HG23 ILE 29 2.830 -3.447 -0.349 242 1HD1 ILE 29 HD12 ILE 29 1.465 -1.885 0.639 243 2HD1 ILE 29 HD13 ILE 29 0.570 -2.401 -0.793 244 3HD1 ILE 29 HD11 ILE 29 -0.294 -1.740 0.596 245 H VAL 30 HN VAL 30 1.208 -7.686 0.422 246 HA VAL 30 HA VAL 30 -1.627 -7.659 0.184 247 HB VAL 30 HB VAL 30 0.204 -10.046 -0.237 248 1HG1 VAL 30 HG11 VAL 30 -2.233 -10.526 -0.130 249 2HG1 VAL 30 HG12 VAL 30 -2.458 -9.437 -1.498 250 3HG1 VAL 30 HG13 VAL 30 -1.499 -10.901 -1.686 251 1HG2 VAL 30 HG22 VAL 30 0.292 -7.631 -1.627 252 2HG2 VAL 30 HG23 VAL 30 0.995 -9.162 -2.116 253 3HG2 VAL 30 HG21 VAL 30 -0.615 -8.726 -2.659 254 H ALA 31 HN ALA 31 0.597 -9.733 2.031 255 HA ALA 31 HA ALA 31 -1.393 -11.171 3.440 256 1HB ALA 31 HB2 ALA 31 0.944 -11.943 3.108 257 2HB ALA 31 HB3 ALA 31 1.470 -10.744 4.289 258 3HB ALA 31 HB1 ALA 31 0.390 -12.052 4.775 259 H ALA 32 HN ALA 32 0.492 -8.279 4.295 260 HA ALA 32 HA ALA 32 -0.246 -7.993 6.955 261 1HB ALA 32 HB2 ALA 32 1.478 -6.645 5.904 262 2HB ALA 32 HB3 ALA 32 0.262 -5.794 4.956 263 3HB ALA 32 HB1 ALA 32 0.293 -5.622 6.711 264 H LEU 33 HN LEU 33 -1.977 -6.802 4.063 265 HA LEU 33 HA LEU 33 -4.064 -5.556 5.560 266 1HB LEU 33 HB2 LEU 33 -4.009 -6.413 2.665 267 2HB LEU 33 HB3 LEU 33 -5.279 -5.439 3.396 268 HG LEU 33 HG LEU 33 -2.417 -4.521 3.477 269 1HD1 LEU 33 HD11 LEU 33 -3.992 -4.848 1.107 270 2HD1 LEU 33 HD12 LEU 33 -3.716 -3.136 1.418 271 3HD1 LEU 33 HD13 LEU 33 -2.350 -4.240 1.283 272 1HD2 LEU 33 HD22 LEU 33 -5.112 -3.216 3.737 273 2HD2 LEU 33 HD23 LEU 33 -3.787 -3.253 4.900 274 3HD2 LEU 33 HD21 LEU 33 -3.644 -2.292 3.431 275 H GLN 34 HN GLN 34 -3.531 -8.853 4.464 276 HA GLN 34 HA GLN 34 -6.228 -9.744 4.741 277 1HB GLN 34 HB2 GLN 34 -3.616 -11.256 4.823 278 2HB GLN 34 HB3 GLN 34 -5.180 -12.042 4.951 279 1HG GLN 34 HG2 GLN 34 -5.796 -11.420 2.762 280 2HG GLN 34 HG3 GLN 34 -4.474 -10.265 2.635 281 1HE2 GLN 34 HE22 GLN 34 -3.474 -13.157 0.649 282 2HE2 GLN 34 HE21 GLN 34 -4.684 -11.925 0.604 283 H GLU 35 HN GLU 35 -3.544 -9.360 6.975 284 HA GLU 35 HA GLU 35 -4.825 -10.588 9.230 285 1HB GLU 35 HB2 GLU 35 -2.649 -8.479 9.251 286 2HB GLU 35 HB3 GLU 35 -3.084 -9.559 10.567 287 1HG GLU 35 HG2 GLU 35 -2.394 -11.480 9.116 288 2HG GLU 35 HG3 GLU 35 -1.783 -10.299 7.962 289 H GLN 36 HN GLN 36 -4.687 -7.318 7.897 290 HA GLN 36 HA GLN 36 -5.836 -5.896 10.036 291 1HB GLN 36 HB2 GLN 36 -5.710 -5.382 7.073 292 2HB GLN 36 HB3 GLN 36 -6.521 -4.271 8.159 293 1HG GLN 36 HG2 GLN 36 -3.731 -5.092 8.797 294 2HG GLN 36 HG3 GLN 36 -3.995 -3.957 7.476 295 1HE2 GLN 36 HE22 GLN 36 -3.968 -1.335 9.730 296 2HE2 GLN 36 HE21 GLN 36 -3.399 -2.042 8.261 297 H GLY 37 HN GLY 37 -7.455 -6.918 7.010 298 1HA GLY 37 HA1 GLY 37 -9.658 -8.163 8.034 299 2HA GLY 37 HA2 GLY 37 -10.069 -6.459 8.144 300 H PHE 38 HN PHE 38 -8.106 -7.822 5.552 301 HA PHE 38 HA PHE 38 -10.360 -7.419 3.671 302 1HB PHE 38 HB2 PHE 38 -7.463 -6.815 3.056 303 2HB PHE 38 HB3 PHE 38 -8.874 -6.450 2.068 304 HD1 PHE 38 HD2 PHE 38 -10.466 -4.695 2.794 305 HD2 PHE 38 HD1 PHE 38 -6.816 -5.385 4.860 306 HE1 PHE 38 HE2 PHE 38 -10.664 -2.506 3.895 307 HE2 PHE 38 HE1 PHE 38 -7.002 -3.205 5.953 308 HZ PHE 38 HZ PHE 38 -8.919 -1.764 5.472 309 H ASP 39 HN ASP 39 -10.949 -9.368 3.026 310 HA ASP 39 HA ASP 39 -9.087 -11.547 2.866 311 1HB ASP 39 HB2 ASP 39 -11.366 -11.790 3.853 312 2HB ASP 39 HB3 ASP 39 -12.005 -11.605 2.227 313 H ASN 40 HN ASN 40 -11.063 -9.809 0.632 314 HA ASN 40 HA ASN 40 -10.322 -11.412 -1.638 315 1HB ASN 40 HB2 ASN 40 -12.540 -10.040 -1.208 316 2HB ASN 40 HB3 ASN 40 -11.641 -8.729 -1.959 317 1HD2 ASN 40 HD22 ASN 40 -12.661 -9.842 -5.071 318 2HD2 ASN 40 HD21 ASN 40 -12.450 -8.543 -3.946 319 H ILE 41 HN ILE 41 -8.017 -10.520 -0.523 320 HA ILE 41 HA ILE 41 -7.019 -8.445 -2.373 321 HB ILE 41 HB ILE 41 -6.511 -8.931 0.504 322 1HG1 ILE 41 HG12 ILE 41 -6.295 -6.523 0.547 323 2HG1 ILE 41 HG13 ILE 41 -6.144 -6.464 -1.207 324 1HG2 ILE 41 HG22 ILE 41 -4.255 -8.197 -1.351 325 2HG2 ILE 41 HG23 ILE 41 -4.257 -7.842 0.374 326 3HG2 ILE 41 HG21 ILE 41 -4.316 -9.515 -0.176 327 1HD1 ILE 41 HD12 ILE 41 -8.612 -7.571 0.044 328 2HD1 ILE 41 HD13 ILE 41 -8.380 -5.830 -0.114 329 3HD1 ILE 41 HD11 ILE 41 -8.379 -6.850 -1.546 330 H ASN 42 HN ASN 42 -5.293 -8.855 -3.598 331 HA ASN 42 HA ASN 42 -3.738 -11.308 -3.278 332 1HB ASN 42 HB2 ASN 42 -4.062 -11.813 -5.778 333 2HB ASN 42 HB3 ASN 42 -5.396 -12.212 -4.709 334 1HD2 ASN 42 HD22 ASN 42 -7.645 -10.393 -6.606 335 2HD2 ASN 42 HD21 ASN 42 -7.306 -11.725 -5.558 336 H GLN 43 HN GLN 43 -1.982 -11.376 -5.093 337 HA GLN 43 HA GLN 43 -0.346 -9.145 -4.772 338 1HB GLN 43 HB2 GLN 43 0.361 -11.506 -5.367 339 2HB GLN 43 HB3 GLN 43 -0.055 -11.130 -7.034 340 1HG GLN 43 HG2 GLN 43 1.691 -9.655 -7.295 341 2HG GLN 43 HG3 GLN 43 1.816 -9.327 -5.568 342 1HE2 GLN 43 HE22 GLN 43 4.696 -11.392 -6.709 343 2HE2 GLN 43 HE21 GLN 43 3.999 -9.893 -7.211 344 H SER 44 HN SER 44 -2.466 -9.959 -7.493 345 HA SER 44 HA SER 44 -1.601 -7.952 -9.276 346 1HB SER 44 HB2 SER 44 -4.214 -8.268 -9.985 347 2HB SER 44 HB3 SER 44 -2.927 -9.352 -10.465 348 HG SER 44 HG SER 44 -3.469 -10.623 -8.564 349 H LYS 45 HN LYS 45 -4.288 -7.996 -6.970 350 HA LYS 45 HA LYS 45 -5.236 -5.386 -7.336 351 1HB LYS 45 HB2 LYS 45 -5.907 -7.504 -5.702 352 2HB LYS 45 HB3 LYS 45 -5.323 -6.336 -4.538 353 1HG LYS 45 HG2 LYS 45 -7.189 -5.143 -4.667 354 2HG LYS 45 HG3 LYS 45 -7.140 -5.116 -6.434 355 1HD LYS 45 HD2 LYS 45 -8.457 -6.986 -6.641 356 2HD LYS 45 HD3 LYS 45 -7.967 -7.645 -5.081 357 1HE LYS 45 HE2 LYS 45 -10.326 -6.869 -5.145 358 2HE LYS 45 HE3 LYS 45 -9.350 -6.076 -3.907 359 1HZ LYS 45 HZ2 LYS 45 -9.550 -4.791 -6.535 360 2HZ LYS 45 HZ1 LYS 45 -10.909 -4.719 -5.513 361 3HZ LYS 45 HZ3 LYS 45 -9.415 -4.088 -4.992 362 H VAL 46 HN VAL 46 -2.587 -6.563 -5.330 363 HA VAL 46 HA VAL 46 -2.051 -4.093 -3.977 364 HB VAL 46 HB VAL 46 -0.541 -6.677 -4.225 365 1HG1 VAL 46 HG11 VAL 46 1.110 -4.861 -4.000 366 2HG1 VAL 46 HG12 VAL 46 0.268 -4.303 -2.551 367 3HG1 VAL 46 HG13 VAL 46 1.037 -5.888 -2.577 368 1HG2 VAL 46 HG23 VAL 46 -2.537 -5.545 -2.436 369 2HG2 VAL 46 HG21 VAL 46 -1.999 -7.210 -2.609 370 3HG2 VAL 46 HG22 VAL 46 -1.110 -6.099 -1.570 371 H SER 47 HN SER 47 -0.715 -5.692 -6.842 372 HA SER 47 HA SER 47 1.297 -3.735 -7.354 373 1HB SER 47 HB2 SER 47 1.124 -6.165 -8.232 374 2HB SER 47 HB3 SER 47 0.060 -5.496 -9.465 375 HG SER 47 HG SER 47 2.212 -5.560 -10.196 376 H ARG 48 HN ARG 48 -2.066 -4.150 -8.367 377 HA ARG 48 HA ARG 48 -2.033 -2.022 -10.293 378 1HB ARG 48 HB2 ARG 48 -4.234 -3.594 -8.979 379 2HB ARG 48 HB3 ARG 48 -4.597 -2.213 -10.009 380 1HG ARG 48 HG2 ARG 48 -3.576 -3.233 -11.893 381 2HG ARG 48 HG3 ARG 48 -2.894 -4.522 -10.903 382 1HD ARG 48 HD2 ARG 48 -5.374 -5.060 -10.336 383 2HD ARG 48 HD3 ARG 48 -5.728 -4.111 -11.782 384 HE ARG 48 HE ARG 48 -3.731 -6.028 -12.366 385 1HH1 ARG 48 HH12 ARG 48 -7.161 -5.793 -11.710 386 2HH1 ARG 48 HH11 ARG 48 -7.561 -7.221 -12.617 387 1HH2 ARG 48 HH22 ARG 48 -4.256 -7.912 -13.558 388 2HH2 ARG 48 HH21 ARG 48 -5.921 -8.426 -13.663 389 H MET 49 HN MET 49 -2.993 -2.258 -6.878 390 HA MET 49 HA MET 49 -3.875 0.420 -6.590 391 1HB MET 49 HB2 MET 49 -2.977 -1.674 -4.665 392 2HB MET 49 HB3 MET 49 -3.282 -0.031 -4.124 393 1HG MET 49 HG2 MET 49 -5.129 -2.115 -4.557 394 2HG MET 49 HG3 MET 49 -5.414 -0.500 -3.947 395 1HE MET 49 HE1 MET 49 -6.577 -2.970 -5.974 396 2HE MET 49 HE2 MET 49 -7.373 -2.252 -7.375 397 3HE MET 49 HE3 MET 49 -5.670 -2.694 -7.459 398 H LEU 50 HN LEU 50 -0.690 -1.111 -6.327 399 HA LEU 50 HA LEU 50 0.758 1.070 -5.288 400 1HB LEU 50 HB2 LEU 50 1.471 -1.382 -6.875 401 2HB LEU 50 HB3 LEU 50 2.669 -0.100 -6.763 402 HG LEU 50 HG LEU 50 1.404 -1.153 -4.273 403 1HD1 LEU 50 HD12 LEU 50 3.649 -2.454 -5.793 404 2HD1 LEU 50 HD13 LEU 50 3.290 -2.773 -4.097 405 3HD1 LEU 50 HD11 LEU 50 2.108 -3.176 -5.336 406 1HD2 LEU 50 HD22 LEU 50 4.001 0.168 -4.954 407 2HD2 LEU 50 HD23 LEU 50 2.718 0.731 -3.880 408 3HD2 LEU 50 HD21 LEU 50 3.720 -0.639 -3.414 409 H THR 51 HN THR 51 0.204 0.101 -8.679 410 HA THR 51 HA THR 51 1.504 2.364 -9.810 411 HB THR 51 HB THR 51 -0.605 0.757 -11.244 412 HG1 THR 51 HG1 THR 51 0.528 -0.905 -10.464 413 1HG2 THR 51 HG22 THR 51 1.658 2.439 -12.030 414 2HG2 THR 51 HG21 THR 51 1.541 0.908 -12.894 415 3HG2 THR 51 HG23 THR 51 0.183 2.028 -12.899 416 H LYS 52 HN LYS 52 -1.863 1.650 -8.992 417 HA LYS 52 HA LYS 52 -3.082 3.874 -10.216 418 1HB LYS 52 HB2 LYS 52 -4.345 1.914 -9.485 419 2HB LYS 52 HB3 LYS 52 -3.945 2.249 -7.809 420 1HG LYS 52 HG2 LYS 52 -5.251 4.503 -9.112 421 2HG LYS 52 HG3 LYS 52 -6.226 3.031 -9.130 422 1HD LYS 52 HD2 LYS 52 -5.918 2.819 -6.689 423 2HD LYS 52 HD3 LYS 52 -5.004 4.326 -6.685 424 1HE LYS 52 HE2 LYS 52 -7.354 4.638 -5.993 425 2HE LYS 52 HE3 LYS 52 -6.939 5.561 -7.434 426 1HZ LYS 52 HZ1 LYS 52 -8.096 2.887 -7.807 427 2HZ LYS 52 HZ3 LYS 52 -9.132 4.139 -7.295 428 3HZ LYS 52 HZ2 LYS 52 -8.265 4.292 -8.753 429 H PHE 53 HN PHE 53 -2.142 3.389 -6.803 430 HA PHE 53 HA PHE 53 -2.722 6.085 -6.056 431 1HB PHE 53 HB2 PHE 53 -1.256 3.835 -4.656 432 2HB PHE 53 HB3 PHE 53 -1.486 5.418 -3.925 433 HD1 PHE 53 HD1 PHE 53 -4.128 6.225 -4.372 434 HD2 PHE 53 HD2 PHE 53 -2.689 2.257 -3.823 435 HE1 PHE 53 HE1 PHE 53 -6.355 5.520 -3.594 436 HE2 PHE 53 HE2 PHE 53 -4.903 1.552 -3.045 437 HZ PHE 53 HZ PHE 53 -6.741 3.176 -2.933 438 H GLY 54 HN GLY 54 0.016 4.597 -7.523 439 1HA GLY 54 HA1 GLY 54 1.866 5.635 -8.447 440 2HA GLY 54 HA2 GLY 54 1.352 7.147 -7.719 441 H ALA 55 HN ALA 55 2.445 3.956 -6.564 442 HA ALA 55 HA ALA 55 3.850 5.139 -4.329 443 1HB ALA 55 HB1 ALA 55 3.641 2.298 -5.309 444 2HB ALA 55 HB2 ALA 55 4.504 2.782 -3.847 445 3HB ALA 55 HB3 ALA 55 2.762 3.039 -3.969 446 H VAL 56 HN VAL 56 6.082 5.023 -3.945 447 HA VAL 56 HA VAL 56 7.810 4.546 -6.294 448 HB VAL 56 HB VAL 56 9.220 6.417 -5.700 449 1HG1 VAL 56 HG13 VAL 56 7.181 6.790 -7.116 450 2HG1 VAL 56 HG11 VAL 56 6.377 7.412 -5.675 451 3HG1 VAL 56 HG12 VAL 56 7.804 8.229 -6.307 452 1HG2 VAL 56 HG23 VAL 56 7.423 6.649 -3.310 453 2HG2 VAL 56 HG21 VAL 56 9.185 6.625 -3.381 454 3HG2 VAL 56 HG22 VAL 56 8.299 8.051 -3.921 455 H ARG 57 HN ARG 57 10.070 4.026 -5.690 456 HA ARG 57 HA ARG 57 10.176 2.573 -3.116 457 1HB ARG 57 HB2 ARG 57 11.953 1.877 -5.435 458 2HB ARG 57 HB3 ARG 57 11.426 0.874 -4.089 459 1HG ARG 57 HG2 ARG 57 9.056 1.226 -5.199 460 2HG ARG 57 HG3 ARG 57 10.027 1.532 -6.632 461 1HD ARG 57 HD2 ARG 57 9.539 -0.975 -5.159 462 2HD ARG 57 HD3 ARG 57 9.817 -0.710 -6.876 463 HE ARG 57 HE ARG 57 11.773 -1.357 -4.855 464 1HH1 ARG 57 HH12 ARG 57 11.294 0.062 -8.036 465 2HH1 ARG 57 HH11 ARG 57 12.942 -0.223 -8.536 466 1HH2 ARG 57 HH22 ARG 57 13.890 -1.722 -5.514 467 2HH2 ARG 57 HH21 ARG 57 14.417 -1.232 -7.094 468 H THR 58 HN THR 58 11.741 3.113 -1.688 469 HA THR 58 HA THR 58 14.221 4.323 -2.546 470 HB THR 58 HB THR 58 12.423 6.193 -2.497 471 HG1 THR 58 HG1 THR 58 14.406 7.130 -0.880 472 1HG2 THR 58 HG23 THR 58 11.636 5.468 -0.150 473 2HG2 THR 58 HG22 THR 58 13.034 6.377 0.417 474 3HG2 THR 58 HG21 THR 58 11.782 7.182 -0.527 475 H ARG 59 HN ARG 59 15.689 4.796 -0.715 476 HA ARG 59 HA ARG 59 15.643 2.675 1.181 477 1HB ARG 59 HB2 ARG 59 17.487 4.898 0.454 478 2HB ARG 59 HB3 ARG 59 17.670 4.201 2.047 479 1HG ARG 59 HG2 ARG 59 17.713 1.932 0.778 480 2HG ARG 59 HG3 ARG 59 18.094 2.934 -0.621 481 1HD ARG 59 HD2 ARG 59 19.620 2.886 1.981 482 2HD ARG 59 HD3 ARG 59 20.119 2.096 0.497 483 HE ARG 59 HE ARG 59 20.168 4.958 1.090 484 1HH1 ARG 59 HH12 ARG 59 20.626 2.426 -1.309 485 2HH1 ARG 59 HH11 ARG 59 21.567 3.441 -2.372 486 1HH2 ARG 59 HH22 ARG 59 21.391 6.275 -0.321 487 2HH2 ARG 59 HH21 ARG 59 21.995 5.609 -1.810 488 H ASN 60 HN ASN 60 14.770 2.642 3.148 489 HA ASN 60 HA ASN 60 13.644 5.064 4.302 490 1HB ASN 60 HB2 ASN 60 12.612 3.559 5.966 491 2HB ASN 60 HB3 ASN 60 12.255 3.078 4.320 492 1HD2 ASN 60 HD22 ASN 60 12.915 -0.104 5.740 493 2HD2 ASN 60 HD21 ASN 60 11.672 1.066 5.466 494 H ALA 61 HN ALA 61 13.787 4.471 7.021 495 HA ALA 61 HA ALA 61 16.136 5.748 7.781 496 1HB ALA 61 HB3 ALA 61 14.048 5.695 9.107 497 2HB ALA 61 HB1 ALA 61 14.410 4.030 9.558 498 3HB ALA 61 HB2 ALA 61 15.488 5.333 10.058 499 H LYS 62 HN LYS 62 15.595 2.333 7.295 500 HA LYS 62 HA LYS 62 18.148 1.684 8.608 501 1HB LYS 62 HB2 LYS 62 15.838 -0.063 7.766 502 2HB LYS 62 HB3 LYS 62 17.399 -0.703 8.270 503 1HG LYS 62 HG2 LYS 62 17.117 0.467 10.445 504 2HG LYS 62 HG3 LYS 62 15.503 0.957 9.931 505 1HD LYS 62 HD2 LYS 62 16.075 -1.925 9.692 506 2HD LYS 62 HD3 LYS 62 16.049 -1.299 11.341 507 1HE LYS 62 HE2 LYS 62 13.816 -0.656 11.207 508 2HE LYS 62 HE3 LYS 62 13.829 -0.626 9.443 509 1HZ LYS 62 HZ3 LYS 62 14.289 -3.192 10.782 510 2HZ LYS 62 HZ2 LYS 62 12.702 -2.572 10.763 511 3HZ LYS 62 HZ1 LYS 62 13.522 -2.859 9.298 512 H MET 63 HN MET 63 17.746 2.907 5.838 513 HA MET 63 HA MET 63 18.811 2.824 3.834 514 1HB MET 63 HB2 MET 63 20.507 0.493 4.634 515 2HB MET 63 HB3 MET 63 20.945 1.945 3.760 516 1HG MET 63 HG2 MET 63 20.643 3.183 5.956 517 2HG MET 63 HG3 MET 63 20.611 1.589 6.699 518 1HE MET 63 HE3 MET 63 22.257 -0.195 6.137 519 2HE MET 63 HE1 MET 63 23.153 0.107 4.652 520 3HE MET 63 HE2 MET 63 23.992 0.103 6.205 521 H GLU 64 HN GLU 64 16.559 0.804 4.521 522 HA GLU 64 HA GLU 64 17.081 -1.247 2.491 523 1HB GLU 64 HB2 GLU 64 14.736 -0.976 4.383 524 2HB GLU 64 HB3 GLU 64 15.076 -2.344 3.333 525 1HG GLU 64 HG2 GLU 64 17.340 -2.431 4.631 526 2HG GLU 64 HG3 GLU 64 16.476 -1.472 5.829 527 H MET 65 HN MET 65 16.324 -1.059 0.475 528 HA MET 65 HA MET 65 14.777 1.184 -0.366 529 1HB MET 65 HB2 MET 65 15.605 -1.351 -1.794 530 2HB MET 65 HB3 MET 65 14.711 -0.053 -2.578 531 1HG MET 65 HG2 MET 65 16.600 1.486 -1.870 532 2HG MET 65 HG3 MET 65 17.500 0.024 -1.468 533 1HE MET 65 HE1 MET 65 17.251 2.649 -3.923 534 2HE MET 65 HE2 MET 65 17.028 1.925 -5.516 535 3HE MET 65 HE3 MET 65 15.677 1.986 -4.383 536 H VAL 66 HN VAL 66 12.780 1.287 0.535 537 HA VAL 66 HA VAL 66 10.964 -1.008 0.168 538 HB VAL 66 HB VAL 66 9.656 0.019 2.087 539 1HG1 VAL 66 HG11 VAL 66 11.130 -1.947 2.349 540 2HG1 VAL 66 HG12 VAL 66 12.462 -0.866 2.753 541 3HG1 VAL 66 HG13 VAL 66 11.047 -0.951 3.798 542 1HG2 VAL 66 HG22 VAL 66 10.768 2.268 1.894 543 2HG2 VAL 66 HG23 VAL 66 10.687 1.602 3.525 544 3HG2 VAL 66 HG21 VAL 66 12.200 1.539 2.623 545 H TYR 67 HN TYR 67 8.695 -0.444 0.054 546 HA TYR 67 HA TYR 67 8.107 1.482 -1.993 547 1HB TYR 67 HB2 TYR 67 6.594 -0.634 -0.503 548 2HB TYR 67 HB3 TYR 67 5.665 0.661 -1.237 549 HD1 TYR 67 HD2 TYR 67 7.004 1.143 -3.764 550 HD2 TYR 67 HD1 TYR 67 6.164 -2.524 -1.772 551 HE1 TYR 67 HE2 TYR 67 6.978 -0.010 -5.927 552 HE2 TYR 67 HE1 TYR 67 6.131 -3.698 -3.925 553 HH TYR 67 HH TYR 67 7.447 -2.725 -6.579 554 H CYS 68 HN CYS 68 7.192 3.444 -1.731 555 HA CYS 68 HA CYS 68 5.918 4.172 0.773 556 1HB CYS 68 HB2 CYS 68 7.262 6.322 0.895 557 2HB CYS 68 HB3 CYS 68 8.140 4.861 1.327 558 HG CYS 68 HG CYS 68 9.810 5.666 -0.265 559 H LEU 69 HN LEU 69 4.866 6.312 0.608 560 HA LEU 69 HA LEU 69 3.901 6.744 -2.140 561 1HB LEU 69 HB2 LEU 69 2.404 6.037 -0.047 562 2HB LEU 69 HB3 LEU 69 2.399 7.771 0.211 563 HG LEU 69 HG LEU 69 1.512 8.078 -2.091 564 1HD1 LEU 69 HD13 LEU 69 2.176 5.298 -2.297 565 2HD1 LEU 69 HD11 LEU 69 0.444 5.501 -2.552 566 3HD1 LEU 69 HD12 LEU 69 1.590 6.397 -3.546 567 1HD2 LEU 69 HD21 LEU 69 0.087 7.932 -0.048 568 2HD2 LEU 69 HD22 LEU 69 -0.721 7.483 -1.549 569 3HD2 LEU 69 HD23 LEU 69 -0.179 6.233 -0.429 570 HA PRO 70 HA PRO 70 5.815 10.806 -1.966 571 1HB PRO 70 HB2 PRO 70 3.831 11.515 -4.058 572 2HB PRO 70 HB3 PRO 70 5.593 11.594 -4.104 573 1HG PRO 70 HG2 PRO 70 4.257 9.727 -5.465 574 2HG PRO 70 HG3 PRO 70 5.799 9.354 -4.669 575 1HD PRO 70 HD2 PRO 70 3.002 8.735 -3.763 576 2HD PRO 70 HD3 PRO 70 4.453 7.711 -3.738 577 H ALA 71 HN ALA 71 4.551 13.153 -2.525 578 HA ALA 71 HA ALA 71 2.953 13.641 -0.186 579 1HB ALA 71 HB1 ALA 71 3.805 15.414 -2.458 580 2HB ALA 71 HB2 ALA 71 2.858 15.972 -1.079 581 3HB ALA 71 HB3 ALA 71 4.483 15.336 -0.832 582 H GLU 72 HN GLU 72 1.394 11.985 -1.013 583 HA GLU 72 HA GLU 72 -0.606 11.302 -1.811 584 1HB GLU 72 HB2 GLU 72 -1.247 14.241 -1.579 585 2HB GLU 72 HB3 GLU 72 -2.428 12.937 -1.658 586 1HG GLU 72 HG2 GLU 72 -0.900 12.115 0.430 587 2HG GLU 72 HG3 GLU 72 -0.749 13.861 0.584 588 H LEU 73 HN LEU 73 1.212 11.530 -3.824 589 HA LEU 73 HA LEU 73 1.414 11.462 -6.066 590 1HB LEU 73 HB2 LEU 73 -0.920 10.394 -5.752 591 2HB LEU 73 HB3 LEU 73 -1.551 11.916 -6.353 592 HG LEU 73 HG LEU 73 -0.420 11.607 -8.474 593 1HD1 LEU 73 HD12 LEU 73 0.904 9.352 -7.042 594 2HD1 LEU 73 HD13 LEU 73 0.638 9.235 -8.783 595 3HD1 LEU 73 HD11 LEU 73 1.594 10.563 -8.128 596 1HD2 LEU 73 HD22 LEU 73 -2.628 10.400 -7.857 597 2HD2 LEU 73 HD23 LEU 73 -1.786 9.962 -9.342 598 3HD2 LEU 73 HD21 LEU 73 -1.644 8.938 -7.914 599 H GLY 74 HN GLY 74 2.576 13.479 -5.870 600 1HA GLY 74 HA1 GLY 74 1.156 15.937 -6.628 601 2HA GLY 74 HA2 GLY 74 2.833 15.809 -6.117 602 H VAL 75 HN VAL 75 0.676 14.829 -8.768 603 HA VAL 75 HA VAL 75 2.632 15.712 -10.731 604 HB VAL 75 HB VAL 75 3.178 13.303 -10.203 605 1HG1 VAL 75 HG23 VAL 75 0.694 12.687 -9.990 606 2HG1 VAL 75 HG21 VAL 75 0.725 12.548 -11.747 607 3HG1 VAL 75 HG22 VAL 75 1.780 11.534 -10.763 608 1HG2 VAL 75 HG11 VAL 75 3.837 14.343 -12.319 609 2HG2 VAL 75 HG12 VAL 75 3.486 12.625 -12.501 610 3HG2 VAL 75 HG13 VAL 75 2.312 13.823 -13.039 611 HA PRO 76 HA PRO 76 -1.270 16.796 -12.610 612 1HB PRO 76 HB2 PRO 76 -0.367 17.864 -14.917 613 2HB PRO 76 HB3 PRO 76 -0.113 18.644 -13.354 614 1HG PRO 76 HG2 PRO 76 1.778 17.012 -14.996 615 2HG PRO 76 HG3 PRO 76 2.084 18.494 -14.070 616 1HD PRO 76 HD2 PRO 76 2.683 15.949 -13.198 617 2HD PRO 76 HD3 PRO 76 2.438 17.344 -12.133 618 H THR 77 HN THR 77 -0.893 14.065 -12.751 619 HA THR 77 HA THR 77 -2.412 13.356 -15.015 620 HB THR 77 HB THR 77 -0.274 13.562 -16.227 621 HG1 THR 77 HG1 THR 77 -1.153 12.002 -17.298 622 1HG2 THR 77 HG22 THR 77 0.839 11.895 -14.048 623 2HG2 THR 77 HG21 THR 77 1.404 11.569 -15.687 624 3HG2 THR 77 HG23 THR 77 1.578 13.181 -14.999 625 H THR 78 HN THR 78 -1.381 10.569 -15.056 626 HA THR 78 HA THR 78 -1.567 9.571 -12.355 627 HB THR 78 HB THR 78 -3.920 9.884 -12.699 628 HG1 THR 78 HG1 THR 78 -3.068 7.713 -11.995 629 1HG2 THR 78 HG23 THR 78 -3.909 10.070 -15.178 630 2HG2 THR 78 HG22 THR 78 -3.804 8.313 -15.263 631 3HG2 THR 78 HG21 THR 78 -5.211 9.078 -14.524 No H/Q in entry = 631 Start of MODEL 23 1 1H MET 1 HT2 MET 1 -30.505 -1.774 5.766 2 2H MET 1 HT1 MET 1 -29.992 -3.402 5.528 3 3H MET 1 HT3 MET 1 -29.469 -2.531 6.914 4 HA MET 1 HA MET 1 -27.731 -2.665 5.343 5 1HB MET 1 HB2 MET 1 -29.935 -1.837 3.522 6 2HB MET 1 HB3 MET 1 -28.358 -1.138 3.183 7 1HG MET 1 HG2 MET 1 -28.732 -4.092 3.537 8 2HG MET 1 HG3 MET 1 -28.994 -3.294 1.990 9 1HE MET 1 HE2 MET 1 -26.551 -4.495 4.649 10 2HE MET 1 HE3 MET 1 -26.565 -5.592 3.270 11 3HE MET 1 HE1 MET 1 -25.095 -4.708 3.679 12 H ARG 2 HN ARG 2 -27.039 -1.412 7.102 13 HA ARG 2 HA ARG 2 -26.671 1.387 6.502 14 1HB ARG 2 HB2 ARG 2 -28.268 0.474 8.891 15 2HB ARG 2 HB3 ARG 2 -27.309 1.942 8.986 16 1HG ARG 2 HG2 ARG 2 -29.607 1.401 7.114 17 2HG ARG 2 HG3 ARG 2 -29.575 2.521 8.475 18 1HD ARG 2 HD2 ARG 2 -27.728 3.758 7.282 19 2HD ARG 2 HD3 ARG 2 -28.043 2.744 5.880 20 HE ARG 2 HE ARG 2 -29.510 5.031 6.670 21 1HH1 ARG 2 HH12 ARG 2 -29.870 1.865 5.239 22 2HH1 ARG 2 HH11 ARG 2 -31.301 2.281 4.339 23 1HH2 ARG 2 HH22 ARG 2 -31.381 5.606 5.502 24 2HH2 ARG 2 HH21 ARG 2 -32.157 4.424 4.479 25 H SER 3 HN SER 3 -24.834 2.235 7.481 26 HA SER 3 HA SER 3 -22.733 2.216 8.343 27 1HB SER 3 HB2 SER 3 -23.803 0.135 10.281 28 2HB SER 3 HB3 SER 3 -22.311 1.057 10.464 29 HG SER 3 HG SER 3 -24.862 1.760 11.069 30 H SER 4 HN SER 4 -22.392 1.182 6.153 31 HA SER 4 HA SER 4 -20.743 -1.190 6.497 32 1HB SER 4 HB2 SER 4 -23.039 -1.133 4.514 33 2HB SER 4 HB3 SER 4 -21.795 -2.381 4.598 34 HG SER 4 HG SER 4 -22.978 -1.948 7.019 35 H ALA 5 HN ALA 5 -18.905 -0.853 5.484 36 HA ALA 5 HA ALA 5 -18.731 0.337 2.865 37 1HB ALA 5 HB2 ALA 5 -18.850 2.327 4.414 38 2HB ALA 5 HB3 ALA 5 -17.308 1.799 5.087 39 3HB ALA 5 HB1 ALA 5 -17.425 2.245 3.385 40 H LYS 6 HN LYS 6 -17.937 -1.770 2.541 41 HA LYS 6 HA LYS 6 -15.899 -2.982 3.973 42 1HB LYS 6 HB2 LYS 6 -16.655 -3.469 1.097 43 2HB LYS 6 HB3 LYS 6 -15.756 -4.575 2.126 44 1HG LYS 6 HG2 LYS 6 -17.871 -4.422 3.660 45 2HG LYS 6 HG3 LYS 6 -18.658 -3.873 2.181 46 1HD LYS 6 HD2 LYS 6 -19.020 -6.150 2.072 47 2HD LYS 6 HD3 LYS 6 -17.540 -5.982 1.121 48 1HE LYS 6 HE2 LYS 6 -17.384 -7.871 2.662 49 2HE LYS 6 HE3 LYS 6 -16.208 -6.625 3.066 50 1HZ LYS 6 HZ3 LYS 6 -18.793 -6.486 4.430 51 2HZ LYS 6 HZ2 LYS 6 -17.753 -7.761 4.874 52 3HZ LYS 6 HZ1 LYS 6 -17.226 -6.153 5.017 53 H GLN 7 HN GLN 7 -15.629 -1.503 0.814 54 HA GLN 7 HA GLN 7 -12.763 -1.769 0.861 55 1HB GLN 7 HB2 GLN 7 -14.491 -1.871 -1.181 56 2HB GLN 7 HB3 GLN 7 -14.005 -0.185 -1.315 57 1HG GLN 7 HG2 GLN 7 -12.380 -1.072 -2.603 58 2HG GLN 7 HG3 GLN 7 -11.589 -1.280 -1.044 59 1HE2 GLN 7 HE22 GLN 7 -12.163 -4.843 -0.991 60 2HE2 GLN 7 HE21 GLN 7 -12.179 -3.466 0.048 61 H GLU 8 HN GLU 8 -14.838 0.681 1.966 62 HA GLU 8 HA GLU 8 -12.979 2.876 1.523 63 1HB GLU 8 HB2 GLU 8 -15.434 2.692 3.273 64 2HB GLU 8 HB3 GLU 8 -14.486 4.149 3.030 65 1HG GLU 8 HG2 GLU 8 -15.025 3.444 0.457 66 2HG GLU 8 HG3 GLU 8 -16.473 2.873 1.278 67 H GLU 9 HN GLU 9 -11.884 0.611 2.729 68 HA GLU 9 HA GLU 9 -10.752 1.752 5.165 69 1HB GLU 9 HB2 GLU 9 -12.103 -0.950 5.026 70 2HB GLU 9 HB3 GLU 9 -10.894 -0.567 6.244 71 1HG GLU 9 HG2 GLU 9 -12.410 1.440 6.807 72 2HG GLU 9 HG3 GLU 9 -13.637 0.576 5.887 73 H LEU 10 HN LEU 10 -10.725 -0.503 2.510 74 HA LEU 10 HA LEU 10 -8.174 -1.667 2.942 75 1HB LEU 10 HB2 LEU 10 -9.735 -2.789 1.526 76 2HB LEU 10 HB3 LEU 10 -9.909 -1.390 0.488 77 HG LEU 10 HG LEU 10 -7.637 -1.706 -0.365 78 1HD1 LEU 10 HD11 LEU 10 -7.556 -4.075 1.497 79 2HD1 LEU 10 HD12 LEU 10 -6.379 -3.742 0.226 80 3HD1 LEU 10 HD13 LEU 10 -6.553 -2.624 1.577 81 1HD2 LEU 10 HD22 LEU 10 -9.292 -4.224 -0.458 82 2HD2 LEU 10 HD23 LEU 10 -9.457 -2.823 -1.516 83 3HD2 LEU 10 HD21 LEU 10 -7.993 -3.802 -1.573 84 H VAL 11 HN VAL 11 -9.234 1.242 1.201 85 HA VAL 11 HA VAL 11 -6.698 1.723 -0.035 86 HB VAL 11 HB VAL 11 -9.085 3.546 0.371 87 1HG1 VAL 11 HG11 VAL 11 -6.405 4.078 -0.833 88 2HG1 VAL 11 HG12 VAL 11 -7.833 4.804 -1.573 89 3HG1 VAL 11 HG13 VAL 11 -7.450 5.138 0.115 90 1HG2 VAL 11 HG21 VAL 11 -8.142 1.773 -1.843 91 2HG2 VAL 11 HG22 VAL 11 -9.758 1.961 -1.164 92 3HG2 VAL 11 HG23 VAL 11 -9.091 3.213 -2.212 93 H LYS 12 HN LYS 12 -8.377 3.327 2.724 94 HA LYS 12 HA LYS 12 -6.358 5.077 3.436 95 1HB LYS 12 HB2 LYS 12 -7.338 5.052 5.698 96 2HB LYS 12 HB3 LYS 12 -8.512 5.279 4.419 97 1HG LYS 12 HG2 LYS 12 -9.639 3.805 5.702 98 2HG LYS 12 HG3 LYS 12 -8.766 2.676 4.675 99 1HD LYS 12 HD2 LYS 12 -8.045 1.757 6.596 100 2HD LYS 12 HD3 LYS 12 -6.959 3.145 6.646 101 1HE LYS 12 HE2 LYS 12 -8.017 2.968 8.783 102 2HE LYS 12 HE3 LYS 12 -8.686 4.374 7.961 103 1HZ LYS 12 HZ1 LYS 12 -10.007 1.711 7.955 104 2HZ LYS 12 HZ3 LYS 12 -10.333 2.902 9.127 105 3HZ LYS 12 HZ2 LYS 12 -10.680 3.209 7.488 106 H ALA 13 HN ALA 13 -6.851 1.772 4.501 107 HA ALA 13 HA ALA 13 -4.592 1.516 6.161 108 1HB ALA 13 HB3 ALA 13 -6.407 -0.100 6.212 109 2HB ALA 13 HB1 ALA 13 -6.019 -0.623 4.572 110 3HB ALA 13 HB2 ALA 13 -4.877 -0.912 5.887 111 H PHE 14 HN PHE 14 -5.007 0.725 2.698 112 HA PHE 14 HA PHE 14 -2.492 -0.292 2.078 113 1HB PHE 14 HB2 PHE 14 -4.539 -0.153 0.568 114 2HB PHE 14 HB3 PHE 14 -4.104 1.493 0.251 115 HD1 PHE 14 HD2 PHE 14 -3.132 -2.001 -0.266 116 HD2 PHE 14 HD1 PHE 14 -2.283 2.065 -1.210 117 HE1 PHE 14 HE2 PHE 14 -1.650 -2.732 -2.075 118 HE2 PHE 14 HE1 PHE 14 -0.796 1.323 -3.038 119 HZ PHE 14 HZ PHE 14 -0.487 -1.072 -3.458 120 H LYS 15 HN LYS 15 -3.540 3.068 1.494 121 HA LYS 15 HA LYS 15 -1.147 4.262 0.870 122 1HB LYS 15 HB2 LYS 15 -3.192 5.604 2.650 123 2HB LYS 15 HB3 LYS 15 -2.135 6.362 1.469 124 1HG LYS 15 HG2 LYS 15 -4.144 4.356 0.556 125 2HG LYS 15 HG3 LYS 15 -4.668 5.977 0.960 126 1HD LYS 15 HD2 LYS 15 -2.407 6.309 -0.641 127 2HD LYS 15 HD3 LYS 15 -3.283 4.965 -1.365 128 1HE LYS 15 HE2 LYS 15 -3.911 7.189 -2.314 129 2HE LYS 15 HE3 LYS 15 -5.260 6.295 -1.613 130 1HZ LYS 15 HZ2 LYS 15 -3.803 8.527 -0.290 131 2HZ LYS 15 HZ1 LYS 15 -5.331 8.626 -1.030 132 3HZ LYS 15 HZ3 LYS 15 -5.124 7.675 0.366 133 H ALA 16 HN ALA 16 -2.450 3.739 4.133 134 HA ALA 16 HA ALA 16 -0.433 5.073 5.573 135 1HB ALA 16 HB1 ALA 16 -2.284 2.857 6.438 136 2HB ALA 16 HB2 ALA 16 -1.265 3.798 7.525 137 3HB ALA 16 HB3 ALA 16 -2.541 4.592 6.608 138 H LEU 17 HN LEU 17 -0.735 1.631 4.654 139 HA LEU 17 HA LEU 17 1.489 0.605 6.011 140 1HB LEU 17 HB2 LEU 17 0.289 -0.200 3.351 141 2HB LEU 17 HB3 LEU 17 1.546 -1.116 4.148 142 HG LEU 17 HG LEU 17 -1.332 -0.848 4.840 143 1HD1 LEU 17 HD12 LEU 17 0.627 -3.125 4.741 144 2HD1 LEU 17 HD13 LEU 17 -1.055 -3.277 5.242 145 3HD1 LEU 17 HD11 LEU 17 -0.666 -2.773 3.598 146 1HD2 LEU 17 HD22 LEU 17 0.836 -1.460 6.829 147 2HD2 LEU 17 HD23 LEU 17 -0.329 -0.137 6.886 148 3HD2 LEU 17 HD21 LEU 17 -0.878 -1.799 7.072 149 H LEU 18 HN LEU 18 1.278 2.032 2.779 150 HA LEU 18 HA LEU 18 4.028 1.726 2.097 151 1HB LEU 18 HB2 LEU 18 2.098 3.805 1.055 152 2HB LEU 18 HB3 LEU 18 3.570 3.258 0.277 153 HG LEU 18 HG LEU 18 1.289 1.352 0.789 154 1HD1 LEU 18 HD13 LEU 18 0.728 3.531 -0.562 155 2HD1 LEU 18 HD11 LEU 18 1.618 2.704 -1.844 156 3HD1 LEU 18 HD12 LEU 18 0.201 1.949 -1.124 157 1HD2 LEU 18 HD22 LEU 18 3.556 0.489 0.199 158 2HD2 LEU 18 HD23 LEU 18 2.294 0.083 -0.970 159 3HD2 LEU 18 HD21 LEU 18 3.432 1.384 -1.323 160 H LYS 19 HN LYS 19 2.193 4.560 3.267 161 HA LYS 19 HA LYS 19 4.337 6.359 3.295 162 1HB LYS 19 HB2 LYS 19 1.752 6.314 4.847 163 2HB LYS 19 HB3 LYS 19 2.889 7.653 4.931 164 1HG LYS 19 HG2 LYS 19 2.659 8.026 2.532 165 2HG LYS 19 HG3 LYS 19 1.545 6.658 2.412 166 1HD LYS 19 HD2 LYS 19 -0.048 7.774 3.863 167 2HD LYS 19 HD3 LYS 19 1.078 9.108 4.125 168 1HE LYS 19 HE2 LYS 19 0.890 9.829 1.858 169 2HE LYS 19 HE3 LYS 19 0.017 8.370 1.409 170 1HZ LYS 19 HZ3 LYS 19 -1.686 9.182 3.156 171 2HZ LYS 19 HZ2 LYS 19 -0.937 10.696 2.938 172 3HZ LYS 19 HZ1 LYS 19 -1.661 9.904 1.616 173 H GLU 20 HN GLU 20 3.476 3.912 5.660 174 HA GLU 20 HA GLU 20 5.119 5.024 7.762 175 1HB GLU 20 HB2 GLU 20 3.663 2.412 7.419 176 2HB GLU 20 HB3 GLU 20 4.793 2.654 8.748 177 1HG GLU 20 HG2 GLU 20 3.423 4.773 9.257 178 2HG GLU 20 HG3 GLU 20 2.199 4.063 8.209 179 H GLU 21 HN GLU 21 5.718 3.251 4.923 180 HA GLU 21 HA GLU 21 7.565 2.381 3.963 181 1HB GLU 21 HB2 GLU 21 9.148 3.752 6.147 182 2HB GLU 21 HB3 GLU 21 9.688 3.335 4.528 183 1HG GLU 21 HG2 GLU 21 8.108 4.949 3.585 184 2HG GLU 21 HG3 GLU 21 7.584 5.384 5.206 185 H LYS 22 HN LYS 22 6.554 0.320 5.001 186 HA LYS 22 HA LYS 22 8.761 -1.106 6.305 187 1HB LYS 22 HB2 LYS 22 6.965 -2.298 7.742 188 2HB LYS 22 HB3 LYS 22 7.515 -0.705 8.219 189 1HG LYS 22 HG2 LYS 22 5.542 0.316 7.695 190 2HG LYS 22 HG3 LYS 22 5.093 -0.911 6.510 191 1HD LYS 22 HD2 LYS 22 3.941 -2.058 8.039 192 2HD LYS 22 HD3 LYS 22 5.331 -2.099 9.125 193 1HE LYS 22 HE2 LYS 22 3.571 0.320 8.866 194 2HE LYS 22 HE3 LYS 22 3.197 -0.988 9.984 195 1HZ LYS 22 HZ3 LYS 22 5.379 -0.645 11.024 196 2HZ LYS 22 HZ2 LYS 22 5.680 0.665 9.983 197 3HZ LYS 22 HZ1 LYS 22 4.410 0.747 11.119 198 H PHE 23 HN PHE 23 7.616 -1.112 3.543 199 HA PHE 23 HA PHE 23 7.376 -4.015 3.319 200 1HB PHE 23 HB2 PHE 23 5.393 -2.180 1.963 201 2HB PHE 23 HB3 PHE 23 5.479 -3.928 1.793 202 HD1 PHE 23 HD2 PHE 23 4.940 -5.389 3.707 203 HD2 PHE 23 HD1 PHE 23 4.346 -1.185 3.872 204 HE1 PHE 23 HE2 PHE 23 3.503 -5.680 5.669 205 HE2 PHE 23 HE1 PHE 23 2.908 -1.466 5.848 206 HZ PHE 23 HZ PHE 23 2.472 -3.716 6.742 207 H SER 24 HN SER 24 8.726 -4.707 1.838 208 HA SER 24 HA SER 24 9.855 -2.817 -0.100 209 1HB SER 24 HB2 SER 24 11.466 -4.983 -0.343 210 2HB SER 24 HB3 SER 24 11.725 -3.690 0.822 211 HG SER 24 HG SER 24 10.555 -6.239 1.252 212 H SER 25 HN SER 25 7.739 -5.503 -0.031 213 HA SER 25 HA SER 25 7.714 -5.525 -2.972 214 1HB SER 25 HB2 SER 25 7.260 -8.059 -2.800 215 2HB SER 25 HB3 SER 25 8.919 -7.514 -2.570 216 HG SER 25 HG SER 25 8.113 -9.079 -0.989 217 H GLN 26 HN GLN 26 5.721 -6.487 -3.854 218 HA GLN 26 HA GLN 26 3.386 -5.300 -2.760 219 1HB GLN 26 HB2 GLN 26 3.501 -7.499 -4.823 220 2HB GLN 26 HB3 GLN 26 2.242 -6.337 -4.584 221 1HG GLN 26 HG2 GLN 26 3.227 -5.317 -6.326 222 2HG GLN 26 HG3 GLN 26 4.216 -4.626 -5.046 223 1HE2 GLN 26 HE22 GLN 26 6.448 -5.831 -7.731 224 2HE2 GLN 26 HE21 GLN 26 5.150 -4.694 -7.605 225 H GLY 27 HN GLY 27 4.237 -8.751 -3.139 226 1HA GLY 27 HA1 GLY 27 2.184 -9.994 -1.825 227 2HA GLY 27 HA2 GLY 27 3.829 -10.587 -1.804 228 H GLU 28 HN GLU 28 4.777 -8.223 -0.270 229 HA GLU 28 HA GLU 28 4.407 -9.249 2.355 230 1HB GLU 28 HB2 GLU 28 6.365 -7.856 1.200 231 2HB GLU 28 HB3 GLU 28 5.496 -6.499 1.894 232 1HG GLU 28 HG2 GLU 28 5.847 -7.263 4.094 233 2HG GLU 28 HG3 GLU 28 6.318 -8.868 3.547 234 H ILE 29 HN ILE 29 3.247 -6.292 0.710 235 HA ILE 29 HA ILE 29 1.683 -5.461 2.988 236 HB ILE 29 HB ILE 29 2.062 -3.514 2.031 237 1HG1 ILE 29 HG12 ILE 29 0.029 -4.275 -0.062 238 2HG1 ILE 29 HG13 ILE 29 -0.354 -3.698 1.557 239 1HG2 ILE 29 HG23 ILE 29 3.705 -4.461 0.498 240 2HG2 ILE 29 HG21 ILE 29 2.422 -4.781 -0.666 241 3HG2 ILE 29 HG22 ILE 29 2.821 -3.125 -0.232 242 1HD1 ILE 29 HD11 ILE 29 1.345 -1.760 0.651 243 2HD1 ILE 29 HD12 ILE 29 0.476 -2.220 -0.816 244 3HD1 ILE 29 HD13 ILE 29 -0.417 -1.683 0.607 245 H VAL 30 HN VAL 30 1.205 -7.590 0.338 246 HA VAL 30 HA VAL 30 -1.638 -7.572 0.148 247 HB VAL 30 HB VAL 30 0.342 -9.807 -0.391 248 1HG1 VAL 30 HG11 VAL 30 -2.620 -9.694 -0.728 249 2HG1 VAL 30 HG12 VAL 30 -1.638 -10.678 -1.810 250 3HG1 VAL 30 HG13 VAL 30 -1.618 -10.985 -0.076 251 1HG2 VAL 30 HG23 VAL 30 0.176 -7.569 -1.798 252 2HG2 VAL 30 HG21 VAL 30 0.457 -9.129 -2.556 253 3HG2 VAL 30 HG22 VAL 30 -1.157 -8.436 -2.547 254 H ALA 31 HN ALA 31 0.619 -9.695 1.912 255 HA ALA 31 HA ALA 31 -1.328 -11.099 3.408 256 1HB ALA 31 HB2 ALA 31 0.942 -11.945 3.075 257 2HB ALA 31 HB3 ALA 31 1.587 -10.632 4.062 258 3HB ALA 31 HB1 ALA 31 0.544 -11.854 4.791 259 H ALA 32 HN ALA 32 0.451 -8.101 4.028 260 HA ALA 32 HA ALA 32 -0.148 -7.733 6.732 261 1HB ALA 32 HB1 ALA 32 1.479 -6.393 5.412 262 2HB ALA 32 HB2 ALA 32 0.123 -5.529 4.689 263 3HB ALA 32 HB3 ALA 32 0.412 -5.424 6.427 264 H LEU 33 HN LEU 33 -1.976 -6.542 3.879 265 HA LEU 33 HA LEU 33 -4.057 -5.436 5.504 266 1HB LEU 33 HB2 LEU 33 -3.964 -5.925 2.533 267 2HB LEU 33 HB3 LEU 33 -5.293 -5.113 3.362 268 HG LEU 33 HG LEU 33 -2.443 -4.120 3.530 269 1HD1 LEU 33 HD11 LEU 33 -4.549 -3.333 1.533 270 2HD1 LEU 33 HD12 LEU 33 -3.078 -2.423 1.846 271 3HD1 LEU 33 HD13 LEU 33 -2.982 -4.061 1.195 272 1HD2 LEU 33 HD22 LEU 33 -4.985 -3.326 4.665 273 2HD2 LEU 33 HD23 LEU 33 -3.353 -2.794 5.062 274 3HD2 LEU 33 HD21 LEU 33 -4.236 -2.021 3.750 275 H GLN 34 HN GLN 34 -3.490 -8.602 4.119 276 HA GLN 34 HA GLN 34 -6.140 -9.612 4.317 277 1HB GLN 34 HB2 GLN 34 -3.429 -10.923 4.391 278 2HB GLN 34 HB3 GLN 34 -4.883 -11.865 4.691 279 1HG GLN 34 HG2 GLN 34 -5.734 -11.383 2.511 280 2HG GLN 34 HG3 GLN 34 -4.430 -10.238 2.204 281 1HE2 GLN 34 HE22 GLN 34 -3.343 -13.171 0.415 282 2HE2 GLN 34 HE21 GLN 34 -4.467 -11.865 0.281 283 H GLU 35 HN GLU 35 -3.464 -9.392 6.621 284 HA GLU 35 HA GLU 35 -4.789 -10.694 8.794 285 1HB GLU 35 HB2 GLU 35 -2.413 -8.819 8.723 286 2HB GLU 35 HB3 GLU 35 -2.963 -9.652 10.169 287 1HG GLU 35 HG2 GLU 35 -2.507 -11.800 9.140 288 2HG GLU 35 HG3 GLU 35 -2.039 -11.008 7.641 289 H GLN 36 HN GLN 36 -4.565 -7.350 7.681 290 HA GLN 36 HA GLN 36 -5.578 -6.019 9.932 291 1HB GLN 36 HB2 GLN 36 -5.598 -5.372 6.999 292 2HB GLN 36 HB3 GLN 36 -6.411 -4.333 8.150 293 1HG GLN 36 HG2 GLN 36 -3.643 -5.036 8.854 294 2HG GLN 36 HG3 GLN 36 -3.823 -4.068 7.392 295 1HE2 GLN 36 HE22 GLN 36 -4.192 -1.130 9.187 296 2HE2 GLN 36 HE21 GLN 36 -3.687 -1.955 7.754 297 H GLY 37 HN GLY 37 -7.345 -7.244 7.077 298 1HA GLY 37 HA1 GLY 37 -9.508 -8.374 8.163 299 2HA GLY 37 HA2 GLY 37 -9.904 -6.672 8.366 300 H PHE 38 HN PHE 38 -8.104 -7.752 5.559 301 HA PHE 38 HA PHE 38 -10.510 -7.244 3.908 302 1HB PHE 38 HB2 PHE 38 -7.615 -6.732 3.202 303 2HB PHE 38 HB3 PHE 38 -9.021 -6.336 2.209 304 HD1 PHE 38 HD1 PHE 38 -10.717 -4.696 3.176 305 HD2 PHE 38 HD2 PHE 38 -6.860 -5.276 4.851 306 HE1 PHE 38 HE1 PHE 38 -10.907 -2.563 4.374 307 HE2 PHE 38 HE2 PHE 38 -7.042 -3.153 6.052 308 HZ PHE 38 HZ PHE 38 -9.054 -1.793 5.807 309 H ASP 39 HN ASP 39 -11.296 -9.043 3.129 310 HA ASP 39 HA ASP 39 -9.585 -11.328 2.547 311 1HB ASP 39 HB2 ASP 39 -11.804 -11.448 3.841 312 2HB ASP 39 HB3 ASP 39 -12.560 -11.269 2.269 313 H ASN 40 HN ASN 40 -11.134 -8.831 0.950 314 HA ASN 40 HA ASN 40 -11.146 -10.102 -1.671 315 1HB ASN 40 HB2 ASN 40 -13.031 -8.574 -0.894 316 2HB ASN 40 HB3 ASN 40 -11.896 -7.237 -1.014 317 1HD2 ASN 40 HD22 ASN 40 -13.033 -9.119 -4.479 318 2HD2 ASN 40 HD21 ASN 40 -12.830 -10.024 -3.023 319 H ILE 41 HN ILE 41 -8.677 -10.190 -0.920 320 HA ILE 41 HA ILE 41 -7.298 -8.033 -2.377 321 HB ILE 41 HB ILE 41 -7.077 -8.644 0.456 322 1HG1 ILE 41 HG12 ILE 41 -7.397 -6.418 -0.823 323 2HG1 ILE 41 HG13 ILE 41 -6.348 -6.440 0.582 324 1HG2 ILE 41 HG21 ILE 41 -5.086 -9.933 -0.168 325 2HG2 ILE 41 HG22 ILE 41 -4.446 -8.518 -1.007 326 3HG2 ILE 41 HG23 ILE 41 -4.682 -8.476 0.734 327 1HD1 ILE 41 HD13 ILE 41 -5.056 -6.917 -2.015 328 2HD1 ILE 41 HD11 ILE 41 -5.645 -5.289 -1.691 329 3HD1 ILE 41 HD12 ILE 41 -4.477 -6.039 -0.603 330 H ASN 42 HN ASN 42 -5.101 -8.588 -2.971 331 HA ASN 42 HA ASN 42 -4.018 -11.159 -2.914 332 1HB ASN 42 HB2 ASN 42 -4.328 -11.847 -5.324 333 2HB ASN 42 HB3 ASN 42 -5.781 -11.967 -4.347 334 1HD2 ASN 42 HD22 ASN 42 -7.627 -10.046 -6.544 335 2HD2 ASN 42 HD21 ASN 42 -7.548 -11.268 -5.324 336 H GLN 43 HN GLN 43 -2.280 -11.398 -4.720 337 HA GLN 43 HA GLN 43 -0.465 -9.307 -4.517 338 1HB GLN 43 HB2 GLN 43 0.021 -11.707 -5.115 339 2HB GLN 43 HB3 GLN 43 -0.509 -11.348 -6.751 340 1HG GLN 43 HG2 GLN 43 1.283 -9.719 -7.000 341 2HG GLN 43 HG3 GLN 43 1.788 -9.997 -5.331 342 1HE2 GLN 43 HE22 GLN 43 2.503 -12.865 -8.165 343 2HE2 GLN 43 HE21 GLN 43 1.184 -11.759 -8.339 344 H SER 44 HN SER 44 -2.662 -10.035 -7.219 345 HA SER 44 HA SER 44 -1.736 -8.045 -8.968 346 1HB SER 44 HB2 SER 44 -4.551 -9.162 -8.848 347 2HB SER 44 HB3 SER 44 -3.712 -8.508 -10.248 348 HG SER 44 HG SER 44 -3.127 -10.914 -8.850 349 H LYS 45 HN LYS 45 -4.357 -7.995 -6.566 350 HA LYS 45 HA LYS 45 -5.318 -5.405 -7.137 351 1HB LYS 45 HB2 LYS 45 -6.193 -7.390 -5.551 352 2HB LYS 45 HB3 LYS 45 -5.431 -6.394 -4.320 353 1HG LYS 45 HG2 LYS 45 -7.056 -4.850 -4.396 354 2HG LYS 45 HG3 LYS 45 -7.179 -4.913 -6.154 355 1HD LYS 45 HD2 LYS 45 -8.572 -6.849 -6.075 356 2HD LYS 45 HD3 LYS 45 -8.274 -7.065 -4.348 357 1HE LYS 45 HE2 LYS 45 -10.507 -6.076 -4.916 358 2HE LYS 45 HE3 LYS 45 -9.535 -5.123 -3.795 359 1HZ LYS 45 HZ2 LYS 45 -9.567 -4.599 -6.717 360 2HZ LYS 45 HZ1 LYS 45 -10.676 -3.871 -5.648 361 3HZ LYS 45 HZ3 LYS 45 -9.007 -3.576 -5.474 362 H VAL 46 HN VAL 46 -2.646 -6.515 -5.157 363 HA VAL 46 HA VAL 46 -2.150 -3.965 -3.905 364 HB VAL 46 HB VAL 46 -0.701 -6.589 -3.887 365 1HG1 VAL 46 HG13 VAL 46 0.239 -3.995 -2.667 366 2HG1 VAL 46 HG11 VAL 46 0.831 -5.578 -2.189 367 3HG1 VAL 46 HG12 VAL 46 1.096 -5.005 -3.829 368 1HG2 VAL 46 HG21 VAL 46 -2.451 -5.025 -2.049 369 2HG2 VAL 46 HG22 VAL 46 -2.414 -6.754 -2.373 370 3HG2 VAL 46 HG23 VAL 46 -1.191 -6.026 -1.335 371 H SER 47 HN SER 47 -0.637 -5.832 -6.560 372 HA SER 47 HA SER 47 1.399 -3.903 -7.081 373 1HB SER 47 HB2 SER 47 1.698 -5.110 -9.226 374 2HB SER 47 HB3 SER 47 1.642 -6.206 -7.847 375 HG SER 47 HG SER 47 -0.177 -5.850 -9.933 376 H ARG 48 HN ARG 48 -1.901 -4.345 -8.282 377 HA ARG 48 HA ARG 48 -1.759 -2.313 -10.283 378 1HB ARG 48 HB2 ARG 48 -4.064 -3.710 -8.936 379 2HB ARG 48 HB3 ARG 48 -4.329 -2.389 -10.063 380 1HG ARG 48 HG2 ARG 48 -2.729 -3.852 -11.592 381 2HG ARG 48 HG3 ARG 48 -3.363 -5.148 -10.577 382 1HD ARG 48 HD2 ARG 48 -4.786 -3.376 -12.518 383 2HD ARG 48 HD3 ARG 48 -4.870 -5.127 -12.322 384 HE ARG 48 HE ARG 48 -5.926 -3.860 -10.019 385 1HH1 ARG 48 HH12 ARG 48 -6.699 -4.426 -13.390 386 2HH1 ARG 48 HH11 ARG 48 -8.423 -4.365 -13.133 387 1HH2 ARG 48 HH22 ARG 48 -8.152 -3.774 -9.675 388 2HH2 ARG 48 HH21 ARG 48 -9.252 -3.987 -11.004 389 H MET 49 HN MET 49 -2.834 -2.309 -6.878 390 HA MET 49 HA MET 49 -3.701 0.391 -6.851 391 1HB MET 49 HB2 MET 49 -3.016 -1.586 -4.720 392 2HB MET 49 HB3 MET 49 -3.141 0.109 -4.280 393 1HG MET 49 HG2 MET 49 -5.413 0.125 -5.331 394 2HG MET 49 HG3 MET 49 -5.280 -1.621 -5.477 395 1HE MET 49 HE1 MET 49 -5.637 -3.288 -3.624 396 2HE MET 49 HE2 MET 49 -4.091 -2.799 -2.937 397 3HE MET 49 HE3 MET 49 -5.513 -2.934 -1.903 398 H LEU 50 HN LEU 50 -0.537 -1.100 -6.291 399 HA LEU 50 HA LEU 50 0.819 1.183 -5.330 400 1HB LEU 50 HB2 LEU 50 1.675 -1.355 -6.661 401 2HB LEU 50 HB3 LEU 50 2.840 -0.054 -6.525 402 HG LEU 50 HG LEU 50 1.369 -0.871 -4.074 403 1HD1 LEU 50 HD12 LEU 50 3.334 -2.561 -5.527 404 2HD1 LEU 50 HD13 LEU 50 3.430 -2.486 -3.768 405 3HD1 LEU 50 HD11 LEU 50 1.947 -3.032 -4.546 406 1HD2 LEU 50 HD21 LEU 50 4.053 0.261 -4.713 407 2HD2 LEU 50 HD22 LEU 50 2.758 0.936 -3.721 408 3HD2 LEU 50 HD23 LEU 50 3.690 -0.438 -3.137 409 H THR 51 HN THR 51 0.282 -0.039 -8.622 410 HA THR 51 HA THR 51 1.696 2.053 -9.967 411 HB THR 51 HB THR 51 -0.506 0.368 -11.186 412 HG1 THR 51 HG1 THR 51 0.910 -1.038 -10.061 413 1HG2 THR 51 HG21 THR 51 0.544 2.130 -12.589 414 2HG2 THR 51 HG23 THR 51 2.086 1.294 -12.399 415 3HG2 THR 51 HG22 THR 51 0.739 0.491 -13.209 416 H LYS 52 HN LYS 52 -1.734 1.445 -9.273 417 HA LYS 52 HA LYS 52 -2.911 3.610 -10.577 418 1HB LYS 52 HB2 LYS 52 -4.283 1.837 -9.776 419 2HB LYS 52 HB3 LYS 52 -3.695 2.019 -8.134 420 1HG LYS 52 HG2 LYS 52 -5.005 4.437 -9.065 421 2HG LYS 52 HG3 LYS 52 -6.051 3.021 -9.171 422 1HD LYS 52 HD2 LYS 52 -5.612 2.492 -6.824 423 2HD LYS 52 HD3 LYS 52 -4.528 3.876 -6.708 424 1HE LYS 52 HE2 LYS 52 -6.769 4.313 -5.765 425 2HE LYS 52 HE3 LYS 52 -6.345 5.408 -7.073 426 1HZ LYS 52 HZ2 LYS 52 -7.818 2.975 -7.763 427 2HZ LYS 52 HZ1 LYS 52 -8.670 4.195 -6.936 428 3HZ LYS 52 HZ3 LYS 52 -7.921 4.543 -8.429 429 H PHE 53 HN PHE 53 -1.848 3.397 -7.175 430 HA PHE 53 HA PHE 53 -2.471 6.144 -6.616 431 1HB PHE 53 HB2 PHE 53 -0.994 4.017 -5.052 432 2HB PHE 53 HB3 PHE 53 -1.189 5.666 -4.461 433 HD1 PHE 53 HD1 PHE 53 -3.785 6.508 -4.810 434 HD2 PHE 53 HD2 PHE 53 -2.492 2.505 -4.118 435 HE1 PHE 53 HE1 PHE 53 -5.996 5.949 -3.892 436 HE2 PHE 53 HE2 PHE 53 -4.695 1.949 -3.195 437 HZ PHE 53 HZ PHE 53 -6.458 3.667 -3.085 438 H GLY 54 HN GLY 54 0.341 4.460 -7.797 439 1HA GLY 54 HA1 GLY 54 2.192 5.409 -8.837 440 2HA GLY 54 HA2 GLY 54 1.670 6.993 -8.284 441 H ALA 55 HN ALA 55 2.550 3.966 -6.597 442 HA ALA 55 HA ALA 55 3.996 5.429 -4.569 443 1HB ALA 55 HB2 ALA 55 2.659 3.421 -4.055 444 2HB ALA 55 HB3 ALA 55 3.792 2.450 -4.995 445 3HB ALA 55 HB1 ALA 55 4.336 3.270 -3.530 446 H VAL 56 HN VAL 56 6.199 5.244 -4.073 447 HA VAL 56 HA VAL 56 7.967 4.212 -6.207 448 HB VAL 56 HB VAL 56 9.523 6.043 -5.832 449 1HG1 VAL 56 HG13 VAL 56 7.523 6.265 -7.427 450 2HG1 VAL 56 HG11 VAL 56 6.850 7.363 -6.222 451 3HG1 VAL 56 HG12 VAL 56 8.391 7.735 -6.990 452 1HG2 VAL 56 HG21 VAL 56 7.660 6.720 -3.607 453 2HG2 VAL 56 HG22 VAL 56 9.422 6.797 -3.676 454 3HG2 VAL 56 HG23 VAL 56 8.452 8.047 -4.456 455 H ARG 57 HN ARG 57 10.181 3.693 -5.383 456 HA ARG 57 HA ARG 57 10.019 2.615 -2.637 457 1HB ARG 57 HB2 ARG 57 11.651 1.736 -5.017 458 2HB ARG 57 HB3 ARG 57 11.962 1.159 -3.387 459 1HG ARG 57 HG2 ARG 57 9.312 0.668 -3.591 460 2HG ARG 57 HG3 ARG 57 9.806 0.455 -5.267 461 1HD ARG 57 HD2 ARG 57 10.909 -0.964 -2.843 462 2HD ARG 57 HD3 ARG 57 9.923 -1.667 -4.127 463 HE ARG 57 HE ARG 57 12.063 -0.736 -5.485 464 1HH1 ARG 57 HH12 ARG 57 11.742 -2.789 -2.672 465 2HH1 ARG 57 HH11 ARG 57 13.191 -3.689 -2.989 466 1HH2 ARG 57 HH22 ARG 57 13.968 -1.892 -5.918 467 2HH2 ARG 57 HH21 ARG 57 14.473 -3.176 -4.846 468 H THR 58 HN THR 58 11.650 3.003 -1.168 469 HA THR 58 HA THR 58 14.013 4.479 -1.889 470 HB THR 58 HB THR 58 11.994 6.159 -1.695 471 HG1 THR 58 HG1 THR 58 14.170 6.766 -1.935 472 1HG2 THR 58 HG21 THR 58 11.434 5.273 0.658 473 2HG2 THR 58 HG23 THR 58 12.791 6.275 1.175 474 3HG2 THR 58 HG22 THR 58 11.415 7.010 0.355 475 H ARG 59 HN ARG 59 15.172 5.209 0.235 476 HA ARG 59 HA ARG 59 15.397 2.843 1.882 477 1HB ARG 59 HB2 ARG 59 17.526 3.571 1.606 478 2HB ARG 59 HB3 ARG 59 17.035 5.236 1.329 479 1HG ARG 59 HG2 ARG 59 16.999 5.730 3.628 480 2HG ARG 59 HG3 ARG 59 17.035 4.029 4.076 481 1HD ARG 59 HD2 ARG 59 19.194 5.230 4.419 482 2HD ARG 59 HD3 ARG 59 19.304 3.795 3.402 483 HE ARG 59 HE ARG 59 20.066 5.127 1.715 484 1HH1 ARG 59 HH12 ARG 59 18.254 7.150 3.939 485 2HH1 ARG 59 HH11 ARG 59 18.603 8.619 3.078 486 1HH2 ARG 59 HH22 ARG 59 20.528 7.048 0.608 487 2HH2 ARG 59 HH21 ARG 59 19.907 8.566 1.197 488 H ASN 60 HN ASN 60 14.758 2.602 3.975 489 HA ASN 60 HA ASN 60 13.244 4.810 5.209 490 1HB ASN 60 HB2 ASN 60 12.105 3.129 6.571 491 2HB ASN 60 HB3 ASN 60 11.925 2.788 4.860 492 1HD2 ASN 60 HD22 ASN 60 12.517 -0.468 6.227 493 2HD2 ASN 60 HD21 ASN 60 11.271 0.723 6.049 494 H ALA 61 HN ALA 61 13.255 3.861 7.850 495 HA ALA 61 HA ALA 61 15.495 5.096 8.917 496 1HB ALA 61 HB2 ALA 61 13.430 4.788 10.164 497 2HB ALA 61 HB3 ALA 61 13.721 3.051 10.249 498 3HB ALA 61 HB1 ALA 61 14.807 4.169 11.075 499 H LYS 62 HN LYS 62 15.062 1.674 8.121 500 HA LYS 62 HA LYS 62 17.719 1.078 9.229 501 1HB LYS 62 HB2 LYS 62 15.514 -0.803 8.399 502 2HB LYS 62 HB3 LYS 62 17.101 -1.287 8.988 503 1HG LYS 62 HG2 LYS 62 16.366 0.331 11.002 504 2HG LYS 62 HG3 LYS 62 14.775 -0.195 10.460 505 1HD LYS 62 HD2 LYS 62 16.990 -2.158 11.015 506 2HD LYS 62 HD3 LYS 62 15.927 -1.573 12.296 507 1HE LYS 62 HE2 LYS 62 15.040 -2.973 9.766 508 2HE LYS 62 HE3 LYS 62 15.154 -3.713 11.362 509 1HZ LYS 62 HZ2 LYS 62 13.568 -1.663 11.926 510 2HZ LYS 62 HZ1 LYS 62 13.149 -1.884 10.290 511 3HZ LYS 62 HZ3 LYS 62 12.973 -3.169 11.398 512 H MET 63 HN MET 63 17.183 2.396 6.573 513 HA MET 63 HA MET 63 18.201 2.450 4.556 514 1HB MET 63 HB2 MET 63 20.019 0.189 5.315 515 2HB MET 63 HB3 MET 63 20.380 1.657 4.426 516 1HG MET 63 HG2 MET 63 20.054 1.311 7.371 517 2HG MET 63 HG3 MET 63 21.460 1.884 6.482 518 1HE MET 63 HE1 MET 63 22.073 3.955 7.478 519 2HE MET 63 HE2 MET 63 21.029 5.311 7.899 520 3HE MET 63 HE3 MET 63 20.960 3.821 8.838 521 H GLU 64 HN GLU 64 15.960 0.441 4.936 522 HA GLU 64 HA GLU 64 16.643 -1.562 2.897 523 1HB GLU 64 HB2 GLU 64 14.221 -1.242 4.685 524 2HB GLU 64 HB3 GLU 64 14.367 -2.489 3.457 525 1HG GLU 64 HG2 GLU 64 16.702 -2.719 4.954 526 2HG GLU 64 HG3 GLU 64 15.447 -2.395 6.144 527 H MET 65 HN MET 65 15.655 -1.665 0.894 528 HA MET 65 HA MET 65 14.502 0.773 -0.149 529 1HB MET 65 HB2 MET 65 15.161 -1.914 -1.361 530 2HB MET 65 HB3 MET 65 14.287 -0.690 -2.269 531 1HG MET 65 HG2 MET 65 16.539 0.587 -1.165 532 2HG MET 65 HG3 MET 65 17.096 -0.949 -1.819 533 1HE MET 65 HE2 MET 65 14.626 1.769 -2.379 534 2HE MET 65 HE3 MET 65 15.744 2.797 -3.269 535 3HE MET 65 HE1 MET 65 14.474 1.921 -4.128 536 H VAL 66 HN VAL 66 12.522 1.016 0.940 537 HA VAL 66 HA VAL 66 10.491 -1.057 0.432 538 HB VAL 66 HB VAL 66 9.265 -0.059 2.383 539 1HG1 VAL 66 HG13 VAL 66 10.829 -2.098 2.405 540 2HG1 VAL 66 HG11 VAL 66 11.985 -1.035 3.205 541 3HG1 VAL 66 HG12 VAL 66 10.422 -1.356 3.951 542 1HG2 VAL 66 HG23 VAL 66 10.383 2.130 2.409 543 2HG2 VAL 66 HG21 VAL 66 10.509 1.309 3.961 544 3HG2 VAL 66 HG22 VAL 66 11.893 1.347 2.874 545 H TYR 67 HN TYR 67 8.331 -0.410 0.077 546 HA TYR 67 HA TYR 67 7.993 1.652 -1.865 547 1HB TYR 67 HB2 TYR 67 6.166 -0.323 -0.500 548 2HB TYR 67 HB3 TYR 67 5.474 0.988 -1.434 549 HD1 TYR 67 HD2 TYR 67 7.096 1.185 -3.805 550 HD2 TYR 67 HD1 TYR 67 5.822 -2.287 -1.692 551 HE1 TYR 67 HE2 TYR 67 7.246 -0.127 -5.875 552 HE2 TYR 67 HE1 TYR 67 5.955 -3.609 -3.763 553 HH TYR 67 HH TYR 67 5.862 -2.621 -6.598 554 H CYS 68 HN CYS 68 6.996 3.610 -1.690 555 HA CYS 68 HA CYS 68 5.633 4.434 0.730 556 1HB CYS 68 HB2 CYS 68 7.064 6.530 0.885 557 2HB CYS 68 HB3 CYS 68 7.812 5.045 1.436 558 HG CYS 68 HG CYS 68 8.973 5.087 -1.073 559 H LEU 69 HN LEU 69 4.659 6.647 0.452 560 HA LEU 69 HA LEU 69 3.833 6.948 -2.347 561 1HB LEU 69 HB2 LEU 69 2.433 7.134 0.107 562 2HB LEU 69 HB3 LEU 69 2.420 8.736 -0.609 563 HG LEU 69 HG LEU 69 1.406 7.875 -2.641 564 1HD1 LEU 69 HD13 LEU 69 2.131 5.266 -1.480 565 2HD1 LEU 69 HD11 LEU 69 0.574 5.353 -2.303 566 3HD1 LEU 69 HD12 LEU 69 2.048 5.788 -3.163 567 1HD2 LEU 69 HD22 LEU 69 -0.070 8.493 -0.802 568 2HD2 LEU 69 HD23 LEU 69 -0.748 7.203 -1.794 569 3HD2 LEU 69 HD21 LEU 69 -0.038 6.823 -0.223 570 HA PRO 70 HA PRO 70 6.178 10.746 -2.760 571 1HB PRO 70 HB2 PRO 70 4.867 11.694 -5.005 572 2HB PRO 70 HB3 PRO 70 6.191 10.560 -5.020 573 1HG PRO 70 HG2 PRO 70 3.443 10.081 -5.678 574 2HG PRO 70 HG3 PRO 70 4.809 8.960 -5.780 575 1HD PRO 70 HD2 PRO 70 2.713 9.140 -3.748 576 2HD PRO 70 HD3 PRO 70 3.865 7.837 -4.076 577 H ALA 71 HN ALA 71 3.183 11.401 -4.027 578 HA ALA 71 HA ALA 71 2.841 13.927 -2.748 579 1HB ALA 71 HB2 ALA 71 2.273 13.476 -5.098 580 2HB ALA 71 HB3 ALA 71 0.988 12.393 -4.567 581 3HB ALA 71 HB1 ALA 71 0.896 14.115 -4.189 582 H GLU 72 HN GLU 72 0.858 14.556 -1.656 583 HA GLU 72 HA GLU 72 -0.413 14.509 0.194 584 1HB GLU 72 HB2 GLU 72 -2.162 12.868 0.387 585 2HB GLU 72 HB3 GLU 72 -1.957 13.289 -1.305 586 1HG GLU 72 HG2 GLU 72 -1.160 11.215 -1.884 587 2HG GLU 72 HG3 GLU 72 -0.561 10.874 -0.264 588 H LEU 73 HN LEU 73 2.302 13.509 0.348 589 HA LEU 73 HA LEU 73 2.171 11.717 2.685 590 1HB LEU 73 HB2 LEU 73 3.496 11.082 0.587 591 2HB LEU 73 HB3 LEU 73 4.606 12.363 1.010 592 HG LEU 73 HG LEU 73 4.740 9.684 1.787 593 1HD1 LEU 73 HD12 LEU 73 6.449 11.757 1.688 594 2HD1 LEU 73 HD13 LEU 73 6.271 11.580 3.436 595 3HD1 LEU 73 HD11 LEU 73 6.808 10.216 2.461 596 1HD2 LEU 73 HD23 LEU 73 3.056 10.048 3.517 597 2HD2 LEU 73 HD21 LEU 73 4.632 9.659 4.195 598 3HD2 LEU 73 HD22 LEU 73 4.052 11.319 4.219 599 H GLY 74 HN GLY 74 5.185 13.003 2.737 600 1HA GLY 74 HA1 GLY 74 4.623 15.576 3.920 601 2HA GLY 74 HA2 GLY 74 5.018 14.335 5.100 602 H VAL 75 HN VAL 75 6.211 15.674 2.030 603 HA VAL 75 HA VAL 75 8.875 15.983 3.132 604 HB VAL 75 HB VAL 75 9.030 13.692 2.356 605 1HG1 VAL 75 HG23 VAL 75 7.153 14.101 0.563 606 2HG1 VAL 75 HG21 VAL 75 8.525 14.452 -0.489 607 3HG1 VAL 75 HG22 VAL 75 8.397 12.879 0.299 608 1HG2 VAL 75 HG11 VAL 75 10.900 15.417 1.938 609 2HG2 VAL 75 HG12 VAL 75 10.994 13.859 1.118 610 3HG2 VAL 75 HG13 VAL 75 10.441 15.283 0.240 611 HA PRO 76 HA PRO 76 8.046 19.452 0.344 612 1HB PRO 76 HB2 PRO 76 9.895 21.138 1.348 613 2HB PRO 76 HB3 PRO 76 8.383 20.796 2.192 614 1HG PRO 76 HG2 PRO 76 11.126 19.697 2.687 615 2HG PRO 76 HG3 PRO 76 9.896 20.213 3.858 616 1HD PRO 76 HD2 PRO 76 10.363 17.589 3.163 617 2HD PRO 76 HD3 PRO 76 8.820 18.193 3.799 618 H THR 77 HN THR 77 9.007 20.192 -1.540 619 HA THR 77 HA THR 77 11.415 18.766 -2.404 620 HB THR 77 HB THR 77 9.306 18.882 -3.803 621 HG1 THR 77 HG1 THR 77 11.233 18.332 -4.792 622 1HG2 THR 77 HG23 THR 77 8.750 21.273 -3.473 623 2HG2 THR 77 HG22 THR 77 10.146 21.699 -4.466 624 3HG2 THR 77 HG21 THR 77 8.814 20.777 -5.163 625 H THR 78 HN THR 78 13.191 19.830 -3.401 626 HA THR 78 HA THR 78 14.953 21.233 -3.359 627 HB THR 78 HB THR 78 14.528 23.567 -4.007 628 HG1 THR 78 HG1 THR 78 12.310 23.336 -2.721 629 1HG2 THR 78 HG22 THR 78 13.241 21.326 -5.427 630 2HG2 THR 78 HG21 THR 78 12.794 22.951 -5.942 631 3HG2 THR 78 HG23 THR 78 14.484 22.453 -5.962 No H/Q in entry = 631
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