NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
8527 | 1mdi | cing | 1-original | 10 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name Start of MODEL 1 Raw file had 932 H/Q atoms 1 1H MET 1 HT3 MET 1 -7.323 -3.027 7.378 2 2H MET 1 HT2 MET 1 -8.364 -2.456 8.594 3 3H MET 1 HT1 MET 1 -7.585 -1.361 7.556 4 HA MET 1 HA MET 1 -6.459 -1.321 9.648 5 1HB MET 1 HB2 MET 1 -6.004 -4.289 9.246 6 2HB MET 1 HB1 MET 1 -5.555 -3.321 10.650 7 1HG MET 1 HG2 MET 1 -7.946 -2.873 11.099 8 2HG MET 1 HG1 MET 1 -8.386 -3.868 9.710 9 1HE MET 1 HE3 MET 1 -9.708 -4.249 12.005 10 2HE MET 1 HE2 MET 1 -9.487 -5.796 12.819 11 3HE MET 1 HE1 MET 1 -8.699 -4.355 13.454 12 H VAL 2 HN VAL 2 -4.011 -1.611 9.860 13 HA VAL 2 HA VAL 2 -2.792 -1.477 7.139 14 HB VAL 2 HB VAL 2 -1.697 -0.588 9.823 15 1HG1 VAL 2 HG13 VAL 2 -0.695 -0.281 6.981 16 2HG1 VAL 2 HG12 VAL 2 -0.063 0.654 8.337 17 3HG1 VAL 2 HG11 VAL 2 0.107 -1.099 8.321 18 1HG2 VAL 2 HG22 VAL 2 -3.607 0.682 7.998 19 2HG2 VAL 2 HG21 VAL 2 -3.048 1.240 9.572 20 3HG2 VAL 2 HG23 VAL 2 -2.146 1.655 8.117 21 H LYS 3 HN LYS 3 -0.682 -2.553 6.835 22 HA LYS 3 HA LYS 3 0.068 -4.623 8.810 23 1HB LYS 3 HB2 LYS 3 -1.645 -5.710 7.303 24 2HB LYS 3 HB1 LYS 3 -0.559 -5.395 5.947 25 1HG LYS 3 HG2 LYS 3 1.206 -6.713 6.999 26 2HG LYS 3 HG1 LYS 3 0.198 -6.970 8.423 27 1HD LYS 3 HD2 LYS 3 -1.513 -8.021 6.813 28 2HD LYS 3 HD1 LYS 3 -0.203 -8.054 5.632 29 1HE LYS 3 HE2 LYS 3 -0.067 -10.171 6.668 30 2HE LYS 3 HE1 LYS 3 1.172 -9.228 7.495 31 1HZ LYS 3 HZ1 LYS 3 -0.614 -8.686 9.169 32 2HZ LYS 3 HZ3 LYS 3 -1.546 -9.909 8.452 33 3HZ LYS 3 HZ2 LYS 3 -0.054 -10.290 9.170 34 H GLN 4 HN GLN 4 2.242 -4.667 8.898 35 HA GLN 4 HA GLN 4 3.788 -3.284 6.792 36 1HB GLN 4 HB2 GLN 4 4.368 -2.676 9.030 37 2HB GLN 4 HB1 GLN 4 4.476 -4.362 9.533 38 1HG GLN 4 HG2 GLN 4 6.485 -4.713 8.340 39 2HG GLN 4 HG1 GLN 4 6.264 -3.269 7.356 40 1HE2 GLN 4 HE21 GLN 4 8.215 -2.188 8.002 41 2HE2 GLN 4 HE22 GLN 4 8.487 -1.659 9.592 42 H ILE 5 HN ILE 5 5.017 -4.320 5.317 43 HA ILE 5 HA ILE 5 5.198 -7.311 5.438 44 HB ILE 5 HB ILE 5 5.750 -5.496 3.089 45 1HG1 ILE 5 HG12 ILE 5 3.483 -5.009 3.726 46 2HG1 ILE 5 HG11 ILE 5 3.406 -6.081 2.333 47 1HG2 ILE 5 HG23 ILE 5 5.423 -8.456 3.452 48 2HG2 ILE 5 HG22 ILE 5 4.963 -7.727 1.922 49 3HG2 ILE 5 HG21 ILE 5 6.612 -7.568 2.510 50 1HD1 ILE 5 HD11 ILE 5 3.273 -7.993 4.102 51 2HD1 ILE 5 HD13 ILE 5 2.847 -6.705 5.227 52 3HD1 ILE 5 HD12 ILE 5 1.839 -7.015 3.815 53 H GLU 6 HN GLU 6 7.154 -7.765 6.462 54 HA GLU 6 HA GLU 6 9.534 -6.083 5.816 55 1HB GLU 6 HB2 GLU 6 9.360 -8.338 7.814 56 2HB GLU 6 HB1 GLU 6 10.534 -7.023 7.759 57 1HG GLU 6 HG2 GLU 6 8.693 -5.407 8.178 58 2HG GLU 6 HG1 GLU 6 7.577 -6.765 8.344 59 H SER 7 HN SER 7 8.065 -8.970 4.821 60 HA SER 7 HA SER 7 10.497 -9.719 3.328 61 1HB SER 7 HB2 SER 7 10.392 -12.077 4.115 62 2HB SER 7 HB1 SER 7 10.801 -10.953 5.406 63 HG SER 7 HG SER 7 9.190 -12.013 6.321 64 H LYS 8 HN LYS 8 10.029 -11.052 1.529 65 HA LYS 8 HA LYS 8 7.582 -10.661 0.222 66 1HB LYS 8 HB2 LYS 8 9.816 -11.562 -0.699 67 2HB LYS 8 HB1 LYS 8 9.261 -13.146 -0.168 68 1HG LYS 8 HG2 LYS 8 7.343 -13.045 -1.613 69 2HG LYS 8 HG1 LYS 8 7.639 -11.347 -1.989 70 1HD LYS 8 HD2 LYS 8 9.515 -11.827 -3.319 71 2HD LYS 8 HD1 LYS 8 9.746 -13.417 -2.597 72 1HE LYS 8 HE2 LYS 8 7.124 -13.150 -3.931 73 2HE LYS 8 HE1 LYS 8 8.488 -12.950 -5.029 74 1HZ LYS 8 HZ3 LYS 8 8.281 -15.189 -3.099 75 2HZ LYS 8 HZ2 LYS 8 7.719 -15.284 -4.700 76 3HZ LYS 8 HZ1 LYS 8 9.370 -15.028 -4.389 77 H THR 9 HN THR 9 8.407 -12.977 2.690 78 HA THR 9 HA THR 9 6.364 -14.905 2.205 79 HB THR 9 HB THR 9 7.448 -14.072 4.885 80 HG1 THR 9 HG1 THR 9 8.903 -15.885 4.397 81 1HG2 THR 9 HG23 THR 9 6.238 -16.643 3.848 82 2HG2 THR 9 HG22 THR 9 6.977 -16.458 5.438 83 3HG2 THR 9 HG21 THR 9 5.521 -15.550 5.032 84 H ALA 10 HN ALA 10 6.361 -12.026 4.307 85 HA ALA 10 HA ALA 10 3.595 -12.362 5.069 86 1HB ALA 10 HB1 ALA 10 5.735 -10.738 5.888 87 2HB ALA 10 HB3 ALA 10 4.549 -9.598 5.260 88 3HB ALA 10 HB2 ALA 10 4.103 -10.709 6.550 89 H PHE 11 HN PHE 11 5.164 -11.021 2.284 90 HA PHE 11 HA PHE 11 3.175 -9.161 1.445 91 1HB PHE 11 HB2 PHE 11 5.360 -9.321 0.310 92 2HB PHE 11 HB1 PHE 11 4.952 -10.934 -0.259 93 HD1 PHE 11 HD1 PHE 11 3.571 -7.437 -0.273 94 HD2 PHE 11 HD2 PHE 11 3.970 -11.177 -2.377 95 HE1 PHE 11 HE1 PHE 11 2.417 -6.452 -2.245 96 HE2 PHE 11 HE2 PHE 11 2.814 -10.192 -4.347 97 HZ PHE 11 HZ PHE 11 2.038 -7.829 -4.281 98 H GLN 12 HN GLN 12 3.628 -12.425 0.064 99 HA GLN 12 HA GLN 12 1.101 -12.571 -1.170 100 1HB GLN 12 HB2 GLN 12 2.499 -14.959 0.052 101 2HB GLN 12 HB1 GLN 12 1.472 -14.916 -1.381 102 1HG GLN 12 HG2 GLN 12 3.171 -13.389 -2.454 103 2HG GLN 12 HG1 GLN 12 4.223 -13.686 -1.072 104 1HE2 GLN 12 HE22 GLN 12 3.387 -17.209 -2.949 105 2HE2 GLN 12 HE21 GLN 12 2.140 -16.278 -2.276 106 H GLU 13 HN GLU 13 2.029 -13.655 2.112 107 HA GLU 13 HA GLU 13 -0.502 -14.710 2.832 108 1HB GLU 13 HB2 GLU 13 1.660 -13.399 4.486 109 2HB GLU 13 HB1 GLU 13 0.242 -14.136 5.202 110 1HG GLU 13 HG2 GLU 13 0.973 -16.223 3.704 111 2HG GLU 13 HG1 GLU 13 2.549 -15.439 3.783 112 H ALA 14 HN ALA 14 0.699 -11.371 2.857 113 HA ALA 14 HA ALA 14 -1.461 -10.218 4.326 114 1HB ALA 14 HB2 ALA 14 0.662 -9.037 3.659 115 2HB ALA 14 HB1 ALA 14 0.032 -8.944 2.014 116 3HB ALA 14 HB3 ALA 14 -0.803 -8.113 3.326 117 H LEU 15 HN LEU 15 -1.054 -10.817 0.840 118 HA LEU 15 HA LEU 15 -3.598 -9.737 0.046 119 1HB LEU 15 HB2 LEU 15 -2.216 -11.994 -1.407 120 2HB LEU 15 HB1 LEU 15 -3.163 -10.663 -2.072 121 HG LEU 15 HG LEU 15 -0.434 -10.444 -0.772 122 1HD1 LEU 15 HD12 LEU 15 -0.752 -11.342 -3.214 123 2HD1 LEU 15 HD11 LEU 15 -1.136 -9.664 -3.598 124 3HD1 LEU 15 HD13 LEU 15 0.438 -10.076 -2.917 125 1HD2 LEU 15 HD23 LEU 15 -2.415 -8.378 -1.744 126 2HD2 LEU 15 HD22 LEU 15 -1.572 -8.446 -0.196 127 3HD2 LEU 15 HD21 LEU 15 -0.688 -8.027 -1.662 128 H ASP 16 HN ASP 16 -2.547 -13.034 0.888 129 HA ASP 16 HA ASP 16 -5.063 -14.292 0.353 130 1HB ASP 16 HB2 ASP 16 -2.907 -15.514 0.669 131 2HB ASP 16 HB1 ASP 16 -2.966 -15.111 2.385 132 H ALA 17 HN ALA 17 -3.728 -12.786 3.285 133 HA ALA 17 HA ALA 17 -6.077 -13.482 4.877 134 1HB ALA 17 HB1 ALA 17 -3.731 -11.634 5.382 135 2HB ALA 17 HB3 ALA 17 -5.007 -11.936 6.561 136 3HB ALA 17 HB2 ALA 17 -3.968 -13.258 6.029 137 H ALA 18 HN ALA 18 -5.323 -11.001 2.631 138 HA ALA 18 HA ALA 18 -6.894 -8.878 3.791 139 1HB ALA 18 HB1 ALA 18 -5.654 -9.453 1.140 140 2HB ALA 18 HB3 ALA 18 -6.986 -8.296 1.137 141 3HB ALA 18 HB2 ALA 18 -5.557 -7.996 2.126 142 H GLY 19 HN GLY 19 -7.752 -11.841 2.321 143 1HA GLY 19 HA2 GLY 19 -9.914 -12.756 2.064 144 2HA GLY 19 HA1 GLY 19 -10.585 -11.222 2.613 145 H ASP 20 HN ASP 20 -11.554 -9.972 1.095 146 HA ASP 20 HA ASP 20 -10.805 -10.317 -1.789 147 1HB ASP 20 HB2 ASP 20 -13.406 -10.857 -0.443 148 2HB ASP 20 HB1 ASP 20 -13.545 -9.865 -1.890 149 H LYS 21 HN LYS 21 -11.129 -8.243 0.792 150 HA LYS 21 HA LYS 21 -12.393 -5.988 -0.488 151 1HB LYS 21 HB2 LYS 21 -10.560 -6.266 1.899 152 2HB LYS 21 HB1 LYS 21 -11.166 -4.699 1.359 153 1HG LYS 21 HG2 LYS 21 -13.436 -5.341 1.719 154 2HG LYS 21 HG1 LYS 21 -12.999 -7.039 1.906 155 1HD LYS 21 HD2 LYS 21 -11.995 -6.666 4.017 156 2HD LYS 21 HD1 LYS 21 -11.929 -4.921 3.773 157 1HE LYS 21 HE2 LYS 21 -14.138 -4.624 4.358 158 2HE LYS 21 HE1 LYS 21 -14.643 -6.173 3.686 159 1HZ LYS 21 HZ1 LYS 21 -12.946 -6.011 6.100 160 2HZ LYS 21 HZ3 LYS 21 -14.637 -5.939 6.197 161 3HZ LYS 21 HZ2 LYS 21 -13.883 -7.316 5.548 162 H LEU 22 HN LEU 22 -11.152 -3.925 -0.945 163 HA LEU 22 HA LEU 22 -9.210 -4.416 -2.955 164 1HB LEU 22 HB2 LEU 22 -10.735 -2.246 -2.119 165 2HB LEU 22 HB1 LEU 22 -9.114 -1.723 -1.722 166 HG LEU 22 HG LEU 22 -10.157 -2.560 -4.441 167 1HD1 LEU 22 HD11 LEU 22 -9.071 0.028 -3.286 168 2HD1 LEU 22 HD13 LEU 22 -9.473 -0.208 -4.983 169 3HD1 LEU 22 HD12 LEU 22 -10.736 -0.289 -3.761 170 1HD2 LEU 22 HD23 LEU 22 -7.330 -1.985 -3.495 171 2HD2 LEU 22 HD22 LEU 22 -7.896 -3.392 -4.394 172 3HD2 LEU 22 HD21 LEU 22 -7.810 -1.831 -5.181 173 H VAL 23 HN VAL 23 -6.880 -3.604 -2.852 174 HA VAL 23 HA VAL 23 -5.728 -3.556 -0.108 175 HB VAL 23 HB VAL 23 -4.627 -5.403 -2.239 176 1HG1 VAL 23 HG12 VAL 23 -3.204 -4.492 -0.295 177 2HG1 VAL 23 HG11 VAL 23 -4.221 -5.478 0.755 178 3HG1 VAL 23 HG13 VAL 23 -3.246 -6.243 -0.500 179 1HG2 VAL 23 HG21 VAL 23 -6.566 -5.969 0.020 180 2HG2 VAL 23 HG23 VAL 23 -6.803 -6.283 -1.700 181 3HG2 VAL 23 HG22 VAL 23 -5.629 -7.228 -0.783 182 H VAL 24 HN VAL 24 -4.844 -1.524 -0.284 183 HA VAL 24 HA VAL 24 -3.242 -0.873 -2.716 184 HB VAL 24 HB VAL 24 -3.948 1.027 -0.483 185 1HG1 VAL 24 HG11 VAL 24 -2.716 1.266 -3.178 186 2HG1 VAL 24 HG13 VAL 24 -3.978 2.451 -2.854 187 3HG1 VAL 24 HG12 VAL 24 -2.586 2.332 -1.788 188 1HG2 VAL 24 HG21 VAL 24 -5.612 0.277 -2.896 189 2HG2 VAL 24 HG23 VAL 24 -6.042 0.045 -1.203 190 3HG2 VAL 24 HG22 VAL 24 -5.927 1.673 -1.867 191 H VAL 25 HN VAL 25 -1.064 -0.834 -2.578 192 HA VAL 25 HA VAL 25 0.191 -1.202 0.115 193 HB VAL 25 HB VAL 25 1.505 -1.693 -2.559 194 1HG1 VAL 25 HG11 VAL 25 1.953 -2.731 0.248 195 2HG1 VAL 25 HG13 VAL 25 2.827 -3.295 -1.177 196 3HG1 VAL 25 HG12 VAL 25 2.983 -1.618 -0.652 197 1HG2 VAL 25 HG22 VAL 25 -0.347 -3.488 -0.984 198 2HG2 VAL 25 HG21 VAL 25 -0.435 -3.060 -2.688 199 3HG2 VAL 25 HG23 VAL 25 0.842 -4.131 -2.114 200 H ASP 26 HN ASP 26 1.818 0.182 0.764 201 HA ASP 26 HA ASP 26 2.338 2.559 -0.997 202 1HB ASP 26 HB2 ASP 26 1.191 3.193 1.060 203 2HB ASP 26 HB1 ASP 26 2.357 2.290 2.028 204 H PHE 27 HN PHE 27 4.222 1.917 -2.035 205 HA PHE 27 HA PHE 27 6.379 0.608 -0.525 206 1HB PHE 27 HB2 PHE 27 6.056 1.570 -3.365 207 2HB PHE 27 HB1 PHE 27 7.616 1.024 -2.763 208 HD1 PHE 27 HD2 PHE 27 4.057 -0.036 -3.271 209 HD2 PHE 27 HD1 PHE 27 8.113 -1.285 -2.546 210 HE1 PHE 27 HE2 PHE 27 3.405 -2.406 -3.688 211 HE2 PHE 27 HE1 PHE 27 7.465 -3.642 -2.963 212 HZ PHE 27 HZ PHE 27 5.109 -4.208 -3.529 213 H SER 28 HN SER 28 6.537 2.379 1.050 214 HA SER 28 HA SER 28 7.945 4.818 0.011 215 1HB SER 28 HB2 SER 28 6.384 4.372 2.566 216 2HB SER 28 HB1 SER 28 7.228 5.859 2.154 217 HG SER 28 HG SER 28 5.522 6.369 1.053 218 H ALA 29 HN ALA 29 9.826 5.509 1.151 219 HA ALA 29 HA ALA 29 11.232 3.311 2.581 220 1HB ALA 29 HB2 ALA 29 12.244 5.933 1.460 221 2HB ALA 29 HB1 ALA 29 13.252 4.694 2.205 222 3HB ALA 29 HB3 ALA 29 12.407 4.356 0.694 223 H THR 30 HN THR 30 11.581 3.422 4.742 224 HA THR 30 HA THR 30 10.328 5.463 6.331 225 HB THR 30 HB THR 30 10.624 3.189 7.178 226 HG1 THR 30 HG1 THR 30 10.601 4.883 8.693 227 1HG2 THR 30 HG22 THR 30 12.756 2.696 6.036 228 2HG2 THR 30 HG21 THR 30 13.589 3.824 7.105 229 3HG2 THR 30 HG23 THR 30 12.866 2.356 7.763 230 CH2 TRP 31 CH2 TRP 31 17.120 7.849 0.427 231 H TRP 31 HN TRP 31 13.557 5.163 5.012 232 HA TRP 31 HA TRP 31 14.642 7.221 6.834 233 1HB TRP 31 HB2 TRP 31 16.749 6.819 5.724 234 2HB TRP 31 HB1 TRP 31 15.993 5.260 6.042 235 HD1 TRP 31 HD1 TRP 31 15.203 3.824 4.008 236 HE1 TRP 31 HE1 TRP 31 15.585 4.020 1.465 237 HE3 TRP 31 HE3 TRP 31 17.009 8.596 3.764 238 HZ2 TRP 31 HZ2 TRP 31 16.522 5.959 -0.436 239 HZ3 TRP 31 HZ3 TRP 31 17.633 9.602 1.583 240 HH2 TRP 31 HH2 TRP 31 17.394 8.291 -0.519 241 H CYS 32 HN CYS 32 13.094 7.126 3.756 242 HA CYS 32 HA CYS 32 14.279 9.719 2.920 243 1HB CYS 32 HB2 CYS 32 13.777 7.648 1.408 244 2HB CYS 32 HB1 CYS 32 12.122 8.267 1.407 245 H GLY 33 HN GLY 33 13.301 11.587 3.353 246 1HA GLY 33 HA2 GLY 33 10.916 11.770 4.907 247 2HA GLY 33 HA1 GLY 33 11.732 13.122 4.135 248 HA PRO 34 HA PRO 34 8.923 13.717 0.869 249 1HB PRO 34 HB2 PRO 34 10.264 12.027 -1.185 250 2HB PRO 34 HB1 PRO 34 9.879 13.757 -1.240 251 1HG PRO 34 HG2 PRO 34 12.439 12.722 -0.805 252 2HG PRO 34 HG1 PRO 34 11.927 14.354 -0.347 253 1HD PRO 34 HD2 PRO 34 12.511 12.065 1.394 254 2HD PRO 34 HD1 PRO 34 12.279 13.764 1.851 255 H ALA 35 HN ALA 35 9.927 10.288 0.973 256 HA ALA 35 HA ALA 35 7.360 9.374 -0.073 257 1HB ALA 35 HB2 ALA 35 9.497 8.062 -0.268 258 2HB ALA 35 HB1 ALA 35 9.440 7.797 1.474 259 3HB ALA 35 HB3 ALA 35 8.171 7.141 0.440 260 H LYS 36 HN LYS 36 8.916 9.086 3.121 261 HA LYS 36 HA LYS 36 6.621 8.199 4.545 262 1HB LYS 36 HB2 LYS 36 8.963 8.102 5.371 263 2HB LYS 36 HB1 LYS 36 8.966 9.856 5.531 264 1HG LYS 36 HG2 LYS 36 7.303 9.789 7.256 265 2HG LYS 36 HG1 LYS 36 6.966 8.082 6.952 266 1HD LYS 36 HD2 LYS 36 9.244 7.484 7.661 267 2HD LYS 36 HD1 LYS 36 9.621 9.184 7.927 268 1HE LYS 36 HE2 LYS 36 7.230 8.093 9.356 269 2HE LYS 36 HE1 LYS 36 8.816 7.586 9.931 270 1HZ LYS 36 HZ3 LYS 36 9.322 10.117 9.728 271 2HZ LYS 36 HZ2 LYS 36 7.636 10.269 9.865 272 3HZ LYS 36 HZ1 LYS 36 8.525 9.507 11.096 273 H MET 37 HN MET 37 7.371 11.288 3.250 274 HA MET 37 HA MET 37 6.031 13.010 5.074 275 1HB MET 37 HB2 MET 37 7.484 13.727 3.148 276 2HB MET 37 HB1 MET 37 6.168 13.301 2.060 277 1HG MET 37 HG2 MET 37 5.678 15.545 2.344 278 2HG MET 37 HG1 MET 37 4.797 14.921 3.732 279 1HE MET 37 HE1 MET 37 4.749 17.204 4.511 280 2HE MET 37 HE3 MET 37 6.069 18.114 5.259 281 3HE MET 37 HE2 MET 37 5.923 18.048 3.504 282 H ILE 38 HN ILE 38 4.786 10.841 2.611 283 HA ILE 38 HA ILE 38 2.083 12.022 2.785 284 HB ILE 38 HB ILE 38 2.811 9.524 1.258 285 1HG1 ILE 38 HG12 ILE 38 3.352 12.410 0.493 286 2HG1 ILE 38 HG11 ILE 38 4.549 11.132 0.698 287 1HG2 ILE 38 HG21 ILE 38 0.413 10.415 1.439 288 2HG2 ILE 38 HG23 ILE 38 0.961 11.807 0.515 289 3HG2 ILE 38 HG22 ILE 38 1.023 10.194 -0.192 290 1HD1 ILE 38 HD11 ILE 38 3.126 9.889 -1.141 291 2HD1 ILE 38 HD13 ILE 38 2.551 11.515 -1.513 292 3HD1 ILE 38 HD12 ILE 38 4.271 11.138 -1.619 293 H LYS 39 HN LYS 39 3.509 10.302 5.031 294 HA LYS 39 HA LYS 39 1.764 7.999 5.142 295 1HB LYS 39 HB2 LYS 39 2.808 7.334 7.103 296 2HB LYS 39 HB1 LYS 39 4.075 8.156 6.220 297 1HG LYS 39 HG2 LYS 39 4.058 10.018 7.661 298 2HG LYS 39 HG1 LYS 39 2.462 9.649 8.308 299 1HD LYS 39 HD2 LYS 39 4.986 8.038 8.758 300 2HD LYS 39 HD1 LYS 39 4.241 9.122 9.927 301 1HE LYS 39 HE2 LYS 39 3.252 7.184 10.672 302 2HE LYS 39 HE1 LYS 39 2.126 7.481 9.347 303 1HZ LYS 39 HZ2 LYS 39 4.233 6.245 8.150 304 2HZ LYS 39 HZ1 LYS 39 4.107 5.431 9.636 305 3HZ LYS 39 HZ3 LYS 39 2.771 5.503 8.594 306 HA PRO 40 HA PRO 40 -0.626 10.651 8.353 307 1HB PRO 40 HB2 PRO 40 -0.881 13.312 7.218 308 2HB PRO 40 HB1 PRO 40 -0.194 12.851 8.783 309 1HG PRO 40 HG2 PRO 40 1.258 13.825 6.542 310 2HG PRO 40 HG1 PRO 40 1.949 13.099 8.001 311 1HD PRO 40 HD2 PRO 40 1.647 11.931 5.316 312 2HD PRO 40 HD1 PRO 40 2.686 11.398 6.639 313 H PHE 41 HN PHE 41 -0.678 10.128 5.122 314 HA PHE 41 HA PHE 41 -3.629 10.667 4.879 315 1HB PHE 41 HB2 PHE 41 -1.391 10.760 2.856 316 2HB PHE 41 HB1 PHE 41 -3.061 10.506 2.342 317 HD1 PHE 41 HD2 PHE 41 -0.779 12.835 4.149 318 HD2 PHE 41 HD1 PHE 41 -4.647 12.292 2.328 319 HE1 PHE 41 HE2 PHE 41 -1.211 15.281 4.336 320 HE2 PHE 41 HE1 PHE 41 -5.079 14.737 2.514 321 HZ PHE 41 HZ PHE 41 -3.361 16.231 3.519 322 H PHE 42 HN PHE 42 -1.374 8.661 3.006 323 HA PHE 42 HA PHE 42 -3.008 6.523 2.437 324 1HB PHE 42 HB2 PHE 42 -0.746 6.621 1.589 325 2HB PHE 42 HB1 PHE 42 -0.080 6.477 3.217 326 HD1 PHE 42 HD1 PHE 42 -2.225 4.699 0.723 327 HD2 PHE 42 HD2 PHE 42 0.364 4.344 4.149 328 HE1 PHE 42 HE1 PHE 42 -2.290 2.227 0.519 329 HE2 PHE 42 HE2 PHE 42 0.297 1.865 3.945 330 HZ PHE 42 HZ PHE 42 -1.032 0.803 2.127 331 H HIS 43 HN HIS 43 -0.914 6.623 5.343 332 HA HIS 43 HA HIS 43 -2.143 4.294 6.500 333 1HB HIS 43 HB2 HIS 43 -0.025 4.607 7.375 334 2HB HIS 43 HB1 HIS 43 -0.170 6.355 7.381 335 HD1 HIS 43 HD1 HIS 43 -0.789 3.331 9.476 336 HD2 HIS 43 HD2 HIS 43 -1.472 7.440 9.694 337 HE1 HIS 43 HE1 HIS 43 -1.516 3.810 11.856 338 H SER 44 HN SER 44 -2.942 7.711 6.597 339 HA SER 44 HA SER 44 -4.660 7.581 8.902 340 1HB SER 44 HB2 SER 44 -3.895 9.724 8.007 341 2HB SER 44 HB1 SER 44 -4.768 9.434 6.506 342 HG SER 44 HG SER 44 -5.894 9.620 9.110 343 H LEU 45 HN LEU 45 -5.270 7.112 5.416 344 HA LEU 45 HA LEU 45 -8.065 6.899 5.435 345 1HB LEU 45 HB2 LEU 45 -6.153 5.093 3.917 346 2HB LEU 45 HB1 LEU 45 -7.843 5.385 3.513 347 HG LEU 45 HG LEU 45 -5.647 7.476 3.544 348 1HD1 LEU 45 HD12 LEU 45 -7.150 6.155 1.266 349 2HD1 LEU 45 HD11 LEU 45 -6.005 7.485 1.091 350 3HD1 LEU 45 HD13 LEU 45 -5.450 5.913 1.668 351 1HD2 LEU 45 HD21 LEU 45 -8.638 7.601 3.204 352 2HD2 LEU 45 HD23 LEU 45 -7.557 8.732 4.018 353 3HD2 LEU 45 HD22 LEU 45 -7.639 8.705 2.258 354 H SER 46 HN SER 46 -5.779 4.901 7.025 355 HA SER 46 HA SER 46 -7.088 2.402 7.079 356 1HB SER 46 HB2 SER 46 -5.606 3.709 9.377 357 2HB SER 46 HB1 SER 46 -5.886 1.984 9.158 358 HG SER 46 HG SER 46 -4.814 2.916 6.928 359 H GLU 47 HN GLU 47 -7.762 5.353 8.918 360 HA GLU 47 HA GLU 47 -9.885 3.948 10.447 361 1HB GLU 47 HB2 GLU 47 -9.232 6.883 10.669 362 2HB GLU 47 HB1 GLU 47 -9.918 5.804 11.886 363 1HG GLU 47 HG2 GLU 47 -7.598 4.513 11.554 364 2HG GLU 47 HG1 GLU 47 -7.061 6.098 10.998 365 H LYS 48 HN LYS 48 -9.560 5.945 7.641 366 HA LYS 48 HA LYS 48 -12.391 6.824 7.757 367 1HB LYS 48 HB2 LYS 48 -10.526 8.302 6.859 368 2HB LYS 48 HB1 LYS 48 -10.422 7.201 5.486 369 1HG LYS 48 HG2 LYS 48 -12.711 7.650 4.859 370 2HG LYS 48 HG1 LYS 48 -12.984 8.580 6.333 371 1HD LYS 48 HD2 LYS 48 -11.195 10.177 5.575 372 2HD LYS 48 HD1 LYS 48 -11.135 9.302 4.044 373 1HE LYS 48 HE2 LYS 48 -13.519 9.781 3.662 374 2HE LYS 48 HE1 LYS 48 -13.601 10.635 5.202 375 1HZ LYS 48 HZ3 LYS 48 -11.454 11.700 3.816 376 2HZ LYS 48 HZ2 LYS 48 -12.724 11.588 2.693 377 3HZ LYS 48 HZ1 LYS 48 -12.941 12.447 4.143 378 OH TYR 49 OH TYR 49 -13.627 7.071 0.402 379 H TYR 49 HN TYR 49 -10.443 4.310 6.387 380 HA TYR 49 HA TYR 49 -12.851 3.241 4.960 381 1HB TYR 49 HB2 TYR 49 -10.022 3.544 3.937 382 2HB TYR 49 HB1 TYR 49 -11.081 2.287 3.299 383 HD1 TYR 49 HD2 TYR 49 -13.424 3.001 2.472 384 HD2 TYR 49 HD1 TYR 49 -10.172 5.761 3.093 385 HE1 TYR 49 HE2 TYR 49 -14.551 4.656 1.003 386 HE2 TYR 49 HE1 TYR 49 -11.301 7.422 1.631 387 HH TYR 49 HH TYR 49 -14.081 7.704 0.964 388 H SER 50 HN SER 50 -12.799 2.202 7.244 389 HA SER 50 HA SER 50 -10.801 0.214 7.838 390 1HB SER 50 HB2 SER 50 -12.353 -0.569 9.523 391 2HB SER 50 HB1 SER 50 -12.436 1.190 9.495 392 HG SER 50 HG SER 50 -14.434 1.046 8.860 393 H ASN 51 HN ASN 51 -13.017 0.369 5.374 394 HA ASN 51 HA ASN 51 -13.589 -2.539 5.285 395 1HB ASN 51 HB2 ASN 51 -15.287 -0.685 4.771 396 2HB ASN 51 HB1 ASN 51 -14.417 -0.455 3.255 397 1HD2 ASN 51 HD22 ASN 51 -15.957 -3.230 1.734 398 2HD2 ASN 51 HD21 ASN 51 -15.044 -1.810 1.554 399 H VAL 52 HN VAL 52 -11.105 -0.539 4.363 400 HA VAL 52 HA VAL 52 -10.403 -2.252 1.991 401 HB VAL 52 HB VAL 52 -9.617 0.605 2.624 402 1HG1 VAL 52 HG11 VAL 52 -8.681 -1.338 0.512 403 2HG1 VAL 52 HG13 VAL 52 -8.519 0.405 0.305 404 3HG1 VAL 52 HG12 VAL 52 -7.705 -0.405 1.640 405 1HG2 VAL 52 HG22 VAL 52 -11.485 -0.699 0.636 406 2HG2 VAL 52 HG21 VAL 52 -11.782 0.682 1.690 407 3HG2 VAL 52 HG23 VAL 52 -10.753 0.861 0.273 408 H ILE 53 HN ILE 53 -8.232 -2.966 1.864 409 HA ILE 53 HA ILE 53 -6.839 -3.097 4.504 410 HB ILE 53 HB ILE 53 -6.117 -4.666 2.032 411 1HG1 ILE 53 HG12 ILE 53 -8.465 -5.089 2.188 412 2HG1 ILE 53 HG11 ILE 53 -7.655 -6.484 2.876 413 1HG2 ILE 53 HG21 ILE 53 -4.844 -4.557 4.391 414 2HG2 ILE 53 HG23 ILE 53 -6.021 -5.798 4.801 415 3HG2 ILE 53 HG22 ILE 53 -4.931 -6.042 3.448 416 1HD1 ILE 53 HD11 ILE 53 -8.819 -4.226 4.549 417 2HD1 ILE 53 HD13 ILE 53 -9.670 -5.708 4.168 418 3HD1 ILE 53 HD12 ILE 53 -8.209 -5.763 5.136 419 H PHE 54 HN PHE 54 -4.974 -1.997 4.793 420 HA PHE 54 HA PHE 54 -3.597 -0.810 2.399 421 1HB PHE 54 HB2 PHE 54 -3.746 0.187 5.266 422 2HB PHE 54 HB1 PHE 54 -2.806 0.941 3.978 423 HD1 PHE 54 HD2 PHE 54 -4.127 1.489 1.764 424 HD2 PHE 54 HD1 PHE 54 -5.968 0.897 5.613 425 HE1 PHE 54 HE2 PHE 54 -6.140 2.730 0.990 426 HE2 PHE 54 HE1 PHE 54 -7.983 2.136 4.840 427 HZ PHE 54 HZ PHE 54 -8.069 3.053 2.528 428 H LEU 55 HN LEU 55 -1.509 -1.436 2.098 429 HA LEU 55 HA LEU 55 -0.158 -2.990 4.290 430 1HB LEU 55 HB2 LEU 55 -0.092 -3.200 1.287 431 2HB LEU 55 HB1 LEU 55 1.259 -3.801 2.237 432 HG LEU 55 HG LEU 55 -0.138 -5.379 3.379 433 1HD1 LEU 55 HD13 LEU 55 -2.399 -3.799 2.158 434 2HD1 LEU 55 HD12 LEU 55 -2.639 -5.473 2.655 435 3HD1 LEU 55 HD11 LEU 55 -2.156 -4.267 3.842 436 1HD2 LEU 55 HD21 LEU 55 -0.876 -5.279 0.437 437 2HD2 LEU 55 HD23 LEU 55 0.569 -6.028 1.115 438 3HD2 LEU 55 HD22 LEU 55 -1.022 -6.698 1.473 439 H GLU 56 HN GLU 56 2.323 -2.840 4.011 440 HA GLU 56 HA GLU 56 3.244 -0.186 3.044 441 1HB GLU 56 HB2 GLU 56 2.585 -0.086 5.536 442 2HB GLU 56 HB1 GLU 56 3.949 -1.164 5.823 443 1HG GLU 56 HG2 GLU 56 5.511 0.442 4.950 444 2HG GLU 56 HG1 GLU 56 4.209 1.471 4.352 445 H VAL 57 HN VAL 57 5.451 -0.267 2.407 446 HA VAL 57 HA VAL 57 6.914 -2.826 2.897 447 HB VAL 57 HB VAL 57 6.524 -1.596 0.150 448 1HG1 VAL 57 HG11 VAL 57 8.682 -2.799 0.511 449 2HG1 VAL 57 HG13 VAL 57 7.774 -4.222 1.020 450 3HG1 VAL 57 HG12 VAL 57 7.636 -3.633 -0.635 451 1HG2 VAL 57 HG23 VAL 57 5.258 -3.986 1.488 452 2HG2 VAL 57 HG22 VAL 57 4.446 -2.579 0.832 453 3HG2 VAL 57 HG21 VAL 57 5.228 -3.729 -0.251 454 H ASP 58 HN ASP 58 9.087 -2.578 3.089 455 HA ASP 58 HA ASP 58 10.189 0.188 2.904 456 1HB ASP 58 HB2 ASP 58 10.420 -1.355 4.995 457 2HB ASP 58 HB1 ASP 58 11.623 -2.222 4.040 458 H VAL 59 HN VAL 59 10.732 0.438 0.749 459 HA VAL 59 HA VAL 59 11.614 -1.573 -1.020 460 HB VAL 59 HB VAL 59 12.587 0.343 -2.345 461 1HG1 VAL 59 HG13 VAL 59 9.796 0.695 -1.210 462 2HG1 VAL 59 HG12 VAL 59 10.389 1.435 -2.697 463 3HG1 VAL 59 HG11 VAL 59 10.235 -0.316 -2.585 464 1HG2 VAL 59 HG22 VAL 59 13.185 1.649 -0.236 465 2HG2 VAL 59 HG21 VAL 59 12.390 2.581 -1.504 466 3HG2 VAL 59 HG23 VAL 59 11.471 2.041 -0.099 467 H ASP 60 HN ASP 60 13.356 -0.232 1.616 468 HA ASP 60 HA ASP 60 15.992 -0.907 0.372 469 1HB ASP 60 HB2 ASP 60 15.314 0.539 2.946 470 2HB ASP 60 HB1 ASP 60 16.947 0.251 2.342 471 H ASP 61 HN ASP 61 14.027 -1.684 3.253 472 HA ASP 61 HA ASP 61 15.988 -3.773 4.013 473 1HB ASP 61 HB2 ASP 61 15.217 -2.558 5.882 474 2HB ASP 61 HB1 ASP 61 13.549 -2.572 5.323 475 H ALA 62 HN ALA 62 13.194 -3.502 2.103 476 HA ALA 62 HA ALA 62 12.806 -6.481 2.178 477 1HB ALA 62 HB2 ALA 62 10.819 -4.260 2.355 478 2HB ALA 62 HB1 ALA 62 10.365 -5.622 1.334 479 3HB ALA 62 HB3 ALA 62 10.745 -5.882 3.035 480 H GLN 63 HN GLN 63 14.667 -5.351 0.487 481 HA GLN 63 HA GLN 63 13.744 -4.466 -2.036 482 1HB GLN 63 HB2 GLN 63 16.071 -6.298 -2.213 483 2HB GLN 63 HB1 GLN 63 15.940 -4.605 -2.678 484 1HG GLN 63 HG2 GLN 63 16.143 -3.959 -0.286 485 2HG GLN 63 HG1 GLN 63 16.344 -5.662 0.133 486 1HE2 GLN 63 HE22 GLN 63 19.804 -5.399 -0.400 487 2HE2 GLN 63 HE21 GLN 63 18.534 -5.954 0.581 488 H ASP 64 HN ASP 64 13.336 -7.528 -0.560 489 HA ASP 64 HA ASP 64 13.262 -9.135 -2.950 490 1HB ASP 64 HB2 ASP 64 11.812 -10.653 -1.449 491 2HB ASP 64 HB1 ASP 64 13.456 -10.344 -0.914 492 H VAL 65 HN VAL 65 10.841 -7.261 -1.171 493 HA VAL 65 HA VAL 65 8.654 -8.109 -2.900 494 HB VAL 65 HB VAL 65 8.754 -5.631 -1.156 495 1HG1 VAL 65 HG11 VAL 65 6.889 -5.878 -2.800 496 2HG1 VAL 65 HG13 VAL 65 6.442 -7.395 -2.025 497 3HG1 VAL 65 HG12 VAL 65 6.330 -5.880 -1.128 498 1HG2 VAL 65 HG23 VAL 65 9.283 -8.061 -0.078 499 2HG2 VAL 65 HG22 VAL 65 8.301 -6.869 0.759 500 3HG2 VAL 65 HG21 VAL 65 7.527 -8.178 -0.127 501 H ALA 66 HN ALA 66 10.650 -5.171 -2.568 502 HA ALA 66 HA ALA 66 9.494 -3.764 -4.787 503 1HB ALA 66 HB3 ALA 66 11.622 -3.362 -2.883 504 2HB ALA 66 HB2 ALA 66 12.261 -3.012 -4.487 505 3HB ALA 66 HB1 ALA 66 10.840 -2.153 -3.896 506 H SER 67 HN SER 67 12.078 -6.150 -4.533 507 HA SER 67 HA SER 67 13.161 -5.826 -7.155 508 1HB SER 67 HB2 SER 67 13.054 -8.176 -5.259 509 2HB SER 67 HB1 SER 67 13.843 -8.281 -6.830 510 HG SER 67 HG SER 67 14.612 -6.033 -5.628 511 H GLU 68 HN GLU 68 10.675 -8.090 -5.934 512 HA GLU 68 HA GLU 68 10.090 -9.214 -8.506 513 1HB GLU 68 HB2 GLU 68 9.432 -10.358 -6.462 514 2HB GLU 68 HB1 GLU 68 8.396 -9.010 -5.999 515 1HG GLU 68 HG2 GLU 68 6.684 -9.708 -7.353 516 2HG GLU 68 HG1 GLU 68 7.767 -10.033 -8.703 517 H ALA 69 HN ALA 69 8.803 -6.409 -6.762 518 HA ALA 69 HA ALA 69 6.799 -5.907 -8.873 519 1HB ALA 69 HB3 ALA 69 7.448 -4.780 -6.186 520 2HB ALA 69 HB2 ALA 69 6.711 -3.665 -7.337 521 3HB ALA 69 HB1 ALA 69 5.877 -5.153 -6.892 522 H GLU 70 HN GLU 70 10.068 -5.435 -8.565 523 HA GLU 70 HA GLU 70 11.605 -3.949 -9.548 524 1HB GLU 70 HB2 GLU 70 9.432 -3.917 -11.663 525 2HB GLU 70 HB1 GLU 70 11.131 -3.507 -11.911 526 1HG GLU 70 HG2 GLU 70 11.753 -5.810 -11.167 527 2HG GLU 70 HG1 GLU 70 10.037 -6.206 -11.067 528 H VAL 71 HN VAL 71 10.379 -2.522 -7.647 529 HA VAL 71 HA VAL 71 9.027 -0.160 -8.729 530 HB VAL 71 HB VAL 71 10.236 -0.525 -5.973 531 1HG1 VAL 71 HG13 VAL 71 8.143 1.304 -7.167 532 2HG1 VAL 71 HG12 VAL 71 8.321 1.078 -5.427 533 3HG1 VAL 71 HG11 VAL 71 9.647 1.762 -6.369 534 1HG2 VAL 71 HG21 VAL 71 8.603 -2.360 -6.650 535 2HG2 VAL 71 HG23 VAL 71 8.122 -1.415 -5.243 536 3HG2 VAL 71 HG22 VAL 71 7.380 -1.100 -6.810 537 H LYS 72 HN LYS 72 10.000 1.806 -9.210 538 HA LYS 72 HA LYS 72 12.935 2.081 -8.665 539 1HB LYS 72 HB2 LYS 72 11.641 2.843 -11.291 540 2HB LYS 72 HB1 LYS 72 13.366 2.729 -10.921 541 1HG LYS 72 HG2 LYS 72 12.986 0.269 -10.426 542 2HG LYS 72 HG1 LYS 72 11.369 0.459 -11.100 543 1HD LYS 72 HD2 LYS 72 12.331 1.201 -13.240 544 2HD LYS 72 HD1 LYS 72 13.955 1.053 -12.570 545 1HE LYS 72 HE2 LYS 72 13.123 -1.436 -12.032 546 2HE LYS 72 HE1 LYS 72 12.042 -1.106 -13.387 547 1HZ LYS 72 HZ2 LYS 72 14.614 -0.197 -14.032 548 2HZ LYS 72 HZ1 LYS 72 14.742 -1.789 -13.456 549 3HZ LYS 72 HZ3 LYS 72 13.721 -1.443 -14.765 550 H ALA 73 HN ALA 73 9.997 3.341 -8.080 551 HA ALA 73 HA ALA 73 11.138 6.011 -7.545 552 1HB ALA 73 HB3 ALA 73 9.514 5.545 -9.873 553 2HB ALA 73 HB2 ALA 73 8.572 6.527 -8.755 554 3HB ALA 73 HB1 ALA 73 10.154 7.082 -9.299 555 H THR 74 HN THR 74 10.507 6.439 -5.468 556 HA THR 74 HA THR 74 7.984 5.166 -4.479 557 HB THR 74 HB THR 74 8.953 5.690 -2.193 558 HG1 THR 74 HG1 THR 74 11.278 6.124 -2.322 559 1HG2 THR 74 HG22 THR 74 9.482 3.528 -3.766 560 2HG2 THR 74 HG21 THR 74 11.115 4.149 -3.522 561 3HG2 THR 74 HG23 THR 74 10.125 3.713 -2.134 562 HA PRO 75 HA PRO 75 6.703 5.466 -2.643 563 1HB PRO 75 HB2 PRO 75 4.064 6.390 -2.411 564 2HB PRO 75 HB1 PRO 75 5.312 6.548 -1.167 565 1HG PRO 75 HG2 PRO 75 4.144 8.652 -2.850 566 2HG PRO 75 HG1 PRO 75 5.186 8.823 -1.429 567 1HD PRO 75 HD2 PRO 75 5.930 9.122 -4.219 568 2HD PRO 75 HD1 PRO 75 6.966 9.317 -2.790 569 H THR 76 HN THR 76 5.671 3.713 -3.679 570 HA THR 76 HA THR 76 4.346 4.306 -6.312 571 HB THR 76 HB THR 76 5.494 1.604 -5.580 572 HG1 THR 76 HG1 THR 76 6.877 3.704 -6.867 573 1HG2 THR 76 HG21 THR 76 4.409 2.890 -8.023 574 2HG2 THR 76 HG23 THR 76 5.951 2.077 -8.262 575 3HG2 THR 76 HG22 THR 76 4.574 1.183 -7.626 576 H PHE 77 HN PHE 77 2.166 4.112 -6.090 577 HA PHE 77 HA PHE 77 1.106 2.367 -3.950 578 1HB PHE 77 HB2 PHE 77 -0.242 4.281 -5.863 579 2HB PHE 77 HB1 PHE 77 -1.113 3.286 -4.696 580 HD1 PHE 77 HD1 PHE 77 -0.528 3.469 -2.233 581 HD2 PHE 77 HD2 PHE 77 0.841 6.294 -5.188 582 HE1 PHE 77 HE1 PHE 77 -0.031 5.112 -0.432 583 HE2 PHE 77 HE2 PHE 77 1.334 7.942 -3.391 584 HZ PHE 77 HZ PHE 77 0.904 7.361 -1.015 585 H GLN 78 HN GLN 78 0.722 0.320 -4.354 586 HA GLN 78 HA GLN 78 0.030 -0.553 -7.138 587 1HB GLN 78 HB2 GLN 78 1.240 -2.210 -4.906 588 2HB GLN 78 HB1 GLN 78 1.084 -2.660 -6.606 589 1HG GLN 78 HG2 GLN 78 2.540 -0.537 -7.048 590 2HG GLN 78 HG1 GLN 78 2.937 -0.646 -5.332 591 1HE2 GLN 78 HE22 GLN 78 5.143 -2.834 -7.691 592 2HE2 GLN 78 HE21 GLN 78 4.454 -1.320 -8.030 593 H PHE 79 HN PHE 79 -1.887 -1.632 -7.363 594 HA PHE 79 HA PHE 79 -3.527 -2.054 -4.884 595 1HB PHE 79 HB2 PHE 79 -4.333 -1.518 -7.759 596 2HB PHE 79 HB1 PHE 79 -5.470 -1.879 -6.459 597 HD1 PHE 79 HD2 PHE 79 -2.607 0.416 -7.235 598 HD2 PHE 79 HD1 PHE 79 -6.344 -0.094 -5.205 599 HE1 PHE 79 HE2 PHE 79 -2.514 2.792 -6.515 600 HE2 PHE 79 HE1 PHE 79 -6.273 2.272 -4.458 601 HZ PHE 79 HZ PHE 79 -4.357 3.711 -5.101 602 H PHE 80 HN PHE 80 -3.939 -4.106 -4.343 603 HA PHE 80 HA PHE 80 -3.846 -6.225 -6.462 604 1HB PHE 80 HB2 PHE 80 -2.858 -6.293 -3.605 605 2HB PHE 80 HB1 PHE 80 -3.133 -7.753 -4.553 606 HD1 PHE 80 HD1 PHE 80 -1.765 -8.229 -6.579 607 HD2 PHE 80 HD2 PHE 80 -1.005 -4.814 -4.072 608 HE1 PHE 80 HE1 PHE 80 0.476 -7.954 -7.629 609 HE2 PHE 80 HE2 PHE 80 1.233 -4.537 -5.117 610 HZ PHE 80 HZ PHE 80 1.976 -6.104 -6.895 611 H LYS 81 HN LYS 81 -5.300 -8.046 -6.057 612 HA LYS 81 HA LYS 81 -7.323 -7.728 -3.945 613 1HB LYS 81 HB2 LYS 81 -7.910 -6.329 -6.108 614 2HB LYS 81 HB1 LYS 81 -8.309 -7.897 -6.798 615 1HG LYS 81 HG2 LYS 81 -10.015 -8.296 -5.168 616 2HG LYS 81 HG1 LYS 81 -9.462 -6.960 -4.158 617 1HD LYS 81 HD2 LYS 81 -10.006 -5.424 -6.150 618 2HD LYS 81 HD1 LYS 81 -10.848 -6.804 -6.847 619 1HE LYS 81 HE2 LYS 81 -11.480 -5.904 -4.037 620 2HE LYS 81 HE1 LYS 81 -12.204 -5.091 -5.420 621 1HZ LYS 81 HZ1 LYS 81 -12.269 -8.015 -5.344 622 2HZ LYS 81 HZ3 LYS 81 -13.330 -7.166 -4.329 623 3HZ LYS 81 HZ2 LYS 81 -13.386 -6.921 -6.010 624 H LYS 82 HN LYS 82 -7.667 -9.797 -3.233 625 HA LYS 82 HA LYS 82 -7.592 -12.131 -3.202 626 1HB LYS 82 HB2 LYS 82 -8.653 -11.497 -5.951 627 2HB LYS 82 HB1 LYS 82 -8.316 -13.167 -5.514 628 1HG LYS 82 HG2 LYS 82 -9.780 -12.934 -3.530 629 2HG LYS 82 HG1 LYS 82 -10.133 -11.270 -3.989 630 1HD LYS 82 HD2 LYS 82 -10.601 -13.395 -6.061 631 2HD LYS 82 HD1 LYS 82 -11.734 -13.321 -4.716 632 1HE LYS 82 HE2 LYS 82 -12.502 -11.186 -5.309 633 2HE LYS 82 HE1 LYS 82 -11.021 -10.788 -6.178 634 1HZ LYS 82 HZ1 LYS 82 -11.732 -12.713 -7.697 635 2HZ LYS 82 HZ3 LYS 82 -13.276 -12.465 -7.041 636 3HZ LYS 82 HZ2 LYS 82 -12.489 -11.203 -7.865 637 H GLY 83 HN GLY 83 -5.110 -10.684 -3.844 638 1HA GLY 83 HA2 GLY 83 -2.911 -11.483 -4.218 639 2HA GLY 83 HA1 GLY 83 -3.594 -13.004 -4.778 640 H GLN 84 HN GLN 84 -5.129 -10.517 -6.425 641 HA GLN 84 HA GLN 84 -3.222 -10.807 -8.744 642 1HB GLN 84 HB2 GLN 84 -6.209 -10.330 -8.743 643 2HB GLN 84 HB1 GLN 84 -5.188 -10.466 -10.176 644 1HG GLN 84 HG2 GLN 84 -4.479 -12.755 -9.292 645 2HG GLN 84 HG1 GLN 84 -5.797 -12.606 -8.125 646 1HE2 GLN 84 HE22 GLN 84 -7.972 -12.138 -11.266 647 2HE2 GLN 84 HE21 GLN 84 -7.328 -10.971 -10.215 648 H LYS 85 HN LYS 85 -2.756 -8.973 -9.991 649 HA LYS 85 HA LYS 85 -2.998 -6.405 -8.579 650 1HB LYS 85 HB2 LYS 85 -0.874 -7.081 -9.644 651 2HB LYS 85 HB1 LYS 85 -1.676 -7.093 -11.214 652 1HG LYS 85 HG2 LYS 85 -1.977 -4.752 -11.218 653 2HG LYS 85 HG1 LYS 85 -1.720 -4.624 -9.478 654 1HD LYS 85 HD2 LYS 85 0.230 -3.840 -10.892 655 2HD LYS 85 HD1 LYS 85 0.632 -5.085 -9.710 656 1HE LYS 85 HE2 LYS 85 0.675 -6.793 -11.381 657 2HE LYS 85 HE1 LYS 85 -0.089 -5.744 -12.574 658 1HZ LYS 85 HZ3 LYS 85 2.529 -5.103 -11.353 659 2HZ LYS 85 HZ2 LYS 85 2.395 -6.050 -12.757 660 3HZ LYS 85 HZ1 LYS 85 1.836 -4.445 -12.755 661 H VAL 86 HN VAL 86 -4.129 -4.587 -9.362 662 HA VAL 86 HA VAL 86 -5.879 -5.016 -11.763 663 HB VAL 86 HB VAL 86 -7.628 -3.680 -10.480 664 1HG1 VAL 86 HG11 VAL 86 -7.485 -6.282 -10.731 665 2HG1 VAL 86 HG13 VAL 86 -7.013 -6.257 -9.032 666 3HG1 VAL 86 HG12 VAL 86 -8.576 -5.607 -9.526 667 1HG2 VAL 86 HG21 VAL 86 -6.040 -2.795 -8.779 668 2HG2 VAL 86 HG23 VAL 86 -7.412 -3.621 -8.039 669 3HG2 VAL 86 HG22 VAL 86 -5.847 -4.426 -8.139 670 H GLY 87 HN GLY 87 -3.895 -2.829 -9.872 671 1HA GLY 87 HA2 GLY 87 -3.662 -1.013 -12.106 672 2HA GLY 87 HA1 GLY 87 -4.715 -0.332 -10.867 673 H GLU 88 HN GLU 88 -2.521 1.123 -11.282 674 HA GLU 88 HA GLU 88 -1.153 1.080 -8.760 675 1HB GLU 88 HB2 GLU 88 1.147 0.604 -9.718 676 2HB GLU 88 HB1 GLU 88 0.085 -0.797 -9.586 677 1HG GLU 88 HG2 GLU 88 -0.496 -0.643 -11.944 678 2HG GLU 88 HG1 GLU 88 0.411 0.861 -12.104 679 H PHE 89 HN PHE 89 0.241 2.902 -8.504 680 HA PHE 89 HA PHE 89 0.978 4.570 -10.711 681 1HB PHE 89 HB2 PHE 89 -0.515 6.393 -10.555 682 2HB PHE 89 HB1 PHE 89 -1.543 4.966 -10.552 683 HD1 PHE 89 HD1 PHE 89 0.146 7.418 -8.249 684 HD2 PHE 89 HD2 PHE 89 -3.075 4.599 -8.792 685 HE1 PHE 89 HE1 PHE 89 -0.850 8.137 -6.097 686 HE2 PHE 89 HE2 PHE 89 -4.077 5.339 -6.645 687 HZ PHE 89 HZ PHE 89 -2.964 7.099 -5.287 688 H SER 90 HN SER 90 2.648 5.843 -10.105 689 HA SER 90 HA SER 90 3.222 6.089 -7.173 690 1HB SER 90 HB2 SER 90 5.503 6.184 -7.730 691 2HB SER 90 HB1 SER 90 4.870 5.024 -8.894 692 HG SER 90 HG SER 90 6.225 7.027 -9.550 693 H GLY 91 HN GLY 91 4.914 8.246 -7.184 694 1HA GLY 91 HA2 GLY 91 5.045 10.601 -7.594 695 2HA GLY 91 HA1 GLY 91 3.574 10.496 -8.563 696 H ALA 92 HN ALA 92 4.594 11.972 -5.928 697 HA ALA 92 HA ALA 92 2.874 11.239 -3.801 698 1HB ALA 92 HB2 ALA 92 4.205 13.811 -4.610 699 2HB ALA 92 HB1 ALA 92 3.068 13.817 -3.261 700 3HB ALA 92 HB3 ALA 92 4.502 12.801 -3.201 701 H ASN 93 HN ASN 93 0.737 10.802 -4.438 702 HA ASN 93 HA ASN 93 -0.909 13.219 -4.962 703 1HB ASN 93 HB2 ASN 93 -0.406 11.874 -7.160 704 2HB ASN 93 HB1 ASN 93 -1.530 10.690 -6.501 705 1HD2 ASN 93 HD22 ASN 93 -2.975 14.079 -8.140 706 2HD2 ASN 93 HD21 ASN 93 -1.334 13.656 -8.224 707 H LYS 94 HN LYS 94 -1.259 12.768 -2.626 708 HA LYS 94 HA LYS 94 -2.418 10.325 -1.728 709 1HB LYS 94 HB2 LYS 94 -3.209 11.713 0.235 710 2HB LYS 94 HB1 LYS 94 -1.478 11.747 -0.076 711 1HG LYS 94 HG2 LYS 94 -2.991 13.852 -1.534 712 2HG LYS 94 HG1 LYS 94 -3.089 14.002 0.216 713 1HD LYS 94 HD2 LYS 94 -0.414 13.553 -1.109 714 2HD LYS 94 HD1 LYS 94 -1.115 15.169 -1.050 715 1HE LYS 94 HE2 LYS 94 -1.283 15.034 1.396 716 2HE LYS 94 HE1 LYS 94 -0.639 13.393 1.365 717 1HZ LYS 94 HZ3 LYS 94 1.389 14.273 0.350 718 2HZ LYS 94 HZ2 LYS 94 0.766 15.850 0.464 719 3HZ LYS 94 HZ1 LYS 94 1.100 14.961 1.873 720 H GLU 95 HN GLU 95 -3.885 13.233 -3.083 721 HA GLU 95 HA GLU 95 -6.573 12.602 -2.326 722 1HB GLU 95 HB2 GLU 95 -5.527 14.203 -4.679 723 2HB GLU 95 HB1 GLU 95 -7.203 14.184 -4.133 724 1HG GLU 95 HG2 GLU 95 -6.249 14.867 -1.819 725 2HG GLU 95 HG1 GLU 95 -4.779 15.274 -2.704 726 H LYS 96 HN LYS 96 -4.522 11.481 -4.943 727 HA LYS 96 HA LYS 96 -6.670 10.403 -6.537 728 1HB LYS 96 HB2 LYS 96 -4.575 10.752 -7.657 729 2HB LYS 96 HB1 LYS 96 -3.702 9.785 -6.466 730 1HG LYS 96 HG2 LYS 96 -4.749 7.770 -7.220 731 2HG LYS 96 HG1 LYS 96 -5.909 8.650 -8.196 732 1HD LYS 96 HD2 LYS 96 -2.931 8.834 -8.692 733 2HD LYS 96 HD1 LYS 96 -3.912 7.566 -9.419 734 1HE LYS 96 HE2 LYS 96 -5.430 9.605 -10.189 735 2HE LYS 96 HE1 LYS 96 -3.943 10.521 -9.949 736 1HZ LYS 96 HZ3 LYS 96 -3.557 8.044 -11.353 737 2HZ LYS 96 HZ2 LYS 96 -4.587 9.119 -12.170 738 3HZ LYS 96 HZ1 LYS 96 -3.016 9.604 -11.740 739 H LEU 97 HN LEU 97 -4.764 9.141 -3.799 740 HA LEU 97 HA LEU 97 -5.407 6.413 -4.087 741 1HB LEU 97 HB2 LEU 97 -5.162 8.086 -1.563 742 2HB LEU 97 HB1 LEU 97 -5.464 6.355 -1.504 743 HG LEU 97 HG LEU 97 -3.106 7.530 -2.994 744 1HD1 LEU 97 HD13 LEU 97 -3.491 7.022 -0.056 745 2HD1 LEU 97 HD12 LEU 97 -1.939 6.593 -0.753 746 3HD1 LEU 97 HD11 LEU 97 -2.514 8.240 -0.863 747 1HD2 LEU 97 HD22 LEU 97 -4.110 4.968 -3.087 748 2HD2 LEU 97 HD21 LEU 97 -2.408 5.344 -3.291 749 3HD2 LEU 97 HD23 LEU 97 -3.018 4.814 -1.727 750 H GLU 98 HN GLU 98 -7.381 9.086 -2.946 751 HA GLU 98 HA GLU 98 -9.575 7.464 -1.996 752 1HB GLU 98 HB2 GLU 98 -9.221 9.908 -1.458 753 2HB GLU 98 HB1 GLU 98 -9.744 10.283 -3.101 754 1HG GLU 98 HG2 GLU 98 -11.884 9.085 -2.662 755 2HG GLU 98 HG1 GLU 98 -11.366 8.820 -0.997 756 H ALA 99 HN ALA 99 -9.191 9.326 -5.032 757 HA ALA 99 HA ALA 99 -11.543 8.373 -6.292 758 1HB ALA 99 HB2 ALA 99 -9.997 10.272 -7.040 759 2HB ALA 99 HB1 ALA 99 -8.981 9.022 -7.758 760 3HB ALA 99 HB3 ALA 99 -10.640 9.241 -8.318 761 H THR 100 HN THR 100 -8.241 7.028 -6.316 762 HA THR 100 HA THR 100 -8.826 4.927 -8.183 763 HB THR 100 HB THR 100 -6.736 4.729 -6.010 764 HG1 THR 100 HG1 THR 100 -6.554 6.162 -8.449 765 1HG2 THR 100 HG23 THR 100 -7.178 2.850 -7.664 766 2HG2 THR 100 HG22 THR 100 -6.640 3.950 -8.933 767 3HG2 THR 100 HG21 THR 100 -5.526 3.467 -7.653 768 H ILE 101 HN ILE 101 -8.785 5.003 -4.615 769 HA ILE 101 HA ILE 101 -9.471 2.247 -4.251 770 HB ILE 101 HB ILE 101 -9.916 4.711 -2.544 771 1HG1 ILE 101 HG12 ILE 101 -8.153 2.322 -1.954 772 2HG1 ILE 101 HG11 ILE 101 -7.581 3.604 -3.017 773 1HG2 ILE 101 HG23 ILE 101 -10.684 1.833 -2.034 774 2HG2 ILE 101 HG22 ILE 101 -10.366 2.947 -0.707 775 3HG2 ILE 101 HG21 ILE 101 -11.673 3.279 -1.839 776 1HD1 ILE 101 HD13 ILE 101 -8.208 5.231 -1.114 777 2HD1 ILE 101 HD12 ILE 101 -8.322 3.799 -0.092 778 3HD1 ILE 101 HD11 ILE 101 -6.795 4.209 -0.866 779 H ASN 102 HN ASN 102 -11.559 5.162 -4.351 780 HA ASN 102 HA ASN 102 -14.028 3.721 -4.171 781 1HB ASN 102 HB2 ASN 102 -13.663 6.239 -3.881 782 2HB ASN 102 HB1 ASN 102 -13.652 6.338 -5.642 783 1HD2 ASN 102 HD22 ASN 102 -17.177 6.728 -4.225 784 2HD2 ASN 102 HD21 ASN 102 -15.709 7.455 -3.781 785 H GLU 103 HN GLU 103 -11.731 3.910 -6.677 786 HA GLU 103 HA GLU 103 -13.607 3.574 -8.892 787 1HB GLU 103 HB2 GLU 103 -11.226 4.543 -9.030 788 2HB GLU 103 HB1 GLU 103 -10.660 2.885 -8.910 789 1HG GLU 103 HG2 GLU 103 -10.982 2.616 -11.146 790 2HG GLU 103 HG1 GLU 103 -12.706 2.886 -10.925 791 H LEU 104 HN LEU 104 -11.098 1.428 -7.527 792 HA LEU 104 HA LEU 104 -12.523 -0.921 -8.635 793 1HB LEU 104 HB2 LEU 104 -9.872 -0.789 -7.176 794 2HB LEU 104 HB1 LEU 104 -10.480 -2.145 -8.112 795 HG LEU 104 HG LEU 104 -10.090 0.582 -9.362 796 1HD1 LEU 104 HD13 LEU 104 -8.048 -1.643 -9.126 797 2HD1 LEU 104 HD12 LEU 104 -7.868 -0.203 -10.128 798 3HD1 LEU 104 HD11 LEU 104 -7.946 -0.052 -8.372 799 1HD2 LEU 104 HD22 LEU 104 -11.228 -1.806 -10.327 800 2HD2 LEU 104 HD21 LEU 104 -10.663 -0.465 -11.317 801 3HD2 LEU 104 HD23 LEU 104 -9.601 -1.833 -10.991 802 H VAL 105 HN VAL 105 -13.435 0.635 -6.128 803 HA VAL 105 HA VAL 105 -12.930 -1.045 -3.859 804 HB VAL 105 HB VAL 105 -13.833 1.191 -3.541 805 1HG1 VAL 105 HG11 VAL 105 -16.119 0.130 -5.210 806 2HG1 VAL 105 HG13 VAL 105 -16.336 1.500 -4.124 807 3HG1 VAL 105 HG12 VAL 105 -15.174 1.595 -5.443 808 1HG2 VAL 105 HG21 VAL 105 -14.410 -0.693 -1.939 809 2HG2 VAL 105 HG23 VAL 105 -15.518 0.678 -1.907 810 3HG2 VAL 105 HG22 VAL 105 -15.972 -0.803 -2.750 811 1H HOH 1 H1 H2O 201 -7.901 -10.607 -1.212 812 2H HOH 1 H2 H2O 201 -6.802 -9.645 -1.611 813 1H HOH 2 H1 H2O 202 8.959 -4.144 4.555 814 2H HOH 2 H2 H2O 202 9.168 -2.657 4.742 815 1H HOH 3 H1 H2O 203 12.235 1.325 2.976 816 2H HOH 3 H2 H2O 203 12.117 1.913 1.586 817 1H HOH 4 H1 H2O 204 -9.028 -8.755 0.776 818 2H HOH 4 H2 H2O 204 -8.272 -8.409 -0.488 819 1H HOH 5 H1 H2O 205 -6.866 -12.472 0.416 820 2H HOH 5 H2 H2O 205 -7.546 -13.636 1.105 821 1H HOH 6 H1 H2O 206 -12.666 -2.840 1.040 822 2H HOH 6 H2 H2O 206 -11.485 -3.301 0.213 823 1H PHE 1 HT1 PHE 106 22.283 -0.093 6.612 824 2H PHE 1 HT3 PHE 106 23.725 0.172 5.759 825 3H PHE 1 HT2 PHE 106 23.471 0.939 7.253 826 HA PHE 1 HA PHE 106 22.103 2.507 6.413 827 1HB PHE 1 HB2 PHE 106 23.119 3.403 4.489 828 2HB PHE 1 HB1 PHE 106 24.383 2.388 5.172 829 HD1 PHE 1 HD1 PHE 106 21.719 2.524 2.569 830 HD2 PHE 1 HD2 PHE 106 25.259 0.507 3.966 831 HE1 PHE 1 HE1 PHE 106 21.843 1.271 0.428 832 HE2 PHE 1 HE2 PHE 106 25.382 -0.754 1.824 833 HZ PHE 1 HZ PHE 106 23.676 -0.371 0.054 834 NH1 ARG 2 NH2 ARG 107 14.909 0.268 8.614 835 NH2 ARG 2 NH1 ARG 107 15.400 -1.933 8.766 836 H ARG 2 HN ARG 107 20.485 3.155 4.651 837 HA ARG 2 HA ARG 107 19.166 0.813 3.352 838 1HB ARG 2 HB2 ARG 107 17.846 2.723 5.297 839 2HB ARG 2 HB1 ARG 107 16.941 1.697 4.190 840 1HG ARG 2 HG2 ARG 107 17.891 -0.307 5.203 841 2HG ARG 2 HG1 ARG 107 18.916 0.674 6.254 842 1HD ARG 2 HD2 ARG 107 17.113 1.372 7.569 843 2HD ARG 2 HD1 ARG 107 15.944 1.164 6.278 844 HE ARG 2 HE ARG 107 17.015 -1.400 6.979 845 1HH1 ARG 2 HH21 ARG 107 15.058 1.162 8.189 846 2HH1 ARG 2 HH22 ARG 107 14.213 0.162 9.324 847 1HH2 ARG 2 HH11 ARG 107 15.926 -2.726 8.460 848 2HH2 ARG 2 HH12 ARG 107 14.705 -2.037 9.478 849 H PHE 3 HN PHE 108 20.261 2.183 1.552 850 HA PHE 3 HA PHE 108 18.368 4.350 0.657 851 1HB PHE 3 HB2 PHE 108 21.362 4.085 0.412 852 2HB PHE 3 HB1 PHE 108 20.455 5.031 -0.768 853 HD1 PHE 3 HD1 PHE 108 20.806 4.609 2.968 854 HD2 PHE 3 HD2 PHE 108 19.987 7.276 -0.310 855 HE1 PHE 3 HE1 PHE 108 20.726 6.525 4.550 856 HE2 PHE 3 HE2 PHE 108 19.914 9.197 1.269 857 HZ PHE 3 HZ PHE 108 20.280 8.821 3.700 858 NH1 ARG 4 NH2 ARG 109 17.702 -3.031 -4.127 859 NH2 ARG 4 NH1 ARG 109 15.683 -3.291 -5.107 860 H ARG 4 HN ARG 109 17.662 4.221 -1.501 861 HA ARG 4 HA ARG 109 18.581 1.872 -3.100 862 1HB ARG 4 HB2 ARG 109 15.952 2.286 -1.847 863 2HB ARG 4 HB1 ARG 109 15.809 2.020 -3.569 864 1HG ARG 4 HG2 ARG 109 17.275 0.207 -1.638 865 2HG ARG 4 HG1 ARG 109 15.685 -0.095 -2.324 866 1HD ARG 4 HD2 ARG 109 17.473 0.420 -4.508 867 2HD ARG 4 HD1 ARG 109 18.259 -0.734 -3.459 868 HE ARG 4 HE ARG 109 15.408 -0.937 -4.574 869 1HH1 ARG 4 HH21 ARG 109 18.372 -2.458 -3.661 870 2HH1 ARG 4 HH22 ARG 109 17.900 -3.998 -4.290 871 1HH2 ARG 4 HH11 ARG 109 14.804 -2.913 -5.395 872 2HH2 ARG 4 HH12 ARG 109 15.890 -4.256 -5.269 873 OH TYR 5 OH TYR 110 11.343 1.194 -4.851 874 H TYR 5 HN TYR 110 15.764 3.734 -4.068 875 HA TYR 5 HA TYR 110 17.475 5.184 -6.065 876 1HB TYR 5 HB2 TYR 110 15.241 5.153 -7.445 877 2HB TYR 5 HB1 TYR 110 16.286 3.737 -7.442 878 HD1 TYR 5 HD2 TYR 110 15.745 1.809 -5.888 879 HD2 TYR 5 HD1 TYR 110 13.024 5.066 -6.601 880 HE1 TYR 5 HE2 TYR 110 13.871 0.427 -5.025 881 HE2 TYR 5 HE1 TYR 110 11.139 3.676 -5.764 882 HH TYR 5 HH TYR 110 11.593 0.869 -3.982 883 H VAL 6 HN VAL 111 15.611 6.918 -7.096 884 HA VAL 6 HA VAL 111 15.636 8.956 -5.054 885 HB VAL 6 HB VAL 111 14.076 9.159 -7.630 886 1HG1 VAL 6 HG11 VAL 111 14.188 10.993 -5.815 887 2HG1 VAL 6 HG13 VAL 111 15.870 11.197 -6.304 888 3HG1 VAL 6 HG12 VAL 111 14.573 11.468 -7.469 889 1HG2 VAL 6 HG22 VAL 111 17.079 9.284 -7.251 890 2HG2 VAL 6 HG21 VAL 111 16.187 8.146 -8.261 891 3HG2 VAL 6 HG23 VAL 111 16.234 9.855 -8.690 892 H CYS 7 HN CYS 112 13.920 10.018 -4.060 893 HA CYS 7 HA CYS 112 11.369 8.477 -3.883 894 1HB CYS 7 HB2 CYS 112 12.117 10.781 -2.081 895 2HB CYS 7 HB1 CYS 112 11.042 9.424 -1.750 896 H GLU 8 HN GLU 113 10.295 9.282 -5.747 897 HA GLU 8 HA GLU 113 10.242 12.178 -6.210 898 1HB GLU 8 HB2 GLU 113 8.529 11.471 -8.013 899 2HB GLU 8 HB1 GLU 113 10.198 10.943 -8.215 900 1HG GLU 8 HG2 GLU 113 9.725 8.736 -7.557 901 2HG GLU 8 HG1 GLU 113 8.220 9.194 -6.759 902 H GLY 9 HN GLY 114 9.244 11.585 -3.681 903 1HA GLY 9 HA2 GLY 114 6.347 11.479 -3.704 904 2HA GLY 9 HA1 GLY 114 7.357 11.955 -2.338 905 HA PRO 10 HA PRO 115 5.621 15.951 -3.737 906 1HB PRO 10 HB2 PRO 115 6.584 17.269 -1.364 907 2HB PRO 10 HB1 PRO 115 4.918 16.793 -1.723 908 1HG PRO 10 HG2 PRO 115 6.722 15.591 0.201 909 2HG PRO 10 HG1 PRO 115 5.046 15.137 -0.145 910 1HD PRO 10 HD2 PRO 115 7.471 13.730 -0.911 911 2HD PRO 10 HD1 PRO 115 5.790 13.232 -1.184 912 H SER 11 HN SER 116 8.421 14.741 -4.100 913 HA SER 11 HA SER 116 10.209 17.063 -3.916 914 1HB SER 11 HB2 SER 116 11.047 14.730 -3.572 915 2HB SER 11 HB1 SER 116 10.624 14.357 -5.240 916 HG SER 11 HG SER 116 12.169 16.626 -4.808 917 H HIS 12 HN HIS 117 8.354 15.294 -6.313 918 HA HIS 12 HA HIS 117 9.203 17.210 -8.453 919 1HB HIS 12 HB2 HIS 117 9.460 14.721 -8.834 920 2HB HIS 12 HB1 HIS 117 7.708 14.583 -8.722 921 HD1 HIS 12 HD1 HIS 117 8.604 17.729 -10.296 922 HD2 HIS 12 HD2 HIS 117 8.119 13.797 -11.591 923 HE1 HIS 12 HE1 HIS 117 8.346 17.829 -12.815 924 H GLY 13 HN GLY 118 7.435 18.074 -9.817 925 1HA GLY 13 HA2 GLY 118 4.712 17.771 -9.575 926 2HA GLY 13 HA1 GLY 118 5.109 18.806 -8.204 No H/Q in entry = 926
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